Name,Naming_system,Sf_ID,Entry_ID,Comp_ID
"propane-1,3-diamine",IUPAC,7,bmse000001,1
"propane-1,3-diamine",IUPAC_TRADITIONAL,7,bmse000001,1
"propane-1,3-diamine",IUPAC_CAS,7,bmse000001,1
"propane-1,3-diamine",IUPAC_OPENEYE,7,bmse000001,1
"propane-1,3-diamine",IUPAC_SYSTEMATIC,7,bmse000001,1
"(2R)-2,3-diphosphonooxypropanoic acid",IUPAC,30,bmse000002,1
"(2R)-2,3-diphosphonooxypropanoic acid",IUPAC_TRADITIONAL,30,bmse000002,1
"(2R)-2,3-diphosphonooxypropanoic acid",IUPAC_CAS,30,bmse000002,1
"(2R)-2,3-diphosphonooxypropanoic acid",IUPAC_OPENEYE,30,bmse000002,1
"(2R)-2,3-diphosphonooxypropanoic acid",IUPAC_SYSTEMATIC,30,bmse000002,1
2_deoxyguanosine,PUBCHEM_IUPAC_NAME,55,bmse000003,1
2_deoxyguanosine,PUBCHEM_IUPAC_TRADITIONAL_NAME,55,bmse000003,1
2_deoxyguanosine,PUBCHEM_IUPAC_OPENEYE_NAME,55,bmse000003,1
2_deoxyguanosine,PUBCHEM_IUPAC_CAS_NAME,55,bmse000003,1
2_deoxyguanosine,PUBCHEM_IUPAC_SYSTEMATIC_NAME,55,bmse000003,1
"[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,76,bmse000004,1
"[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,76,bmse000004,1
"[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,76,bmse000004,1
"[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,76,bmse000004,1
"[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,76,bmse000004,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid",IUPAC,104,bmse000005,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,104,bmse000005,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_CAS,104,bmse000005,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,104,bmse000005,1
"[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,129,bmse000006,1
"[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,129,bmse000006,1
"[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,129,bmse000006,1
"[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,129,bmse000006,1
"[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,129,bmse000006,1
(2R)-2-hydroxy-3-phosphonooxy-propanoic acid,IUPAC,155,bmse000007,1
"(3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC,177,bmse000008,1
"(3R,4R,5R,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,177,bmse000008,1
"(3R,4R,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,177,bmse000008,1
"(3R,4R,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,177,bmse000008,1
"(3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC_SYSTEMATIC,177,bmse000008,1
"(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol",IUPAC,199,bmse000010,1
"(2R,3S,4R,5R)-2,5-dimethyloltetrahydrofuran-2,3,4-triol",IUPAC_TRADITIONAL,199,bmse000010,1
"(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3,4-triol",IUPAC_CAS,199,bmse000010,1
"(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3,4-triol",IUPAC_OPENEYE,199,bmse000010,1
"(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol",IUPAC_SYSTEMATIC,199,bmse000010,1
"[(2R,3S,4R,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methoxyphosphonic acid",IUPAC,223,bmse000011,1
"[(2R,3S,4R,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,223,bmse000011,1
"[(2R,3S,4R,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_CAS,223,bmse000011,1
"[(2R,3S,4R,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,223,bmse000011,1
"[(2R,3R,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxyphosphonic acid",IUPAC,244,bmse000012,1
"[(2R,3R,4S)-3,4,5-trihydroxy-5-methylol-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,244,bmse000012,1
"[(2R,3R,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_CAS,244,bmse000012,1
"[(2R,3R,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,244,bmse000012,1
"[(2R,3R,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxyphosphonic acid",IUPAC_SYSTEMATIC,244,bmse000012,1
"(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC,271,bmse000013,1
"(2S,3R,4S,5S,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,271,bmse000013,1
"(2S,3R,4S,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,271,bmse000013,1
"(2S,3R,4S,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,271,bmse000013,1
"(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC,294,bmse000015,1
"(2S,3R,4S,5R,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,294,bmse000015,1
"(2S,3R,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,294,bmse000015,1
"(2S,3R,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,294,bmse000015,1
"[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonic acid",IUPAC,319,bmse000016,1
"[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,319,bmse000016,1
"[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxyphosphonic acid",IUPAC_CAS,319,bmse000016,1
Eugenol,Beilstein,26787,bmse010053,1
"[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,319,bmse000016,1
"(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol",IUPAC,341,bmse000017,1
"(2R,3R,4S,5R,6R)-2-methylol-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_TRADITIONAL,341,bmse000017,1
"(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_CAS,341,bmse000017,1
"(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_OPENEYE,341,bmse000017,1
"(3R,4S,5R,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-2,3,4-triol",IUPAC_SYSTEMATIC,341,bmse000017,1
"(3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC,365,bmse000018,1
"(3S,4S,5R,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,365,bmse000018,1
"(3S,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,365,bmse000018,1
"(3S,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,365,bmse000018,1
"(2R)-2,5-diaminopentanoic acid",IUPAC,388,bmse000019,1
"(2R)-2,5-diaminopentanoic acid",IUPAC_TRADITIONAL,388,bmse000019,1
"(2R)-2,5-diaminopentanoic acid",IUPAC_CAS,388,bmse000019,1
"(2R)-2,5-diaminopentanoic acid",IUPAC_OPENEYE,388,bmse000019,1
"(2R)-2,5-diaminopentanoic acid",IUPAC_SYSTEMATIC,388,bmse000019,1
"(3R,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC,412,bmse000020,1
"(3R,4R,5R)-2-methyloltetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,412,bmse000020,1
"(3R,4R,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,412,bmse000020,1
"(3R,4R,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,412,bmse000020,1
"(3R,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC_SYSTEMATIC,412,bmse000020,1
"(3R,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC,434,bmse000022,1
"(3R,4S,5R)-2-methyloltetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,434,bmse000022,1
"(3R,4S,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,434,bmse000022,1
"(3R,4S,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,434,bmse000022,1
"(3R,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC_SYSTEMATIC,434,bmse000022,1
"(3S,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC,457,bmse000023,1
"(3S,4S,5R)-2-methyloltetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,457,bmse000023,1
"(3S,4S,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,457,bmse000023,1
"(3S,4S,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,457,bmse000023,1
"(3S,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC_SYSTEMATIC,457,bmse000023,1
"(1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid",IUPAC,481,bmse000025,1
"(2S,3R,4S,5R)-oxane-2,3,4,5-tetrol",IUPAC,503,bmse000026,1
"(2S,3R,4S,5R)-tetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,503,bmse000026,1
"(2S,3R,4S,5R)-tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,503,bmse000026,1
"(2S,3R,4S,5R)-tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,503,bmse000026,1
"(2S,3R,4S,5R)-oxane-2,3,4,5-tetrol",IUPAC_SYSTEMATIC,503,bmse000026,1
"(3S,4R)-2-(hydroxymethyl)oxolane-2,3,4-triol",IUPAC,527,bmse000027,1
"(3S,4R)-2-methyloltetrahydrofuran-2,3,4-triol",IUPAC_TRADITIONAL,527,bmse000027,1
"(3S,4R)-2-(hydroxymethyl)tetrahydrofuran-2,3,4-triol",IUPAC_CAS,527,bmse000027,1
"(3S,4R)-2-(hydroxymethyl)tetrahydrofuran-2,3,4-triol",IUPAC_OPENEYE,527,bmse000027,1
"(3S,4R)-2-(hydroxymethyl)oxolane-2,3,4-triol",IUPAC_SYSTEMATIC,527,bmse000027,1
(2S)-2-aminopropanoic acid,IUPAC,548,bmse000028,1
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid,IUPAC,571,bmse000029,1
(2S)-2-amino-5-guanidino-pentanoic acid,IUPAC_TRADITIONAL,571,bmse000029,1
(2S)-2-amino-5-guanidino-pentanoic acid,IUPAC_CAS,571,bmse000029,1
(2S)-2-amino-5-guanidino-pentanoic acid,IUPAC_OPENEYE,571,bmse000029,1
(2S)-2-amino-3-carbamoyl-propanoic acid,IUPAC,596,bmse000030,1
(2S)-2-amino-3-aminocarbonyl-propanoic acid,IUPAC_SYSTEMATIC,596,bmse000030,1
(2S)-2-aminobutanedioic acid,IUPAC,621,bmse000031,1
(2S)-2-aminosuccinic acid,IUPAC_TRADITIONAL,621,bmse000031,1
(2S)-2-amino-5-(carbamoylamino)pentanoic acid,IUPAC,644,bmse000032,1
(2S)-2-amino-5-ureido-pentanoic acid,IUPAC_TRADITIONAL,644,bmse000032,1
(2S)-2-amino-5-ureido-pentanoic acid,IUPAC_CAS,644,bmse000032,1
(2S)-2-amino-5-ureido-pentanoic acid,IUPAC_OPENEYE,644,bmse000032,1
(2S)-2-amino-5-(aminocarbonylamino)pentanoic acid,IUPAC_SYSTEMATIC,644,bmse000032,1
(2S)-2-amino-4-[(2S)-2-amino-2-carboxy-ethyl]sulfanyl-butanoic acid,IUPAC,669,bmse000033,1
(2S)-2-amino-4-[(2S)-2-amino-2-carboxy-ethyl]thio-butanoic acid,IUPAC_TRADITIONAL,669,bmse000033,1
(2S)-2-amino-4-[(2S)-2-amino-2-carboxy-ethyl]thio-butanoic acid,IUPAC_CAS,669,bmse000033,1
(2S)-2-amino-4-[(2S)-2-amino-2-carboxy-ethyl]sulfanyl-butanoic acid,IUPAC_OPENEYE,669,bmse000033,1
(2S)-2-amino-4-[(2S)-2-amino-2-carboxy-ethyl]sulfanyl-butanoic acid,IUPAC_SYSTEMATIC,669,bmse000033,1
(2R)-2-amino-3-sulfanyl-propanoic acid,IUPAC,691,bmse000034,1
(2R)-2-amino-3-mercapto-propanoic acid,IUPAC_TRADITIONAL,691,bmse000034,1
(2R)-2-amino-3-mercapto-propanoic acid,IUPAC_CAS,691,bmse000034,1
(2R)-2-amino-3-[(2R)-2-amino-2-carboxy-ethyl]disulfanyl-propanoic acid,IUPAC,715,bmse000035,1
(2R)-2-amino-3-[(2R)-2-amino-2-carboxy-ethyl]disulfanyl-propanoic acid,IUPAC_TRADITIONAL,715,bmse000035,1
(2R)-2-amino-3-[(2R)-2-amino-2-carboxy-ethyl]disulfanyl-propanoic acid,IUPAC_CAS,715,bmse000035,1
(2R)-2-amino-3-[(2R)-2-amino-2-carboxy-ethyl]disulfanyl-propanoic acid,IUPAC_OPENEYE,715,bmse000035,1
(2R)-2-amino-3-[(2R)-2-amino-2-carboxy-ethyl]disulfanyl-propanoic acid,IUPAC_SYSTEMATIC,715,bmse000035,1
"(3S,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol",IUPAC,742,bmse000036,1
"(3S,4R,5R,6S)-6-methyltetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,742,bmse000036,1
"(3S,4R,5R,6S)-6-methyltetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,742,bmse000036,1
"(3S,4R,5R,6S)-6-methyltetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,742,bmse000036,1
2-aminopentanedioic acid,IUPAC,764,bmse000037,1
2-aminoglutaric acid,IUPAC_TRADITIONAL,764,bmse000037,1
2-aminopentanedioic acid,IUPAC_CAS,764,bmse000037,1
2-aminopentanedioic acid,IUPAC_OPENEYE,764,bmse000037,1
2-aminopentanedioic acid,IUPAC_SYSTEMATIC,764,bmse000037,1
(2S)-2-amino-4-carbamoyl-butanoic acid,IUPAC,789,bmse000038,1
2-amino-4-carbamoyl-butanoic acid,IUPAC_TRADITIONAL,789,bmse000038,1
2-amino-4-carbamoyl-butanoic acid,IUPAC_CAS,789,bmse000038,1
2-amino-4-carbamoyl-butanoic acid,IUPAC_OPENEYE,789,bmse000038,1
(2S)-2-amino-4-aminocarbonyl-butanoic acid,IUPAC_SYSTEMATIC,789,bmse000038,1
(2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid,IUPAC,812,bmse000039,1
(2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_TRADITIONAL,812,bmse000039,1
(2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_CAS,812,bmse000039,1
(2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_OPENEYE,812,bmse000039,1
(2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_SYSTEMATIC,812,bmse000039,1
(2S)-2-amino-4-hydroxy-butanoic acid,IUPAC,833,bmse000040,1
"(2S,3S)-2-amino-3-methyl-pentanoic acid",IUPAC,855,bmse000041,1
(2S)-2-amino-4-methyl-pentanoic acid,IUPAC,878,bmse000042,1
"(2S)-2,6-diaminohexanoic acid",IUPAC,902,bmse000043,1
(2S)-2-amino-4-methylsulfanyl-butanoic acid,IUPAC,926,bmse000044,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC,951,bmse000045,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC_TRADITIONAL,951,bmse000045,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC_CAS,951,bmse000045,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC_OPENEYE,951,bmse000045,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC_SYSTEMATIC,951,bmse000045,1
2-hydroxybutanedioic acid,IUPAC,976,bmse000046,1
2-hydroxysuccinic acid,IUPAC_TRADITIONAL,976,bmse000046,1
2-hydroxybutanedioic acid,IUPAC_CAS,976,bmse000046,1
2-hydroxybutanedioic acid,IUPAC_OPENEYE,976,bmse000046,1
2-hydroxybutanedioic acid,IUPAC_SYSTEMATIC,976,bmse000046,1
(2R)-pyrrolidine-2-carboxylic acid,IUPAC,1000,bmse000047,1
(2R)-pyrrolidine-2-carboxylic acid,IUPAC_TRADITIONAL,1000,bmse000047,1
(2R)-pyrrolidine-2-carboxylic acid,IUPAC_CAS,1000,bmse000047,1
(2R)-pyrrolidine-2-carboxylic acid,IUPAC_OPENEYE,1000,bmse000047,1
(2R)-pyrrolidine-2-carboxylic acid,IUPAC_SYSTEMATIC,1000,bmse000047,1
(2S)-2-amino-3-hydroxy-propanoic acid,IUPAC,1024,bmse000048,1
"(2S,3R)-2-amino-3-hydroxy-butanoic acid",IUPAC,1045,bmse000049,1
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,IUPAC,1066,bmse000050,1
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,IUPAC_TRADITIONAL,1066,bmse000050,1
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,IUPAC_CAS,1066,bmse000050,1
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,IUPAC_OPENEYE,1066,bmse000050,1
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,IUPAC_SYSTEMATIC,1066,bmse000050,1
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid,IUPAC,1086,bmse000051,1
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid,IUPAC_TRADITIONAL,1086,bmse000051,1
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid,IUPAC_CAS,1086,bmse000051,1
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid,IUPAC_OPENEYE,1086,bmse000051,1
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid,IUPAC_SYSTEMATIC,1086,bmse000051,1
(2S)-2-amino-3-methyl-butanoic acid,IUPAC,1114,bmse000052,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[[(2R,3R,4R,5R)-5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-phosphinic acid",IUPAC,1135,bmse000053,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[(2R,3R,4R,5R)-5-(5-carbamoyl-1-pyridyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-phosphinic acid",IUPAC_TRADITIONAL,1135,bmse000053,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[(2R,3R,4R,5R)-5-(5-carbamoyl-1-pyridyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-phosphinic acid",IUPAC_CAS,1135,bmse000053,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[(2R,3R,4R,5R)-5-(5-carbamoyl-1-pyridyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-phosphinic acid",IUPAC_OPENEYE,1135,bmse000053,1
"[[(2R,3R,4R,5R)-5-(5-aminocarbonylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]phosphinic acid",IUPAC_SYSTEMATIC,1135,bmse000053,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[[(2R,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid",IUPAC,1161,bmse000054,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[(2R,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid",IUPAC_TRADITIONAL,1161,bmse000054,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[(2R,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid",IUPAC_CAS,1161,bmse000054,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[(2R,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid",IUPAC_OPENEYE,1161,bmse000054,1
"[[(2R,3R,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]phosphinic acid",IUPAC_SYSTEMATIC,1161,bmse000054,1
4-aminobenzoic acid,IUPAC_SYSTEMATIC,1452,bmse000066,1
2-aminobenzoic acid,IUPAC,1475,bmse000067,1
"[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid",IUPAC,1189,bmse000055,1
"[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxyphosphonic acid",IUPAC_TRADITIONAL,1189,bmse000055,1
"[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxyphosphonic acid",IUPAC_CAS,1189,bmse000055,1
"[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxyphosphonic acid",IUPAC_OPENEYE,1189,bmse000055,1
"[(2R,3R,4R,5R)-5-[[[[(2R,3R,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-2-(6-aminopurin-9-yl)-4-hydroxy-oxolan-3-yl]oxyphosphonic acid",IUPAC_SYSTEMATIC,1189,bmse000055,1
"N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide",IUPAC,1216,bmse000056,1
"N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide",IUPAC_TRADITIONAL,1216,bmse000056,1
"N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide",IUPAC_CAS,1216,bmse000056,1
"N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide",IUPAC_OPENEYE,1216,bmse000056,1
"N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",IUPAC_SYSTEMATIC,1216,bmse000056,1
"(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid",IUPAC,1238,bmse000057,1
"(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid",IUPAC_TRADITIONAL,1238,bmse000057,1
"(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid",IUPAC_CAS,1238,bmse000057,1
"(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid",IUPAC_OPENEYE,1238,bmse000057,1
"(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid",IUPAC_SYSTEMATIC,1238,bmse000057,1
4-[(3S)-3-amino-3-carboxy-propoxy]-4-oxo-butanoic acid,IUPAC,1260,bmse000058,1
4-[(3S)-3-amino-3-carboxy-propoxy]-4-oxo-butanoic acid,IUPAC_TRADITIONAL,1260,bmse000058,1
4-[(3S)-3-amino-3-carboxy-propoxy]-4-oxo-butanoic acid,IUPAC_CAS,1260,bmse000058,1
4-[(3S)-3-amino-3-carboxy-propoxy]-4-oxo-butanoic acid,IUPAC_OPENEYE,1260,bmse000058,1
4-[(3S)-3-amino-3-carboxy-propoxy]-4-oxo-butanoic acid,IUPAC_SYSTEMATIC,1260,bmse000058,1
"(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl-methyl-sulfonio]butanoate",IUPAC,1282,bmse000059,1
"(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-sulfonio]butanoate",IUPAC_TRADITIONAL,1282,bmse000059,1
"(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-sulfonio]butanoate",IUPAC_CAS,1282,bmse000059,1
"(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-sulfonio]butanoate",IUPAC_OPENEYE,1282,bmse000059,1
"(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl-methyl-sulfonio]butanoate",IUPAC_SYSTEMATIC,1282,bmse000059,1
7H-purin-6-amine,IUPAC,1303,bmse000060,1
7H-purin-6-amine,IUPAC_TRADITIONAL,1303,bmse000060,1
7H-purin-6-amine,IUPAC_CAS,1303,bmse000060,1
7H-purin-6-amine,IUPAC_OPENEYE,1303,bmse000060,1
7H-purin-6-amine,IUPAC_SYSTEMATIC,1303,bmse000060,1
"(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",IUPAC,1330,bmse000061,1
"(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol",IUPAC_TRADITIONAL,1330,bmse000061,1
"(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol",IUPAC_CAS,1330,bmse000061,1
"(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol",IUPAC_OPENEYE,1330,bmse000061,1
"(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",IUPAC_SYSTEMATIC,1330,bmse000061,1
"pentane-1,2,3,4,5-pentol",IUPAC,1356,bmse000062,1
"pentane-1,2,3,4,5-pentol",IUPAC_TRADITIONAL,1356,bmse000062,1
"pentane-1,2,3,4,5-pentol",IUPAC_CAS,1356,bmse000062,1
"pentane-1,2,3,4,5-pentol",IUPAC_OPENEYE,1356,bmse000062,1
"pentane-1,2,3,4,5-pentol",IUPAC_SYSTEMATIC,1356,bmse000062,1
2-(4-aminobutyl)guanidine,IUPAC,1379,bmse000063,1
2-(4-aminobutyl)guanidine,IUPAC_TRADITIONAL,1379,bmse000063,1
2-(4-aminobutyl)guanidine,IUPAC_CAS,1379,bmse000063,1
2-(4-aminobutyl)guanidine,IUPAC_OPENEYE,1379,bmse000063,1
2-(4-aminobutyl)guanidine,IUPAC_SYSTEMATIC,1379,bmse000063,1
2-oxopentanedioic acid,IUPAC,1403,bmse000064,1
2-oxoglutaric acid,IUPAC_TRADITIONAL,1403,bmse000064,1
2-oxopentanedioic acid,IUPAC_CAS,1403,bmse000064,1
2-oxopentanedioic acid,IUPAC_OPENEYE,1403,bmse000064,1
2-oxopentanedioic acid,IUPAC_SYSTEMATIC,1403,bmse000064,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol",IUPAC,1428,bmse000065,1
"(2R,3S,4S,5R,6S)-2-methylol-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_TRADITIONAL,1428,bmse000065,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_CAS,1428,bmse000065,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_OPENEYE,1428,bmse000065,1
4-aminobenzoic acid,IUPAC,1452,bmse000066,1
4-aminobenzoic acid,IUPAC_TRADITIONAL,1452,bmse000066,1
4-aminobenzoic acid,IUPAC_CAS,1452,bmse000066,1
4-aminobenzoic acid,IUPAC_OPENEYE,1452,bmse000066,1
2-aminobenzoic acid,IUPAC_TRADITIONAL,1475,bmse000067,1
2-aminobenzoic acid,IUPAC_CAS,1475,bmse000067,1
2-aminobenzoic acid,IUPAC_OPENEYE,1475,bmse000067,1
2-aminobenzoic acid,IUPAC_SYSTEMATIC,1475,bmse000067,1
"(2S,4S)-pentane-1,2,3,4,5-pentol",IUPAC,1498,bmse000068,1
"(2S,4S)-pentane-1,2,3,4,5-pentol",IUPAC_TRADITIONAL,1498,bmse000068,1
"(2S,4S)-pentane-1,2,3,4,5-pentol",IUPAC_CAS,1498,bmse000068,1
"(2S,4S)-pentane-1,2,3,4,5-pentol",IUPAC_OPENEYE,1498,bmse000068,1
"(2S,4S)-pentane-1,2,3,4,5-pentol",IUPAC_SYSTEMATIC,1498,bmse000068,1
2-trimethylammonioacetate,IUPAC,1520,bmse000069,1
2-trimethylammonioacetate,IUPAC_TRADITIONAL,1520,bmse000069,1
2-trimethylammonioacetate,IUPAC_CAS,1520,bmse000069,1
2-trimethylammonioacetate,IUPAC_OPENEYE,1520,bmse000069,1
2-trimethylammonioethanoate,IUPAC_SYSTEMATIC,1520,bmse000069,1
trimethyl-(2-oxoethyl)azanium,IUPAC,1544,bmse000070,1
trimethyl-(2-oxoethyl)ammonium,IUPAC_TRADITIONAL,1544,bmse000070,1
trimethyl-(2-oxoethyl)ammonium,IUPAC_CAS,1544,bmse000070,1
trimethyl-(2-oxoethyl)ammonium,IUPAC_OPENEYE,1544,bmse000070,1
trimethyl-(2-oxoethyl)azanium,IUPAC_SYSTEMATIC,1544,bmse000070,1
"(1R,6R,7R,8R)-8-(6-aminopurin-9-yl)-4-hydroxy-4-oxo-3,5,9-trioxa-3λ5-phosphabicyclo[4.3.0]nonan-7-ol",IUPAC,1566,bmse000071,1
"(1R,6R,7R,8R)-8-(6-aminopurin-9-yl)-4-hydroxy-4-oxo-3,5,9-trioxa-3λ5-phosphabicyclo[4.3.0]nonan-7-ol",IUPAC_TRADITIONAL,1566,bmse000071,1
"(1R,6R,7R,8R)-8-(6-aminopurin-9-yl)-4-hydroxy-4-oxo-3,5,9-trioxa-3λ5-phosphabicyclo[4.3.0]nonan-7-ol",IUPAC_CAS,1566,bmse000071,1
"(1R,6R,7R,8R)-8-(6-aminopurin-9-yl)-4-hydroxy-4-oxo-3,5,9-trioxa-3λ5-phosphabicyclo[4.3.0]nonan-7-ol",IUPAC_OPENEYE,1566,bmse000071,1
"(1R,6R,7R,8R)-8-(6-aminopurin-9-yl)-4-hydroxy-4-oxo-3,5,9-trioxa-3λ5-phosphabicyclo[4.3.0]nonan-7-ol",IUPAC_SYSTEMATIC,1566,bmse000071,1
"pentane-1,5-diamine",IUPAC,1588,bmse000072,1
"pentane-1,5-diamine",IUPAC_TRADITIONAL,1588,bmse000072,1
"pentane-1,5-diamine",IUPAC_CAS,1588,bmse000072,1
"pentane-1,5-diamine",IUPAC_OPENEYE,1588,bmse000072,1
"pentane-1,5-diamine",IUPAC_SYSTEMATIC,1588,bmse000072,1
(2S)-2-amino-4-(diaminomethylideneamino)oxy-butanoic acid,IUPAC,1608,bmse000073,1
(2S)-2-amino-4-guanidinooxy-butanoic acid,IUPAC_TRADITIONAL,1608,bmse000073,1
(2S)-2-amino-4-guanidinooxy-butanoic acid,IUPAC_CAS,1608,bmse000073,1
(2S)-2-amino-4-guanidinooxy-butanoic acid,IUPAC_OPENEYE,1608,bmse000073,1
3-hydroxy-4-trimethylammonio-butanoate,IUPAC,1631,bmse000074,1
3-hydroxy-4-trimethylammonio-butanoate,IUPAC_TRADITIONAL,1631,bmse000074,1
3-hydroxy-4-trimethylammonio-butanoate,IUPAC_CAS,1631,bmse000074,1
3-hydroxy-4-trimethylammonio-butanoate,IUPAC_OPENEYE,1631,bmse000074,1
3-hydroxy-4-trimethylammonio-butanoate,IUPAC_SYSTEMATIC,1631,bmse000074,1
"(3R,4R)-3-(1-carboxyethenoxy)-4-hydroxy-cyclohexa-1,5-diene-1-carboxylic acid",IUPAC,1655,bmse000075,1
"(3R,4R)-3-(1-carboxyethenoxy)-4-hydroxy-cyclohexa-1,5-diene-1-carboxylic acid",IUPAC_TRADITIONAL,1655,bmse000075,1
"(3R,4R)-3-(1-carboxyethenoxy)-4-hydroxy-cyclohexa-1,5-diene-1-carboxylic acid",IUPAC_CAS,1655,bmse000075,1
"(3R,4R)-3-(1-carboxyethenoxy)-4-hydroxy-cyclohexa-1,5-diene-1-carboxylic acid",IUPAC_OPENEYE,1655,bmse000075,1
"(3R,4R)-3-(1-carboxyethenoxy)-4-hydroxy-cyclohexa-1,5-diene-1-carboxylic acid",IUPAC_SYSTEMATIC,1655,bmse000075,1
"2-hydroxypropane-1,2,3-tricarboxylic acid",IUPAC,1677,bmse000076,1
citric acid,IUPAC_TRADITIONAL,1677,bmse000076,1
citric acid,IUPAC_CAS,1677,bmse000076,1
citric acid,IUPAC_OPENEYE,1677,bmse000076,1
"2-hydroxypropane-1,2,3-tricarboxylic acid",IUPAC_SYSTEMATIC,1677,bmse000076,1
chromen-2-one,IUPAC,1701,bmse000077,1
chromen-2-one,IUPAC_TRADITIONAL,1701,bmse000077,1
chromen-2-one,IUPAC_CAS,1701,bmse000077,1
chromen-2-one,IUPAC_OPENEYE,1701,bmse000077,1
chromen-2-one,IUPAC_SYSTEMATIC,1701,bmse000077,1
2-(carbamimidoyl-methyl-amino)acetic acid,IUPAC,1723,bmse000078,1
2-(amidino-methyl-amino)acetic acid,IUPAC_TRADITIONAL,1723,bmse000078,1
2-(amidino-methyl-amino)acetic acid,IUPAC_CAS,1723,bmse000078,1
2-(amidino-methyl-amino)acetic acid,IUPAC_OPENEYE,1723,bmse000078,1
2-(carbamimidoyl-methyl-amino)ethanoic acid,IUPAC_SYSTEMATIC,1723,bmse000078,1
2-[methyl-(N'-phosphonocarbamimidoyl)amino]acetic acid,IUPAC,1747,bmse000079,1
2-[methyl-(N'-phosphonocarbamimidoyl)amino]acetic acid,IUPAC_TRADITIONAL,1747,bmse000079,1
2-[(amino-phosphonoimino-methyl)-methyl-amino]acetic acid,IUPAC_CAS,1747,bmse000079,1
2-[methyl-(N'-phosphonocarbamimidoyl)amino]acetic acid,IUPAC_OPENEYE,1747,bmse000079,1
2-[methyl-(N'-phosphonocarbamimidoyl)amino]ethanoic acid,IUPAC_SYSTEMATIC,1747,bmse000079,1
"2,5-dihydro-1H-pyrrole-2-carboxylic acid",IUPAC,1768,bmse000080,1
"2,5-dihydro-1H-pyrrole-2-carboxylic acid",IUPAC_TRADITIONAL,1768,bmse000080,1
"2,5-dihydro-1H-pyrrole-2-carboxylic acid",IUPAC_CAS,1768,bmse000080,1
"2,5-dihydro-1H-pyrrole-2-carboxylic acid",IUPAC_OPENEYE,1768,bmse000080,1
"2,5-dihydro-1H-pyrrole-2-carboxylic acid",IUPAC_SYSTEMATIC,1768,bmse000080,1
but-2-enedioic acid,IUPAC,1790,bmse000083,1
"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid",IUPAC,1812,bmse000084,1
"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid",IUPAC_TRADITIONAL,1812,bmse000084,1
"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid",IUPAC_CAS,1812,bmse000084,1
"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid",IUPAC_OPENEYE,1812,bmse000084,1
"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid",IUPAC_SYSTEMATIC,1812,bmse000084,1
"[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid",IUPAC,1834,bmse000086,1
"[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphosphonic acid",IUPAC_TRADITIONAL,1834,bmse000086,1
"[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphosphonic acid",IUPAC_CAS,1834,bmse000086,1
"[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphosphonic acid",IUPAC_OPENEYE,1834,bmse000086,1
"[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phosphonooxy-oxan-2-yl]methoxyphosphonic acid",IUPAC,1856,bmse000087,1
"[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phosphonooxy-tetrahydropyran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,1856,bmse000087,1
"[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phosphonooxy-tetrahydropyran-2-yl]methoxyphosphonic acid",IUPAC_CAS,1856,bmse000087,1
"[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phosphonooxy-tetrahydropyran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,1856,bmse000087,1
2-aminoacetic acid,IUPAC,1878,bmse000089,1
2-aminoacetic acid,IUPAC_TRADITIONAL,1878,bmse000089,1
2-aminoacetic acid,IUPAC_CAS,1878,bmse000089,1
2-aminoacetic acid,IUPAC_OPENEYE,1878,bmse000089,1
2-aminoethanoic acid,IUPAC_SYSTEMATIC,1878,bmse000089,1
"2-amino-3,7-dihydropurin-6-one",IUPAC,1901,bmse000090,1
"2-amino-3,7-dihydropurin-6-one",IUPAC_TRADITIONAL,1901,bmse000090,1
"2-amino-3,7-dihydropurin-6-one",IUPAC_CAS,1901,bmse000090,1
"2-amino-3,7-dihydropurin-6-one",IUPAC_OPENEYE,1901,bmse000090,1
"2-amino-3,7-dihydropurin-6-one",IUPAC_SYSTEMATIC,1901,bmse000090,1
"2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one",IUPAC,1923,bmse000091,1
"2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one",IUPAC_TRADITIONAL,1923,bmse000091,1
"2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one",IUPAC_CAS,1923,bmse000091,1
"2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one",IUPAC_OPENEYE,1923,bmse000091,1
"2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one",IUPAC_SYSTEMATIC,1923,bmse000091,1
4-hydroxybenzoic acid,IUPAC,1950,bmse000092,1
4-hydroxybenzoic acid,IUPAC_TRADITIONAL,1950,bmse000092,1
4-hydroxybenzoic acid,IUPAC_CAS,1950,bmse000092,1
4-hydroxybenzoic acid,IUPAC_OPENEYE,1950,bmse000092,1
4-hydroxybenzoic acid,IUPAC_SYSTEMATIC,1950,bmse000092,1
(E)-3-(3-hydroxyphenyl)prop-2-enoic acid,IUPAC,1971,bmse000093,1
(E)-3-(3-hydroxyphenyl)acrylic acid,IUPAC_TRADITIONAL,1971,bmse000093,1
(E)-3-(3-hydroxyphenyl)prop-2-enoic acid,IUPAC_CAS,1971,bmse000093,1
(E)-3-(3-hydroxyphenyl)prop-2-enoic acid,IUPAC_OPENEYE,1971,bmse000093,1
(E)-3-(3-hydroxyphenyl)prop-2-enoic acid,IUPAC_SYSTEMATIC,1971,bmse000093,1
"3,7-dihydropurin-6-one",IUPAC,1993,bmse000094,1
"3,7-dihydropurin-6-one",IUPAC_TRADITIONAL,1993,bmse000094,1
"3,7-dihydropurin-6-one",IUPAC_CAS,1993,bmse000094,1
"3,7-dihydropurin-6-one",IUPAC_OPENEYE,1993,bmse000094,1
"3,7-dihydropurin-6-one",IUPAC_SYSTEMATIC,1993,bmse000094,1
"butane-1,2,3,4-tetrol",IUPAC,2015,bmse000095,1
"butane-1,2,3,4-tetrol",IUPAC_TRADITIONAL,2015,bmse000095,1
"butane-1,2,3,4-tetrol",IUPAC_CAS,2015,bmse000095,1
"butane-1,2,3,4-tetrol",IUPAC_OPENEYE,2015,bmse000095,1
"butane-1,2,3,4-tetrol",IUPAC_SYSTEMATIC,2015,bmse000095,1
1H-imidazole,IUPAC,2037,bmse000096,1
1H-imidazole,IUPAC_TRADITIONAL,2037,bmse000096,1
1H-imidazole,IUPAC_CAS,2037,bmse000096,1
1H-imidazole,IUPAC_OPENEYE,2037,bmse000096,1
1H-imidazole,IUPAC_SYSTEMATIC,2037,bmse000096,1
1H-indole,IUPAC,2059,bmse000097,1
1H-indole,IUPAC_TRADITIONAL,2059,bmse000097,1
1H-indole,IUPAC_CAS,2059,bmse000097,1
1H-indole,IUPAC_OPENEYE,2059,bmse000097,1
1H-indole,IUPAC_SYSTEMATIC,2059,bmse000097,1
inosine,PUBCHEM_IUPAC_NAME,2081,bmse000098,1
inosine,PUBCHEM_IUPAC_TRADITIONAL_NAME,2081,bmse000098,1
inosine,PUBCHEM_IUPAC_OPENEYE_NAME,2081,bmse000098,1
inosine,PUBCHEM_IUPAC_CAS_NAME,2081,bmse000098,1
inosine,PUBCHEM_IUPAC_SYSTEMATIC_NAME,2081,bmse000098,1
"(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol",IUPAC,2106,bmse000099,1
"hexane-1,2,3,4,5,6-hexol",IUPAC_TRADITIONAL,2106,bmse000099,1
"hexane-1,2,3,4,5,6-hexol",IUPAC_CAS,2106,bmse000099,1
"hexane-1,2,3,4,5,6-hexol",IUPAC_OPENEYE,2106,bmse000099,1
"hexane-1,2,3,4,5,6-hexol",IUPAC_SYSTEMATIC,2106,bmse000099,1
"butane-1,2,3,4-tetrol",IUPAC,2128,bmse000100,1
"butane-1,2,3,4-tetrol",IUPAC_TRADITIONAL,2128,bmse000100,1
"butane-1,2,3,4-tetrol",IUPAC_CAS,2128,bmse000100,1
"butane-1,2,3,4-tetrol",IUPAC_OPENEYE,2128,bmse000100,1
"butane-1,2,3,4-tetrol",IUPAC_SYSTEMATIC,2128,bmse000100,1
3-methyl-2-oxo-butanoic acid,IUPAC,2150,bmse000101,1
3-methyl-2-oxo-butanoic acid,IUPAC_TRADITIONAL,2150,bmse000101,1
3-methyl-2-oxo-butanoic acid,IUPAC_CAS,2150,bmse000101,1
3-methyl-2-oxo-butanoic acid,IUPAC_OPENEYE,2150,bmse000101,1
3-methyl-2-oxo-butanoic acid,IUPAC_SYSTEMATIC,2150,bmse000101,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC,2172,bmse000102,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_TRADITIONAL,2172,bmse000102,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_CAS,2172,bmse000102,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_OPENEYE,2172,bmse000102,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_SYSTEMATIC,2172,bmse000102,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC,2194,bmse000103,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_TRADITIONAL,2194,bmse000103,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_CAS,2194,bmse000103,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_OPENEYE,2194,bmse000103,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_SYSTEMATIC,2194,bmse000103,1
pyridine-3-carboxylic acid,IUPAC,2217,bmse000104,1
nicotinic acid,IUPAC_TRADITIONAL,2217,bmse000104,1
nicotinic acid,IUPAC_CAS,2217,bmse000104,1
nicotinic acid,IUPAC_OPENEYE,2217,bmse000104,1
pyridine-3-carboxylic acid,IUPAC_SYSTEMATIC,2217,bmse000104,1
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine,IUPAC,2239,bmse000105,1
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine,IUPAC_TRADITIONAL,2239,bmse000105,1
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine,IUPAC_CAS,2239,bmse000105,1
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine,IUPAC_OPENEYE,2239,bmse000105,1
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine,IUPAC_SYSTEMATIC,2239,bmse000105,1
oxalic acid,IUPAC,2261,bmse000106,1
oxalic acid,IUPAC_TRADITIONAL,2261,bmse000106,1
oxalic acid,IUPAC_CAS,2261,bmse000106,1
oxalic acid,IUPAC_OPENEYE,2261,bmse000106,1
ethanedioic acid,IUPAC_SYSTEMATIC,2261,bmse000106,1
2-(hydroxy-oxido-phosphoryl)oxyprop-2-enoic acid,IUPAC,2279,bmse000107,1
2-(hydroxy-oxido-phosphoryl)oxyacrylic acid,IUPAC_TRADITIONAL,2279,bmse000107,1
2-(hydroxy-oxido-phosphoryl)oxyprop-2-enoic acid,IUPAC_CAS,2279,bmse000107,1
2-(hydroxy-oxido-phosphoryl)oxyprop-2-enoic acid,IUPAC_OPENEYE,2279,bmse000107,1
2-(hydroxy-oxido-phosphoryl)oxyprop-2-enoic acid,IUPAC_SYSTEMATIC,2279,bmse000107,1
"1-(2-carboxy-2-oxo-ethyl)-4-hydroxy-cyclohexa-2,5-diene-1-carboxylic acid",IUPAC,2300,bmse000108,1
"butane-1,4-diamine",IUPAC,2321,bmse000109,1
3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde,IUPAC,2343,bmse000110,1
3-hydroxy-2-methyl-5-methylol-isonicotinaldehyde,IUPAC_TRADITIONAL,2343,bmse000110,1
3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carboxaldehyde,IUPAC_CAS,2343,bmse000110,1
3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde,IUPAC_OPENEYE,2343,bmse000110,1
3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde,IUPAC_SYSTEMATIC,2343,bmse000110,1
(4-formyl-5-hydroxy-6-methyl-pyridin-3-yl)methoxyphosphonic acid,IUPAC,2365,bmse000111,1
(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methoxyphosphonic acid,IUPAC_TRADITIONAL,2365,bmse000111,1
(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methoxyphosphonic acid,IUPAC_CAS,2365,bmse000111,1
(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methoxyphosphonic acid,IUPAC_OPENEYE,2365,bmse000111,1
(5-hydroxy-4-methanoyl-6-methyl-pyridin-3-yl)methoxyphosphonic acid,IUPAC_SYSTEMATIC,2365,bmse000111,1
Pyruvic acid,PUBCHEM_IUPAC_NAME,2386,bmse000112,1
Pyruvic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,2386,bmse000112,1
Pyruvic acid,PUBCHEM_IUPAC_OPENEYE_NAME,2386,bmse000112,1
Pyruvic acid,PUBCHEM_IUPAC_CAS_NAME,2386,bmse000112,1
Pyruvic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,2386,bmse000112,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC,2409,bmse000113,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_TRADITIONAL,2409,bmse000113,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_CAS,2409,bmse000113,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_OPENEYE,2409,bmse000113,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_SYSTEMATIC,2409,bmse000113,1
"(3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid",IUPAC,2431,bmse000114,1
"(2S,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol",IUPAC,2454,bmse000115,1
"(2S,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol",IUPAC_TRADITIONAL,2454,bmse000115,1
"(2S,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol",IUPAC_CAS,2454,bmse000115,1
"(2S,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol",IUPAC_OPENEYE,2454,bmse000115,1
"(2S,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol",IUPAC_SYSTEMATIC,2454,bmse000115,1
"N-(3-aminopropyl)butane-1,4-diamine",IUPAC,2476,bmse000116,1
"N,N'-bis(3-aminopropyl)butane-1,4-diamine",IUPAC,2497,bmse000117,1
butanedioic acid,IUPAC,2515,bmse000118,1
succinic acid,IUPAC_TRADITIONAL,2515,bmse000118,1
succinic acid,IUPAC_CAS,2515,bmse000118,1
succinic acid,IUPAC_OPENEYE,2515,bmse000118,1
"(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",IUPAC,2534,bmse000119,1
"(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol",IUPAC_TRADITIONAL,2534,bmse000119,1
"(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol",IUPAC_CAS,2534,bmse000119,1
"(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol",IUPAC_OPENEYE,2534,bmse000119,1
2-aminoethanesulfonic acid,IUPAC,2556,bmse000120,1
"butane-1,2,3,4-tetrol",IUPAC,2578,bmse000121,1
"butane-1,2,3,4-tetrol",IUPAC_TRADITIONAL,2578,bmse000121,1
"butane-1,2,3,4-tetrol",IUPAC_CAS,2578,bmse000121,1
"butane-1,2,3,4-tetrol",IUPAC_OPENEYE,2578,bmse000121,1
"butane-1,2,3,4-tetrol",IUPAC_SYSTEMATIC,2578,bmse000121,1
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",IUPAC,2600,bmse000123,1
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",IUPAC_TRADITIONAL,2600,bmse000123,1
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",IUPAC_CAS,2600,bmse000123,1
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",IUPAC_OPENEYE,2600,bmse000123,1
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",IUPAC_SYSTEMATIC,2600,bmse000123,1
(E)-3-phenylprop-2-enoic acid,IUPAC,2626,bmse000124,1
cinnamic acid,IUPAC_TRADITIONAL,2626,bmse000124,1
cinnamic acid,IUPAC_CAS,2626,bmse000124,1
cinnamic acid,IUPAC_OPENEYE,2626,bmse000124,1
"(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-3,4,5-triol",IUPAC,2648,bmse000125,1
"(2R,3R,4S,5R,6R)-2-methylol-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_TRADITIONAL,2648,bmse000125,1
"(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_CAS,2648,bmse000125,1
"(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_OPENEYE,2648,bmse000125,1
uric_acid,PUBCHEM_IUPAC_NAME,2671,bmse000126,1
uric_acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,2671,bmse000126,1
uric_acid,PUBCHEM_IUPAC_OPENEYE_NAME,2671,bmse000126,1
uric_acid,PUBCHEM_IUPAC_CAS_NAME,2671,bmse000126,1
uric_acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,2671,bmse000126,1
"3,7-dihydropurine-2,6-dione",IUPAC,2688,bmse000127,1
"3,7-dihydropurine-2,6-quinone",IUPAC_TRADITIONAL,2688,bmse000127,1
"3,7-dihydropurine-2,6-dione",IUPAC_CAS,2688,bmse000127,1
"3,7-dihydropurine-2,6-dione",IUPAC_OPENEYE,2688,bmse000127,1
"3,7-dihydropurine-2,6-dione",IUPAC_SYSTEMATIC,2688,bmse000127,1
"9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione",IUPAC,2711,bmse000128,1
"9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purine-2,6-quinone",IUPAC_TRADITIONAL,2711,bmse000128,1
"9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-2,6-dione",IUPAC_CAS,2711,bmse000128,1
"9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-2,6-dione",IUPAC_OPENEYE,2711,bmse000128,1
"9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione",IUPAC_SYSTEMATIC,2711,bmse000128,1
"(2S,4R)-pentane-1,2,3,4,5-pentol",IUPAC,2732,bmse000129,1
"pentane-1,2,3,4,5-pentol",IUPAC_TRADITIONAL,2732,bmse000129,1
"pentane-1,2,3,4,5-pentol",IUPAC_CAS,2732,bmse000129,1
"pentane-1,2,3,4,5-pentol",IUPAC_OPENEYE,2732,bmse000129,1
"pentane-1,2,3,4,5-pentol",IUPAC_SYSTEMATIC,2732,bmse000129,1
4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-pyridin-3-ol,IUPAC,2755,bmse000130,1
4-(aminomethyl)-2-methyl-5-methylol-pyridin-3-ol,IUPAC_TRADITIONAL,2755,bmse000130,1
[4-(aminomethyl)-5-hydroxy-6-methyl-pyridin-3-yl]methoxyphosphonic acid,IUPAC,2777,bmse000131,1
[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridyl]methoxyphosphonic acid,IUPAC_TRADITIONAL,2777,bmse000131,1
[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridyl]methoxyphosphonic acid,IUPAC_CAS,2777,bmse000131,1
[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridyl]methoxyphosphonic acid,IUPAC_OPENEYE,2777,bmse000131,1
[4-(aminomethyl)-5-hydroxy-6-methyl-pyridin-3-yl]methoxyphosphonic acid,IUPAC_SYSTEMATIC,2777,bmse000131,1
2-(4-hydroxy-3-methoxy-phenyl)acetic acid,IUPAC,2799,bmse000132,1
2-(4-hydroxy-3-methoxy-phenyl)acetic acid,IUPAC_TRADITIONAL,2799,bmse000132,1
2-(4-hydroxy-3-methoxy-phenyl)acetic acid,IUPAC_CAS,2799,bmse000132,1
2-(4-hydroxy-3-methoxy-phenyl)acetic acid,IUPAC_OPENEYE,2799,bmse000132,1
2-(4-hydroxy-3-methoxy-phenyl)ethanoic acid,IUPAC_SYSTEMATIC,2799,bmse000132,1
pyridine-4-carboxylic acid,IUPAC,2821,bmse000133,1
isonicotinic acid,IUPAC_TRADITIONAL,2821,bmse000133,1
isonicotinic acid,IUPAC_CAS,2821,bmse000133,1
isonicotinic acid,IUPAC_OPENEYE,2821,bmse000133,1
pyridine-4-carboxylic acid,IUPAC_SYSTEMATIC,2821,bmse000133,1
"2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid",IUPAC,2843,bmse000134,1
"2-[2,3-dichloro-4-(2-ethylacryloyl)phenoxy]acetic acid",IUPAC_TRADITIONAL,2843,bmse000134,1
"2-[2,3-dichloro-4-(2-methylene-1-oxo-butyl)phenoxy]acetic acid",IUPAC_CAS,2843,bmse000134,1
"2-[2,3-dichloro-4-(2-methylenebutanoyl)phenoxy]acetic acid",IUPAC_OPENEYE,2843,bmse000134,1
"2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ethanoic acid",IUPAC_SYSTEMATIC,2843,bmse000134,1
"1,3,5-triazinane-2,4,6-trione",IUPAC,2865,bmse000135,1
"1,3,5-triazinane-2,4,6-trione",IUPAC_TRADITIONAL,2865,bmse000135,1
"1,3,5-triazinane-2,4,6-trione",IUPAC_CAS,2865,bmse000135,1
"1,3,5-triazinane-2,4,6-trione",IUPAC_OPENEYE,2865,bmse000135,1
"1,3,5-triazinane-2,4,6-trione",IUPAC_SYSTEMATIC,2865,bmse000135,1
2-methylidenebutanedioic acid,IUPAC,2883,bmse000137,1
2-methylenesuccinic acid,IUPAC_TRADITIONAL,2883,bmse000137,1
2-methylenebutanedioic acid,IUPAC_CAS,2883,bmse000137,1
2-methylenebutanedioic acid,IUPAC_OPENEYE,2883,bmse000137,1
2-methylidenebutanedioic acid,IUPAC_SYSTEMATIC,2883,bmse000137,1
"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol",IUPAC,2904,bmse000138,1
"(2R,3R,4S,5R,6S)-2-methylol-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_TRADITIONAL,2904,bmse000138,1
"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_CAS,2904,bmse000138,1
"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_OPENEYE,2904,bmse000138,1
"(3R,4S,5R,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-2,3,4-triol",IUPAC_SYSTEMATIC,2904,bmse000138,1
"(2R)-2-phenyl-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-acetonitrile",IUPAC,2928,bmse000139,1
"(2R)-2-phenyl-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile",IUPAC_TRADITIONAL,2928,bmse000139,1
"(2R)-2-phenyl-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile",IUPAC_CAS,2928,bmse000139,1
"(2R)-2-phenyl-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile",IUPAC_OPENEYE,2928,bmse000139,1
"(2R)-2-phenyl-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-ethanenitrile",IUPAC_SYSTEMATIC,2928,bmse000139,1
"(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid",IUPAC,2950,bmse000140,1
"(2S,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",IUPAC_TRADITIONAL,2950,bmse000140,1
"(2S,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",IUPAC_CAS,2950,bmse000140,1
2-(1H-indol-3-yl)acetic acid,IUPAC_TRADITIONAL,3692,bmse000177,1
"(2S,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",IUPAC_OPENEYE,2950,bmse000140,1
"(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid",IUPAC_SYSTEMATIC,2950,bmse000140,1
"(3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-oxolan-2-one",IUPAC,2972,bmse000141,1
"(3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-one",IUPAC_TRADITIONAL,2972,bmse000141,1
"(3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-one",IUPAC_CAS,2972,bmse000141,1
"(3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-one",IUPAC_OPENEYE,2972,bmse000141,1
"(3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-oxolan-2-one",IUPAC_SYSTEMATIC,2972,bmse000141,1
3-acetyloxy-4-trimethylammonio-butanoate,IUPAC,2994,bmse000142,1
3-acetoxy-4-trimethylammonio-butanoate,IUPAC_TRADITIONAL,2994,bmse000142,1
3-acetoxy-4-trimethylammonio-butanoate,IUPAC_CAS,2994,bmse000142,1
3-acetoxy-4-trimethylammonio-butanoate,IUPAC_OPENEYE,2994,bmse000142,1
3-acetyloxy-4-trimethylammonio-butanoate,IUPAC_SYSTEMATIC,2994,bmse000142,1
N-(3-amino-4-chloro-phenyl)acetamide,IUPAC,3016,bmse000143,1
N-(3-amino-4-chloro-phenyl)acetamide,IUPAC_TRADITIONAL,3016,bmse000143,1
N-(3-amino-4-chloro-phenyl)acetamide,IUPAC_CAS,3016,bmse000143,1
N-(3-amino-4-chloro-phenyl)acetamide,IUPAC_OPENEYE,3016,bmse000143,1
N-(3-amino-4-chloro-phenyl)ethanamide,IUPAC_SYSTEMATIC,3016,bmse000143,1
"1,3-dihydroxypropan-2-one",IUPAC,3037,bmse000144,1
"1,3-dihydroxypropan-2-one",IUPAC_TRADITIONAL,3037,bmse000144,1
"1,3-dihydroxypropan-2-one",IUPAC_CAS,3037,bmse000144,1
"1,3-dihydroxypropan-2-one",IUPAC_OPENEYE,3037,bmse000144,1
"1,3-dihydroxypropan-2-one",IUPAC_SYSTEMATIC,3037,bmse000144,1
2-acetamido-4-carbamoyl-butanoic acid,IUPAC,3058,bmse000145,1
2-acetamido-4-carbamoyl-butanoic acid,IUPAC_TRADITIONAL,3058,bmse000145,1
2-acetamido-4-carbamoyl-butanoic acid,IUPAC_CAS,3058,bmse000145,1
2-acetamido-4-carbamoyl-butanoic acid,IUPAC_OPENEYE,3058,bmse000145,1
2-acetamido-4-aminocarbonyl-butanoic acid,IUPAC_SYSTEMATIC,3058,bmse000145,1
2-(carbamoylmethyl-(carboxymethyl)amino)acetic acid,IUPAC,3083,bmse000146,1
2-(aminocarbonylmethyl-(carboxymethyl)amino)ethanoic acid,IUPAC_SYSTEMATIC,3083,bmse000146,1
"4-amino-1,5-dimethyl-2-phenyl-pyrazol-3-one",IUPAC,3103,bmse000147,1
"4-amino-1,5-dimethyl-2-phenyl-pyrazol-3-one",IUPAC_TRADITIONAL,3103,bmse000147,1
"4-amino-1,5-dimethyl-2-phenyl-pyrazol-3-one",IUPAC_CAS,3103,bmse000147,1
"4-amino-1,5-dimethyl-2-phenyl-pyrazol-3-one",IUPAC_OPENEYE,3103,bmse000147,1
"4-amino-1,5-dimethyl-2-phenyl-pyrazol-3-one",IUPAC_SYSTEMATIC,3103,bmse000147,1
diethyl 2-oxobutanedioate,IUPAC,3124,bmse000148,1
2-oxosuccinic acid diethyl ester,IUPAC_TRADITIONAL,3124,bmse000148,1
diethyl 2-oxobutanedioate,IUPAC_CAS,3124,bmse000148,1
diethyl 2-oxobutanedioate,IUPAC_OPENEYE,3124,bmse000148,1
diethyl 2-oxobutanedioate,IUPAC_SYSTEMATIC,3124,bmse000148,1
3-(4-hydroxyphenyl)prop-2-enoic acid,IUPAC,3144,bmse000150,1
3-(4-hydroxyphenyl)acrylic acid,IUPAC_TRADITIONAL,3144,bmse000150,1
3-(4-hydroxyphenyl)prop-2-enoic acid,IUPAC_CAS,3144,bmse000150,1
3-(4-hydroxyphenyl)prop-2-enoic acid,IUPAC_OPENEYE,3144,bmse000150,1
3-(4-hydroxyphenyl)prop-2-enoic acid,IUPAC_SYSTEMATIC,3144,bmse000150,1
"[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid",IUPAC,3165,bmse000151,1
"[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphosphonic acid",IUPAC_TRADITIONAL,3165,bmse000151,1
"[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphosphonic acid",IUPAC_CAS,3165,bmse000151,1
"[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphosphonic acid",IUPAC_OPENEYE,3165,bmse000151,1
1-methylpyridine-5-carboxylate,IUPAC,3187,bmse000152,1
1-methylpyridine-5-carboxylate,IUPAC_TRADITIONAL,3187,bmse000152,1
1-methylpyridine-5-carboxylate,IUPAC_CAS,3187,bmse000152,1
1-methylpyridine-5-carboxylate,IUPAC_OPENEYE,3187,bmse000152,1
1-methylpyridine-5-carboxylate,IUPAC_SYSTEMATIC,3187,bmse000152,1
(3-amino-3-carboxy-propyl)-dimethyl-sulfanium iodide,IUPAC,3209,bmse000153,1
(3-amino-3-carboxy-propyl)-dimethyl-sulfonium iodide,IUPAC_TRADITIONAL,3209,bmse000153,1
(3-amino-3-carboxy-propyl)-dimethyl-sulfonium iodide,IUPAC_CAS,3209,bmse000153,1
(3-amino-3-carboxy-propyl)-dimethyl-sulfonium iodide,IUPAC_OPENEYE,3209,bmse000153,1
(3-amino-3-carboxy-propyl)-dimethyl-sulfanium iodide,IUPAC_SYSTEMATIC,3209,bmse000153,1
2-morpholin-4-ylethanamine,IUPAC,3231,bmse000154,1
2-amino-1-methyl-5H-imidazol-4-one,IUPAC,3252,bmse000155,1
2-amino-1-methyl-5H-imidazol-4-one,IUPAC_TRADITIONAL,3252,bmse000155,1
2-amino-1-methyl-5H-imidazol-4-one,IUPAC_CAS,3252,bmse000155,1
2-amino-1-methyl-5H-imidazol-4-one,IUPAC_OPENEYE,3252,bmse000155,1
2-amino-1-methyl-5H-imidazol-4-one,IUPAC_SYSTEMATIC,3252,bmse000155,1
methyl 2-dimethoxyphosphorylacetate,IUPAC,3276,bmse000156,1
2-dimethoxyphosphorylacetic acid methyl ester,IUPAC_TRADITIONAL,3276,bmse000156,1
methyl 2-dimethoxyphosphorylacetate,IUPAC_CAS,3276,bmse000156,1
methyl 2-dimethoxyphosphorylacetate,IUPAC_OPENEYE,3276,bmse000156,1
methyl 2-dimethoxyphosphorylethanoate,IUPAC_SYSTEMATIC,3276,bmse000156,1
2-acetamidopropanoic acid,IUPAC,3297,bmse000157,1
2-acetamidopropanoic acid,IUPAC_TRADITIONAL,3297,bmse000157,1
2-acetamidopropanoic acid,IUPAC_CAS,3297,bmse000157,1
2-acetamidopropanoic acid,IUPAC_OPENEYE,3297,bmse000157,1
2-acetamidopropanoic acid,IUPAC_SYSTEMATIC,3297,bmse000157,1
"1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",IUPAC,3319,bmse000158,1
2-(1H-indol-3-yl)acetic acid,IUPAC_CAS,3692,bmse000177,1
"1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone",IUPAC_TRADITIONAL,3319,bmse000158,1
"1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione",IUPAC_CAS,3319,bmse000158,1
"1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione",IUPAC_OPENEYE,3319,bmse000158,1
"1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",IUPAC_SYSTEMATIC,3319,bmse000158,1
3-aminopropanoic acid,IUPAC,3342,bmse000159,1
3-aminopropanoic acid,IUPAC_TRADITIONAL,3342,bmse000159,1
3-aminopropanoic acid,IUPAC_CAS,3342,bmse000159,1
3-aminopropanoic acid,IUPAC_OPENEYE,3342,bmse000159,1
3-aminopropanoic acid,IUPAC_SYSTEMATIC,3342,bmse000159,1
2-methylaminoacetic acid,IUPAC,3366,bmse000160,1
2-methylaminoethanoic acid,IUPAC_SYSTEMATIC,3366,bmse000160,1
3-hydroxybutanoic acid,IUPAC,3387,bmse000161,1
3-hydroxybutanoic acid,IUPAC_TRADITIONAL,3387,bmse000161,1
3-hydroxybutanoic acid,IUPAC_CAS,3387,bmse000161,1
3-hydroxybutanoic acid,IUPAC_OPENEYE,3387,bmse000161,1
3-hydroxybutanoic acid,IUPAC_SYSTEMATIC,3387,bmse000161,1
"(2S)-2,5-diaminopentanoic acid",IUPAC,3412,bmse000162,1
"[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid",IUPAC,3433,bmse000163,1
"(3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl)oxyphosphonic acid",IUPAC_TRADITIONAL,3433,bmse000163,1
"[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphosphonic acid",IUPAC_CAS,3433,bmse000163,1
"[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphosphonic acid",IUPAC_OPENEYE,3433,bmse000163,1
"[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid",IUPAC_SYSTEMATIC,3433,bmse000163,1
"2,3,4,5-tetrahydroxypentanoic acid",IUPAC,3455,bmse000166,1
"2,3,4,5-tetrahydroxypentanoic acid",IUPAC_TRADITIONAL,3455,bmse000166,1
"2,3,4,5-tetrahydroxypentanoic acid",IUPAC_CAS,3455,bmse000166,1
"2,3,4,5-tetrahydroxypentanoic acid",IUPAC_OPENEYE,3455,bmse000166,1
"2,3,4,5-tetrahydroxypentanoic acid",IUPAC_SYSTEMATIC,3455,bmse000166,1
"2,3-dihydroxybutanedioic acid",IUPAC,3477,bmse000167,1
tartaric acid,IUPAC_TRADITIONAL,3477,bmse000167,1
tartaric acid,IUPAC_CAS,3477,bmse000167,1
tartaric acid,IUPAC_OPENEYE,3477,bmse000167,1
"2,3-dihydroxybutanedioic acid",IUPAC_SYSTEMATIC,3477,bmse000167,1
2-acetyloxyethyl(trimethyl)azanium,PUBCHEM_IUPAC_NAME,3499,bmse000168,1
2-acetoxyethyl(trimethyl)ammonium,PUBCHEM_IUPAC_TRADITIONAL_NAME,3499,bmse000168,1
2-acetoxyethyl(trimethyl)ammonium,PUBCHEM_IUPAC_OPENEYE_NAME,3499,bmse000168,1
2-acetyloxyethyl(trimethyl)ammonium,PUBCHEM_IUPAC_CAS_NAME,3499,bmse000168,1
2-acetyloxyethyl(trimethyl)azanium,PUBCHEM_IUPAC_SYSTEMATIC_NAME,3499,bmse000168,1
(2S)-2-amino-4-methylselanyl-butanoic acid,IUPAC,3520,bmse000169,1
(2S)-2-amino-4-methylseleno-butanoic acid,IUPAC_TRADITIONAL,3520,bmse000169,1
(2S)-2-amino-4-methylseleno-butanoic acid,IUPAC_CAS,3520,bmse000169,1
(2S)-2-amino-4-[[(1R)-2-[(2R)-2-[[(4S)-4-amino-4-carboxy-butanoyl]amino]-2-(carboxymethylcarbamoyl)ethyl]disulfanyl-1-(carboxymethylcarbamoyl)ethyl]carbamoyl]butanoic acid,IUPAC,3542,bmse000170,1
(2S)-2-amino-4-[[[(1R)-2-[(2R)-2-[[(4S)-4-amino-4-carboxy-1-oxo-butyl]amino]-2-[(carboxymethylamino)-oxo-methyl]ethyl]disulfanyl-1-[(carboxymethylamino)-oxo-methyl]ethyl]amino]-oxo-methyl]butanoic acid,IUPAC_CAS,3542,bmse000170,1
(amino-phenyl-methyl)phosphonic acid,IUPAC,3565,bmse000171,1
(amino-phenyl-methyl)phosphonic acid,IUPAC_TRADITIONAL,3565,bmse000171,1
(amino-phenyl-methyl)phosphonic acid,IUPAC_CAS,3565,bmse000171,1
(amino-phenyl-methyl)phosphonic acid,IUPAC_OPENEYE,3565,bmse000171,1
(amino-phenyl-methyl)phosphonic acid,IUPAC_SYSTEMATIC,3565,bmse000171,1
(2S)-2-amino-4-(2-aminophenyl)-4-oxo-butanoic acid,IUPAC,3586,bmse000172,1
(2S)-2-amino-4-(2-aminophenyl)-4-oxo-butanoic acid,IUPAC_TRADITIONAL,3586,bmse000172,1
(2S)-2-amino-4-(2-aminophenyl)-4-oxo-butanoic acid,IUPAC_CAS,3586,bmse000172,1
(2S)-2-amino-4-(2-aminophenyl)-4-oxo-butanoic acid,IUPAC_OPENEYE,3586,bmse000172,1
(2S)-2-amino-4-(2-aminophenyl)-4-oxo-butanoic acid,IUPAC_SYSTEMATIC,3586,bmse000172,1
4-(2-hydroxyethyl)phenol,IUPAC,3608,bmse000173,1
4-(2-hydroxyethyl)phenol,IUPAC_TRADITIONAL,3608,bmse000173,1
4-(2-hydroxyethyl)phenol,IUPAC_CAS,3608,bmse000173,1
4-(2-hydroxyethyl)phenol,IUPAC_OPENEYE,3608,bmse000173,1
4-(2-hydroxyethyl)phenol,IUPAC_SYSTEMATIC,3608,bmse000173,1
5-acetamido-2-nitro-benzoic acid,IUPAC,3629,bmse000174,1
5-acetamido-2-nitro-benzoic acid,IUPAC_TRADITIONAL,3629,bmse000174,1
5-acetamido-2-nitro-benzoic acid,IUPAC_CAS,3629,bmse000174,1
5-acetamido-2-nitro-benzoic acid,IUPAC_OPENEYE,3629,bmse000174,1
5-acetamido-2-nitro-benzoic acid,IUPAC_SYSTEMATIC,3629,bmse000174,1
"[(2R,3R,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxyphosphonic acid",IUPAC,3650,bmse000175,1
"[(2R,3R,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,3650,bmse000175,1
"[(2R,3R,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_CAS,3650,bmse000175,1
"[(2R,3R,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,3650,bmse000175,1
"[(2R,3R,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxyphosphonic acid",IUPAC_SYSTEMATIC,3650,bmse000175,1
"5-ethyl-1,3,4-thiadiazol-2-amine",IUPAC,3672,bmse000176,1
"5-ethyl-1,3,4-thiadiazol-2-amine",IUPAC_TRADITIONAL,3672,bmse000176,1
"5-ethyl-1,3,4-thiadiazol-2-amine",IUPAC_CAS,3672,bmse000176,1
"5-ethyl-1,3,4-thiadiazol-2-amine",IUPAC_OPENEYE,3672,bmse000176,1
"5-ethyl-1,3,4-thiadiazol-2-amine",IUPAC_SYSTEMATIC,3672,bmse000176,1
2-(1H-indol-3-yl)acetic acid,IUPAC,3692,bmse000177,1
2-(1H-indol-3-yl)acetic acid,IUPAC_OPENEYE,3692,bmse000177,1
2-(1H-indol-3-yl)ethanoic acid,IUPAC_SYSTEMATIC,3692,bmse000177,1
naphthalene-1-carboxylic acid,IUPAC,3714,bmse000178,1
naphthalene-1-carboxylic acid,IUPAC_TRADITIONAL,3714,bmse000178,1
naphthalene-1-carboxylic acid,IUPAC_CAS,3714,bmse000178,1
naphthalene-1-carboxylic acid,IUPAC_OPENEYE,3714,bmse000178,1
naphthalene-1-carboxylic acid,IUPAC_SYSTEMATIC,3714,bmse000178,1
propanoic acid,IUPAC,3735,bmse000179,1
propionic acid,IUPAC_TRADITIONAL,3735,bmse000179,1
propionic acid,IUPAC_CAS,3735,bmse000179,1
propionic acid,IUPAC_OPENEYE,3735,bmse000179,1
cytosine,PUBCHEM_IUPAC_NAME,3756,bmse000180,1
cytosine,PUBCHEM_IUPAC_TRADITIONAL_NAME,3756,bmse000180,1
cytosine,PUBCHEM_IUPAC_OPENEYE_NAME,3756,bmse000180,1
cytosine,PUBCHEM_IUPAC_CAS_NAME,3756,bmse000180,1
cytosine,PUBCHEM_IUPAC_SYSTEMATIC_NAME,3756,bmse000180,1
"(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one",IUPAC,3777,bmse000182,1
"(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one",IUPAC_TRADITIONAL,3777,bmse000182,1
"(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one",IUPAC_CAS,3777,bmse000182,1
"(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one",IUPAC_OPENEYE,3777,bmse000182,1
"(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one",IUPAC_SYSTEMATIC,3777,bmse000182,1
butanedioic acid,IUPAC,3799,bmse000183,1
succinic acid,IUPAC_TRADITIONAL,3799,bmse000183,1
succinic acid,IUPAC_CAS,3799,bmse000183,1
succinic acid,IUPAC_OPENEYE,3799,bmse000183,1
"propane-1,2,3-triol",IUPAC,3822,bmse000184,1
glycerol,IUPAC_TRADITIONAL,3822,bmse000184,1
glycerol,IUPAC_CAS,3822,bmse000184,1
glycerol,IUPAC_OPENEYE,3822,bmse000184,1
"propane-1,2,3-triol",IUPAC_SYSTEMATIC,3822,bmse000184,1
2-amino-4-[[1-(carboxymethylcarbamoyl)-2-sulfanyl-ethyl]carbamoyl]butanoic acid,IUPAC,3845,bmse000185,1
2-amino-4-[[1-(carboxymethylcarbamoyl)-2-mercapto-ethyl]carbamoyl]butanoic acid,IUPAC_TRADITIONAL,3845,bmse000185,1
2-amino-4-[[[1-[(carboxymethylamino)-oxo-methyl]-2-mercapto-ethyl]amino]-oxo-methyl]butanoic acid,IUPAC_CAS,3845,bmse000185,1
2-amino-4-[[1-(carboxymethylcarbamoyl)-2-sulfanyl-ethyl]carbamoyl]butanoic acid,IUPAC_OPENEYE,3845,bmse000185,1
2-amino-4-[[1-(carboxymethylcarbamoyl)-2-sulfanyl-ethyl]carbamoyl]butanoic acid,IUPAC_SYSTEMATIC,3845,bmse000185,1
"1H-pyrimidine-2,4-dione",IUPAC,3871,bmse000187,1
"1H-pyrimidine-2,4-quinone",IUPAC_TRADITIONAL,3871,bmse000187,1
"pyrimidine-2,4-diol",IUPAC_CAS,3871,bmse000187,1
"pyrimidine-2,4-diol",IUPAC_OPENEYE,3871,bmse000187,1
"pyrimidine-2,4-diol",IUPAC_SYSTEMATIC,3871,bmse000187,1
"[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-hydroxy-phosphoryl]oxy-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]phosphinic acid",IUPAC,3891,bmse000188,1
"[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-hydroxy-phosphoryl]oxy-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]phosphinic acid",IUPAC_TRADITIONAL,3891,bmse000188,1
"[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hydroxy-phosphoryl]oxy-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]phosphinic acid",IUPAC_CAS,3891,bmse000188,1
"[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hydroxy-phosphoryl]oxy-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]phosphinic acid",IUPAC_OPENEYE,3891,bmse000188,1
"[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-hydroxy-phosphoryl]oxy-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]phosphinic acid",IUPAC_SYSTEMATIC,3891,bmse000188,1
"[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxy-oxan-2-yl]methoxyphosphonic acid",IUPAC,3911,bmse000189,1
"[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxy-tetrahydropyran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,3911,bmse000189,1
"[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxy-tetrahydropyran-2-yl]methoxyphosphonic acid",IUPAC_CAS,3911,bmse000189,1
"[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxy-tetrahydropyran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,3911,bmse000189,1
"4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",IUPAC,3933,bmse000190,1
"4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one",IUPAC_TRADITIONAL,3933,bmse000190,1
"4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one",IUPAC_CAS,3933,bmse000190,1
"4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one",IUPAC_OPENEYE,3933,bmse000190,1
"4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",IUPAC_SYSTEMATIC,3933,bmse000190,1
acetic acid,IUPAC,3958,bmse000191,1
acetic acid,IUPAC_TRADITIONAL,3958,bmse000191,1
acetic acid,IUPAC_CAS,3958,bmse000191,1
acetic acid,IUPAC_OPENEYE,3958,bmse000191,1
ethanoic acid,IUPAC_SYSTEMATIC,3958,bmse000191,1
"2,3-dihydroxypropoxyphosphonic acid",IUPAC,3983,bmse000193,1
glyceryloxyphosphonic acid,IUPAC_TRADITIONAL,3983,bmse000193,1
"2,3-dihydroxypropoxyphosphonic acid",IUPAC_CAS,3983,bmse000193,1
"2,3-dihydroxypropoxyphosphonic acid",IUPAC_OPENEYE,3983,bmse000193,1
"2,3-dihydroxypropoxyphosphonic acid",IUPAC_SYSTEMATIC,3983,bmse000193,1
2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-aminopentanedioic acid,IUPAC,4005,bmse000194,1
2-aminoglutaric acid; 2-amino-5-guanidino-pentanoic acid,IUPAC_TRADITIONAL,4005,bmse000194,1
2-amino-5-guanidino-pentanoic acid; 2-aminopentanedioic acid,IUPAC_CAS,4005,bmse000194,1
2-amino-5-guanidino-pentanoic acid; 2-aminopentanedioic acid,IUPAC_OPENEYE,4005,bmse000194,1
2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-aminopentanedioic acid,IUPAC_SYSTEMATIC,4005,bmse000194,1
(2S)-2-acetamido-5-amino-pentanoic acid,IUPAC,4027,bmse000195,1
(2S)-2-acetamido-5-amino-pentanoic acid,IUPAC_TRADITIONAL,4027,bmse000195,1
(2S)-2-acetamido-5-amino-pentanoic acid,IUPAC_CAS,4027,bmse000195,1
(2S)-2-acetamido-5-amino-pentanoic acid,IUPAC_OPENEYE,4027,bmse000195,1
(2S)-2-acetamido-5-amino-pentanoic acid,IUPAC_SYSTEMATIC,4027,bmse000195,1
"N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-oxan-3-yl]acetamide",IUPAC,4049,bmse000196,1
"N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-methoxy-6-methylol-tetrahydropyran-3-yl]acetamide",IUPAC_TRADITIONAL,4049,bmse000196,1
"N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3-yl]acetamide",IUPAC_CAS,4049,bmse000196,1
"N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3-yl]acetamide",IUPAC_OPENEYE,4049,bmse000196,1
"N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-oxan-3-yl]ethanamide",IUPAC_SYSTEMATIC,4049,bmse000196,1
"(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-phosphonooxy-hexanoic acid",IUPAC,4071,bmse000198,1
2-methylbut-2-enedioic acid,IUPAC,4093,bmse000199,1
2-methylbut-2-enedioic acid,IUPAC_TRADITIONAL,4093,bmse000199,1
2-methylbut-2-enedioic acid,IUPAC_CAS,4093,bmse000199,1
2-methylbut-2-enedioic acid,IUPAC_OPENEYE,4093,bmse000199,1
2-methylbut-2-enedioic acid,IUPAC_SYSTEMATIC,4093,bmse000199,1
"2-(2,5-dihydroxyphenyl)acetic acid",IUPAC,4115,bmse000200,1
"2-(2,5-dihydroxyphenyl)acetic acid",IUPAC_TRADITIONAL,4115,bmse000200,1
"2-(2,5-dihydroxyphenyl)acetic acid",IUPAC_CAS,4115,bmse000200,1
"2-(2,5-dihydroxyphenyl)acetic acid",IUPAC_OPENEYE,4115,bmse000200,1
"2-(2,5-dihydroxyphenyl)ethanoic acid",IUPAC_SYSTEMATIC,4115,bmse000200,1
"(2R,3R,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3S,4R,5R,6S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-oxane-3,4,5-triol",IUPAC,4137,bmse000201,1
"(2R,3R,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3S,4R,5R,6S)-4-amino-3,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]tetrahydropyran-3,4,5-triol",IUPAC_TRADITIONAL,4137,bmse000201,1
"(2R,3R,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3S,4R,5R,6S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]tetrahydropyran-3,4,5-triol",IUPAC_CAS,4137,bmse000201,1
"(2R,3R,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3S,4R,5R,6S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]tetrahydropyran-3,4,5-triol",IUPAC_OPENEYE,4137,bmse000201,1
"(2R,3R,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3S,4R,5R,6S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-oxane-3,4,5-triol",IUPAC_SYSTEMATIC,4137,bmse000201,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC,4160,bmse000202,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC_TRADITIONAL,4160,bmse000202,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC_CAS,4160,bmse000202,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC_OPENEYE,4160,bmse000202,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC_SYSTEMATIC,4160,bmse000202,1
formic acid,IUPAC,4182,bmse000203,1
formic acid,IUPAC_TRADITIONAL,4182,bmse000203,1
formic acid,IUPAC_CAS,4182,bmse000203,1
formic acid,IUPAC_OPENEYE,4182,bmse000203,1
methanoic acid,IUPAC_SYSTEMATIC,4182,bmse000203,1
"[(2R,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]methoxyphosphonic acid",IUPAC,4204,bmse000204,1
"[(2R,3R,4R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,4204,bmse000204,1
"[(2R,3R,4R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_CAS,4204,bmse000204,1
"[(2R,3R,4R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,4204,bmse000204,1
"[(2R,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]methoxyphosphonic acid",IUPAC_SYSTEMATIC,4204,bmse000204,1
"(5-acetamido-3,4,6-trihydroxy-oxan-2-yl)methoxyphosphonic acid",IUPAC,4225,bmse000205,1
"(5-acetamido-3,4,6-trihydroxy-tetrahydropyran-2-yl)methoxyphosphonic acid",IUPAC_TRADITIONAL,4225,bmse000205,1
"(5-acetamido-3,4,6-trihydroxy-tetrahydropyran-2-yl)methoxyphosphonic acid",IUPAC_CAS,4225,bmse000205,1
"(5-acetamido-3,4,6-trihydroxy-tetrahydropyran-2-yl)methoxyphosphonic acid",IUPAC_OPENEYE,4225,bmse000205,1
"(5-acetamido-3,4,6-trihydroxy-oxan-2-yl)methoxyphosphonic acid",IUPAC_SYSTEMATIC,4225,bmse000205,1
"1,3,7-trimethylpurine-2,6-dione",IUPAC,4247,bmse000206,1
"1,3,7-trimethylpurine-2,6-quinone",IUPAC_TRADITIONAL,4247,bmse000206,1
2-(1H-indol-3-yl)ethanamine,IUPAC,4269,bmse000207,1
2-(1H-indol-3-yl)ethanamine,IUPAC_TRADITIONAL,4269,bmse000207,1
2-(1H-indol-3-yl)ethanamine,IUPAC_CAS,4269,bmse000207,1
2-(1H-indol-3-yl)ethanamine,IUPAC_OPENEYE,4269,bmse000207,1
2-(1H-indol-3-yl)ethanamine,IUPAC_SYSTEMATIC,4269,bmse000207,1
(2S)-2-hydroxypropanoic acid,IUPAC,4291,bmse000208,1
lactic acid,IUPAC_TRADITIONAL,4291,bmse000208,1
lactic acid,IUPAC_CAS,4291,bmse000208,1
lactic acid,IUPAC_OPENEYE,4291,bmse000208,1
2-amino-5-(carbamoylamino)pentanoic acid,IUPAC,4313,bmse000209,1
2-amino-5-ureido-pentanoic acid,IUPAC_TRADITIONAL,4313,bmse000209,1
2-amino-5-ureido-pentanoic acid,IUPAC_CAS,4313,bmse000209,1
2-amino-5-ureido-pentanoic acid,IUPAC_OPENEYE,4313,bmse000209,1
2-amino-5-(aminocarbonylamino)pentanoic acid,IUPAC_SYSTEMATIC,4313,bmse000209,1
"[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,4334,bmse000210,1
"[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,4334,bmse000210,1
"(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one",IUPAC,4660,bmse000230,1
"[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,4334,bmse000210,1
"[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,4334,bmse000210,1
"[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,4334,bmse000210,1
(3R)-3-hydroxy-4-trimethylammonio-butanoate,IUPAC,4355,bmse000211,1
(3R)-3-hydroxy-4-trimethylammonio-butanoate,IUPAC_TRADITIONAL,4355,bmse000211,1
(3R)-3-hydroxy-4-trimethylammonio-butanoate,IUPAC_CAS,4355,bmse000211,1
(3R)-3-hydroxy-4-trimethylammonio-butanoate,IUPAC_OPENEYE,4355,bmse000211,1
(3R)-3-hydroxy-4-trimethylammonio-butanoate,IUPAC_SYSTEMATIC,4355,bmse000211,1
but-2-enedioic acid,IUPAC,4376,bmse000212,1
"(2S,3R,4S,5S)-oxane-2,3,4,5-tetrol",IUPAC,4399,bmse000213,1
"(2S,3R,4S,5S)-tetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,4399,bmse000213,1
"(2S,3R,4S,5S)-tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,4399,bmse000213,1
"(2S,3R,4S,5S)-tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,4399,bmse000213,1
"(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid",IUPAC,4421,bmse000216,1
"(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",IUPAC_TRADITIONAL,4421,bmse000216,1
"(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",IUPAC_CAS,4421,bmse000216,1
"(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",IUPAC_OPENEYE,4421,bmse000216,1
"(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid",IUPAC_SYSTEMATIC,4421,bmse000216,1
"pyridine-2,3-dicarboxylic acid",IUPAC,4443,bmse000219,1
"pyridine-2,3-dicarboxylic acid",IUPAC_TRADITIONAL,4443,bmse000219,1
"pyridine-2,3-dicarboxylic acid",IUPAC_CAS,4443,bmse000219,1
"pyridine-2,3-dicarboxylic acid",IUPAC_OPENEYE,4443,bmse000219,1
"pyridine-2,3-dicarboxylic acid",IUPAC_SYSTEMATIC,4443,bmse000219,1
2-phenylacetic acid,IUPAC,4465,bmse000220,1
2-phenylacetic acid,IUPAC_TRADITIONAL,4465,bmse000220,1
2-phenylacetic acid,IUPAC_CAS,4465,bmse000220,1
2-phenylacetic acid,IUPAC_OPENEYE,4465,bmse000220,1
2-phenylethanoic acid,IUPAC_SYSTEMATIC,4465,bmse000220,1
"(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol",IUPAC,4487,bmse000221,1
"(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol",IUPAC_TRADITIONAL,4487,bmse000221,1
"(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol",IUPAC_CAS,4487,bmse000221,1
"(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol",IUPAC_OPENEYE,4487,bmse000221,1
"(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol",IUPAC_SYSTEMATIC,4487,bmse000221,1
2-amino-3-hydroxy-propanoic acid,IUPAC,4509,bmse000222,1
2-amino-3-hydroxy-propanoic acid,IUPAC_TRADITIONAL,4509,bmse000222,1
2-amino-3-hydroxy-propanoic acid,IUPAC_CAS,4509,bmse000222,1
2-amino-3-hydroxy-propanoic acid,IUPAC_OPENEYE,4509,bmse000222,1
2-amino-3-hydroxy-propanoic acid,IUPAC_SYSTEMATIC,4509,bmse000222,1
4-nitrophenol,IUPAC,4531,bmse000223,1
4-nitrophenol,IUPAC_TRADITIONAL,4531,bmse000223,1
4-nitrophenol,IUPAC_CAS,4531,bmse000223,1
4-nitrophenol,IUPAC_OPENEYE,4531,bmse000223,1
4-nitrophenol,IUPAC_SYSTEMATIC,4531,bmse000223,1
"N,N-dimethylmethanamine",IUPAC,4552,bmse000224,1
"2,3-dihydroxypropanal",IUPAC,4573,bmse000225,1
"2,3-dihydroxypropanal",IUPAC_TRADITIONAL,4573,bmse000225,1
"2,3-dihydroxypropanal",IUPAC_CAS,4573,bmse000225,1
"2,3-dihydroxypropanal",IUPAC_OPENEYE,4573,bmse000225,1
"2,3-dihydroxypropanal",IUPAC_SYSTEMATIC,4573,bmse000225,1
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl] hydrogen phosphate",IUPAC,4594,bmse000226,1
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2S,3R,4R)-5-(2,4-diketo-7,8-dimethyl-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] hydrogen phosphate",IUPAC_TRADITIONAL,4594,bmse000226,1
"[(2R,3S,4R,5R)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl] hydrogen phosphate",IUPAC_CAS,4594,bmse000226,1
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] hydrogen phosphate",IUPAC_OPENEYE,4594,bmse000226,1
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] hydrogen phosphate",IUPAC_SYSTEMATIC,4594,bmse000226,1
"5-[(1R,5S,6S)-3-oxo-7-thia-2,4-diazabicyclo[3.3.0]oct-6-yl]pentanoic acid",IUPAC,4615,bmse000227,1
"(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid",IUPAC,4638,bmse000228,1
"(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",IUPAC_TRADITIONAL,4638,bmse000228,1
"(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",IUPAC_CAS,4638,bmse000228,1
"(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",IUPAC_OPENEYE,4638,bmse000228,1
"(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid",IUPAC_SYSTEMATIC,4638,bmse000228,1
"(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-one",IUPAC_TRADITIONAL,4660,bmse000230,1
"(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-one",IUPAC_CAS,4660,bmse000230,1
"(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-one",IUPAC_OPENEYE,4660,bmse000230,1
"(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one",IUPAC_SYSTEMATIC,4660,bmse000230,1
"N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide",IUPAC,4682,bmse000231,1
"N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide",IUPAC_TRADITIONAL,4682,bmse000231,1
"N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide",IUPAC_CAS,4682,bmse000231,1
"N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide",IUPAC_OPENEYE,4682,bmse000231,1
"N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",IUPAC_SYSTEMATIC,4682,bmse000231,1
"(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",IUPAC,4704,bmse000232,1
"(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol",IUPAC_TRADITIONAL,4704,bmse000232,1
"(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol",IUPAC_CAS,4704,bmse000232,1
"(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol",IUPAC_OPENEYE,4704,bmse000232,1
"(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",IUPAC_SYSTEMATIC,4704,bmse000232,1
"(2R,3R,4S,5R,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol",IUPAC,4725,bmse000233,1
"(2R,3R,4S,5R,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,4725,bmse000233,1
"(2R,3R,4S,5R,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,4725,bmse000233,1
"(2R,3R,4S,5R,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,4725,bmse000233,1
"(2R,3R,4S,5R,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol",IUPAC_SYSTEMATIC,4725,bmse000233,1
"(3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-oxolan-2-one",IUPAC,4746,bmse000235,1
"(3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-one",IUPAC_TRADITIONAL,4746,bmse000235,1
"(3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-one",IUPAC_CAS,4746,bmse000235,1
"(3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-one",IUPAC_OPENEYE,4746,bmse000235,1
"(3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-oxolan-2-one",IUPAC_SYSTEMATIC,4746,bmse000235,1
(2R)-2-aminopropanoic acid,IUPAC,4768,bmse000236,1
(2S)-piperidine-2-carboxylic acid,IUPAC,4789,bmse000237,1
(2S)-piperidine-2-carboxylic acid,IUPAC_TRADITIONAL,4789,bmse000237,1
(2S)-piperidine-2-carboxylic acid,IUPAC_CAS,4789,bmse000237,1
(2S)-piperidine-2-carboxylic acid,IUPAC_OPENEYE,4789,bmse000237,1
(2S)-piperidine-2-carboxylic acid,IUPAC_SYSTEMATIC,4789,bmse000237,1
(2S)-2-hydroxybutanedioic acid,IUPAC,4811,bmse000238,1
(2S)-2-hydroxysuccinic acid,IUPAC_TRADITIONAL,4811,bmse000238,1
"(2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid",IUPAC,4833,bmse000239,1
"(2R,3S,4S,5S)-2,3,4,5-tetrahydroxyadipic acid",IUPAC_TRADITIONAL,4833,bmse000239,1
"2,3,4,5-tetrahydroxyhexanedioic acid",IUPAC_CAS,4833,bmse000239,1
"2,3,4,5-tetrahydroxyhexanedioic acid",IUPAC_OPENEYE,4833,bmse000239,1
"2,3,4,5-tetrahydroxyhexanedioic acid",IUPAC_SYSTEMATIC,4833,bmse000239,1
"(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol",IUPAC,4855,bmse000240,1
"(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol",IUPAC_TRADITIONAL,4855,bmse000240,1
"(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol",IUPAC_CAS,4855,bmse000240,1
"(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol",IUPAC_OPENEYE,4855,bmse000240,1
"(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol",IUPAC_SYSTEMATIC,4855,bmse000240,1
2-dimethylaminoacetic acid,IUPAC,4877,bmse000241,1
2-dimethylaminoacetic acid,IUPAC_TRADITIONAL,4877,bmse000241,1
2-dimethylaminoacetic acid,IUPAC_CAS,4877,bmse000241,1
2-dimethylaminoacetic acid,IUPAC_OPENEYE,4877,bmse000241,1
2-dimethylaminoethanoic acid,IUPAC_SYSTEMATIC,4877,bmse000241,1
2-hydroxyethanesulfonic acid,IUPAC,4898,bmse000242,1
2-hydroxyethanesulfonic acid,IUPAC_TRADITIONAL,4898,bmse000242,1
2-hydroxyethanesulfonic acid,IUPAC_CAS,4898,bmse000242,1
2-hydroxyethanesulfonic acid,IUPAC_OPENEYE,4898,bmse000242,1
2-hydroxyethanesulfonic acid,IUPAC_SYSTEMATIC,4898,bmse000242,1
4-(2-aminoethyl)phenol,IUPAC,4919,bmse000243,1
4-(2-aminoethyl)phenol,IUPAC_TRADITIONAL,4919,bmse000243,1
4-(2-aminoethyl)phenol,IUPAC_CAS,4919,bmse000243,1
4-(2-aminoethyl)phenol,IUPAC_OPENEYE,4919,bmse000243,1
4-(2-aminoethyl)phenol,IUPAC_SYSTEMATIC,4919,bmse000243,1
"1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione",IUPAC,4942,bmse000244,1
"1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone",IUPAC_TRADITIONAL,4942,bmse000244,1
"1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione",IUPAC_CAS,4942,bmse000244,1
"1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione",IUPAC_OPENEYE,4942,bmse000244,1
"1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione",IUPAC_SYSTEMATIC,4942,bmse000244,1
2-hydroxyacetic acid,IUPAC,4964,bmse000245,1
2-hydroxyacetic acid,IUPAC_TRADITIONAL,4964,bmse000245,1
2-hydroxyacetic acid,IUPAC_CAS,4964,bmse000245,1
2-hydroxyacetic acid,IUPAC_OPENEYE,4964,bmse000245,1
2-hydroxyethanoic acid,IUPAC_SYSTEMATIC,4964,bmse000245,1
2-(3-aminopropanoylamino)-3-(3H-imidazol-4-yl)propanoic acid,IUPAC,4985,bmse000246,1
2-(3-aminopropanoylamino)-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_TRADITIONAL,4985,bmse000246,1
2-[(3-amino-1-oxo-propyl)amino]-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_CAS,4985,bmse000246,1
2-(3-aminopropanoylamino)-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_OPENEYE,4985,bmse000246,1
2-(3-aminopropanoylamino)-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_SYSTEMATIC,4985,bmse000246,1
"(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol",IUPAC,5007,bmse000247,1
"(2R,3R,4R,5S,6R)-3-amino-6-methylol-tetrahydropyran-2,4,5-triol",IUPAC_TRADITIONAL,5007,bmse000247,1
"(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol",IUPAC_CAS,5007,bmse000247,1
"(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol",IUPAC_OPENEYE,5007,bmse000247,1
"(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol",IUPAC_SYSTEMATIC,5007,bmse000247,1
"1,3-dimethylurea",IUPAC,5028,bmse000248,1
"1,3-dimethylurea",IUPAC_TRADITIONAL,5028,bmse000248,1
"1,3-dimethylurea",IUPAC_CAS,5028,bmse000248,1
"1,3-dimethylurea",IUPAC_OPENEYE,5028,bmse000248,1
"1,3-dimethylurea",IUPAC_SYSTEMATIC,5028,bmse000248,1
methyl 4-aminobutanoate,IUPAC,5051,bmse000249,1
4-aminobutanoic acid methyl ester,IUPAC_TRADITIONAL,5051,bmse000249,1
methyl 4-aminobutanoate,IUPAC_CAS,5051,bmse000249,1
methyl 4-aminobutanoate,IUPAC_OPENEYE,5051,bmse000249,1
methyl 4-aminobutanoate,IUPAC_SYSTEMATIC,5051,bmse000249,1
"[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxyphosphonic acid",IUPAC,5072,bmse000250,1
"[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,5072,bmse000250,1
"[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_CAS,5072,bmse000250,1
"[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,5072,bmse000250,1
"[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxyphosphonic acid",IUPAC_SYSTEMATIC,5072,bmse000250,1
2-hydroxybenzoic acid,IUPAC,5094,bmse000252,1
2-hydroxybenzoic acid,IUPAC_TRADITIONAL,5094,bmse000252,1
2-hydroxybenzoic acid,IUPAC_OPENEYE,5094,bmse000252,1
2-hydroxybenzoic acid,IUPAC_CAS,5094,bmse000252,1
2-hydroxybenzoic acid,IUPAC_SYSTEMATIC,5094,bmse000252,1
"[[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,5115,bmse000253,1
"[[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,5115,bmse000253,1
"[[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,5115,bmse000253,1
"[[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,5115,bmse000253,1
"[[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,5115,bmse000253,1
"[(3R,4S,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxyphosphonic acid",IUPAC,5133,bmse000254,1
"[(3R,4S,5S)-2,3,4-trihydroxy-5-methylol-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,5133,bmse000254,1
"[(3R,4S,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,5133,bmse000254,1
"[(3R,4S,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_CAS,5133,bmse000254,1
"[(3R,4S,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxyphosphonic acid",IUPAC_SYSTEMATIC,5133,bmse000254,1
"[[[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,5155,bmse000255,1
"[[[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,5155,bmse000255,1
"[[[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,5155,bmse000255,1
"[[[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,5155,bmse000255,1
"[[[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,5155,bmse000255,1
formaldehyde,IUPAC,5176,bmse000256,1
formaldehyde,IUPAC_TRADITIONAL,5176,bmse000256,1
formaldehyde,IUPAC_OPENEYE,5176,bmse000256,1
formaldehyde,IUPAC_CAS,5176,bmse000256,1
methanal,IUPAC_SYSTEMATIC,5176,bmse000256,1
"[(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate",IUPAC,5199,bmse000257,1
"[(2S,3R,4R)-5-(2,4-diketo-7,8-dimethyl-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate",IUPAC_TRADITIONAL,5199,bmse000257,1
"[(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentyl] dihydrogen phosphate",IUPAC_CAS,5199,bmse000257,1
"[(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate",IUPAC_OPENEYE,5199,bmse000257,1
"[(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate",IUPAC_SYSTEMATIC,5199,bmse000257,1
2-hydroxyacetaldehyde,IUPAC,5220,bmse000258,1
2-hydroxyacetaldehyde,IUPAC_TRADITIONAL,5220,bmse000258,1
2-hydroxyacetaldehyde,IUPAC_OPENEYE,5220,bmse000258,1
2-hydroxyacetaldehyde,IUPAC_CAS,5220,bmse000258,1
2-hydroxyethanal,IUPAC_SYSTEMATIC,5220,bmse000258,1
4-hydroxybenzaldehyde,IUPAC,5241,bmse000259,1
4-hydroxybenzaldehyde,IUPAC_TRADITIONAL,5241,bmse000259,1
4-hydroxybenzaldehyde,IUPAC_OPENEYE,5241,bmse000259,1
4-hydroxybenzaldehyde,IUPAC_CAS,5241,bmse000259,1
4-hydroxybenzaldehyde,IUPAC_SYSTEMATIC,5241,bmse000259,1
"1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[(hydroxy-oxido-phosphoryl)oxymethyl]oxolan-2-yl]pyridine-5-carboxamide",IUPAC,5263,bmse000260,1
"1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[(hydroxy-oxido-phosphoryl)oxymethyl]tetrahydrofuran-2-yl]pyridine-5-carboxamide",IUPAC_TRADITIONAL,5263,bmse000260,1
"1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[(hydroxy-oxido-phosphoryl)oxymethyl]tetrahydrofuran-2-yl]pyridine-5-carboxamide",IUPAC_OPENEYE,5263,bmse000260,1
"1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[(hydroxy-oxido-phosphoryl)oxymethyl]tetrahydrofuran-2-yl]pyridine-5-carboxamide",IUPAC_CAS,5263,bmse000260,1
"1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[(hydroxy-oxido-phosphoryl)oxymethyl]oxolan-2-yl]pyridine-5-carboxamide",IUPAC_SYSTEMATIC,5263,bmse000260,1
acetyloxyphosphonic acid,IUPAC,5283,bmse000261,1
acetoxyphosphonic acid,IUPAC_TRADITIONAL,5283,bmse000261,1
acetoxyphosphonic acid,IUPAC_OPENEYE,5283,bmse000261,1
acetoxyphosphonic acid,IUPAC_CAS,5283,bmse000261,1
acetyloxyphosphonic acid,IUPAC_SYSTEMATIC,5283,bmse000261,1
3-(4-hydroxyphenyl)-2-oxo-propanoic acid,IUPAC,5304,bmse000262,1
3-(4-hydroxyphenyl)-2-oxo-propanoic acid,IUPAC_TRADITIONAL,5304,bmse000262,1
3-(4-hydroxyphenyl)-2-oxo-propanoic acid,IUPAC_OPENEYE,5304,bmse000262,1
3-(4-hydroxyphenyl)-2-oxo-propanoic acid,IUPAC_CAS,5304,bmse000262,1
3-(4-hydroxyphenyl)-2-oxo-propanoic acid,IUPAC_SYSTEMATIC,5304,bmse000262,1
"[(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[[[[(2S,3S,4R,5R)-5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid",IUPAC,5324,bmse000263,1
"[(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[[[[(2S,3S,4R,5R)-5-(5-carbamoyl-1-pyridyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxyphosphonic acid",IUPAC_TRADITIONAL,5324,bmse000263,1
"[(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[[[[(2S,3S,4R,5R)-5-(5-carbamoyl-1-pyridyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxyphosphonic acid",IUPAC_OPENEYE,5324,bmse000263,1
"[(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[[[[(2S,3S,4R,5R)-5-(5-carbamoyl-1-pyridyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxyphosphonic acid",IUPAC_CAS,5324,bmse000263,1
"[(2R,3R,4S,5S)-5-[[[[(2S,3S,4R,5R)-5-(5-aminocarbonylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-2-(6-aminopurin-9-yl)-4-hydroxy-oxolan-3-yl]oxyphosphonic acid",IUPAC_SYSTEMATIC,5324,bmse000263,1
(4-nitrophenoxy)phosphonic acid,IUPAC,5345,bmse000264,1
(4-nitrophenoxy)phosphonic acid,IUPAC_TRADITIONAL,5345,bmse000264,1
(4-nitrophenoxy)phosphonic acid,IUPAC_OPENEYE,5345,bmse000264,1
(4-nitrophenoxy)phosphonic acid,IUPAC_CAS,5345,bmse000264,1
(4-nitrophenoxy)phosphonic acid,IUPAC_SYSTEMATIC,5345,bmse000264,1
"4-nitrobenzene-1,2-diol",IUPAC,5367,bmse000265,1
"4-nitrobenzene-1,2-diol",IUPAC_TRADITIONAL,5367,bmse000265,1
"4-nitrobenzene-1,2-diol",IUPAC_OPENEYE,5367,bmse000265,1
"4-nitrobenzene-1,2-diol",IUPAC_CAS,5367,bmse000265,1
"4-nitrobenzene-1,2-diol",IUPAC_SYSTEMATIC,5367,bmse000265,1
"[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,5389,bmse000266,1
"[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,5389,bmse000266,1
"[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,5389,bmse000266,1
"[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,5389,bmse000266,1
"[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,5389,bmse000266,1
formamide,IUPAC,5410,bmse000267,1
formamide,IUPAC_TRADITIONAL,5410,bmse000267,1
formamide,IUPAC_OPENEYE,5410,bmse000267,1
formamide,IUPAC_CAS,5410,bmse000267,1
methanamide,IUPAC_SYSTEMATIC,5410,bmse000267,1
(2S)-2-hydroxypropanoic acid,IUPAC,5433,bmse000269,1
lactic acid,IUPAC_TRADITIONAL,5433,bmse000269,1
lactic acid,IUPAC_OPENEYE,5433,bmse000269,1
lactic acid,IUPAC_CAS,5433,bmse000269,1
(2S)-2-hydroxypropanoic acid,IUPAC_SYSTEMATIC,5433,bmse000269,1
"[[(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,5454,bmse000270,1
"[[(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,5454,bmse000270,1
"[[(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,5454,bmse000270,1
"[[(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,5454,bmse000270,1
"[[(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,5454,bmse000270,1
"[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-(2-sulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid",IUPAC,5475,bmse000271,1
"[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[2-(2-mercaptoethylcarbamoyl)ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxyphosphonic acid",IUPAC_TRADITIONAL,5475,bmse000271,1
"[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-(2-sulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxyphosphonic acid",IUPAC_OPENEYE,5475,bmse000271,1
"[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[[2-[(2-mercaptoethylamino)-oxo-methyl]ethylamino]-oxo-methyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxyphosphonic acid",IUPAC_CAS,5475,bmse000271,1
"[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-(2-sulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid",IUPAC_SYSTEMATIC,5475,bmse000271,1
"[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,5494,bmse000272,1
"[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,5494,bmse000272,1
"[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,5494,bmse000272,1
"[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,5494,bmse000272,1
"[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,5494,bmse000272,1
(2S)-2-aminobutanedioic acid,IUPAC,5516,bmse000273,1
(2S)-2-aminosuccinic acid,IUPAC_TRADITIONAL,5516,bmse000273,1
(2S)-2-aminobutanedioic acid,IUPAC_OPENEYE,5516,bmse000273,1
(2S)-2-aminobutanedioic acid,IUPAC_CAS,5516,bmse000273,1
(2S)-2-aminobutanedioic acid,IUPAC_SYSTEMATIC,5516,bmse000273,1
"2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1-thia-3-azoniacyclopenta-2,4-dien-5-yl]ethanol",IUPAC,5538,bmse000274,1
2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-5-yl]ethanol,IUPAC_TRADITIONAL,5538,bmse000274,1
2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-5-yl]ethanol,IUPAC_OPENEYE,5538,bmse000274,1
2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-5-yl]ethanol,IUPAC_CAS,5538,bmse000274,1
"2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1-thia-3-azoniacyclopenta-2,4-dien-5-yl]ethanol",IUPAC_SYSTEMATIC,5538,bmse000274,1
"[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-phosphonooxy-oxolan-2-yl]methoxyphosphonic acid",IUPAC,5559,bmse000275,1
"[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylol-5-phosphonooxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,5559,bmse000275,1
"[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-phosphonooxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,5559,bmse000275,1
"[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-phosphonooxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_CAS,5559,bmse000275,1
"[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-phosphonooxy-oxolan-2-yl]methoxyphosphonic acid",IUPAC_SYSTEMATIC,5559,bmse000275,1
2-aminoethanol,IUPAC,5581,bmse000276,1
2-aminoethanol,IUPAC_TRADITIONAL,5581,bmse000276,1
2-aminoethanol,IUPAC_OPENEYE,5581,bmse000276,1
2-aminoethanol,IUPAC_CAS,5581,bmse000276,1
2-aminoethanol,IUPAC_SYSTEMATIC,5581,bmse000276,1
"[[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,5604,bmse000277,1
"[[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,5604,bmse000277,1
"[[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,5604,bmse000277,1
"[[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,5604,bmse000277,1
"[[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,5604,bmse000277,1
"[(2R,3S,4S)-2,3,4-trihydroxy-5-oxo-pentoxy]phosphonic acid",IUPAC,5626,bmse000278,1
"[(2R,3S,4S)-2,3,4-trihydroxy-5-oxo-pentoxy]phosphonic acid",IUPAC_TRADITIONAL,5626,bmse000278,1
"[(2R,3S,4S)-2,3,4-trihydroxy-5-oxo-pentoxy]phosphonic acid",IUPAC_OPENEYE,5626,bmse000278,1
"[(2R,3S,4S)-2,3,4-trihydroxy-5-oxo-pentoxy]phosphonic acid",IUPAC_CAS,5626,bmse000278,1
"[(2R,3S,4S)-2,3,4-trihydroxy-5-oxo-pentoxy]phosphonic acid",IUPAC_SYSTEMATIC,5626,bmse000278,1
3-(3H-imidazol-4-yl)prop-2-enoic acid,IUPAC,5647,bmse000279,1
3-(3H-imidazol-4-yl)acrylic acid,IUPAC_TRADITIONAL,5647,bmse000279,1
3-(3H-imidazol-4-yl)prop-2-enoic acid,IUPAC_OPENEYE,5647,bmse000279,1
3-(3H-imidazol-4-yl)prop-2-enoic acid,IUPAC_CAS,5647,bmse000279,1
3-(3H-imidazol-4-yl)prop-2-enoic acid,IUPAC_SYSTEMATIC,5647,bmse000279,1
"[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid",IUPAC,5668,bmse000280,1
"[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,5668,bmse000280,1
"[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,5668,bmse000280,1
"[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_CAS,5668,bmse000280,1
"[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid",IUPAC_SYSTEMATIC,5668,bmse000280,1
pyridine-3-carboxamide,IUPAC,5689,bmse000281,1
nicotinamide,IUPAC_TRADITIONAL,5689,bmse000281,1
pyridine-3-carboxamide,IUPAC_OPENEYE,5689,bmse000281,1
pyridine-3-carboxamide,IUPAC_CAS,5689,bmse000281,1
pyridine-3-carboxamide,IUPAC_SYSTEMATIC,5689,bmse000281,1
2-aminopropanoic acid,IUPAC,5710,bmse000282,1
2-aminopropanoic acid,IUPAC_TRADITIONAL,5710,bmse000282,1
2-aminopropanoic acid,IUPAC_OPENEYE,5710,bmse000282,1
2-aminopropanoic acid,IUPAC_CAS,5710,bmse000282,1
2-aminopropanoic acid,IUPAC_SYSTEMATIC,5710,bmse000282,1
"2,6-dioxo-3H-pyrimidine-4-carboxylic acid",IUPAC,5730,bmse000283,1
"2,6-dioxo-3H-pyrimidine-4-carboxylic acid",IUPAC_TRADITIONAL,5730,bmse000283,1
"2,6-dioxo-3H-pyrimidine-4-carboxylic acid",IUPAC_OPENEYE,5730,bmse000283,1
"2,6-dioxo-3H-pyrimidine-4-carboxylic acid",IUPAC_CAS,5730,bmse000283,1
"2,6-dioxo-3H-pyrimidine-4-carboxylic acid",IUPAC_SYSTEMATIC,5730,bmse000283,1
benzonitrile,IUPAC,5751,bmse000284,1
benzonitrile,IUPAC_TRADITIONAL,5751,bmse000284,1
benzonitrile,IUPAC_OPENEYE,5751,bmse000284,1
benzonitrile,IUPAC_CAS,5751,bmse000284,1
benzonitrile,IUPAC_SYSTEMATIC,5751,bmse000284,1
2-hydroxyethyl-trimethyl-azanium,IUPAC,5773,bmse000285,1
2-hydroxyethyl-trimethyl-ammonium,IUPAC_TRADITIONAL,5773,bmse000285,1
2-hydroxyethyl-trimethyl-ammonium,IUPAC_OPENEYE,5773,bmse000285,1
2-hydroxyethyl-trimethyl-ammonium,IUPAC_CAS,5773,bmse000285,1
2-hydroxyethyl-trimethyl-azanium,IUPAC_SYSTEMATIC,5773,bmse000285,1
1-phenylethanone,IUPAC,5797,bmse000286,1
acetophenone,IUPAC_TRADITIONAL,5797,bmse000286,1
1-phenylethanone,IUPAC_OPENEYE,5797,bmse000286,1
1-phenylethanone,IUPAC_CAS,5797,bmse000286,1
1-phenylethanone,IUPAC_SYSTEMATIC,5797,bmse000286,1
"3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoic acid",IUPAC,5819,bmse000287,1
"3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoic acid",IUPAC_TRADITIONAL,5819,bmse000287,1
"3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoic acid",IUPAC_OPENEYE,5819,bmse000287,1
"3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-1-oxo-butyl]amino]propanoic acid",IUPAC_CAS,5819,bmse000287,1
"3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoic acid",IUPAC_SYSTEMATIC,5819,bmse000287,1
"4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol",IUPAC,5840,bmse000288,1
"2-methyl-4,5-dimethylol-pyridin-3-ol",IUPAC_TRADITIONAL,5840,bmse000288,1
"4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol",IUPAC_OPENEYE,5840,bmse000288,1
"4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol",IUPAC_CAS,5840,bmse000288,1
"4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol",IUPAC_SYSTEMATIC,5840,bmse000288,1
"(2S)-2-amino-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methylsulfanyl]butanoic acid",IUPAC,5861,bmse000289,1
"(2S)-2-amino-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylthio]butanoic acid",IUPAC_TRADITIONAL,5861,bmse000289,1
"(2S)-2-amino-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid",IUPAC_OPENEYE,5861,bmse000289,1
"(2S)-2-amino-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylthio]butanoic acid",IUPAC_CAS,5861,bmse000289,1
"(2S)-2-amino-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methylsulfanyl]butanoic acid",IUPAC_SYSTEMATIC,5861,bmse000289,1
phenol,IUPAC,5883,bmse000290,1
phenol,IUPAC_TRADITIONAL,5883,bmse000290,1
phenol,IUPAC_OPENEYE,5883,bmse000290,1
phenol,IUPAC_CAS,5883,bmse000290,1
phenol,IUPAC_SYSTEMATIC,5883,bmse000290,1
2-amino-4-methylselanyl-butanoic acid,IUPAC,5906,bmse000291,1
2-amino-4-methylseleno-butanoic acid,IUPAC_TRADITIONAL,5906,bmse000291,1
2-amino-4-methylselanyl-butanoic acid,IUPAC_OPENEYE,5906,bmse000291,1
2-amino-4-methylseleno-butanoic acid,IUPAC_CAS,5906,bmse000291,1
2-amino-4-methylselanyl-butanoic acid,IUPAC_SYSTEMATIC,5906,bmse000291,1
"(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid",IUPAC,5927,bmse000292,1
"(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid",IUPAC_TRADITIONAL,5927,bmse000292,1
"(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid",IUPAC_OPENEYE,5927,bmse000292,1
"(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid",IUPAC_CAS,5927,bmse000292,1
"(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid",IUPAC_SYSTEMATIC,5927,bmse000292,1
"benzene-1,4-diol",IUPAC,5948,bmse000293,1
hydroquinone,IUPAC_TRADITIONAL,5948,bmse000293,1
"benzene-1,4-diol",IUPAC_OPENEYE,5948,bmse000293,1
"benzene-1,4-diol",IUPAC_CAS,5948,bmse000293,1
"benzene-1,4-diol",IUPAC_SYSTEMATIC,5948,bmse000293,1
methanol,IUPAC,5971,bmse000294,1
methanol,IUPAC_TRADITIONAL,5971,bmse000294,1
methanol,IUPAC_OPENEYE,5971,bmse000294,1
methanol,IUPAC_CAS,5971,bmse000294,1
methanol,IUPAC_SYSTEMATIC,5971,bmse000294,1
2-aminophenol,PUBCHEM_IUPAC_NAME,6297,bmse000310,1
"[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,5993,bmse000295,1
"[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,5993,bmse000295,1
"[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,5993,bmse000295,1
"[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,5993,bmse000295,1
"[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,5993,bmse000295,1
"[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxyphosphonic acid",IUPAC,6014,bmse000296,1
"[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,6014,bmse000296,1
"[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,6014,bmse000296,1
"[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_CAS,6014,bmse000296,1
"[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxyphosphonic acid",IUPAC_SYSTEMATIC,6014,bmse000296,1
ethanol,IUPAC,6034,bmse000297,1
ethanol,IUPAC_TRADITIONAL,6034,bmse000297,1
ethanol,IUPAC_OPENEYE,6034,bmse000297,1
ethanol,IUPAC_CAS,6034,bmse000297,1
ethanol,IUPAC_SYSTEMATIC,6034,bmse000297,1
"(2S)-2,3-dihydroxypropanal",IUPAC,6056,bmse000298,1
"(2S)-2,3-dihydroxypropanal",IUPAC_TRADITIONAL,6056,bmse000298,1
"(2S)-2,3-dihydroxypropanal",IUPAC_OPENEYE,6056,bmse000298,1
"(2S)-2,3-dihydroxypropanal",IUPAC_CAS,6056,bmse000298,1
"(2S)-2,3-dihydroxypropanal",IUPAC_SYSTEMATIC,6056,bmse000298,1
(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid,IUPAC,6078,bmse000299,1
(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid,IUPAC_TRADITIONAL,6078,bmse000299,1
(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid,IUPAC_OPENEYE,6078,bmse000299,1
(2S)-2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxo-methyl]amino]pentanedioic acid,IUPAC_CAS,6078,bmse000299,1
(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid,IUPAC_SYSTEMATIC,6078,bmse000299,1
benzoic acid,PUBCHEM_IUPAC_NAME,6103,bmse000300,1
benzoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,6103,bmse000300,1
benzoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,6103,bmse000300,1
benzoic acid,PUBCHEM_IUPAC_CAS_NAME,6103,bmse000300,1
benzoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,6103,bmse000300,1
"propane-1,2-diol",PUBCHEM_IUPAC_NAME,6125,bmse000302,1
"propane-1,2-diol",PUBCHEM_IUPAC_TRADITIONAL_NAME,6125,bmse000302,1
"propane-1,2-diol",PUBCHEM_IUPAC_OPENEYE_NAME,6125,bmse000302,1
"propane-1,2-diol",PUBCHEM_IUPAC_CAS_NAME,6125,bmse000302,1
"propane-1,2-diol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,6125,bmse000302,1
"propane-1,3-diol",PUBCHEM_IUPAC_NAME,6147,bmse000303,1
"propane-1,3-diol",PUBCHEM_IUPAC_TRADITIONAL_NAME,6147,bmse000303,1
"propane-1,3-diol",PUBCHEM_IUPAC_OPENEYE_NAME,6147,bmse000303,1
"propane-1,3-diol",PUBCHEM_IUPAC_CAS_NAME,6147,bmse000303,1
"propane-1,3-diol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,6147,bmse000303,1
"1,4-benzoquinone",PUBCHEM_IUPAC_CAS_NAME,6166,bmse000304,1
"cyclohexa-2,5-diene-1,4-dione",PUBCHEM_IUPAC_NAME,6166,bmse000304,1
"1,4-benzoquinone",PUBCHEM_IUPAC_OPENEYE_NAME,6166,bmse000304,1
"cyclohexa-2,5-diene-1,4-dione",PUBCHEM_IUPAC_SYSTEMATIC_NAME,6166,bmse000304,1
p-benzoquinone,PUBCHEM_IUPAC_TRADITIONAL_NAME,6166,bmse000304,1
1-aminopropan-2-ol,PUBCHEM_IUPAC_NAME,6188,bmse000305,1
1-aminopropan-2-ol,PUBCHEM_IUPAC_TRADITIONAL_NAME,6188,bmse000305,1
1-aminopropan-2-ol,PUBCHEM_IUPAC_OPENEYE_NAME,6188,bmse000305,1
1-aminopropan-2-ol,PUBCHEM_IUPAC_CAS_NAME,6188,bmse000305,1
1-aminopropan-2-ol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,6188,bmse000305,1
"(3R,5R)-1,3,4,5-tetrahydroxy-1-cyclohexanecarboxylic acid",PUBCHEM_IUPAC_CAS_NAME,6210,bmse000306,1
"(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid",PUBCHEM_IUPAC_NAME,6210,bmse000306,1
"(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid",PUBCHEM_IUPAC_OPENEYE_NAME,6210,bmse000306,1
"(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,6210,bmse000306,1
"(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,6210,bmse000306,1
2-amino-1-phenylethanol,PUBCHEM_IUPAC_NAME,6232,bmse000307,1
2-amino-1-phenyl-ethanol,PUBCHEM_IUPAC_TRADITIONAL_NAME,6232,bmse000307,1
2-amino-1-phenyl-ethanol,PUBCHEM_IUPAC_OPENEYE_NAME,6232,bmse000307,1
2-amino-1-phenylethanol,PUBCHEM_IUPAC_CAS_NAME,6232,bmse000307,1
2-amino-1-phenyl-ethanol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,6232,bmse000307,1
2-aminoethyl dihydrogen phosphate,PUBCHEM_IUPAC_NAME,6255,bmse000308,1
2-aminoethyl dihydrogen phosphate,PUBCHEM_IUPAC_TRADITIONAL_NAME,6255,bmse000308,1
2-aminoethyl dihydrogen phosphate,PUBCHEM_IUPAC_OPENEYE_NAME,6255,bmse000308,1
2-aminoethyl dihydrogen phosphate,PUBCHEM_IUPAC_CAS_NAME,6255,bmse000308,1
2-aminoethyl dihydrogen phosphate,PUBCHEM_IUPAC_SYSTEMATIC_NAME,6255,bmse000308,1
2-aminoethylphosphonic acid,PUBCHEM_IUPAC_NAME,6276,bmse000309,1
2-aminoethylphosphonic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,6276,bmse000309,1
2-aminoethylphosphonic acid,PUBCHEM_IUPAC_OPENEYE_NAME,6276,bmse000309,1
2-aminoethylphosphonic acid,PUBCHEM_IUPAC_CAS_NAME,6276,bmse000309,1
2-aminoethylphosphonic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,6276,bmse000309,1
2-aminophenol,PUBCHEM_IUPAC_TRADITIONAL_NAME,6297,bmse000310,1
2-aminophenol,PUBCHEM_IUPAC_OPENEYE_NAME,6297,bmse000310,1
2-aminophenol,PUBCHEM_IUPAC_CAS_NAME,6297,bmse000310,1
2-aminophenol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,6297,bmse000310,1
"[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate",PUBCHEM_IUPAC_NAME,6319,bmse000311,1
"[(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate",PUBCHEM_IUPAC_TRADITIONAL_NAME,6319,bmse000311,1
"[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate",PUBCHEM_IUPAC_OPENEYE_NAME,6319,bmse000311,1
"[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate",PUBCHEM_IUPAC_CAS_NAME,6319,bmse000311,1
"[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",PUBCHEM_IUPAC_SYSTEMATIC_NAME,6319,bmse000311,1
"(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",PUBCHEM_IUPAC_NAME,6341,bmse000312,1
"(2S,5R,6R)-6-amino-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,6341,bmse000312,1
"(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",PUBCHEM_IUPAC_OPENEYE_NAME,6341,bmse000312,1
"(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",PUBCHEM_IUPAC_CAS_NAME,6341,bmse000312,1
"(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,6341,bmse000312,1
"(3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol",PUBCHEM_IUPAC_NAME,6363,bmse000313,1
"(3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol",PUBCHEM_IUPAC_TRADITIONAL_NAME,6363,bmse000313,1
"(3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol",PUBCHEM_IUPAC_OPENEYE_NAME,6363,bmse000313,1
"(3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol",PUBCHEM_IUPAC_CAS_NAME,6363,bmse000313,1
"(3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,6363,bmse000313,1
"6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid",PUBCHEM_IUPAC_NAME,6385,bmse000314,1
"6-[(4R,5S)-2-keto-5-methyl-imidazolidin-4-yl]hexanoic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,6385,bmse000314,1
"6-[(4R,5S)-5-methyl-2-oxo-imidazolidin-4-yl]hexanoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,6385,bmse000314,1
"6-[(4R,5S)-5-methyl-2-oxo-4-imidazolidinyl]hexanoic acid",PUBCHEM_IUPAC_CAS_NAME,6385,bmse000314,1
"6-[(4R,5S)-5-methyl-2-oxo-imidazolidin-4-yl]hexanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,6385,bmse000314,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol",PUBCHEM_IUPAC_NAME,6407,bmse000315,1
"(2R,3S,4S,5R,6S)-2-methylol-6-(2-methylolphenoxy)tetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_TRADITIONAL_NAME,6407,bmse000315,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]tetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_OPENEYE_NAME,6407,bmse000315,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]tetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_CAS_NAME,6407,bmse000315,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,6407,bmse000315,1
"4-[(1R)-1-hydroxy-2-methylaminoethyl]benzene-1,2-diol",PUBCHEM_IUPAC_NAME,6429,bmse000316,1
4-[(1R)-1-hydroxy-2-methylamino-ethyl]pyrocatechol,PUBCHEM_IUPAC_TRADITIONAL_NAME,6429,bmse000316,1
"4-[(1R)-1-hydroxy-2-methylamino-ethyl]benzene-1,2-diol",PUBCHEM_IUPAC_OPENEYE_NAME,6429,bmse000316,1
"4-[(1R)-1-hydroxy-2-methylaminoethyl]benzene-1,2-diol",PUBCHEM_IUPAC_CAS_NAME,6429,bmse000316,1
"4-[(1R)-1-hydroxy-2-methylamino-ethyl]benzene-1,2-diol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,6429,bmse000316,1
"2,7-Dihydroxy-1-methyl-8-methylene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid",PUBCHEM_IUPAC_NAME,6451,bmse000317,1
"(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid",PUBCHEM_IUPAC_NAME,6473,bmse000318,1
"(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,6473,bmse000318,1
"(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,6473,bmse000318,1
"(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid",PUBCHEM_IUPAC_CAS_NAME,6473,bmse000318,1
"(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,6473,bmse000318,1
3-methyl-2-oxopentanoic acid,PUBCHEM_IUPAC_NAME,6495,bmse000319,1
2-keto-3-methyl-valeric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,6495,bmse000319,1
3-methyl-2-oxo-pentanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,6495,bmse000319,1
3-methyl-2-oxopentanoic acid,PUBCHEM_IUPAC_CAS_NAME,6495,bmse000319,1
3-methyl-2-oxo-pentanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,6495,bmse000319,1
"1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",PUBCHEM_IUPAC_NAME,6517,bmse000320,1
"1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone",PUBCHEM_IUPAC_TRADITIONAL_NAME,6517,bmse000320,1
"1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione",PUBCHEM_IUPAC_OPENEYE_NAME,6517,bmse000320,1
"1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione",PUBCHEM_IUPAC_CAS_NAME,6517,bmse000320,1
"1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",PUBCHEM_IUPAC_SYSTEMATIC_NAME,6517,bmse000320,1
2-amino-3-hydroxybenzoic acid,PUBCHEM_IUPAC_NAME,6537,bmse000321,1
2-amino-3-hydroxy-benzoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,6537,bmse000321,1
2-amino-3-hydroxy-benzoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,6537,bmse000321,1
2-amino-3-hydroxybenzoic acid,PUBCHEM_IUPAC_CAS_NAME,6537,bmse000321,1
2-amino-3-hydroxy-benzoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,6537,bmse000321,1
"(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid",PUBCHEM_IUPAC_CAS_NAME,6559,bmse000322,1
"(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid",PUBCHEM_IUPAC_NAME,6559,bmse000322,1
"(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,6559,bmse000322,1
"(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,6559,bmse000322,1
"(2S)-2-amino-3-(3,4-dihydroxyphenyl)propionic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,6559,bmse000322,1
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one,PUBCHEM_IUPAC_NAME,6581,bmse000323,1
4-amino-1-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)pyrimidin-2-one,PUBCHEM_IUPAC_TRADITIONAL_NAME,6581,bmse000323,1
4-amino-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one,PUBCHEM_IUPAC_OPENEYE_NAME,6581,bmse000323,1
4-amino-1-[4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone,PUBCHEM_IUPAC_CAS_NAME,6581,bmse000323,1
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one,PUBCHEM_IUPAC_SYSTEMATIC_NAME,6581,bmse000323,1
3-hydroxybenzoic acid,PUBCHEM_IUPAC_NAME,6604,bmse000324,1
3-hydroxybenzoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,6604,bmse000324,1
3-hydroxybenzoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,6604,bmse000324,1
3-hydroxybenzoic acid,PUBCHEM_IUPAC_CAS_NAME,6604,bmse000324,1
3-hydroxybenzoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,6604,bmse000324,1
2-oxobutanoic acid,PUBCHEM_IUPAC_NAME,6626,bmse000325,1
2-ketobutyric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,6626,bmse000325,1
2-oxobutanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,6626,bmse000325,1
2-oxobutanoic acid,PUBCHEM_IUPAC_CAS_NAME,6626,bmse000325,1
2-oxobutanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,6626,bmse000325,1
"2,5-dihydroxybenzoic acid",PUBCHEM_IUPAC_CAS_NAME,6647,bmse000326,1
"2,5-dihydroxybenzoic acid",PUBCHEM_IUPAC_NAME,6647,bmse000326,1
"2,5-dihydroxybenzoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,6647,bmse000326,1
"2,5-dihydroxybenzoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,6647,bmse000326,1
"2,5-dihydroxybenzoic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,6647,bmse000326,1
"(2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid",PUBCHEM_IUPAC_CAS_NAME,6670,bmse000327,1
"(2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid",PUBCHEM_IUPAC_NAME,6670,bmse000327,1
"(2S)-2-amino-3-(4-hydroxy-3,5-diiodo-phenyl)propanoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,6670,bmse000327,1
"(2S)-2-amino-3-(4-hydroxy-3,5-diiodo-phenyl)propanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,6670,bmse000327,1
"(2S)-2-amino-3-(4-hydroxy-3,5-diiodo-phenyl)propionic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,6670,bmse000327,1
"3,4-dihydroxybenzoic acid",PUBCHEM_IUPAC_CAS_NAME,6692,bmse000328,1
"3,4-dihydroxybenzoic acid",PUBCHEM_IUPAC_NAME,6692,bmse000328,1
"3,4-dihydroxybenzoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,6692,bmse000328,1
"3,4-dihydroxybenzoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,6692,bmse000328,1
"3,4-dihydroxybenzoic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,6692,bmse000328,1
"2-(3,4-dihydroxyphenyl)acetic acid",PUBCHEM_IUPAC_CAS_NAME,6714,bmse000329,1
"2-(3,4-dihydroxyphenyl)acetic acid",PUBCHEM_IUPAC_NAME,6714,bmse000329,1
"2-(3,4-dihydroxyphenyl)acetic acid",PUBCHEM_IUPAC_OPENEYE_NAME,6714,bmse000329,1
"2-(3,4-dihydroxyphenyl)ethanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,6714,bmse000329,1
"2-(3,4-dihydroxyphenyl)acetic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,6714,bmse000329,1
furan-2-carboxylic acid,PUBCHEM_IUPAC_NAME,6736,bmse000330,1
2-furoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,6736,bmse000330,1
furan-2-carboxylic acid,PUBCHEM_IUPAC_OPENEYE_NAME,6736,bmse000330,1
2-furancarboxylic acid,PUBCHEM_IUPAC_CAS_NAME,6736,bmse000330,1
furan-2-carboxylic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,6736,bmse000330,1
3-(2-hydroxyphenyl)propanoic acid,PUBCHEM_IUPAC_NAME,6758,bmse000331,1
3-(2-hydroxyphenyl)propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,6758,bmse000331,1
3-(2-hydroxyphenyl)propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,6758,bmse000331,1
3-(2-hydroxyphenyl)propanoic acid,PUBCHEM_IUPAC_CAS_NAME,6758,bmse000331,1
3-(2-hydroxyphenyl)propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,6758,bmse000331,1
2-chlorobenzoic acid,PUBCHEM_IUPAC_NAME,6780,bmse000332,1
2-chlorobenzoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,6780,bmse000332,1
2-chlorobenzoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,6780,bmse000332,1
2-chlorobenzoic acid,PUBCHEM_IUPAC_CAS_NAME,6780,bmse000332,1
2-chlorobenzoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,6780,bmse000332,1
3-(carbamoylamino)propanoic acid,PUBCHEM_IUPAC_NAME,6802,bmse000333,1
3-ureidopropionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,6802,bmse000333,1
3-ureidopropanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,6802,bmse000333,1
3-ureidopropanoic acid,PUBCHEM_IUPAC_CAS_NAME,6802,bmse000333,1
3-(aminocarbonylamino)propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,6802,bmse000333,1
"3-methylbenzene-1,2-diol",PUBCHEM_IUPAC_NAME,6824,bmse000334,1
3-methylpyrocatechol,PUBCHEM_IUPAC_TRADITIONAL_NAME,6824,bmse000334,1
"3-methylbenzene-1,2-diol",PUBCHEM_IUPAC_OPENEYE_NAME,6824,bmse000334,1
"3-methylbenzene-1,2-diol",PUBCHEM_IUPAC_CAS_NAME,6824,bmse000334,1
"3-methylbenzene-1,2-diol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,6824,bmse000334,1
3-hydroxy-3-methylpentanedioic acid,PUBCHEM_IUPAC_NAME,6847,bmse000335,1
3-hydroxy-3-methyl-glutaric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,6847,bmse000335,1
3-hydroxy-3-methyl-pentanedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,6847,bmse000335,1
3-hydroxy-3-methylpentanedioic acid,PUBCHEM_IUPAC_CAS_NAME,6847,bmse000335,1
3-hydroxy-3-methyl-pentanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,6847,bmse000335,1
"3,5-dichlorobenzene-1,2-diol",PUBCHEM_IUPAC_CAS_NAME,6868,bmse000336,1
"3,5-dichlorobenzene-1,2-diol",PUBCHEM_IUPAC_NAME,6868,bmse000336,1
"3,5-dichlorobenzene-1,2-diol",PUBCHEM_IUPAC_OPENEYE_NAME,6868,bmse000336,1
"3,5-dichlorobenzene-1,2-diol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,6868,bmse000336,1
"3,5-dichloropyrocatechol",PUBCHEM_IUPAC_TRADITIONAL_NAME,6868,bmse000336,1
(2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid,PUBCHEM_IUPAC_NAME,6890,bmse000337,1
(2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,6890,bmse000337,1
(2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,6890,bmse000337,1
(2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid,PUBCHEM_IUPAC_CAS_NAME,6890,bmse000337,1
(2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,6890,bmse000337,1
2-hydroxy-4-methylpentanoic acid,PUBCHEM_IUPAC_NAME,6913,bmse000338,1
2-hydroxy-4-methyl-valeric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,6913,bmse000338,1
2-hydroxy-4-methyl-pentanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,6913,bmse000338,1
2-hydroxy-4-methylpentanoic acid,PUBCHEM_IUPAC_CAS_NAME,6913,bmse000338,1
2-hydroxy-4-methyl-pentanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,6913,bmse000338,1
2-(3-hydroxyphenyl)acetic acid,PUBCHEM_IUPAC_NAME,6935,bmse000339,1
2-(3-hydroxyphenyl)acetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,6935,bmse000339,1
2-(3-hydroxyphenyl)acetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,6935,bmse000339,1
2-(3-hydroxyphenyl)acetic acid,PUBCHEM_IUPAC_CAS_NAME,6935,bmse000339,1
2-(3-hydroxyphenyl)ethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,6935,bmse000339,1
4-aminobutanoic acid,PUBCHEM_IUPAC_NAME,6957,bmse000340,1
4-aminobutyric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,6957,bmse000340,1
4-aminobutanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,6957,bmse000340,1
4-aminobutanoic acid,PUBCHEM_IUPAC_CAS_NAME,6957,bmse000340,1
4-aminobutanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,6957,bmse000340,1
6-oxo-1H-pyridine-3-carboxylic acid,PUBCHEM_IUPAC_NAME,6978,bmse000341,1
6-keto-1H-pyridine-3-carboxylic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,6978,bmse000341,1
6-oxo-1H-pyridine-3-carboxylic acid,PUBCHEM_IUPAC_OPENEYE_NAME,6978,bmse000341,1
6-oxo-1H-pyridine-3-carboxylic acid,PUBCHEM_IUPAC_CAS_NAME,6978,bmse000341,1
6-oxo-1H-pyridine-3-carboxylic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,6978,bmse000341,1
"(4S)-2,6-dioxo-1,3-diazinane-4-carboxylic acid",PUBCHEM_IUPAC_NAME,7000,bmse000342,1
"(4S)-2,6-diketohexahydropyrimidine-4-carboxylic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,7000,bmse000342,1
"(4S)-2,6-dioxohexahydropyrimidine-4-carboxylic acid",PUBCHEM_IUPAC_OPENEYE_NAME,7000,bmse000342,1
"(4S)-2,6-dioxo-4-hexahydropyrimidinecarboxylic acid",PUBCHEM_IUPAC_CAS_NAME,7000,bmse000342,1
"(4S)-2,6-dioxo-1,3-diazinane-4-carboxylic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,7000,bmse000342,1
4-hydroxy-3-methoxybenzaldehyde,PUBCHEM_IUPAC_NAME,7023,bmse000343,1
4-hydroxy-3-methoxy-benzaldehyde,PUBCHEM_IUPAC_TRADITIONAL_NAME,7023,bmse000343,1
4-hydroxy-3-methoxy-benzaldehyde,PUBCHEM_IUPAC_OPENEYE_NAME,7023,bmse000343,1
4-hydroxy-3-methoxybenzaldehyde,PUBCHEM_IUPAC_CAS_NAME,7023,bmse000343,1
4-hydroxy-3-methoxy-benzaldehyde,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7023,bmse000343,1
4-(diaminomethylideneamino)butanoic acid,PUBCHEM_IUPAC_NAME,7046,bmse000344,1
4-guanidinobutyric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7046,bmse000344,1
4-guanidinobutanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,7046,bmse000344,1
4-guanidinobutanoic acid,PUBCHEM_IUPAC_CAS_NAME,7046,bmse000344,1
4-(diaminomethylideneamino)butanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7046,bmse000344,1
pentanoic acid,PUBCHEM_IUPAC_NAME,7068,bmse000345,1
valeric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7068,bmse000345,1
pentanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,7068,bmse000345,1
pentanoic acid,PUBCHEM_IUPAC_CAS_NAME,7068,bmse000345,1
pentanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7068,bmse000345,1
"1,3-diazinane-2,4,6-trione",PUBCHEM_IUPAC_NAME,7089,bmse000346,1
barbituric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7089,bmse000346,1
"hexahydropyrimidine-2,4,6-trione",PUBCHEM_IUPAC_OPENEYE_NAME,7089,bmse000346,1
"hexahydropyrimidine-2,4,6-trione",PUBCHEM_IUPAC_CAS_NAME,7089,bmse000346,1
"1,3-diazinane-2,4,6-trione",PUBCHEM_IUPAC_SYSTEMATIC_NAME,7089,bmse000346,1
(E)-3-(2-hydroxyphenyl)prop-2-enoic acid,PUBCHEM_IUPAC_NAME,7110,bmse000347,1
(E)-3-(2-hydroxyphenyl)acrylic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7110,bmse000347,1
(E)-3-(2-hydroxyphenyl)prop-2-enoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,7110,bmse000347,1
(E)-3-(2-hydroxyphenyl)prop-2-enoic acid,PUBCHEM_IUPAC_CAS_NAME,7110,bmse000347,1
(E)-3-(2-hydroxyphenyl)prop-2-enoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7110,bmse000347,1
DL-3-aminoisobutyric acid,PUBCHEM_IUPAC_NAME,7129,bmse000348,1
DL-3-aminoisobutyric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7129,bmse000348,1
DL-3-aminoisobutyric acid,PUBCHEM_IUPAC_OPENEYE_NAME,7129,bmse000348,1
DL-3-aminoisobutyric acid,PUBCHEM_IUPAC_CAS_NAME,7129,bmse000348,1
DL-3-aminoisobutyric acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7129,bmse000348,1
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate",PUBCHEM_IUPAC_NAME,7144,bmse000349,1
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] dihydrogen phosphate",PUBCHEM_IUPAC_TRADITIONAL_NAME,7144,bmse000349,1
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate",PUBCHEM_IUPAC_OPENEYE_NAME,7144,bmse000349,1
"[(2R,3S,4R,5R)-5-(6-amino-9-purinyl)-4-hydroxy-2-(hydroxymethyl)-3-tetrahydrofuranyl] dihydrogen phosphate",PUBCHEM_IUPAC_CAS_NAME,7144,bmse000349,1
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate",PUBCHEM_IUPAC_SYSTEMATIC_NAME,7144,bmse000349,1
3-methylphenol,PUBCHEM_IUPAC_NAME,7166,bmse000350,1
3-methylphenol,PUBCHEM_IUPAC_TRADITIONAL_NAME,7166,bmse000350,1
3-methylphenol,PUBCHEM_IUPAC_OPENEYE_NAME,7166,bmse000350,1
3-methylphenol,PUBCHEM_IUPAC_CAS_NAME,7166,bmse000350,1
3-methylphenol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7166,bmse000350,1
hexanoic acid,PUBCHEM_IUPAC_NAME,7189,bmse000351,1
hexanoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7189,bmse000351,1
hexanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,7189,bmse000351,1
hexanoic acid,PUBCHEM_IUPAC_CAS_NAME,7189,bmse000351,1
hexanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7189,bmse000351,1
2-amino-3-methylbutanedioic acid,PUBCHEM_IUPAC_NAME,7210,bmse000352,1
2-amino-3-methyl-succinic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7210,bmse000352,1
2-amino-3-methyl-butanedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,7210,bmse000352,1
2-amino-3-methylbutanedioic acid,PUBCHEM_IUPAC_CAS_NAME,7210,bmse000352,1
2-amino-3-methyl-butanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7210,bmse000352,1
(2S)-6-acetamido-2-aminohexanoic acid,PUBCHEM_IUPAC_NAME,7232,bmse000353,1
(2S)-6-acetamido-2-amino-hexanoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7232,bmse000353,1
(2S)-6-acetamido-2-amino-hexanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,7232,bmse000353,1
(2S)-6-acetamido-2-aminohexanoic acid,PUBCHEM_IUPAC_CAS_NAME,7232,bmse000353,1
(2S)-6-acetamido-2-amino-hexanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7232,bmse000353,1
heptanedioic acid,PUBCHEM_IUPAC_NAME,7255,bmse000354,1
pimelic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7255,bmse000354,1
heptanedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,7255,bmse000354,1
heptanedioic acid,PUBCHEM_IUPAC_CAS_NAME,7255,bmse000354,1
heptanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7255,bmse000354,1
"2-(4-methyl-1,3-thiazol-5-yl)ethanol",PUBCHEM_IUPAC_NAME,7276,bmse000355,1
2-(4-methylthiazol-5-yl)ethanol,PUBCHEM_IUPAC_TRADITIONAL_NAME,7276,bmse000355,1
2-(4-methylthiazol-5-yl)ethanol,PUBCHEM_IUPAC_OPENEYE_NAME,7276,bmse000355,1
2-(4-methyl-5-thiazolyl)ethanol,PUBCHEM_IUPAC_CAS_NAME,7276,bmse000355,1
"2-(4-methyl-1,3-thiazol-5-yl)ethanol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,7276,bmse000355,1
4-methoxybenzoic acid,PUBCHEM_IUPAC_NAME,7298,bmse000356,1
4-methoxybenzoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7298,bmse000356,1
4-methoxybenzoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,7298,bmse000356,1
4-methoxybenzoic acid,PUBCHEM_IUPAC_CAS_NAME,7298,bmse000356,1
4-methoxybenzoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7298,bmse000356,1
pyrrole-2-carboxylic acid,PUBCHEM_IUPAC_NAME,7317,bmse000357,1
pyrrole-2-carboxylic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7317,bmse000357,1
pyrrole-2-carboxylic acid,PUBCHEM_IUPAC_OPENEYE_NAME,7317,bmse000357,1
pyrrole-2-carboxylic acid,PUBCHEM_IUPAC_CAS_NAME,7317,bmse000357,1
pyrrole-2-carboxylic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7317,bmse000357,1
"2-chlorobenzene-1,4-diol",PUBCHEM_IUPAC_NAME,7332,bmse000358,1
2-chlorohydroquinone,PUBCHEM_IUPAC_TRADITIONAL_NAME,7332,bmse000358,1
"2-chlorobenzene-1,4-diol",PUBCHEM_IUPAC_OPENEYE_NAME,7332,bmse000358,1
"2-chlorobenzene-1,4-diol",PUBCHEM_IUPAC_CAS_NAME,7332,bmse000358,1
"2-chlorobenzene-1,4-diol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,7332,bmse000358,1
D-3-Phenyllactic acid,PUBCHEM_IUPAC_NAME,7351,bmse000359,1
D-3-Phenyllactic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7351,bmse000359,1
D-3-Phenyllactic acid,PUBCHEM_IUPAC_OPENEYE_NAME,7351,bmse000359,1
D-3-Phenyllactic acid,PUBCHEM_IUPAC_CAS_NAME,7351,bmse000359,1
D-3-Phenyllactic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7351,bmse000359,1
2-chloroethanol,PUBCHEM_IUPAC_NAME,7366,bmse000360,1
2-chloroethanol,PUBCHEM_IUPAC_TRADITIONAL_NAME,7366,bmse000360,1
2-chloroethanol,PUBCHEM_IUPAC_OPENEYE_NAME,7366,bmse000360,1
2-chloroethanol,PUBCHEM_IUPAC_CAS_NAME,7366,bmse000360,1
2-chloroethanol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7366,bmse000360,1
(2R)-2-hydroxybutanoic acid,PUBCHEM_IUPAC_NAME,7387,bmse000361,1
(2R)-2-hydroxybutyric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7387,bmse000361,1
(2R)-2-hydroxybutanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,7387,bmse000361,1
(2R)-2-hydroxybutanoic acid,PUBCHEM_IUPAC_CAS_NAME,7387,bmse000361,1
(2R)-2-hydroxybutanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7387,bmse000361,1
but-3-yn-1-ol,PUBCHEM_IUPAC_NAME,7409,bmse000362,1
but-3-yn-1-ol,PUBCHEM_IUPAC_TRADITIONAL_NAME,7409,bmse000362,1
but-3-yn-1-ol,PUBCHEM_IUPAC_OPENEYE_NAME,7409,bmse000362,1
but-3-yn-1-ol,PUBCHEM_IUPAC_CAS_NAME,7409,bmse000362,1
but-3-yn-1-ol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7409,bmse000362,1
prop-2-yn-1-ol,PUBCHEM_IUPAC_NAME,7430,bmse000363,1
prop-2-yn-1-ol,PUBCHEM_IUPAC_TRADITIONAL_NAME,7430,bmse000363,1
prop-2-yn-1-ol,PUBCHEM_IUPAC_OPENEYE_NAME,7430,bmse000363,1
prop-2-yn-1-ol,PUBCHEM_IUPAC_CAS_NAME,7430,bmse000363,1
prop-2-yn-1-ol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7430,bmse000363,1
2-(5-hydroxy-1H-indol-3-yl)acetic acid,PUBCHEM_IUPAC_NAME,7451,bmse000364,1
2-(5-hydroxy-1H-indol-3-yl)acetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7451,bmse000364,1
2-(5-hydroxy-1H-indol-3-yl)acetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,7451,bmse000364,1
2-(5-hydroxy-1H-indol-3-yl)acetic acid,PUBCHEM_IUPAC_CAS_NAME,7451,bmse000364,1
2-(5-hydroxy-1H-indol-3-yl)ethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7451,bmse000364,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol",PUBCHEM_IUPAC_NAME,7474,bmse000365,1
"(2S,3R,4S,5S,6R)-2-(4-hydroxyphenoxy)-6-methylol-tetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_TRADITIONAL_NAME,7474,bmse000365,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)tetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_OPENEYE_NAME,7474,bmse000365,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)tetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_CAS_NAME,7474,bmse000365,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,7474,bmse000365,1
beta-carotene,PUBCHEM_IUPAC_NAME,7493,bmse000366,1
beta-carotene,PUBCHEM_IUPAC_TRADITIONAL_NAME,7493,bmse000366,1
beta-carotene,PUBCHEM_IUPAC_OPENEYE_NAME,7493,bmse000366,1
beta-carotene,PUBCHEM_IUPAC_CAS_NAME,7493,bmse000366,1
beta-carotene,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7493,bmse000366,1
2-chloroacetic acid,PUBCHEM_IUPAC_NAME,7508,bmse000367,1
2-chloroacetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7508,bmse000367,1
2-chloroacetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,7508,bmse000367,1
2-chloroacetic acid,PUBCHEM_IUPAC_CAS_NAME,7508,bmse000367,1
2-chloroethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7508,bmse000367,1
(Z)-3-chloroprop-2-enoic acid,PUBCHEM_IUPAC_NAME,7529,bmse000368,1
(Z)-3-chloroacrylic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7529,bmse000368,1
(Z)-3-chloroprop-2-enoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,7529,bmse000368,1
(Z)-3-chloroprop-2-enoic acid,PUBCHEM_IUPAC_CAS_NAME,7529,bmse000368,1
(Z)-3-chloroprop-2-enoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7529,bmse000368,1
(Z)-hex-3-en-1-ol,PUBCHEM_IUPAC_NAME,7551,bmse000369,1
(Z)-hex-3-en-1-ol,PUBCHEM_IUPAC_TRADITIONAL_NAME,7551,bmse000369,1
(Z)-hex-3-en-1-ol,PUBCHEM_IUPAC_OPENEYE_NAME,7551,bmse000369,1
(Z)-hex-3-en-1-ol,PUBCHEM_IUPAC_CAS_NAME,7551,bmse000369,1
(Z)-hex-3-en-1-ol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7551,bmse000369,1
decanoic acid,PUBCHEM_IUPAC_NAME,7573,bmse000370,1
capric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7573,bmse000370,1
decanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,7573,bmse000370,1
decanoic acid,PUBCHEM_IUPAC_CAS_NAME,7573,bmse000370,1
decanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7573,bmse000370,1
2-(2-hydroxyethylamino)ethanol,PUBCHEM_IUPAC_NAME,7594,bmse000371,1
2-(2-hydroxyethylamino)ethanol,PUBCHEM_IUPAC_TRADITIONAL_NAME,7594,bmse000371,1
2-(2-hydroxyethylamino)ethanol,PUBCHEM_IUPAC_OPENEYE_NAME,7594,bmse000371,1
2-(2-hydroxyethylamino)ethanol,PUBCHEM_IUPAC_CAS_NAME,7594,bmse000371,1
2-(2-hydroxyethylamino)ethanol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7594,bmse000371,1
azepan-2-one,PUBCHEM_IUPAC_NAME,7615,bmse000372,1
azepan-2-one,PUBCHEM_IUPAC_TRADITIONAL_NAME,7615,bmse000372,1
azepan-2-one,PUBCHEM_IUPAC_OPENEYE_NAME,7615,bmse000372,1
2-azepanone,PUBCHEM_IUPAC_CAS_NAME,7615,bmse000372,1
azepan-2-one,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7615,bmse000372,1
3-methylbutanoic acid,PUBCHEM_IUPAC_NAME,7636,bmse000373,1
3-methylbutyric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7636,bmse000373,1
3-methylbutanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,7636,bmse000373,1
3-methylbutanoic acid,PUBCHEM_IUPAC_CAS_NAME,7636,bmse000373,1
3-methylbutanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7636,bmse000373,1
lanosterol,PUBCHEM_IUPAC_NAME,7656,bmse000374,1
lanosterol,PUBCHEM_IUPAC_TRADITIONAL_NAME,7656,bmse000374,1
lanosterol,PUBCHEM_IUPAC_OPENEYE_NAME,7656,bmse000374,1
lanosterol,PUBCHEM_IUPAC_CAS_NAME,7656,bmse000374,1
lanosterol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7656,bmse000374,1
"(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one",PUBCHEM_IUPAC_NAME,7671,bmse000375,1
"(2S,5R)-2-isopropyl-5-methyl-cyclohexan-1-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,7671,bmse000375,1
"(2S,5R)-2-isopropyl-5-methyl-cyclohexan-1-one",PUBCHEM_IUPAC_OPENEYE_NAME,7671,bmse000375,1
"(2S,5R)-2-isopropyl-5-methyl-1-cyclohexanone",PUBCHEM_IUPAC_CAS_NAME,7671,bmse000375,1
"(2S,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,7671,bmse000375,1
2-(carbamoylamino)pentanedioic acid,PUBCHEM_IUPAC_NAME,7693,bmse000376,1
2-ureidoglutaric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7693,bmse000376,1
2-ureidopentanedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,7693,bmse000376,1
2-ureidopentanedioic acid,PUBCHEM_IUPAC_CAS_NAME,7693,bmse000376,1
2-(aminocarbonylamino)pentanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7693,bmse000376,1
2-phenylethanamine,PUBCHEM_IUPAC_NAME,7715,bmse000377,1
2-phenylethylamine,PUBCHEM_IUPAC_TRADITIONAL_NAME,7715,bmse000377,1
2-phenylethanamine,PUBCHEM_IUPAC_OPENEYE_NAME,7715,bmse000377,1
2-phenylethanamine,PUBCHEM_IUPAC_CAS_NAME,7715,bmse000377,1
2-phenylethanamine,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7715,bmse000377,1
octanedioic acid,PUBCHEM_IUPAC_NAME,7737,bmse000378,1
suberic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7737,bmse000378,1
octanedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,7737,bmse000378,1
octanedioic acid,PUBCHEM_IUPAC_CAS_NAME,7737,bmse000378,1
octanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7737,bmse000378,1
2-(bis(2-hydroxyethyl)amino)ethanol,PUBCHEM_IUPAC_NAME,7758,bmse000379,1
2-(bis(2-hydroxyethyl)amino)ethanol,PUBCHEM_IUPAC_TRADITIONAL_NAME,7758,bmse000379,1
2-(bis(2-hydroxyethyl)amino)ethanol,PUBCHEM_IUPAC_OPENEYE_NAME,7758,bmse000379,1
2-(bis(2-hydroxyethyl)amino)ethanol,PUBCHEM_IUPAC_CAS_NAME,7758,bmse000379,1
2-(bis(2-hydroxyethyl)amino)ethanol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7758,bmse000379,1
(2R)-2-amino-3-sulfopropanoic acid,PUBCHEM_IUPAC_NAME,7779,bmse000380,1
(2R)-2-amino-3-sulfo-propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7779,bmse000380,1
(2R)-2-amino-3-sulfo-propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,7779,bmse000380,1
(2R)-2-amino-3-sulfopropanoic acid,PUBCHEM_IUPAC_CAS_NAME,7779,bmse000380,1
(2R)-2-amino-3-sulfo-propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7779,bmse000380,1
"(3R)-3-hydroxy-4,4-dimethyloxolan-2-one",PUBCHEM_IUPAC_NAME,7801,bmse000381,1
"(3R)-3-hydroxy-4,4-dimethyl-tetrahydrofuran-2-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,7801,bmse000381,1
"(3R)-3-hydroxy-4,4-dimethyl-tetrahydrofuran-2-one",PUBCHEM_IUPAC_OPENEYE_NAME,7801,bmse000381,1
"(3R)-3-hydroxy-4,4-dimethyl-2-tetrahydrofuranone",PUBCHEM_IUPAC_CAS_NAME,7801,bmse000381,1
"(3R)-3-hydroxy-4,4-dimethyl-oxolan-2-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,7801,bmse000381,1
(2S)-2-acetamidopentanedioic acid,PUBCHEM_IUPAC_NAME,7823,bmse000382,1
(2S)-2-acetamidoglutaric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7823,bmse000382,1
(2S)-2-acetamidopentanedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,7823,bmse000382,1
(2S)-2-acetamidopentanedioic acid,PUBCHEM_IUPAC_CAS_NAME,7823,bmse000382,1
(2S)-2-acetamidopentanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7823,bmse000382,1
4-methyl-2-oxopentanoic acid,PUBCHEM_IUPAC_NAME,7846,bmse000383,1
2-keto-4-methyl-valeric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7846,bmse000383,1
4-methyl-2-oxo-pentanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,7846,bmse000383,1
4-methyl-2-oxopentanoic acid,PUBCHEM_IUPAC_CAS_NAME,7846,bmse000383,1
4-methyl-2-oxo-pentanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7846,bmse000383,1
2-(diaminomethylideneamino)acetic acid,PUBCHEM_IUPAC_NAME,7868,bmse000384,1
2-guanidinoacetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7868,bmse000384,1
2-guanidinoacetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,7868,bmse000384,1
2-guanidinoacetic acid,PUBCHEM_IUPAC_CAS_NAME,7868,bmse000384,1
2-(diaminomethylideneamino)ethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7868,bmse000384,1
"benzene-1,2-diol",PUBCHEM_IUPAC_NAME,7889,bmse000385,1
pyrocatechol,PUBCHEM_IUPAC_TRADITIONAL_NAME,7889,bmse000385,1
"benzene-1,2-diol",PUBCHEM_IUPAC_OPENEYE_NAME,7889,bmse000385,1
"benzene-1,2-diol",PUBCHEM_IUPAC_CAS_NAME,7889,bmse000385,1
"benzene-1,2-diol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,7889,bmse000385,1
Malonic acid,PUBCHEM_IUPAC_NAME,7909,bmse000386,1
Malonic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7909,bmse000386,1
Malonic acid,PUBCHEM_IUPAC_OPENEYE_NAME,7909,bmse000386,1
Malonic acid,PUBCHEM_IUPAC_CAS_NAME,7909,bmse000386,1
Malonic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7909,bmse000386,1
"(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid",PUBCHEM_IUPAC_NAME,7924,bmse000387,1
"(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,7924,bmse000387,1
"(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid",PUBCHEM_IUPAC_OPENEYE_NAME,7924,bmse000387,1
"(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid",PUBCHEM_IUPAC_CAS_NAME,7924,bmse000387,1
"(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,7924,bmse000387,1
2-aminoethanethiol,PUBCHEM_IUPAC_NAME,7947,bmse000388,1
2-aminoethanethiol,PUBCHEM_IUPAC_TRADITIONAL_NAME,7947,bmse000388,1
2-aminoethanethiol,PUBCHEM_IUPAC_OPENEYE_NAME,7947,bmse000388,1
2-aminoethanethiol,PUBCHEM_IUPAC_CAS_NAME,7947,bmse000388,1
2-aminoethanethiol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7947,bmse000388,1
"3,4,5-trihydroxybenzoic acid",PUBCHEM_IUPAC_NAME,7968,bmse000389,1
"3,4,5-trihydroxybenzoic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,7968,bmse000389,1
"3,4,5-trihydroxybenzoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,7968,bmse000389,1
"3,4,5-trihydroxybenzoic acid",PUBCHEM_IUPAC_CAS_NAME,7968,bmse000389,1
"3,4,5-trihydroxybenzoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,7968,bmse000389,1
2-aminobutanoic acid,PUBCHEM_IUPAC_NAME,7990,bmse000390,1
2-aminobutyric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,7990,bmse000390,1
2-aminobutanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,7990,bmse000390,1
2-aminobutanoic acid,PUBCHEM_IUPAC_CAS_NAME,7990,bmse000390,1
2-aminobutanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,7990,bmse000390,1
phthalic acid,PUBCHEM_IUPAC_NAME,8012,bmse000391,1
phthalic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8012,bmse000391,1
phthalic acid,PUBCHEM_IUPAC_OPENEYE_NAME,8012,bmse000391,1
phthalic acid,PUBCHEM_IUPAC_CAS_NAME,8012,bmse000391,1
phthalic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8012,bmse000391,1
prop-2-enamide,PUBCHEM_IUPAC_NAME,8035,bmse000392,1
acrylamide,PUBCHEM_IUPAC_TRADITIONAL_NAME,8035,bmse000392,1
prop-2-enamide,PUBCHEM_IUPAC_OPENEYE_NAME,8035,bmse000392,1
prop-2-enamide,PUBCHEM_IUPAC_CAS_NAME,8035,bmse000392,1
prop-2-enamide,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8035,bmse000392,1
oxalomalic acid,PUBCHEM_IUPAC_NAME,8054,bmse000393,1
oxalomalic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8054,bmse000393,1
oxalomalic acid,PUBCHEM_IUPAC_OPENEYE_NAME,8054,bmse000393,1
oxalomalic acid,PUBCHEM_IUPAC_CAS_NAME,8054,bmse000393,1
oxalomalic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8054,bmse000393,1
6-aminohexanoic acid,PUBCHEM_IUPAC_NAME,8069,bmse000394,1
6-aminohexanoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8069,bmse000394,1
6-aminohexanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,8069,bmse000394,1
6-aminohexanoic acid,PUBCHEM_IUPAC_CAS_NAME,8069,bmse000394,1
6-aminohexanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8069,bmse000394,1
2-(4-chlorophenyl)acetic acid,PUBCHEM_IUPAC_NAME,8091,bmse000395,1
2-(4-chlorophenyl)acetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8091,bmse000395,1
2-(4-chlorophenyl)acetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,8091,bmse000395,1
2-(4-chlorophenyl)acetic acid,PUBCHEM_IUPAC_CAS_NAME,8091,bmse000395,1
2-(4-chlorophenyl)ethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8091,bmse000395,1
2-methylamino-1-phenylethanol,PUBCHEM_IUPAC_NAME,8113,bmse000396,1
2-methylamino-1-phenyl-ethanol,PUBCHEM_IUPAC_TRADITIONAL_NAME,8113,bmse000396,1
2-methylamino-1-phenyl-ethanol,PUBCHEM_IUPAC_OPENEYE_NAME,8113,bmse000396,1
2-methylamino-1-phenylethanol,PUBCHEM_IUPAC_CAS_NAME,8113,bmse000396,1
2-methylamino-1-phenyl-ethanol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8113,bmse000396,1
2-amino-4-methylsulfinylbutanoic acid,PUBCHEM_IUPAC_NAME,8136,bmse000397,1
2-amino-4-methylsulfinyl-butyric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8136,bmse000397,1
2-amino-4-methylsulfinyl-butanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,8136,bmse000397,1
2-amino-4-methylsulfinylbutanoic acid,PUBCHEM_IUPAC_CAS_NAME,8136,bmse000397,1
2-amino-4-methylsulfinyl-butanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8136,bmse000397,1
2-methylpropanedioic acid,PUBCHEM_IUPAC_NAME,8158,bmse000398,1
2-methylmalonic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8158,bmse000398,1
2-methylpropanedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,8158,bmse000398,1
2-methylpropanedioic acid,PUBCHEM_IUPAC_CAS_NAME,8158,bmse000398,1
2-methylpropanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8158,bmse000398,1
(2S)-2-amino-3-phosphonooxypropanoic acid,PUBCHEM_IUPAC_NAME,8180,bmse000399,1
(2S)-2-amino-3-phosphonooxy-propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8180,bmse000399,1
(2S)-2-amino-3-phosphonooxy-propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,8180,bmse000399,1
(2S)-2-amino-3-phosphonooxypropanoic acid,PUBCHEM_IUPAC_CAS_NAME,8180,bmse000399,1
(2S)-2-amino-3-phosphonooxy-propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8180,bmse000399,1
ethanesulfonate,PUBCHEM_IUPAC_NAME,8202,bmse000400,1
esylate,PUBCHEM_IUPAC_TRADITIONAL_NAME,8202,bmse000400,1
ethanesulfonate,PUBCHEM_IUPAC_OPENEYE_NAME,8202,bmse000400,1
ethanesulfonate,PUBCHEM_IUPAC_CAS_NAME,8202,bmse000400,1
ethanesulfonate,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8202,bmse000400,1
"2,6-diaminoheptanedioic acid",PUBCHEM_IUPAC_CAS_NAME,8223,bmse000401,1
"2,6-diaminoheptanedioic acid",PUBCHEM_IUPAC_NAME,8223,bmse000401,1
"2,6-diaminoheptanedioic acid",PUBCHEM_IUPAC_OPENEYE_NAME,8223,bmse000401,1
"2,6-diaminoheptanedioic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,8223,bmse000401,1
"2,6-diaminopimelic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,8223,bmse000401,1
butanoic acid,PUBCHEM_IUPAC_NAME,8245,bmse000402,1
butyric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8245,bmse000402,1
butyric acid,PUBCHEM_IUPAC_OPENEYE_NAME,8245,bmse000402,1
butyric acid,PUBCHEM_IUPAC_CAS_NAME,8245,bmse000402,1
butanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8245,bmse000402,1
(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid,PUBCHEM_IUPAC_NAME,8266,bmse000403,1
(2S)-2-(alanylamino)propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8266,bmse000403,1
(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,8266,bmse000403,1
(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]propanoic acid,PUBCHEM_IUPAC_CAS_NAME,8266,bmse000403,1
(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8266,bmse000403,1
"4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol",PUBCHEM_IUPAC_NAME,8289,bmse000404,1
4-[(1R)-2-amino-1-hydroxy-ethyl]pyrocatechol,PUBCHEM_IUPAC_TRADITIONAL_NAME,8289,bmse000404,1
"4-[(1R)-2-amino-1-hydroxy-ethyl]benzene-1,2-diol",PUBCHEM_IUPAC_OPENEYE_NAME,8289,bmse000404,1
"4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol",PUBCHEM_IUPAC_CAS_NAME,8289,bmse000404,1
"4-[(1R)-2-amino-1-hydroxy-ethyl]benzene-1,2-diol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,8289,bmse000404,1
cyclohexanone,PUBCHEM_IUPAC_NAME,8311,bmse000405,1
cyclohexanone,PUBCHEM_IUPAC_TRADITIONAL_NAME,8311,bmse000405,1
cyclohexanone,PUBCHEM_IUPAC_OPENEYE_NAME,8311,bmse000405,1
cyclohexanone,PUBCHEM_IUPAC_CAS_NAME,8311,bmse000405,1
cyclohexanone,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8311,bmse000405,1
pentanedioic acid,PUBCHEM_IUPAC_NAME,8332,bmse000406,1
glutaric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8332,bmse000406,1
glutaric acid,PUBCHEM_IUPAC_OPENEYE_NAME,8332,bmse000406,1
glutaric acid,PUBCHEM_IUPAC_CAS_NAME,8332,bmse000406,1
pentanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8332,bmse000406,1
phenylmethanol,PUBCHEM_IUPAC_NAME,8353,bmse000407,1
phenylmethanol,PUBCHEM_IUPAC_TRADITIONAL_NAME,8353,bmse000407,1
phenylmethanol,PUBCHEM_IUPAC_OPENEYE_NAME,8353,bmse000407,1
phenylmethanol,PUBCHEM_IUPAC_CAS_NAME,8353,bmse000407,1
phenylmethanol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8353,bmse000407,1
2-(benzoylamino)acetic acid,PUBCHEM_IUPAC_NAME,8375,bmse000408,1
2-(benzoylamino)acetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8375,bmse000408,1
2-(benzoylamino)acetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,8375,bmse000408,1
2-[(oxo-phenylmethyl)amino]acetic acid,PUBCHEM_IUPAC_CAS_NAME,8375,bmse000408,1
2-(phenylcarbonylamino)ethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8375,bmse000408,1
2-hydroxy-3-(1H-indol-3-yl)propanoic acid,PUBCHEM_IUPAC_NAME,8398,bmse000409,1
2-hydroxy-3-(1H-indol-3-yl)propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8398,bmse000409,1
2-hydroxy-3-(1H-indol-3-yl)propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,8398,bmse000409,1
2-hydroxy-3-(1H-indol-3-yl)propanoic acid,PUBCHEM_IUPAC_CAS_NAME,8398,bmse000409,1
2-hydroxy-3-(1H-indol-3-yl)propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8398,bmse000409,1
4-oxo-1H-quinoline-2-carboxylic acid,PUBCHEM_IUPAC_NAME,8420,bmse000410,1
4-keto-1H-quinoline-2-carboxylic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8420,bmse000410,1
4-oxo-1H-quinoline-2-carboxylic acid,PUBCHEM_IUPAC_OPENEYE_NAME,8420,bmse000410,1
4-oxo-1H-quinoline-2-carboxylic acid,PUBCHEM_IUPAC_CAS_NAME,8420,bmse000410,1
4-oxo-1H-quinoline-2-carboxylic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8420,bmse000410,1
(2S)-2-aminohexanoic acid,PUBCHEM_IUPAC_NAME,8443,bmse000411,1
(2S)-2-aminohexanoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8443,bmse000411,1
(2S)-2-aminohexanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,8443,bmse000411,1
(2S)-2-aminohexanoic acid,PUBCHEM_IUPAC_CAS_NAME,8443,bmse000411,1
(2S)-2-aminohexanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8443,bmse000411,1
chroman-2-one,PUBCHEM_IUPAC_NAME,8465,bmse000412,1
chroman-2-one,PUBCHEM_IUPAC_TRADITIONAL_NAME,8465,bmse000412,1
chroman-2-one,PUBCHEM_IUPAC_OPENEYE_NAME,8465,bmse000412,1
2-chromanone,PUBCHEM_IUPAC_CAS_NAME,8465,bmse000412,1
chroman-2-one,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8465,bmse000412,1
3-hydroxy-2-phenylpropanoic acid,PUBCHEM_IUPAC_NAME,8488,bmse000413,1
3-hydroxy-2-phenyl-propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8488,bmse000413,1
3-hydroxy-2-phenyl-propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,8488,bmse000413,1
3-hydroxy-2-phenylpropanoic acid,PUBCHEM_IUPAC_CAS_NAME,8488,bmse000413,1
3-hydroxy-2-phenyl-propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8488,bmse000413,1
4-methylbenzoic acid,PUBCHEM_IUPAC_NAME,8510,bmse000414,1
4-methylbenzoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8510,bmse000414,1
4-methylbenzoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,8510,bmse000414,1
4-methylbenzoic acid,PUBCHEM_IUPAC_CAS_NAME,8510,bmse000414,1
4-methylbenzoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8510,bmse000414,1
"benzene-1,3-diol",PUBCHEM_IUPAC_NAME,8532,bmse000415,1
resorcinol,PUBCHEM_IUPAC_TRADITIONAL_NAME,8532,bmse000415,1
"benzene-1,3-diol",PUBCHEM_IUPAC_OPENEYE_NAME,8532,bmse000415,1
"benzene-1,3-diol",PUBCHEM_IUPAC_CAS_NAME,8532,bmse000415,1
"benzene-1,3-diol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,8532,bmse000415,1
but-2-ynedioic acid,PUBCHEM_IUPAC_NAME,8554,bmse000416,1
but-2-ynedioic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8554,bmse000416,1
but-2-ynedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,8554,bmse000416,1
but-2-ynedioic acid,PUBCHEM_IUPAC_CAS_NAME,8554,bmse000416,1
but-2-ynedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8554,bmse000416,1
quinoline-2-carboxylic acid,PUBCHEM_IUPAC_NAME,8572,bmse000417,1
quinaldic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8572,bmse000417,1
quinoline-2-carboxylic acid,PUBCHEM_IUPAC_OPENEYE_NAME,8572,bmse000417,1
2-quinolinecarboxylic acid,PUBCHEM_IUPAC_CAS_NAME,8572,bmse000417,1
quinoline-2-carboxylic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8572,bmse000417,1
Phosphonoacetic acid,PUBCHEM_IUPAC_NAME,8591,bmse000418,1
Phosphonoacetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8591,bmse000418,1
Phosphonoacetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,8591,bmse000418,1
Phosphonoacetic acid,PUBCHEM_IUPAC_CAS_NAME,8591,bmse000418,1
Phosphonoacetic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8591,bmse000418,1
5-Aminovaleric acid,PUBCHEM_IUPAC_NAME,8606,bmse000419,1
5-Aminovaleric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8606,bmse000419,1
5-Aminovaleric acid,PUBCHEM_IUPAC_OPENEYE_NAME,8606,bmse000419,1
5-Aminovaleric acid,PUBCHEM_IUPAC_CAS_NAME,8606,bmse000419,1
5-Aminovaleric acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8606,bmse000419,1
"4-chlorobenzene-1,2-diol",PUBCHEM_IUPAC_NAME,8622,bmse000420,1
4-chloropyrocatechol,PUBCHEM_IUPAC_TRADITIONAL_NAME,8622,bmse000420,1
"4-chlorobenzene-1,2-diol",PUBCHEM_IUPAC_OPENEYE_NAME,8622,bmse000420,1
"4-chlorobenzene-1,2-diol",PUBCHEM_IUPAC_CAS_NAME,8622,bmse000420,1
"4-chlorobenzene-1,2-diol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,8622,bmse000420,1
6-amino-5-methyl-1H-pyrimidin-2-one,PUBCHEM_IUPAC_NAME,8645,bmse000421,1
6-amino-5-methyl-1H-pyrimidin-2-one,PUBCHEM_IUPAC_TRADITIONAL_NAME,8645,bmse000421,1
6-amino-5-methyl-1H-pyrimidin-2-one,PUBCHEM_IUPAC_OPENEYE_NAME,8645,bmse000421,1
6-amino-5-methyl-1H-pyrimidin-2-one,PUBCHEM_IUPAC_CAS_NAME,8645,bmse000421,1
6-azanyl-5-methyl-1H-pyrimidin-2-one,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8645,bmse000421,1
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal,PUBCHEM_IUPAC_NAME,8668,bmse000422,1
(E)-3-(4-hydroxy-3-methoxy-phenyl)acrolein,PUBCHEM_IUPAC_TRADITIONAL_NAME,8668,bmse000422,1
(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enal,PUBCHEM_IUPAC_OPENEYE_NAME,8668,bmse000422,1
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal,PUBCHEM_IUPAC_CAS_NAME,8668,bmse000422,1
(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enal,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8668,bmse000422,1
(2S)-2-acetamidobutanedioic acid,PUBCHEM_IUPAC_NAME,8691,bmse000423,1
(2S)-2-acetamidosuccinic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8691,bmse000423,1
(2S)-2-acetamidobutanedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,8691,bmse000423,1
(2S)-2-acetamidobutanedioic acid,PUBCHEM_IUPAC_CAS_NAME,8691,bmse000423,1
(2S)-2-acetamidobutanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8691,bmse000423,1
hexanedioic acid,PUBCHEM_IUPAC_NAME,8714,bmse000424,1
adipic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8714,bmse000424,1
adipic acid,PUBCHEM_IUPAC_OPENEYE_NAME,8714,bmse000424,1
adipic acid,PUBCHEM_IUPAC_CAS_NAME,8714,bmse000424,1
hexanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8714,bmse000424,1
"1,3-diazinane-2,4-dione",PUBCHEM_IUPAC_NAME,8735,bmse000425,1
"5,6-dihydrouracil",PUBCHEM_IUPAC_TRADITIONAL_NAME,8735,bmse000425,1
"hexahydropyrimidine-2,4-dione",PUBCHEM_IUPAC_OPENEYE_NAME,8735,bmse000425,1
"hexahydropyrimidine-2,4-dione",PUBCHEM_IUPAC_CAS_NAME,8735,bmse000425,1
"1,3-diazinane-2,4-dione",PUBCHEM_IUPAC_SYSTEMATIC_NAME,8735,bmse000425,1
"N,N-dimethylmethanamine oxide",PUBCHEM_IUPAC_NAME,8756,bmse000426,1
"N,N-dimethylmethanamine oxide",PUBCHEM_IUPAC_TRADITIONAL_NAME,8756,bmse000426,1
"N,N-dimethylmethanamine oxide",PUBCHEM_IUPAC_OPENEYE_NAME,8756,bmse000426,1
"N,N-dimethylmethanamine oxide",PUBCHEM_IUPAC_CAS_NAME,8756,bmse000426,1
"N,N-dimethylmethanamine oxide",PUBCHEM_IUPAC_SYSTEMATIC_NAME,8756,bmse000426,1
2-phenylacetaldehyde,PUBCHEM_IUPAC_NAME,8777,bmse000427,1
2-phenylacetaldehyde,PUBCHEM_IUPAC_TRADITIONAL_NAME,8777,bmse000427,1
2-phenylacetaldehyde,PUBCHEM_IUPAC_OPENEYE_NAME,8777,bmse000427,1
2-phenylacetaldehyde,PUBCHEM_IUPAC_CAS_NAME,8777,bmse000427,1
2-phenylethanal,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8777,bmse000427,1
(2R)-2-hydroxy-2-methylbutanedioic acid,PUBCHEM_IUPAC_NAME,8792,bmse000428,1
(2R)-2-hydroxy-2-methyl-succinic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8792,bmse000428,1
(2R)-2-hydroxy-2-methyl-butanedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,8792,bmse000428,1
(2R)-2-hydroxy-2-methylbutanedioic acid,PUBCHEM_IUPAC_CAS_NAME,8792,bmse000428,1
(2R)-2-hydroxy-2-methyl-butanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8792,bmse000428,1
2-aminohexanedioic acid,PUBCHEM_IUPAC_NAME,8813,bmse000429,1
2-aminoadipic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8813,bmse000429,1
2-aminohexanedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,8813,bmse000429,1
2-aminohexanedioic acid,PUBCHEM_IUPAC_CAS_NAME,8813,bmse000429,1
2-aminohexanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8813,bmse000429,1
2-amino-4-sulfanylbutanoic acid,PUBCHEM_IUPAC_NAME,8836,bmse000430,1
2-amino-4-mercapto-butyric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8836,bmse000430,1
2-amino-4-sulfanyl-butanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,8836,bmse000430,1
2-amino-4-mercaptobutanoic acid,PUBCHEM_IUPAC_CAS_NAME,8836,bmse000430,1
2-amino-4-sulfanyl-butanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8836,bmse000430,1
cyclohexanol,PUBCHEM_IUPAC_NAME,8858,bmse000431,1
cyclohexanol,PUBCHEM_IUPAC_TRADITIONAL_NAME,8858,bmse000431,1
cyclohexanol,PUBCHEM_IUPAC_OPENEYE_NAME,8858,bmse000431,1
cyclohexanol,PUBCHEM_IUPAC_CAS_NAME,8858,bmse000431,1
cyclohexanol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8858,bmse000431,1
pyridine,PUBCHEM_IUPAC_NAME,8880,bmse000432,1
pyridine,PUBCHEM_IUPAC_TRADITIONAL_NAME,8880,bmse000432,1
pyridine,PUBCHEM_IUPAC_OPENEYE_NAME,8880,bmse000432,1
pyridine,PUBCHEM_IUPAC_CAS_NAME,8880,bmse000432,1
pyridine,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8880,bmse000432,1
2-methylphenol,PUBCHEM_IUPAC_NAME,8902,bmse000433,1
2-methylphenol,PUBCHEM_IUPAC_TRADITIONAL_NAME,8902,bmse000433,1
2-methylphenol,PUBCHEM_IUPAC_OPENEYE_NAME,8902,bmse000433,1
2-methylphenol,PUBCHEM_IUPAC_CAS_NAME,8902,bmse000433,1
2-methylphenol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8902,bmse000433,1
2-acetyloxyethyl(trimethyl)azanium,PUBCHEM_IUPAC_NAME,8924,bmse000434,1
2-acetoxyethyl(trimethyl)ammonium,PUBCHEM_IUPAC_TRADITIONAL_NAME,8924,bmse000434,1
2-acetoxyethyl(trimethyl)ammonium,PUBCHEM_IUPAC_OPENEYE_NAME,8924,bmse000434,1
2-acetyloxyethyl(trimethyl)ammonium,PUBCHEM_IUPAC_CAS_NAME,8924,bmse000434,1
2-acetyloxyethyl(trimethyl)azanium,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8924,bmse000434,1
(E)-pent-2-enedioic acid,PUBCHEM_IUPAC_NAME,8945,bmse000435,1
(E)-pent-2-enedioic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,8945,bmse000435,1
(E)-pent-2-enedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,8945,bmse000435,1
(E)-pent-2-enedioic acid,PUBCHEM_IUPAC_CAS_NAME,8945,bmse000435,1
(E)-pent-2-enedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8945,bmse000435,1
2-methoxyphenol,PUBCHEM_IUPAC_NAME,8967,bmse000436,1
2-methoxyphenol,PUBCHEM_IUPAC_TRADITIONAL_NAME,8967,bmse000436,1
2-methoxyphenol,PUBCHEM_IUPAC_OPENEYE_NAME,8967,bmse000436,1
2-methoxyphenol,PUBCHEM_IUPAC_CAS_NAME,8967,bmse000436,1
2-methoxyphenol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,8967,bmse000436,1
"(2,5-dioxoimidazolidin-4-yl)urea",PUBCHEM_IUPAC_NAME,8989,bmse000437,1
"(2,5-diketoimidazolidin-4-yl)urea",PUBCHEM_IUPAC_TRADITIONAL_NAME,8989,bmse000437,1
"(2,5-dioxoimidazolidin-4-yl)urea",PUBCHEM_IUPAC_OPENEYE_NAME,8989,bmse000437,1
"(2,5-dioxo-4-imidazolidinyl)urea",PUBCHEM_IUPAC_CAS_NAME,8989,bmse000437,1
"(2,5-dioxoimidazolidin-4-yl)urea",PUBCHEM_IUPAC_SYSTEMATIC_NAME,8989,bmse000437,1
4-chlorobenzoic acid,PUBCHEM_IUPAC_NAME,9011,bmse000438,1
4-chlorobenzoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,9011,bmse000438,1
4-chlorobenzoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,9011,bmse000438,1
4-chlorobenzoic acid,PUBCHEM_IUPAC_CAS_NAME,9011,bmse000438,1
4-chlorobenzoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9011,bmse000438,1
2-methylpropanoic acid,PUBCHEM_IUPAC_NAME,9034,bmse000439,1
isobutyric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,9034,bmse000439,1
2-methylpropanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,9034,bmse000439,1
2-methylpropanoic acid,PUBCHEM_IUPAC_CAS_NAME,9034,bmse000439,1
2-methylpropanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9034,bmse000439,1
"(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid",PUBCHEM_IUPAC_NAME,9056,bmse000440,1
"(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxy-hexanoic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,9056,bmse000440,1
"(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxy-hexanoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,9056,bmse000440,1
"(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid",PUBCHEM_IUPAC_CAS_NAME,9056,bmse000440,1
"(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxy-hexanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,9056,bmse000440,1
2-(4-hydroxyphenyl)acetonitrile,PUBCHEM_IUPAC_NAME,9078,bmse000441,1
2-(4-hydroxyphenyl)acetonitrile,PUBCHEM_IUPAC_TRADITIONAL_NAME,9078,bmse000441,1
2-(4-hydroxyphenyl)acetonitrile,PUBCHEM_IUPAC_OPENEYE_NAME,9078,bmse000441,1
2-(4-hydroxyphenyl)acetonitrile,PUBCHEM_IUPAC_CAS_NAME,9078,bmse000441,1
2-(4-hydroxyphenyl)ethanenitrile,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9078,bmse000441,1
(2S)-2-amino-6-(carbamoylamino)hexanoic acid,PUBCHEM_IUPAC_NAME,9100,bmse000442,1
(2S)-2-amino-6-ureido-hexanoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,9100,bmse000442,1
(2S)-2-amino-6-ureido-hexanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,9100,bmse000442,1
(2S)-2-amino-6-ureidohexanoic acid,PUBCHEM_IUPAC_CAS_NAME,9100,bmse000442,1
(2S)-2-amino-6-(aminocarbonylamino)hexanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9100,bmse000442,1
"5-(hydroxymethyl)-1H-pyrimidine-2,4-dione",PUBCHEM_IUPAC_NAME,9122,bmse000443,1
5-methyloluracil,PUBCHEM_IUPAC_TRADITIONAL_NAME,9122,bmse000443,1
"5-(hydroxymethyl)-1H-pyrimidine-2,4-dione",PUBCHEM_IUPAC_OPENEYE_NAME,9122,bmse000443,1
"5-(hydroxymethyl)-1H-pyrimidine-2,4-dione",PUBCHEM_IUPAC_CAS_NAME,9122,bmse000443,1
"5-(hydroxymethyl)-1H-pyrimidine-2,4-dione",PUBCHEM_IUPAC_SYSTEMATIC_NAME,9122,bmse000443,1
4-(hydroxymethyl)-2-methoxyphenol,PUBCHEM_IUPAC_NAME,9145,bmse000444,1
2-methoxy-4-methylol-phenol,PUBCHEM_IUPAC_TRADITIONAL_NAME,9145,bmse000444,1
4-(hydroxymethyl)-2-methoxy-phenol,PUBCHEM_IUPAC_OPENEYE_NAME,9145,bmse000444,1
4-(hydroxymethyl)-2-methoxyphenol,PUBCHEM_IUPAC_CAS_NAME,9145,bmse000444,1
4-(hydroxymethyl)-2-methoxy-phenol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9145,bmse000444,1
"(2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide",PUBCHEM_IUPAC_NAME,9164,bmse000445,1
"(2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-butyramide",PUBCHEM_IUPAC_TRADITIONAL_NAME,9164,bmse000445,1
"(2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-butanamide",PUBCHEM_IUPAC_OPENEYE_NAME,9164,bmse000445,1
"(2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide",PUBCHEM_IUPAC_CAS_NAME,9164,bmse000445,1
"(2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-butanamide",PUBCHEM_IUPAC_SYSTEMATIC_NAME,9164,bmse000445,1
propan-1-ol,PUBCHEM_IUPAC_NAME,9186,bmse000446,1
propan-1-ol,PUBCHEM_IUPAC_TRADITIONAL_NAME,9186,bmse000446,1
propan-1-ol,PUBCHEM_IUPAC_OPENEYE_NAME,9186,bmse000446,1
propan-1-ol,PUBCHEM_IUPAC_CAS_NAME,9186,bmse000446,1
propan-1-ol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9186,bmse000446,1
butan-1-ol,PUBCHEM_IUPAC_NAME,9207,bmse000447,1
butan-1-ol,PUBCHEM_IUPAC_TRADITIONAL_NAME,9207,bmse000447,1
butan-1-ol,PUBCHEM_IUPAC_OPENEYE_NAME,9207,bmse000447,1
butan-1-ol,PUBCHEM_IUPAC_CAS_NAME,9207,bmse000447,1
butan-1-ol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9207,bmse000447,1
(2S)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol,PUBCHEM_IUPAC_NAME,9228,bmse000448,1
(2S)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol,PUBCHEM_IUPAC_TRADITIONAL_NAME,9228,bmse000448,1
(2S)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol,PUBCHEM_IUPAC_OPENEYE_NAME,9228,bmse000448,1
(2S)-2-amino-3-(1H-imidazol-5-yl)-1-propanol,PUBCHEM_IUPAC_CAS_NAME,9228,bmse000448,1
(2S)-2-azanyl-3-(1H-imidazol-5-yl)propan-1-ol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9228,bmse000448,1
(2S)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid,PUBCHEM_IUPAC_NAME,9251,bmse000449,1
(2S)-2-amino-3-(1-methylimidazol-4-yl)propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,9251,bmse000449,1
(2S)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,9251,bmse000449,1
(2S)-2-amino-3-(1-methyl-4-imidazolyl)propanoic acid,PUBCHEM_IUPAC_CAS_NAME,9251,bmse000449,1
(2S)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9251,bmse000449,1
(2R)-2-amino-4-methylsulfanylbutanoic acid,PUBCHEM_IUPAC_NAME,9274,bmse000450,1
(2R)-2-amino-4-(methylthio)butyric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,9274,bmse000450,1
(2R)-2-amino-4-methylsulfanyl-butanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,9274,bmse000450,1
(2R)-2-amino-4-(methylthio)butanoic acid,PUBCHEM_IUPAC_CAS_NAME,9274,bmse000450,1
(2R)-2-amino-4-methylsulfanyl-butanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9274,bmse000450,1
cyclohexanamine,PUBCHEM_IUPAC_NAME,9297,bmse000451,1
cyclohexylamine,PUBCHEM_IUPAC_TRADITIONAL_NAME,9297,bmse000451,1
cyclohexanamine,PUBCHEM_IUPAC_OPENEYE_NAME,9297,bmse000451,1
cyclohexanamine,PUBCHEM_IUPAC_CAS_NAME,9297,bmse000451,1
cyclohexanamine,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9297,bmse000451,1
2-aminoethanesulfinic acid,PUBCHEM_IUPAC_NAME,9319,bmse000452,1
2-aminoethanesulfinic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,9319,bmse000452,1
2-aminoethanesulfinic acid,PUBCHEM_IUPAC_OPENEYE_NAME,9319,bmse000452,1
2-aminoethanesulfinic acid,PUBCHEM_IUPAC_CAS_NAME,9319,bmse000452,1
2-aminoethanesulfinic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9319,bmse000452,1
2-(carbamoylamino)butanedioic acid,PUBCHEM_IUPAC_NAME,9340,bmse000453,1
2-ureidosuccinic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,9340,bmse000453,1
2-ureidobutanedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,9340,bmse000453,1
2-ureidobutanedioic acid,PUBCHEM_IUPAC_CAS_NAME,9340,bmse000453,1
2-(aminocarbonylamino)butanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9340,bmse000453,1
7H-purine,PUBCHEM_IUPAC_NAME,9362,bmse000454,1
7H-purine,PUBCHEM_IUPAC_TRADITIONAL_NAME,9362,bmse000454,1
7H-purine,PUBCHEM_IUPAC_OPENEYE_NAME,9362,bmse000454,1
7H-purine,PUBCHEM_IUPAC_CAS_NAME,9362,bmse000454,1
7H-purine,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9362,bmse000454,1
2-(4-hydroxyphenyl)acetic acid,PUBCHEM_IUPAC_NAME,9384,bmse000455,1
2-(4-hydroxyphenyl)acetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,9384,bmse000455,1
2-(4-hydroxyphenyl)acetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,9384,bmse000455,1
2-(4-hydroxyphenyl)acetic acid,PUBCHEM_IUPAC_CAS_NAME,9384,bmse000455,1
2-(4-hydroxyphenyl)ethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9384,bmse000455,1
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid,PUBCHEM_IUPAC_NAME,9407,bmse000457,1
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,9407,bmse000457,1
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,9407,bmse000457,1
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid,PUBCHEM_IUPAC_CAS_NAME,9407,bmse000457,1
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9407,bmse000457,1
4-methylphenol,PUBCHEM_IUPAC_NAME,9430,bmse000458,1
4-methylphenol,PUBCHEM_IUPAC_TRADITIONAL_NAME,9430,bmse000458,1
4-methylphenol,PUBCHEM_IUPAC_OPENEYE_NAME,9430,bmse000458,1
4-methylphenol,PUBCHEM_IUPAC_CAS_NAME,9430,bmse000458,1
4-methylphenol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9430,bmse000458,1
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid,PUBCHEM_IUPAC_NAME,9453,bmse000459,1
(E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,9453,bmse000459,1
(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,9453,bmse000459,1
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid,PUBCHEM_IUPAC_CAS_NAME,9453,bmse000459,1
3-methylbut-2-enal,PUBCHEM_IUPAC_CAS_NAME,9781,bmse000474,1
(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9453,bmse000459,1
(Z)-4-amino-4-oxobut-2-enoic acid,PUBCHEM_IUPAC_NAME,9476,bmse000460,1
(Z)-4-amino-4-keto-but-2-enoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,9476,bmse000460,1
(Z)-4-amino-4-oxo-but-2-enoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,9476,bmse000460,1
(Z)-4-amino-4-oxobut-2-enoic acid,PUBCHEM_IUPAC_CAS_NAME,9476,bmse000460,1
(Z)-4-amino-4-oxo-but-2-enoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9476,bmse000460,1
4-chlorophenol,PUBCHEM_IUPAC_NAME,9498,bmse000461,1
4-chlorophenol,PUBCHEM_IUPAC_TRADITIONAL_NAME,9498,bmse000461,1
4-chlorophenol,PUBCHEM_IUPAC_OPENEYE_NAME,9498,bmse000461,1
4-chlorophenol,PUBCHEM_IUPAC_CAS_NAME,9498,bmse000461,1
4-chlorophenol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9498,bmse000461,1
4-aminophenol,PUBCHEM_IUPAC_NAME,9520,bmse000462,1
4-aminophenol,PUBCHEM_IUPAC_TRADITIONAL_NAME,9520,bmse000462,1
4-aminophenol,PUBCHEM_IUPAC_OPENEYE_NAME,9520,bmse000462,1
4-aminophenol,PUBCHEM_IUPAC_CAS_NAME,9520,bmse000462,1
4-aminophenol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9520,bmse000462,1
"(2E,4E)-hexa-2,4-dienedioic acid",PUBCHEM_IUPAC_NAME,9542,bmse000463,1
"(2E,4E)-hexa-2,4-dienedioic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,9542,bmse000463,1
"(2E,4E)-hexa-2,4-dienedioic acid",PUBCHEM_IUPAC_OPENEYE_NAME,9542,bmse000463,1
"(2E,4E)-hexa-2,4-dienedioic acid",PUBCHEM_IUPAC_CAS_NAME,9542,bmse000463,1
"(2E,4E)-hexa-2,4-dienedioic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,9542,bmse000463,1
(3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate,PUBCHEM_IUPAC_NAME,9564,bmse000464,1
(3R)-3-acetoxy-4-(trimethylammonio)butyrate,PUBCHEM_IUPAC_TRADITIONAL_NAME,9564,bmse000464,1
(3R)-3-acetoxy-4-(trimethylammonio)butanoate,PUBCHEM_IUPAC_OPENEYE_NAME,9564,bmse000464,1
(3R)-3-acetyloxy-4-(trimethylammonio)butanoate,PUBCHEM_IUPAC_CAS_NAME,9564,bmse000464,1
(3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9564,bmse000464,1
2-formylbenzoic acid,PUBCHEM_IUPAC_NAME,9586,bmse000465,1
phthalaldehydic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,9586,bmse000465,1
2-formylbenzoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,9586,bmse000465,1
2-formylbenzoic acid,PUBCHEM_IUPAC_CAS_NAME,9586,bmse000465,1
2-methanoylbenzoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9586,bmse000465,1
3-amino-4-methylpentanoic acid,PUBCHEM_IUPAC_NAME,9608,bmse000466,1
3-amino-4-methyl-valeric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,9608,bmse000466,1
3-amino-4-methyl-pentanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,9608,bmse000466,1
3-amino-4-methylpentanoic acid,PUBCHEM_IUPAC_CAS_NAME,9608,bmse000466,1
3-amino-4-methyl-pentanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9608,bmse000466,1
(NE)-N-ethylidenehydroxylamine,PUBCHEM_IUPAC_NAME,9630,bmse000467,1
acetaldoxime,PUBCHEM_IUPAC_TRADITIONAL_NAME,9630,bmse000467,1
acetaldehyde oxime,PUBCHEM_IUPAC_OPENEYE_NAME,9630,bmse000467,1
acetaldehyde oxime,PUBCHEM_IUPAC_CAS_NAME,9630,bmse000467,1
(NE)-N-ethylidenehydroxylamine,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9630,bmse000467,1
4-acetamidobutanoic acid,PUBCHEM_IUPAC_NAME,9652,bmse000468,1
4-acetamidobutyric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,9652,bmse000468,1
4-acetamidobutanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,9652,bmse000468,1
4-acetamidobutanoic acid,PUBCHEM_IUPAC_CAS_NAME,9652,bmse000468,1
4-acetamidobutanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9652,bmse000468,1
"(1R,2S)-cyclohexane-1,2-diol",PUBCHEM_IUPAC_CAS_NAME,9673,bmse000469,1
"(1R,2S)-cyclohexane-1,2-diol",PUBCHEM_IUPAC_NAME,9673,bmse000469,1
"(1R,2S)-cyclohexane-1,2-diol",PUBCHEM_IUPAC_OPENEYE_NAME,9673,bmse000469,1
"(1R,2S)-cyclohexane-1,2-diol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,9673,bmse000469,1
"(1R,2S)-cyclohexane-1,2-diol",PUBCHEM_IUPAC_TRADITIONAL_NAME,9673,bmse000469,1
carbamoylurea,PUBCHEM_IUPAC_NAME,9695,bmse000470,1
carbamoylurea,PUBCHEM_IUPAC_TRADITIONAL_NAME,9695,bmse000470,1
carbamoylurea,PUBCHEM_IUPAC_OPENEYE_NAME,9695,bmse000470,1
carbamoylurea,PUBCHEM_IUPAC_CAS_NAME,9695,bmse000470,1
aminocarbonylurea,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9695,bmse000470,1
oxaldehydic acid,PUBCHEM_IUPAC_NAME,9713,bmse000471,1
glyoxylic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,9713,bmse000471,1
oxaldehydic acid,PUBCHEM_IUPAC_OPENEYE_NAME,9713,bmse000471,1
oxaldehydic acid,PUBCHEM_IUPAC_CAS_NAME,9713,bmse000471,1
oxaldehydic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9713,bmse000471,1
"(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_NAME,9735,bmse000472,1
"(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,9735,bmse000472,1
"(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_OPENEYE_NAME,9735,bmse000472,1
"(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_CAS_NAME,9735,bmse000472,1
"(8R,9S,10R,13S,14S,17R)-17-ethanoyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,9735,bmse000472,1
2-(1H-indol-3-yl)ethanol,PUBCHEM_IUPAC_NAME,9758,bmse000473,1
2-(1H-indol-3-yl)ethanol,PUBCHEM_IUPAC_TRADITIONAL_NAME,9758,bmse000473,1
2-(1H-indol-3-yl)ethanol,PUBCHEM_IUPAC_OPENEYE_NAME,9758,bmse000473,1
2-(1H-indol-3-yl)ethanol,PUBCHEM_IUPAC_CAS_NAME,9758,bmse000473,1
2-(1H-indol-3-yl)ethanol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9758,bmse000473,1
3-methylbut-2-enal,PUBCHEM_IUPAC_NAME,9781,bmse000474,1
3-methylbut-2-enal,PUBCHEM_IUPAC_TRADITIONAL_NAME,9781,bmse000474,1
3-methylbut-2-enal,PUBCHEM_IUPAC_OPENEYE_NAME,9781,bmse000474,1
3-methylbut-2-enal,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9781,bmse000474,1
"4-methylbenzene-1,2-diol",PUBCHEM_IUPAC_NAME,9802,bmse000475,1
4-methylpyrocatechol,PUBCHEM_IUPAC_TRADITIONAL_NAME,9802,bmse000475,1
"4-methylbenzene-1,2-diol",PUBCHEM_IUPAC_OPENEYE_NAME,9802,bmse000475,1
"4-methylbenzene-1,2-diol",PUBCHEM_IUPAC_CAS_NAME,9802,bmse000475,1
"4-methylbenzene-1,2-diol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,9802,bmse000475,1
"1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone",PUBCHEM_IUPAC_NAME,9825,bmse000476,1
"1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone",PUBCHEM_IUPAC_TRADITIONAL_NAME,9825,bmse000476,1
"1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone",PUBCHEM_IUPAC_OPENEYE_NAME,9825,bmse000476,1
"1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone",PUBCHEM_IUPAC_CAS_NAME,9825,bmse000476,1
"1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone",PUBCHEM_IUPAC_SYSTEMATIC_NAME,9825,bmse000476,1
"(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_NAME,9848,bmse000477,1
"(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_TRADITIONAL_NAME,9848,bmse000477,1
"(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_OPENEYE_NAME,9848,bmse000477,1
"(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_CAS_NAME,9848,bmse000477,1
"(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,9848,bmse000477,1
Lanosterol,PUBCHEM_IUPAC_NAME,9867,bmse000478,1
Lanosterol,PUBCHEM_IUPAC_TRADITIONAL_NAME,9867,bmse000478,1
Lanosterol,PUBCHEM_IUPAC_OPENEYE_NAME,9867,bmse000478,1
Lanosterol,PUBCHEM_IUPAC_CAS_NAME,9867,bmse000478,1
Lanosterol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9867,bmse000478,1
(2R)-2-acetamido-3-phenylpropanoic acid,PUBCHEM_IUPAC_NAME,9882,bmse000479,1
(2R)-2-acetamido-3-phenyl-propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,9882,bmse000479,1
(2R)-2-acetamido-3-phenyl-propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,9882,bmse000479,1
(2R)-2-acetamido-3-phenylpropanoic acid,PUBCHEM_IUPAC_CAS_NAME,9882,bmse000479,1
(2R)-2-acetamido-3-phenyl-propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9882,bmse000479,1
octane,PUBCHEM_IUPAC_NAME,9905,bmse000480,1
octane,PUBCHEM_IUPAC_TRADITIONAL_NAME,9905,bmse000480,1
octane,PUBCHEM_IUPAC_OPENEYE_NAME,9905,bmse000480,1
octane,PUBCHEM_IUPAC_CAS_NAME,9905,bmse000480,1
octane,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9905,bmse000480,1
phenyl acetate,PUBCHEM_IUPAC_NAME,9927,bmse000481,1
acetic acid phenyl ester,PUBCHEM_IUPAC_TRADITIONAL_NAME,9927,bmse000481,1
phenyl acetate,PUBCHEM_IUPAC_OPENEYE_NAME,9927,bmse000481,1
acetic acid phenyl ester,PUBCHEM_IUPAC_CAS_NAME,9927,bmse000481,1
phenyl ethanoate,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9927,bmse000481,1
"(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_NAME,9949,bmse000482,1
"(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,9949,bmse000482,1
"(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_OPENEYE_NAME,9949,bmse000482,1
"(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_CAS_NAME,9949,bmse000482,1
"(8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,9949,bmse000482,1
(2R)-5-oxopyrrolidine-2-carboxylic acid,PUBCHEM_IUPAC_NAME,9972,bmse000483,1
pyroglutamic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,9972,bmse000483,1
(2R)-5-oxopyrrolidine-2-carboxylic acid,PUBCHEM_IUPAC_OPENEYE_NAME,9972,bmse000483,1
(2R)-5-oxo-2-pyrrolidinecarboxylic acid,PUBCHEM_IUPAC_CAS_NAME,9972,bmse000483,1
(2R)-5-oxopyrrolidine-2-carboxylic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,9972,bmse000483,1
"(14E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene",PUBCHEM_IUPAC_NAME,9994,bmse000484,1
"(14E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene",PUBCHEM_IUPAC_TRADITIONAL_NAME,9994,bmse000484,1
"(14E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene",PUBCHEM_IUPAC_OPENEYE_NAME,9994,bmse000484,1
"(14E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene",PUBCHEM_IUPAC_CAS_NAME,9994,bmse000484,1
"(14E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene",PUBCHEM_IUPAC_SYSTEMATIC_NAME,9994,bmse000484,1
octadecanoic acid,PUBCHEM_IUPAC_NAME,10016,bmse000485,1
stearic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,10016,bmse000485,1
stearic acid,PUBCHEM_IUPAC_OPENEYE_NAME,10016,bmse000485,1
stearic acid,PUBCHEM_IUPAC_CAS_NAME,10016,bmse000485,1
octadecanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,10016,bmse000485,1
4-hydroxy-3-methoxybenzoic acid,PUBCHEM_IUPAC_NAME,10037,bmse000486,1
4-hydroxy-3-methoxy-benzoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,10037,bmse000486,1
4-hydroxy-3-methoxy-benzoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,10037,bmse000486,1
4-hydroxy-3-methoxybenzoic acid,PUBCHEM_IUPAC_CAS_NAME,10037,bmse000486,1
4-hydroxy-3-methoxy-benzoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,10037,bmse000486,1
hexadecan-1-ol,PUBCHEM_IUPAC_NAME,10060,bmse000487,1
hexadecan-1-ol,PUBCHEM_IUPAC_TRADITIONAL_NAME,10060,bmse000487,1
hexadecan-1-ol,PUBCHEM_IUPAC_OPENEYE_NAME,10060,bmse000487,1
hexadecan-1-ol,PUBCHEM_IUPAC_CAS_NAME,10060,bmse000487,1
hexadecan-1-ol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,10060,bmse000487,1
2-(1H-indol-3-yl)acetonitrile,PUBCHEM_IUPAC_NAME,10081,bmse000488,1
2-(1H-indol-3-yl)acetonitrile,PUBCHEM_IUPAC_TRADITIONAL_NAME,10081,bmse000488,1
2-(1H-indol-3-yl)acetonitrile,PUBCHEM_IUPAC_OPENEYE_NAME,10081,bmse000488,1
2-(1H-indol-3-yl)acetonitrile,PUBCHEM_IUPAC_CAS_NAME,10081,bmse000488,1
2-(1H-indol-3-yl)ethanenitrile,PUBCHEM_IUPAC_SYSTEMATIC_NAME,10081,bmse000488,1
"(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_NAME,10104,bmse000489,1
"(5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,10104,bmse000489,1
"(5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_OPENEYE_NAME,10104,bmse000489,1
"(5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_CAS_NAME,10104,bmse000489,1
"(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,10104,bmse000489,1
"(5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_CAS_NAME,10126,bmse000490,1
"(5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_NAME,10126,bmse000490,1
"(5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_OPENEYE_NAME,10126,bmse000490,1
"(5S,8R,9S,10S,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,10126,bmse000490,1
"(5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,10126,bmse000490,1
not available,PUBCHEM_IUPAC_NAME,10148,bmse000491,1
not available,PUBCHEM_IUPAC_TRADITIONAL_NAME,10148,bmse000491,1
not available,PUBCHEM_IUPAC_OPENEYE_NAME,10148,bmse000491,1
not available,PUBCHEM_IUPAC_CAS_NAME,10148,bmse000491,1
not available,PUBCHEM_IUPAC_SYSTEMATIC_NAME,10148,bmse000491,1
(+)alpha-tocopherol,PUBCHEM_IUPAC_NAME,10168,bmse000492,1
(+)alpha-tocopherol,PUBCHEM_IUPAC_TRADITIONAL_NAME,10168,bmse000492,1
(+)alpha-tocopherol,PUBCHEM_IUPAC_OPENEYE_NAME,10168,bmse000492,1
(+)alpha-tocopherol,PUBCHEM_IUPAC_CAS_NAME,10168,bmse000492,1
(+)alpha-tocopherol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,10168,bmse000492,1
oxepan-2-one,PUBCHEM_IUPAC_NAME,10185,bmse000493,1
oxepan-2-one,PUBCHEM_IUPAC_TRADITIONAL_NAME,10185,bmse000493,1
oxepan-2-one,PUBCHEM_IUPAC_OPENEYE_NAME,10185,bmse000493,1
2-oxepanone,PUBCHEM_IUPAC_CAS_NAME,10185,bmse000493,1
oxepan-2-one,PUBCHEM_IUPAC_SYSTEMATIC_NAME,10185,bmse000493,1
"(3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_NAME,10206,bmse000494,1
"(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_TRADITIONAL_NAME,10206,bmse000494,1
"(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_OPENEYE_NAME,10206,bmse000494,1
"(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_CAS_NAME,10206,bmse000494,1
"(3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,10206,bmse000494,1
"(1R,4S,6R)-1,5,5-trimethylbicyclo[2.2.1]heptan-6-ol",PUBCHEM_IUPAC_NAME,10229,bmse000495,1
"(1R,2R,4S)-1,3,3-trimethylnorbornan-2-ol",PUBCHEM_IUPAC_TRADITIONAL_NAME,10229,bmse000495,1
"(1R,2R,4S)-1,3,3-trimethylnorbornan-2-ol",PUBCHEM_IUPAC_OPENEYE_NAME,10229,bmse000495,1
"(1R,2R,4S)-1,3,3-trimethyl-2-norbornanol",PUBCHEM_IUPAC_CAS_NAME,10229,bmse000495,1
"(1R,4S,6R)-1,5,5-trimethylbicyclo[2.2.1]heptan-6-ol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,10229,bmse000495,1
"2,3-dihydroinden-1-one",PUBCHEM_IUPAC_NAME,10251,bmse000496,1
indan-1-one,PUBCHEM_IUPAC_TRADITIONAL_NAME,10251,bmse000496,1
indan-1-one,PUBCHEM_IUPAC_OPENEYE_NAME,10251,bmse000496,1
1-indanone,PUBCHEM_IUPAC_CAS_NAME,10251,bmse000496,1
"2,3-dihydroinden-1-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,10251,bmse000496,1
"(9Z,12Z)-octadeca-9,12-dienoic acid",PUBCHEM_IUPAC_NAME,10275,bmse000497,1
"(9Z,12Z)-octadeca-9,12-dienoic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,10275,bmse000497,1
"(9Z,12Z)-octadeca-9,12-dienoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,10275,bmse000497,1
"(9Z,12Z)-octadeca-9,12-dienoic acid",PUBCHEM_IUPAC_CAS_NAME,10275,bmse000497,1
"(9Z,12Z)-octadeca-9,12-dienoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,10275,bmse000497,1
"(1S,2S,5R)-2-isopropyl-5-methyl-1-cyclohexanol",PUBCHEM_IUPAC_CAS_NAME,10298,bmse000498,1
"(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol",PUBCHEM_IUPAC_NAME,10298,bmse000498,1
"(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexan-1-ol",PUBCHEM_IUPAC_OPENEYE_NAME,10298,bmse000498,1
"(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-ol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,10298,bmse000498,1
"(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexan-1-ol",PUBCHEM_IUPAC_TRADITIONAL_NAME,10298,bmse000498,1
nonanoic acid,PUBCHEM_IUPAC_NAME,10320,bmse000499,1
pelargonic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,10320,bmse000499,1
nonanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,10320,bmse000499,1
nonanoic acid,PUBCHEM_IUPAC_CAS_NAME,10320,bmse000499,1
nonanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,10320,bmse000499,1
(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one,PUBCHEM_IUPAC_NAME,10342,bmse000500,1
(5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one,PUBCHEM_IUPAC_TRADITIONAL_NAME,10342,bmse000500,1
(5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one,PUBCHEM_IUPAC_OPENEYE_NAME,10342,bmse000500,1
(5R)-5-isopropenyl-2-methyl-1-cyclohex-2-enone,PUBCHEM_IUPAC_CAS_NAME,10342,bmse000500,1
(5R)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-one,PUBCHEM_IUPAC_SYSTEMATIC_NAME,10342,bmse000500,1
"[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] hexadecanoate",PUBCHEM_IUPAC_NAME,10365,bmse000501,1
"palmitic acid [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] ester",PUBCHEM_IUPAC_TRADITIONAL_NAME,10365,bmse000501,1
"[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] hexadecanoate",PUBCHEM_IUPAC_OPENEYE_NAME,10365,bmse000501,1
"hexadecanoic acid [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] ester",PUBCHEM_IUPAC_CAS_NAME,10365,bmse000501,1
"[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] hexadecanoate",PUBCHEM_IUPAC_SYSTEMATIC_NAME,10365,bmse000501,1
octanoic acid,PUBCHEM_IUPAC_NAME,10388,bmse000502,1
caprylic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,10388,bmse000502,1
octanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,10388,bmse000502,1
octanoic acid,PUBCHEM_IUPAC_CAS_NAME,10388,bmse000502,1
octanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,10388,bmse000502,1
1-methyl-4-propan-2-ylbenzene,PUBCHEM_IUPAC_NAME,10409,bmse000503,1
1-isopropyl-4-methyl-benzene,PUBCHEM_IUPAC_TRADITIONAL_NAME,10409,bmse000503,1
1-isopropyl-4-methyl-benzene,PUBCHEM_IUPAC_OPENEYE_NAME,10409,bmse000503,1
1-isopropyl-4-methylbenzene,PUBCHEM_IUPAC_CAS_NAME,10409,bmse000503,1
1-methyl-4-propan-2-yl-benzene,PUBCHEM_IUPAC_SYSTEMATIC_NAME,10409,bmse000503,1
1-methyl-4-propan-2-ylidenecyclohexene,PUBCHEM_IUPAC_NAME,10431,bmse000504,1
4-isopropylidene-1-methyl-cyclohexene,PUBCHEM_IUPAC_TRADITIONAL_NAME,10431,bmse000504,1
4-isopropylidene-1-methyl-cyclohexene,PUBCHEM_IUPAC_OPENEYE_NAME,10431,bmse000504,1
4-isopropylidene-1-methylcyclohexene,PUBCHEM_IUPAC_CAS_NAME,10431,bmse000504,1
1-methyl-4-propan-2-ylidene-cyclohexene,PUBCHEM_IUPAC_SYSTEMATIC_NAME,10431,bmse000504,1
(4-propan-2-ylphenyl)methanol,PUBCHEM_IUPAC_NAME,10451,bmse000505,1
(4-isopropylphenyl)methanol,PUBCHEM_IUPAC_TRADITIONAL_NAME,10451,bmse000505,1
(4-isopropylphenyl)methanol,PUBCHEM_IUPAC_OPENEYE_NAME,10451,bmse000505,1
(4-isopropylphenyl)methanol,PUBCHEM_IUPAC_CAS_NAME,10451,bmse000505,1
(4-propan-2-ylphenyl)methanol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,10451,bmse000505,1
phenylbenzene,PUBCHEM_IUPAC_NAME,10466,bmse000506,1
phenylbenzene,PUBCHEM_IUPAC_TRADITIONAL_NAME,10466,bmse000506,1
phenylbenzene,PUBCHEM_IUPAC_OPENEYE_NAME,10466,bmse000506,1
phenylbenzene,PUBCHEM_IUPAC_CAS_NAME,10466,bmse000506,1
phenylbenzene,PUBCHEM_IUPAC_SYSTEMATIC_NAME,10466,bmse000506,1
"(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol",PUBCHEM_IUPAC_NAME,10488,bmse000507,1
"(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol",PUBCHEM_IUPAC_TRADITIONAL_NAME,10488,bmse000507,1
"(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol",PUBCHEM_IUPAC_OPENEYE_NAME,10488,bmse000507,1
"(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol",PUBCHEM_IUPAC_CAS_NAME,10488,bmse000507,1
"(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,10488,bmse000507,1
4-propan-2-ylbenzaldehyde,PUBCHEM_IUPAC_NAME,10511,bmse000508,1
4-isopropylbenzaldehyde,PUBCHEM_IUPAC_TRADITIONAL_NAME,10511,bmse000508,1
4-isopropylbenzaldehyde,PUBCHEM_IUPAC_OPENEYE_NAME,10511,bmse000508,1
4-isopropylbenzaldehyde,PUBCHEM_IUPAC_CAS_NAME,10511,bmse000508,1
4-propan-2-ylbenzaldehyde,PUBCHEM_IUPAC_SYSTEMATIC_NAME,10511,bmse000508,1
dodecanoic acid,PUBCHEM_IUPAC_NAME,10533,bmse000509,1
lauric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,10533,bmse000509,1
dodecanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,10533,bmse000509,1
dodecanoic acid,PUBCHEM_IUPAC_CAS_NAME,10533,bmse000509,1
dodecanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,10533,bmse000509,1
"(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol",PUBCHEM_IUPAC_NAME,10554,bmse000510,1
"(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol",PUBCHEM_IUPAC_TRADITIONAL_NAME,10554,bmse000510,1
"(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol",PUBCHEM_IUPAC_OPENEYE_NAME,10554,bmse000510,1
"(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol",PUBCHEM_IUPAC_CAS_NAME,10554,bmse000510,1
"(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,10554,bmse000510,1
"(S)-[(4S,5R,7R)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol",PUBCHEM_IUPAC_NAME,10577,bmse000511,1
"(S)-(6-methoxy-4-quinolyl)-[(2R,4S,5R)-5-vinylquinuclidin-2-yl]methanol",PUBCHEM_IUPAC_TRADITIONAL_NAME,10577,bmse000511,1
"(S)-(6-methoxy-4-quinolyl)-[(2R,4S,5R)-5-vinylquinuclidin-2-yl]methanol",PUBCHEM_IUPAC_OPENEYE_NAME,10577,bmse000511,1
"(S)-(6-methoxy-4-quinolyl)-[(2R,4S,5R)-5-vinyl-2-quinuclidinyl]methanol",PUBCHEM_IUPAC_CAS_NAME,10577,bmse000511,1
"(S)-[(4S,5R,7R)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,10577,bmse000511,1
"(13S)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_NAME,10600,bmse000512,1
"(13S)-17-glycoloyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,10600,bmse000512,1
"(13S)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_OPENEYE_NAME,10600,bmse000512,1
"(13S)-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_CAS_NAME,10600,bmse000512,1
"(13S)-17-hydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,10600,bmse000512,1
"cyclohexane-1,4-dione",PUBCHEM_IUPAC_CAS_NAME,10623,bmse000513,1
"cyclohexane-1,4-dione",PUBCHEM_IUPAC_NAME,10623,bmse000513,1
"cyclohexane-1,4-dione",PUBCHEM_IUPAC_OPENEYE_NAME,10623,bmse000513,1
"cyclohexane-1,4-dione",PUBCHEM_IUPAC_SYSTEMATIC_NAME,10623,bmse000513,1
"cyclohexane-1,4-quinone",PUBCHEM_IUPAC_TRADITIONAL_NAME,10623,bmse000513,1
"1,3-dihydroinden-2-one",PUBCHEM_IUPAC_NAME,10644,bmse000514,1
indan-2-one,PUBCHEM_IUPAC_TRADITIONAL_NAME,10644,bmse000514,1
indan-2-one,PUBCHEM_IUPAC_OPENEYE_NAME,10644,bmse000514,1
2-indanone,PUBCHEM_IUPAC_CAS_NAME,10644,bmse000514,1
"1,3-dihydroinden-2-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,10644,bmse000514,1
(2-methylphenyl)methanol,PUBCHEM_IUPAC_NAME,10666,bmse000515,1
(2-methylphenyl)methanol,PUBCHEM_IUPAC_TRADITIONAL_NAME,10666,bmse000515,1
(2-methylphenyl)methanol,PUBCHEM_IUPAC_OPENEYE_NAME,10666,bmse000515,1
(2-methylphenyl)methanol,PUBCHEM_IUPAC_CAS_NAME,10666,bmse000515,1
(2-methylphenyl)methanol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,10666,bmse000515,1
3-methyl-1H-indole,PUBCHEM_IUPAC_NAME,10688,bmse000516,1
3-methyl-1H-indole,PUBCHEM_IUPAC_TRADITIONAL_NAME,10688,bmse000516,1
3-methyl-1H-indole,PUBCHEM_IUPAC_OPENEYE_NAME,10688,bmse000516,1
3-methyl-1H-indole,PUBCHEM_IUPAC_CAS_NAME,10688,bmse000516,1
3-methyl-1H-indole,PUBCHEM_IUPAC_SYSTEMATIC_NAME,10688,bmse000516,1
bis(4-chlorophenyl)methanone,PUBCHEM_IUPAC_CAS_NAME,10710,bmse000517,1
bis(4-chlorophenyl)methanone,PUBCHEM_IUPAC_NAME,10710,bmse000517,1
bis(4-chlorophenyl)methanone,PUBCHEM_IUPAC_OPENEYE_NAME,10710,bmse000517,1
bis(4-chlorophenyl)methanone,PUBCHEM_IUPAC_SYSTEMATIC_NAME,10710,bmse000517,1
bis(4-chlorophenyl)methanone,PUBCHEM_IUPAC_TRADITIONAL_NAME,10710,bmse000517,1
1-(4-chlorophenyl)ethanone,PUBCHEM_IUPAC_NAME,10733,bmse000518,1
1-(4-chlorophenyl)ethanone,PUBCHEM_IUPAC_TRADITIONAL_NAME,10733,bmse000518,1
1-(4-chlorophenyl)ethanone,PUBCHEM_IUPAC_OPENEYE_NAME,10733,bmse000518,1
1-(4-chlorophenyl)ethanone,PUBCHEM_IUPAC_CAS_NAME,10733,bmse000518,1
1-(4-chlorophenyl)ethanone,PUBCHEM_IUPAC_SYSTEMATIC_NAME,10733,bmse000518,1
"(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_NAME,10756,bmse000519,1
"(8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,10756,bmse000519,1
"(8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_OPENEYE_NAME,10756,bmse000519,1
"(8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_CAS_NAME,10756,bmse000519,1
"(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,10756,bmse000519,1
(4-methylphenyl)methanol,PUBCHEM_IUPAC_NAME,10778,bmse000520,1
(4-methylphenyl)methanol,PUBCHEM_IUPAC_TRADITIONAL_NAME,10778,bmse000520,1
(4-methylphenyl)methanol,PUBCHEM_IUPAC_OPENEYE_NAME,10778,bmse000520,1
(4-methylphenyl)methanol,PUBCHEM_IUPAC_CAS_NAME,10778,bmse000520,1
(4-methylphenyl)methanol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,10778,bmse000520,1
fluoren-9-one,PUBCHEM_IUPAC_NAME,10800,bmse000521,1
fluoren-9-one,PUBCHEM_IUPAC_TRADITIONAL_NAME,10800,bmse000521,1
fluoren-9-one,PUBCHEM_IUPAC_OPENEYE_NAME,10800,bmse000521,1
9-fluorenone,PUBCHEM_IUPAC_CAS_NAME,10800,bmse000521,1
fluoren-9-one,PUBCHEM_IUPAC_SYSTEMATIC_NAME,10800,bmse000521,1
"(8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione",PUBCHEM_IUPAC_NAME,10823,bmse000522,1
"(8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione",PUBCHEM_IUPAC_TRADITIONAL_NAME,10823,bmse000522,1
"(8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione",PUBCHEM_IUPAC_OPENEYE_NAME,10823,bmse000522,1
"(8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione",PUBCHEM_IUPAC_CAS_NAME,10823,bmse000522,1
"(8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione",PUBCHEM_IUPAC_SYSTEMATIC_NAME,10823,bmse000522,1
"4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane",PUBCHEM_IUPAC_NAME,10845,bmse000523,1
"4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane",PUBCHEM_IUPAC_TRADITIONAL_NAME,10845,bmse000523,1
"4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane",PUBCHEM_IUPAC_OPENEYE_NAME,10845,bmse000523,1
"4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane",PUBCHEM_IUPAC_CAS_NAME,10845,bmse000523,1
"4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane",PUBCHEM_IUPAC_SYSTEMATIC_NAME,10845,bmse000523,1
9H-fluorene,PUBCHEM_IUPAC_NAME,10868,bmse000524,1
9H-fluorene,PUBCHEM_IUPAC_TRADITIONAL_NAME,10868,bmse000524,1
9H-fluorene,PUBCHEM_IUPAC_OPENEYE_NAME,10868,bmse000524,1
9H-fluorene,PUBCHEM_IUPAC_CAS_NAME,10868,bmse000524,1
9H-fluorene,PUBCHEM_IUPAC_SYSTEMATIC_NAME,10868,bmse000524,1
"2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid",PUBCHEM_IUPAC_NAME,10891,bmse000525,1
"2-[(1R,2R)-3-keto-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,10891,bmse000525,1
"2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid",PUBCHEM_IUPAC_OPENEYE_NAME,10891,bmse000525,1
"2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid",PUBCHEM_IUPAC_CAS_NAME,10891,bmse000525,1
"2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,10891,bmse000525,1
"1,2-dimethylbenzene",PUBCHEM_IUPAC_NAME,10913,bmse000526,1
"1,2-dimethylbenzene",PUBCHEM_IUPAC_TRADITIONAL_NAME,10913,bmse000526,1
"1,2-dimethylbenzene",PUBCHEM_IUPAC_OPENEYE_NAME,10913,bmse000526,1
"1,2-dimethylbenzene",PUBCHEM_IUPAC_CAS_NAME,10913,bmse000526,1
"1,2-dimethylbenzene",PUBCHEM_IUPAC_SYSTEMATIC_NAME,10913,bmse000526,1
4-methylbenzaldehyde,PUBCHEM_IUPAC_NAME,10936,bmse000527,1
4-methylbenzaldehyde,PUBCHEM_IUPAC_TRADITIONAL_NAME,10936,bmse000527,1
4-methylbenzaldehyde,PUBCHEM_IUPAC_OPENEYE_NAME,10936,bmse000527,1
4-methylbenzaldehyde,PUBCHEM_IUPAC_CAS_NAME,10936,bmse000527,1
4-methylbenzaldehyde,PUBCHEM_IUPAC_SYSTEMATIC_NAME,10936,bmse000527,1
"(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_NAME,10959,bmse000528,1
"(3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4R)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_TRADITIONAL_NAME,10959,bmse000528,1
"(3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4R)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_OPENEYE_NAME,10959,bmse000528,1
"(3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4R)-4-ethyl-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_CAS_NAME,10959,bmse000528,1
"(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,10959,bmse000528,1
"(8S,9S,10R,11R,13S,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_NAME,10981,bmse000529,1
"(8S,9S,10R,11R,13S,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,10981,bmse000529,1
"(8S,9S,10R,11R,13S,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_OPENEYE_NAME,10981,bmse000529,1
"(8S,9S,10R,11R,13S,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_CAS_NAME,10981,bmse000529,1
"(8S,9S,10R,11R,13S,14S,17S)-17-ethanoyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,10981,bmse000529,1
tetralin,PUBCHEM_IUPAC_CAS_NAME,11003,bmse000530,1
"1,2,3,4-tetrahydronaphthalene",PUBCHEM_IUPAC_NAME,11003,bmse000530,1
tetralin,PUBCHEM_IUPAC_OPENEYE_NAME,11003,bmse000530,1
"1,2,3,4-tetrahydronaphthalene",PUBCHEM_IUPAC_SYSTEMATIC_NAME,11003,bmse000530,1
tetralin,PUBCHEM_IUPAC_TRADITIONAL_NAME,11003,bmse000530,1
1-methylnaphthalene,PUBCHEM_IUPAC_NAME,11025,bmse000531,1
1-methylnaphthalene,PUBCHEM_IUPAC_TRADITIONAL_NAME,11025,bmse000531,1
1-methylnaphthalene,PUBCHEM_IUPAC_OPENEYE_NAME,11025,bmse000531,1
1-methylnaphthalene,PUBCHEM_IUPAC_CAS_NAME,11025,bmse000531,1
1-methylnaphthalene,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11025,bmse000531,1
naphthalene-1-carbaldehyde,PUBCHEM_IUPAC_NAME,11047,bmse000532,1
naphthalene-1-carbaldehyde,PUBCHEM_IUPAC_TRADITIONAL_NAME,11047,bmse000532,1
naphthalene-1-carbaldehyde,PUBCHEM_IUPAC_OPENEYE_NAME,11047,bmse000532,1
1-naphthalenecarboxaldehyde,PUBCHEM_IUPAC_CAS_NAME,11047,bmse000532,1
naphthalene-1-carbaldehyde,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11047,bmse000532,1
"(1R,2R,5R)-5-isopropenyl-2-methyl-1-cyclohexanol",PUBCHEM_IUPAC_CAS_NAME,11069,bmse000533,1
"(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol",PUBCHEM_IUPAC_NAME,11069,bmse000533,1
"(1R,2R,5R)-5-isopropenyl-2-methyl-cyclohexan-1-ol",PUBCHEM_IUPAC_OPENEYE_NAME,11069,bmse000533,1
"(1R,2R,5R)-2-methyl-5-prop-1-en-2-yl-cyclohexan-1-ol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,11069,bmse000533,1
"(1R,2R,5R)-5-isopropenyl-2-methyl-cyclohexan-1-ol",PUBCHEM_IUPAC_TRADITIONAL_NAME,11069,bmse000533,1
"7,7-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde",PUBCHEM_IUPAC_NAME,11091,bmse000534,1
"7,7-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde",PUBCHEM_IUPAC_TRADITIONAL_NAME,11091,bmse000534,1
"7,7-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde",PUBCHEM_IUPAC_OPENEYE_NAME,11091,bmse000534,1
"7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enecarboxaldehyde",PUBCHEM_IUPAC_CAS_NAME,11091,bmse000534,1
"7,7-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde",PUBCHEM_IUPAC_SYSTEMATIC_NAME,11091,bmse000534,1
"(8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_NAME,11112,bmse000535,1
"(8S,9S,10R,13S,14S,17S)-17-glycoloyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,11112,bmse000535,1
"(8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_OPENEYE_NAME,11112,bmse000535,1
"(8S,9S,10R,13S,14S,17S)-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_CAS_NAME,11112,bmse000535,1
"(8S,9S,10R,13S,14S,17S)-17-(2-hydroxyethanoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,11112,bmse000535,1
(E)-hex-2-enal,PUBCHEM_IUPAC_NAME,11134,bmse000536,1
(E)-hex-2-enal,PUBCHEM_IUPAC_TRADITIONAL_NAME,11134,bmse000536,1
(E)-hex-2-enal,PUBCHEM_IUPAC_OPENEYE_NAME,11134,bmse000536,1
(E)-hex-2-enal,PUBCHEM_IUPAC_CAS_NAME,11134,bmse000536,1
(E)-hex-2-enal,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11134,bmse000536,1
2-methylnaphthalene,PUBCHEM_IUPAC_NAME,11156,bmse000537,1
2-methylnaphthalene,PUBCHEM_IUPAC_TRADITIONAL_NAME,11156,bmse000537,1
2-methylnaphthalene,PUBCHEM_IUPAC_OPENEYE_NAME,11156,bmse000537,1
2-methylnaphthalene,PUBCHEM_IUPAC_CAS_NAME,11156,bmse000537,1
2-methylnaphthalene,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11156,bmse000537,1
3-hydroxy-2-methylpyran-4-one,PUBCHEM_IUPAC_NAME,11176,bmse000538,1
3-hydroxy-2-methyl-pyran-4-one,PUBCHEM_IUPAC_TRADITIONAL_NAME,11176,bmse000538,1
3-hydroxy-2-methyl-pyran-4-one,PUBCHEM_IUPAC_OPENEYE_NAME,11176,bmse000538,1
3-hydroxy-2-methyl-4-pyranone,PUBCHEM_IUPAC_CAS_NAME,11176,bmse000538,1
3-hydroxy-2-methyl-pyran-4-one,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11176,bmse000538,1
isochroman-3-one,PUBCHEM_IUPAC_NAME,11196,bmse000539,1
isochroman-3-one,PUBCHEM_IUPAC_TRADITIONAL_NAME,11196,bmse000539,1
isochroman-3-one,PUBCHEM_IUPAC_OPENEYE_NAME,11196,bmse000539,1
3-isochromanone,PUBCHEM_IUPAC_CAS_NAME,11196,bmse000539,1
isochroman-3-one,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11196,bmse000539,1
(3-methylphenyl)methanol,PUBCHEM_IUPAC_NAME,11216,bmse000540,1
(3-methylphenyl)methanol,PUBCHEM_IUPAC_TRADITIONAL_NAME,11216,bmse000540,1
(3-methylphenyl)methanol,PUBCHEM_IUPAC_OPENEYE_NAME,11216,bmse000540,1
(3-methylphenyl)methanol,PUBCHEM_IUPAC_CAS_NAME,11216,bmse000540,1
(3-methylphenyl)methanol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11216,bmse000540,1
"(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_NAME,11239,bmse000541,1
"(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_TRADITIONAL_NAME,11239,bmse000541,1
"(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_OPENEYE_NAME,11239,bmse000541,1
"(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_CAS_NAME,11239,bmse000541,1
"(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,11239,bmse000541,1
5-(dithiolan-3-yl)pentanoic acid,PUBCHEM_IUPAC_NAME,11261,bmse000542,1
5-(dithiolan-3-yl)valeric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,11261,bmse000542,1
5-(dithiolan-3-yl)pentanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,11261,bmse000542,1
5-(3-dithiolanyl)pentanoic acid,PUBCHEM_IUPAC_CAS_NAME,11261,bmse000542,1
"5-(1,2-dithiolan-3-yl)pentanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,11261,bmse000542,1
"(3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_NAME,11283,bmse000543,1
"(3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,11283,bmse000543,1
"(3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_OPENEYE_NAME,11283,bmse000543,1
"(3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_CAS_NAME,11283,bmse000543,1
"(3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,11283,bmse000543,1
"[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate",PUBCHEM_IUPAC_NAME,11306,bmse000544,1
"palmitic acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester",PUBCHEM_IUPAC_TRADITIONAL_NAME,11306,bmse000544,1
"[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate",PUBCHEM_IUPAC_OPENEYE_NAME,11306,bmse000544,1
"hexadecanoic acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester",PUBCHEM_IUPAC_CAS_NAME,11306,bmse000544,1
"[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate",PUBCHEM_IUPAC_SYSTEMATIC_NAME,11306,bmse000544,1
cyclohexane,PUBCHEM_IUPAC_NAME,11329,bmse000545,1
cyclohexane,PUBCHEM_IUPAC_TRADITIONAL_NAME,11329,bmse000545,1
cyclohexane,PUBCHEM_IUPAC_OPENEYE_NAME,11329,bmse000545,1
cyclohexane,PUBCHEM_IUPAC_CAS_NAME,11329,bmse000545,1
cyclohexane,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11329,bmse000545,1
"(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol",PUBCHEM_IUPAC_NAME,11374,bmse000547,1
"(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol",PUBCHEM_IUPAC_TRADITIONAL_NAME,11374,bmse000547,1
"(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol",PUBCHEM_IUPAC_OPENEYE_NAME,11374,bmse000547,1
"(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-6-chromanol",PUBCHEM_IUPAC_CAS_NAME,11374,bmse000547,1
"(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,11374,bmse000547,1
dibenzofuran,PUBCHEM_IUPAC_NAME,11396,bmse000548,1
dibenzofuran,PUBCHEM_IUPAC_TRADITIONAL_NAME,11396,bmse000548,1
dibenzofuran,PUBCHEM_IUPAC_OPENEYE_NAME,11396,bmse000548,1
dibenzofuran,PUBCHEM_IUPAC_CAS_NAME,11396,bmse000548,1
dibenzofuran,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11396,bmse000548,1
"(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_NAME,11418,bmse000549,1
"(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,11418,bmse000549,1
"(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_OPENEYE_NAME,11418,bmse000549,1
"(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_CAS_NAME,11418,bmse000549,1
"(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,11418,bmse000549,1
ethyl heptanoate,PUBCHEM_IUPAC_NAME,11440,bmse000550,1
enanthic acid ethyl ester,PUBCHEM_IUPAC_TRADITIONAL_NAME,11440,bmse000550,1
ethyl heptanoate,PUBCHEM_IUPAC_OPENEYE_NAME,11440,bmse000550,1
heptanoic acid ethyl ester,PUBCHEM_IUPAC_CAS_NAME,11440,bmse000550,1
ethyl heptanoate,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11440,bmse000550,1
methyl 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate,PUBCHEM_IUPAC_NAME,11461,bmse000551,1
2-(3-keto-2-pent-2-enyl-cyclopentyl)acetic acid methyl ester,PUBCHEM_IUPAC_TRADITIONAL_NAME,11461,bmse000551,1
methyl 2-(3-oxo-2-pent-2-enyl-cyclopentyl)acetate,PUBCHEM_IUPAC_OPENEYE_NAME,11461,bmse000551,1
2-(3-oxo-2-pent-2-enylcyclopentyl)acetic acid methyl ester,PUBCHEM_IUPAC_CAS_NAME,11461,bmse000551,1
methyl 2-(3-oxo-2-pent-2-enyl-cyclopentyl)ethanoate,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11461,bmse000551,1
3-methylbenzaldehyde,PUBCHEM_IUPAC_NAME,11483,bmse000552,1
3-methylbenzaldehyde,PUBCHEM_IUPAC_TRADITIONAL_NAME,11483,bmse000552,1
3-methylbenzaldehyde,PUBCHEM_IUPAC_OPENEYE_NAME,11483,bmse000552,1
3-methylbenzaldehyde,PUBCHEM_IUPAC_CAS_NAME,11483,bmse000552,1
3-methylbenzaldehyde,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11483,bmse000552,1
3-methylbenzoic acid,PUBCHEM_IUPAC_NAME,11506,bmse000553,1
3-methylbenzoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,11506,bmse000553,1
3-methylbenzoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,11506,bmse000553,1
3-methylbenzoic acid,PUBCHEM_IUPAC_CAS_NAME,11506,bmse000553,1
3-methylbenzoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11506,bmse000553,1
"1,3-dimethylbenzene",PUBCHEM_IUPAC_NAME,11529,bmse000554,1
"1,3-dimethylbenzene",PUBCHEM_IUPAC_TRADITIONAL_NAME,11529,bmse000554,1
"1,3-dimethylbenzene",PUBCHEM_IUPAC_OPENEYE_NAME,11529,bmse000554,1
"1,3-dimethylbenzene",PUBCHEM_IUPAC_CAS_NAME,11529,bmse000554,1
"1,3-dimethylbenzene",PUBCHEM_IUPAC_SYSTEMATIC_NAME,11529,bmse000554,1
"(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methanol",PUBCHEM_IUPAC_NAME,11551,bmse000555,1
"(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methanol",PUBCHEM_IUPAC_TRADITIONAL_NAME,11551,bmse000555,1
"(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methanol",PUBCHEM_IUPAC_OPENEYE_NAME,11551,bmse000555,1
"(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methanol",PUBCHEM_IUPAC_CAS_NAME,11551,bmse000555,1
"(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methanol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,11551,bmse000555,1
2-methylbenzaldehyde,PUBCHEM_IUPAC_NAME,11573,bmse000556,1
2-methylbenzaldehyde,PUBCHEM_IUPAC_TRADITIONAL_NAME,11573,bmse000556,1
2-methylbenzaldehyde,PUBCHEM_IUPAC_OPENEYE_NAME,11573,bmse000556,1
2-methylbenzaldehyde,PUBCHEM_IUPAC_CAS_NAME,11573,bmse000556,1
2-methylbenzaldehyde,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11573,bmse000556,1
2-methylbenzoic acid,PUBCHEM_IUPAC_NAME,11596,bmse000557,1
2-methylbenzoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,11596,bmse000557,1
2-methylbenzoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,11596,bmse000557,1
2-methylbenzoic acid,PUBCHEM_IUPAC_CAS_NAME,11596,bmse000557,1
2-methylbenzoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11596,bmse000557,1
pentadecanoic acid,PUBCHEM_IUPAC_NAME,11619,bmse000558,1
pentadecanoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,11619,bmse000558,1
pentadecanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,11619,bmse000558,1
pentadecanoic acid,PUBCHEM_IUPAC_CAS_NAME,11619,bmse000558,1
pentadecanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11619,bmse000558,1
[(4S)-4-prop-1-en-2-yl-1-cyclohexenyl]methanol,PUBCHEM_IUPAC_NAME,11640,bmse000559,1
[(4S)-4-isopropenyl-1-cyclohexenyl]methanol,PUBCHEM_IUPAC_TRADITIONAL_NAME,11640,bmse000559,1
[(4S)-4-isopropenyl-1-cyclohexenyl]methanol,PUBCHEM_IUPAC_OPENEYE_NAME,11640,bmse000559,1
[(4S)-4-isopropenyl-1-cyclohexenyl]methanol,PUBCHEM_IUPAC_CAS_NAME,11640,bmse000559,1
[(4S)-4-prop-1-en-2-yl-1-cyclohexenyl]methanol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11640,bmse000559,1
phenanthrene,PUBCHEM_IUPAC_NAME,11662,bmse000560,1
phenanthrene,PUBCHEM_IUPAC_TRADITIONAL_NAME,11662,bmse000560,1
phenanthrene,PUBCHEM_IUPAC_OPENEYE_NAME,11662,bmse000560,1
phenanthrene,PUBCHEM_IUPAC_CAS_NAME,11662,bmse000560,1
phenanthrene,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11662,bmse000560,1
"(3R)-7,7-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol",PUBCHEM_IUPAC_NAME,11684,bmse000561,1
"(3R)-6,6-dimethyl-2-methylene-norpinan-3-ol",PUBCHEM_IUPAC_TRADITIONAL_NAME,11684,bmse000561,1
"(3R)-6,6-dimethyl-2-methylene-norpinan-3-ol",PUBCHEM_IUPAC_OPENEYE_NAME,11684,bmse000561,1
"(3R)-6,6-dimethyl-2-methylene-3-norpinanol",PUBCHEM_IUPAC_CAS_NAME,11684,bmse000561,1
"(3R)-7,7-dimethyl-4-methylidene-bicyclo[3.1.1]heptan-3-ol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,11684,bmse000561,1
"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid",PUBCHEM_IUPAC_NAME,11706,bmse000562,1
"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,11706,bmse000562,1
"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,11706,bmse000562,1
"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid",PUBCHEM_IUPAC_CAS_NAME,11706,bmse000562,1
"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,11706,bmse000562,1
undecanoic acid,PUBCHEM_IUPAC_NAME,11728,bmse000563,1
undecanoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,11728,bmse000563,1
undecanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,11728,bmse000563,1
undecanoic acid,PUBCHEM_IUPAC_CAS_NAME,11728,bmse000563,1
undecanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11728,bmse000563,1
9H-fluoren-9-ol,PUBCHEM_IUPAC_NAME,11749,bmse000564,1
9H-fluoren-9-ol,PUBCHEM_IUPAC_TRADITIONAL_NAME,11749,bmse000564,1
9H-fluoren-9-ol,PUBCHEM_IUPAC_OPENEYE_NAME,11749,bmse000564,1
9H-fluoren-9-ol,PUBCHEM_IUPAC_CAS_NAME,11749,bmse000564,1
9H-fluoren-9-ol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11749,bmse000564,1
(Z)-dodec-5-enoic acid,PUBCHEM_IUPAC_NAME,11771,bmse000565,1
(Z)-dodec-5-enoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,11771,bmse000565,1
(Z)-dodec-5-enoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,11771,bmse000565,1
(Z)-dodec-5-enoic acid,PUBCHEM_IUPAC_CAS_NAME,11771,bmse000565,1
(Z)-dodec-5-enoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11771,bmse000565,1
"1,3-di(decanoyloxy)propan-2-yl decanoate",PUBCHEM_IUPAC_NAME,11793,bmse000566,1
capric acid [2-capryloxy-1-(capryloxymethyl)ethyl] ester,PUBCHEM_IUPAC_TRADITIONAL_NAME,11793,bmse000566,1
[2-decanoyloxy-1-(decanoyloxymethyl)ethyl] decanoate,PUBCHEM_IUPAC_OPENEYE_NAME,11793,bmse000566,1
decanoic acid [2-(1-oxodecoxy)-1-(1-oxodecoxymethyl)ethyl] ester,PUBCHEM_IUPAC_CAS_NAME,11793,bmse000566,1
"1,3-di(decanoyloxy)propan-2-yl decanoate",PUBCHEM_IUPAC_SYSTEMATIC_NAME,11793,bmse000566,1
"2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol",PUBCHEM_IUPAC_NAME,11815,bmse000567,1
"2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxy-phenyl)-1-methyl-ethyl]phenol",PUBCHEM_IUPAC_TRADITIONAL_NAME,11815,bmse000567,1
"2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxy-phenyl)-1-methyl-ethyl]phenol",PUBCHEM_IUPAC_OPENEYE_NAME,11815,bmse000567,1
"2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-methylethyl]phenol",PUBCHEM_IUPAC_CAS_NAME,11815,bmse000567,1
"2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxy-phenyl)propan-2-yl]phenol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,11815,bmse000567,1
"1,2-dichloroethane",PUBCHEM_IUPAC_CAS_NAME,11838,bmse000568,1
"1,2-dichloroethane",PUBCHEM_IUPAC_NAME,11838,bmse000568,1
"1,2-dichloroethane",PUBCHEM_IUPAC_OPENEYE_NAME,11838,bmse000568,1
"1,2-dichloroethane",PUBCHEM_IUPAC_SYSTEMATIC_NAME,11838,bmse000568,1
"1,2-dichloroethane",PUBCHEM_IUPAC_TRADITIONAL_NAME,11838,bmse000568,1
"(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol",PUBCHEM_IUPAC_CAS_NAME,11859,bmse000569,1
"(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol",PUBCHEM_IUPAC_NAME,11859,bmse000569,1
"(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol",PUBCHEM_IUPAC_OPENEYE_NAME,11859,bmse000569,1
"(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,11859,bmse000569,1
"(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol",PUBCHEM_IUPAC_TRADITIONAL_NAME,11859,bmse000569,1
(2S)-2-hydroxy-3-methylbutanoic acid,PUBCHEM_IUPAC_NAME,11880,bmse000570,1
(2S)-2-hydroxy-3-methyl-butyric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,11880,bmse000570,1
(2S)-2-hydroxy-3-methyl-butanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,11880,bmse000570,1
(2S)-2-hydroxy-3-methylbutanoic acid,PUBCHEM_IUPAC_CAS_NAME,11880,bmse000570,1
(2S)-2-hydroxy-3-methyl-butanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11880,bmse000570,1
2-hydroxyhexanoic acid,PUBCHEM_IUPAC_NAME,11901,bmse000571,1
2-hydroxyhexanoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,11901,bmse000571,1
2-hydroxyhexanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,11901,bmse000571,1
2-hydroxyhexanoic acid,PUBCHEM_IUPAC_CAS_NAME,11901,bmse000571,1
2-hydroxyhexanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11901,bmse000571,1
2-hydroxyoctanoic acid,PUBCHEM_IUPAC_NAME,11922,bmse000572,1
2-hydroxycaprylic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,11922,bmse000572,1
2-hydroxyoctanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,11922,bmse000572,1
2-hydroxyoctanoic acid,PUBCHEM_IUPAC_CAS_NAME,11922,bmse000572,1
2-hydroxyoctanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11922,bmse000572,1
2-hydroxy-2-(3-hydroxyphenyl)acetic acid,PUBCHEM_IUPAC_NAME,11944,bmse000573,1
2-hydroxy-2-(3-hydroxyphenyl)acetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,11944,bmse000573,1
2-hydroxy-2-(3-hydroxyphenyl)acetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,11944,bmse000573,1
2-hydroxy-2-(3-hydroxyphenyl)acetic acid,PUBCHEM_IUPAC_CAS_NAME,11944,bmse000573,1
2-hydroxy-2-(3-hydroxyphenyl)ethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11944,bmse000573,1
3-methyl-2-oxopentanoic acid,PUBCHEM_IUPAC_NAME,11966,bmse000574,1
2-keto-3-methyl-valeric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,11966,bmse000574,1
3-methyl-2-oxo-pentanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,11966,bmse000574,1
3-methyl-2-oxopentanoic acid,PUBCHEM_IUPAC_CAS_NAME,11966,bmse000574,1
3-methyl-2-oxo-pentanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11966,bmse000574,1
3-methylpentanedioic acid,PUBCHEM_IUPAC_NAME,11987,bmse000575,1
3-methylglutaric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,11987,bmse000575,1
3-methylpentanedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,11987,bmse000575,1
3-methylpentanedioic acid,PUBCHEM_IUPAC_CAS_NAME,11987,bmse000575,1
3-methylpentanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,11987,bmse000575,1
"1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone",PUBCHEM_IUPAC_NAME,12009,bmse000576,1
"1-(4-hydroxy-3,5-dimethoxy-phenyl)ethanone",PUBCHEM_IUPAC_TRADITIONAL_NAME,12009,bmse000576,1
"1-(4-hydroxy-3,5-dimethoxy-phenyl)ethanone",PUBCHEM_IUPAC_OPENEYE_NAME,12009,bmse000576,1
"1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone",PUBCHEM_IUPAC_CAS_NAME,12009,bmse000576,1
"1-(4-hydroxy-3,5-dimethoxy-phenyl)ethanone",PUBCHEM_IUPAC_SYSTEMATIC_NAME,12009,bmse000576,1
(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one,PUBCHEM_IUPAC_NAME,12032,bmse000577,1
(5S)-1-methyl-5-(3-pyridyl)-2-pyrrolidone,PUBCHEM_IUPAC_TRADITIONAL_NAME,12032,bmse000577,1
(5S)-1-methyl-5-(3-pyridyl)pyrrolidin-2-one,PUBCHEM_IUPAC_OPENEYE_NAME,12032,bmse000577,1
(5S)-1-methyl-5-(3-pyridyl)-2-pyrrolidinone,PUBCHEM_IUPAC_CAS_NAME,12032,bmse000577,1
(5S)-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12032,bmse000577,1
2-ethylpropanedioic acid,PUBCHEM_IUPAC_NAME,12054,bmse000578,1
2-ethylmalonic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,12054,bmse000578,1
2-ethylpropanedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,12054,bmse000578,1
2-ethylpropanedioic acid,PUBCHEM_IUPAC_CAS_NAME,12054,bmse000578,1
2-ethylpropanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12054,bmse000578,1
3-ethoxy-3-oxopropanoic acid,PUBCHEM_IUPAC_NAME,12076,bmse000579,1
3-ethoxy-3-keto-propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,12076,bmse000579,1
3-ethoxy-3-oxo-propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,12076,bmse000579,1
3-ethoxy-3-oxopropanoic acid,PUBCHEM_IUPAC_CAS_NAME,12076,bmse000579,1
3-ethoxy-3-oxo-propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12076,bmse000579,1
5-methoxy-5-oxopentanoic acid,PUBCHEM_IUPAC_NAME,12096,bmse000580,1
5-keto-5-methoxy-valeric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,12096,bmse000580,1
5-methoxy-5-oxo-pentanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,12096,bmse000580,1
5-methoxy-5-oxopentanoic acid,PUBCHEM_IUPAC_CAS_NAME,12096,bmse000580,1
5-methoxy-5-oxo-pentanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12096,bmse000580,1
3-methylbut-2-enoic acid,PUBCHEM_IUPAC_NAME,12111,bmse000581,1
3-methylbut-2-enoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,12111,bmse000581,1
3-methylbut-2-enoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,12111,bmse000581,1
3-methyl-2-butenoic acid,PUBCHEM_IUPAC_CAS_NAME,12111,bmse000581,1
3-methylbut-2-enoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12111,bmse000581,1
4-hydroxybenzaldehyde,PUBCHEM_IUPAC_NAME,12133,bmse000582,1
4-hydroxybenzaldehyde,PUBCHEM_IUPAC_TRADITIONAL_NAME,12133,bmse000582,1
4-hydroxybenzaldehyde,PUBCHEM_IUPAC_OPENEYE_NAME,12133,bmse000582,1
4-hydroxybenzaldehyde,PUBCHEM_IUPAC_CAS_NAME,12133,bmse000582,1
4-hydroxybenzaldehyde,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12133,bmse000582,1
4-hydroxybenzoic acid,PUBCHEM_IUPAC_NAME,12156,bmse000583,1
4-hydroxybenzoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,12156,bmse000583,1
4-hydroxybenzoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,12156,bmse000583,1
4-hydroxybenzoic acid,PUBCHEM_IUPAC_CAS_NAME,12156,bmse000583,1
4-hydroxybenzoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12156,bmse000583,1
1-(4-hydroxy-3-methoxyphenyl)ethanone,PUBCHEM_IUPAC_NAME,12179,bmse000584,1
1-(4-hydroxy-3-methoxy-phenyl)ethanone,PUBCHEM_IUPAC_TRADITIONAL_NAME,12179,bmse000584,1
1-(4-hydroxy-3-methoxy-phenyl)ethanone,PUBCHEM_IUPAC_OPENEYE_NAME,12179,bmse000584,1
1-(4-hydroxy-3-methoxyphenyl)ethanone,PUBCHEM_IUPAC_CAS_NAME,12179,bmse000584,1
1-(4-hydroxy-3-methoxy-phenyl)ethanone,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12179,bmse000584,1
4-(3-hydroxypropyl)-2-methoxyphenol,PUBCHEM_IUPAC_NAME,12202,bmse000585,1
4-(3-hydroxypropyl)-2-methoxy-phenol,PUBCHEM_IUPAC_TRADITIONAL_NAME,12202,bmse000585,1
4-(3-hydroxypropyl)-2-methoxy-phenol,PUBCHEM_IUPAC_OPENEYE_NAME,12202,bmse000585,1
4-(3-hydroxypropyl)-2-methoxyphenol,PUBCHEM_IUPAC_CAS_NAME,12202,bmse000585,1
4-(3-hydroxypropyl)-2-methoxy-phenol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12202,bmse000585,1
"4-(3-hydroxypropyl)-2,6-dimethoxyphenol",PUBCHEM_IUPAC_NAME,12225,bmse000586,1
"4-(3-hydroxypropyl)-2,6-dimethoxy-phenol",PUBCHEM_IUPAC_TRADITIONAL_NAME,12225,bmse000586,1
"4-(3-hydroxypropyl)-2,6-dimethoxy-phenol",PUBCHEM_IUPAC_OPENEYE_NAME,12225,bmse000586,1
"4-(3-hydroxypropyl)-2,6-dimethoxyphenol",PUBCHEM_IUPAC_CAS_NAME,12225,bmse000586,1
"4-(3-hydroxypropyl)-2,6-dimethoxy-phenol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,12225,bmse000586,1
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid,PUBCHEM_IUPAC_NAME,12248,bmse000587,1
(E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,12248,bmse000587,1
(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,12248,bmse000587,1
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid,PUBCHEM_IUPAC_CAS_NAME,12248,bmse000587,1
(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12248,bmse000587,1
1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid,PUBCHEM_IUPAC_NAME,12271,bmse000588,1
1-glycylproline,PUBCHEM_IUPAC_TRADITIONAL_NAME,12271,bmse000588,1
1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid,PUBCHEM_IUPAC_OPENEYE_NAME,12271,bmse000588,1
1-(2-amino-1-oxoethyl)-2-pyrrolidinecarboxylic acid,PUBCHEM_IUPAC_CAS_NAME,12271,bmse000588,1
1-(2-azanylethanoyl)pyrrolidine-2-carboxylic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12271,bmse000588,1
"methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate",PUBCHEM_IUPAC_NAME,12293,bmse000589,1
"(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid methyl ester",PUBCHEM_IUPAC_TRADITIONAL_NAME,12293,bmse000589,1
"methyl (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoate",PUBCHEM_IUPAC_OPENEYE_NAME,12293,bmse000589,1
"(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid methyl ester",PUBCHEM_IUPAC_CAS_NAME,12293,bmse000589,1
"methyl (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoate",PUBCHEM_IUPAC_SYSTEMATIC_NAME,12293,bmse000589,1
hexadecanoic acid,PUBCHEM_IUPAC_NAME,12315,bmse000590,1
palmitic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,12315,bmse000590,1
palmitic acid,PUBCHEM_IUPAC_OPENEYE_NAME,12315,bmse000590,1
palmitic acid,PUBCHEM_IUPAC_CAS_NAME,12315,bmse000590,1
hexadecanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12315,bmse000590,1
(E)-3-(4-hydroxyphenyl)prop-2-enoic acid,PUBCHEM_IUPAC_NAME,12336,bmse000591,1
(E)-3-(4-hydroxyphenyl)acrylic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,12336,bmse000591,1
(E)-3-(4-hydroxyphenyl)prop-2-enoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,12336,bmse000591,1
(E)-3-(4-hydroxyphenyl)-2-propenoic acid,PUBCHEM_IUPAC_CAS_NAME,12336,bmse000591,1
(E)-3-(4-hydroxyphenyl)prop-2-enoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12336,bmse000591,1
2-(4-aminobutyl)guanidine,IUPAC,16690,bmse000812,1
4-[(E)-3-hydroxyprop-1-enyl]phenol,PUBCHEM_IUPAC_NAME,12359,bmse000592,1
4-[(E)-3-hydroxyprop-1-enyl]phenol,PUBCHEM_IUPAC_TRADITIONAL_NAME,12359,bmse000592,1
4-[(E)-3-hydroxyprop-1-enyl]phenol,PUBCHEM_IUPAC_OPENEYE_NAME,12359,bmse000592,1
4-[(E)-3-hydroxyprop-1-enyl]phenol,PUBCHEM_IUPAC_CAS_NAME,12359,bmse000592,1
4-[(E)-3-hydroxyprop-1-enyl]phenol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12359,bmse000592,1
1-(4-hydroxyphenyl)ethanone,PUBCHEM_IUPAC_NAME,12381,bmse000593,1
1-(4-hydroxyphenyl)ethanone,PUBCHEM_IUPAC_TRADITIONAL_NAME,12381,bmse000593,1
1-(4-hydroxyphenyl)ethanone,PUBCHEM_IUPAC_OPENEYE_NAME,12381,bmse000593,1
1-(4-hydroxyphenyl)ethanone,PUBCHEM_IUPAC_CAS_NAME,12381,bmse000593,1
1-(4-hydroxyphenyl)ethanone,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12381,bmse000593,1
"(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid",PUBCHEM_IUPAC_NAME,12404,bmse000594,1
"(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,12404,bmse000594,1
"(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,12404,bmse000594,1
"(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid",PUBCHEM_IUPAC_CAS_NAME,12404,bmse000594,1
"(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,12404,bmse000594,1
"4-hydroxy-3,5-dimethoxybenzaldehyde",PUBCHEM_IUPAC_NAME,12427,bmse000595,1
"4-hydroxy-3,5-dimethoxy-benzaldehyde",PUBCHEM_IUPAC_TRADITIONAL_NAME,12427,bmse000595,1
"4-hydroxy-3,5-dimethoxy-benzaldehyde",PUBCHEM_IUPAC_OPENEYE_NAME,12427,bmse000595,1
"4-hydroxy-3,5-dimethoxybenzaldehyde",PUBCHEM_IUPAC_CAS_NAME,12427,bmse000595,1
"4-hydroxy-3,5-dimethoxy-benzaldehyde",PUBCHEM_IUPAC_SYSTEMATIC_NAME,12427,bmse000595,1
(E)-hex-3-enedioic acid,PUBCHEM_IUPAC_NAME,12450,bmse000596,1
(E)-hex-3-enedioic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,12450,bmse000596,1
(E)-hex-3-enedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,12450,bmse000596,1
(E)-3-hexenedioic acid,PUBCHEM_IUPAC_CAS_NAME,12450,bmse000596,1
(E)-hex-3-enedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12450,bmse000596,1
4-hydroxy-3-methoxybenzaldehyde,PUBCHEM_IUPAC_NAME,12472,bmse000597,1
4-hydroxy-3-methoxy-benzaldehyde,PUBCHEM_IUPAC_TRADITIONAL_NAME,12472,bmse000597,1
4-hydroxy-3-methoxy-benzaldehyde,PUBCHEM_IUPAC_OPENEYE_NAME,12472,bmse000597,1
4-hydroxy-3-methoxybenzaldehyde,PUBCHEM_IUPAC_CAS_NAME,12472,bmse000597,1
4-hydroxy-3-methoxy-benzaldehyde,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12472,bmse000597,1
"(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_NAME,12495,bmse000598,1
"(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,12495,bmse000598,1
"(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_OPENEYE_NAME,12495,bmse000598,1
"(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_CAS_NAME,12495,bmse000598,1
"(8R,9S,10R,13S,14S,17R)-17-ethanoyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,12495,bmse000598,1
(4-propan-2-ylphenyl)methanol,PUBCHEM_IUPAC_NAME,12518,bmse000599,1
(4-isopropylphenyl)methanol,PUBCHEM_IUPAC_TRADITIONAL_NAME,12518,bmse000599,1
(4-isopropylphenyl)methanol,PUBCHEM_IUPAC_OPENEYE_NAME,12518,bmse000599,1
(4-isopropylphenyl)methanol,PUBCHEM_IUPAC_CAS_NAME,12518,bmse000599,1
(4-propan-2-ylphenyl)methanol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12518,bmse000599,1
"(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol",PUBCHEM_IUPAC_NAME,12539,bmse000600,1
"(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol",PUBCHEM_IUPAC_TRADITIONAL_NAME,12539,bmse000600,1
"(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol",PUBCHEM_IUPAC_OPENEYE_NAME,12539,bmse000600,1
"(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-6-chromanol",PUBCHEM_IUPAC_CAS_NAME,12539,bmse000600,1
"(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,12539,bmse000600,1
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal,PUBCHEM_IUPAC_NAME,12560,bmse000601,1
(E)-3-(4-hydroxy-3-methoxy-phenyl)acrolein,PUBCHEM_IUPAC_TRADITIONAL_NAME,12560,bmse000601,1
(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enal,PUBCHEM_IUPAC_OPENEYE_NAME,12560,bmse000601,1
(E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenal,PUBCHEM_IUPAC_CAS_NAME,12560,bmse000601,1
(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enal,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12560,bmse000601,1
4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenol,PUBCHEM_IUPAC_NAME,12583,bmse000602,1
4-[(E)-3-hydroxyprop-1-enyl]-2-methoxy-phenol,PUBCHEM_IUPAC_TRADITIONAL_NAME,12583,bmse000602,1
4-[(E)-3-hydroxyprop-1-enyl]-2-methoxy-phenol,PUBCHEM_IUPAC_OPENEYE_NAME,12583,bmse000602,1
4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenol,PUBCHEM_IUPAC_CAS_NAME,12583,bmse000602,1
4-[(E)-3-hydroxyprop-1-enyl]-2-methoxy-phenol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12583,bmse000602,1
cyclohexanecarboxylic acid,PUBCHEM_IUPAC_NAME,12606,bmse000603,1
cyclohexanecarboxylic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,12606,bmse000603,1
cyclohexanecarboxylic acid,PUBCHEM_IUPAC_OPENEYE_NAME,12606,bmse000603,1
cyclohexanecarboxylic acid,PUBCHEM_IUPAC_CAS_NAME,12606,bmse000603,1
cyclohexanecarboxylic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12606,bmse000603,1
"(9Z,12Z)-octadeca-9,12-dienoic acid",PUBCHEM_IUPAC_NAME,12627,bmse000604,1
"(9Z,12Z)-octadeca-9,12-dienoic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,12627,bmse000604,1
"(9Z,12Z)-octadeca-9,12-dienoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,12627,bmse000604,1
"(9Z,12Z)-octadeca-9,12-dienoic acid",PUBCHEM_IUPAC_CAS_NAME,12627,bmse000604,1
"(9Z,12Z)-octadeca-9,12-dienoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,12627,bmse000604,1
methyl 3-(4-hydroxyphenyl)prop-2-enoate,PUBCHEM_IUPAC_NAME,12649,bmse000605,1
3-(4-hydroxyphenyl)acrylic acid methyl ester,PUBCHEM_IUPAC_TRADITIONAL_NAME,12649,bmse000605,1
methyl 3-(4-hydroxyphenyl)prop-2-enoate,PUBCHEM_IUPAC_OPENEYE_NAME,12649,bmse000605,1
3-(4-hydroxyphenyl)-2-propenoic acid methyl ester,PUBCHEM_IUPAC_CAS_NAME,12649,bmse000605,1
methyl 3-(4-hydroxyphenyl)prop-2-enoate,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12649,bmse000605,1
"(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal",PUBCHEM_IUPAC_NAME,12672,bmse000606,1
"(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrolein",PUBCHEM_IUPAC_TRADITIONAL_NAME,12672,bmse000606,1
"(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enal",PUBCHEM_IUPAC_OPENEYE_NAME,12672,bmse000606,1
"(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenal",PUBCHEM_IUPAC_CAS_NAME,12672,bmse000606,1
"(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enal",PUBCHEM_IUPAC_SYSTEMATIC_NAME,12672,bmse000606,1
"4-hydroxy-3,5-dimethoxybenzoic acid",PUBCHEM_IUPAC_NAME,12695,bmse000607,1
"4-hydroxy-3,5-dimethoxy-benzoic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,12695,bmse000607,1
"4-hydroxy-3,5-dimethoxy-benzoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,12695,bmse000607,1
"4-hydroxy-3,5-dimethoxybenzoic acid",PUBCHEM_IUPAC_CAS_NAME,12695,bmse000607,1
"4-hydroxy-3,5-dimethoxy-benzoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,12695,bmse000607,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxane-3,4,5-triol",PUBCHEM_IUPAC_NAME,12718,bmse000608,1
"(2S,3R,4S,5S,6R)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxy-phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_TRADITIONAL_NAME,12718,bmse000608,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxy-phenoxy]tetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_OPENEYE_NAME,12718,bmse000608,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]tetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_CAS_NAME,12718,bmse000608,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxy-phenoxy]oxane-3,4,5-triol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,12718,bmse000608,1
methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate,PUBCHEM_IUPAC_NAME,12739,bmse000609,1
(E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid methyl ester,PUBCHEM_IUPAC_TRADITIONAL_NAME,12739,bmse000609,1
methyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate,PUBCHEM_IUPAC_OPENEYE_NAME,12739,bmse000609,1
(E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid methyl ester,PUBCHEM_IUPAC_CAS_NAME,12739,bmse000609,1
methyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12739,bmse000609,1
2-acetamidoacetic acid,PUBCHEM_IUPAC_NAME,12761,bmse000610,1
2-acetamidoacetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,12761,bmse000610,1
2-acetamidoacetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,12761,bmse000610,1
2-acetamidoacetic acid,PUBCHEM_IUPAC_CAS_NAME,12761,bmse000610,1
2-acetamidoethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12761,bmse000610,1
(E)-3-(4-hydroxyphenyl)prop-2-enal,PUBCHEM_IUPAC_NAME,12781,bmse000611,1
(E)-3-(4-hydroxyphenyl)acrolein,PUBCHEM_IUPAC_TRADITIONAL_NAME,12781,bmse000611,1
(E)-3-(4-hydroxyphenyl)prop-2-enal,PUBCHEM_IUPAC_OPENEYE_NAME,12781,bmse000611,1
(E)-3-(4-hydroxyphenyl)-2-propenal,PUBCHEM_IUPAC_CAS_NAME,12781,bmse000611,1
(E)-3-(4-hydroxyphenyl)prop-2-enal,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12781,bmse000611,1
"4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenol",PUBCHEM_IUPAC_NAME,12803,bmse000612,1
"4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxy-phenol",PUBCHEM_IUPAC_TRADITIONAL_NAME,12803,bmse000612,1
"4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxy-phenol",PUBCHEM_IUPAC_OPENEYE_NAME,12803,bmse000612,1
"4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenol",PUBCHEM_IUPAC_CAS_NAME,12803,bmse000612,1
"4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxy-phenol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,12803,bmse000612,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol",PUBCHEM_IUPAC_NAME,12824,bmse000613,1
"(2S,3R,4S,5S,6R)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxy-phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_TRADITIONAL_NAME,12824,bmse000613,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxy-phenoxy]tetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_OPENEYE_NAME,12824,bmse000613,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]tetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_CAS_NAME,12824,bmse000613,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxy-phenoxy]oxane-3,4,5-triol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,12824,bmse000613,1
4-hydroxy-3-methoxybenzoic acid,PUBCHEM_IUPAC_NAME,12845,bmse000614,1
vanillic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,12845,bmse000614,1
4-hydroxy-3-methoxy-benzoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,12845,bmse000614,1
4-hydroxy-3-methoxybenzoic acid,PUBCHEM_IUPAC_CAS_NAME,12845,bmse000614,1
4-hydroxy-3-methoxy-benzoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12845,bmse000614,1
2-(furan-2-carbonylamino)acetic acid,PUBCHEM_IUPAC_NAME,12867,bmse000615,1
2-(2-furoylamino)acetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,12867,bmse000615,1
2-(furan-2-carbonylamino)acetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,12867,bmse000615,1
2-[[2-furyl(oxo)methyl]amino]acetic acid,PUBCHEM_IUPAC_CAS_NAME,12867,bmse000615,1
2-(furan-2-ylcarbonylamino)ethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12867,bmse000615,1
(E)-oct-2-enoic acid,PUBCHEM_IUPAC_NAME,12889,bmse000616,1
(E)-oct-2-enoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,12889,bmse000616,1
(E)-oct-2-enoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,12889,bmse000616,1
(E)-2-octenoic acid,PUBCHEM_IUPAC_CAS_NAME,12889,bmse000616,1
(E)-oct-2-enoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12889,bmse000616,1
2-phenylbutanoic acid,PUBCHEM_IUPAC_NAME,12912,bmse000617,1
2-phenylbutyric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,12912,bmse000617,1
2-phenylbutanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,12912,bmse000617,1
2-phenylbutanoic acid,PUBCHEM_IUPAC_CAS_NAME,12912,bmse000617,1
2-phenylbutanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12912,bmse000617,1
(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid,PUBCHEM_IUPAC_NAME,12934,bmse000618,1
(E)-3-(3-hydroxy-4-methoxy-phenyl)acrylic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,12934,bmse000618,1
(E)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,12934,bmse000618,1
(E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoic acid,PUBCHEM_IUPAC_CAS_NAME,12934,bmse000618,1
(E)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12934,bmse000618,1
(3R)-3-methylhexanedioic acid,PUBCHEM_IUPAC_NAME,12957,bmse000619,1
(3R)-3-methyladipic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,12957,bmse000619,1
(3R)-3-methylhexanedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,12957,bmse000619,1
(3R)-3-methylhexanedioic acid,PUBCHEM_IUPAC_CAS_NAME,12957,bmse000619,1
(3R)-3-methylhexanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12957,bmse000619,1
2-hydroxy-3-methylbenzoic acid,PUBCHEM_IUPAC_NAME,12980,bmse000620,1
2-hydroxy-3-methyl-benzoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,12980,bmse000620,1
2-hydroxy-3-methyl-benzoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,12980,bmse000620,1
2-hydroxy-3-methylbenzoic acid,PUBCHEM_IUPAC_CAS_NAME,12980,bmse000620,1
2-hydroxy-3-methyl-benzoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,12980,bmse000620,1
(NE)-N-(pyridin-3-ylmethylidene)hydroxylamine,PUBCHEM_IUPAC_NAME,13003,bmse000621,1
nicotinaldehyde oxime,PUBCHEM_IUPAC_TRADITIONAL_NAME,13003,bmse000621,1
pyridine-3-carbaldehyde oxime,PUBCHEM_IUPAC_OPENEYE_NAME,13003,bmse000621,1
3-pyridinecarboxaldehyde oxime,PUBCHEM_IUPAC_CAS_NAME,13003,bmse000621,1
(NE)-N-(pyridin-3-ylmethylidene)hydroxylamine,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13003,bmse000621,1
pyridine-3-carbonitrile,PUBCHEM_IUPAC_NAME,13025,bmse000622,1
nicotinonitrile,PUBCHEM_IUPAC_TRADITIONAL_NAME,13025,bmse000622,1
pyridine-3-carbonitrile,PUBCHEM_IUPAC_OPENEYE_NAME,13025,bmse000622,1
3-pyridinecarbonitrile,PUBCHEM_IUPAC_CAS_NAME,13025,bmse000622,1
pyridine-3-carbonitrile,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13025,bmse000622,1
4-(hydroxymethyl)phenol,PUBCHEM_IUPAC_NAME,13047,bmse000623,1
4-methylolphenol,PUBCHEM_IUPAC_TRADITIONAL_NAME,13047,bmse000623,1
4-(hydroxymethyl)phenol,PUBCHEM_IUPAC_OPENEYE_NAME,13047,bmse000623,1
4-(hydroxymethyl)phenol,PUBCHEM_IUPAC_CAS_NAME,13047,bmse000623,1
4-(hydroxymethyl)phenol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13047,bmse000623,1
2-hydroxy-4-methylbenzoic acid,PUBCHEM_IUPAC_NAME,13069,bmse000624,1
2-hydroxy-4-methyl-benzoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,13069,bmse000624,1
2-hydroxy-4-methyl-benzoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,13069,bmse000624,1
2-hydroxy-4-methylbenzoic acid,PUBCHEM_IUPAC_CAS_NAME,13069,bmse000624,1
2-hydroxy-4-methyl-benzoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13069,bmse000624,1
4-methylpentanoic acid,PUBCHEM_IUPAC_NAME,13092,bmse000625,1
4-methylvaleric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,13092,bmse000625,1
4-methylpentanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,13092,bmse000625,1
4-methylpentanoic acid,PUBCHEM_IUPAC_CAS_NAME,13092,bmse000625,1
4-methylpentanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13092,bmse000625,1
2-(5-methoxy-1H-indol-3-yl)ethanamine,PUBCHEM_IUPAC_NAME,13115,bmse000626,1
2-(5-methoxy-1H-indol-3-yl)ethylamine,PUBCHEM_IUPAC_TRADITIONAL_NAME,13115,bmse000626,1
2-(5-methoxy-1H-indol-3-yl)ethanamine,PUBCHEM_IUPAC_OPENEYE_NAME,13115,bmse000626,1
2-(5-methoxy-1H-indol-3-yl)ethanamine,PUBCHEM_IUPAC_CAS_NAME,13115,bmse000626,1
2-(5-methoxy-1H-indol-3-yl)ethanamine,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13115,bmse000626,1
3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid,PUBCHEM_IUPAC_NAME,13138,bmse000627,1
3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(5-keto-4-methyl-3-vinyl-3-pyrrolin-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(5-keto-3-methyl-4-vinyl-3-pyrrolin-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,13138,bmse000627,1
3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,13138,bmse000627,1
3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-2-pyrrolylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-2-pyrrolylidene)methyl]-1H-pyrrol-3-yl]propanoic acid,PUBCHEM_IUPAC_CAS_NAME,13138,bmse000627,1
3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13138,bmse000627,1
"4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine",PUBCHEM_IUPAC_NAME,13161,bmse000628,1
"4-[3-(4-tert-butylphenyl)-2-methyl-propyl]-2,6-dimethyl-morpholine",PUBCHEM_IUPAC_TRADITIONAL_NAME,13161,bmse000628,1
"4-[3-(4-tert-butylphenyl)-2-methyl-propyl]-2,6-dimethyl-morpholine",PUBCHEM_IUPAC_OPENEYE_NAME,13161,bmse000628,1
"4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine",PUBCHEM_IUPAC_CAS_NAME,13161,bmse000628,1
"4-[3-(4-tert-butylphenyl)-2-methyl-propyl]-2,6-dimethyl-morpholine",PUBCHEM_IUPAC_SYSTEMATIC_NAME,13161,bmse000628,1
(2S)-2-amino-2-(4-hydroxyphenyl)acetic acid,PUBCHEM_IUPAC_NAME,13184,bmse000629,1
(2S)-2-amino-2-(4-hydroxyphenyl)acetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,13184,bmse000629,1
(2S)-2-amino-2-(4-hydroxyphenyl)acetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,13184,bmse000629,1
(2S)-2-amino-2-(4-hydroxyphenyl)acetic acid,PUBCHEM_IUPAC_CAS_NAME,13184,bmse000629,1
(2S)-2-azanyl-2-(4-hydroxyphenyl)ethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13184,bmse000629,1
N-cyclohexylformamide,PUBCHEM_IUPAC_NAME,13207,bmse000630,1
N-cyclohexylformamide,PUBCHEM_IUPAC_TRADITIONAL_NAME,13207,bmse000630,1
N-cyclohexylformamide,PUBCHEM_IUPAC_OPENEYE_NAME,13207,bmse000630,1
N-cyclohexylformamide,PUBCHEM_IUPAC_CAS_NAME,13207,bmse000630,1
N-cyclohexylmethanamide,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13207,bmse000630,1
2-amino-3-phosphonooxybutanoic acid,PUBCHEM_IUPAC_NAME,13230,bmse000631,1
2-amino-3-phosphonooxy-butyric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,13230,bmse000631,1
2-amino-3-phosphonooxy-butanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,13230,bmse000631,1
2-amino-3-phosphonooxybutanoic acid,PUBCHEM_IUPAC_CAS_NAME,13230,bmse000631,1
2-azanyl-3-phosphonooxy-butanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13230,bmse000631,1
2-sulfoacetic acid,PUBCHEM_IUPAC_NAME,13252,bmse000632,1
2-sulfoacetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,13252,bmse000632,1
2-sulfoacetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,13252,bmse000632,1
2-sulfoacetic acid,PUBCHEM_IUPAC_CAS_NAME,13252,bmse000632,1
2-sulfoethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13252,bmse000632,1
"1,1,2,2-tetrachloroethene",PUBCHEM_IUPAC_NAME,13273,bmse000633,1
"1,1,2,2-tetrachloroethylene",PUBCHEM_IUPAC_TRADITIONAL_NAME,13273,bmse000633,1
"1,1,2,2-tetrachloroethylene",PUBCHEM_IUPAC_OPENEYE_NAME,13273,bmse000633,1
"1,1,2,2-tetrachloroethylene",PUBCHEM_IUPAC_CAS_NAME,13273,bmse000633,1
"1,1,2,2-tetrachloroethene",PUBCHEM_IUPAC_SYSTEMATIC_NAME,13273,bmse000633,1
"1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene",PUBCHEM_IUPAC_CAS_NAME,13290,bmse000634,1
"1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene",PUBCHEM_IUPAC_NAME,13290,bmse000634,1
"1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene",PUBCHEM_IUPAC_OPENEYE_NAME,13290,bmse000634,1
"1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene",PUBCHEM_IUPAC_SYSTEMATIC_NAME,13290,bmse000634,1
"1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene",PUBCHEM_IUPAC_TRADITIONAL_NAME,13290,bmse000634,1
2-(4-chlorophenoxy)acetic acid,PUBCHEM_IUPAC_NAME,13309,bmse000635,1
2-(4-chlorophenoxy)acetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,13309,bmse000635,1
2-(4-chlorophenoxy)acetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,13309,bmse000635,1
2-(4-chlorophenoxy)acetic acid,PUBCHEM_IUPAC_CAS_NAME,13309,bmse000635,1
2-(4-chlorophenoxy)ethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13309,bmse000635,1
2-[(2-phenylacetyl)amino]acetic acid,PUBCHEM_IUPAC_NAME,13322,bmse000636,1
2-[(2-phenylacetyl)amino]acetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,13322,bmse000636,1
2-[(2-phenylacetyl)amino]acetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,13322,bmse000636,1
2-[(1-oxo-2-phenylethyl)amino]acetic acid,PUBCHEM_IUPAC_CAS_NAME,13322,bmse000636,1
2-(2-phenylethanoylamino)ethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13322,bmse000636,1
2-phosphonoacetic acid,PUBCHEM_IUPAC_NAME,13335,bmse000637,1
2-phosphonoacetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,13335,bmse000637,1
2-phosphonoacetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,13335,bmse000637,1
2-phosphonoacetic acid,PUBCHEM_IUPAC_CAS_NAME,13335,bmse000637,1
2-phosphonoethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13335,bmse000637,1
(4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde,PUBCHEM_IUPAC_NAME,13350,bmse000638,1
(4S)-4-isopropenylcyclohexene-1-carbaldehyde,PUBCHEM_IUPAC_TRADITIONAL_NAME,13350,bmse000638,1
(4S)-4-isopropenylcyclohexene-1-carbaldehyde,PUBCHEM_IUPAC_OPENEYE_NAME,13350,bmse000638,1
(4S)-4-isopropenyl-1-cyclohexenecarboxaldehyde,PUBCHEM_IUPAC_CAS_NAME,13350,bmse000638,1
(4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13350,bmse000638,1
1-methylpyridin-1-ium-3-carboxamide,PUBCHEM_IUPAC_NAME,13372,bmse000639,1
1-methylpyridin-1-ium-3-carboxamide,PUBCHEM_IUPAC_TRADITIONAL_NAME,13372,bmse000639,1
1-methylpyridin-1-ium-3-carboxamide,PUBCHEM_IUPAC_OPENEYE_NAME,13372,bmse000639,1
1-methyl-3-pyridin-1-iumcarboxamide,PUBCHEM_IUPAC_CAS_NAME,13372,bmse000639,1
1-methylpyridin-1-ium-3-carboxamide,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13372,bmse000639,1
"2-(2,4,5-trichlorophenoxy)acetic acid",PUBCHEM_IUPAC_CAS_NAME,13394,bmse000640,1
"2-(2,4,5-trichlorophenoxy)acetic acid",PUBCHEM_IUPAC_NAME,13394,bmse000640,1
"2-(2,4,5-trichlorophenoxy)acetic acid",PUBCHEM_IUPAC_OPENEYE_NAME,13394,bmse000640,1
"2-(2,4,5-trichlorophenoxy)ethanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,13394,bmse000640,1
"2-(2,4,5-trichlorophenoxy)acetic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,13394,bmse000640,1
3-(carbamoylamino)propanoic acid,PUBCHEM_IUPAC_NAME,13416,bmse000641,1
3-ureidopropionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,13416,bmse000641,1
3-ureidopropanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,13416,bmse000641,1
3-ureidopropanoic acid,PUBCHEM_IUPAC_CAS_NAME,13416,bmse000641,1
3-(aminocarbonylamino)propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13416,bmse000641,1
"(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol",PUBCHEM_IUPAC_NAME,13438,bmse000642,1
"(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol",PUBCHEM_IUPAC_TRADITIONAL_NAME,13438,bmse000642,1
"(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol",PUBCHEM_IUPAC_OPENEYE_NAME,13438,bmse000642,1
"(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol",PUBCHEM_IUPAC_CAS_NAME,13438,bmse000642,1
"(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,13438,bmse000642,1
(E)-octadec-9-enoic acid,PUBCHEM_IUPAC_NAME,13460,bmse000643,1
elaidic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,13460,bmse000643,1
(E)-octadec-9-enoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,13460,bmse000643,1
(E)-9-octadecenoic acid,PUBCHEM_IUPAC_CAS_NAME,13460,bmse000643,1
(E)-octadec-9-enoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13460,bmse000643,1
"2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid",PUBCHEM_IUPAC_NAME,13482,bmse000644,1
"2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,13482,bmse000644,1
"2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid",PUBCHEM_IUPAC_OPENEYE_NAME,13482,bmse000644,1
"2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-oxopentyl]amino]acetic acid",PUBCHEM_IUPAC_CAS_NAME,13482,bmse000644,1
"2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,13482,bmse000644,1
1H-indole-3-carbaldehyde,PUBCHEM_IUPAC_NAME,13504,bmse000645,1
1H-indole-3-carbaldehyde,PUBCHEM_IUPAC_TRADITIONAL_NAME,13504,bmse000645,1
1H-indole-3-carbaldehyde,PUBCHEM_IUPAC_OPENEYE_NAME,13504,bmse000645,1
1H-indole-3-carboxaldehyde,PUBCHEM_IUPAC_CAS_NAME,13504,bmse000645,1
1H-indole-3-carbaldehyde,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13504,bmse000645,1
3-(1H-indol-3-yl)-2-oxopropanoic acid,PUBCHEM_IUPAC_NAME,13527,bmse000646,1
3-(1H-indol-3-yl)-2-keto-propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,13527,bmse000646,1
3-(1H-indol-3-yl)-2-oxo-propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,13527,bmse000646,1
3-(1H-indol-3-yl)-2-oxopropanoic acid,PUBCHEM_IUPAC_CAS_NAME,13527,bmse000646,1
3-(1H-indol-3-yl)-2-oxo-propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13527,bmse000646,1
acetaldehyde,PUBCHEM_IUPAC_NAME,13549,bmse000647,1
acetaldehyde,PUBCHEM_IUPAC_TRADITIONAL_NAME,13549,bmse000647,1
acetaldehyde,PUBCHEM_IUPAC_OPENEYE_NAME,13549,bmse000647,1
acetaldehyde,PUBCHEM_IUPAC_CAS_NAME,13549,bmse000647,1
ethanal,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13549,bmse000647,1
"(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid",PUBCHEM_IUPAC_NAME,13570,bmse000648,1
"(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-propionic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,13570,bmse000648,1
"(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-propanoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,13570,bmse000648,1
"(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoallyloxy]propanoic acid",PUBCHEM_IUPAC_CAS_NAME,13570,bmse000648,1
"(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-propanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,13570,bmse000648,1
"[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate",PUBCHEM_IUPAC_NAME,13592,bmse000649,1
"3-hydroxy-2-phenyl-propionic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester",PUBCHEM_IUPAC_TRADITIONAL_NAME,13592,bmse000649,1
"[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate",PUBCHEM_IUPAC_OPENEYE_NAME,13592,bmse000649,1
"3-hydroxy-2-phenylpropanoic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester",PUBCHEM_IUPAC_CAS_NAME,13592,bmse000649,1
"[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate",PUBCHEM_IUPAC_SYSTEMATIC_NAME,13592,bmse000649,1
"(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_NAME,13614,bmse000650,1
"(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,13614,bmse000650,1
"(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,13614,bmse000650,1
"(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_CAS_NAME,13614,bmse000650,1
"(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,13614,bmse000650,1
"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid",PUBCHEM_IUPAC_NAME,13636,bmse000651,1
"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,13636,bmse000651,1
"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid",PUBCHEM_IUPAC_OPENEYE_NAME,13636,bmse000651,1
"2-[[(4R)-1-oxo-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]acetic acid",PUBCHEM_IUPAC_CAS_NAME,13636,bmse000651,1
"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,13636,bmse000651,1
"(2S,3R,4S,5R,6R)-2-[(2R,3S,4S,5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",PUBCHEM_IUPAC_NAME,13659,bmse000652,1
"(2S,3R,4S,5R,6R)-2-[(2R,3S,4S,5S)-4,5-dihydroxy-2,5-dimethylol-tetrahydrofuran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_TRADITIONAL_NAME,13659,bmse000652,1
"(2S,3R,4S,5R,6R)-2-[(2R,3S,4S,5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_OPENEYE_NAME,13659,bmse000652,1
"(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)-3-tetrahydrofuranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_CAS_NAME,13659,bmse000652,1
"(2S,3R,4S,5R,6R)-2-[(2R,3S,4S,5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,13659,bmse000652,1
potassium diethoxy-oxido-thioxophosphorane,PUBCHEM_IUPAC_CAS_NAME,13681,bmse000653,1
potassium diethoxy-oxido-sulfanylidene-$l^{5}-phosphane,PUBCHEM_IUPAC_NAME,13681,bmse000653,1
potassium diethoxy-oxido-thioxo-phosphorane,PUBCHEM_IUPAC_OPENEYE_NAME,13681,bmse000653,1
2-(4-aminobutyl)guanidine,IUPAC_TRADITIONAL,16690,bmse000812,1
potassium diethoxy-oxidanidyl-sulfanylidene-$l^{5}-phosphane,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13681,bmse000653,1
potassium diethoxy-oxido-thioxo-phosphorane,PUBCHEM_IUPAC_TRADITIONAL_NAME,13681,bmse000653,1
2-methylpentanedioic acid,PUBCHEM_IUPAC_NAME,13702,bmse000654,1
2-methylglutaric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,13702,bmse000654,1
2-methylpentanedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,13702,bmse000654,1
2-methylpentanedioic acid,PUBCHEM_IUPAC_CAS_NAME,13702,bmse000654,1
2-methylpentanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13702,bmse000654,1
"(1R,2S)-1,2-dihydronaphthalene-1,2-diol",PUBCHEM_IUPAC_NAME,13725,bmse000655,1
"(1R,2S)-1,2-dihydronaphthalene-1,2-diol",PUBCHEM_IUPAC_TRADITIONAL_NAME,13725,bmse000655,1
"(1R,2S)-1,2-dihydronaphthalene-1,2-diol",PUBCHEM_IUPAC_OPENEYE_NAME,13725,bmse000655,1
"(1R,2S)-1,2-dihydronaphthalene-1,2-diol",PUBCHEM_IUPAC_CAS_NAME,13725,bmse000655,1
"(1R,2S)-1,2-dihydronaphthalene-1,2-diol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,13725,bmse000655,1
cyanamide,PUBCHEM_IUPAC_NAME,13748,bmse000656,1
cyanamide,PUBCHEM_IUPAC_TRADITIONAL_NAME,13748,bmse000656,1
cyanamide,PUBCHEM_IUPAC_OPENEYE_NAME,13748,bmse000656,1
cyanamide,PUBCHEM_IUPAC_CAS_NAME,13748,bmse000656,1
cyanamide,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13748,bmse000656,1
cyclohexylsulfamic acid,PUBCHEM_IUPAC_NAME,13766,bmse000657,1
cyclohexylsulfamic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,13766,bmse000657,1
cyclohexylsulfamic acid,PUBCHEM_IUPAC_OPENEYE_NAME,13766,bmse000657,1
cyclohexylsulfamic acid,PUBCHEM_IUPAC_CAS_NAME,13766,bmse000657,1
cyclohexylsulfamic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13766,bmse000657,1
2-[(2-phenylacetyl)amino]acetic acid,PUBCHEM_IUPAC_NAME,13788,bmse000658,1
2-[(2-phenylacetyl)amino]acetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,13788,bmse000658,1
2-[(2-phenylacetyl)amino]acetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,13788,bmse000658,1
2-[(1-oxo-2-phenylethyl)amino]acetic acid,PUBCHEM_IUPAC_CAS_NAME,13788,bmse000658,1
2-(2-phenylethanoylamino)ethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13788,bmse000658,1
2-phenylethanol,PUBCHEM_IUPAC_NAME,13811,bmse000659,1
2-phenylethanol,PUBCHEM_IUPAC_TRADITIONAL_NAME,13811,bmse000659,1
2-phenylethanol,PUBCHEM_IUPAC_OPENEYE_NAME,13811,bmse000659,1
2-phenylethanol,PUBCHEM_IUPAC_CAS_NAME,13811,bmse000659,1
2-phenylethanol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13811,bmse000659,1
2-phosphonoacetic acid,PUBCHEM_IUPAC_NAME,13833,bmse000660,1
2-phosphonoacetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,13833,bmse000660,1
2-phosphonoacetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,13833,bmse000660,1
2-phosphonoacetic acid,PUBCHEM_IUPAC_CAS_NAME,13833,bmse000660,1
2-phosphonoethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13833,bmse000660,1
"2,5-dichlorobenzene-1,4-diol",PUBCHEM_IUPAC_CAS_NAME,13854,bmse000661,1
"2,5-dichlorobenzene-1,4-diol",PUBCHEM_IUPAC_NAME,13854,bmse000661,1
"2,5-dichlorobenzene-1,4-diol",PUBCHEM_IUPAC_OPENEYE_NAME,13854,bmse000661,1
"2,5-dichlorobenzene-1,4-diol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,13854,bmse000661,1
"2,5-dichlorohydroquinone",PUBCHEM_IUPAC_TRADITIONAL_NAME,13854,bmse000661,1
4-propan-2-ylbenzoic acid,PUBCHEM_IUPAC_NAME,13876,bmse000662,1
cumic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,13876,bmse000662,1
4-isopropylbenzoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,13876,bmse000662,1
4-isopropylbenzoic acid,PUBCHEM_IUPAC_CAS_NAME,13876,bmse000662,1
4-propan-2-ylbenzoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13876,bmse000662,1
"(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione",PUBCHEM_IUPAC_NAME,13899,bmse000663,1
"(8S,9S,10R,13S,14S,17R)-17-glycoloyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-quinone",PUBCHEM_IUPAC_TRADITIONAL_NAME,13899,bmse000663,1
"(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione",PUBCHEM_IUPAC_OPENEYE_NAME,13899,bmse000663,1
"(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione",PUBCHEM_IUPAC_CAS_NAME,13899,bmse000663,1
"(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione",PUBCHEM_IUPAC_SYSTEMATIC_NAME,13899,bmse000663,1
"(2R,4S,5R,8R,12R,14R)-11-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3,4,12-trihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6-oxacyclotetradecane-1,7-dione",PUBCHEM_IUPAC_NAME,13922,bmse000664,1
"(2R,4S,5R,8R,12R,14R)-11-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-ethyl-3,4,12-trihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6-oxacyclotetradecane-1,7-quinone",PUBCHEM_IUPAC_TRADITIONAL_NAME,13922,bmse000664,1
"(2R,4S,5R,8R,12R,14R)-11-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-ethyl-3,4,12-trihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6-oxacyclotetradecane-1,7-dione",PUBCHEM_IUPAC_OPENEYE_NAME,13922,bmse000664,1
"(2R,4S,5R,8R,12R,14R)-11-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-5-ethyl-3,4,12-trihydroxy-9-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-tetrahydropyranyl]oxy]-2,4,8,10,12,14-hexamethyl-6-oxacyclotetradecane-1,7-dione",PUBCHEM_IUPAC_CAS_NAME,13922,bmse000664,1
"(2R,4S,5R,8R,12R,14R)-11-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-oxan-2-yl]oxy-5-ethyl-3,4,12-trihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6-oxacyclotetradecane-1,7-dione",PUBCHEM_IUPAC_SYSTEMATIC_NAME,13922,bmse000664,1
"(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_NAME,13943,bmse000665,1
"(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,13943,bmse000665,1
2-(4-aminobutyl)guanidine,IUPAC_CAS,16690,bmse000812,1
"(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_OPENEYE_NAME,13943,bmse000665,1
"(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_CAS_NAME,13943,bmse000665,1
"(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,13943,bmse000665,1
9H-carbazole,PUBCHEM_IUPAC_NAME,13964,bmse000666,1
9H-carbazole,PUBCHEM_IUPAC_TRADITIONAL_NAME,13964,bmse000666,1
9H-carbazole,PUBCHEM_IUPAC_OPENEYE_NAME,13964,bmse000666,1
9H-carbazole,PUBCHEM_IUPAC_CAS_NAME,13964,bmse000666,1
9H-carbazole,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13964,bmse000666,1
2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol,PUBCHEM_IUPAC_NAME,13985,bmse000667,1
2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol,PUBCHEM_IUPAC_TRADITIONAL_NAME,13985,bmse000667,1
2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol,PUBCHEM_IUPAC_OPENEYE_NAME,13985,bmse000667,1
2-[(1S)-4-methyl-1-cyclohex-3-enyl]-2-propanol,PUBCHEM_IUPAC_CAS_NAME,13985,bmse000667,1
2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,13985,bmse000667,1
benzamide,PUBCHEM_IUPAC_NAME,14006,bmse000668,1
benzamide,PUBCHEM_IUPAC_TRADITIONAL_NAME,14006,bmse000668,1
benzamide,PUBCHEM_IUPAC_OPENEYE_NAME,14006,bmse000668,1
benzamide,PUBCHEM_IUPAC_CAS_NAME,14006,bmse000668,1
benzamide,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14006,bmse000668,1
"(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_NAME,14027,bmse000669,1
"(8S,9S,10R,11S,13S,14S,17S)-17-glycoloyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,14027,bmse000669,1
"(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_OPENEYE_NAME,14027,bmse000669,1
"(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_CAS_NAME,14027,bmse000669,1
"(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,14027,bmse000669,1
1-(4-hydroxyphenyl)ethanone,PUBCHEM_IUPAC_NAME,14049,bmse000670,1
1-(4-hydroxyphenyl)ethanone,PUBCHEM_IUPAC_TRADITIONAL_NAME,14049,bmse000670,1
1-(4-hydroxyphenyl)ethanone,PUBCHEM_IUPAC_OPENEYE_NAME,14049,bmse000670,1
1-(4-hydroxyphenyl)ethanone,PUBCHEM_IUPAC_CAS_NAME,14049,bmse000670,1
1-(4-hydroxyphenyl)ethanone,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14049,bmse000670,1
"2,2-bis(4-chlorophenyl)ethanol",PUBCHEM_IUPAC_NAME,14070,bmse000671,1
"2,2-bis(4-chlorophenyl)ethanol",PUBCHEM_IUPAC_TRADITIONAL_NAME,14070,bmse000671,1
"2,2-bis(4-chlorophenyl)ethanol",PUBCHEM_IUPAC_OPENEYE_NAME,14070,bmse000671,1
"2,2-bis(4-chlorophenyl)ethanol",PUBCHEM_IUPAC_CAS_NAME,14070,bmse000671,1
"2,2-bis(4-chlorophenyl)ethanol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,14070,bmse000671,1
"2,4-dichlorobenzoic acid",PUBCHEM_IUPAC_NAME,14092,bmse000672,1
"2,4-dichlorobenzoic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,14092,bmse000672,1
"2,4-dichlorobenzoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,14092,bmse000672,1
"2,4-dichlorobenzoic acid",PUBCHEM_IUPAC_CAS_NAME,14092,bmse000672,1
"2,4-dichlorobenzoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,14092,bmse000672,1
"2,5-dichlorophenol",PUBCHEM_IUPAC_NAME,14113,bmse000673,1
"2,5-dichlorophenol",PUBCHEM_IUPAC_TRADITIONAL_NAME,14113,bmse000673,1
"2,5-dichlorophenol",PUBCHEM_IUPAC_OPENEYE_NAME,14113,bmse000673,1
"2,5-dichlorophenol",PUBCHEM_IUPAC_CAS_NAME,14113,bmse000673,1
"2,5-dichlorophenol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,14113,bmse000673,1
"2,6-dichlorophenol",PUBCHEM_IUPAC_NAME,14135,bmse000674,1
"2,6-dichlorophenol",PUBCHEM_IUPAC_TRADITIONAL_NAME,14135,bmse000674,1
"2,6-dichlorophenol",PUBCHEM_IUPAC_OPENEYE_NAME,14135,bmse000674,1
"2,6-dichlorophenol",PUBCHEM_IUPAC_CAS_NAME,14135,bmse000674,1
"2,6-dichlorophenol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,14135,bmse000674,1
3-phenylpropanoic acid,PUBCHEM_IUPAC_NAME,14156,bmse000675,1
hydrocinnamic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,14156,bmse000675,1
3-phenylpropanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,14156,bmse000675,1
3-phenylpropanoic acid,PUBCHEM_IUPAC_CAS_NAME,14156,bmse000675,1
3-phenylpropanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14156,bmse000675,1
nitrobenzene,PUBCHEM_IUPAC_NAME,14177,bmse000676,1
nitrobenzene,PUBCHEM_IUPAC_TRADITIONAL_NAME,14177,bmse000676,1
nitrobenzene,PUBCHEM_IUPAC_OPENEYE_NAME,14177,bmse000676,1
nitrobenzene,PUBCHEM_IUPAC_CAS_NAME,14177,bmse000676,1
nitrobenzene,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14177,bmse000676,1
2-hydroxybenzaldehyde,PUBCHEM_IUPAC_NAME,14198,bmse000677,1
2-hydroxybenzaldehyde,PUBCHEM_IUPAC_TRADITIONAL_NAME,14198,bmse000677,1
2-hydroxybenzaldehyde,PUBCHEM_IUPAC_OPENEYE_NAME,14198,bmse000677,1
2-hydroxybenzaldehyde,PUBCHEM_IUPAC_CAS_NAME,14198,bmse000677,1
2-hydroxybenzaldehyde,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14198,bmse000677,1
"2,4,6-trichlorophenol",PUBCHEM_IUPAC_CAS_NAME,14219,bmse000678,1
"2,4,6-trichlorophenol",PUBCHEM_IUPAC_NAME,14219,bmse000678,1
"2,4,6-trichlorophenol",PUBCHEM_IUPAC_OPENEYE_NAME,14219,bmse000678,1
"2,4,6-trichlorophenol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,14219,bmse000678,1
"2,4,6-trichlorophenol",PUBCHEM_IUPAC_TRADITIONAL_NAME,14219,bmse000678,1
naphthalene-2-carbaldehyde,PUBCHEM_IUPAC_NAME,14240,bmse000679,1
naphthalene-2-carbaldehyde,PUBCHEM_IUPAC_TRADITIONAL_NAME,14240,bmse000679,1
naphthalene-2-carbaldehyde,PUBCHEM_IUPAC_OPENEYE_NAME,14240,bmse000679,1
2-naphthalenecarboxaldehyde,PUBCHEM_IUPAC_CAS_NAME,14240,bmse000679,1
naphthalene-2-carbaldehyde,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14240,bmse000679,1
"3-(3,4-dihydroxyphenyl)propanoic acid",PUBCHEM_IUPAC_CAS_NAME,14261,bmse000680,1
"3-(3,4-dihydroxyphenyl)propanoic acid",PUBCHEM_IUPAC_NAME,14261,bmse000680,1
"3-(3,4-dihydroxyphenyl)propanoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,14261,bmse000680,1
"3-(3,4-dihydroxyphenyl)propanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,14261,bmse000680,1
"3-(3,4-dihydroxyphenyl)propionic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,14261,bmse000680,1
4-ethylphenol,PUBCHEM_IUPAC_NAME,14283,bmse000681,1
4-ethylphenol,PUBCHEM_IUPAC_TRADITIONAL_NAME,14283,bmse000681,1
4-ethylphenol,PUBCHEM_IUPAC_OPENEYE_NAME,14283,bmse000681,1
4-ethylphenol,PUBCHEM_IUPAC_CAS_NAME,14283,bmse000681,1
4-ethylphenol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14283,bmse000681,1
"2-(3,4-dimethoxyphenyl)acetic acid",PUBCHEM_IUPAC_NAME,14305,bmse000682,1
homoveratric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,14305,bmse000682,1
"2-(3,4-dimethoxyphenyl)acetic acid",PUBCHEM_IUPAC_OPENEYE_NAME,14305,bmse000682,1
"2-(3,4-dimethoxyphenyl)acetic acid",PUBCHEM_IUPAC_CAS_NAME,14305,bmse000682,1
"2-(3,4-dimethoxyphenyl)ethanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,14305,bmse000682,1
naphthalen-2-ylmethanol,PUBCHEM_IUPAC_NAME,14326,bmse000683,1
2-naphthylmethanol,PUBCHEM_IUPAC_TRADITIONAL_NAME,14326,bmse000683,1
2-naphthylmethanol,PUBCHEM_IUPAC_OPENEYE_NAME,14326,bmse000683,1
2-naphthalenylmethanol,PUBCHEM_IUPAC_CAS_NAME,14326,bmse000683,1
naphthalen-2-ylmethanol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14326,bmse000683,1
"2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid",PUBCHEM_IUPAC_CAS_NAME,14348,bmse000684,1
"2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid",PUBCHEM_IUPAC_NAME,14348,bmse000684,1
"2-(3,4-dihydroxyphenyl)-2-hydroxy-acetic acid",PUBCHEM_IUPAC_OPENEYE_NAME,14348,bmse000684,1
"2-(3,4-dihydroxyphenyl)-2-hydroxy-ethanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,14348,bmse000684,1
"2-(3,4-dihydroxyphenyl)-2-hydroxy-acetic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,14348,bmse000684,1
3-(1H-indol-3-yl)-2-oxopropanoic acid,PUBCHEM_IUPAC_NAME,14369,bmse000685,1
3-(1H-indol-3-yl)-2-keto-propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,14369,bmse000685,1
3-(1H-indol-3-yl)-2-oxo-propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,14369,bmse000685,1
3-(1H-indol-3-yl)-2-oxopropanoic acid,PUBCHEM_IUPAC_CAS_NAME,14369,bmse000685,1
3-(1H-indol-3-yl)-2-oxo-propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14369,bmse000685,1
"(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_NAME,14389,bmse000686,1
"(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,14389,bmse000686,1
"(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,14389,bmse000686,1
"(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_CAS_NAME,14389,bmse000686,1
"(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,14389,bmse000686,1
(2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoic acid,PUBCHEM_IUPAC_NAME,14410,bmse000687,1
(2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,14410,bmse000687,1
(2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,14410,bmse000687,1
(2S)-2-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]propanoic acid,PUBCHEM_IUPAC_CAS_NAME,14410,bmse000687,1
(2S)-2-[2-(1H-indol-3-yl)ethanoylamino]propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14410,bmse000687,1
"1,4-dihydroxy-2-naphthalenecarboxylic acid",PUBCHEM_IUPAC_CAS_NAME,14431,bmse000688,1
"1,4-dihydroxynaphthalene-2-carboxylic acid",PUBCHEM_IUPAC_NAME,14431,bmse000688,1
"1,4-dihydroxynaphthalene-2-carboxylic acid",PUBCHEM_IUPAC_OPENEYE_NAME,14431,bmse000688,1
"1,4-dihydroxynaphthalene-2-carboxylic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,14431,bmse000688,1
"1,4-dihydroxy-2-naphthoic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,14431,bmse000688,1
1-hydroxynaphthalene-2-carboxylic acid,PUBCHEM_IUPAC_NAME,14451,bmse000689,1
1-hydroxy-2-naphthoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,14451,bmse000689,1
1-hydroxynaphthalene-2-carboxylic acid,PUBCHEM_IUPAC_OPENEYE_NAME,14451,bmse000689,1
1-hydroxy-2-naphthalenecarboxylic acid,PUBCHEM_IUPAC_CAS_NAME,14451,bmse000689,1
1-hydroxynaphthalene-2-carboxylic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14451,bmse000689,1
naphthalen-1-ylmethanol,PUBCHEM_IUPAC_NAME,14472,bmse000690,1
1-naphthylmethanol,PUBCHEM_IUPAC_TRADITIONAL_NAME,14472,bmse000690,1
1-naphthylmethanol,PUBCHEM_IUPAC_OPENEYE_NAME,14472,bmse000690,1
1-naphthalenylmethanol,PUBCHEM_IUPAC_CAS_NAME,14472,bmse000690,1
naphthalen-1-ylmethanol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14472,bmse000690,1
"2,4-dichlorophenol",PUBCHEM_IUPAC_CAS_NAME,14492,bmse000691,1
"2,4-dichlorophenol",PUBCHEM_IUPAC_NAME,14492,bmse000691,1
"2,4-dichlorophenol",PUBCHEM_IUPAC_OPENEYE_NAME,14492,bmse000691,1
"2,4-dichlorophenol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,14492,bmse000691,1
"2,4-dichlorophenol",PUBCHEM_IUPAC_TRADITIONAL_NAME,14492,bmse000691,1
2-amino-3-methoxybenzoic acid,PUBCHEM_IUPAC_NAME,14512,bmse000692,1
2-amino-3-methoxy-benzoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,14512,bmse000692,1
2-amino-3-methoxy-benzoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,14512,bmse000692,1
2-amino-3-methoxybenzoic acid,PUBCHEM_IUPAC_CAS_NAME,14512,bmse000692,1
2-azanyl-3-methoxy-benzoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14512,bmse000692,1
naphthalene-2-carboxylic acid,PUBCHEM_IUPAC_NAME,14532,bmse000693,1
2-naphthoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,14532,bmse000693,1
naphthalene-2-carboxylic acid,PUBCHEM_IUPAC_OPENEYE_NAME,14532,bmse000693,1
2-naphthalenecarboxylic acid,PUBCHEM_IUPAC_CAS_NAME,14532,bmse000693,1
naphthalene-2-carboxylic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14532,bmse000693,1
2-(5-methoxy-1H-indol-3-yl)acetic acid,PUBCHEM_IUPAC_NAME,14552,bmse000694,1
2-(5-methoxy-1H-indol-3-yl)acetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,14552,bmse000694,1
2-(5-methoxy-1H-indol-3-yl)acetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,14552,bmse000694,1
2-(5-methoxy-1H-indol-3-yl)acetic acid,PUBCHEM_IUPAC_CAS_NAME,14552,bmse000694,1
2-(5-methoxy-1H-indol-3-yl)ethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14552,bmse000694,1
2-benzylbutanedioic acid,PUBCHEM_IUPAC_NAME,14573,bmse000695,1
2-benzylsuccinic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,14573,bmse000695,1
2-benzylbutanedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,14573,bmse000695,1
2-benzylbutanedioic acid,PUBCHEM_IUPAC_CAS_NAME,14573,bmse000695,1
2-(phenylmethyl)butanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14573,bmse000695,1
2-(1H-indol-3-yl)acetamide,PUBCHEM_IUPAC_NAME,14595,bmse000696,1
2-(1H-indol-3-yl)acetamide,PUBCHEM_IUPAC_TRADITIONAL_NAME,14595,bmse000696,1
2-(1H-indol-3-yl)acetamide,PUBCHEM_IUPAC_OPENEYE_NAME,14595,bmse000696,1
2-(1H-indol-3-yl)acetamide,PUBCHEM_IUPAC_CAS_NAME,14595,bmse000696,1
2-(1H-indol-3-yl)ethanamide,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14595,bmse000696,1
"2,3,4,5,6-pentachlorophenol",PUBCHEM_IUPAC_NAME,14616,bmse000697,1
"2,3,4,5,6-pentachlorophenol",PUBCHEM_IUPAC_TRADITIONAL_NAME,14616,bmse000697,1
"2,3,4,5,6-pentachlorophenol",PUBCHEM_IUPAC_OPENEYE_NAME,14616,bmse000697,1
"2,3,4,5,6-pentachlorophenol",PUBCHEM_IUPAC_CAS_NAME,14616,bmse000697,1
"2,3,4,5,6-pentachlorophenol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,14616,bmse000697,1
(4S)-4-prop-1-en-2-ylcyclohexene-1-carboxylic acid,PUBCHEM_IUPAC_NAME,14633,bmse000698,1
(4S)-4-isopropenylcyclohexene-1-carboxylic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,14633,bmse000698,1
(4S)-4-isopropenylcyclohexene-1-carboxylic acid,PUBCHEM_IUPAC_OPENEYE_NAME,14633,bmse000698,1
(4S)-4-isopropenyl-1-cyclohexenecarboxylic acid,PUBCHEM_IUPAC_CAS_NAME,14633,bmse000698,1
(4S)-4-prop-1-en-2-ylcyclohexene-1-carboxylic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14633,bmse000698,1
"2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate",PUBCHEM_IUPAC_NAME,14655,bmse000699,1
2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate,PUBCHEM_IUPAC_TRADITIONAL_NAME,14655,bmse000699,1
2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate,PUBCHEM_IUPAC_OPENEYE_NAME,14655,bmse000699,1
2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethyl dihydrogen phosphate,PUBCHEM_IUPAC_CAS_NAME,14655,bmse000699,1
"2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate",PUBCHEM_IUPAC_SYSTEMATIC_NAME,14655,bmse000699,1
16-hydroxyhexadecanoic acid,PUBCHEM_IUPAC_NAME,14677,bmse000700,1
16-hydroxypalmitic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,14677,bmse000700,1
16-hydroxyhexadecanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,14677,bmse000700,1
16-hydroxyhexadecanoic acid,PUBCHEM_IUPAC_CAS_NAME,14677,bmse000700,1
16-hydroxyhexadecanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14677,bmse000700,1
4-phenylbutanoic acid,PUBCHEM_IUPAC_NAME,14697,bmse000701,1
4-phenylbutyric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,14697,bmse000701,1
4-phenylbutanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,14697,bmse000701,1
4-phenylbutanoic acid,PUBCHEM_IUPAC_CAS_NAME,14697,bmse000701,1
4-phenylbutanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14697,bmse000701,1
"4-[(10R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_NAME,14719,bmse000702,1
"4-[(10R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,14719,bmse000702,1
"4-[(10R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,14719,bmse000702,1
"4-[(10R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_CAS_NAME,14719,bmse000702,1
"4-[(10R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,14719,bmse000702,1
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid,PUBCHEM_IUPAC_NAME,14740,bmse000703,1
2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)acetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,14740,bmse000703,1
2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)acetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,14740,bmse000703,1
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid,PUBCHEM_IUPAC_CAS_NAME,14740,bmse000703,1
2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)ethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14740,bmse000703,1
"(E)-1,3-diphenylprop-2-en-1-one",PUBCHEM_IUPAC_NAME,14761,bmse000704,1
"(E)-1,3-diphenylprop-2-en-1-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,14761,bmse000704,1
"(E)-1,3-diphenylprop-2-en-1-one",PUBCHEM_IUPAC_OPENEYE_NAME,14761,bmse000704,1
"(E)-1,3-diphenyl-2-propen-1-one",PUBCHEM_IUPAC_CAS_NAME,14761,bmse000704,1
"(E)-1,3-diphenylprop-2-en-1-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,14761,bmse000704,1
"(Z)-prop-1-ene-1,2,3-tricarboxylic acid",PUBCHEM_IUPAC_NAME,14782,bmse000705,1
"(Z)-prop-1-ene-1,2,3-tricarboxylic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,14782,bmse000705,1
"(Z)-prop-1-ene-1,2,3-tricarboxylic acid",PUBCHEM_IUPAC_OPENEYE_NAME,14782,bmse000705,1
"(Z)-1-propene-1,2,3-tricarboxylic acid",PUBCHEM_IUPAC_CAS_NAME,14782,bmse000705,1
"(Z)-prop-1-ene-1,2,3-tricarboxylic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,14782,bmse000705,1
(2R)-2-amino-3-sulfinopropanoic acid,PUBCHEM_IUPAC_NAME,14803,bmse000706,1
(2R)-2-amino-3-sulfino-propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,14803,bmse000706,1
(2R)-2-amino-3-sulfino-propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,14803,bmse000706,1
(2R)-2-amino-3-sulfinopropanoic acid,PUBCHEM_IUPAC_CAS_NAME,14803,bmse000706,1
(2R)-2-azanyl-3-sulfino-propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14803,bmse000706,1
2-acetamido-3-(1H-imidazol-5-yl)propanoic acid,PUBCHEM_IUPAC_NAME,14824,bmse000707,1
2-acetamido-3-(1H-imidazol-5-yl)propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,14824,bmse000707,1
2-acetamido-3-(1H-imidazol-5-yl)propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,14824,bmse000707,1
2-acetamido-3-(1H-imidazol-5-yl)propanoic acid,PUBCHEM_IUPAC_CAS_NAME,14824,bmse000707,1
2-acetamido-3-(1H-imidazol-5-yl)propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14824,bmse000707,1
2-(pyridine-3-carbonylamino)acetic acid,PUBCHEM_IUPAC_NAME,14845,bmse000708,1
nicotinuric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,14845,bmse000708,1
2-(pyridine-3-carbonylamino)acetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,14845,bmse000708,1
2-[[oxo(3-pyridyl)methyl]amino]acetic acid,PUBCHEM_IUPAC_CAS_NAME,14845,bmse000708,1
2-(pyridin-3-ylcarbonylamino)ethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14845,bmse000708,1
"N,N-dimethylformamide",PUBCHEM_IUPAC_CAS_NAME,14866,bmse000709,1
"N,N-dimethylformamide",PUBCHEM_IUPAC_NAME,14866,bmse000709,1
"N,N-dimethylformamide",PUBCHEM_IUPAC_OPENEYE_NAME,14866,bmse000709,1
"N,N-dimethylmethanamide",PUBCHEM_IUPAC_SYSTEMATIC_NAME,14866,bmse000709,1
"N,N-dimethylformamide",PUBCHEM_IUPAC_TRADITIONAL_NAME,14866,bmse000709,1
3-acetyloxy-2-aminopropanoic acid hydrochloride,PUBCHEM_IUPAC_NAME,14884,bmse000710,1
3-acetoxy-2-amino-propionic acid hydrochloride,PUBCHEM_IUPAC_TRADITIONAL_NAME,14884,bmse000710,1
3-acetoxy-2-amino-propanoic acid hydrochloride,PUBCHEM_IUPAC_OPENEYE_NAME,14884,bmse000710,1
3-acetoxy-2-aminopropanoic acid hydrochloride,PUBCHEM_IUPAC_CAS_NAME,14884,bmse000710,1
3-acetyloxy-2-azanyl-propanoic acid hydrochloride,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14884,bmse000710,1
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid,PUBCHEM_IUPAC_NAME,14898,bmse000711,1
(2S)-2-amino-5-guanidino-pentanoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,14898,bmse000711,1
(2S)-2-amino-5-guanidino-pentanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,14898,bmse000711,1
(2S)-2-amino-5-guanidino-pentanoic acid,PUBCHEM_IUPAC_CAS_NAME,14898,bmse000711,1
"4-amino-1-[(2R,5S)-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone",PUBCHEM_IUPAC_CAS_NAME,14918,bmse000712,1
"4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",PUBCHEM_IUPAC_NAME,14918,bmse000712,1
"4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one",PUBCHEM_IUPAC_OPENEYE_NAME,14918,bmse000712,1
"4-azanyl-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,14918,bmse000712,1
"4-amino-1-[(2R,5S)-5-methyloltetrahydrofuran-2-yl]pyrimidin-2-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,14918,bmse000712,1
2-amino-3-phosphonopropanoic acid,PUBCHEM_IUPAC_NAME,14938,bmse000713,1
2-amino-3-phosphono-propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,14938,bmse000713,1
2-amino-3-phosphono-propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,14938,bmse000713,1
2-amino-3-phosphonopropanoic acid,PUBCHEM_IUPAC_CAS_NAME,14938,bmse000713,1
2-azanyl-3-phosphono-propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14938,bmse000713,1
2-ethylpiperidine,PUBCHEM_IUPAC_NAME,14958,bmse000714,1
2-ethylpiperidine,PUBCHEM_IUPAC_TRADITIONAL_NAME,14958,bmse000714,1
2-ethylpiperidine,PUBCHEM_IUPAC_OPENEYE_NAME,14958,bmse000714,1
2-ethylpiperidine,PUBCHEM_IUPAC_CAS_NAME,14958,bmse000714,1
2-ethylpiperidine,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14958,bmse000714,1
2-(2-hydroxyphenyl)acetic acid,PUBCHEM_IUPAC_NAME,14978,bmse000715,1
2-(2-hydroxyphenyl)acetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,14978,bmse000715,1
2-(2-hydroxyphenyl)acetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,14978,bmse000715,1
2-(2-hydroxyphenyl)acetic acid,PUBCHEM_IUPAC_CAS_NAME,14978,bmse000715,1
2-(2-hydroxyphenyl)ethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14978,bmse000715,1
8-anilinonaphthalene-1-sulfonic acid,PUBCHEM_IUPAC_NAME,14998,bmse000716,1
8-anilinonaphthalene-1-sulfonic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,14998,bmse000716,1
8-anilinonaphthalene-1-sulfonic acid,PUBCHEM_IUPAC_OPENEYE_NAME,14998,bmse000716,1
8-anilino-1-naphthalenesulfonic acid,PUBCHEM_IUPAC_CAS_NAME,14998,bmse000716,1
8-phenylazanylnaphthalene-1-sulfonic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,14998,bmse000716,1
hexadecyl(trimethyl)azanium,PUBCHEM_IUPAC_NAME,15017,bmse000717,1
cetyl(trimethyl)ammonium,PUBCHEM_IUPAC_TRADITIONAL_NAME,15017,bmse000717,1
hexadecyl(trimethyl)ammonium,PUBCHEM_IUPAC_OPENEYE_NAME,15017,bmse000717,1
hexadecyl(trimethyl)ammonium,PUBCHEM_IUPAC_CAS_NAME,15017,bmse000717,1
hexadecyl(trimethyl)azanium,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15017,bmse000717,1
"(Z)-1,3-dichloro-1-propene",PUBCHEM_IUPAC_CAS_NAME,15035,bmse000718,1
"(Z)-1,3-dichloroprop-1-ene",PUBCHEM_IUPAC_NAME,15035,bmse000718,1
"(Z)-1,3-dichloroprop-1-ene",PUBCHEM_IUPAC_OPENEYE_NAME,15035,bmse000718,1
"(Z)-1,3-dichloroprop-1-ene",PUBCHEM_IUPAC_SYSTEMATIC_NAME,15035,bmse000718,1
"(Z)-1,3-dichloroprop-1-ene",PUBCHEM_IUPAC_TRADITIONAL_NAME,15035,bmse000718,1
trimethyl-[10-(trimethylazaniumyl)decyl]azanium,PUBCHEM_IUPAC_NAME,15055,bmse000719,1
trimethyl-[10-(trimethylammonio)decyl]ammonium,PUBCHEM_IUPAC_TRADITIONAL_NAME,15055,bmse000719,1
trimethyl-[10-(trimethylammonio)decyl]ammonium,PUBCHEM_IUPAC_OPENEYE_NAME,15055,bmse000719,1
trimethyl-[10-(trimethylammonio)decyl]ammonium,PUBCHEM_IUPAC_CAS_NAME,15055,bmse000719,1
trimethyl-[10-(trimethylazaniumyl)decyl]azanium,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15055,bmse000719,1
"1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid",PUBCHEM_IUPAC_NAME,15074,bmse000720,1
"1,4-bis(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,15074,bmse000720,1
"1,4-bis(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonic acid",PUBCHEM_IUPAC_OPENEYE_NAME,15074,bmse000720,1
"1,4-bis(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonic acid",PUBCHEM_IUPAC_CAS_NAME,15074,bmse000720,1
"1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,15074,bmse000720,1
"2,2-diphenylacetic acid",PUBCHEM_IUPAC_NAME,15095,bmse000721,1
"2,2-diphenylacetic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,15095,bmse000721,1
"2,2-diphenylacetic acid",PUBCHEM_IUPAC_OPENEYE_NAME,15095,bmse000721,1
"2,2-diphenylacetic acid",PUBCHEM_IUPAC_CAS_NAME,15095,bmse000721,1
"2,2-diphenylethanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,15095,bmse000721,1
2-(chloromethyl)oxirane,PUBCHEM_IUPAC_NAME,15116,bmse000722,1
2-(chloromethyl)oxirane,PUBCHEM_IUPAC_TRADITIONAL_NAME,15116,bmse000722,1
2-(chloromethyl)oxirane,PUBCHEM_IUPAC_OPENEYE_NAME,15116,bmse000722,1
2-(chloromethyl)oxirane,PUBCHEM_IUPAC_CAS_NAME,15116,bmse000722,1
2-(chloromethyl)oxirane,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15116,bmse000722,1
methyl 2-(furan-2-carbonylamino)acetate,PUBCHEM_IUPAC_NAME,15137,bmse000723,1
2-(2-furoylamino)acetic acid methyl ester,PUBCHEM_IUPAC_TRADITIONAL_NAME,15137,bmse000723,1
methyl 2-(furan-2-carbonylamino)acetate,PUBCHEM_IUPAC_OPENEYE_NAME,15137,bmse000723,1
2-[[2-furyl(oxo)methyl]amino]acetic acid methyl ester,PUBCHEM_IUPAC_CAS_NAME,15137,bmse000723,1
methyl 2-(furan-2-ylcarbonylamino)ethanoate,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15137,bmse000723,1
2-fluoroaniline,PUBCHEM_IUPAC_NAME,15158,bmse000724,1
(2-fluorophenyl)amine,PUBCHEM_IUPAC_TRADITIONAL_NAME,15158,bmse000724,1
2-fluoroaniline,PUBCHEM_IUPAC_OPENEYE_NAME,15158,bmse000724,1
2-fluoroaniline,PUBCHEM_IUPAC_CAS_NAME,15158,bmse000724,1
2-fluoroaniline,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15158,bmse000724,1
butan-2-ylbenzene,PUBCHEM_IUPAC_NAME,15179,bmse000725,1
sec-butylbenzene,PUBCHEM_IUPAC_TRADITIONAL_NAME,15179,bmse000725,1
sec-butylbenzene,PUBCHEM_IUPAC_OPENEYE_NAME,15179,bmse000725,1
sec-butylbenzene,PUBCHEM_IUPAC_CAS_NAME,15179,bmse000725,1
butan-2-ylbenzene,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15179,bmse000725,1
4-aminobenzenesulfonic acid,PUBCHEM_IUPAC_NAME,15200,bmse000726,1
4-aminobesylic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,15200,bmse000726,1
4-aminobenzenesulfonic acid,PUBCHEM_IUPAC_OPENEYE_NAME,15200,bmse000726,1
4-aminobenzenesulfonic acid,PUBCHEM_IUPAC_CAS_NAME,15200,bmse000726,1
4-azanylbenzenesulfonic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15200,bmse000726,1
(E)-2-methyl-2-butenoic acid,PUBCHEM_IUPAC_CAS_NAME,15221,bmse000727,1
(E)-2-methylbut-2-enoic acid,PUBCHEM_IUPAC_NAME,15221,bmse000727,1
(E)-2-methylbut-2-enoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,15221,bmse000727,1
(E)-2-methylbut-2-enoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15221,bmse000727,1
(E)-2-methylbut-2-enoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,15221,bmse000727,1
1-aminocyclohexane-1-carboxylic acid,PUBCHEM_IUPAC_NAME,15242,bmse000728,1
1-aminocyclohexanecarboxylic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,15242,bmse000728,1
1-aminocyclohexanecarboxylic acid,PUBCHEM_IUPAC_OPENEYE_NAME,15242,bmse000728,1
1-aminocyclohexanecarboxylic acid,PUBCHEM_IUPAC_CAS_NAME,15242,bmse000728,1
1-azanylcyclohexane-1-carboxylic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15242,bmse000728,1
"(2,3-difluorophenyl)methanol",PUBCHEM_IUPAC_CAS_NAME,15262,bmse000729,1
"(2,3-difluorophenyl)methanol",PUBCHEM_IUPAC_NAME,15262,bmse000729,1
"(2,3-difluorophenyl)methanol",PUBCHEM_IUPAC_OPENEYE_NAME,15262,bmse000729,1
"(2,3-difluorophenyl)methanol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,15262,bmse000729,1
"(2,3-difluorophenyl)methanol",PUBCHEM_IUPAC_TRADITIONAL_NAME,15262,bmse000729,1
"2,2-dimethylbutanedioic acid",PUBCHEM_IUPAC_CAS_NAME,15283,bmse000730,1
"2,2-dimethylbutanedioic acid",PUBCHEM_IUPAC_NAME,15283,bmse000730,1
"2,2-dimethylbutanedioic acid",PUBCHEM_IUPAC_OPENEYE_NAME,15283,bmse000730,1
"2,2-dimethylbutanedioic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,15283,bmse000730,1
"2,2-dimethylsuccinic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,15283,bmse000730,1
"1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione",PUBCHEM_IUPAC_NAME,15303,bmse000731,1
"1-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)pyridine-2,4-quinone",PUBCHEM_IUPAC_TRADITIONAL_NAME,15303,bmse000731,1
"1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyridine-2,4-dione",PUBCHEM_IUPAC_OPENEYE_NAME,15303,bmse000731,1
"1-[3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyridine-2,4-dione",PUBCHEM_IUPAC_CAS_NAME,15303,bmse000731,1
"1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione",PUBCHEM_IUPAC_SYSTEMATIC_NAME,15303,bmse000731,1
6-ethylsulfanyl-7H-purine,PUBCHEM_IUPAC_NAME,15324,bmse000732,1
6-(ethylthio)-7H-purine,PUBCHEM_IUPAC_TRADITIONAL_NAME,15324,bmse000732,1
6-ethylsulfanyl-7H-purine,PUBCHEM_IUPAC_OPENEYE_NAME,15324,bmse000732,1
6-(ethylthio)-7H-purine,PUBCHEM_IUPAC_CAS_NAME,15324,bmse000732,1
6-ethylsulfanyl-7H-purine,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15324,bmse000732,1
"(4R)-4-[(3R,5R,9R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_NAME,15346,bmse000733,1
"(4R)-4-[(3R,5R,9R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,15346,bmse000733,1
"(4R)-4-[(3R,5R,9R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,15346,bmse000733,1
"(4R)-4-[(3R,5R,9R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_CAS_NAME,15346,bmse000733,1
"(4R)-4-[(3R,5R,9R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,15346,bmse000733,1
"bis(2-butoxyethyl) benzene-1,2-dicarboxylate",PUBCHEM_IUPAC_NAME,15367,bmse000734,1
2-(4-aminobutyl)guanidine,IUPAC_OPENEYE,16690,bmse000812,1
"benzene-1,2-dicarboxylic acid bis(2-butoxyethyl) ester",PUBCHEM_IUPAC_TRADITIONAL_NAME,15367,bmse000734,1
"bis(2-butoxyethyl) benzene-1,2-dicarboxylate",PUBCHEM_IUPAC_OPENEYE_NAME,15367,bmse000734,1
"benzene-1,2-dicarboxylic acid bis(2-butoxyethyl) ester",PUBCHEM_IUPAC_CAS_NAME,15367,bmse000734,1
"bis(2-butoxyethyl) benzene-1,2-dicarboxylate",PUBCHEM_IUPAC_SYSTEMATIC_NAME,15367,bmse000734,1
"3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",PUBCHEM_IUPAC_NAME,15388,bmse000735,1
"3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,15388,bmse000735,1
"3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",PUBCHEM_IUPAC_OPENEYE_NAME,15388,bmse000735,1
"3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",PUBCHEM_IUPAC_CAS_NAME,15388,bmse000735,1
"3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-10,13-dimethyl-3,12,14-tris(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,15388,bmse000735,1
(3-methylphenyl) acetate,PUBCHEM_IUPAC_NAME,15410,bmse000736,1
acetic acid m-tolyl ester,PUBCHEM_IUPAC_TRADITIONAL_NAME,15410,bmse000736,1
m-tolyl acetate,PUBCHEM_IUPAC_OPENEYE_NAME,15410,bmse000736,1
acetic acid m-tolyl ester,PUBCHEM_IUPAC_CAS_NAME,15410,bmse000736,1
(3-methylphenyl) ethanoate,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15410,bmse000736,1
tetradecanoic acid,PUBCHEM_IUPAC_NAME,15424,bmse000737,1
myristic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,15424,bmse000737,1
tetradecanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,15424,bmse000737,1
tetradecanoic acid,PUBCHEM_IUPAC_CAS_NAME,15424,bmse000737,1
tetradecanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15424,bmse000737,1
methylurea,PUBCHEM_IUPAC_NAME,15444,bmse000738,1
methylurea,PUBCHEM_IUPAC_TRADITIONAL_NAME,15444,bmse000738,1
methylurea,PUBCHEM_IUPAC_OPENEYE_NAME,15444,bmse000738,1
methylurea,PUBCHEM_IUPAC_CAS_NAME,15444,bmse000738,1
1-methylurea,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15444,bmse000738,1
4-fluorobenzoic acid,PUBCHEM_IUPAC_NAME,15463,bmse000739,1
4-fluorobenzoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,15463,bmse000739,1
4-fluorobenzoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,15463,bmse000739,1
4-fluorobenzoic acid,PUBCHEM_IUPAC_CAS_NAME,15463,bmse000739,1
4-fluorobenzoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15463,bmse000739,1
"(1S,2R,4S,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol",PUBCHEM_IUPAC_NAME,15483,bmse000740,1
"(1S,2R,4S,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol",PUBCHEM_IUPAC_TRADITIONAL_NAME,15483,bmse000740,1
"(1S,2R,4S,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol",PUBCHEM_IUPAC_OPENEYE_NAME,15483,bmse000740,1
"(1S,2R,4S,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol",PUBCHEM_IUPAC_CAS_NAME,15483,bmse000740,1
"(1S,2R,4S,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,15483,bmse000740,1
(2S)-2-(methylamino)butanedioic acid,PUBCHEM_IUPAC_NAME,15505,bmse000741,1
(2S)-2-(methylamino)succinic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,15505,bmse000741,1
(2S)-2-(methylamino)butanedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,15505,bmse000741,1
(2S)-2-(methylamino)butanedioic acid,PUBCHEM_IUPAC_CAS_NAME,15505,bmse000741,1
(2S)-2-(methylamino)butanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15505,bmse000741,1
2-phenoxyacetic acid,PUBCHEM_IUPAC_NAME,15526,bmse000742,1
2-phenoxyacetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,15526,bmse000742,1
2-phenoxyacetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,15526,bmse000742,1
2-phenoxyacetic acid,PUBCHEM_IUPAC_CAS_NAME,15526,bmse000742,1
2-phenoxyethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15526,bmse000742,1
2-oxo-2-phenylacetic acid,PUBCHEM_IUPAC_NAME,15547,bmse000743,1
2-keto-2-phenyl-acetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,15547,bmse000743,1
2-oxo-2-phenyl-acetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,15547,bmse000743,1
2-oxo-2-phenylacetic acid,PUBCHEM_IUPAC_CAS_NAME,15547,bmse000743,1
2-oxo-2-phenyl-ethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15547,bmse000743,1
2-(1H-imidazol-5-yl)ethanamine,PUBCHEM_IUPAC_NAME,15569,bmse000744,1
2-(1H-imidazol-5-yl)ethylamine,PUBCHEM_IUPAC_TRADITIONAL_NAME,15569,bmse000744,1
2-(1H-imidazol-5-yl)ethanamine,PUBCHEM_IUPAC_OPENEYE_NAME,15569,bmse000744,1
2-(1H-imidazol-5-yl)ethanamine,PUBCHEM_IUPAC_CAS_NAME,15569,bmse000744,1
2-(1H-imidazol-5-yl)ethanamine,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15569,bmse000744,1
(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid,PUBCHEM_IUPAC_NAME,15589,bmse000745,1
(2S)-2-amino-6-guanidino-hexanoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,15589,bmse000745,1
(2S)-2-amino-6-guanidino-hexanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,15589,bmse000745,1
(2S)-2-amino-6-guanidinohexanoic acid,PUBCHEM_IUPAC_CAS_NAME,15589,bmse000745,1
(2S)-2-azanyl-6-[bis(azanyl)methylideneamino]hexanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15589,bmse000745,1
(E)-2-methylbut-2-enedioic acid,PUBCHEM_IUPAC_NAME,15609,bmse000746,1
mesaconic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,15609,bmse000746,1
(E)-2-methylbut-2-enedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,15609,bmse000746,1
(E)-2-methyl-2-butenedioic acid,PUBCHEM_IUPAC_CAS_NAME,15609,bmse000746,1
(E)-2-methylbut-2-enedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15609,bmse000746,1
"3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide",PUBCHEM_IUPAC_NAME,15627,bmse000747,1
"3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]benzamide",PUBCHEM_IUPAC_TRADITIONAL_NAME,15627,bmse000747,1
(2S)-2-amino-6-guanidino-hexanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,15878,bmse000760,1
"3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]benzamide",PUBCHEM_IUPAC_OPENEYE_NAME,15627,bmse000747,1
"3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]benzamide",PUBCHEM_IUPAC_CAS_NAME,15627,bmse000747,1
"3-acetamido-5-[ethanoyl(methyl)amino]-2,4,6-triiodo-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide",PUBCHEM_IUPAC_SYSTEMATIC_NAME,15627,bmse000747,1
"imidazolidine-2,4,5-trione",PUBCHEM_IUPAC_NAME,15641,bmse000748,1
parabanic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,15641,bmse000748,1
"imidazolidine-2,4,5-trione",PUBCHEM_IUPAC_OPENEYE_NAME,15641,bmse000748,1
"imidazolidine-2,4,5-trione",PUBCHEM_IUPAC_CAS_NAME,15641,bmse000748,1
"imidazolidine-2,4,5-trione",PUBCHEM_IUPAC_SYSTEMATIC_NAME,15641,bmse000748,1
"2-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone",PUBCHEM_IUPAC_NAME,15657,bmse000749,1
"2-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone",PUBCHEM_IUPAC_TRADITIONAL_NAME,15657,bmse000749,1
"2-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone",PUBCHEM_IUPAC_OPENEYE_NAME,15657,bmse000749,1
"2-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone",PUBCHEM_IUPAC_CAS_NAME,15657,bmse000749,1
"1-(10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxidanyl-ethanone",PUBCHEM_IUPAC_SYSTEMATIC_NAME,15657,bmse000749,1
2-hydroxyethyl 2-hydroxybenzoate,PUBCHEM_IUPAC_NAME,15677,bmse000750,1
2-hydroxybenzoic acid 2-hydroxyethyl ester,PUBCHEM_IUPAC_TRADITIONAL_NAME,15677,bmse000750,1
2-hydroxyethyl 2-hydroxybenzoate,PUBCHEM_IUPAC_OPENEYE_NAME,15677,bmse000750,1
2-hydroxybenzoic acid 2-hydroxyethyl ester,PUBCHEM_IUPAC_CAS_NAME,15677,bmse000750,1
2-hydroxyethyl 2-oxidanylbenzoate,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15677,bmse000750,1
"4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one",PUBCHEM_IUPAC_NAME,15697,bmse000751,1
"4,9-dimethoxy-7-methyl-furo[3,2-g]chromen-5-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,15697,bmse000751,1
"4,9-dimethoxy-7-methyl-furo[3,2-g]chromen-5-one",PUBCHEM_IUPAC_OPENEYE_NAME,15697,bmse000751,1
"4,9-dimethoxy-7-methyl-5-furo[3,2-g][1]benzopyranone",PUBCHEM_IUPAC_CAS_NAME,15697,bmse000751,1
"4,9-dimethoxy-7-methyl-furo[3,2-g]chromen-5-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,15697,bmse000751,1
phenylmethanesulfonyl fluoride,PUBCHEM_IUPAC_NAME,15718,bmse000752,1
phenylmethanesulfonyl fluoride,PUBCHEM_IUPAC_TRADITIONAL_NAME,15718,bmse000752,1
phenylmethanesulfonyl fluoride,PUBCHEM_IUPAC_OPENEYE_NAME,15718,bmse000752,1
phenylmethanesulfonyl fluoride,PUBCHEM_IUPAC_CAS_NAME,15718,bmse000752,1
phenylmethanesulfonyl fluoride,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15718,bmse000752,1
2-dodecoxyethanol,PUBCHEM_IUPAC_NAME,15738,bmse000753,1
2-lauryloxyethanol,PUBCHEM_IUPAC_TRADITIONAL_NAME,15738,bmse000753,1
2-dodecoxyethanol,PUBCHEM_IUPAC_OPENEYE_NAME,15738,bmse000753,1
2-dodecoxyethanol,PUBCHEM_IUPAC_CAS_NAME,15738,bmse000753,1
2-dodecoxyethanol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15738,bmse000753,1
"7-methoxy-2,2-dimethylchromene",PUBCHEM_IUPAC_NAME,15756,bmse000754,1
"7-methoxy-2,2-dimethyl-chromene",PUBCHEM_IUPAC_TRADITIONAL_NAME,15756,bmse000754,1
"7-methoxy-2,2-dimethyl-1-benzopyran",PUBCHEM_IUPAC_CAS_NAME,15756,bmse000754,1
1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol,PUBCHEM_IUPAC_NAME,15777,bmse000755,1
1-cyclohexyl-1-phenyl-3-pyrrolidino-propan-1-ol,PUBCHEM_IUPAC_TRADITIONAL_NAME,15777,bmse000755,1
1-cyclohexyl-1-phenyl-3-pyrrolidin-1-yl-propan-1-ol,PUBCHEM_IUPAC_OPENEYE_NAME,15777,bmse000755,1
1-cyclohexyl-1-phenyl-3-(1-pyrrolidinyl)-1-propanol,PUBCHEM_IUPAC_CAS_NAME,15777,bmse000755,1
1-cyclohexyl-1-phenyl-3-pyrrolidin-1-yl-propan-1-ol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15777,bmse000755,1
3-nitrofluoranthene,PUBCHEM_IUPAC_NAME,15797,bmse000756,1
3-nitrofluoranthene,PUBCHEM_IUPAC_TRADITIONAL_NAME,15797,bmse000756,1
3-nitrofluoranthene,PUBCHEM_IUPAC_OPENEYE_NAME,15797,bmse000756,1
3-nitrofluoranthene,PUBCHEM_IUPAC_CAS_NAME,15797,bmse000756,1
3-nitrofluoranthene,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15797,bmse000756,1
3-(2-aminoethyl)-1H-indol-5-ol,PUBCHEM_IUPAC_NAME,15817,bmse000757,1
3-(2-aminoethyl)-1H-indol-5-ol,PUBCHEM_IUPAC_TRADITIONAL_NAME,15817,bmse000757,1
3-(2-aminoethyl)-1H-indol-5-ol,PUBCHEM_IUPAC_OPENEYE_NAME,15817,bmse000757,1
3-(2-aminoethyl)-1H-indol-5-ol,PUBCHEM_IUPAC_CAS_NAME,15817,bmse000757,1
3-(2-azanylethyl)-1H-indol-5-ol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15817,bmse000757,1
"4-methoxyfuro[3,2-g]chromen-7-one",PUBCHEM_IUPAC_NAME,15838,bmse000758,1
"4-methoxyfuro[3,2-g]chromen-7-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,15838,bmse000758,1
"4-methoxyfuro[3,2-g]chromen-7-one",PUBCHEM_IUPAC_OPENEYE_NAME,15838,bmse000758,1
"4-methoxy-7-furo[3,2-g][1]benzopyranone",PUBCHEM_IUPAC_CAS_NAME,15838,bmse000758,1
"4-methoxyfuro[3,2-g]chromen-7-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,15838,bmse000758,1
"1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione",PUBCHEM_IUPAC_NAME,15859,bmse000759,1
"1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone",PUBCHEM_IUPAC_TRADITIONAL_NAME,15859,bmse000759,1
"1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione",PUBCHEM_IUPAC_OPENEYE_NAME,15859,bmse000759,1
"1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-methylpyrimidine-2,4-dione",PUBCHEM_IUPAC_CAS_NAME,15859,bmse000759,1
"1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione",PUBCHEM_IUPAC_SYSTEMATIC_NAME,15859,bmse000759,1
(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid,PUBCHEM_IUPAC_NAME,15878,bmse000760,1
(2S)-2-amino-6-guanidino-hexanoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,15878,bmse000760,1
(2S)-2-amino-3-methyl-butanoic acid,IUPAC,16676,bmse000811,1
(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid,PUBCHEM_IUPAC_CAS_NAME,15878,bmse000760,1
(2S)-2-azanyl-6-[bis(azanyl)methylideneamino]hexanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15878,bmse000760,1
(E)-2-methylbut-2-enedioic acid,PUBCHEM_IUPAC_NAME,15890,bmse000761,1
mesaconic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,15890,bmse000761,1
(E)-2-methylbut-2-enedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,15890,bmse000761,1
(E)-2-methyl-2-butenedioic acid,PUBCHEM_IUPAC_CAS_NAME,15890,bmse000761,1
(E)-2-methylbut-2-enedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15890,bmse000761,1
[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium,PUBCHEM_IUPAC_NAME,15903,bmse000762,1
[3-(dimethylcarbamoyloxy)phenyl]-trimethyl-ammonium,PUBCHEM_IUPAC_TRADITIONAL_NAME,15903,bmse000762,1
[3-(dimethylcarbamoyloxy)phenyl]-trimethyl-ammonium,PUBCHEM_IUPAC_OPENEYE_NAME,15903,bmse000762,1
[3-[dimethylamino(oxo)methoxy]phenyl]-trimethylammonium,PUBCHEM_IUPAC_CAS_NAME,15903,bmse000762,1
[3-(dimethylcarbamoyloxy)phenyl]-trimethyl-azanium,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15903,bmse000762,1
nonadecane,PUBCHEM_IUPAC_NAME,15945,bmse000764,1
nonadecane,PUBCHEM_IUPAC_TRADITIONAL_NAME,15945,bmse000764,1
nonadecane,PUBCHEM_IUPAC_OPENEYE_NAME,15945,bmse000764,1
nonadecane,PUBCHEM_IUPAC_CAS_NAME,15945,bmse000764,1
nonadecane,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15945,bmse000764,1
"2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane",PUBCHEM_IUPAC_NAME,15964,bmse000765,1
"2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane",PUBCHEM_IUPAC_TRADITIONAL_NAME,15964,bmse000765,1
"2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane",PUBCHEM_IUPAC_OPENEYE_NAME,15964,bmse000765,1
"2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane",PUBCHEM_IUPAC_CAS_NAME,15964,bmse000765,1
"2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane",PUBCHEM_IUPAC_SYSTEMATIC_NAME,15964,bmse000765,1
2-aminobenzenesulfonic acid,PUBCHEM_IUPAC_NAME,15983,bmse000766,1
2-aminobesylic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,15983,bmse000766,1
2-aminobenzenesulfonic acid,PUBCHEM_IUPAC_OPENEYE_NAME,15983,bmse000766,1
2-aminobenzenesulfonic acid,PUBCHEM_IUPAC_CAS_NAME,15983,bmse000766,1
2-azanylbenzenesulfonic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,15983,bmse000766,1
prop-2-ynoic acid,PUBCHEM_IUPAC_NAME,16001,bmse000767,1
propiolic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,16001,bmse000767,1
prop-2-ynoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,16001,bmse000767,1
2-propynoic acid,PUBCHEM_IUPAC_CAS_NAME,16001,bmse000767,1
prop-2-ynoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,16001,bmse000767,1
2-(hydroxymethyl)phenol,PUBCHEM_IUPAC_NAME,16014,bmse000768,1
2-methylolphenol,PUBCHEM_IUPAC_TRADITIONAL_NAME,16014,bmse000768,1
2-(hydroxymethyl)phenol,PUBCHEM_IUPAC_OPENEYE_NAME,16014,bmse000768,1
2-(hydroxymethyl)phenol,PUBCHEM_IUPAC_CAS_NAME,16014,bmse000768,1
2-(hydroxymethyl)phenol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,16014,bmse000768,1
5-(dithiolan-3-yl)pentanamide,PUBCHEM_IUPAC_NAME,16035,bmse000769,1
5-(dithiolan-3-yl)valeramide,PUBCHEM_IUPAC_TRADITIONAL_NAME,16035,bmse000769,1
5-(dithiolan-3-yl)pentanamide,PUBCHEM_IUPAC_OPENEYE_NAME,16035,bmse000769,1
5-(3-dithiolanyl)pentanamide,PUBCHEM_IUPAC_CAS_NAME,16035,bmse000769,1
"5-(1,2-dithiolan-3-yl)pentanamide",PUBCHEM_IUPAC_SYSTEMATIC_NAME,16035,bmse000769,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol",PUBCHEM_IUPAC_NAME,16054,bmse000770,1
"(2R,3S,4S,5R,6S)-2-methylol-6-phenoxy-tetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_TRADITIONAL_NAME,16054,bmse000770,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxy-tetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_OPENEYE_NAME,16054,bmse000770,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol",PUBCHEM_IUPAC_CAS_NAME,16054,bmse000770,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxy-oxane-3,4,5-triol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,16054,bmse000770,1
"benzene-1,2,4,5-tetracarboxylic acid",PUBCHEM_IUPAC_NAME,16073,bmse000771,1
pyromellitic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,16073,bmse000771,1
"benzene-1,2,4,5-tetracarboxylic acid",PUBCHEM_IUPAC_OPENEYE_NAME,16073,bmse000771,1
"benzene-1,2,4,5-tetracarboxylic acid",PUBCHEM_IUPAC_CAS_NAME,16073,bmse000771,1
"benzene-1,2,4,5-tetracarboxylic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,16073,bmse000771,1
"N,2-dihydroxybenzamide",PUBCHEM_IUPAC_NAME,16092,bmse000772,1
2-hydroxybenzenecarbohydroxamic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,16092,bmse000772,1
2-hydroxybenzenecarbohydroxamic acid,PUBCHEM_IUPAC_OPENEYE_NAME,16092,bmse000772,1
"N,2-dihydroxybenzamide",PUBCHEM_IUPAC_CAS_NAME,16092,bmse000772,1
"N,2-bis(oxidanyl)benzamide",PUBCHEM_IUPAC_SYSTEMATIC_NAME,16092,bmse000772,1
"N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine",PUBCHEM_IUPAC_NAME,16111,bmse000773,1
2-aminoethyl-[2-(2-aminoethylamino)ethyl]amine,PUBCHEM_IUPAC_TRADITIONAL_NAME,16111,bmse000773,1
"N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine",PUBCHEM_IUPAC_OPENEYE_NAME,16111,bmse000773,1
"N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine",PUBCHEM_IUPAC_CAS_NAME,16111,bmse000773,1
"N'-[2-(2-azanylethylamino)ethyl]ethane-1,2-diamine",PUBCHEM_IUPAC_SYSTEMATIC_NAME,16111,bmse000773,1
trimethyl phosphate,PUBCHEM_IUPAC_NAME,16129,bmse000774,1
phosphoric acid trimethyl ester,PUBCHEM_IUPAC_TRADITIONAL_NAME,16129,bmse000774,1
trimethyl phosphate,PUBCHEM_IUPAC_OPENEYE_NAME,16129,bmse000774,1
phosphoric acid trimethyl ester,PUBCHEM_IUPAC_CAS_NAME,16129,bmse000774,1
trimethyl phosphate,PUBCHEM_IUPAC_SYSTEMATIC_NAME,16129,bmse000774,1
3-methoxybenzamide,PUBCHEM_IUPAC_NAME,16147,bmse000775,1
3-methoxybenzamide,PUBCHEM_IUPAC_TRADITIONAL_NAME,16147,bmse000775,1
3-methoxybenzamide,PUBCHEM_IUPAC_OPENEYE_NAME,16147,bmse000775,1
3-methoxybenzamide,PUBCHEM_IUPAC_CAS_NAME,16147,bmse000775,1
3-methoxybenzamide,PUBCHEM_IUPAC_SYSTEMATIC_NAME,16147,bmse000775,1
2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid,PUBCHEM_IUPAC_NAME,16167,bmse000776,1
2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,16167,bmse000776,1
2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,16167,bmse000776,1
2-[(3-amino-1-oxopropyl)amino]-3-(3-methyl-4-imidazolyl)propanoic acid,PUBCHEM_IUPAC_CAS_NAME,16167,bmse000776,1
2-(3-azanylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,16167,bmse000776,1
tributyl phosphate,PUBCHEM_IUPAC_NAME,16188,bmse000777,1
phosphoric acid tributyl ester,PUBCHEM_IUPAC_TRADITIONAL_NAME,16188,bmse000777,1
tributyl phosphate,PUBCHEM_IUPAC_OPENEYE_NAME,16188,bmse000777,1
phosphoric acid tributyl ester,PUBCHEM_IUPAC_CAS_NAME,16188,bmse000777,1
tributyl phosphate,PUBCHEM_IUPAC_SYSTEMATIC_NAME,16188,bmse000777,1
"1-methyl-4-propan-2-ylcyclohexa-1,4-diene",PUBCHEM_IUPAC_NAME,16207,bmse000778,1
"1-isopropyl-4-methyl-cyclohexa-1,4-diene",PUBCHEM_IUPAC_TRADITIONAL_NAME,16207,bmse000778,1
"1-isopropyl-4-methyl-cyclohexa-1,4-diene",PUBCHEM_IUPAC_OPENEYE_NAME,16207,bmse000778,1
"1-methyl-4-propan-2-ylcyclohexa-1,4-diene",PUBCHEM_IUPAC_CAS_NAME,16207,bmse000778,1
"1-methyl-4-propan-2-yl-cyclohexa-1,4-diene",PUBCHEM_IUPAC_SYSTEMATIC_NAME,16207,bmse000778,1
4-amino-5-chloro-N-(2-diethylaminoethyl)-2-methoxybenzamide,PUBCHEM_IUPAC_NAME,16227,bmse000779,1
4-amino-5-chloro-N-(2-diethylaminoethyl)-2-methoxy-benzamide,PUBCHEM_IUPAC_TRADITIONAL_NAME,16227,bmse000779,1
4-amino-5-chloro-N-(2-diethylaminoethyl)-2-methoxy-benzamide,PUBCHEM_IUPAC_OPENEYE_NAME,16227,bmse000779,1
4-amino-5-chloro-N-(2-diethylaminoethyl)-2-methoxybenzamide,PUBCHEM_IUPAC_CAS_NAME,16227,bmse000779,1
4-azanyl-5-chloranyl-N-(2-diethylaminoethyl)-2-methoxy-benzamide,PUBCHEM_IUPAC_SYSTEMATIC_NAME,16227,bmse000779,1
tetramethylazanium,PUBCHEM_IUPAC_NAME,16246,bmse000780,1
tetramethylammonium,PUBCHEM_IUPAC_TRADITIONAL_NAME,16246,bmse000780,1
tetramethylammonium,PUBCHEM_IUPAC_OPENEYE_NAME,16246,bmse000780,1
tetramethylammonium,PUBCHEM_IUPAC_CAS_NAME,16246,bmse000780,1
tetramethylazanium,PUBCHEM_IUPAC_SYSTEMATIC_NAME,16246,bmse000780,1
ethanethioamide,PUBCHEM_IUPAC_NAME,16264,bmse000781,1
thioacetamide,PUBCHEM_IUPAC_TRADITIONAL_NAME,16264,bmse000781,1
thioacetamide,PUBCHEM_IUPAC_OPENEYE_NAME,16264,bmse000781,1
ethanethioamide,PUBCHEM_IUPAC_CAS_NAME,16264,bmse000781,1
ethanethioamide,PUBCHEM_IUPAC_SYSTEMATIC_NAME,16264,bmse000781,1
dimethylarsinic acid,PUBCHEM_IUPAC_NAME,16282,bmse000786,1
cacodylic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,16282,bmse000786,1
dimethylarsinic acid,PUBCHEM_IUPAC_OPENEYE_NAME,16282,bmse000786,1
dimethylarsinic acid,PUBCHEM_IUPAC_CAS_NAME,16282,bmse000786,1
dimethylarsinic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,16282,bmse000786,1
2-morpholin-4-ylethanesulfonic acid,PUBCHEM_IUPAC_NAME,16303,bmse000787,1
2-morpholinoethanesulfonic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,16303,bmse000787,1
2-morpholinoethanesulfonic acid,PUBCHEM_IUPAC_OPENEYE_NAME,16303,bmse000787,1
2-(4-morpholinyl)ethanesulfonic acid,PUBCHEM_IUPAC_CAS_NAME,16303,bmse000787,1
2-morpholin-4-ylethanesulfonic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,16303,bmse000787,1
3-morpholin-4-ylpropane-1-sulfonic acid,PUBCHEM_IUPAC_NAME,16324,bmse000788,1
3-morpholinopropane-1-sulfonic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,16324,bmse000788,1
3-morpholinopropane-1-sulfonic acid,PUBCHEM_IUPAC_OPENEYE_NAME,16324,bmse000788,1
3-(4-morpholinyl)-1-propanesulfonic acid,PUBCHEM_IUPAC_CAS_NAME,16324,bmse000788,1
3-morpholin-4-ylpropane-1-sulfonic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,16324,bmse000788,1
2-amino-1-methyl-5H-imidazol-4-one,IUPAC,16345,bmse000789,1
2-amino-1-methyl-5H-imidazol-4-one,IUPAC_TRADITIONAL,16345,bmse000789,1
2-amino-1-methyl-5H-imidazol-4-one,IUPAC_CAS,16345,bmse000789,1
2-amino-1-methyl-5H-imidazol-4-one,IUPAC_OPENEYE,16345,bmse000789,1
2-amino-1-methyl-5H-imidazol-4-one,IUPAC_SYSTEMATIC,16345,bmse000789,1
1H-imidazole,IUPAC,16362,bmse000790,1
1H-imidazole,IUPAC_TRADITIONAL,16362,bmse000790,1
1H-imidazole,IUPAC_CAS,16362,bmse000790,1
1H-imidazole,IUPAC_OPENEYE,16362,bmse000790,1
1H-imidazole,IUPAC_SYSTEMATIC,16362,bmse000790,1
"(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC,16379,bmse000791,1
"(2S,3R,4S,5R,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,16379,bmse000791,1
"(2S,3R,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,16379,bmse000791,1
"(2S,3R,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,16379,bmse000791,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC,16396,bmse000792,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC_TRADITIONAL,16396,bmse000792,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC_CAS,16396,bmse000792,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC_OPENEYE,16396,bmse000792,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC_SYSTEMATIC,16396,bmse000792,1
"(2S,3R,4S,5R)-2-[[(3R,4R,5R)-4,5,6-trihydroxy-3-oxanyl]oxy]oxane-3,4,5-triol",PUBCHEM_IUPAC_CAS_NAME,16411,bmse000793,1
"(2S,3R,4S,5R)-2-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxane-3,4,5-triol",PUBCHEM_IUPAC_NAME,16411,bmse000793,1
"(2S,3R,4S,5R)-2-[(3R,4R,5R)-4,5,6-trihydroxytetrahydropyran-3-yl]oxytetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_OPENEYE_NAME,16411,bmse000793,1
"(2S,3R,4S,5R)-2-[(3R,4R,5R)-4,5,6-tris(oxidanyl)oxan-3-yl]oxyoxane-3,4,5-triol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,16411,bmse000793,1
"(2S,3R,4S,5R)-2-[(3R,4R,5R)-4,5,6-trihydroxytetrahydropyran-3-yl]oxytetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_TRADITIONAL_NAME,16411,bmse000793,1
3-carboxypropyl(trimethyl)azanium,PUBCHEM_IUPAC_NAME,16430,bmse000794,1
3-carboxypropyl(trimethyl)ammonium,PUBCHEM_IUPAC_TRADITIONAL_NAME,16430,bmse000794,1
3-carboxypropyl(trimethyl)ammonium,PUBCHEM_IUPAC_OPENEYE_NAME,16430,bmse000794,1
3-carboxypropyl(trimethyl)ammonium,PUBCHEM_IUPAC_CAS_NAME,16430,bmse000794,1
trimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium,PUBCHEM_IUPAC_SYSTEMATIC_NAME,16430,bmse000794,1
sodium 3-trimethylsilylpropane-1-sulfonate,PUBCHEM_IUPAC_NAME,16448,bmse000795,1
sodium 3-trimethylsilylpropane-1-sulfonate,PUBCHEM_IUPAC_TRADITIONAL_NAME,16448,bmse000795,1
sodium 3-trimethylsilylpropane-1-sulfonate,PUBCHEM_IUPAC_OPENEYE_NAME,16448,bmse000795,1
sodium 3-trimethylsilyl-1-propanesulfonate,PUBCHEM_IUPAC_CAS_NAME,16448,bmse000795,1
sodium 3-trimethylsilylpropane-1-sulfonate,PUBCHEM_IUPAC_SYSTEMATIC_NAME,16448,bmse000795,1
"propane-1,3-diamine",IUPAC,16466,bmse000796,1
"propane-1,3-diamine",IUPAC_TRADITIONAL,16466,bmse000796,1
"propane-1,3-diamine",IUPAC_CAS,16466,bmse000796,1
"propane-1,3-diamine",IUPAC_OPENEYE,16466,bmse000796,1
"propane-1,3-diamine",IUPAC_SYSTEMATIC,16466,bmse000796,1
"(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC,16480,bmse000797,1
"(2S,3R,4S,5R,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,16480,bmse000797,1
"(2S,3R,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,16480,bmse000797,1
"(2S,3R,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,16480,bmse000797,1
"(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol",IUPAC,16494,bmse000798,1
"(2R,3R,4S,5R,6R)-2-methylol-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_TRADITIONAL,16494,bmse000798,1
"(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_CAS,16494,bmse000798,1
"(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_OPENEYE,16494,bmse000798,1
"(3R,4S,5R,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-2,3,4-triol",IUPAC_SYSTEMATIC,16494,bmse000798,1
"(3R,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC,16508,bmse000799,1
"(3R,4R,5R)-2-methyloltetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,16508,bmse000799,1
"(3R,4R,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,16508,bmse000799,1
"(3R,4R,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,16508,bmse000799,1
"(3R,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC_SYSTEMATIC,16508,bmse000799,1
(2S)-2-amino-5-(carbamoylamino)pentanoic acid,IUPAC,16522,bmse000800,1
(2S)-2-amino-5-ureido-pentanoic acid,IUPAC_TRADITIONAL,16522,bmse000800,1
(2S)-2-amino-5-ureido-pentanoic acid,IUPAC_CAS,16522,bmse000800,1
(2S)-2-amino-5-ureido-pentanoic acid,IUPAC_OPENEYE,16522,bmse000800,1
(2S)-2-amino-5-(aminocarbonylamino)pentanoic acid,IUPAC_SYSTEMATIC,16522,bmse000800,1
2-oxopentanedioic acid,IUPAC,16536,bmse000801,1
2-oxoglutaric acid,IUPAC_TRADITIONAL,16536,bmse000801,1
2-oxopentanedioic acid,IUPAC_CAS,16536,bmse000801,1
2-oxopentanedioic acid,IUPAC_OPENEYE,16536,bmse000801,1
2-oxopentanedioic acid,IUPAC_SYSTEMATIC,16536,bmse000801,1
"(2S,4S)-pentane-1,2,3,4,5-pentol",IUPAC,16550,bmse000802,1
"(2S,4S)-pentane-1,2,3,4,5-pentol",IUPAC_TRADITIONAL,16550,bmse000802,1
"(2S,4S)-pentane-1,2,3,4,5-pentol",IUPAC_CAS,16550,bmse000802,1
"(2S,4S)-pentane-1,2,3,4,5-pentol",IUPAC_OPENEYE,16550,bmse000802,1
"(2S,4S)-pentane-1,2,3,4,5-pentol",IUPAC_SYSTEMATIC,16550,bmse000802,1
"(2S,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol",IUPAC,16564,bmse000803,1
"(2S,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol",IUPAC_TRADITIONAL,16564,bmse000803,1
"(2S,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol",IUPAC_CAS,16564,bmse000803,1
"(2S,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol",IUPAC_OPENEYE,16564,bmse000803,1
"(2S,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol",IUPAC_SYSTEMATIC,16564,bmse000803,1
"(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",IUPAC,16578,bmse000804,1
"(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol",IUPAC_TRADITIONAL,16578,bmse000804,1
"(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol",IUPAC_CAS,16578,bmse000804,1
"(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol",IUPAC_OPENEYE,16578,bmse000804,1
2-aminoethanesulfonic acid,IUPAC,16592,bmse000805,1
(2S)-2-amino-4-[[(1R)-2-[(2R)-2-[[(4S)-4-amino-4-carboxy-butanoyl]amino]-2-(carboxymethylcarbamoyl)ethyl]disulfanyl-1-(carboxymethylcarbamoyl)ethyl]carbamoyl]butanoic acid,IUPAC,16606,bmse000806,1
(2S)-2-amino-4-[[[(1R)-2-[(2R)-2-[[(4S)-4-amino-4-carboxy-1-oxo-butyl]amino]-2-[(carboxymethylamino)-oxo-methyl]ethyl]disulfanyl-1-[(carboxymethylamino)-oxo-methyl]ethyl]amino]-oxo-methyl]butanoic acid,IUPAC_CAS,16606,bmse000806,1
"propane-1,2,3-triol",IUPAC,16620,bmse000807,1
glycerol,IUPAC_TRADITIONAL,16620,bmse000807,1
glycerol,IUPAC_CAS,16620,bmse000807,1
glycerol,IUPAC_OPENEYE,16620,bmse000807,1
"propane-1,2,3-triol",IUPAC_SYSTEMATIC,16620,bmse000807,1
"(3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC,16634,bmse000808,1
"(3R,4R,5R,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,16634,bmse000808,1
"(3R,4R,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,16634,bmse000808,1
"(3R,4R,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,16634,bmse000808,1
"(3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC_SYSTEMATIC,16634,bmse000808,1
(2S)-2-amino-3-hydroxy-propanoic acid,IUPAC,16648,bmse000809,1
"(2S,3R)-2-amino-3-hydroxy-butanoic acid",IUPAC,16662,bmse000810,1
2-(4-aminobutyl)guanidine,IUPAC_SYSTEMATIC,16690,bmse000812,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol",IUPAC,16704,bmse000813,1
"(2R,3S,4S,5R,6S)-2-methylol-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_TRADITIONAL,16704,bmse000813,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_CAS,16704,bmse000813,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_OPENEYE,16704,bmse000813,1
"butane-1,4-diamine",IUPAC,16718,bmse000814,1
"(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-3,4,5-triol",IUPAC,16732,bmse000815,1
"(2R,3R,4S,5R,6R)-2-methylol-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_TRADITIONAL,16732,bmse000815,1
"(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_CAS,16732,bmse000815,1
"(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_OPENEYE,16732,bmse000815,1
"1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",IUPAC,16746,bmse000816,1
"1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone",IUPAC_TRADITIONAL,16746,bmse000816,1
"1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione",IUPAC_CAS,16746,bmse000816,1
"1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione",IUPAC_OPENEYE,16746,bmse000816,1
"1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",IUPAC_SYSTEMATIC,16746,bmse000816,1
acetic acid,IUPAC,16760,bmse000817,1
acetic acid,IUPAC_TRADITIONAL,16760,bmse000817,1
acetic acid,IUPAC_CAS,16760,bmse000817,1
acetic acid,IUPAC_OPENEYE,16760,bmse000817,1
ethanoic acid,IUPAC_SYSTEMATIC,16760,bmse000817,1
(2S)-2-hydroxypropanoic acid,IUPAC,16774,bmse000818,1
lactic acid,IUPAC_TRADITIONAL,16774,bmse000818,1
lactic acid,IUPAC_CAS,16774,bmse000818,1
lactic acid,IUPAC_OPENEYE,16774,bmse000818,1
2-hydroxyethanesulfonic acid,IUPAC,16788,bmse000819,1
2-hydroxyethanesulfonic acid,IUPAC_TRADITIONAL,16788,bmse000819,1
2-hydroxyethanesulfonic acid,IUPAC_CAS,16788,bmse000819,1
2-hydroxyethanesulfonic acid,IUPAC_OPENEYE,16788,bmse000819,1
2-hydroxyethanesulfonic acid,IUPAC_SYSTEMATIC,16788,bmse000819,1
4-aminobutanoic acid,PUBCHEM_IUPAC_NAME,16802,bmse000820,1
4-aminobutyric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,16802,bmse000820,1
4-aminobutanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,16802,bmse000820,1
4-aminobutanoic acid,PUBCHEM_IUPAC_CAS_NAME,16802,bmse000820,1
4-aminobutanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,16802,bmse000820,1
(2R)-5-oxopyrrolidine-2-carboxylic acid,PUBCHEM_IUPAC_NAME,16816,bmse000821,1
pyroglutamic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,16816,bmse000821,1
(2R)-5-oxopyrrolidine-2-carboxylic acid,PUBCHEM_IUPAC_OPENEYE_NAME,16816,bmse000821,1
(2R)-5-oxo-2-pyrrolidinecarboxylic acid,PUBCHEM_IUPAC_CAS_NAME,16816,bmse000821,1
(2R)-5-oxopyrrolidine-2-carboxylic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,16816,bmse000821,1
dimethylarsinic acid,PUBCHEM_IUPAC_NAME,16830,bmse000822,1
cacodylic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,16830,bmse000822,1
dimethylarsinic acid,PUBCHEM_IUPAC_OPENEYE_NAME,16830,bmse000822,1
dimethylarsinic acid,PUBCHEM_IUPAC_CAS_NAME,16830,bmse000822,1
dimethylarsinic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,16830,bmse000822,1
"(2S,3R,4S,5R)-2-[[(3R,4R,5R)-4,5,6-trihydroxy-3-oxanyl]oxy]oxane-3,4,5-triol",PUBCHEM_IUPAC_CAS_NAME,16844,bmse000823,1
"(2S,3R,4S,5R)-2-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxane-3,4,5-triol",PUBCHEM_IUPAC_NAME,16844,bmse000823,1
"(2S,3R,4S,5R)-2-[(3R,4R,5R)-4,5,6-trihydroxytetrahydropyran-3-yl]oxytetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_OPENEYE_NAME,16844,bmse000823,1
"(2S,3R,4S,5R)-2-[(3R,4R,5R)-4,5,6-tris(oxidanyl)oxan-3-yl]oxyoxane-3,4,5-triol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,16844,bmse000823,1
"(2S,3R,4S,5R)-2-[(3R,4R,5R)-4,5,6-trihydroxytetrahydropyran-3-yl]oxytetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_TRADITIONAL_NAME,16844,bmse000823,1
"[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate",PUBCHEM_IUPAC_NAME,16858,bmse000824,1
"[(2R,3S,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate",PUBCHEM_IUPAC_TRADITIONAL_NAME,16858,bmse000824,1
"[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate",PUBCHEM_IUPAC_OPENEYE_NAME,16858,bmse000824,1
"[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]methyl dihydrogen phosphate",PUBCHEM_IUPAC_CAS_NAME,16858,bmse000824,1
"[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",PUBCHEM_IUPAC_SYSTEMATIC_NAME,16858,bmse000824,1
acetamide,PUBCHEM_IUPAC_NAME,16884,bmse000825,1
acetamide,PUBCHEM_IUPAC_TRADITIONAL_NAME,16884,bmse000825,1
acetamide,PUBCHEM_IUPAC_OPENEYE_NAME,16884,bmse000825,1
acetamide,PUBCHEM_IUPAC_CAS_NAME,16884,bmse000825,1
ethanamide,PUBCHEM_IUPAC_SYSTEMATIC_NAME,16884,bmse000825,1
acetonitrile,PUBCHEM_IUPAC_NAME,16902,bmse000826,1
acetonitrile,PUBCHEM_IUPAC_TRADITIONAL_NAME,16902,bmse000826,1
acetonitrile,PUBCHEM_IUPAC_OPENEYE_NAME,16902,bmse000826,1
acetonitrile,PUBCHEM_IUPAC_CAS_NAME,16902,bmse000826,1
ethanenitrile,PUBCHEM_IUPAC_SYSTEMATIC_NAME,16902,bmse000826,1
2-aminooctanoic acid,PUBCHEM_IUPAC_NAME,16920,bmse000827,1
2-aminocaprylic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,16920,bmse000827,1
2-aminooctanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,16920,bmse000827,1
2-aminooctanoic acid,PUBCHEM_IUPAC_CAS_NAME,16920,bmse000827,1
2-azanyloctanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,16920,bmse000827,1
3-amino-2-methylpropanoic acid,PUBCHEM_IUPAC_NAME,16939,bmse000828,1
3-amino-2-methyl-propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,16939,bmse000828,1
3-amino-2-methyl-propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,16939,bmse000828,1
3-amino-2-methylpropanoic acid,PUBCHEM_IUPAC_CAS_NAME,16939,bmse000828,1
3-azanyl-2-methyl-propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,16939,bmse000828,1
"(3R,4R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol",PUBCHEM_IUPAC_NAME,16958,bmse000829,1
"(2S,4R,5R)-2-(isopropylthio)-6-methylol-tetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_TRADITIONAL_NAME,16958,bmse000829,1
"(3R,4R,6S)-2-(hydroxymethyl)-6-isopropylsulfanyl-tetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_OPENEYE_NAME,16958,bmse000829,1
"(3R,4R,6S)-2-(hydroxymethyl)-6-(propan-2-ylthio)oxane-3,4,5-triol",PUBCHEM_IUPAC_CAS_NAME,16958,bmse000829,1
"(3R,4R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyl-oxane-3,4,5-triol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,16958,bmse000829,1
(2S)-2-acetamido-6-aminohexanoic acid,PUBCHEM_IUPAC_NAME,16978,bmse000830,1
(2S)-2-acetamido-6-amino-hexanoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,16978,bmse000830,1
(2S)-2-acetamido-6-amino-hexanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,16978,bmse000830,1
(2S)-2-acetamido-6-aminohexanoic acid,PUBCHEM_IUPAC_CAS_NAME,16978,bmse000830,1
(2S)-2-acetamido-6-azanyl-hexanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,16978,bmse000830,1
"benzene-1,2,4-triol",PUBCHEM_IUPAC_CAS_NAME,16998,bmse000831,1
"benzene-1,2,4-triol",PUBCHEM_IUPAC_NAME,16998,bmse000831,1
"benzene-1,2,4-triol",PUBCHEM_IUPAC_OPENEYE_NAME,16998,bmse000831,1
"benzene-1,2,4-triol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,16998,bmse000831,1
"benzene-1,2,4-triol",PUBCHEM_IUPAC_TRADITIONAL_NAME,16998,bmse000831,1
"1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene",PUBCHEM_IUPAC_NAME,17018,bmse000832,1
"1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene",PUBCHEM_IUPAC_TRADITIONAL_NAME,17018,bmse000832,1
"1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene",PUBCHEM_IUPAC_OPENEYE_NAME,17018,bmse000832,1
"1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene",PUBCHEM_IUPAC_CAS_NAME,17018,bmse000832,1
"1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene",PUBCHEM_IUPAC_SYSTEMATIC_NAME,17018,bmse000832,1
"(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_NAME,17037,bmse000833,1
"(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,17037,bmse000833,1
"(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,17037,bmse000833,1
"(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_CAS_NAME,17037,bmse000833,1
"(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,17037,bmse000833,1
"1,4-xylene",PUBCHEM_IUPAC_NAME,17058,bmse000834,1
p-xylene,PUBCHEM_IUPAC_TRADITIONAL_NAME,17058,bmse000834,1
p-xylene,PUBCHEM_IUPAC_OPENEYE_NAME,17058,bmse000834,1
"1,4-xylene",PUBCHEM_IUPAC_CAS_NAME,17058,bmse000834,1
"1,4-dimethylbenzene",PUBCHEM_IUPAC_SYSTEMATIC_NAME,17058,bmse000834,1
"6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine",PUBCHEM_IUPAC_NAME,17077,bmse000835,1
[4-chloro-6-(ethylamino)-s-triazin-2-yl]-isopropyl-amine,PUBCHEM_IUPAC_TRADITIONAL_NAME,17077,bmse000835,1
"6-chloro-N4-ethyl-N2-isopropyl-1,3,5-triazine-2,4-diamine",PUBCHEM_IUPAC_OPENEYE_NAME,17077,bmse000835,1
"6-chloro-N4-ethyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine",PUBCHEM_IUPAC_CAS_NAME,17077,bmse000835,1
"6-chloranyl-N4-ethyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine",PUBCHEM_IUPAC_SYSTEMATIC_NAME,17077,bmse000835,1
"5,7-diiodoquinolin-8-ol",PUBCHEM_IUPAC_NAME,17099,bmse000836,1
"5,7-diiodoquinolin-8-ol",PUBCHEM_IUPAC_TRADITIONAL_NAME,17099,bmse000836,1
"5,7-diiodoquinolin-8-ol",PUBCHEM_IUPAC_OPENEYE_NAME,17099,bmse000836,1
"5,7-diiodo-8-quinolinol",PUBCHEM_IUPAC_CAS_NAME,17099,bmse000836,1
"5,7-bis(iodanyl)quinolin-8-ol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,17099,bmse000836,1
"(1R,2S)-cyclohexane-1,2-diol",PUBCHEM_IUPAC_CAS_NAME,17116,bmse000837,1
"(1R,2S)-cyclohexane-1,2-diol",PUBCHEM_IUPAC_NAME,17116,bmse000837,1
"(1R,2S)-cyclohexane-1,2-diol",PUBCHEM_IUPAC_OPENEYE_NAME,17116,bmse000837,1
"(1R,2S)-cyclohexane-1,2-diol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,17116,bmse000837,1
"(1R,2S)-cyclohexane-1,2-diol",PUBCHEM_IUPAC_TRADITIONAL_NAME,17116,bmse000837,1
2-[[2-(1H-indol-3-yl)acetyl]amino]butanedioic acid,PUBCHEM_IUPAC_NAME,17135,bmse000838,1
2-[[2-(1H-indol-3-yl)acetyl]amino]succinic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,17135,bmse000838,1
2-[[2-(1H-indol-3-yl)acetyl]amino]butanedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,17135,bmse000838,1
2-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]butanedioic acid,PUBCHEM_IUPAC_CAS_NAME,17135,bmse000838,1
2-[2-(1H-indol-3-yl)ethanoylamino]butanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,17135,bmse000838,1
(5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one,PUBCHEM_IUPAC_NAME,17155,bmse000839,1
(5R)-2-isopropylidene-5-methyl-cyclohexanone,PUBCHEM_IUPAC_TRADITIONAL_NAME,17155,bmse000839,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC_CAS,18434,bmse000921,1
(5R)-2-isopropylidene-5-methyl-cyclohexanone,PUBCHEM_IUPAC_OPENEYE_NAME,17155,bmse000839,1
(5R)-5-methyl-2-propan-2-ylidene-1-cyclohexanone,PUBCHEM_IUPAC_CAS_NAME,17155,bmse000839,1
(5R)-5-methyl-2-propan-2-ylidene-cyclohexan-1-one,PUBCHEM_IUPAC_SYSTEMATIC_NAME,17155,bmse000839,1
"2-sulfanylidene-1,3-thiazolidin-4-one",PUBCHEM_IUPAC_NAME,17177,bmse000840,1
rhodanine,PUBCHEM_IUPAC_TRADITIONAL_NAME,17177,bmse000840,1
2-thioxothiazolidin-4-one,PUBCHEM_IUPAC_OPENEYE_NAME,17177,bmse000840,1
2-sulfanylidene-4-thiazolidinone,PUBCHEM_IUPAC_CAS_NAME,17177,bmse000840,1
"2-sulfanylidene-1,3-thiazolidin-4-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,17177,bmse000840,1
"1,2,4-trichlorobenzene",PUBCHEM_IUPAC_CAS_NAME,17195,bmse000841,1
"1,2,4-trichlorobenzene",PUBCHEM_IUPAC_NAME,17195,bmse000841,1
"1,2,4-trichlorobenzene",PUBCHEM_IUPAC_OPENEYE_NAME,17195,bmse000841,1
"1,2,4-tris(chloranyl)benzene",PUBCHEM_IUPAC_SYSTEMATIC_NAME,17195,bmse000841,1
"1,2,4-trichlorobenzene",PUBCHEM_IUPAC_TRADITIONAL_NAME,17195,bmse000841,1
furan-3-carboxylic acid,PUBCHEM_IUPAC_NAME,17214,bmse000842,1
3-furoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,17214,bmse000842,1
furan-3-carboxylic acid,PUBCHEM_IUPAC_OPENEYE_NAME,17214,bmse000842,1
3-furancarboxylic acid,PUBCHEM_IUPAC_CAS_NAME,17214,bmse000842,1
furan-3-carboxylic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,17214,bmse000842,1
2-hydroxy-3-methylbenzaldehyde,PUBCHEM_IUPAC_NAME,17233,bmse000843,1
2-hydroxy-3-methyl-benzaldehyde,PUBCHEM_IUPAC_TRADITIONAL_NAME,17233,bmse000843,1
2-hydroxy-3-methyl-benzaldehyde,PUBCHEM_IUPAC_OPENEYE_NAME,17233,bmse000843,1
2-hydroxy-3-methylbenzaldehyde,PUBCHEM_IUPAC_CAS_NAME,17233,bmse000843,1
3-methyl-2-oxidanyl-benzaldehyde,PUBCHEM_IUPAC_SYSTEMATIC_NAME,17233,bmse000843,1
"2-methylbuta-1,3-diene",PUBCHEM_IUPAC_NAME,17253,bmse000844,1
isoprene,PUBCHEM_IUPAC_TRADITIONAL_NAME,17253,bmse000844,1
isoprene,PUBCHEM_IUPAC_OPENEYE_NAME,17253,bmse000844,1
"2-methylbuta-1,3-diene",PUBCHEM_IUPAC_CAS_NAME,17253,bmse000844,1
"2-methylbuta-1,3-diene",PUBCHEM_IUPAC_SYSTEMATIC_NAME,17253,bmse000844,1
"1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene",PUBCHEM_IUPAC_CAS_NAME,17273,bmse000845,1
"1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene",PUBCHEM_IUPAC_NAME,17273,bmse000845,1
"1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene",PUBCHEM_IUPAC_OPENEYE_NAME,17273,bmse000845,1
"1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethyl]-4-chloranyl-benzene",PUBCHEM_IUPAC_SYSTEMATIC_NAME,17273,bmse000845,1
"1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene",PUBCHEM_IUPAC_TRADITIONAL_NAME,17273,bmse000845,1
"diethyl benzene-1,2-dicarboxylate",PUBCHEM_IUPAC_NAME,17293,bmse000846,1
"benzene-1,2-dicarboxylic acid diethyl ester",PUBCHEM_IUPAC_TRADITIONAL_NAME,17293,bmse000846,1
"diethyl benzene-1,2-dicarboxylate",PUBCHEM_IUPAC_OPENEYE_NAME,17293,bmse000846,1
"benzene-1,2-dicarboxylic acid diethyl ester",PUBCHEM_IUPAC_CAS_NAME,17293,bmse000846,1
"diethyl benzene-1,2-dicarboxylate",PUBCHEM_IUPAC_SYSTEMATIC_NAME,17293,bmse000846,1
undecanedioic acid,PUBCHEM_IUPAC_NAME,17315,bmse000847,1
undecanedioic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,17315,bmse000847,1
undecanedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,17315,bmse000847,1
undecanedioic acid,PUBCHEM_IUPAC_CAS_NAME,17315,bmse000847,1
undecanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,17315,bmse000847,1
thiophene-2-carboxylic acid,PUBCHEM_IUPAC_NAME,17333,bmse000848,1
2-thenoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,17333,bmse000848,1
thiophene-2-carboxylic acid,PUBCHEM_IUPAC_OPENEYE_NAME,17333,bmse000848,1
2-thiophenecarboxylic acid,PUBCHEM_IUPAC_CAS_NAME,17333,bmse000848,1
thiophene-2-carboxylic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,17333,bmse000848,1
"[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate",PUBCHEM_IUPAC_NAME,17351,bmse000849,1
"stearic acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester",PUBCHEM_IUPAC_TRADITIONAL_NAME,17351,bmse000849,1
"[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate",PUBCHEM_IUPAC_OPENEYE_NAME,17351,bmse000849,1
"octadecanoic acid [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester",PUBCHEM_IUPAC_CAS_NAME,17351,bmse000849,1
"[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate",PUBCHEM_IUPAC_SYSTEMATIC_NAME,17351,bmse000849,1
"(E,2S,3R)-2-aminooctadec-4-ene-1,3-diol",PUBCHEM_IUPAC_NAME,17371,bmse000850,1
"(E,2S,3R)-2-aminooctadec-4-ene-1,3-diol",PUBCHEM_IUPAC_TRADITIONAL_NAME,17371,bmse000850,1
"(E,2S,3R)-2-aminooctadec-4-ene-1,3-diol",PUBCHEM_IUPAC_OPENEYE_NAME,17371,bmse000850,1
"(E,2S,3R)-2-amino-4-octadecene-1,3-diol",PUBCHEM_IUPAC_CAS_NAME,17371,bmse000850,1
"(E,2S,3R)-2-azanyloctadec-4-ene-1,3-diol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,17371,bmse000850,1
octanal,PUBCHEM_IUPAC_NAME,17390,bmse000851,1
caprylaldehyde,PUBCHEM_IUPAC_TRADITIONAL_NAME,17390,bmse000851,1
octanal,PUBCHEM_IUPAC_OPENEYE_NAME,17390,bmse000851,1
octanal,PUBCHEM_IUPAC_CAS_NAME,17390,bmse000851,1
octanal,PUBCHEM_IUPAC_SYSTEMATIC_NAME,17390,bmse000851,1
(Z)-octadec-6-enoic acid,PUBCHEM_IUPAC_NAME,17409,bmse000852,1
petroselinic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,17409,bmse000852,1
(Z)-octadec-6-enoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,17409,bmse000852,1
(Z)-6-octadecenoic acid,PUBCHEM_IUPAC_CAS_NAME,17409,bmse000852,1
(Z)-octadec-6-enoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,17409,bmse000852,1
"[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,17444,bmse000854,1
"[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,17444,bmse000854,1
"[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,17444,bmse000854,1
"[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,17444,bmse000854,1
"[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,17444,bmse000854,1
"(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC,17459,bmse000855,1
"(2S,3R,4S,5R,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,17459,bmse000855,1
"(2S,3R,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,17459,bmse000855,1
"(2S,3R,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,17459,bmse000855,1
"propane-1,2,3-triol",IUPAC,17474,bmse000856,1
glycerol,IUPAC_TRADITIONAL,17474,bmse000856,1
glycerol,IUPAC_CAS,17474,bmse000856,1
glycerol,IUPAC_OPENEYE,17474,bmse000856,1
"propane-1,2,3-triol",IUPAC_SYSTEMATIC,17474,bmse000856,1
acetic acid,IUPAC,17489,bmse000857,1
acetic acid,IUPAC_TRADITIONAL,17489,bmse000857,1
acetic acid,IUPAC_CAS,17489,bmse000857,1
acetic acid,IUPAC_OPENEYE,17489,bmse000857,1
ethanoic acid,IUPAC_SYSTEMATIC,17489,bmse000857,1
(2S)-2-amino-5-(carbamoylamino)pentanoic acid,IUPAC,17504,bmse000858,1
(2S)-2-amino-5-ureido-pentanoic acid,IUPAC_TRADITIONAL,17504,bmse000858,1
(2S)-2-amino-5-ureido-pentanoic acid,IUPAC_CAS,17504,bmse000858,1
(2S)-2-amino-5-ureido-pentanoic acid,IUPAC_OPENEYE,17504,bmse000858,1
(2S)-2-amino-5-(aminocarbonylamino)pentanoic acid,IUPAC_SYSTEMATIC,17504,bmse000858,1
"(2S,3R)-2-amino-3-hydroxy-butanoic acid",IUPAC,17519,bmse000859,1
(2S)-2-amino-3-methyl-butanoic acid,IUPAC,17534,bmse000860,1
7H-purin-6-amine,IUPAC,17549,bmse000861,1
7H-purin-6-amine,IUPAC_TRADITIONAL,17549,bmse000861,1
7H-purin-6-amine,IUPAC_CAS,17549,bmse000861,1
7H-purin-6-amine,IUPAC_OPENEYE,17549,bmse000861,1
7H-purin-6-amine,IUPAC_SYSTEMATIC,17549,bmse000861,1
"butane-1,4-diamine",IUPAC,17565,bmse000862,1
2-aminoethanesulfonic acid,IUPAC,17580,bmse000863,1
"1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",IUPAC,17594,bmse000864,1
"1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone",IUPAC_TRADITIONAL,17594,bmse000864,1
"1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione",IUPAC_CAS,17594,bmse000864,1
"1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione",IUPAC_OPENEYE,17594,bmse000864,1
"1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",IUPAC_SYSTEMATIC,17594,bmse000864,1
"(3S,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC,17609,bmse000865,1
"(3S,4S,5R)-2-methyloltetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,17609,bmse000865,1
"(3S,4S,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,17609,bmse000865,1
"(3S,4S,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,17609,bmse000865,1
"(3S,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC_SYSTEMATIC,17609,bmse000865,1
"(2S,3S)-2-amino-3-methyl-pentanoic acid",IUPAC,17624,bmse000866,1
(2S)-2-amino-3-hydroxy-propanoic acid,IUPAC,17639,bmse000867,1
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,IUPAC,17654,bmse000868,1
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,IUPAC_TRADITIONAL,17654,bmse000868,1
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,IUPAC_CAS,17654,bmse000868,1
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,IUPAC_OPENEYE,17654,bmse000868,1
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,IUPAC_SYSTEMATIC,17654,bmse000868,1
"(2S,4S)-pentane-1,2,3,4,5-pentol",IUPAC,17669,bmse000869,1
"(2S,4S)-pentane-1,2,3,4,5-pentol",IUPAC_TRADITIONAL,17669,bmse000869,1
"(2S,4S)-pentane-1,2,3,4,5-pentol",IUPAC_CAS,17669,bmse000869,1
"(2S,4S)-pentane-1,2,3,4,5-pentol",IUPAC_OPENEYE,17669,bmse000869,1
"(2S,4S)-pentane-1,2,3,4,5-pentol",IUPAC_SYSTEMATIC,17669,bmse000869,1
4-(2-aminoethyl)phenol,IUPAC,17684,bmse000870,1
4-(2-aminoethyl)phenol,IUPAC_TRADITIONAL,17684,bmse000870,1
4-(2-aminoethyl)phenol,IUPAC_CAS,17684,bmse000870,1
4-(2-aminoethyl)phenol,IUPAC_OPENEYE,17684,bmse000870,1
4-(2-aminoethyl)phenol,IUPAC_SYSTEMATIC,17684,bmse000870,1
4-aminobutanoic acid,PUBCHEM_IUPAC_NAME,17699,bmse000871,1
4-aminobutyric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,17699,bmse000871,1
4-aminobutanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,17699,bmse000871,1
4-aminobutanoic acid,PUBCHEM_IUPAC_CAS_NAME,17699,bmse000871,1
4-aminobutanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,17699,bmse000871,1
"propane-1,3-diamine",IUPAC,17714,bmse000872,1
"propane-1,3-diamine",IUPAC_TRADITIONAL,17714,bmse000872,1
"propane-1,3-diamine",IUPAC_CAS,17714,bmse000872,1
"propane-1,3-diamine",IUPAC_OPENEYE,17714,bmse000872,1
"propane-1,3-diamine",IUPAC_SYSTEMATIC,17714,bmse000872,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid",IUPAC,17729,bmse000873,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,17729,bmse000873,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_CAS,17729,bmse000873,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,17729,bmse000873,1
"(3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC,17743,bmse000874,1
"(3S,4S,5R,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,17743,bmse000874,1
"(3S,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,17743,bmse000874,1
"(3S,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,17743,bmse000874,1
(2S)-2-aminobutanedioic acid,IUPAC,17757,bmse000875,1
(2S)-2-aminosuccinic acid,IUPAC_TRADITIONAL,17757,bmse000875,1
"(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-3,4,5-triol",IUPAC,17772,bmse000876,1
"(2R,3R,4S,5R,6R)-2-methylol-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_TRADITIONAL,17772,bmse000876,1
"(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_CAS,17772,bmse000876,1
"(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_OPENEYE,17772,bmse000876,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC,17787,bmse000877,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC_TRADITIONAL,17787,bmse000877,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC_CAS,17787,bmse000877,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC_OPENEYE,17787,bmse000877,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC_SYSTEMATIC,17787,bmse000877,1
(2R)-5-oxopyrrolidine-2-carboxylic acid,PUBCHEM_IUPAC_NAME,17802,bmse000878,1
pyroglutamic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,17802,bmse000878,1
(2R)-5-oxopyrrolidine-2-carboxylic acid,PUBCHEM_IUPAC_OPENEYE_NAME,17802,bmse000878,1
(2R)-5-oxo-2-pyrrolidinecarboxylic acid,PUBCHEM_IUPAC_CAS_NAME,17802,bmse000878,1
(2R)-5-oxopyrrolidine-2-carboxylic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,17802,bmse000878,1
"[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate",PUBCHEM_IUPAC_NAME,17817,bmse000879,1
"[(2R,3S,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate",PUBCHEM_IUPAC_TRADITIONAL_NAME,17817,bmse000879,1
"[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate",PUBCHEM_IUPAC_OPENEYE_NAME,17817,bmse000879,1
"[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]methyl dihydrogen phosphate",PUBCHEM_IUPAC_CAS_NAME,17817,bmse000879,1
"[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",PUBCHEM_IUPAC_SYSTEMATIC_NAME,17817,bmse000879,1
undecanedioic acid,PUBCHEM_IUPAC_NAME,17833,bmse000880,1
undecanedioic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,17833,bmse000880,1
undecanedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,17833,bmse000880,1
undecanedioic acid,PUBCHEM_IUPAC_CAS_NAME,17833,bmse000880,1
undecanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,17833,bmse000880,1
"5,6-dimethyl-1H-benzimidazole",PUBCHEM_IUPAC_CAS_NAME,17847,bmse000881,1
"5,6-dimethyl-1H-benzimidazole",PUBCHEM_IUPAC_NAME,17847,bmse000881,1
"5,6-dimethyl-1H-benzimidazole",PUBCHEM_IUPAC_OPENEYE_NAME,17847,bmse000881,1
"5,6-dimethyl-1H-benzimidazole",PUBCHEM_IUPAC_SYSTEMATIC_NAME,17847,bmse000881,1
"5,6-dimethyl-1H-benzimidazole",PUBCHEM_IUPAC_TRADITIONAL_NAME,17847,bmse000881,1
"(3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC,17861,bmse000882,1
"(3S,4S,5R,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,17861,bmse000882,1
"(3S,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,17861,bmse000882,1
"(3S,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,17861,bmse000882,1
"(3S,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC,17875,bmse000883,1
"(3S,4S,5R)-2-methyloltetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,17875,bmse000883,1
"(3S,4S,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,17875,bmse000883,1
"(3S,4S,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,17875,bmse000883,1
"(3S,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC_SYSTEMATIC,17875,bmse000883,1
"(2S,3S)-2-amino-3-methyl-pentanoic acid",IUPAC,17889,bmse000884,1
(2S)-2-amino-3-hydroxy-propanoic acid,IUPAC,17903,bmse000885,1
"pentane-1,2,3,4,5-pentol",IUPAC,17917,bmse000886,1
"pentane-1,2,3,4,5-pentol",IUPAC_TRADITIONAL,17917,bmse000886,1
"pentane-1,2,3,4,5-pentol",IUPAC_CAS,17917,bmse000886,1
"pentane-1,2,3,4,5-pentol",IUPAC_OPENEYE,17917,bmse000886,1
"pentane-1,2,3,4,5-pentol",IUPAC_SYSTEMATIC,17917,bmse000886,1
4-aminobenzoic acid,IUPAC,17931,bmse000887,1
4-aminobenzoic acid,IUPAC_TRADITIONAL,17931,bmse000887,1
4-aminobenzoic acid,IUPAC_CAS,17931,bmse000887,1
4-aminobenzoic acid,IUPAC_OPENEYE,17931,bmse000887,1
4-aminobenzoic acid,IUPAC_SYSTEMATIC,17931,bmse000887,1
inosine,PUBCHEM_IUPAC_NAME,17945,bmse000888,1
inosine,PUBCHEM_IUPAC_TRADITIONAL_NAME,17945,bmse000888,1
inosine,PUBCHEM_IUPAC_OPENEYE_NAME,17945,bmse000888,1
inosine,PUBCHEM_IUPAC_CAS_NAME,17945,bmse000888,1
inosine,PUBCHEM_IUPAC_SYSTEMATIC_NAME,17945,bmse000888,1
"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol",IUPAC,17959,bmse000889,1
"(2R,3R,4S,5R,6S)-2-methylol-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_TRADITIONAL,17959,bmse000889,1
"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_CAS,17959,bmse000889,1
"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_OPENEYE,17959,bmse000889,1
"(3R,4S,5R,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-2,3,4-triol",IUPAC_SYSTEMATIC,17959,bmse000889,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC,17973,bmse000890,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC_OPENEYE,18434,bmse000921,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC_TRADITIONAL,17973,bmse000890,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC_CAS,17973,bmse000890,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC_OPENEYE,17973,bmse000890,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC_SYSTEMATIC,17973,bmse000890,1
4-(2-aminoethyl)phenol,IUPAC,17987,bmse000891,1
4-(2-aminoethyl)phenol,IUPAC_TRADITIONAL,17987,bmse000891,1
4-(2-aminoethyl)phenol,IUPAC_CAS,17987,bmse000891,1
4-(2-aminoethyl)phenol,IUPAC_OPENEYE,17987,bmse000891,1
4-(2-aminoethyl)phenol,IUPAC_SYSTEMATIC,17987,bmse000891,1
2-morpholin-4-ylethanesulfonic acid,PUBCHEM_IUPAC_NAME,18001,bmse000892,1
2-morpholinoethanesulfonic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,18001,bmse000892,1
2-morpholinoethanesulfonic acid,PUBCHEM_IUPAC_OPENEYE_NAME,18001,bmse000892,1
2-(4-morpholinyl)ethanesulfonic acid,PUBCHEM_IUPAC_CAS_NAME,18001,bmse000892,1
2-morpholin-4-ylethanesulfonic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,18001,bmse000892,1
3-morpholin-4-ylpropane-1-sulfonic acid,PUBCHEM_IUPAC_NAME,18015,bmse000893,1
3-morpholinopropane-1-sulfonic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,18015,bmse000893,1
3-morpholinopropane-1-sulfonic acid,PUBCHEM_IUPAC_OPENEYE_NAME,18015,bmse000893,1
3-(4-morpholinyl)-1-propanesulfonic acid,PUBCHEM_IUPAC_CAS_NAME,18015,bmse000893,1
3-morpholin-4-ylpropane-1-sulfonic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,18015,bmse000893,1
3-carboxypropyl(trimethyl)azanium,PUBCHEM_IUPAC_NAME,18029,bmse000894,1
3-carboxypropyl(trimethyl)ammonium,PUBCHEM_IUPAC_TRADITIONAL_NAME,18029,bmse000894,1
3-carboxypropyl(trimethyl)ammonium,PUBCHEM_IUPAC_OPENEYE_NAME,18029,bmse000894,1
3-carboxypropyl(trimethyl)ammonium,PUBCHEM_IUPAC_CAS_NAME,18029,bmse000894,1
trimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium,PUBCHEM_IUPAC_SYSTEMATIC_NAME,18029,bmse000894,1
acetamide,PUBCHEM_IUPAC_NAME,18043,bmse000895,1
acetamide,PUBCHEM_IUPAC_TRADITIONAL_NAME,18043,bmse000895,1
acetamide,PUBCHEM_IUPAC_OPENEYE_NAME,18043,bmse000895,1
acetamide,PUBCHEM_IUPAC_CAS_NAME,18043,bmse000895,1
ethanamide,PUBCHEM_IUPAC_SYSTEMATIC_NAME,18043,bmse000895,1
acetonitrile,PUBCHEM_IUPAC_NAME,18057,bmse000896,1
acetonitrile,PUBCHEM_IUPAC_TRADITIONAL_NAME,18057,bmse000896,1
acetonitrile,PUBCHEM_IUPAC_OPENEYE_NAME,18057,bmse000896,1
acetonitrile,PUBCHEM_IUPAC_CAS_NAME,18057,bmse000896,1
ethanenitrile,PUBCHEM_IUPAC_SYSTEMATIC_NAME,18057,bmse000896,1
"(2R)-2,5-diaminopentanoic acid",IUPAC,18071,bmse000897,1
"(2R)-2,5-diaminopentanoic acid",IUPAC_TRADITIONAL,18071,bmse000897,1
"(2R)-2,5-diaminopentanoic acid",IUPAC_CAS,18071,bmse000897,1
"(2R)-2,5-diaminopentanoic acid",IUPAC_OPENEYE,18071,bmse000897,1
"(2R)-2,5-diaminopentanoic acid",IUPAC_SYSTEMATIC,18071,bmse000897,1
"(2S,3R,4S,5R)-oxane-2,3,4,5-tetrol",IUPAC,18086,bmse000898,1
"(2S,3R,4S,5R)-tetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,18086,bmse000898,1
"(2S,3R,4S,5R)-tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,18086,bmse000898,1
"(2S,3R,4S,5R)-tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,18086,bmse000898,1
"(2S,3R,4S,5R)-oxane-2,3,4,5-tetrol",IUPAC_SYSTEMATIC,18086,bmse000898,1
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid,IUPAC,18101,bmse000899,1
(2S)-2-amino-5-guanidino-pentanoic acid,IUPAC_TRADITIONAL,18101,bmse000899,1
(2S)-2-amino-5-guanidino-pentanoic acid,IUPAC_CAS,18101,bmse000899,1
(2S)-2-amino-5-guanidino-pentanoic acid,IUPAC_OPENEYE,18101,bmse000899,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC,18115,bmse000900,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC_TRADITIONAL,18115,bmse000900,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC_CAS,18115,bmse000900,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC_OPENEYE,18115,bmse000900,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC_SYSTEMATIC,18115,bmse000900,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC,18129,bmse000901,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_TRADITIONAL,18129,bmse000901,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_CAS,18129,bmse000901,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_OPENEYE,18129,bmse000901,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_SYSTEMATIC,18129,bmse000901,1
"(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol",IUPAC,18143,bmse000902,1
"(2R,3S,4R,5R)-2,5-dimethyloltetrahydrofuran-2,3,4-triol",IUPAC_TRADITIONAL,18143,bmse000902,1
"(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3,4-triol",IUPAC_CAS,18143,bmse000902,1
"(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3,4-triol",IUPAC_OPENEYE,18143,bmse000902,1
"(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol",IUPAC_SYSTEMATIC,18143,bmse000902,1
"(3R,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC,18157,bmse000903,1
"(3R,4S,5R)-2-methyloltetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,18157,bmse000903,1
"(3R,4S,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,18157,bmse000903,1
"(3R,4S,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,18157,bmse000903,1
"(3R,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC_SYSTEMATIC,18157,bmse000903,1
2-hydroxybutanedioic acid,IUPAC,18172,bmse000904,1
2-hydroxysuccinic acid,IUPAC_TRADITIONAL,18172,bmse000904,1
2-hydroxybutanedioic acid,IUPAC_CAS,18172,bmse000904,1
2-hydroxybutanedioic acid,IUPAC_OPENEYE,18172,bmse000904,1
2-hydroxybutanedioic acid,IUPAC_SYSTEMATIC,18172,bmse000904,1
3-hydroxybutanoic acid,IUPAC,18186,bmse000905,1
3-hydroxybutanoic acid,IUPAC_TRADITIONAL,18186,bmse000905,1
3-hydroxybutanoic acid,IUPAC_CAS,18186,bmse000905,1
3-hydroxybutanoic acid,IUPAC_OPENEYE,18186,bmse000905,1
3-hydroxybutanoic acid,IUPAC_SYSTEMATIC,18186,bmse000905,1
(2S)-2-amino-4-[[(1R)-2-[(2R)-2-[[(4S)-4-amino-4-carboxy-butanoyl]amino]-2-(carboxymethylcarbamoyl)ethyl]disulfanyl-1-(carboxymethylcarbamoyl)ethyl]carbamoyl]butanoic acid,IUPAC,18201,bmse000906,1
(2S)-2-amino-4-[[[(1R)-2-[(2R)-2-[[(4S)-4-amino-4-carboxy-1-oxo-butyl]amino]-2-[(carboxymethylamino)-oxo-methyl]ethyl]disulfanyl-1-[(carboxymethylamino)-oxo-methyl]ethyl]amino]-oxo-methyl]butanoic acid,IUPAC_CAS,18201,bmse000906,1
"(2R,3R,4S,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",PUBCHEM_IUPAC_NAME,18216,bmse000907,1
"(2R,3R,4S,5R)-2-(6-chloropurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol",PUBCHEM_IUPAC_TRADITIONAL_NAME,18216,bmse000907,1
"(2R,3R,4S,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol",PUBCHEM_IUPAC_OPENEYE_NAME,18216,bmse000907,1
"(2R,3R,4S,5R)-2-(6-chloro-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol",PUBCHEM_IUPAC_CAS_NAME,18216,bmse000907,1
"(2R,3R,4S,5R)-2-(6-chloranylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,18216,bmse000907,1
"(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_NAME,18231,bmse000908,1
"(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,18231,bmse000908,1
"(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,18231,bmse000908,1
"(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_CAS_NAME,18231,bmse000908,1
"(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,18231,bmse000908,1
"4-(2-aminoethyl)benzene-1,2-diol",PUBCHEM_IUPAC_NAME,18251,bmse000909,1
4-(2-aminoethyl)pyrocatechol,PUBCHEM_IUPAC_TRADITIONAL_NAME,18251,bmse000909,1
"4-(2-aminoethyl)benzene-1,2-diol",PUBCHEM_IUPAC_OPENEYE_NAME,18251,bmse000909,1
"4-(2-aminoethyl)benzene-1,2-diol",PUBCHEM_IUPAC_CAS_NAME,18251,bmse000909,1
"4-(2-azanylethyl)benzene-1,2-diol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,18251,bmse000909,1
"(3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol",PUBCHEM_IUPAC_NAME,18270,bmse000910,1
"(3S,4S,5S,6R)-6-methylol-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2,4,5-triol",PUBCHEM_IUPAC_TRADITIONAL_NAME,18270,bmse000910,1
"(3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2,4,5-triol",PUBCHEM_IUPAC_OPENEYE_NAME,18270,bmse000910,1
"(3S,4S,5S,6R)-6-(hydroxymethyl)-3-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]oxane-2,4,5-triol",PUBCHEM_IUPAC_CAS_NAME,18270,bmse000910,1
"(3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-2,4,5-triol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,18270,bmse000910,1
"(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one",PUBCHEM_IUPAC_NAME,18289,bmse000911,1
"(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,18289,bmse000911,1
"(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one",PUBCHEM_IUPAC_OPENEYE_NAME,18289,bmse000911,1
"(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one",PUBCHEM_IUPAC_CAS_NAME,18289,bmse000911,1
"(6R)-2-azanyl-6-[(1R,2S)-1,2-bis(oxidanyl)propyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,18289,bmse000911,1
(2S)-2-amino-3-carbamoyl-propanoic acid,IUPAC,18308,bmse000912,1
(2S)-2-amino-3-aminocarbonyl-propanoic acid,IUPAC_SYSTEMATIC,18308,bmse000912,1
2-aminopentanedioic acid,IUPAC,18322,bmse000913,1
2-aminoglutaric acid,IUPAC_TRADITIONAL,18322,bmse000913,1
2-aminopentanedioic acid,IUPAC_CAS,18322,bmse000913,1
2-aminopentanedioic acid,IUPAC_OPENEYE,18322,bmse000913,1
2-aminopentanedioic acid,IUPAC_SYSTEMATIC,18322,bmse000913,1
"(2S)-2,6-diaminohexanoic acid",IUPAC,18336,bmse000914,1
(2S)-2-amino-4-methylsulfanyl-butanoic acid,IUPAC,18350,bmse000915,1
4-aminobenzoic acid,IUPAC,18364,bmse000916,1
4-aminobenzoic acid,IUPAC_TRADITIONAL,18364,bmse000916,1
4-aminobenzoic acid,IUPAC_CAS,18364,bmse000916,1
4-aminobenzoic acid,IUPAC_OPENEYE,18364,bmse000916,1
4-aminobenzoic acid,IUPAC_SYSTEMATIC,18364,bmse000916,1
2-aminobenzoic acid,IUPAC,18378,bmse000917,1
2-aminobenzoic acid,IUPAC_TRADITIONAL,18378,bmse000917,1
2-aminobenzoic acid,IUPAC_CAS,18378,bmse000917,1
2-aminobenzoic acid,IUPAC_OPENEYE,18378,bmse000917,1
2-aminobenzoic acid,IUPAC_SYSTEMATIC,18378,bmse000917,1
"(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",IUPAC,18392,bmse000918,1
"(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol",IUPAC_TRADITIONAL,18392,bmse000918,1
"(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol",IUPAC_CAS,18392,bmse000918,1
"(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol",IUPAC_OPENEYE,18392,bmse000918,1
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid,IUPAC,18406,bmse000919,1
(2S)-2-amino-5-guanidino-pentanoic acid,IUPAC_TRADITIONAL,18406,bmse000919,1
(2S)-2-amino-5-guanidino-pentanoic acid,IUPAC_CAS,18406,bmse000919,1
(2S)-2-amino-5-guanidino-pentanoic acid,IUPAC_OPENEYE,18406,bmse000919,1
(2S)-2-amino-4-methyl-pentanoic acid,IUPAC,18420,bmse000920,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC,18434,bmse000921,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC_TRADITIONAL,18434,bmse000921,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC_SYSTEMATIC,18434,bmse000921,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC,18448,bmse000922,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_TRADITIONAL,18448,bmse000922,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_CAS,18448,bmse000922,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_OPENEYE,18448,bmse000922,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_SYSTEMATIC,18448,bmse000922,1
"(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid",PUBCHEM_IUPAC_NAME,18462,bmse000923,1
"(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]propionic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,18462,bmse000923,1
"(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]propanoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,18462,bmse000923,1
"(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid",PUBCHEM_IUPAC_CAS_NAME,18462,bmse000923,1
"(2S)-2-azanyl-3-[4-[3,5-bis(iodanyl)-4-oxidanyl-phenoxy]-3,5-bis(iodanyl)phenyl]propanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,18462,bmse000923,1
"1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole",PUBCHEM_IUPAC_NAME,18482,bmse000924,1
"1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl)ethyl]imidazole",PUBCHEM_IUPAC_TRADITIONAL_NAME,18482,bmse000924,1
"1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole",PUBCHEM_IUPAC_OPENEYE_NAME,18482,bmse000924,1
"1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole",PUBCHEM_IUPAC_CAS_NAME,18482,bmse000924,1
"1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole",PUBCHEM_IUPAC_SYSTEMATIC_NAME,18482,bmse000924,1
nitrosobenzene,PUBCHEM_IUPAC_NAME,18502,bmse000925,1
nitrosobenzene,PUBCHEM_IUPAC_TRADITIONAL_NAME,18502,bmse000925,1
nitrosobenzene,PUBCHEM_IUPAC_OPENEYE_NAME,18502,bmse000925,1
nitrosobenzene,PUBCHEM_IUPAC_CAS_NAME,18502,bmse000925,1
nitrosobenzene,PUBCHEM_IUPAC_SYSTEMATIC_NAME,18502,bmse000925,1
(Z)-hexadec-9-enoic acid,PUBCHEM_IUPAC_NAME,18521,bmse000926,1
palmitoleic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,18521,bmse000926,1
(Z)-hexadec-9-enoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,18521,bmse000926,1
(Z)-9-hexadecenoic acid,PUBCHEM_IUPAC_CAS_NAME,18521,bmse000926,1
(Z)-hexadec-9-enoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,18521,bmse000926,1
"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid",PUBCHEM_IUPAC_NAME,18540,bmse000927,1
"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,18540,bmse000927,1
"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid",PUBCHEM_IUPAC_OPENEYE_NAME,18540,bmse000927,1
"2-[[(4R)-1-oxo-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]ethanesulfonic acid",PUBCHEM_IUPAC_CAS_NAME,18540,bmse000927,1
"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,18540,bmse000927,1
"dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate",PUBCHEM_IUPAC_NAME,18559,bmse000928,1
"N,N-dimethylcarbamodithioic acid (dimethylthiocarbamoylthio) ester",PUBCHEM_IUPAC_TRADITIONAL_NAME,18559,bmse000928,1
"dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate",PUBCHEM_IUPAC_OPENEYE_NAME,18559,bmse000928,1
"N,N-dimethylcarbamodithioic acid [[dimethylamino(sulfanylidene)methyl]thio] ester",PUBCHEM_IUPAC_CAS_NAME,18559,bmse000928,1
"dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate",PUBCHEM_IUPAC_SYSTEMATIC_NAME,18559,bmse000928,1
4-(2-aminoethyl)-2-methoxyphenol,PUBCHEM_IUPAC_NAME,18577,bmse000929,1
4-(2-aminoethyl)-2-methoxy-phenol,PUBCHEM_IUPAC_TRADITIONAL_NAME,18577,bmse000929,1
4-(2-aminoethyl)-2-methoxy-phenol,PUBCHEM_IUPAC_OPENEYE_NAME,18577,bmse000929,1
4-(2-aminoethyl)-2-methoxyphenol,PUBCHEM_IUPAC_CAS_NAME,18577,bmse000929,1
4-(2-azanylethyl)-2-methoxy-phenol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,18577,bmse000929,1
3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid,PUBCHEM_IUPAC_NAME,18596,bmse000930,1
3-hydroxy-2-methyl-5-methylol-isonicotinic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,18596,bmse000930,1
3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carboxylic acid,PUBCHEM_IUPAC_OPENEYE_NAME,18596,bmse000930,1
3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid,PUBCHEM_IUPAC_CAS_NAME,18596,bmse000930,1
5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carboxylic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,18596,bmse000930,1
(2S)-2-[[N'-[(4S)-4-amino-4-carboxybutyl]carbamimidoyl]amino]butanedioic acid,PUBCHEM_IUPAC_NAME,18616,bmse000931,1
(2S)-2-[[N'-[(4S)-4-amino-4-carboxy-butyl]amidino]amino]succinic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,18616,bmse000931,1
(2S)-2-[[N'-[(4S)-4-amino-4-carboxy-butyl]carbamimidoyl]amino]butanedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,18616,bmse000931,1
(2S)-2-[[amino-[(4S)-4-amino-4-carboxybutyl]iminomethyl]amino]butanedioic acid,PUBCHEM_IUPAC_CAS_NAME,18616,bmse000931,1
(2S)-2-[[N'-[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentyl]carbamimidoyl]amino]butanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,18616,bmse000931,1
2-amino-3-phosphonopropanoic acid,PUBCHEM_IUPAC_NAME,18635,bmse000932,1
2-amino-3-phosphono-propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,18635,bmse000932,1
2-amino-3-phosphono-propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,18635,bmse000932,1
2-amino-3-phosphonopropanoic acid,PUBCHEM_IUPAC_CAS_NAME,18635,bmse000932,1
2-azanyl-3-phosphono-propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,18635,bmse000932,1
"4-(2-aminoethyl)benzene-1,2-diol",PUBCHEM_IUPAC_NAME,18654,bmse000933,1
4-(2-aminoethyl)pyrocatechol,PUBCHEM_IUPAC_TRADITIONAL_NAME,18654,bmse000933,1
"4-(2-aminoethyl)benzene-1,2-diol",PUBCHEM_IUPAC_OPENEYE_NAME,18654,bmse000933,1
"4-(2-aminoethyl)benzene-1,2-diol",PUBCHEM_IUPAC_CAS_NAME,18654,bmse000933,1
"4-(2-azanylethyl)benzene-1,2-diol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,18654,bmse000933,1
"(2R)-2,3-diphosphonooxypropanoic acid",IUPAC,18675,bmse000934,1
"(2R)-2,3-diphosphonooxypropanoic acid",IUPAC_TRADITIONAL,18675,bmse000934,1
"(2R)-2,3-diphosphonooxypropanoic acid",IUPAC_CAS,18675,bmse000934,1
"(2R)-2,3-diphosphonooxypropanoic acid",IUPAC_OPENEYE,18675,bmse000934,1
"(2R)-2,3-diphosphonooxypropanoic acid",IUPAC_SYSTEMATIC,18675,bmse000934,1
"[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,18690,bmse000935,1
"[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,18690,bmse000935,1
"[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,18690,bmse000935,1
"[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,18690,bmse000935,1
"[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,18690,bmse000935,1
2-(4-aminobutyl)guanidine,IUPAC,18704,bmse000936,1
2-(4-aminobutyl)guanidine,IUPAC_TRADITIONAL,18704,bmse000936,1
2-(4-aminobutyl)guanidine,IUPAC_CAS,18704,bmse000936,1
2-(4-aminobutyl)guanidine,IUPAC_OPENEYE,18704,bmse000936,1
2-(4-aminobutyl)guanidine,IUPAC_SYSTEMATIC,18704,bmse000936,1
2-oxopentanedioic acid,IUPAC,18719,bmse000937,1
2-oxoglutaric acid,IUPAC_TRADITIONAL,18719,bmse000937,1
2-oxopentanedioic acid,IUPAC_CAS,18719,bmse000937,1
2-oxopentanedioic acid,IUPAC_OPENEYE,18719,bmse000937,1
2-oxopentanedioic acid,IUPAC_SYSTEMATIC,18719,bmse000937,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol",IUPAC,18734,bmse000938,1
"(2R,3S,4S,5R,6S)-2-methylol-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_TRADITIONAL,18734,bmse000938,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_CAS,18734,bmse000938,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_OPENEYE,18734,bmse000938,1
"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol",IUPAC,18749,bmse000939,1
"(2R,3R,4S,5R,6S)-2-methylol-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_TRADITIONAL,18749,bmse000939,1
"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_CAS,18749,bmse000939,1
"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_OPENEYE,18749,bmse000939,1
"(3R,4S,5R,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-2,3,4-triol",IUPAC_SYSTEMATIC,18749,bmse000939,1
"1H-pyrimidine-2,4-dione",IUPAC,18764,bmse000940,1
"1H-pyrimidine-2,4-quinone",IUPAC_TRADITIONAL,18764,bmse000940,1
"pyrimidine-2,4-diol",IUPAC_CAS,18764,bmse000940,1
"pyrimidine-2,4-diol",IUPAC_OPENEYE,18764,bmse000940,1
"pyrimidine-2,4-diol",IUPAC_SYSTEMATIC,18764,bmse000940,1
boric acid,PUBCHEM_IUPAC_NAME,18779,bmse000941,1
boric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,18779,bmse000941,1
boric acid,PUBCHEM_IUPAC_OPENEYE_NAME,18779,bmse000941,1
boric acid,PUBCHEM_IUPAC_CAS_NAME,18779,bmse000941,1
boric acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,18779,bmse000941,1
"9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one",PUBCHEM_IUPAC_NAME,18792,bmse000942,1
"9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,18792,bmse000942,1
"9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one",PUBCHEM_IUPAC_OPENEYE_NAME,18792,bmse000942,1
"9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one",PUBCHEM_IUPAC_CAS_NAME,18792,bmse000942,1
"9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,18792,bmse000942,1
2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid,PUBCHEM_IUPAC_NAME,18812,bmse000943,1
2-amino-3-(5-methoxy-1H-indol-3-yl)propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,18812,bmse000943,1
2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,18812,bmse000943,1
2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid,PUBCHEM_IUPAC_CAS_NAME,18812,bmse000943,1
2-azanyl-3-(5-methoxy-1H-indol-3-yl)propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,18812,bmse000943,1
ethyl 3-oxobutanoate,PUBCHEM_IUPAC_NAME,18831,bmse000944,1
3-ketobutyric acid ethyl ester,PUBCHEM_IUPAC_TRADITIONAL_NAME,18831,bmse000944,1
ethyl 3-oxobutanoate,PUBCHEM_IUPAC_OPENEYE_NAME,18831,bmse000944,1
3-oxobutanoic acid ethyl ester,PUBCHEM_IUPAC_CAS_NAME,18831,bmse000944,1
ethyl 3-oxidanylidenebutanoate,PUBCHEM_IUPAC_SYSTEMATIC_NAME,18831,bmse000944,1
2-phenylchromen-4-one,PUBCHEM_IUPAC_NAME,18850,bmse000945,1
flavone,PUBCHEM_IUPAC_TRADITIONAL_NAME,18850,bmse000945,1
2-phenylchromen-4-one,PUBCHEM_IUPAC_OPENEYE_NAME,18850,bmse000945,1
2-phenyl-1-benzopyran-4-one,PUBCHEM_IUPAC_CAS_NAME,18850,bmse000945,1
2-phenylchromen-4-one,PUBCHEM_IUPAC_SYSTEMATIC_NAME,18850,bmse000945,1
"(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol",IUPAC,18869,bmse000946,1
"(2R,3R,4S,5R,6R)-2-methylol-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_TRADITIONAL,18869,bmse000946,1
(2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_TRADITIONAL,19363,bmse000976,1
"(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_CAS,18869,bmse000946,1
"(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_OPENEYE,18869,bmse000946,1
"(3R,4S,5R,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-2,3,4-triol",IUPAC_SYSTEMATIC,18869,bmse000946,1
(2R)-pyrrolidine-2-carboxylic acid,IUPAC,18884,bmse000947,1
(2R)-pyrrolidine-2-carboxylic acid,IUPAC_TRADITIONAL,18884,bmse000947,1
(2R)-pyrrolidine-2-carboxylic acid,IUPAC_CAS,18884,bmse000947,1
(2R)-pyrrolidine-2-carboxylic acid,IUPAC_OPENEYE,18884,bmse000947,1
(2R)-pyrrolidine-2-carboxylic acid,IUPAC_SYSTEMATIC,18884,bmse000947,1
2-trimethylammonioacetate,IUPAC,18899,bmse000948,1
2-trimethylammonioacetate,IUPAC_TRADITIONAL,18899,bmse000948,1
2-trimethylammonioacetate,IUPAC_CAS,18899,bmse000948,1
2-trimethylammonioacetate,IUPAC_OPENEYE,18899,bmse000948,1
2-trimethylammonioethanoate,IUPAC_SYSTEMATIC,18899,bmse000948,1
3-hydroxy-4-trimethylammonio-butanoate,IUPAC,18914,bmse000949,1
3-hydroxy-4-trimethylammonio-butanoate,IUPAC_TRADITIONAL,18914,bmse000949,1
3-hydroxy-4-trimethylammonio-butanoate,IUPAC_CAS,18914,bmse000949,1
3-hydroxy-4-trimethylammonio-butanoate,IUPAC_OPENEYE,18914,bmse000949,1
3-hydroxy-4-trimethylammonio-butanoate,IUPAC_SYSTEMATIC,18914,bmse000949,1
2-(carbamimidoyl-methyl-amino)acetic acid,IUPAC,18929,bmse000950,1
2-(amidino-methyl-amino)acetic acid,IUPAC_TRADITIONAL,18929,bmse000950,1
2-(amidino-methyl-amino)acetic acid,IUPAC_CAS,18929,bmse000950,1
2-(amidino-methyl-amino)acetic acid,IUPAC_OPENEYE,18929,bmse000950,1
2-(carbamimidoyl-methyl-amino)ethanoic acid,IUPAC_SYSTEMATIC,18929,bmse000950,1
"N-(3-aminopropyl)butane-1,4-diamine",IUPAC,18944,bmse000951,1
2-amino-4-[[1-(carboxymethylcarbamoyl)-2-sulfanyl-ethyl]carbamoyl]butanoic acid,IUPAC,18959,bmse000952,1
2-amino-4-[[1-(carboxymethylcarbamoyl)-2-mercapto-ethyl]carbamoyl]butanoic acid,IUPAC_TRADITIONAL,18959,bmse000952,1
2-amino-4-[[[1-[(carboxymethylamino)-oxo-methyl]-2-mercapto-ethyl]amino]-oxo-methyl]butanoic acid,IUPAC_CAS,18959,bmse000952,1
2-amino-4-[[1-(carboxymethylcarbamoyl)-2-sulfanyl-ethyl]carbamoyl]butanoic acid,IUPAC_OPENEYE,18959,bmse000952,1
2-amino-4-[[1-(carboxymethylcarbamoyl)-2-sulfanyl-ethyl]carbamoyl]butanoic acid,IUPAC_SYSTEMATIC,18959,bmse000952,1
2-hydroxyethyl-trimethyl-azanium,IUPAC,18974,bmse000953,1
2-hydroxyethyl-trimethyl-ammonium,IUPAC_TRADITIONAL,18974,bmse000953,1
2-hydroxyethyl-trimethyl-ammonium,IUPAC_OPENEYE,18974,bmse000953,1
2-hydroxyethyl-trimethyl-ammonium,IUPAC_CAS,18974,bmse000953,1
2-hydroxyethyl-trimethyl-azanium,IUPAC_SYSTEMATIC,18974,bmse000953,1
"(2R)-2,3-diphosphonooxypropanoic acid",IUPAC,18989,bmse000954,1
"(2R)-2,3-diphosphonooxypropanoic acid",IUPAC_TRADITIONAL,18989,bmse000954,1
"(2R)-2,3-diphosphonooxypropanoic acid",IUPAC_CAS,18989,bmse000954,1
"(2R)-2,3-diphosphonooxypropanoic acid",IUPAC_OPENEYE,18989,bmse000954,1
"(2R)-2,3-diphosphonooxypropanoic acid",IUPAC_SYSTEMATIC,18989,bmse000954,1
"N-(3-aminopropyl)butane-1,4-diamine",IUPAC,19003,bmse000955,1
2-amino-4-[[1-(carboxymethylcarbamoyl)-2-sulfanyl-ethyl]carbamoyl]butanoic acid,IUPAC,19017,bmse000956,1
2-amino-4-[[1-(carboxymethylcarbamoyl)-2-mercapto-ethyl]carbamoyl]butanoic acid,IUPAC_TRADITIONAL,19017,bmse000956,1
2-amino-4-[[[1-[(carboxymethylamino)-oxo-methyl]-2-mercapto-ethyl]amino]-oxo-methyl]butanoic acid,IUPAC_CAS,19017,bmse000956,1
2-amino-4-[[1-(carboxymethylcarbamoyl)-2-sulfanyl-ethyl]carbamoyl]butanoic acid,IUPAC_OPENEYE,19017,bmse000956,1
2-amino-4-[[1-(carboxymethylcarbamoyl)-2-sulfanyl-ethyl]carbamoyl]butanoic acid,IUPAC_SYSTEMATIC,19017,bmse000956,1
5-Aminovaleric acid,PUBCHEM_IUPAC_NAME,19031,bmse000957,1
5-Aminovaleric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,19031,bmse000957,1
5-Aminovaleric acid,PUBCHEM_IUPAC_OPENEYE_NAME,19031,bmse000957,1
5-Aminovaleric acid,PUBCHEM_IUPAC_CAS_NAME,19031,bmse000957,1
5-Aminovaleric acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,19031,bmse000957,1
4-(2-aminoethyl)-2-methoxyphenol,PUBCHEM_IUPAC_NAME,19045,bmse000958,1
4-(2-aminoethyl)-2-methoxy-phenol,PUBCHEM_IUPAC_TRADITIONAL_NAME,19045,bmse000958,1
4-(2-aminoethyl)-2-methoxy-phenol,PUBCHEM_IUPAC_OPENEYE_NAME,19045,bmse000958,1
4-(2-aminoethyl)-2-methoxyphenol,PUBCHEM_IUPAC_CAS_NAME,19045,bmse000958,1
4-(2-azanylethyl)-2-methoxy-phenol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,19045,bmse000958,1
(2S)-2-[[N'-[(4S)-4-amino-4-carboxybutyl]carbamimidoyl]amino]butanedioic acid,PUBCHEM_IUPAC_NAME,19059,bmse000959,1
(2S)-2-[[N'-[(4S)-4-amino-4-carboxy-butyl]amidino]amino]succinic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,19059,bmse000959,1
(2S)-2-[[N'-[(4S)-4-amino-4-carboxy-butyl]carbamimidoyl]amino]butanedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,19059,bmse000959,1
(2S)-2-[[amino-[(4S)-4-amino-4-carboxybutyl]iminomethyl]amino]butanedioic acid,PUBCHEM_IUPAC_CAS_NAME,19059,bmse000959,1
(2S)-2-[[N'-[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentyl]carbamimidoyl]amino]butanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,19059,bmse000959,1
(3-acetylphenyl)boronic acid,PUBCHEM_IUPAC_NAME,19073,bmse000960,1
(3-acetylphenyl)boronic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,19073,bmse000960,1
(3-acetylphenyl)boronic acid,PUBCHEM_IUPAC_OPENEYE_NAME,19073,bmse000960,1
(3-acetylphenyl)boronic acid,PUBCHEM_IUPAC_CAS_NAME,19073,bmse000960,1
(3-ethanoylphenyl)boronic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,19073,bmse000960,1
"[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate",PUBCHEM_IUPAC_NAME,19092,bmse000961,1
"sulfuric acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester",PUBCHEM_IUPAC_TRADITIONAL_NAME,19092,bmse000961,1
"[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate",PUBCHEM_IUPAC_OPENEYE_NAME,19092,bmse000961,1
"sulfuric acid [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester",PUBCHEM_IUPAC_CAS_NAME,19092,bmse000961,1
"[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate",PUBCHEM_IUPAC_SYSTEMATIC_NAME,19092,bmse000961,1
"2,5-dihydroxybenzaldehyde",PUBCHEM_IUPAC_NAME,19112,bmse000962,1
"2,5-dihydroxybenzaldehyde",PUBCHEM_IUPAC_TRADITIONAL_NAME,19112,bmse000962,1
"2,5-dihydroxybenzaldehyde",PUBCHEM_IUPAC_OPENEYE_NAME,19112,bmse000962,1
"2,5-dihydroxybenzaldehyde",PUBCHEM_IUPAC_CAS_NAME,19112,bmse000962,1
"2,5-bis(oxidanyl)benzaldehyde",PUBCHEM_IUPAC_SYSTEMATIC_NAME,19112,bmse000962,1
(3R)-6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane,PUBCHEM_IUPAC_NAME,19132,bmse000963,1
(3R)-3-isopropenyl-6-methyl-7-oxabicyclo[4.1.0]heptane,PUBCHEM_IUPAC_TRADITIONAL_NAME,19132,bmse000963,1
(3R)-3-isopropenyl-6-methyl-7-oxabicyclo[4.1.0]heptane,PUBCHEM_IUPAC_OPENEYE_NAME,19132,bmse000963,1
(3R)-6-methyl-3-(1-methylethenyl)-7-oxabicyclo[4.1.0]heptane,PUBCHEM_IUPAC_CAS_NAME,19132,bmse000963,1
(3R)-6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane,PUBCHEM_IUPAC_SYSTEMATIC_NAME,19132,bmse000963,1
"(3E)-3,7-dimethylocta-1,3,6-triene",PUBCHEM_IUPAC_NAME,19151,bmse000964,1
"(3E)-3,7-dimethylocta-1,3,6-triene",PUBCHEM_IUPAC_TRADITIONAL_NAME,19151,bmse000964,1
"(3E)-3,7-dimethylocta-1,3,6-triene",PUBCHEM_IUPAC_OPENEYE_NAME,19151,bmse000964,1
"(3E)-3,7-dimethylocta-1,3,6-triene",PUBCHEM_IUPAC_CAS_NAME,19151,bmse000964,1
"(3E)-3,7-dimethylocta-1,3,6-triene",PUBCHEM_IUPAC_SYSTEMATIC_NAME,19151,bmse000964,1
"(3R,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC,19170,bmse000965,1
"(3R,4R,5R)-2-methyloltetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,19170,bmse000965,1
"(3R,4R,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,19170,bmse000965,1
"(3R,4R,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,19170,bmse000965,1
"(3R,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC_SYSTEMATIC,19170,bmse000965,1
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",IUPAC,19185,bmse000966,1
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",IUPAC_TRADITIONAL,19185,bmse000966,1
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",IUPAC_CAS,19185,bmse000966,1
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",IUPAC_OPENEYE,19185,bmse000966,1
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",IUPAC_SYSTEMATIC,19185,bmse000966,1
3-aminopropanoic acid,IUPAC,19200,bmse000967,1
3-aminopropanoic acid,IUPAC_TRADITIONAL,19200,bmse000967,1
3-aminopropanoic acid,IUPAC_CAS,19200,bmse000967,1
3-aminopropanoic acid,IUPAC_OPENEYE,19200,bmse000967,1
3-aminopropanoic acid,IUPAC_SYSTEMATIC,19200,bmse000967,1
butanedioic acid,IUPAC,19215,bmse000968,1
succinic acid,IUPAC_TRADITIONAL,19215,bmse000968,1
succinic acid,IUPAC_CAS,19215,bmse000968,1
succinic acid,IUPAC_OPENEYE,19215,bmse000968,1
"4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",IUPAC,19229,bmse000969,1
"4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one",IUPAC_TRADITIONAL,19229,bmse000969,1
"4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one",IUPAC_CAS,19229,bmse000969,1
"4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one",IUPAC_OPENEYE,19229,bmse000969,1
"4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",IUPAC_SYSTEMATIC,19229,bmse000969,1
octan-1-ol,PUBCHEM_IUPAC_NAME,19244,bmse000970,1
octan-1-ol,PUBCHEM_IUPAC_TRADITIONAL_NAME,19244,bmse000970,1
octan-1-ol,PUBCHEM_IUPAC_OPENEYE_NAME,19244,bmse000970,1
1-octanol,PUBCHEM_IUPAC_CAS_NAME,19244,bmse000970,1
octan-1-ol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,19244,bmse000970,1
3-morpholin-4-ylpropan-1-amine,PUBCHEM_IUPAC_NAME,19265,bmse000971,1
3-morpholinopropylamine,PUBCHEM_IUPAC_TRADITIONAL_NAME,19265,bmse000971,1
3-morpholinopropan-1-amine,PUBCHEM_IUPAC_OPENEYE_NAME,19265,bmse000971,1
3-(4-morpholinyl)-1-propanamine,PUBCHEM_IUPAC_CAS_NAME,19265,bmse000971,1
3-morpholin-4-ylpropan-1-amine,PUBCHEM_IUPAC_SYSTEMATIC_NAME,19265,bmse000971,1
butanal,PUBCHEM_IUPAC_NAME,19285,bmse000972,1
butyraldehyde,PUBCHEM_IUPAC_TRADITIONAL_NAME,19285,bmse000972,1
butanal,PUBCHEM_IUPAC_OPENEYE_NAME,19285,bmse000972,1
butanal,PUBCHEM_IUPAC_CAS_NAME,19285,bmse000972,1
butanal,PUBCHEM_IUPAC_SYSTEMATIC_NAME,19285,bmse000972,1
ethyl 4-aminobutanoate,PUBCHEM_IUPAC_NAME,19306,bmse000973,1
4-aminobutyric acid ethyl ester,PUBCHEM_IUPAC_TRADITIONAL_NAME,19306,bmse000973,1
ethyl 4-aminobutanoate,PUBCHEM_IUPAC_OPENEYE_NAME,19306,bmse000973,1
4-aminobutanoic acid ethyl ester,PUBCHEM_IUPAC_CAS_NAME,19306,bmse000973,1
ethyl 4-azanylbutanoate,PUBCHEM_IUPAC_SYSTEMATIC_NAME,19306,bmse000973,1
8-methyl-8-azabicyclo[3.2.1]octan-3-ol,PUBCHEM_IUPAC_NAME,19326,bmse000974,1
8-methyl-8-azabicyclo[3.2.1]octan-3-ol,PUBCHEM_IUPAC_TRADITIONAL_NAME,19326,bmse000974,1
8-methyl-8-azabicyclo[3.2.1]octan-3-ol,PUBCHEM_IUPAC_OPENEYE_NAME,19326,bmse000974,1
8-methyl-8-azabicyclo[3.2.1]octan-3-ol,PUBCHEM_IUPAC_CAS_NAME,19326,bmse000974,1
8-methyl-8-azabicyclo[3.2.1]octan-3-ol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,19326,bmse000974,1
(2R)-2-amino-3-sulfanyl-propanoic acid,IUPAC,19348,bmse000975,1
(2R)-2-amino-3-mercapto-propanoic acid,IUPAC_TRADITIONAL,19348,bmse000975,1
(2R)-2-amino-3-mercapto-propanoic acid,IUPAC_CAS,19348,bmse000975,1
(2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid,IUPAC,19363,bmse000976,1
(2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_CAS,19363,bmse000976,1
(2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_OPENEYE,19363,bmse000976,1
(2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_SYSTEMATIC,19363,bmse000976,1
2-aminoacetic acid,IUPAC,19377,bmse000977,1
2-aminoacetic acid,IUPAC_TRADITIONAL,19377,bmse000977,1
2-aminoacetic acid,IUPAC_CAS,19377,bmse000977,1
2-aminoacetic acid,IUPAC_OPENEYE,19377,bmse000977,1
2-aminoethanoic acid,IUPAC_SYSTEMATIC,19377,bmse000977,1
inosine,PUBCHEM_IUPAC_NAME,19392,bmse000978,1
inosine,PUBCHEM_IUPAC_TRADITIONAL_NAME,19392,bmse000978,1
inosine,PUBCHEM_IUPAC_OPENEYE_NAME,19392,bmse000978,1
inosine,PUBCHEM_IUPAC_CAS_NAME,19392,bmse000978,1
inosine,PUBCHEM_IUPAC_SYSTEMATIC_NAME,19392,bmse000978,1
(2S)-2-hydroxypropanoic acid,IUPAC,19407,bmse000979,1
lactic acid,IUPAC_TRADITIONAL,19407,bmse000979,1
lactic acid,IUPAC_CAS,19407,bmse000979,1
lactic acid,IUPAC_OPENEYE,19407,bmse000979,1
octan-1-ol,PUBCHEM_IUPAC_NAME,19422,bmse000980,1
octan-1-ol,PUBCHEM_IUPAC_TRADITIONAL_NAME,19422,bmse000980,1
octan-1-ol,PUBCHEM_IUPAC_OPENEYE_NAME,19422,bmse000980,1
1-octanol,PUBCHEM_IUPAC_CAS_NAME,19422,bmse000980,1
octan-1-ol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,19422,bmse000980,1
3-morpholin-4-ylpropan-1-amine,PUBCHEM_IUPAC_NAME,19436,bmse000981,1
3-morpholinopropylamine,PUBCHEM_IUPAC_TRADITIONAL_NAME,19436,bmse000981,1
3-morpholinopropan-1-amine,PUBCHEM_IUPAC_OPENEYE_NAME,19436,bmse000981,1
3-(4-morpholinyl)-1-propanamine,PUBCHEM_IUPAC_CAS_NAME,19436,bmse000981,1
3-morpholin-4-ylpropan-1-amine,PUBCHEM_IUPAC_SYSTEMATIC_NAME,19436,bmse000981,1
2-hydroxy-2-propan-2-ylbutanedioic acid,PUBCHEM_IUPAC_NAME,19451,bmse000982,1
2-hydroxy-2-isopropyl-succinic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,19451,bmse000982,1
2-hydroxy-2-isopropyl-butanedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,19451,bmse000982,1
2-hydroxy-2-propan-2-ylbutanedioic acid,PUBCHEM_IUPAC_CAS_NAME,19451,bmse000982,1
2-oxidanyl-2-propan-2-yl-butanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,19451,bmse000982,1
(2S)-3-acetyloxy-2-aminopropanoic acid,PUBCHEM_IUPAC_NAME,19471,bmse000983,1
(2S)-3-acetoxy-2-amino-propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,19471,bmse000983,1
(2S)-3-acetoxy-2-amino-propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,19471,bmse000983,1
(2S)-3-acetyloxy-2-aminopropanoic acid,PUBCHEM_IUPAC_CAS_NAME,19471,bmse000983,1
(2S)-3-acetyloxy-2-azanyl-propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,19471,bmse000983,1
6-chloro-7H-purin-2-amine,PUBCHEM_IUPAC_NAME,19490,bmse000984,1
(6-chloro-7H-purin-2-yl)amine,PUBCHEM_IUPAC_TRADITIONAL_NAME,19490,bmse000984,1
6-chloro-7H-purin-2-amine,PUBCHEM_IUPAC_OPENEYE_NAME,19490,bmse000984,1
6-chloro-7H-purin-2-amine,PUBCHEM_IUPAC_CAS_NAME,19490,bmse000984,1
6-chloranyl-7H-purin-2-amine,PUBCHEM_IUPAC_SYSTEMATIC_NAME,19490,bmse000984,1
"6-hydroxy-2-phenyl-2,3-dihydrochromen-4-one",PUBCHEM_IUPAC_NAME,19510,bmse000985,1
6-hydroxy-2-phenyl-chroman-4-one,PUBCHEM_IUPAC_TRADITIONAL_NAME,19510,bmse000985,1
6-hydroxy-2-phenyl-chroman-4-one,PUBCHEM_IUPAC_OPENEYE_NAME,19510,bmse000985,1
"6-hydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one",PUBCHEM_IUPAC_CAS_NAME,19510,bmse000985,1
"6-oxidanyl-2-phenyl-2,3-dihydrochromen-4-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,19510,bmse000985,1
"6,7-dihydroxychromen-2-one",PUBCHEM_IUPAC_NAME,19529,bmse000986,1
esculetin,PUBCHEM_IUPAC_TRADITIONAL_NAME,19529,bmse000986,1
"6,7-dihydroxychromen-2-one",PUBCHEM_IUPAC_OPENEYE_NAME,19529,bmse000986,1
"6,7-dihydroxy-1-benzopyran-2-one",PUBCHEM_IUPAC_CAS_NAME,19529,bmse000986,1
"6,7-bis(oxidanyl)chromen-2-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,19529,bmse000986,1
"(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_NAME,19544,bmse000987,1
"(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-17-glycoloyl-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,19544,bmse000987,1
"(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_OPENEYE_NAME,19544,bmse000987,1
"(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_CAS_NAME,19544,bmse000987,1
"(8S,9R,10S,11S,13S,14S,17R)-9-fluoranyl-10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,19544,bmse000987,1
"1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one",PUBCHEM_IUPAC_NAME,19559,bmse000988,1
"1-methyl-2,3,4,9-tetrahydro-$b-carbolin-7-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,19559,bmse000988,1
"1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one",PUBCHEM_IUPAC_OPENEYE_NAME,19559,bmse000988,1
"1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one",PUBCHEM_IUPAC_CAS_NAME,19559,bmse000988,1
"1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,19559,bmse000988,1
"4-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,2-dione",PUBCHEM_IUPAC_NAME,19578,bmse000989,1
"4-hydroxy-3-(3-methylbut-2-enyl)-1,2-naphthoquinone",PUBCHEM_IUPAC_TRADITIONAL_NAME,19578,bmse000989,1
"4-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,2-dione",PUBCHEM_IUPAC_OPENEYE_NAME,19578,bmse000989,1
"4-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,2-dione",PUBCHEM_IUPAC_CAS_NAME,19578,bmse000989,1
"3-(3-methylbut-2-enyl)-4-oxidanyl-naphthalene-1,2-dione",PUBCHEM_IUPAC_SYSTEMATIC_NAME,19578,bmse000989,1
5-aminopentanoic acid,PUBCHEM_IUPAC_NAME,19598,bmse000990,1
5-aminovaleric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,19598,bmse000990,1
5-aminopentanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,19598,bmse000990,1
5-aminopentanoic acid,PUBCHEM_IUPAC_CAS_NAME,19598,bmse000990,1
5-aminopentanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,19598,bmse000990,1
"[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,19613,bmse000991,1
"[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,19613,bmse000991,1
"[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,19613,bmse000991,1
"[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,19613,bmse000991,1
"[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,19613,bmse000991,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid",IUPAC,19627,bmse000992,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,19627,bmse000992,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_CAS,19627,bmse000992,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,19627,bmse000992,1
"[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,19641,bmse000993,1
"[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,19641,bmse000993,1
"[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,19641,bmse000993,1
"[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,19641,bmse000993,1
"[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,19641,bmse000993,1
(2S)-2-aminopropanoic acid,IUPAC,19655,bmse000994,1
7H-purin-6-amine,IUPAC,19669,bmse000995,1
7H-purin-6-amine,IUPAC_TRADITIONAL,19669,bmse000995,1
7H-purin-6-amine,IUPAC_CAS,19669,bmse000995,1
7H-purin-6-amine,IUPAC_OPENEYE,19669,bmse000995,1
7H-purin-6-amine,IUPAC_SYSTEMATIC,19669,bmse000995,1
"(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",IUPAC,19683,bmse000996,1
"(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol",IUPAC_TRADITIONAL,19683,bmse000996,1
"(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol",IUPAC_CAS,19683,bmse000996,1
"(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol",IUPAC_OPENEYE,19683,bmse000996,1
"(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",IUPAC_SYSTEMATIC,19683,bmse000996,1
2-trimethylammonioacetate,IUPAC,19697,bmse000997,1
2-trimethylammonioacetate,IUPAC_TRADITIONAL,19697,bmse000997,1
2-trimethylammonioacetate,IUPAC_CAS,19697,bmse000997,1
2-trimethylammonioacetate,IUPAC_OPENEYE,19697,bmse000997,1
2-trimethylammonioethanoate,IUPAC_SYSTEMATIC,19697,bmse000997,1
"(3R,4R)-3-(1-carboxyethenoxy)-4-hydroxy-cyclohexa-1,5-diene-1-carboxylic acid",IUPAC,19711,bmse000998,1
"(3R,4R)-3-(1-carboxyethenoxy)-4-hydroxy-cyclohexa-1,5-diene-1-carboxylic acid",IUPAC_TRADITIONAL,19711,bmse000998,1
"(3R,4R)-3-(1-carboxyethenoxy)-4-hydroxy-cyclohexa-1,5-diene-1-carboxylic acid",IUPAC_CAS,19711,bmse000998,1
"(3R,4R)-3-(1-carboxyethenoxy)-4-hydroxy-cyclohexa-1,5-diene-1-carboxylic acid",IUPAC_OPENEYE,19711,bmse000998,1
"(3R,4R)-3-(1-carboxyethenoxy)-4-hydroxy-cyclohexa-1,5-diene-1-carboxylic acid",IUPAC_SYSTEMATIC,19711,bmse000998,1
2-(carbamimidoyl-methyl-amino)acetic acid,IUPAC,19725,bmse000999,1
2-(amidino-methyl-amino)acetic acid,IUPAC_TRADITIONAL,19725,bmse000999,1
2-(amidino-methyl-amino)acetic acid,IUPAC_CAS,19725,bmse000999,1
2-(amidino-methyl-amino)acetic acid,IUPAC_OPENEYE,19725,bmse000999,1
2-(carbamimidoyl-methyl-amino)ethanoic acid,IUPAC_SYSTEMATIC,19725,bmse000999,1
2-acetamido-4-carbamoyl-butanoic acid,IUPAC,19739,bmse001000,1
2-acetamido-4-carbamoyl-butanoic acid,IUPAC_TRADITIONAL,19739,bmse001000,1
2-acetamido-4-carbamoyl-butanoic acid,IUPAC_CAS,19739,bmse001000,1
2-acetamido-4-carbamoyl-butanoic acid,IUPAC_OPENEYE,19739,bmse001000,1
2-acetamido-4-aminocarbonyl-butanoic acid,IUPAC_SYSTEMATIC,19739,bmse001000,1
2-amino-1-methyl-5H-imidazol-4-one,IUPAC,19753,bmse001001,1
2-amino-1-methyl-5H-imidazol-4-one,IUPAC_TRADITIONAL,19753,bmse001001,1
2-amino-1-methyl-5H-imidazol-4-one,IUPAC_CAS,19753,bmse001001,1
2-amino-1-methyl-5H-imidazol-4-one,IUPAC_OPENEYE,19753,bmse001001,1
2-amino-1-methyl-5H-imidazol-4-one,IUPAC_SYSTEMATIC,19753,bmse001001,1
2-(3-aminopropanoylamino)-3-(3H-imidazol-4-yl)propanoic acid,IUPAC,19767,bmse001002,1
2-(3-aminopropanoylamino)-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_TRADITIONAL,19767,bmse001002,1
2-[(3-amino-1-oxo-propyl)amino]-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_CAS,19767,bmse001002,1
2-(3-aminopropanoylamino)-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_OPENEYE,19767,bmse001002,1
2-(3-aminopropanoylamino)-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_SYSTEMATIC,19767,bmse001002,1
2-hydroxyethyl-trimethyl-azanium,IUPAC,19781,bmse001003,1
2-hydroxyethyl-trimethyl-ammonium,IUPAC_TRADITIONAL,19781,bmse001003,1
2-hydroxyethyl-trimethyl-ammonium,IUPAC_OPENEYE,19781,bmse001003,1
2-hydroxyethyl-trimethyl-ammonium,IUPAC_CAS,19781,bmse001003,1
2-hydroxyethyl-trimethyl-azanium,IUPAC_SYSTEMATIC,19781,bmse001003,1
2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid,PUBCHEM_IUPAC_NAME,19795,bmse001004,1
2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,19795,bmse001004,1
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,IUPAC_TRADITIONAL,19980,bmse001017,1
2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,19795,bmse001004,1
2-[(3-amino-1-oxopropyl)amino]-3-(3-methyl-4-imidazolyl)propanoic acid,PUBCHEM_IUPAC_CAS_NAME,19795,bmse001004,1
2-(3-azanylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,19795,bmse001004,1
"(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol",IUPAC,19809,bmse001005,1
"(2R,3S,4R,5R)-2,5-dimethyloltetrahydrofuran-2,3,4-triol",IUPAC_TRADITIONAL,19809,bmse001005,1
"(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3,4-triol",IUPAC_CAS,19809,bmse001005,1
"(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3,4-triol",IUPAC_OPENEYE,19809,bmse001005,1
"(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol",IUPAC_SYSTEMATIC,19809,bmse001005,1
"(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC,19824,bmse001006,1
"(2S,3R,4S,5S,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,19824,bmse001006,1
"(2S,3R,4S,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,19824,bmse001006,1
"(2S,3R,4S,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,19824,bmse001006,1
"(2S,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol",IUPAC,19839,bmse001007,1
"(2S,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol",IUPAC_TRADITIONAL,19839,bmse001007,1
"(2S,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol",IUPAC_CAS,19839,bmse001007,1
"(2S,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol",IUPAC_OPENEYE,19839,bmse001007,1
"(2S,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol",IUPAC_SYSTEMATIC,19839,bmse001007,1
"(3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC,19854,bmse001008,1
"(3R,4R,5R,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,19854,bmse001008,1
"(3R,4R,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,19854,bmse001008,1
"(3R,4R,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,19854,bmse001008,1
"(3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",IUPAC_SYSTEMATIC,19854,bmse001008,1
"(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_NAME,19869,bmse001009,1
"(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-17-glycoloyl-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,19869,bmse001009,1
"(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_OPENEYE_NAME,19869,bmse001009,1
"(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_CAS_NAME,19869,bmse001009,1
"(8S,9R,10S,11S,13S,14S,17R)-9-fluoranyl-10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,19869,bmse001009,1
"1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one",PUBCHEM_IUPAC_NAME,19883,bmse001010,1
"1-methyl-2,3,4,9-tetrahydro-$b-carbolin-7-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,19883,bmse001010,1
"1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one",PUBCHEM_IUPAC_OPENEYE_NAME,19883,bmse001010,1
"1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one",PUBCHEM_IUPAC_CAS_NAME,19883,bmse001010,1
"1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,19883,bmse001010,1
2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid,PUBCHEM_IUPAC_NAME,19897,bmse001011,1
2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,19897,bmse001011,1
2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,19897,bmse001011,1
2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid,PUBCHEM_IUPAC_CAS_NAME,19897,bmse001011,1
2-[2-[2-[2-[bis(2-hydroxy-2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(2-hydroxy-2-oxoethyl)amino]ethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,19897,bmse001011,1
"(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol",IUPAC,19910,bmse001012,1
"(2R,3S,4R,5R)-2,5-dimethyloltetrahydrofuran-2,3,4-triol",IUPAC_TRADITIONAL,19910,bmse001012,1
"(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3,4-triol",IUPAC_CAS,19910,bmse001012,1
"(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3,4-triol",IUPAC_OPENEYE,19910,bmse001012,1
"(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol",IUPAC_SYSTEMATIC,19910,bmse001012,1
2-aminopentanedioic acid,IUPAC,19924,bmse001013,1
2-aminoglutaric acid,IUPAC_TRADITIONAL,19924,bmse001013,1
2-aminopentanedioic acid,IUPAC_CAS,19924,bmse001013,1
2-aminopentanedioic acid,IUPAC_OPENEYE,19924,bmse001013,1
2-aminopentanedioic acid,IUPAC_SYSTEMATIC,19924,bmse001013,1
(2S)-2-amino-4-carbamoyl-butanoic acid,IUPAC,19938,bmse001014,1
2-amino-4-carbamoyl-butanoic acid,IUPAC_TRADITIONAL,19938,bmse001014,1
2-amino-4-carbamoyl-butanoic acid,IUPAC_CAS,19938,bmse001014,1
2-amino-4-carbamoyl-butanoic acid,IUPAC_OPENEYE,19938,bmse001014,1
(2S)-2-amino-4-aminocarbonyl-butanoic acid,IUPAC_SYSTEMATIC,19938,bmse001014,1
(2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid,IUPAC,19952,bmse001015,1
(2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_TRADITIONAL,19952,bmse001015,1
(2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_CAS,19952,bmse001015,1
(2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_OPENEYE,19952,bmse001015,1
(2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_SYSTEMATIC,19952,bmse001015,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC,19966,bmse001016,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC_TRADITIONAL,19966,bmse001016,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC_CAS,19966,bmse001016,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC_OPENEYE,19966,bmse001016,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC_SYSTEMATIC,19966,bmse001016,1
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,IUPAC,19980,bmse001017,1
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,IUPAC_CAS,19980,bmse001017,1
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,IUPAC_OPENEYE,19980,bmse001017,1
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,IUPAC_SYSTEMATIC,19980,bmse001017,1
"2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one",IUPAC,19994,bmse001018,1
"2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one",IUPAC_TRADITIONAL,19994,bmse001018,1
"2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one",IUPAC_CAS,19994,bmse001018,1
"2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one",IUPAC_OPENEYE,19994,bmse001018,1
"2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one",IUPAC_SYSTEMATIC,19994,bmse001018,1
3-aminopropanoic acid,IUPAC,20008,bmse001019,1
3-aminopropanoic acid,IUPAC_TRADITIONAL,20008,bmse001019,1
3-aminopropanoic acid,IUPAC_CAS,20008,bmse001019,1
3-aminopropanoic acid,IUPAC_OPENEYE,20008,bmse001019,1
3-aminopropanoic acid,IUPAC_SYSTEMATIC,20008,bmse001019,1
"4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",IUPAC,20022,bmse001020,1
"4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one",IUPAC_TRADITIONAL,20022,bmse001020,1
"4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one",IUPAC_CAS,20022,bmse001020,1
"4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one",IUPAC_OPENEYE,20022,bmse001020,1
"4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",IUPAC_SYSTEMATIC,20022,bmse001020,1
"(3R,5R,8S,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione",PUBCHEM_IUPAC_NAME,20036,bmse001021,1
"(3R,5R,8S,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-quinone",PUBCHEM_IUPAC_TRADITIONAL_NAME,20036,bmse001021,1
"(3R,5R,8S,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione",PUBCHEM_IUPAC_OPENEYE_NAME,20036,bmse001021,1
"(3R,5R,8S,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione",PUBCHEM_IUPAC_CAS_NAME,20036,bmse001021,1
"(3R,5R,8S,9S,10S,13S,14S)-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione",PUBCHEM_IUPAC_SYSTEMATIC_NAME,20036,bmse001021,1
"1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxypyridin-2-one",PUBCHEM_IUPAC_NAME,20051,bmse001022,1
"1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-4-hydroxy-2-pyridone",PUBCHEM_IUPAC_TRADITIONAL_NAME,20051,bmse001022,1
"1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-hydroxy-pyridin-2-one",PUBCHEM_IUPAC_OPENEYE_NAME,20051,bmse001022,1
"1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-hydroxy-2-pyridinone",PUBCHEM_IUPAC_CAS_NAME,20051,bmse001022,1
"1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-oxidanyl-pyridin-2-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,20051,bmse001022,1
"(3R,3aR,6R,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one",PUBCHEM_IUPAC_NAME,20066,bmse001023,1
"(3R,3aR,6R,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,20066,bmse001023,1
"(3R,3aR,6R,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one",PUBCHEM_IUPAC_OPENEYE_NAME,20066,bmse001023,1
"(3R,3aR,6R,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one",PUBCHEM_IUPAC_CAS_NAME,20066,bmse001023,1
"(3R,3aR,6R,6aR)-2,3,6-tris(oxidanyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,20066,bmse001023,1
"disodium;[[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate",PUBCHEM_IUPAC_NAME,20081,bmse001024,1
"disodium;[[(2R,3S,4R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] phosphate",PUBCHEM_IUPAC_TRADITIONAL_NAME,20081,bmse001024,1
"disodium;[[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] phosphate",PUBCHEM_IUPAC_OPENEYE_NAME,20081,bmse001024,1
"disodium;[[(2R,3S,4R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] [(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] phosphate",PUBCHEM_IUPAC_CAS_NAME,20081,bmse001024,1
"disodium;[[(2R,3S,4R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] phosphate",PUBCHEM_IUPAC_SYSTEMATIC_NAME,20081,bmse001024,1
2-hydroxy-2-propan-2-ylbutanedioic acid,PUBCHEM_IUPAC_NAME,20096,bmse001025,1
2-hydroxy-2-isopropyl-succinic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,20096,bmse001025,1
2-hydroxy-2-isopropyl-butanedioic acid,PUBCHEM_IUPAC_OPENEYE_NAME,20096,bmse001025,1
2-hydroxy-2-propan-2-ylbutanedioic acid,PUBCHEM_IUPAC_CAS_NAME,20096,bmse001025,1
2-oxidanyl-2-propan-2-yl-butanedioic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,20096,bmse001025,1
2-[[(2R)-2-formyloxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium,PUBCHEM_IUPAC_NAME,20110,bmse001026,1
2-[[(2R)-2-formyloxy-3-hydroxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium,PUBCHEM_IUPAC_TRADITIONAL_NAME,20110,bmse001026,1
2-[[(2R)-2-formyloxy-3-hydroxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium,PUBCHEM_IUPAC_OPENEYE_NAME,20110,bmse001026,1
2-[[(2R)-2-formyloxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium,PUBCHEM_IUPAC_CAS_NAME,20110,bmse001026,1
2-[[(2R)-2-methanoyloxy-3-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium,PUBCHEM_IUPAC_SYSTEMATIC_NAME,20110,bmse001026,1
"[(2R)-3-hexadecanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate",PUBCHEM_IUPAC_NAME,20123,bmse001027,1
"[(2R)-3-hexadecanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate",PUBCHEM_IUPAC_TRADITIONAL_NAME,20123,bmse001027,1
Isoeugenol,Beilstein,26767,bmse010052,1
"[(2R)-3-hexadecanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate",PUBCHEM_IUPAC_OPENEYE_NAME,20123,bmse001027,1
"[(2R)-3-(1-oxohexadecoxy)-2-[(9E,12E)-1-oxooctadeca-9,12-dienoxy]propyl] 2-(trimethylammonio)ethyl phosphate",PUBCHEM_IUPAC_CAS_NAME,20123,bmse001027,1
"[(2R)-3-hexadecanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate",PUBCHEM_IUPAC_SYSTEMATIC_NAME,20123,bmse001027,1
L-alpha-Phosphatidyl-DL-glycerol,PUBCHEM_IUPAC_NAME,20136,bmse001028,1
L-alpha-Phosphatidyl-DL-glycerol,PUBCHEM_IUPAC_TRADITIONAL_NAME,20136,bmse001028,1
L-alpha-Phosphatidyl-DL-glycerol,PUBCHEM_IUPAC_OPENEYE_NAME,20136,bmse001028,1
L-alpha-Phosphatidyl-DL-glycerol,PUBCHEM_IUPAC_CAS_NAME,20136,bmse001028,1
L-alpha-Phosphatidyl-DL-glycerol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,20136,bmse001028,1
4-chlorobenzaldehyde,PUBCHEM_IUPAC_NAME,20151,bmse001029,1
4-chlorobenzaldehyde,PUBCHEM_IUPAC_TRADITIONAL_NAME,20151,bmse001029,1
4-chlorobenzaldehyde,PUBCHEM_IUPAC_OPENEYE_NAME,20151,bmse001029,1
4-chlorobenzaldehyde,PUBCHEM_IUPAC_CAS_NAME,20151,bmse001029,1
4-chloranylbenzaldehyde,PUBCHEM_IUPAC_SYSTEMATIC_NAME,20151,bmse001029,1
chlorobenzene,PUBCHEM_IUPAC_NAME,20164,bmse001030,1
chlorobenzene,PUBCHEM_IUPAC_TRADITIONAL_NAME,20164,bmse001030,1
chlorobenzene,PUBCHEM_IUPAC_OPENEYE_NAME,20164,bmse001030,1
chlorobenzene,PUBCHEM_IUPAC_CAS_NAME,20164,bmse001030,1
chloranylbenzene,PUBCHEM_IUPAC_SYSTEMATIC_NAME,20164,bmse001030,1
2-(2-oxo-3H-furan-5-yl)acetate,PUBCHEM_IUPAC_CAS_NAME,20177,bmse001031,1
2-(2-oxo-3H-furan-5-yl)acetate,PUBCHEM_IUPAC_NAME,20177,bmse001031,1
2-(2-oxo-3H-furan-5-yl)acetate,PUBCHEM_IUPAC_OPENEYE_NAME,20177,bmse001031,1
2-(2-oxidanylidene-3H-furan-5-yl)ethanoate,PUBCHEM_IUPAC_SYSTEMATIC_NAME,20177,bmse001031,1
2-(2-keto-3H-furan-5-yl)acetate,PUBCHEM_IUPAC_TRADITIONAL_NAME,20177,bmse001031,1
"(3R,5R,8S,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione",PUBCHEM_IUPAC_NAME,20191,bmse001032,1
"(3R,5R,8S,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-quinone",PUBCHEM_IUPAC_TRADITIONAL_NAME,20191,bmse001032,1
"(3R,5R,8S,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione",PUBCHEM_IUPAC_OPENEYE_NAME,20191,bmse001032,1
"(3R,5R,8S,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione",PUBCHEM_IUPAC_CAS_NAME,20191,bmse001032,1
"(3R,5R,8S,9S,10S,13S,14S)-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione",PUBCHEM_IUPAC_SYSTEMATIC_NAME,20191,bmse001032,1
1-(4-Hydroxyphenyl)ethanol,Beilstein,25792,bmse010001,1
Apocynol,Beilstein,25812,bmse010002,1
"1-(4-Hydroxy-3,5-dimethoxyphenyl)ethanol",Beilstein,25832,bmse010003,1
"1-(3,4-Dimethoxyphenyl)ethanol",Beilstein,25852,bmse010004,1
p-Hydroxybenzaldehyde,Beilstein,25872,bmse010005,1
Vanillin,Beilstein,25892,bmse010006,1
Syringyl alcohol,Beilstein,25912,bmse010007,1
Methyl 4-acetoxybenzoate,Beilstein,25932,bmse010008,1
Methyl 4-hydroxybenzoate,Beilstein,25952,bmse010009,1
4-Hydroxy-3-methoxybenzyl alcohol,Beilstein,25972,bmse010010,1
"2,3-Diacetoxypropioveratrone",Beilstein,25992,bmse010011,1
p-Anisic acid,Beilstein,26012,bmse010012,1
"2-(2,6-Dimethoxyphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone",Beilstein,26032,bmse010013,1
Hydroxyphenylethanol diacetate,Beilstein,26052,bmse010014,1
4-acetoxybenzyl acetate,Beilstein,26072,bmse010015,1
Methyl-p-anisate,Beilstein,26092,bmse010016,1
"1-(4-acetoxy-3,5-dimethoxyphenyl)-2-(2,6-dmethoxyphenoxy)ethanone",Beilstein,26112,bmse010017,1
"1-(4-acetoxy-3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)ethanone",Beilstein,26132,bmse010018,1
Dehydrodivanillin,Beilstein,26152,bmse010019,1
Veratrylglycerol-B-syringol ether triacetate,Beilstein,26169,bmse010020,1
"1-(3,4-Dimethoxyphenyl)-2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]propane-1,3-diol",Beilstein,26189,bmse010021,1
Xylan,Beilstein,26209,bmse010022,1
Dihydroferulic Acid,Beilstein,26223,bmse010023,1
4-Methoxyacetophenone,Beilstein,26243,bmse010024,1
p-Methoxybenzyl alcohol,Beilstein,26263,bmse010025,1
Phenol,Beilstein,26283,bmse010026,1
Guaiacol,Beilstein,26303,bmse010027,1
p-Hydroxybenzyl alcohol,Beilstein,26323,bmse010028,1
"3,4-Dimethoxybenzyl alcohol",Beilstein,26343,bmse010029,1
p-Hydroxyacetophenone,Beilstein,26363,bmse010030,1
Acetovanillone,Beilstein,26383,bmse010031,1
Acetosyringone,Beilstein,26403,bmse010032,1
Acetoveratrone,Beilstein,26423,bmse010033,1
To be defined,Beilstein,26443,bmse010034,1
To be defined,Beilstein,26457,bmse010035,1
To be defined,Beilstein,26471,bmse010036,1
To be defined,Beilstein,26485,bmse010037,1
To be defined,Beilstein,26502,bmse010038,1
To be defined,Beilstein,26516,bmse010039,1
"1-(4-acetoxy-3,5-dimethoxyphenyl)-1,3-diacetoxy-2-[4-(1-acetoxyethyl)phenoxy] propane",Beilstein,26530,bmse010040,1
Guaiacylglycerol-B-guaiacyl ether,Beilstein,26550,bmse010041,1
Guaiacylglycerol-B-guaiacyl ether,Beilstein,26570,bmse010042,1
Acetylated acetovanillone,Beilstein,26590,bmse010043,1
Veratrylglycerol-B-guaiacyl ether,Beilstein,26610,bmse010044,1
Veratrylglycerol-B-guaiacyl ether,Beilstein,26630,bmse010045,1
Erone,Beilstein,26650,bmse010046,1
Vanillyl-B-D-Glucoside,Beilstein,26670,bmse010047,1
Acetylated ferulic acid,Beilstein,26687,bmse010048,1
Pinoresinol diacetate,Beilstein,26707,bmse010049,1
Veratrone,Beilstein,26727,bmse010050,1
acetylated isoeugenol,Beilstein,26747,bmse010051,1
"4-Allyl-2,6-dimethoxyphenol",Beilstein,26807,bmse010054,1
acetylated eugenol,Beilstein,26827,bmse010055,1
"1-(3,5-dimethoxy-4-acetoxyphenyl)-2-propene",Beilstein,26847,bmse010056,1
Syringylresinol,Beilstein,26867,bmse010057,1
Coniferin acetate,Beilstein,26887,bmse010058,1
Syringin acetate,Beilstein,26907,bmse010059,1
Syringylresinol diacetate,Beilstein,26927,bmse010060,1
cis - Ferulic Acid,Beilstein,26947,bmse010061,1
1-(4-hydroxyphenyl)-2-phenoxyethanol,Beilstein,26970,bmse010062,1
To be defined,Beilstein,26990,bmse010063,1
Dihydrocoumaric acid,Beilstein,27010,bmse010064,1
acetylated dihydrocoumaric acid,Beilstein,27030,bmse010065,1
acetylated coumaric acid,Beilstein,27050,bmse010066,1
"2-acetoxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one",Beilstein,27070,bmse010067,1
1-(4-hydroxy-3-methoxyphenyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]ethanol,Beilstein,27090,bmse010068,1
"1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]propane-1,3-diol",Beilstein,27110,bmse010069,1
"3-(4-hydroxy-3-methoxyphenyl)-2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]propan-1-ol",Beilstein,27130,bmse010070,1
Vinyl guaiacol,Beilstein,27150,bmse010071,1
1-Acetoxy-1-(4-acetoxy-3-methoxyphenyl)2-[4-(1-acetoxyethyl)phenoxy] ethane,Beilstein,27170,bmse010072,1
acetylated coniferylaldehyde,Beilstein,27190,bmse010073,1
acetylated coniferyl alcohol,Beilstein,27210,bmse010074,1
"3,4-dimethoxybenzylacetate",Beilstein,27230,bmse010075,1
coniferaldehyde,Beilstein,27250,bmse010076,1
"3,4-dimethoxycinnamyl alcohol",Beilstein,27270,bmse010077,1
"2-(4-Acetyl-2-methoxyphenoxy)-1-(3,4-dimethoxyphenyl)ethanone",Beilstein,27290,bmse010078,1
"1-(3,4-Dimethoxyphenyl)-2-(2-methoxyphenoxy)ethanol",Beilstein,27310,bmse010079,1
methyl 4-acetoxycinnamate,Beilstein,27330,bmse010080,1
acetylated methyl ferulate,Beilstein,27350,bmse010081,1
"3,4-dimethoxy cinnamaldehyde",Beilstein,27370,bmse010082,1
p-Coumaryl alcohol,Beilstein,27390,bmse010083,1
p-Coumaraldehyde,Beilstein,27407,bmse010084,1
Sinapaldehyde,Beilstein,27424,bmse010085,1
1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)- ethanone,Beilstein,27444,bmse010086,1
Acetylated sinapaldehyde,Beilstein,27464,bmse010087,1
"3,4,5-Trimethoxyacetophenone",Beilstein,27484,bmse010088,1
acetylated p-gluco cinnamic acid,Beilstein,27504,bmse010089,1
"3,4-dimethoxycinnamyl acetate",Beilstein,27524,bmse010090,1
Veratryl glycerol,Beilstein,27544,bmse010091,1
"1-(3,4-dimethoxyphenyl)-2,3-dihydroxypropan-1-one",Beilstein,27561,bmse010092,1
Erone diacetate,Beilstein,27578,bmse010093,1
Veratrone acetate,Beilstein,27595,bmse010094,1
Pinoresinol biphenyl,Beilstein,27615,bmse010095,1
Pinoresinol biphenyl acetate,Beilstein,27635,bmse010096,1
Ethyl vanillin,Beilstein,27655,bmse010097,1
Phenylcoumaran biphenyl acetate,Beilstein,27672,bmse010098,1
Phenyl coumaran biphenyl,Beilstein,27692,bmse010099,1
"1,2-diguaiacylpropane-1,3-diol",Beilstein,27712,bmse010100,1
4-acetoxy-acetophenone,Beilstein,27732,bmse010101,1
Vanillin acetate,Beilstein,27752,bmse010102,1
Syringic Acid Acetate,Beilstein,27772,bmse010103,1
Guaiacol acetate,Beilstein,27792,bmse010104,1
Acetosyringone acetate,Beilstein,27812,bmse010105,1
Sinapic acid acetate,Beilstein,27832,bmse010106,1
4-acetoxy-3-methoxy methyl benzoate,Beilstein,27852,bmse010107,1
G-b-S-c-CA,Lignin abbreviation,27872,bmse010108,1
G-b-S-c-CA (acetate),Lignin abbreviation,27892,bmse010109,1
G-b-S-r-S,Lignin abbreviation,27912,bmse010110,1
G-b-S-r-S (acetate),Lignin abbreviation,27932,bmse010111,1
S-b-SA (acetate),Lignin abbreviation,27952,bmse010112,1
S-b-CA (acetate),Lignin abbreviation,27972,bmse010113,1
S-c-CA (acetate),Lignin abbreviation,27992,bmse010114,1
G-b-SA acetate,Lignin abbreviation,28012,bmse010115,1
"2,6-dimethoxyphenol acetate",Beilstein,28032,bmse010116,1
phenol acetate,Beilstein,28052,bmse010117,1
"methyl (4-acetoxy-3,5-dimethoxy) benzoate",Beilstein,28072,bmse010118,1
4-acetoxy-3-methoxy benzoic acid,Beilstein,28092,bmse010119,1
S-b-S-b-SA (acetate),Beilstein,28112,bmse010120,1
G-b-S-r-S-b-G,Lignin abbreviation,28132,bmse010121,1
"1-(4-acetoxy-3,5-dimethoxyphenyl)-1-acetoxy ethane",Beilstein,28152,bmse010122,1
Acetylated Sinapic acid methyl ester,Beilstein,28172,bmse010123,1
G-b-S-r-S-b-G (acetate),Lignin abbreviation,28192,bmse010124,1
S-b-S-r-S,Lignin abbreviation,28212,bmse010125,1
S-b-S-r-S (acetate),Lignin abbreviation,28232,bmse010126,1
Vanillyl alcohol diacetate,Beilstein,28252,bmse010127,1
Syringyl alcohol diacetate,Beilstein,28272,bmse010128,1
1-(4-acetoxy-3-methoxyphenyl)-1-acetoxyethane,Beilstein,28292,bmse010129,1
4-methoxy benzaldehyde,Beilstein,28312,bmse010130,1
"1-(3,4-dimethoxyphenyl)-1-acetoxyethane",Beilstein,28332,bmse010131,1
4-methoxybenzyl alcohol acetate,Beilstein,28352,bmse010132,1
Syringaldehyde acetate,Beilstein,28372,bmse010133,1
4-Acetoxy benzaldehyde,Beilstein,28392,bmse010134,1
4-Acetoxy benzoic acid,Beilstein,28412,bmse010135,1
4-Methoxy benzyl alcohol,Beilstein,28432,bmse010136,1
1-(4-acetoxyphenyl)-1-acetoxy ethane,Beilstein,28452,bmse010137,1
Sinapyl alcohol diacetate,Beilstein,28472,bmse010138,1
Syringylgycerol-B-vanillyl alcohol ether,Beilstein,28492,bmse010139,1
Syringylgycerol-B-vanillyl alcohol ether tetra-acetate,Beilstein,28512,bmse010140,1
Guaiacylglycerol-B-guaiacyl ether acetate,Beilstein,28532,bmse010141,1
p-Methoxy cinnamaldehyde,Beilstein,28552,bmse010142,1
G-b-G-c-CA (acetate),Lignin abbreviation,28572,bmse010143,1
"3-(4-hydroxy-3-methoxyphenyl)-2-[2,6-dimethoxyphenoxy]propan-1-ol",Beilstein,28592,bmse010144,1
"Acetic acid 3-(4-acetoxy-3-methoxyphenyl)-2-[2,6-dimethoxyphenoxy] propyl ester",Beilstein,28612,bmse010145,1
p-Methoxy coumaryl alcohol,Beilstein,28632,bmse010146,1
p-Methoxy coumaryl alcohol acetate,Beilstein,28652,bmse010147,1
V-c-CA,Lignin abbreviation,28672,bmse010148,1
Coumaryl alcohol acetate,Beilstein,28692,bmse010149,1
4-acetoxy cinnamaldehyde,Beilstein,28712,bmse010150,1
"S-b-G-5,5-G-b-S (A = CH2)",Lignin abbreviation,28732,bmse010151,1
H-b-S,Lignin abbreviation,28752,bmse010152,1
G-bt-S-bt-G,Lignin abbreviation,28772,bmse010153,1
S-b-S,Lignin abbreviation,28792,bmse010154,1
S-b-S,Lignin abbreviation,28812,bmse010155,1
cis-coniferyl alcohol,Beilstein,28832,bmse010156,1
G-b-S,Lignin abbreviation,28852,bmse010157,1
G-b1-G,Lignin abbreviation,28872,bmse010158,1
G-c-G,Lignin abbreviation,28892,bmse010159,1
S-b-G-b1-G,Lignin abbreviation,28912,bmse010160,1
G-a-G-b-G,Lignin abbreviation,28932,bmse010161,1
H-c-G,Lignin abbreviation,28952,bmse010162,1
To be defined,Beilstein,28972,bmse010163,1
To be defined,Beilstein,28992,bmse010164,1
G-b-S-b-S,Lignin abbreviation,29012,bmse010165,1
To be defined,Beilstein,29032,bmse010166,1
To be defined,Beilstein,29046,bmse010167,1
To be defined,Beilstein,29060,bmse010168,1
To be defined,Beilstein,29074,bmse010169,1
To be defined,Beilstein,29088,bmse010170,1
Vanillin-a-G-b-CA,Beilstein,29102,bmse010171,1
To be defined,Beilstein,29119,bmse010172,1
S-b(t)-G-b(e)-S5,Lignin abbreviation,29139,bmse010173,1
"alpha,4-dihydroxy-3-methoxypropiophenone",Beilstein,29159,bmse010174,1
"alpha,4-diacetoxy-3-methoxypropiophenone",Beilstein,29179,bmse010175,1
S-a-S-b-S,Lignin abbreviation,29199,bmse010176,1
To be defined,Beilstein,29219,bmse010177,1
H-b-H5e,Lignin abbreviation,29236,bmse010178,1
H-b-H5t,Lignin abbreviation,29256,bmse010179,1
H-b-H5e,Lignin abbreviation,29276,bmse010180,1
H-b-H5t,Lignin abbreviation,29296,bmse010181,1
G-5-O-4-G,Lignin abbreviation,29316,bmse010182,1
G-5-O-4-G diacetate,Lignin abbreviation,29336,bmse010183,1
To be defined,Beilstein,29356,bmse010184,1
To be defined,Beilstein,29376,bmse010185,1
dihydro-coniferyl alcohol,Beilstein,29396,bmse010186,1
dihydro-coniferyl alcohol diacetate,Beilstein,29416,bmse010187,1
To be defined,Beilstein,29436,bmse010188,1
To be defined,Beilstein,29456,bmse010189,1
biphenyl methane,Beilstein,29476,bmse010190,1
To be defined,Beilstein,29496,bmse010191,1
"A-(4-hydroxy-3,5-dimethoxyphenyl)-glycerol",Beilstein,29516,bmse010192,1
To be defined,Beilstein,29536,bmse010193,1
4-O-5,Beilstein,29556,bmse010194,1
4-O-5,Beilstein,29576,bmse010195,1
To be defined,Beilstein,29596,bmse010196,1
"1-(3,5-dimethoxy-4-hydroxy)-propanol",Beilstein,29616,bmse010197,1
To be defined,Beilstein,29636,bmse010198,1
"1-(3,4,5-trimethoxyphenyl)-1-propanol",Beilstein,29656,bmse010199,1
To be defined,Beilstein,29676,bmse010200,1
To be defined,Beilstein,29696,bmse010201,1
To be defined,Beilstein,29716,bmse010202,1
Syringol,Beilstein,29736,bmse010203,1
Syringaldehyde,Beilstein,29756,bmse010204,1
Vanillic acid,Beilstein,29776,bmse010205,1
Syringic acid,Beilstein,29796,bmse010206,1
Veratric acid,Beilstein,29816,bmse010207,1
p-Coumaric acid,Beilstein,29836,bmse010208,1
Sinapinic acid,Beilstein,29853,bmse010209,1
"3,4-Dimethoxycinnamic acid",Beilstein,29870,bmse010210,1
Ferulic acid,Beilstein,29890,bmse010211,1
4-Methoxycinnamic acid,Beilstein,29910,bmse010212,1
Syringylglycol-B-guaiacyl ether,Beilstein,29930,bmse010213,1
"2-(4-Acetylphenoxy)-1-(3,4,5-trimethoxyphenyl)ethanone",Beilstein,29950,bmse010214,1
"2-(4-Acetyl-2-methoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)ethanone",Beilstein,29970,bmse010215,1
"2-(4-Acetyl-2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)ethanone",Beilstein,29990,bmse010216,1
Anisole,Beilstein,30010,bmse010217,1
"1,2,3-trimethoxybenzene",Beilstein,30030,bmse010218,1
Veratrole,Beilstein,30050,bmse010219,1
Veratraldehyde,Beilstein,30070,bmse010220,1
Methyl Sinapate,Beilstein,30090,bmse010221,1
Methyl p-Coumarate,Beilstein,30110,bmse010222,1
"methyl (3,4,5-trimethoxy)cinnamate",Beilstein,30130,bmse010223,1
"3,4,5-trimethoxy cinnamic acid",Beilstein,30150,bmse010224,1
Syringic acid methyl ester,Beilstein,30170,bmse010225,1
Vanillic acid methyl ester,Beilstein,30190,bmse010226,1
Dihydrodehydrodiisoeugenol,Beilstein,30210,bmse010227,1
Dehydrodiisoeugenol,Beilstein,30230,bmse010228,1
Methyl ferulate,Beilstein,30250,bmse010229,1
Methylveratrate,Beilstein,30270,bmse010230,1
"methyl 3,4-dimethoxycinnamate",Beilstein,30290,bmse010231,1
Dehydrodiveratraldehyde,Beilstein,30310,bmse010232,1
Dehydrodiveratric acid,Beilstein,30330,bmse010233,1
"2-(3,4-Dimethoxyphenyl)-7-methoxy-3-methyl-5-propyl-2,3-dihydrobenzofuran",Beilstein,30344,bmse010234,1
Guaiacylglycerol-B-guaiacyl ether triacetate,Beilstein,30364,bmse010235,1
To be defined,Beilstein,30384,bmse010236,1
To be defined,Beilstein,30404,bmse010237,1
To be defined,Beilstein,30424,bmse010238,1
To be defined,Beilstein,30444,bmse010239,1
"1-(4-acetoxy-3,5-dimethoxyphenyl)-2-(4-acetyl-2,6-dimethoxy phenoxy)-3-hydroxypropan-1-one",Beilstein,30464,bmse010240,1
"1-(4-acetoxy-3,5-dimethoxyphenyl)-2-(4-acetylphenoxy)-3-hydroxypropan-1-one",Beilstein,30484,bmse010241,1
"1-(4-acetoxy-3,5-dimethoxyphenyl)-2-(4-acetoxy-2-methoxyphenoxy)-3-hydroxypropan-1-one",Beilstein,30504,bmse010242,1
4-Acetoxycinnamic acid 3-acetoxy-3-(4-acetoxy- 3-methoxyphenyl)-2-(2-methoxyphenoxy)propyl ester,Beilstein,30524,bmse010243,1
4-Acetoxycinnamic acid 3-acetoxy-3-(4-acetoxy- 3-methoxyphenyl)-2-(2-methoxyphenoxy)propyl ester,Beilstein,30544,bmse010244,1
"3-(4-Acetoxy-3-methoxyphenyl)acrylic acid 4-[1,3-diacetoxy-2-(2-methoxyphenoxy)propyl]phenyl ester",Beilstein,30564,bmse010245,1
To be defined,Beilstein,30584,bmse010246,1
To be defined,Beilstein,30604,bmse010247,1
Coniferyl alcohol,Beilstein,30624,bmse010248,1
"1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propane-1,3-diol",Beilstein,30644,bmse010249,1
"1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]propane-1,3-diol",Beilstein,30664,bmse010250,1
Syringylglycerol-B-guaiacyl ether,Beilstein,30684,bmse010251,1
"1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[4-(1-hydroxyethyl)phenoxy]propane-1,3-diol",Beilstein,30704,bmse010252,1
"1-(4-acetoxy-3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one",Beilstein,30724,bmse010253,1
Phenyl benzoate,Beilstein,30744,bmse010254,1
Ethyl 4-hydroxybenzoate,Beilstein,30764,bmse010255,1
Cinnamyl alcohol,Beilstein,30784,bmse010256,1
Cinnamaldehyde,Beilstein,30804,bmse010257,1
"1-(4-acetoxy-3,5-dimethoxyphenyl)-1,3-diacetoxy-2-[4-(1-acetoxyethyl)-2-methoxyphenoxy]",Beilstein,30824,bmse010258,1
"1-(4-acetoxy-3,5-dimethoxyphenyl)-1,3-diacetoxy-2-[4-(1-acetoxyethyl)-2,6-dimethoxyphenoxy]propane",Beilstein,30844,bmse010259,1
"1-(4-acetoxy-3,5-dimethoxyphenyl)-1,3-diacetoxy-2-(2-methoxyphenoxy)propane",Beilstein,30864,bmse010260,1
To be defined,Beilstein,30884,bmse010261,1
To be defined,Beilstein,30898,bmse010262,1
To be defined,Beilstein,30912,bmse010263,1
To be defined,Beilstein,30926,bmse010264,1
To be defined,Beilstein,30940,bmse010265,1
To be defined,Beilstein,30954,bmse010266,1
To be defined,Beilstein,30968,bmse010267,1
To be defined,Beilstein,30982,bmse010268,1
To be defined,Beilstein,30996,bmse010269,1
To be defined,Beilstein,31010,bmse010270,1
To be defined,Beilstein,31024,bmse010271,1
To be defined,Beilstein,31038,bmse010272,1
To be defined,Beilstein,31052,bmse010273,1
To be defined,Beilstein,31066,bmse010274,1
To be defined,Beilstein,31080,bmse010275,1
To be defined,Beilstein,31094,bmse010276,1
"3-(4-acetoxyphenyl) acrylic acid 4-[1,3-diacetoxy-2- (2-methoxyphenoxy) propyl] phenyl ester",Beilstein,31108,bmse010277,1
"3-(4-acetoxyphenyl) acrylic acid 4-[1,3-diacetoxy-2- (2-methoxyphenoxy) propyl] phenyl ester",Beilstein,31122,bmse010278,1
To be defined,Beilstein,31136,bmse010279,1
To be defined,Beilstein,31150,bmse010280,1
Acetic acid 2-methoxy-4-[2-(2-methoxyphenoxy) acetyl] phenyl ester,Beilstein,31164,bmse010281,1
Acetic acid 4-[3-hydroxy-2-(2-methoxyphenoxy) propionyl]-2-methoxyphenyl ester,Beilstein,31178,bmse010282,1
Acetic acid 3-acetoxy-3-(4-hydroxy-3-methoxyphenyl) -2-(2-methoxyphenoxy) propyl ester,Beilstein,31192,bmse010283,1
Acetic acid 3-acetoxy-3-(4-hydroxy-3-methoxyphenyl) -2-(2-methoxyphenoxy) propyl ester,Beilstein,31206,bmse010284,1
coniferyl alcohol,Beilstein,31220,bmse010285,1
sinapyl alcohol,Beilstein,31240,bmse010286,1
p-coumaryl alcohol,Beilstein,31260,bmse010287,1
To be defined,Beilstein,31280,bmse010288,1
To be defined,Beilstein,31300,bmse010289,1
dilactone from ferulic acid,Beilstein,31320,bmse010290,1
coniferyl p-coumarate,Beilstein,31340,bmse010291,1
Guaiacylglycerol-B-coniferyl ether peracetate,Beilstein,31360,bmse010292,1
Guaiacyl glycerol-B-coniferyl ether peracetate,Beilstein,31380,bmse010293,1
"Guaiacylglycerol-A,B-bis-coniferyl ether",Beilstein,31400,bmse010294,1
3-(4-{3-Acetoxy-1-(4-acetoxy-3-methoxyphenyl)-2-[4-(3-acetoxypropenyl)-2-methoxyphenoxy]propoxy}-3-methoxyphenyl) acrylic acid ethyl ester,Beilstein,31420,bmse010295,1
beta-5-dehydrodiferulic acid,Beilstein,31440,bmse010296,1
Pinoresinol,Beilstein,31460,bmse010297,1
"Guaiacylglycerol-A,B-bis coniferyl ether acetate",Beilstein,31480,bmse010298,1
To be defined,Beilstein,31500,bmse010299,1
"4,4?-dihydroxy-3,3?-dimethoxy-B,B?-bicinnamic acid",Beilstein,31520,bmse010300,1
"G?-methoxy-4,4?-dihydroxy-3,3?-dimethoxy-B,B?-bicinnamic acid",Beilstein,31537,bmse010301,1
To be defined,Beilstein,31551,bmse010302,1
B-B-coupled dehydrodiferulic acid,Beilstein,31571,bmse010303,1
4-0-5-coupled dehydrodivanillin,Beilstein,31588,bmse010304,1
To be defined,Beilstein,31608,bmse010305,1
To be defined,Beilstein,31625,bmse010306,1
To be defined,Beilstein,31645,bmse010307,1
To be defined,Beilstein,31665,bmse010308,1
To be defined,Beilstein,31682,bmse010309,1
To be defined,Beilstein,31696,bmse010310,1
To be defined,Beilstein,31716,bmse010311,1
To be defined,Beilstein,31730,bmse010312,1
5-5 Dehydrodiferulate diethyl ester,Beilstein,31744,bmse010313,1
"5,5 Dehydrodiconiferyl Alcohol",Beilstein,31764,bmse010314,1
To be defined,Beilstein,31778,bmse010315,1
Dihydroconiferyl 4-hydroxydihydrocinnamate,Beilstein,31792,bmse010316,1
Dihydrosinapyl dihydro-p-coumarate,Beilstein,31812,bmse010317,1
Sinapyl p-coumarate,Beilstein,31832,bmse010318,1
"2-(4-Acetoxy-3,5-dimethoxybenzoyl)-2-(2-methoxyphenoxy)ethyl 4-acetoxycinnamate",Beilstein,31852,bmse010319,1
"1(4-acetoxy-3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanone",Beilstein,31872,bmse010320,1
To be defined,Beilstein,31886,bmse010321,1
Seco-isolariciresinol,Beilstein,31900,bmse010322,1
To be defined,Beilstein,31914,bmse010323,1
To be defined,Beilstein,31934,bmse010324,1
To be defined,Beilstein,31954,bmse010325,1
To be defined,Beilstein,31974,bmse010326,1
To be defined,Beilstein,31994,bmse010327,1
To be defined,Beilstein,32008,bmse010328,1
To be defined,Beilstein,32022,bmse010329,1
4-O-5 dehydrodiethylferulate,Beilstein,32042,bmse010330,1
To be defined,Beilstein,32056,bmse010331,1
4-O-5 dehydrodiferulic acid,Beilstein,32070,bmse010332,1
"1,2-diguaiacylpropane-1,3-diol",Beilstein,32087,bmse010333,1
"Acetic acid3-acetoxy-2,3-bis-(4-acetoxy-3-methoxyphenyl)propyl ester",Beilstein,32101,bmse010334,1
"Acetic acid3-acetoxy-2,3-bis-(4-acetoxy-3-methoxyphenyl)propyl ester",Beilstein,32115,bmse010335,1
To be defined,Beilstein,32129,bmse010336,1
To be defined,Beilstein,32143,bmse010337,1
To be defined,Beilstein,32160,bmse010338,1
"4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-1,3,3a,4,9,9a-hexahydronaphtho[2,3-c]furan-1,6-diol",Beilstein,32177,bmse010339,1
"4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-1,3,3a,4,9,9a-hexahydronaphtho[2,3-c]furan-1,6-diol",Beilstein,32191,bmse010340,1
To be defined,Beilstein,32205,bmse010341,1
"6-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3a,4,9,9a-tetrahydro-3H-naphtho[2,3-c]furan-1-one",Beilstein,32222,bmse010342,1
To be defined,Beilstein,32236,bmse010343,1
To be defined,Beilstein,32253,bmse010344,1
To be defined,Beilstein,32273,bmse010345,1
To be defined,Beilstein,32287,bmse010346,1
To be defined,Beilstein,32301,bmse010347,1
To be defined,Beilstein,32321,bmse010348,1
3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxy-4-propylphenoxy)propan-1-ol,Beilstein,32335,bmse010349,1
"2-(2,6-dimethoxy-4-propylphenoxy)-3-(4-hydroxy-3-methoxyphenyl)propan-1-ol",Beilstein,32355,bmse010350,1
"3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(2-methoxy-4-propylphenoxy)propan-1-ol",Beilstein,32375,bmse010351,1
"3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(2,5-dimethoxy-4-propylphenoxy)propan-1-ol",Beilstein,32395,bmse010352,1
beta-[4-(2-formylvinyl)-2-methoxyphenoxy] coniferyl aldehyde,Beilstein,32415,bmse010353,1
"5,5'-bis-coniferyl aldehyde",Beilstein,32429,bmse010354,1
To be defined,Beilstein,32443,bmse010355,1
To be defined,Beilstein,32457,bmse010356,1
To be defined,Beilstein,32471,bmse010357,1
To be defined,Beilstein,32485,bmse010358,1
To be defined,Beilstein,32499,bmse010359,1
To be defined,Beilstein,32513,bmse010360,1
To be defined,Beilstein,32527,bmse010361,1
To be defined,Beilstein,32541,bmse010362,1
To be defined,Beilstein,32555,bmse010363,1
To be defined,Beilstein,32569,bmse010364,1
To be defined,Beilstein,32583,bmse010365,1
To be defined,Beilstein,32600,bmse010366,1
To be defined,Beilstein,32614,bmse010367,1
6-methoxy-indan-5-ol,Beilstein,32628,bmse010368,1
To be defined,Beilstein,32642,bmse010369,1
To be defined,Beilstein,32656,bmse010370,1
To be defined,Beilstein,32670,bmse010371,1
To be defined,Beilstein,32684,bmse010372,1
To be defined,Beilstein,32698,bmse010373,1
To be defined,Beilstein,32712,bmse010374,1
To be defined,Beilstein,32726,bmse010375,1
Simulanol,Beilstein,32740,bmse010376,1
buddlenol E,Beilstein,32754,bmse010377,1
buddlenol A,Beilstein,32768,bmse010378,1
SP-(8-8)-S,Lignin abbreviation,32782,bmse010379,1
G-(8-O-4)-S,Lignin abbreviation,32796,bmse010380,1
nocomtal,Beilstein,32810,bmse010381,1
nocomtal,Beilstein,32824,bmse010382,1
G-(8-O-4)-5H??,Beilstein,32838,bmse010383,1
To be defined,Beilstein,32852,bmse010384,1
Veratrylglycerol-B-guaiacyl ether diacetate,Beilstein,32866,bmse010385,1
"2-(2,6-Dimethoxyphenoxy)-3-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one",Beilstein,32886,bmse010386,1
"1-(3,4-Dimethoxyphenyl)-2-[4-(1-hydroxyethyl) phenoxy] propane-1,3-diol",Beilstein,32906,bmse010387,1
"1,3-diacetoxy-1-(3,4-dimethoxyphenyl)-2-[4-(1-acetoxyethyl) phenoxy] propane",Beilstein,32926,bmse010388,1
"1,3-diacetoxy-1-(3,4-dimethoxyphenyl)-2-[4-(1-acetoxyethyl)-2-methoxyphenoxy] propane",Beilstein,32946,bmse010389,1
"1-(3,4-dimethoxyphenyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy] propane-1,3-diol",Beilstein,32966,bmse010390,1
4-hydroxybenzoic acid,Beilstein,32986,bmse010395,1
methyl (4-methoxy)cinnamate,Beilstein,33003,bmse010396,1
4-(3-hydroxy-1-propenyl)-2-methoxyphenyl-B-D-glucopyranoside,Beilstein,33023,bmse010420,1
"4-(3-hydroxy-1-propenyl)-2,6-dimethoxy-B-D-glucopyranoside",Beilstein,33037,bmse010421,1
A + B Xylose Acetate,Beilstein,33051,bmse010422,1
"1-(4-hydroxy-3-methoxyphenyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propane-1,3-diol",Beilstein,33071,bmse010423,1
"1-(4-hydroxy-3-methoxyphenyl)-2-[4-(1-hydroxyethyl)phenoxy]-propane-1,3-diol",Beilstein,33091,bmse010424,1
"1,3-diacetoxy-1-(4-acetoxy-3-methoxyphenyl)-2-[4-(1-acetoxyethyl)phenoxy] propane",Beilstein,33111,bmse010425,1
G-?-S5,Beilstein,33131,bmse010426,1
"1,3-diacetoxy-1-(4-acetoxy-3-methoxyphenyl)-2-[4-(1-acetoxyethyl)-2-methoxyphenoxy] propane",Beilstein,33151,bmse010427,1
p-Gluco cinnamyl alcohol,Beilstein,33171,bmse010428,1
"1,2-diguaiacylpropane-1,3-diol tetraacetate",Beilstein,33185,bmse010430,1
G-b-G,Beilstein,33205,bmse010432,1
S-b-S-AcO,Beilstein,33225,bmse010433,1
G-b-G-b1-G,Beilstein,33245,bmse010434,1
H-b?G,Beilstein,33265,bmse010435,1
H-b-G,Beilstein,33305,bmse010437,1
G-b-S,Beilstein,33325,bmse010438,1
S-b-S-OH,Beilstein,33345,bmse010439,1
G-b-H,Beilstein,33365,bmse010440,1
G-b-G,Beilstein,33385,bmse010441,1
H-b-S-OH,Beilstein,33405,bmse010442,1
Unnamed,Beilstein,33439,bmse010444,1
dihydrodiconiferyl alcohol,Beilstein,33453,bmse010445,1
dibenzodioxicin,Beilstein,33524,bmse010449,1
Veratryl alcohol methyl ether,Beilstein,33584,bmse010452,1
3-Methoxy-4-hydroxy stilbene carboxylic acid,Beilstein,33604,bmse010453,1
"beta-O-4, 5-O-4 trimer",Beilstein,33624,bmse010454,1
5-O-4 diacetovanillone,Beilstein,33644,bmse010455,1
guaiacyl chalcone,Beilstein,33664,bmse010456,1
"3,4,5-trimethoxy cinnamyl alcohol",Beilstein,33684,bmse010457,1
"4-[3-Hydroxymethyl-5-(3-hydroxypropenyl)-7-methoxy-2,3-dihydrobenzofuran-2-yl]-2-methoxyphenol",Beilstein,33704,bmse010458,1
"1,4-bis-(4-hydroxy-3-methoxypheny)l-1,3-butadiene",Beilstein,33724,bmse010459,1
coniferyl benzoate,Beilstein,33744,bmse010460,1
Guaiacylglycerol-B-coniferyl ether,Beilstein,33764,bmse010461,1
Guaiacylglycerol-B-coniferyl ether,Beilstein,33784,bmse010462,1
Veratryglycerol-alpha-dehydrodiconifyl-beta-con.ether,Beilstein,33804,bmse010463,1
3-(4-Hydroxy-3-methoxyphenyl)-2-[2-hydroxy-3-methoxy-5-(2-propoxycarbonylvinyl)phenyl] acrylic acid ethyl ester,Beilstein,33821,bmse010464,1
"3-[2-(4-Hydroxy-3-methoxyphenyl)-3-hydroxymethyl-7-methoxy-2,3-dihydrobenzofuran-5-yl] prop-2-enal",Beilstein,33841,bmse010465,1
Guaiacylglycerol-A-dehydrodiconiferyl-bis-ether peracetate diastereomeric mixture,Beilstein,33855,bmse010466,1
"Veratrylglycerol-?-dehydrodiconiferyl-?-coniferyl-bis-ether peracetate, diastereomeric mixture",Beilstein,33875,bmse010467,1
Guaiacylglycerol-A-pinoresinol-B-coniferyl-bis-ether diastereomeric mixture,Beilstein,33895,bmse010468,1
"4-cis-8-cis-bis (4-hydroxy-3-methoxyphenyl)-3,7-dioxabicylclo[3-3-0] octan-2-one diacetate",Beilstein,33909,bmse010469,1
"4-trans-8-cis-bis( 4-hydroxy-3-methoxyphenyl)-3,7-dioxabicyclo [3-3-0] octan-2-one",Beilstein,33929,bmse010470,1
"3,6-bis(4-hydroxy-3-methoxyphenyl)-tetrahydro-furo[3,4-c]furan-1-one",Beilstein,33946,bmse010471,1
"4-cis-8-cis-bis (4-hydroxy-3-methoxyphenyl)-3,7-dioxabicylclo[3-3-0] octan-2-one diacetate",Beilstein,33966,bmse010472,1
4-0-5 coupled dehydrovanillin / vanillyl alcohol,Beilstein,34037,bmse010476,1
"4-[3-Hydroxymethyl-5-(3-hydroxypropenyl)-7-methoxy-2,3-dihydrobenzofuran-2-yl]-1,2-dimethoxyphenyl",Beilstein,34130,bmse010483,1
"5-5, Dehydrodiferulic Acid",Beilstein,34175,bmse010486,1
Guaiacylglycerol-A-pinoresinol-B-coniferyl-bis-ether (Ac?d),Beilstein,34192,bmse010487,1
Isotaxiresinol,Beilstein,34252,bmse010490,1
gamma-p-coumaroylated syringylglycerol-beta04-guaiacol ether (Ac'd),Beilstein,34266,bmse010492,1
G-p-coumaroylated syringylglycerol-B04-guaiacyl ether,Beilstein,34283,bmse010493,1
G-p-coumaroylated syringylglycerol-B04-guiacol ether (Ac?d),Beilstein,34303,bmse010494,1
G-p-coumaroylated syringylglycerol-?04-guaiacyl ether,Beilstein,34323,bmse010495,1
"Acetic acid 3-acetoxy-2,3-bis-(4-acetoxy-3-methoxyphenyl)propyl ester",Beilstein,34357,bmse010497,1
"Acetic acid 3-acetoxy-3-(4-acetoxy-3-methoxyphenyl)-2-{4-[1,3-diacetoxy-2-(4-acetoxy-3-methoxyphenyl)propyl]-2-methoxyphenoxy} propyl ester",Beilstein,34388,bmse010499,1
"3-(4-{3-carboxyoxy-1-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-(2-methoxycarbonylvinyl)phenoxy]propoxy}phenyl)acrylic acid methyl ester",Beilstein,34402,bmse010502,1
"1-(4-benzyloxy-3-methoxyphenyl)-propane-1,3-diol",Beilstein,34416,bmse010504,1
beta-[5-(2-formylvinyl)-2-hydroxy-3-methoxyphenyl]coniferyl aldehyde,Beilstein,34430,bmse010505,1
"2,3-diformyl-1,4-bis(4-hydroxy-3-methoxyphenyl)buta-1,3-diene",Beilstein,34444,bmse010506,1
"2,3-bis-ethylsulfanyl-6-methoxy-1H-inden-5-ol",Beilstein,34472,bmse010508,1
S-(8-O-4)-G-(8-5)-G,Beilstein,34570,bmse010516,1
"Acetic acid 3-acetoxy-3-(4-acetoxy-3-methoxyphenyl)-2-{4-[1,3-diacetoxy-2-(4-acetoxy-3-methoxyphenyl)propyl]-2-methoxyphenoxy}",Beilstein,34584,bmse010517,1
"1-(3,4-dimethoxyphenyl)-2-(4-hydroxyphenoxy)propan-1,3-diol",Beilstein,34598,bmse010518,1
"1-(3,4-dimethoxyphenyl)-2-(4-carboxymethylphenoxy)propan-1,3-diol",Beilstein,34612,bmse010519,1
Guaiacylglycerol-B-syringyl ether,Beilstein,34629,bmse010520,1
S-b-G,Beilstein,34647,bmse010521,1
Androstenedione,PUBCHEM_IUPAC_NAME,34664,bmse500001,1
Androstenedione,PUBCHEM_IUPAC_TRADITIONAL_NAME,34664,bmse500001,1
Androstenedione,PUBCHEM_IUPAC_OPENEYE_NAME,34664,bmse500001,1
Androstenedione,PUBCHEM_IUPAC_CAS_NAME,34664,bmse500001,1
Androstenedione,PUBCHEM_IUPAC_SYSTEMATIC_NAME,34664,bmse500001,1
"propane-1,3-diamine",IUPAC,34676,bmst000001,1
"propane-1,3-diamine",IUPAC_TRADITIONAL,34676,bmst000001,1
"propane-1,3-diamine",IUPAC_CAS,34676,bmst000001,1
"propane-1,3-diamine",IUPAC_OPENEYE,34676,bmst000001,1
"propane-1,3-diamine",IUPAC_SYSTEMATIC,34676,bmst000001,1
"2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one",IUPAC,34686,bmst000002,1
"2-amino-9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one",IUPAC_TRADITIONAL,34686,bmst000002,1
"2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one",IUPAC_CAS,34686,bmst000002,1
"2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one",IUPAC_OPENEYE,34686,bmst000002,1
"2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one",IUPAC_SYSTEMATIC,34686,bmst000002,1
7H-purin-6-amine,IUPAC,34696,bmst000007,1
7H-purin-6-amine,IUPAC_TRADITIONAL,34696,bmst000007,1
7H-purin-6-amine,IUPAC_CAS,34696,bmst000007,1
7H-purin-6-amine,IUPAC_OPENEYE,34696,bmst000007,1
7H-purin-6-amine,IUPAC_SYSTEMATIC,34696,bmst000007,1
"(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",IUPAC,34706,bmst000008,1
"(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol",IUPAC_TRADITIONAL,34706,bmst000008,1
"(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol",IUPAC_CAS,34706,bmst000008,1
"(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol",IUPAC_OPENEYE,34706,bmst000008,1
"(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",IUPAC_SYSTEMATIC,34706,bmst000008,1
"pentane-1,2,3,4,5-pentol",IUPAC,34716,bmst000009,1
"pentane-1,2,3,4,5-pentol",IUPAC_TRADITIONAL,34716,bmst000009,1
"pentane-1,2,3,4,5-pentol",IUPAC_CAS,34716,bmst000009,1
"pentane-1,2,3,4,5-pentol",IUPAC_OPENEYE,34716,bmst000009,1
"pentane-1,2,3,4,5-pentol",IUPAC_SYSTEMATIC,34716,bmst000009,1
"[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,34726,bmst000010,1
"[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,34726,bmst000010,1
"[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,34726,bmst000010,1
"[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,34726,bmst000010,1
"[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,34726,bmst000010,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol",IUPAC,34736,bmst000019,1
"(2R,3S,4S,5R,6S)-2-methylol-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_TRADITIONAL,34736,bmst000019,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_CAS,34736,bmst000019,1
"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_OPENEYE,34736,bmst000019,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid",IUPAC,34746,bmst000022,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,34746,bmst000022,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_CAS,34746,bmst000022,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,34746,bmst000022,1
2-aminobenzoic acid,IUPAC,34756,bmst000023,1
2-aminobenzoic acid,IUPAC_TRADITIONAL,34756,bmst000023,1
2-aminobenzoic acid,IUPAC_CAS,34756,bmst000023,1
2-aminobenzoic acid,IUPAC_OPENEYE,34756,bmst000023,1
2-aminobenzoic acid,IUPAC_SYSTEMATIC,34756,bmst000023,1
"[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,34766,bmst000033,1
"[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,34766,bmst000033,1
"[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,34766,bmst000033,1
"[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,34766,bmst000033,1
"[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,34766,bmst000033,1
2-trimethylammonioacetate,IUPAC,34776,bmst000039,1
2-trimethylammonioacetate,IUPAC_TRADITIONAL,34776,bmst000039,1
2-trimethylammonioacetate,IUPAC_CAS,34776,bmst000039,1
2-trimethylammonioacetate,IUPAC_OPENEYE,34776,bmst000039,1
2-trimethylammonioethanoate,IUPAC_SYSTEMATIC,34776,bmst000039,1
"pentane-1,5-diamine",IUPAC,34786,bmst000051,1
"pentane-1,5-diamine",IUPAC_TRADITIONAL,34786,bmst000051,1
"pentane-1,5-diamine",IUPAC_CAS,34786,bmst000051,1
"pentane-1,5-diamine",IUPAC_OPENEYE,34786,bmst000051,1
"pentane-1,5-diamine",IUPAC_SYSTEMATIC,34786,bmst000051,1
"(1R,6R,7R,8R)-8-(6-aminopurin-9-yl)-4-hydroxy-4-oxo-3,5,9-trioxa-3λ5-phosphabicyclo[4.3.0]nonan-7-ol",IUPAC,34796,bmst000052,1
"(1R,6R,7R,8R)-8-(6-aminopurin-9-yl)-4-hydroxy-4-oxo-3,5,9-trioxa-3λ5-phosphabicyclo[4.3.0]nonan-7-ol",IUPAC_TRADITIONAL,34796,bmst000052,1
"(1R,6R,7R,8R)-8-(6-aminopurin-9-yl)-4-hydroxy-4-oxo-3,5,9-trioxa-3λ5-phosphabicyclo[4.3.0]nonan-7-ol",IUPAC_CAS,34796,bmst000052,1
"(1R,6R,7R,8R)-8-(6-aminopurin-9-yl)-4-hydroxy-4-oxo-3,5,9-trioxa-3λ5-phosphabicyclo[4.3.0]nonan-7-ol",IUPAC_OPENEYE,34796,bmst000052,1
"(1R,6R,7R,8R)-8-(6-aminopurin-9-yl)-4-hydroxy-4-oxo-3,5,9-trioxa-3λ5-phosphabicyclo[4.3.0]nonan-7-ol",IUPAC_SYSTEMATIC,34796,bmst000052,1
"(3R,4R)-3-(1-carboxyethenoxy)-4-hydroxy-cyclohexa-1,5-diene-1-carboxylic acid",IUPAC,34806,bmst000056,1
"(3R,4R)-3-(1-carboxyethenoxy)-4-hydroxy-cyclohexa-1,5-diene-1-carboxylic acid",IUPAC_TRADITIONAL,34806,bmst000056,1
"(3R,4R)-3-(1-carboxyethenoxy)-4-hydroxy-cyclohexa-1,5-diene-1-carboxylic acid",IUPAC_CAS,34806,bmst000056,1
"(3R,4R)-3-(1-carboxyethenoxy)-4-hydroxy-cyclohexa-1,5-diene-1-carboxylic acid",IUPAC_OPENEYE,34806,bmst000056,1
"(3R,4R)-3-(1-carboxyethenoxy)-4-hydroxy-cyclohexa-1,5-diene-1-carboxylic acid",IUPAC_SYSTEMATIC,34806,bmst000056,1
"2-hydroxypropane-1,2,3-tricarboxylic acid",IUPAC,34816,bmst000057,1
citric acid,IUPAC_TRADITIONAL,34816,bmst000057,1
citric acid,IUPAC_CAS,34816,bmst000057,1
citric acid,IUPAC_OPENEYE,34816,bmst000057,1
"2-hydroxypropane-1,2,3-tricarboxylic acid",IUPAC_SYSTEMATIC,34816,bmst000057,1
chromen-2-one,IUPAC,34826,bmst000058,1
chromen-2-one,IUPAC_TRADITIONAL,34826,bmst000058,1
chromen-2-one,IUPAC_CAS,34826,bmst000058,1
chromen-2-one,IUPAC_OPENEYE,34826,bmst000058,1
chromen-2-one,IUPAC_SYSTEMATIC,34826,bmst000058,1
2-(carbamimidoyl-methyl-amino)acetic acid,IUPAC,34836,bmst000059,1
2-(amidino-methyl-amino)acetic acid,IUPAC_TRADITIONAL,34836,bmst000059,1
2-(amidino-methyl-amino)acetic acid,IUPAC_CAS,34836,bmst000059,1
2-(amidino-methyl-amino)acetic acid,IUPAC_OPENEYE,34836,bmst000059,1
2-(carbamimidoyl-methyl-amino)ethanoic acid,IUPAC_SYSTEMATIC,34836,bmst000059,1
"2,5-dihydro-1H-pyrrole-2-carboxylic acid",IUPAC,34846,bmst000063,1
"2,5-dihydro-1H-pyrrole-2-carboxylic acid",IUPAC_TRADITIONAL,34846,bmst000063,1
"2,5-dihydro-1H-pyrrole-2-carboxylic acid",IUPAC_CAS,34846,bmst000063,1
"2,5-dihydro-1H-pyrrole-2-carboxylic acid",IUPAC_OPENEYE,34846,bmst000063,1
"2,5-dihydro-1H-pyrrole-2-carboxylic acid",IUPAC_SYSTEMATIC,34846,bmst000063,1
but-2-enedioic acid,IUPAC,34856,bmst000074,1
"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid",IUPAC,34866,bmst000076,1
"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid",IUPAC_TRADITIONAL,34866,bmst000076,1
"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid",IUPAC_CAS,34866,bmst000076,1
"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid",IUPAC_OPENEYE,34866,bmst000076,1
"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid",IUPAC_SYSTEMATIC,34866,bmst000076,1
2-aminoacetic acid,IUPAC,34876,bmst000084,1
2-aminoacetic acid,IUPAC_TRADITIONAL,34876,bmst000084,1
2-aminoacetic acid,IUPAC_CAS,34876,bmst000084,1
2-aminoacetic acid,IUPAC_OPENEYE,34876,bmst000084,1
2-aminoethanoic acid,IUPAC_SYSTEMATIC,34876,bmst000084,1
"2-amino-3,7-dihydropurin-6-one",IUPAC,34886,bmst000086,1
"2-amino-3,7-dihydropurin-6-one",IUPAC_TRADITIONAL,34886,bmst000086,1
"2-amino-3,7-dihydropurin-6-one",IUPAC_CAS,34886,bmst000086,1
"2-amino-3,7-dihydropurin-6-one",IUPAC_OPENEYE,34886,bmst000086,1
"2-amino-3,7-dihydropurin-6-one",IUPAC_SYSTEMATIC,34886,bmst000086,1
"2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one",IUPAC,34895,bmst000087,1
"2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one",IUPAC_TRADITIONAL,34895,bmst000087,1
"2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one",IUPAC_CAS,34895,bmst000087,1
"2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one",IUPAC_OPENEYE,34895,bmst000087,1
"2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one",IUPAC_SYSTEMATIC,34895,bmst000087,1
4-hydroxybenzoic acid,IUPAC,34905,bmst000089,1
4-hydroxybenzoic acid,IUPAC_TRADITIONAL,34905,bmst000089,1
4-hydroxybenzoic acid,IUPAC_CAS,34905,bmst000089,1
4-hydroxybenzoic acid,IUPAC_OPENEYE,34905,bmst000089,1
4-hydroxybenzoic acid,IUPAC_SYSTEMATIC,34905,bmst000089,1
3-(4-hydroxyphenyl)prop-2-enoic acid,IUPAC,34915,bmst000090,1
3-(4-hydroxyphenyl)acrylic acid,IUPAC_TRADITIONAL,34915,bmst000090,1
3-(4-hydroxyphenyl)prop-2-enoic acid,IUPAC_CAS,34915,bmst000090,1
3-(4-hydroxyphenyl)prop-2-enoic acid,IUPAC_OPENEYE,34915,bmst000090,1
3-(4-hydroxyphenyl)prop-2-enoic acid,IUPAC_SYSTEMATIC,34915,bmst000090,1
"3,7-dihydropurin-6-one",IUPAC,34925,bmst000091,1
"3,7-dihydropurin-6-one",IUPAC_TRADITIONAL,34925,bmst000091,1
"3,7-dihydropurin-6-one",IUPAC_CAS,34925,bmst000091,1
"3,7-dihydropurin-6-one",IUPAC_OPENEYE,34925,bmst000091,1
"3,7-dihydropurin-6-one",IUPAC_SYSTEMATIC,34925,bmst000091,1
"butane-1,2,3,4-tetrol",IUPAC,34935,bmst000092,1
"butane-1,2,3,4-tetrol",IUPAC_TRADITIONAL,34935,bmst000092,1
"butane-1,2,3,4-tetrol",IUPAC_CAS,34935,bmst000092,1
"butane-1,2,3,4-tetrol",IUPAC_OPENEYE,34935,bmst000092,1
"butane-1,2,3,4-tetrol",IUPAC_SYSTEMATIC,34935,bmst000092,1
1H-imidazole,IUPAC,34945,bmst000093,1
1H-imidazole,IUPAC_TRADITIONAL,34945,bmst000093,1
1H-imidazole,IUPAC_CAS,34945,bmst000093,1
1H-imidazole,IUPAC_OPENEYE,34945,bmst000093,1
1H-imidazole,IUPAC_SYSTEMATIC,34945,bmst000093,1
1H-indole,IUPAC,34955,bmst000094,1
1H-indole,IUPAC_TRADITIONAL,34955,bmst000094,1
1H-indole,IUPAC_CAS,34955,bmst000094,1
1H-indole,IUPAC_OPENEYE,34955,bmst000094,1
1H-indole,IUPAC_SYSTEMATIC,34955,bmst000094,1
"9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one",IUPAC,34965,bmst000095,1
"9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one",IUPAC_TRADITIONAL,34965,bmst000095,1
"9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one",IUPAC_CAS,34965,bmst000095,1
"9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one",IUPAC_OPENEYE,34965,bmst000095,1
"9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one",IUPAC_SYSTEMATIC,34965,bmst000095,1
(2S)-2-amino-5-(carbamoylamino)pentanoic acid,IUPAC,34975,bmst000097,1
(2S)-2-amino-5-ureido-pentanoic acid,IUPAC_TRADITIONAL,34975,bmst000097,1
(2S)-2-amino-5-ureido-pentanoic acid,IUPAC_CAS,34975,bmst000097,1
(2S)-2-amino-5-ureido-pentanoic acid,IUPAC_OPENEYE,34975,bmst000097,1
(2S)-2-amino-5-(aminocarbonylamino)pentanoic acid,IUPAC_SYSTEMATIC,34975,bmst000097,1
(2S)-2-amino-4-[(2S)-2-amino-2-carboxy-ethyl]sulfanyl-butanoic acid,IUPAC,34985,bmst000098,1
(2S)-2-amino-4-[(2S)-2-amino-2-carboxy-ethyl]thio-butanoic acid,IUPAC_TRADITIONAL,34985,bmst000098,1
(2S)-2-amino-4-[(2S)-2-amino-2-carboxy-ethyl]thio-butanoic acid,IUPAC_CAS,34985,bmst000098,1
(2S)-2-amino-4-[(2S)-2-amino-2-carboxy-ethyl]sulfanyl-butanoic acid,IUPAC_OPENEYE,34985,bmst000098,1
(2S)-2-amino-4-[(2S)-2-amino-2-carboxy-ethyl]sulfanyl-butanoic acid,IUPAC_SYSTEMATIC,34985,bmst000098,1
(2S)-2-amino-4-hydroxy-butanoic acid,IUPAC,34995,bmst000101,1
"butane-1,2,3,4-tetrol",IUPAC,35005,bmst000105,1
"butane-1,2,3,4-tetrol",IUPAC_TRADITIONAL,35005,bmst000105,1
"butane-1,2,3,4-tetrol",IUPAC_CAS,35005,bmst000105,1
"butane-1,2,3,4-tetrol",IUPAC_OPENEYE,35005,bmst000105,1
"butane-1,2,3,4-tetrol",IUPAC_SYSTEMATIC,35005,bmst000105,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC,35015,bmst000108,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_TRADITIONAL,35015,bmst000108,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_CAS,35015,bmst000108,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_OPENEYE,35015,bmst000108,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_SYSTEMATIC,35015,bmst000108,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC,35025,bmst000109,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_TRADITIONAL,35025,bmst000109,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_CAS,35025,bmst000109,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_OPENEYE,35025,bmst000109,1
"cyclohexane-1,2,3,4,5,6-hexol",IUPAC_SYSTEMATIC,35025,bmst000109,1
"N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide",IUPAC,35035,bmst000110,1
"N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide",IUPAC_TRADITIONAL,35035,bmst000110,1
"N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide",IUPAC_CAS,35035,bmst000110,1
"N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide",IUPAC_OPENEYE,35035,bmst000110,1
"N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",IUPAC_SYSTEMATIC,35035,bmst000110,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[[(2R,3R,4R,5R)-5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-phosphinic acid",IUPAC,35045,bmst000112,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[(2R,3R,4R,5R)-5-(5-carbamoyl-1-pyridyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-phosphinic acid",IUPAC_TRADITIONAL,35045,bmst000112,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[(2R,3R,4R,5R)-5-(5-carbamoyl-1-pyridyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-phosphinic acid",IUPAC_CAS,35045,bmst000112,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[(2R,3R,4R,5R)-5-(5-carbamoyl-1-pyridyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-phosphinic acid",IUPAC_OPENEYE,35045,bmst000112,1
"[[(2R,3R,4R,5R)-5-(5-aminocarbonylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]phosphinic acid",IUPAC_SYSTEMATIC,35045,bmst000112,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[[(2R,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid",IUPAC,35055,bmst000113,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[(2R,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid",IUPAC_TRADITIONAL,35055,bmst000113,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[(2R,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid",IUPAC_CAS,35055,bmst000113,1
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[(2R,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid",IUPAC_OPENEYE,35055,bmst000113,1
"[[(2R,3R,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]phosphinic acid",IUPAC_SYSTEMATIC,35055,bmst000113,1
"[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid",IUPAC,35065,bmst000114,1
"[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxyphosphonic acid",IUPAC_TRADITIONAL,35065,bmst000114,1
"[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxyphosphonic acid",IUPAC_CAS,35065,bmst000114,1
"[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxyphosphonic acid",IUPAC_OPENEYE,35065,bmst000114,1
"[(2R,3R,4R,5R)-5-[[[[(2R,3R,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-2-(6-aminopurin-9-yl)-4-hydroxy-oxolan-3-yl]oxyphosphonic acid",IUPAC_SYSTEMATIC,35065,bmst000114,1
pyridine-3-carboxylic acid,IUPAC,35075,bmst000115,1
nicotinic acid,IUPAC_TRADITIONAL,35075,bmst000115,1
nicotinic acid,IUPAC_CAS,35075,bmst000115,1
nicotinic acid,IUPAC_OPENEYE,35075,bmst000115,1
pyridine-3-carboxylic acid,IUPAC_SYSTEMATIC,35075,bmst000115,1
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine,IUPAC,35085,bmst000117,1
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine,IUPAC_TRADITIONAL,35085,bmst000117,1
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine,IUPAC_CAS,35085,bmst000117,1
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine,IUPAC_OPENEYE,35085,bmst000117,1
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine,IUPAC_SYSTEMATIC,35085,bmst000117,1
4-[(3S)-3-amino-3-carboxy-propoxy]-4-oxo-butanoic acid,IUPAC,35095,bmst000119,1
4-[(3S)-3-amino-3-carboxy-propoxy]-4-oxo-butanoic acid,IUPAC_TRADITIONAL,35095,bmst000119,1
4-[(3S)-3-amino-3-carboxy-propoxy]-4-oxo-butanoic acid,IUPAC_CAS,35095,bmst000119,1
4-[(3S)-3-amino-3-carboxy-propoxy]-4-oxo-butanoic acid,IUPAC_OPENEYE,35095,bmst000119,1
4-[(3S)-3-amino-3-carboxy-propoxy]-4-oxo-butanoic acid,IUPAC_SYSTEMATIC,35095,bmst000119,1
"1-(2-carboxy-2-oxo-ethyl)-4-hydroxy-cyclohexa-2,5-diene-1-carboxylic acid",IUPAC,35105,bmst000123,1
"butane-1,4-diamine",IUPAC,35115,bmst000125,1
3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde,IUPAC,35125,bmst000126,1
3-hydroxy-2-methyl-5-methylol-isonicotinaldehyde,IUPAC_TRADITIONAL,35125,bmst000126,1
3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carboxaldehyde,IUPAC_CAS,35125,bmst000126,1
3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde,IUPAC_OPENEYE,35125,bmst000126,1
3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde,IUPAC_SYSTEMATIC,35125,bmst000126,1
(4-formyl-5-hydroxy-6-methyl-pyridin-3-yl)methoxyphosphonic acid,IUPAC,35135,bmst000127,1
(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methoxyphosphonic acid,IUPAC_TRADITIONAL,35135,bmst000127,1
(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methoxyphosphonic acid,IUPAC_CAS,35135,bmst000127,1
(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methoxyphosphonic acid,IUPAC_OPENEYE,35135,bmst000127,1
(5-hydroxy-4-methanoyl-6-methyl-pyridin-3-yl)methoxyphosphonic acid,IUPAC_SYSTEMATIC,35135,bmst000127,1
"(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl-methyl-sulfonio]butanoate",IUPAC,35145,bmst000131,1
"(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-sulfonio]butanoate",IUPAC_TRADITIONAL,35145,bmst000131,1
"(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-sulfonio]butanoate",IUPAC_CAS,35145,bmst000131,1
"(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-sulfonio]butanoate",IUPAC_OPENEYE,35145,bmst000131,1
"(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl-methyl-sulfonio]butanoate",IUPAC_SYSTEMATIC,35145,bmst000131,1
"3,7-dihydropurine-2,6-dione",IUPAC,35155,bmst000151,1
"3,7-dihydropurine-2,6-quinone",IUPAC_TRADITIONAL,35155,bmst000151,1
"3,7-dihydropurine-2,6-dione",IUPAC_CAS,35155,bmst000151,1
"3,7-dihydropurine-2,6-dione",IUPAC_OPENEYE,35155,bmst000151,1
"3,7-dihydropurine-2,6-dione",IUPAC_SYSTEMATIC,35155,bmst000151,1
"1,3-dimethylurea",IUPAC,35165,bmst000154,1
"1,3-dimethylurea",IUPAC_TRADITIONAL,35165,bmst000154,1
"1,3-dimethylurea",IUPAC_CAS,35165,bmst000154,1
"1,3-dimethylurea",IUPAC_OPENEYE,35165,bmst000154,1
"1,3-dimethylurea",IUPAC_SYSTEMATIC,35165,bmst000154,1
"5-ethyl-1,3,4-thiadiazol-2-amine",IUPAC,35175,bmst000156,1
"5-ethyl-1,3,4-thiadiazol-2-amine",IUPAC_TRADITIONAL,35175,bmst000156,1
"5-ethyl-1,3,4-thiadiazol-2-amine",IUPAC_CAS,35175,bmst000156,1
"5-ethyl-1,3,4-thiadiazol-2-amine",IUPAC_OPENEYE,35175,bmst000156,1
"5-ethyl-1,3,4-thiadiazol-2-amine",IUPAC_SYSTEMATIC,35175,bmst000156,1
"[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,35184,bmst000158,1
"[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,35184,bmst000158,1
"[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,35184,bmst000158,1
"[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,35184,bmst000158,1
"[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,35184,bmst000158,1
3-hydroxybutanoic acid,IUPAC,35194,bmst000159,1
3-hydroxybutanoic acid,IUPAC_TRADITIONAL,35194,bmst000159,1
3-hydroxybutanoic acid,IUPAC_CAS,35194,bmst000159,1
3-hydroxybutanoic acid,IUPAC_OPENEYE,35194,bmst000159,1
3-hydroxybutanoic acid,IUPAC_SYSTEMATIC,35194,bmst000159,1
2-morpholin-4-ylethanamine,IUPAC,35204,bmst000160,1
"4-amino-1,5-dimethyl-2-phenyl-pyrazol-3-one",IUPAC,35214,bmst000161,1
"4-amino-1,5-dimethyl-2-phenyl-pyrazol-3-one",IUPAC_TRADITIONAL,35214,bmst000161,1
"4-amino-1,5-dimethyl-2-phenyl-pyrazol-3-one",IUPAC_CAS,35214,bmst000161,1
"4-amino-1,5-dimethyl-2-phenyl-pyrazol-3-one",IUPAC_OPENEYE,35214,bmst000161,1
"4-amino-1,5-dimethyl-2-phenyl-pyrazol-3-one",IUPAC_SYSTEMATIC,35214,bmst000161,1
4-aminobenzoic acid,IUPAC,35224,bmst000162,1
4-aminobenzoic acid,IUPAC_TRADITIONAL,35224,bmst000162,1
4-aminobenzoic acid,IUPAC_CAS,35224,bmst000162,1
4-aminobenzoic acid,IUPAC_OPENEYE,35224,bmst000162,1
4-aminobenzoic acid,IUPAC_SYSTEMATIC,35224,bmst000162,1
4-(2-hydroxyethyl)phenol,IUPAC,35234,bmst000163,1
4-(2-hydroxyethyl)phenol,IUPAC_TRADITIONAL,35234,bmst000163,1
4-(2-hydroxyethyl)phenol,IUPAC_CAS,35234,bmst000163,1
4-(2-hydroxyethyl)phenol,IUPAC_OPENEYE,35234,bmst000163,1
4-(2-hydroxyethyl)phenol,IUPAC_SYSTEMATIC,35234,bmst000163,1
N-(3-amino-4-chloro-phenyl)acetamide,IUPAC,35244,bmst000164,1
N-(3-amino-4-chloro-phenyl)acetamide,IUPAC_TRADITIONAL,35244,bmst000164,1
N-(3-amino-4-chloro-phenyl)acetamide,IUPAC_CAS,35244,bmst000164,1
N-(3-amino-4-chloro-phenyl)acetamide,IUPAC_OPENEYE,35244,bmst000164,1
N-(3-amino-4-chloro-phenyl)ethanamide,IUPAC_SYSTEMATIC,35244,bmst000164,1
"(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-phosphonooxy-hexanoic acid",IUPAC,35254,bmst000165,1
2-(carbamoylmethyl-(carboxymethyl)amino)acetic acid,IUPAC,35264,bmst000166,1
2-(aminocarbonylmethyl-(carboxymethyl)amino)ethanoic acid,IUPAC_SYSTEMATIC,35264,bmst000166,1
"2,3-dihydroxypropoxyphosphonic acid",IUPAC,35274,bmst000167,1
glyceryloxyphosphonic acid,IUPAC_TRADITIONAL,35274,bmst000167,1
"2,3-dihydroxypropoxyphosphonic acid",IUPAC_CAS,35274,bmst000167,1
"2,3-dihydroxypropoxyphosphonic acid",IUPAC_OPENEYE,35274,bmst000167,1
"2,3-dihydroxypropoxyphosphonic acid",IUPAC_SYSTEMATIC,35274,bmst000167,1
(2S)-piperidine-2-carboxylic acid,IUPAC,35284,bmst000168,1
(2S)-piperidine-2-carboxylic acid,IUPAC_TRADITIONAL,35284,bmst000168,1
(2S)-piperidine-2-carboxylic acid,IUPAC_CAS,35284,bmst000168,1
(2S)-piperidine-2-carboxylic acid,IUPAC_OPENEYE,35284,bmst000168,1
(2S)-piperidine-2-carboxylic acid,IUPAC_SYSTEMATIC,35284,bmst000168,1
2-amino-3-hydroxy-propanoic acid,IUPAC,35294,bmst000169,1
2-amino-3-hydroxy-propanoic acid,IUPAC_TRADITIONAL,35294,bmst000169,1
2-amino-3-hydroxy-propanoic acid,IUPAC_CAS,35294,bmst000169,1
2-amino-3-hydroxy-propanoic acid,IUPAC_OPENEYE,35294,bmst000169,1
2-amino-3-hydroxy-propanoic acid,IUPAC_SYSTEMATIC,35294,bmst000169,1
(2R)-2-hydroxy-3-phosphonooxy-propanoic acid,IUPAC,35304,bmst000170,1
"2,3-dihydroxypropanal",IUPAC,35314,bmst000171,1
"2,3-dihydroxypropanal",IUPAC_TRADITIONAL,35314,bmst000171,1
"2,3-dihydroxypropanal",IUPAC_CAS,35314,bmst000171,1
"2,3-dihydroxypropanal",IUPAC_OPENEYE,35314,bmst000171,1
"2,3-dihydroxypropanal",IUPAC_SYSTEMATIC,35314,bmst000171,1
(2R)-2-aminopropanoic acid,IUPAC,35324,bmst000172,1
3-hydroxy-4-trimethylammonio-butanoate,IUPAC,35334,bmst000173,1
3-hydroxy-4-trimethylammonio-butanoate,IUPAC_TRADITIONAL,35334,bmst000173,1
3-hydroxy-4-trimethylammonio-butanoate,IUPAC_CAS,35334,bmst000173,1
3-hydroxy-4-trimethylammonio-butanoate,IUPAC_OPENEYE,35334,bmst000173,1
3-hydroxy-4-trimethylammonio-butanoate,IUPAC_SYSTEMATIC,35334,bmst000173,1
"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol",IUPAC,35344,bmst000174,1
"(2R,3R,4S,5R,6S)-2-methylol-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_TRADITIONAL,35344,bmst000174,1
"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_CAS,35344,bmst000174,1
"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol",IUPAC_OPENEYE,35344,bmst000174,1
"(3R,4S,5R,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-2,3,4-triol",IUPAC_SYSTEMATIC,35344,bmst000174,1
2-amino-5-(carbamoylamino)pentanoic acid,IUPAC,35354,bmst000175,1
2-amino-5-ureido-pentanoic acid,IUPAC_TRADITIONAL,35354,bmst000175,1
2-amino-5-ureido-pentanoic acid,IUPAC_CAS,35354,bmst000175,1
2-amino-5-ureido-pentanoic acid,IUPAC_OPENEYE,35354,bmst000175,1
2-amino-5-(aminocarbonylamino)pentanoic acid,IUPAC_SYSTEMATIC,35354,bmst000175,1
"(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid",IUPAC,35364,bmst000177,1
"(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",IUPAC_TRADITIONAL,35364,bmst000177,1
"(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",IUPAC_CAS,35364,bmst000177,1
"(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",IUPAC_OPENEYE,35364,bmst000177,1
"(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid",IUPAC_SYSTEMATIC,35364,bmst000177,1
"[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxy-oxan-2-yl]methoxyphosphonic acid",IUPAC,35374,bmst000178,1
"[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxy-tetrahydropyran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,35374,bmst000178,1
"[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxy-tetrahydropyran-2-yl]methoxyphosphonic acid",IUPAC_CAS,35374,bmst000178,1
"[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxy-tetrahydropyran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,35374,bmst000178,1
"[(2R,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]methoxyphosphonic acid",IUPAC,35384,bmst000180,1
"[(2R,3R,4R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,35384,bmst000180,1
"[(2R,3R,4R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_CAS,35384,bmst000180,1
"[(2R,3R,4R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,35384,bmst000180,1
"[(2R,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]methoxyphosphonic acid",IUPAC_SYSTEMATIC,35384,bmst000180,1
"(2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid",IUPAC,35394,bmst000182,1
"(2R,3S,4S,5S)-2,3,4,5-tetrahydroxyadipic acid",IUPAC_TRADITIONAL,35394,bmst000182,1
"2,3,4,5-tetrahydroxyhexanedioic acid",IUPAC_CAS,35394,bmst000182,1
"2,3,4,5-tetrahydroxyhexanedioic acid",IUPAC_OPENEYE,35394,bmst000182,1
"2,3,4,5-tetrahydroxyhexanedioic acid",IUPAC_SYSTEMATIC,35394,bmst000182,1
"2,3,4,5-tetrahydroxypentanoic acid",IUPAC,35404,bmst000183,1
"2,3,4,5-tetrahydroxypentanoic acid",IUPAC_TRADITIONAL,35404,bmst000183,1
"2,3,4,5-tetrahydroxypentanoic acid",IUPAC_CAS,35404,bmst000183,1
"2,3,4,5-tetrahydroxypentanoic acid",IUPAC_OPENEYE,35404,bmst000183,1
"2,3,4,5-tetrahydroxypentanoic acid",IUPAC_SYSTEMATIC,35404,bmst000183,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC,35414,bmst000184,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC_TRADITIONAL,35414,bmst000184,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC_CAS,35414,bmst000184,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC_OPENEYE,35414,bmst000184,1
"2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate",IUPAC_SYSTEMATIC,35414,bmst000184,1
"(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one",IUPAC,35424,bmst000185,1
"(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one",IUPAC_TRADITIONAL,35424,bmst000185,1
"(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one",IUPAC_CAS,35424,bmst000185,1
"(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one",IUPAC_OPENEYE,35424,bmst000185,1
"(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one",IUPAC_SYSTEMATIC,35424,bmst000185,1
2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-aminopentanedioic acid,IUPAC,35434,bmst000186,1
2-aminoglutaric acid; 2-amino-5-guanidino-pentanoic acid,IUPAC_TRADITIONAL,35434,bmst000186,1
2-amino-5-guanidino-pentanoic acid; 2-aminopentanedioic acid,IUPAC_CAS,35434,bmst000186,1
2-amino-5-guanidino-pentanoic acid; 2-aminopentanedioic acid,IUPAC_OPENEYE,35434,bmst000186,1
2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-aminopentanedioic acid,IUPAC_SYSTEMATIC,35434,bmst000186,1
2-(3-aminopropanoylamino)-3-(3H-imidazol-4-yl)propanoic acid,IUPAC,35444,bmst000187,1
2-(3-aminopropanoylamino)-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_TRADITIONAL,35444,bmst000187,1
2-[(3-amino-1-oxo-propyl)amino]-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_CAS,35444,bmst000187,1
2-(3-aminopropanoylamino)-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_OPENEYE,35444,bmst000187,1
2-(3-aminopropanoylamino)-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_SYSTEMATIC,35444,bmst000187,1
(2S)-2-amino-4-[[(1R)-2-[(2R)-2-[[(4S)-4-amino-4-carboxy-butanoyl]amino]-2-(carboxymethylcarbamoyl)ethyl]disulfanyl-1-(carboxymethylcarbamoyl)ethyl]carbamoyl]butanoic acid,IUPAC,35454,bmst000188,1
(2S)-2-amino-4-[[[(1R)-2-[(2R)-2-[[(4S)-4-amino-4-carboxy-1-oxo-butyl]amino]-2-[(carboxymethylamino)-oxo-methyl]ethyl]disulfanyl-1-[(carboxymethylamino)-oxo-methyl]ethyl]amino]-oxo-methyl]butanoic acid,IUPAC_CAS,35454,bmst000188,1
2-amino-4-[[1-(carboxymethylcarbamoyl)-2-sulfanyl-ethyl]carbamoyl]butanoic acid,IUPAC,35464,bmst000189,1
2-amino-4-[[1-(carboxymethylcarbamoyl)-2-mercapto-ethyl]carbamoyl]butanoic acid,IUPAC_TRADITIONAL,35464,bmst000189,1
2-amino-4-[[[1-[(carboxymethylamino)-oxo-methyl]-2-mercapto-ethyl]amino]-oxo-methyl]butanoic acid,IUPAC_CAS,35464,bmst000189,1
2-amino-4-[[1-(carboxymethylcarbamoyl)-2-sulfanyl-ethyl]carbamoyl]butanoic acid,IUPAC_OPENEYE,35464,bmst000189,1
2-amino-4-[[1-(carboxymethylcarbamoyl)-2-sulfanyl-ethyl]carbamoyl]butanoic acid,IUPAC_SYSTEMATIC,35464,bmst000189,1
"(3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-oxolan-2-one",IUPAC,35474,bmst000190,1
"(3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-one",IUPAC_TRADITIONAL,35474,bmst000190,1
"(3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-one",IUPAC_CAS,35474,bmst000190,1
"(3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-one",IUPAC_OPENEYE,35474,bmst000190,1
"(3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-oxolan-2-one",IUPAC_SYSTEMATIC,35474,bmst000190,1
(2S)-2-amino-4-(2-aminophenyl)-4-oxo-butanoic acid,IUPAC,35484,bmst000191,1
(2S)-2-amino-4-(2-aminophenyl)-4-oxo-butanoic acid,IUPAC_TRADITIONAL,35484,bmst000191,1
(2S)-2-amino-4-(2-aminophenyl)-4-oxo-butanoic acid,IUPAC_CAS,35484,bmst000191,1
(2S)-2-amino-4-(2-aminophenyl)-4-oxo-butanoic acid,IUPAC_OPENEYE,35484,bmst000191,1
(2S)-2-amino-4-(2-aminophenyl)-4-oxo-butanoic acid,IUPAC_SYSTEMATIC,35484,bmst000191,1
(2S)-2-hydroxypropanoic acid,IUPAC,35494,bmst000192,1
lactic acid,IUPAC_TRADITIONAL,35494,bmst000192,1
lactic acid,IUPAC_CAS,35494,bmst000192,1
lactic acid,IUPAC_OPENEYE,35494,bmst000192,1
"(2S)-2,5-diaminopentanoic acid",IUPAC,35504,bmst000194,1
(2S)-2-amino-4-methylselanyl-butanoic acid,IUPAC,35514,bmst000195,1
(2S)-2-amino-4-methylseleno-butanoic acid,IUPAC_TRADITIONAL,35514,bmst000195,1
(2S)-2-amino-4-methylseleno-butanoic acid,IUPAC_CAS,35514,bmst000195,1
"2,3-dihydroxybutanedioic acid",IUPAC,35524,bmst000196,1
tartaric acid,IUPAC_TRADITIONAL,35524,bmst000196,1
tartaric acid,IUPAC_CAS,35524,bmst000196,1
tartaric acid,IUPAC_OPENEYE,35524,bmst000196,1
"2,3-dihydroxybutanedioic acid",IUPAC_SYSTEMATIC,35524,bmst000196,1
2-dimethylaminoacetic acid,IUPAC,35534,bmst000197,1
2-dimethylaminoacetic acid,IUPAC_TRADITIONAL,35534,bmst000197,1
2-dimethylaminoacetic acid,IUPAC_CAS,35534,bmst000197,1
2-dimethylaminoacetic acid,IUPAC_OPENEYE,35534,bmst000197,1
2-dimethylaminoethanoic acid,IUPAC_SYSTEMATIC,35534,bmst000197,1
"N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide",IUPAC,35544,bmst000198,1
"N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide",IUPAC_TRADITIONAL,35544,bmst000198,1
"N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide",IUPAC_CAS,35544,bmst000198,1
"N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide",IUPAC_OPENEYE,35544,bmst000198,1
"N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",IUPAC_SYSTEMATIC,35544,bmst000198,1
"[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid",IUPAC,35554,bmst000199,1
"(3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl)oxyphosphonic acid",IUPAC_TRADITIONAL,35554,bmst000199,1
"[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphosphonic acid",IUPAC_CAS,35554,bmst000199,1
"[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphosphonic acid",IUPAC_OPENEYE,35554,bmst000199,1
"[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid",IUPAC_SYSTEMATIC,35554,bmst000199,1
"(5-acetamido-3,4,6-trihydroxy-oxan-2-yl)methoxyphosphonic acid",IUPAC,35564,bmst000200,1
"(5-acetamido-3,4,6-trihydroxy-tetrahydropyran-2-yl)methoxyphosphonic acid",IUPAC_TRADITIONAL,35564,bmst000200,1
"(5-acetamido-3,4,6-trihydroxy-tetrahydropyran-2-yl)methoxyphosphonic acid",IUPAC_CAS,35564,bmst000200,1
"(5-acetamido-3,4,6-trihydroxy-tetrahydropyran-2-yl)methoxyphosphonic acid",IUPAC_OPENEYE,35564,bmst000200,1
"(5-acetamido-3,4,6-trihydroxy-oxan-2-yl)methoxyphosphonic acid",IUPAC_SYSTEMATIC,35564,bmst000200,1
2-acetamidopropanoic acid,IUPAC,35574,bmst000201,1
2-acetamidopropanoic acid,IUPAC_TRADITIONAL,35574,bmst000201,1
2-acetamidopropanoic acid,IUPAC_CAS,35574,bmst000201,1
2-acetamidopropanoic acid,IUPAC_OPENEYE,35574,bmst000201,1
2-acetamidopropanoic acid,IUPAC_SYSTEMATIC,35574,bmst000201,1
2-acetamido-4-carbamoyl-butanoic acid,IUPAC,35584,bmst000202,1
2-acetamido-4-carbamoyl-butanoic acid,IUPAC_TRADITIONAL,35584,bmst000202,1
2-acetamido-4-carbamoyl-butanoic acid,IUPAC_CAS,35584,bmst000202,1
2-acetamido-4-carbamoyl-butanoic acid,IUPAC_OPENEYE,35584,bmst000202,1
2-acetamido-4-aminocarbonyl-butanoic acid,IUPAC_SYSTEMATIC,35584,bmst000202,1
(2S)-2-acetamido-5-amino-pentanoic acid,IUPAC,35594,bmst000203,1
(2S)-2-acetamido-5-amino-pentanoic acid,IUPAC_TRADITIONAL,35594,bmst000203,1
(2S)-2-acetamido-5-amino-pentanoic acid,IUPAC_CAS,35594,bmst000203,1
(2S)-2-acetamido-5-amino-pentanoic acid,IUPAC_OPENEYE,35594,bmst000203,1
(2S)-2-acetamido-5-amino-pentanoic acid,IUPAC_SYSTEMATIC,35594,bmst000203,1
acetic acid,IUPAC,35604,bmst000204,1
acetic acid,IUPAC_TRADITIONAL,35604,bmst000204,1
acetic acid,IUPAC_CAS,35604,bmst000204,1
acetic acid,IUPAC_OPENEYE,35604,bmst000204,1
ethanoic acid,IUPAC_SYSTEMATIC,35604,bmst000204,1
3-acetyloxy-4-trimethylammonio-butanoate,IUPAC,35614,bmst000206,1
3-acetoxy-4-trimethylammonio-butanoate,IUPAC_TRADITIONAL,35614,bmst000206,1
3-acetoxy-4-trimethylammonio-butanoate,IUPAC_CAS,35614,bmst000206,1
3-acetoxy-4-trimethylammonio-butanoate,IUPAC_OPENEYE,35614,bmst000206,1
3-acetyloxy-4-trimethylammonio-butanoate,IUPAC_SYSTEMATIC,35614,bmst000206,1
(amino-phenyl-methyl)phosphonic acid,IUPAC,35624,bmst000208,1
(amino-phenyl-methyl)phosphonic acid,IUPAC_TRADITIONAL,35624,bmst000208,1
(amino-phenyl-methyl)phosphonic acid,IUPAC_CAS,35624,bmst000208,1
(amino-phenyl-methyl)phosphonic acid,IUPAC_OPENEYE,35624,bmst000208,1
(amino-phenyl-methyl)phosphonic acid,IUPAC_SYSTEMATIC,35624,bmst000208,1
3-(4-hydroxyphenyl)-2-oxo-propanoic acid,IUPAC,35634,bmst000209,1
3-(4-hydroxyphenyl)-2-oxo-propanoic acid,IUPAC_TRADITIONAL,35634,bmst000209,1
3-(4-hydroxyphenyl)-2-oxo-propanoic acid,IUPAC_OPENEYE,35634,bmst000209,1
3-(4-hydroxyphenyl)-2-oxo-propanoic acid,IUPAC_CAS,35634,bmst000209,1
3-(4-hydroxyphenyl)-2-oxo-propanoic acid,IUPAC_SYSTEMATIC,35634,bmst000209,1
4-hydroxybenzaldehyde,IUPAC,35644,bmst000210,1
4-hydroxybenzaldehyde,IUPAC_TRADITIONAL,35644,bmst000210,1
4-hydroxybenzaldehyde,IUPAC_OPENEYE,35644,bmst000210,1
4-hydroxybenzaldehyde,IUPAC_CAS,35644,bmst000210,1
4-hydroxybenzaldehyde,IUPAC_SYSTEMATIC,35644,bmst000210,1
"4-nitrobenzene-1,2-diol",IUPAC,35654,bmst000211,1
"4-nitrobenzene-1,2-diol",IUPAC_TRADITIONAL,35654,bmst000211,1
"4-nitrobenzene-1,2-diol",IUPAC_OPENEYE,35654,bmst000211,1
"4-nitrobenzene-1,2-diol",IUPAC_CAS,35654,bmst000211,1
"4-nitrobenzene-1,2-diol",IUPAC_SYSTEMATIC,35654,bmst000211,1
(4-nitrophenoxy)phosphonic acid,IUPAC,35664,bmst000212,1
(4-nitrophenoxy)phosphonic acid,IUPAC_TRADITIONAL,35664,bmst000212,1
(4-nitrophenoxy)phosphonic acid,IUPAC_OPENEYE,35664,bmst000212,1
(4-nitrophenoxy)phosphonic acid,IUPAC_CAS,35664,bmst000212,1
(4-nitrophenoxy)phosphonic acid,IUPAC_SYSTEMATIC,35664,bmst000212,1
4-nitrophenol,IUPAC,35674,bmst000213,1
4-nitrophenol,IUPAC_TRADITIONAL,35674,bmst000213,1
4-nitrophenol,IUPAC_CAS,35674,bmst000213,1
4-nitrophenol,IUPAC_OPENEYE,35674,bmst000213,1
4-nitrophenol,IUPAC_SYSTEMATIC,35674,bmst000213,1
5-acetamido-2-nitro-benzoic acid,IUPAC,35684,bmst000214,1
5-acetamido-2-nitro-benzoic acid,IUPAC_TRADITIONAL,35684,bmst000214,1
5-acetamido-2-nitro-benzoic acid,IUPAC_CAS,35684,bmst000214,1
5-acetamido-2-nitro-benzoic acid,IUPAC_OPENEYE,35684,bmst000214,1
5-acetamido-2-nitro-benzoic acid,IUPAC_SYSTEMATIC,35684,bmst000214,1
1-phenylethanone,IUPAC,35694,bmst000215,1
acetophenone,IUPAC_TRADITIONAL,35694,bmst000215,1
1-phenylethanone,IUPAC_OPENEYE,35694,bmst000215,1
1-phenylethanone,IUPAC_CAS,35694,bmst000215,1
1-phenylethanone,IUPAC_SYSTEMATIC,35694,bmst000215,1
acetyloxyphosphonic acid,IUPAC,35704,bmst000216,1
acetoxyphosphonic acid,IUPAC_TRADITIONAL,35704,bmst000216,1
acetoxyphosphonic acid,IUPAC_OPENEYE,35704,bmst000216,1
acetoxyphosphonic acid,IUPAC_CAS,35704,bmst000216,1
acetyloxyphosphonic acid,IUPAC_SYSTEMATIC,35704,bmst000216,1
benzoic acid,IUPAC,35714,bmst000217,1
benzoic acid,IUPAC_TRADITIONAL,35714,bmst000217,1
benzoic acid,IUPAC_OPENEYE,35714,bmst000217,1
benzoic acid,IUPAC_CAS,35714,bmst000217,1
benzoic acid,IUPAC_SYSTEMATIC,35714,bmst000217,1
benzonitrile,IUPAC,35724,bmst000218,1
benzonitrile,IUPAC_TRADITIONAL,35724,bmst000218,1
benzonitrile,IUPAC_OPENEYE,35724,bmst000218,1
benzonitrile,IUPAC_CAS,35724,bmst000218,1
benzonitrile,IUPAC_SYSTEMATIC,35724,bmst000218,1
"[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,35734,bmst000219,1
"[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,35734,bmst000219,1
"[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,35734,bmst000219,1
"[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,35734,bmst000219,1
"[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,35734,bmst000219,1
"[[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,35744,bmst000220,1
"[[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,35744,bmst000220,1
"[[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,35744,bmst000220,1
"[[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,35744,bmst000220,1
"[[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,35744,bmst000220,1
2-hydroxyethyl-trimethyl-azanium,IUPAC,35754,bmst000221,1
2-hydroxyethyl-trimethyl-ammonium,IUPAC_TRADITIONAL,35754,bmst000221,1
2-hydroxyethyl-trimethyl-ammonium,IUPAC_OPENEYE,35754,bmst000221,1
2-hydroxyethyl-trimethyl-ammonium,IUPAC_CAS,35754,bmst000221,1
2-hydroxyethyl-trimethyl-azanium,IUPAC_SYSTEMATIC,35754,bmst000221,1
"[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-(2-sulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid",IUPAC,35764,bmst000222,1
"[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[2-(2-mercaptoethylcarbamoyl)ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxyphosphonic acid",IUPAC_TRADITIONAL,35764,bmst000222,1
"[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-(2-sulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxyphosphonic acid",IUPAC_OPENEYE,35764,bmst000222,1
"[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[[2-[(2-mercaptoethylamino)-oxo-methyl]ethylamino]-oxo-methyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxyphosphonic acid",IUPAC_CAS,35764,bmst000222,1
"[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-(2-sulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid",IUPAC_SYSTEMATIC,35764,bmst000222,1
2-aminopropanoic acid,IUPAC,35774,bmst000223,1
2-aminopropanoic acid,IUPAC_TRADITIONAL,35774,bmst000223,1
2-aminopropanoic acid,IUPAC_OPENEYE,35774,bmst000223,1
2-aminopropanoic acid,IUPAC_CAS,35774,bmst000223,1
2-aminopropanoic acid,IUPAC_SYSTEMATIC,35774,bmst000223,1
(2S)-2-aminobutanedioic acid,IUPAC,35784,bmst000224,1
(2S)-2-aminosuccinic acid,IUPAC_TRADITIONAL,35784,bmst000224,1
(2S)-2-aminobutanedioic acid,IUPAC_OPENEYE,35784,bmst000224,1
(2S)-2-aminobutanedioic acid,IUPAC_CAS,35784,bmst000224,1
(2S)-2-aminobutanedioic acid,IUPAC_SYSTEMATIC,35784,bmst000224,1
"[(3R,4S,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxyphosphonic acid",IUPAC,35794,bmst000225,1
"[(3R,4S,5S)-2,3,4-trihydroxy-5-methylol-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,35794,bmst000225,1
"[(3R,4S,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,35794,bmst000225,1
"[(3R,4S,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_CAS,35794,bmst000225,1
"[(3R,4S,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxyphosphonic acid",IUPAC_SYSTEMATIC,35794,bmst000225,1
"[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-phosphonooxy-oxolan-2-yl]methoxyphosphonic acid",IUPAC,35804,bmst000226,1
"[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylol-5-phosphonooxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,35804,bmst000226,1
"[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-phosphonooxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,35804,bmst000226,1
"[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-phosphonooxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_CAS,35804,bmst000226,1
"[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-phosphonooxy-oxolan-2-yl]methoxyphosphonic acid",IUPAC_SYSTEMATIC,35804,bmst000226,1
"(2S)-2,3-dihydroxypropanal",IUPAC,35814,bmst000227,1
"(2S)-2,3-dihydroxypropanal",IUPAC_TRADITIONAL,35814,bmst000227,1
"(2S)-2,3-dihydroxypropanal",IUPAC_OPENEYE,35814,bmst000227,1
"(2S)-2,3-dihydroxypropanal",IUPAC_CAS,35814,bmst000227,1
"(2S)-2,3-dihydroxypropanal",IUPAC_SYSTEMATIC,35814,bmst000227,1
"[(2R,3S,4S)-2,3,4-trihydroxy-5-oxo-pentoxy]phosphonic acid",IUPAC,35823,bmst000228,1
"[(2R,3S,4S)-2,3,4-trihydroxy-5-oxo-pentoxy]phosphonic acid",IUPAC_TRADITIONAL,35823,bmst000228,1
"[(2R,3S,4S)-2,3,4-trihydroxy-5-oxo-pentoxy]phosphonic acid",IUPAC_OPENEYE,35823,bmst000228,1
"[(2R,3S,4S)-2,3,4-trihydroxy-5-oxo-pentoxy]phosphonic acid",IUPAC_CAS,35823,bmst000228,1
"[(2R,3S,4S)-2,3,4-trihydroxy-5-oxo-pentoxy]phosphonic acid",IUPAC_SYSTEMATIC,35823,bmst000228,1
"1,3,7-trimethylpurine-2,6-dione",IUPAC,35833,bmst000229,1
"1,3,7-trimethylpurine-2,6-quinone",IUPAC_TRADITIONAL,35833,bmst000229,1
"(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid",IUPAC,35843,bmst000230,1
"(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid",IUPAC_TRADITIONAL,35843,bmst000230,1
"(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid",IUPAC_OPENEYE,35843,bmst000230,1
"(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid",IUPAC_CAS,35843,bmst000230,1
"(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid",IUPAC_SYSTEMATIC,35843,bmst000230,1
"[[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,35853,bmst000231,1
"[[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,35853,bmst000231,1
"[[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,35853,bmst000231,1
"[[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,35853,bmst000231,1
"[[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,35853,bmst000231,1
"[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxyphosphonic acid",IUPAC,35863,bmst000232,1
"[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,35863,bmst000232,1
"[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,35863,bmst000232,1
"[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_CAS,35863,bmst000232,1
"[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxyphosphonic acid",IUPAC_SYSTEMATIC,35863,bmst000232,1
"[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,35883,bmst000234,1
"[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,35883,bmst000234,1
"[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,35883,bmst000234,1
"[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,35883,bmst000234,1
"[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,35883,bmst000234,1
"[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxyphosphonic acid",IUPAC,35893,bmst000235,1
"[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,35893,bmst000235,1
"[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_CAS,35893,bmst000235,1
"[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,35893,bmst000235,1
"[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxyphosphonic acid",IUPAC_SYSTEMATIC,35893,bmst000235,1
"1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",IUPAC,35903,bmst000236,1
"1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone",IUPAC_TRADITIONAL,35903,bmst000236,1
"1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione",IUPAC_CAS,35903,bmst000236,1
"1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione",IUPAC_OPENEYE,35903,bmst000236,1
"1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",IUPAC_SYSTEMATIC,35903,bmst000236,1
"4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",IUPAC,35913,bmst000237,1
"4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one",IUPAC_TRADITIONAL,35913,bmst000237,1
"4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one",IUPAC_CAS,35913,bmst000237,1
"4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one",IUPAC_OPENEYE,35913,bmst000237,1
"4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",IUPAC_SYSTEMATIC,35913,bmst000237,1
"1H-pyrimidine-2,4-dione",IUPAC,35923,bmst000238,1
"1H-pyrimidine-2,4-quinone",IUPAC_TRADITIONAL,35923,bmst000238,1
"pyrimidine-2,4-diol",IUPAC_CAS,35923,bmst000238,1
"pyrimidine-2,4-diol",IUPAC_OPENEYE,35923,bmst000238,1
"pyrimidine-2,4-diol",IUPAC_SYSTEMATIC,35923,bmst000238,1
"[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,35933,bmst000239,1
"[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,35933,bmst000239,1
"[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,35933,bmst000239,1
"[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,35933,bmst000239,1
"[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,35933,bmst000239,1
"[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-hydroxy-phosphoryl]oxy-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]phosphinic acid",IUPAC,35943,bmst000241,1
"[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-hydroxy-phosphoryl]oxy-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]phosphinic acid",IUPAC_TRADITIONAL,35943,bmst000241,1
"[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hydroxy-phosphoryl]oxy-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]phosphinic acid",IUPAC_CAS,35943,bmst000241,1
"[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hydroxy-phosphoryl]oxy-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]phosphinic acid",IUPAC_OPENEYE,35943,bmst000241,1
"[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-hydroxy-phosphoryl]oxy-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]phosphinic acid",IUPAC_SYSTEMATIC,35943,bmst000241,1
"2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1-thia-3-azoniacyclopenta-2,4-dien-5-yl]ethanol",IUPAC,35953,bmst000242,1
2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-5-yl]ethanol,IUPAC_TRADITIONAL,35953,bmst000242,1
2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-5-yl]ethanol,IUPAC_OPENEYE,35953,bmst000242,1
2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-5-yl]ethanol,IUPAC_CAS,35953,bmst000242,1
"2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1-thia-3-azoniacyclopenta-2,4-dien-5-yl]ethanol",IUPAC_SYSTEMATIC,35953,bmst000242,1
4-amino-3H-pyrimidin-2-one,IUPAC,35963,bmst000243,1
4-amino-3H-pyrimidin-2-one,IUPAC_TRADITIONAL,35963,bmst000243,1
4-amino-3H-pyrimidin-2-one,IUPAC_CAS,35963,bmst000243,1
4-amino-3H-pyrimidin-2-one,IUPAC_OPENEYE,35963,bmst000243,1
4-amino-3H-pyrimidin-2-one,IUPAC_SYSTEMATIC,35963,bmst000243,1
"[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid",IUPAC,35973,bmst000244,1
"[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,35973,bmst000244,1
"[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,35973,bmst000244,1
"[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_CAS,35973,bmst000244,1
"[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid",IUPAC_SYSTEMATIC,35973,bmst000244,1
"[(2R,3R,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxyphosphonic acid",IUPAC,35983,bmst000245,1
"[(2R,3R,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,35983,bmst000245,1
"[(2R,3R,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_CAS,35983,bmst000245,1
"[(2R,3R,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,35983,bmst000245,1
"[(2R,3R,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxyphosphonic acid",IUPAC_SYSTEMATIC,35983,bmst000245,1
"(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid",IUPAC,35993,bmst000246,1
"(2S,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",IUPAC_TRADITIONAL,35993,bmst000246,1
"(2S,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",IUPAC_CAS,35993,bmst000246,1
"(2S,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",IUPAC_OPENEYE,35993,bmst000246,1
"(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid",IUPAC_SYSTEMATIC,35993,bmst000246,1
"(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid",IUPAC,36003,bmst000247,1
"(2S,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",IUPAC_TRADITIONAL,36003,bmst000247,1
"(2S,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",IUPAC_CAS,36003,bmst000247,1
"(2S,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",IUPAC_OPENEYE,36003,bmst000247,1
"(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid",IUPAC_SYSTEMATIC,36003,bmst000247,1
(2S)-2-amino-3-methyl-butanoic acid,IUPAC,36013,bmst000248,1
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid,IUPAC,36023,bmst000249,1
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid,IUPAC_TRADITIONAL,36023,bmst000249,1
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid,IUPAC_CAS,36023,bmst000249,1
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid,IUPAC_OPENEYE,36023,bmst000249,1
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid,IUPAC_SYSTEMATIC,36023,bmst000249,1
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,IUPAC,36033,bmst000250,1
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,IUPAC_TRADITIONAL,36033,bmst000250,1
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,IUPAC_CAS,36033,bmst000250,1
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,IUPAC_OPENEYE,36033,bmst000250,1
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,IUPAC_SYSTEMATIC,36033,bmst000250,1
"(2S,3R)-2-amino-3-hydroxy-butanoic acid",IUPAC,36043,bmst000251,1
"butane-1,2,3,4-tetrol",IUPAC,36053,bmst000252,1
"butane-1,2,3,4-tetrol",IUPAC_TRADITIONAL,36053,bmst000252,1
"butane-1,2,3,4-tetrol",IUPAC_CAS,36053,bmst000252,1
"butane-1,2,3,4-tetrol",IUPAC_OPENEYE,36053,bmst000252,1
"butane-1,2,3,4-tetrol",IUPAC_SYSTEMATIC,36053,bmst000252,1
(2S)-2-amino-3-hydroxy-propanoic acid,IUPAC,36063,bmst000253,1
(2R)-pyrrolidine-2-carboxylic acid,IUPAC,36073,bmst000254,1
(2R)-pyrrolidine-2-carboxylic acid,IUPAC_TRADITIONAL,36073,bmst000254,1
(2R)-pyrrolidine-2-carboxylic acid,IUPAC_CAS,36073,bmst000254,1
(2R)-pyrrolidine-2-carboxylic acid,IUPAC_OPENEYE,36073,bmst000254,1
(2R)-pyrrolidine-2-carboxylic acid,IUPAC_SYSTEMATIC,36073,bmst000254,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC,36083,bmst000255,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC_TRADITIONAL,36083,bmst000255,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC_CAS,36083,bmst000255,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC_OPENEYE,36083,bmst000255,1
(2S)-2-amino-3-phenyl-propanoic acid,IUPAC_SYSTEMATIC,36083,bmst000255,1
(2S)-2-amino-4-methylsulfanyl-butanoic acid,IUPAC,36093,bmst000256,1
(2S)-2-hydroxybutanedioic acid,IUPAC,36103,bmst000257,1
(2S)-2-hydroxysuccinic acid,IUPAC_TRADITIONAL,36103,bmst000257,1
"(2S)-2,6-diaminohexanoic acid",IUPAC,36113,bmst000258,1
(2S)-2-amino-4-methyl-pentanoic acid,IUPAC,36123,bmst000259,1
"(2S,3S)-2-amino-3-methyl-pentanoic acid",IUPAC,36133,bmst000260,1
(2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid,IUPAC,36143,bmst000261,1
(2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_TRADITIONAL,36143,bmst000261,1
(2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_CAS,36143,bmst000261,1
(2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_OPENEYE,36143,bmst000261,1
(2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid,IUPAC_SYSTEMATIC,36143,bmst000261,1
(2S)-2-amino-4-carbamoyl-butanoic acid,IUPAC,36153,bmst000262,1
2-amino-4-carbamoyl-butanoic acid,IUPAC_TRADITIONAL,36153,bmst000262,1
2-amino-4-carbamoyl-butanoic acid,IUPAC_CAS,36153,bmst000262,1
2-amino-4-carbamoyl-butanoic acid,IUPAC_OPENEYE,36153,bmst000262,1
(2S)-2-amino-4-aminocarbonyl-butanoic acid,IUPAC_SYSTEMATIC,36153,bmst000262,1
2-aminopentanedioic acid,IUPAC,36163,bmst000263,1
2-aminoglutaric acid,IUPAC_TRADITIONAL,36163,bmst000263,1
2-aminopentanedioic acid,IUPAC_CAS,36163,bmst000263,1
2-aminopentanedioic acid,IUPAC_OPENEYE,36163,bmst000263,1
2-aminopentanedioic acid,IUPAC_SYSTEMATIC,36163,bmst000263,1
(2R)-2-amino-3-[(2R)-2-amino-2-carboxy-ethyl]disulfanyl-propanoic acid,IUPAC,36173,bmst000264,1
(2R)-2-amino-3-[(2R)-2-amino-2-carboxy-ethyl]disulfanyl-propanoic acid,IUPAC_TRADITIONAL,36173,bmst000264,1
(2R)-2-amino-3-[(2R)-2-amino-2-carboxy-ethyl]disulfanyl-propanoic acid,IUPAC_CAS,36173,bmst000264,1
(2R)-2-amino-3-[(2R)-2-amino-2-carboxy-ethyl]disulfanyl-propanoic acid,IUPAC_OPENEYE,36173,bmst000264,1
(2R)-2-amino-3-[(2R)-2-amino-2-carboxy-ethyl]disulfanyl-propanoic acid,IUPAC_SYSTEMATIC,36173,bmst000264,1
(2R)-2-amino-3-sulfanyl-propanoic acid,IUPAC,36183,bmst000265,1
(2R)-2-amino-3-mercapto-propanoic acid,IUPAC_TRADITIONAL,36183,bmst000265,1
(2R)-2-amino-3-mercapto-propanoic acid,IUPAC_CAS,36183,bmst000265,1
(3R)-3-hydroxy-4-trimethylammonio-butanoate,IUPAC,36193,bmst000266,1
(3R)-3-hydroxy-4-trimethylammonio-butanoate,IUPAC_TRADITIONAL,36193,bmst000266,1
(3R)-3-hydroxy-4-trimethylammonio-butanoate,IUPAC_CAS,36193,bmst000266,1
(3R)-3-hydroxy-4-trimethylammonio-butanoate,IUPAC_OPENEYE,36193,bmst000266,1
(3R)-3-hydroxy-4-trimethylammonio-butanoate,IUPAC_SYSTEMATIC,36193,bmst000266,1
(2S)-2-amino-4-(diaminomethylideneamino)oxy-butanoic acid,IUPAC,36203,bmst000267,1
(2S)-2-amino-4-guanidinooxy-butanoic acid,IUPAC_TRADITIONAL,36203,bmst000267,1
(2S)-2-amino-4-guanidinooxy-butanoic acid,IUPAC_CAS,36203,bmst000267,1
(2S)-2-amino-4-guanidinooxy-butanoic acid,IUPAC_OPENEYE,36203,bmst000267,1
(2S)-2-aminobutanedioic acid,IUPAC,36213,bmst000268,1
(2S)-2-aminosuccinic acid,IUPAC_TRADITIONAL,36213,bmst000268,1
(2S)-2-amino-3-carbamoyl-propanoic acid,IUPAC,36223,bmst000269,1
(2S)-2-amino-3-aminocarbonyl-propanoic acid,IUPAC_SYSTEMATIC,36223,bmst000269,1
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid,IUPAC,36233,bmst000270,1
(2S)-2-amino-5-guanidino-pentanoic acid,IUPAC_TRADITIONAL,36233,bmst000270,1
(2S)-2-amino-5-guanidino-pentanoic acid,IUPAC_CAS,36233,bmst000270,1
(2S)-2-amino-5-guanidino-pentanoic acid,IUPAC_OPENEYE,36233,bmst000270,1
"(2S,4S)-pentane-1,2,3,4,5-pentol",IUPAC,36243,bmst000271,1
"(2S,4S)-pentane-1,2,3,4,5-pentol",IUPAC_TRADITIONAL,36243,bmst000271,1
"(2S,4S)-pentane-1,2,3,4,5-pentol",IUPAC_CAS,36243,bmst000271,1
"(2S,4S)-pentane-1,2,3,4,5-pentol",IUPAC_OPENEYE,36243,bmst000271,1
"(2S,4S)-pentane-1,2,3,4,5-pentol",IUPAC_SYSTEMATIC,36243,bmst000271,1
(2S)-2-aminopropanoic acid,IUPAC,36253,bmst000272,1
"[[[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,36263,bmst000273,1
"[[[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,36263,bmst000273,1
"[[[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,36263,bmst000273,1
"[[[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,36263,bmst000273,1
"[[[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,36263,bmst000273,1
"benzene-1,4-diol",IUPAC,36273,bmst000274,1
hydroquinone,IUPAC_TRADITIONAL,36273,bmst000274,1
"benzene-1,4-diol",IUPAC_OPENEYE,36273,bmst000274,1
"benzene-1,4-diol",IUPAC_CAS,36273,bmst000274,1
"benzene-1,4-diol",IUPAC_SYSTEMATIC,36273,bmst000274,1
methanol,IUPAC,36283,bmst000275,1
methanol,IUPAC_TRADITIONAL,36283,bmst000275,1
methanol,IUPAC_OPENEYE,36283,bmst000275,1
methanol,IUPAC_CAS,36283,bmst000275,1
methanol,IUPAC_SYSTEMATIC,36283,bmst000275,1
"(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid",IUPAC,36293,bmst000276,1
"(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid",IUPAC_TRADITIONAL,36293,bmst000276,1
"(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid",IUPAC_CAS,36293,bmst000276,1
"(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid",IUPAC_OPENEYE,36293,bmst000276,1
"(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid",IUPAC_SYSTEMATIC,36293,bmst000276,1
pyridine-3-carboxamide,IUPAC,36303,bmst000277,1
nicotinamide,IUPAC_TRADITIONAL,36303,bmst000277,1
pyridine-3-carboxamide,IUPAC_OPENEYE,36303,bmst000277,1
pyridine-3-carboxamide,IUPAC_CAS,36303,bmst000277,1
pyridine-3-carboxamide,IUPAC_SYSTEMATIC,36303,bmst000277,1
"2,6-dioxo-3H-pyrimidine-4-carboxylic acid",IUPAC,36313,bmst000278,1
"2,6-dioxo-3H-pyrimidine-4-carboxylic acid",IUPAC_TRADITIONAL,36313,bmst000278,1
"2,6-dioxo-3H-pyrimidine-4-carboxylic acid",IUPAC_OPENEYE,36313,bmst000278,1
"2,6-dioxo-3H-pyrimidine-4-carboxylic acid",IUPAC_CAS,36313,bmst000278,1
"2,6-dioxo-3H-pyrimidine-4-carboxylic acid",IUPAC_SYSTEMATIC,36313,bmst000278,1
"1-oxopropane-1,2,3-tricarboxylic acid",IUPAC,36323,bmst000279,1
"1-oxopropane-1,2,3-tricarboxylic acid",IUPAC_TRADITIONAL,36323,bmst000279,1
"1-oxopropane-1,2,3-tricarboxylic acid",IUPAC_OPENEYE,36323,bmst000279,1
"1-oxopropane-1,2,3-tricarboxylic acid",IUPAC_CAS,36323,bmst000279,1
"1-oxopropane-1,2,3-tricarboxylic acid",IUPAC_SYSTEMATIC,36323,bmst000279,1
"3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoic acid",IUPAC,36333,bmst000280,1
"3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoic acid",IUPAC_TRADITIONAL,36333,bmst000280,1
"3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoic acid",IUPAC_OPENEYE,36333,bmst000280,1
"3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-1-oxo-butyl]amino]propanoic acid",IUPAC_CAS,36333,bmst000280,1
"3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoic acid",IUPAC_SYSTEMATIC,36333,bmst000280,1
phenol,IUPAC,36343,bmst000281,1
phenol,IUPAC_TRADITIONAL,36343,bmst000281,1
phenol,IUPAC_OPENEYE,36343,bmst000281,1
phenol,IUPAC_CAS,36343,bmst000281,1
phenol,IUPAC_SYSTEMATIC,36343,bmst000281,1
"4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol",IUPAC,36353,bmst000282,1
"2-methyl-4,5-dimethylol-pyridin-3-ol",IUPAC_TRADITIONAL,36353,bmst000282,1
"4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol",IUPAC_OPENEYE,36353,bmst000282,1
"4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol",IUPAC_CAS,36353,bmst000282,1
"4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol",IUPAC_SYSTEMATIC,36353,bmst000282,1
(2S)-2-hydroxypropanoic acid,IUPAC,36363,bmst000283,1
lactic acid,IUPAC_TRADITIONAL,36363,bmst000283,1
lactic acid,IUPAC_OPENEYE,36363,bmst000283,1
lactic acid,IUPAC_CAS,36363,bmst000283,1
(2S)-2-hydroxypropanoic acid,IUPAC_SYSTEMATIC,36363,bmst000283,1
"(2S)-2-amino-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methylsulfanyl]butanoic acid",IUPAC,36373,bmst000284,1
"(2S)-2-amino-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylthio]butanoic acid",IUPAC_TRADITIONAL,36373,bmst000284,1
"(2S)-2-amino-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid",IUPAC_OPENEYE,36373,bmst000284,1
"(2S)-2-amino-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylthio]butanoic acid",IUPAC_CAS,36373,bmst000284,1
"(2S)-2-amino-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methylsulfanyl]butanoic acid",IUPAC_SYSTEMATIC,36373,bmst000284,1
"(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl-methyl-sulfonio]butanoate",IUPAC,36383,bmst000285,1
"(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-sulfonio]butanoate",IUPAC_TRADITIONAL,36383,bmst000285,1
"(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-sulfonio]butanoate",IUPAC_CAS,36383,bmst000285,1
"(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-sulfonio]butanoate",IUPAC_OPENEYE,36383,bmst000285,1
"(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl-methyl-sulfonio]butanoate",IUPAC_SYSTEMATIC,36383,bmst000285,1
2-hydroxybenzoic acid,IUPAC,36393,bmst000286,1
2-hydroxybenzoic acid,IUPAC_TRADITIONAL,36393,bmst000286,1
2-hydroxybenzoic acid,IUPAC_OPENEYE,36393,bmst000286,1
2-hydroxybenzoic acid,IUPAC_CAS,36393,bmst000286,1
2-hydroxybenzoic acid,IUPAC_SYSTEMATIC,36393,bmst000286,1
2-amino-4-methylselanyl-butanoic acid,IUPAC,36403,bmst000287,1
2-amino-4-methylseleno-butanoic acid,IUPAC_TRADITIONAL,36403,bmst000287,1
2-amino-4-methylselanyl-butanoic acid,IUPAC_OPENEYE,36403,bmst000287,1
2-amino-4-methylseleno-butanoic acid,IUPAC_CAS,36403,bmst000287,1
2-amino-4-methylselanyl-butanoic acid,IUPAC_SYSTEMATIC,36403,bmst000287,1
"2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1-thia-3-azoniacyclopenta-2,4-dien-5-yl]ethanol",IUPAC,36413,bmst000288,1
2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-5-yl]ethanol,IUPAC_TRADITIONAL,36413,bmst000288,1
2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-5-yl]ethanol,IUPAC_OPENEYE,36413,bmst000288,1
2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-5-yl]ethanol,IUPAC_CAS,36413,bmst000288,1
"2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1-thia-3-azoniacyclopenta-2,4-dien-5-yl]ethanol",IUPAC_SYSTEMATIC,36413,bmst000288,1
"[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,36423,bmst000289,1
"[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,36423,bmst000289,1
"[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,36423,bmst000289,1
"[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,36423,bmst000289,1
"[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,36423,bmst000289,1
"(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid",IUPAC,36433,bmst000290,1
"(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid",IUPAC_TRADITIONAL,36433,bmst000290,1
"(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid",IUPAC_OPENEYE,36433,bmst000290,1
"(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid",IUPAC_CAS,36433,bmst000290,1
"(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid",IUPAC_SYSTEMATIC,36433,bmst000290,1
"[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid",IUPAC,36443,bmst000291,1
"[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,36443,bmst000291,1
"[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,36443,bmst000291,1
"[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid",IUPAC_CAS,36443,bmst000291,1
"[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid",IUPAC_SYSTEMATIC,36443,bmst000291,1
"[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC,36453,bmst000292,1
"[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_TRADITIONAL,36453,bmst000292,1
"[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_OPENEYE,36453,bmst000292,1
"[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_CAS,36453,bmst000292,1
"[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid",IUPAC_SYSTEMATIC,36453,bmst000292,1
3-(3H-imidazol-4-yl)prop-2-enoic acid,IUPAC,36463,bmst000293,1
3-(3H-imidazol-4-yl)acrylic acid,IUPAC_TRADITIONAL,36463,bmst000293,1
3-(3H-imidazol-4-yl)prop-2-enoic acid,IUPAC_OPENEYE,36463,bmst000293,1
3-(3H-imidazol-4-yl)prop-2-enoic acid,IUPAC_CAS,36463,bmst000293,1
3-(3H-imidazol-4-yl)prop-2-enoic acid,IUPAC_SYSTEMATIC,36463,bmst000293,1
2-(4-aminobutyl)guanidine,IUPAC,36473,bmst000294,1
2-(4-aminobutyl)guanidine,IUPAC_TRADITIONAL,36473,bmst000294,1
2-(4-aminobutyl)guanidine,IUPAC_CAS,36473,bmst000294,1
2-(4-aminobutyl)guanidine,IUPAC_OPENEYE,36473,bmst000294,1
2-(4-aminobutyl)guanidine,IUPAC_SYSTEMATIC,36473,bmst000294,1
"[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid",IUPAC,36483,bmst000295,1
"[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphosphonic acid",IUPAC_TRADITIONAL,36483,bmst000295,1
"[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphosphonic acid",IUPAC_CAS,36483,bmst000295,1
"[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphosphonic acid",IUPAC_OPENEYE,36483,bmst000295,1
"[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phosphonooxy-oxan-2-yl]methoxyphosphonic acid",IUPAC,36493,bmst000296,1
"[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phosphonooxy-tetrahydropyran-2-yl]methoxyphosphonic acid",IUPAC_TRADITIONAL,36493,bmst000296,1
"[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phosphonooxy-tetrahydropyran-2-yl]methoxyphosphonic acid",IUPAC_CAS,36493,bmst000296,1
"[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phosphonooxy-tetrahydropyran-2-yl]methoxyphosphonic acid",IUPAC_OPENEYE,36493,bmst000296,1
"[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid",IUPAC,36503,bmst000297,1
"[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphosphonic acid",IUPAC_TRADITIONAL,36503,bmst000297,1
"[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphosphonic acid",IUPAC_CAS,36503,bmst000297,1
"[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphosphonic acid",IUPAC_OPENEYE,36503,bmst000297,1
2-oxopentanedioic acid,IUPAC,36513,bmst000298,1
2-oxoglutaric acid,IUPAC_TRADITIONAL,36513,bmst000298,1
2-oxopentanedioic acid,IUPAC_CAS,36513,bmst000298,1
2-oxopentanedioic acid,IUPAC_OPENEYE,36513,bmst000298,1
2-oxopentanedioic acid,IUPAC_SYSTEMATIC,36513,bmst000298,1
naphthalene-1-carboxylic acid,IUPAC,36523,bmst000299,1
naphthalene-1-carboxylic acid,IUPAC_TRADITIONAL,36523,bmst000299,1
naphthalene-1-carboxylic acid,IUPAC_CAS,36523,bmst000299,1
naphthalene-1-carboxylic acid,IUPAC_OPENEYE,36523,bmst000299,1
naphthalene-1-carboxylic acid,IUPAC_SYSTEMATIC,36523,bmst000299,1
"(2R)-2-phenyl-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-acetonitrile",IUPAC,36533,bmst000300,1
"(2R)-2-phenyl-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile",IUPAC_TRADITIONAL,36533,bmst000300,1
"(2R)-2-phenyl-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile",IUPAC_CAS,36533,bmst000300,1
"(2R)-2-phenyl-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile",IUPAC_OPENEYE,36533,bmst000300,1
"(2R)-2-phenyl-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-ethanenitrile",IUPAC_SYSTEMATIC,36533,bmst000300,1
3-aminopropanoic acid,IUPAC,36543,bmst000301,1
3-aminopropanoic acid,IUPAC_TRADITIONAL,36543,bmst000301,1
3-aminopropanoic acid,IUPAC_CAS,36543,bmst000301,1
3-aminopropanoic acid,IUPAC_OPENEYE,36543,bmst000301,1
3-aminopropanoic acid,IUPAC_SYSTEMATIC,36543,bmst000301,1
trimethyl-(2-oxoethyl)azanium,IUPAC,36553,bmst000302,1
trimethyl-(2-oxoethyl)ammonium,IUPAC_TRADITIONAL,36553,bmst000302,1
trimethyl-(2-oxoethyl)ammonium,IUPAC_CAS,36553,bmst000302,1
trimethyl-(2-oxoethyl)ammonium,IUPAC_OPENEYE,36553,bmst000302,1
trimethyl-(2-oxoethyl)azanium,IUPAC_SYSTEMATIC,36553,bmst000302,1
"5-[(1R,5S,6S)-3-oxo-7-thia-2,4-diazabicyclo[3.3.0]oct-6-yl]pentanoic acid",IUPAC,36563,bmst000303,1
2-methylbut-2-enedioic acid,IUPAC,36573,bmst000304,1
2-methylbut-2-enedioic acid,IUPAC_TRADITIONAL,36573,bmst000304,1
2-methylbut-2-enedioic acid,IUPAC_CAS,36573,bmst000304,1
2-methylbut-2-enedioic acid,IUPAC_OPENEYE,36573,bmst000304,1
2-methylbut-2-enedioic acid,IUPAC_SYSTEMATIC,36573,bmst000304,1
2-[methyl-(N'-phosphonocarbamimidoyl)amino]acetic acid,IUPAC,36583,bmst000305,1
2-[methyl-(N'-phosphonocarbamimidoyl)amino]acetic acid,IUPAC_TRADITIONAL,36583,bmst000305,1
2-[(amino-phosphonoimino-methyl)-methyl-amino]acetic acid,IUPAC_CAS,36583,bmst000305,1
2-[methyl-(N'-phosphonocarbamimidoyl)amino]acetic acid,IUPAC_OPENEYE,36583,bmst000305,1
2-[methyl-(N'-phosphonocarbamimidoyl)amino]ethanoic acid,IUPAC_SYSTEMATIC,36583,bmst000305,1
2-amino-1-methyl-5H-imidazol-4-one,IUPAC,36593,bmst000306,1
2-amino-1-methyl-5H-imidazol-4-one,IUPAC_TRADITIONAL,36593,bmst000306,1
2-amino-1-methyl-5H-imidazol-4-one,IUPAC_CAS,36593,bmst000306,1
2-amino-1-methyl-5H-imidazol-4-one,IUPAC_OPENEYE,36593,bmst000306,1
2-amino-1-methyl-5H-imidazol-4-one,IUPAC_SYSTEMATIC,36593,bmst000306,1
"1,3,5-triazinane-2,4,6-trione",IUPAC,36603,bmst000307,1
"1,3,5-triazinane-2,4,6-trione",IUPAC_TRADITIONAL,36603,bmst000307,1
"1,3,5-triazinane-2,4,6-trione",IUPAC_CAS,36603,bmst000307,1
"1,3,5-triazinane-2,4,6-trione",IUPAC_OPENEYE,36603,bmst000307,1
"1,3,5-triazinane-2,4,6-trione",IUPAC_SYSTEMATIC,36603,bmst000307,1
diethyl 2-oxobutanedioate,IUPAC,36613,bmst000308,1
2-oxosuccinic acid diethyl ester,IUPAC_TRADITIONAL,36613,bmst000308,1
diethyl 2-oxobutanedioate,IUPAC_CAS,36613,bmst000308,1
diethyl 2-oxobutanedioate,IUPAC_OPENEYE,36613,bmst000308,1
diethyl 2-oxobutanedioate,IUPAC_SYSTEMATIC,36613,bmst000308,1
"1,3-dihydroxypropan-2-one",IUPAC,36623,bmst000309,1
"1,3-dihydroxypropan-2-one",IUPAC_TRADITIONAL,36623,bmst000309,1
"1,3-dihydroxypropan-2-one",IUPAC_CAS,36623,bmst000309,1
"1,3-dihydroxypropan-2-one",IUPAC_OPENEYE,36623,bmst000309,1
"1,3-dihydroxypropan-2-one",IUPAC_SYSTEMATIC,36623,bmst000309,1
"2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid",IUPAC,36633,bmst000310,1
"2-[2,3-dichloro-4-(2-ethylacryloyl)phenoxy]acetic acid",IUPAC_TRADITIONAL,36633,bmst000310,1
"2-[2,3-dichloro-4-(2-methylene-1-oxo-butyl)phenoxy]acetic acid",IUPAC_CAS,36633,bmst000310,1
"2-[2,3-dichloro-4-(2-methylenebutanoyl)phenoxy]acetic acid",IUPAC_OPENEYE,36633,bmst000310,1
"2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ethanoic acid",IUPAC_SYSTEMATIC,36633,bmst000310,1
formic acid,IUPAC,36643,bmst000311,1
formic acid,IUPAC_TRADITIONAL,36643,bmst000311,1
formic acid,IUPAC_CAS,36643,bmst000311,1
formic acid,IUPAC_OPENEYE,36643,bmst000311,1
methanoic acid,IUPAC_SYSTEMATIC,36643,bmst000311,1
"(3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-oxolan-2-one",IUPAC,36653,bmst000312,1
"(3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-one",IUPAC_TRADITIONAL,36653,bmst000312,1
"(3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-one",IUPAC_CAS,36653,bmst000312,1
"(3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-one",IUPAC_OPENEYE,36653,bmst000312,1
"(3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-oxolan-2-one",IUPAC_SYSTEMATIC,36653,bmst000312,1
"propane-1,2,3-triol",IUPAC,36663,bmst000313,1
glycerol,IUPAC_TRADITIONAL,36663,bmst000313,1
glycerol,IUPAC_CAS,36663,bmst000313,1
glycerol,IUPAC_OPENEYE,36663,bmst000313,1
"propane-1,2,3-triol",IUPAC_SYSTEMATIC,36663,bmst000313,1
"(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",IUPAC,36673,bmst000314,1
"(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol",IUPAC_TRADITIONAL,36673,bmst000314,1
"(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol",IUPAC_CAS,36673,bmst000314,1
"(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol",IUPAC_OPENEYE,36673,bmst000314,1
"(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",IUPAC_SYSTEMATIC,36673,bmst000314,1
2-hydroxyacetic acid,IUPAC,36683,bmst000315,1
2-hydroxyacetic acid,IUPAC_TRADITIONAL,36683,bmst000315,1
2-hydroxyacetic acid,IUPAC_CAS,36683,bmst000315,1
2-hydroxyacetic acid,IUPAC_OPENEYE,36683,bmst000315,1
2-hydroxyethanoic acid,IUPAC_SYSTEMATIC,36683,bmst000315,1
"2-(2,5-dihydroxyphenyl)acetic acid",IUPAC,36693,bmst000316,1
"2-(2,5-dihydroxyphenyl)acetic acid",IUPAC_TRADITIONAL,36693,bmst000316,1
"2-(2,5-dihydroxyphenyl)acetic acid",IUPAC_CAS,36693,bmst000316,1
"2-(2,5-dihydroxyphenyl)acetic acid",IUPAC_OPENEYE,36693,bmst000316,1
"2-(2,5-dihydroxyphenyl)ethanoic acid",IUPAC_SYSTEMATIC,36693,bmst000316,1
2-(4-hydroxy-3-methoxy-phenyl)acetic acid,IUPAC,36703,bmst000317,1
2-(4-hydroxy-3-methoxy-phenyl)acetic acid,IUPAC_TRADITIONAL,36703,bmst000317,1
2-(4-hydroxy-3-methoxy-phenyl)acetic acid,IUPAC_CAS,36703,bmst000317,1
2-(4-hydroxy-3-methoxy-phenyl)acetic acid,IUPAC_OPENEYE,36703,bmst000317,1
2-(4-hydroxy-3-methoxy-phenyl)ethanoic acid,IUPAC_SYSTEMATIC,36703,bmst000317,1
2-(1H-indol-3-yl)acetic acid,IUPAC,36713,bmst000318,1
2-(1H-indol-3-yl)acetic acid,IUPAC_TRADITIONAL,36713,bmst000318,1
2-(1H-indol-3-yl)acetic acid,IUPAC_CAS,36713,bmst000318,1
2-(1H-indol-3-yl)acetic acid,IUPAC_OPENEYE,36713,bmst000318,1
2-(1H-indol-3-yl)ethanoic acid,IUPAC_SYSTEMATIC,36713,bmst000318,1
2-hydroxyethanesulfonic acid,IUPAC,36723,bmst000319,1
2-hydroxyethanesulfonic acid,IUPAC_TRADITIONAL,36723,bmst000319,1
2-hydroxyethanesulfonic acid,IUPAC_CAS,36723,bmst000319,1
2-hydroxyethanesulfonic acid,IUPAC_OPENEYE,36723,bmst000319,1
2-hydroxyethanesulfonic acid,IUPAC_SYSTEMATIC,36723,bmst000319,1
pyridine-4-carboxylic acid,IUPAC,36733,bmst000320,1
isonicotinic acid,IUPAC_TRADITIONAL,36733,bmst000320,1
isonicotinic acid,IUPAC_CAS,36733,bmst000320,1
isonicotinic acid,IUPAC_OPENEYE,36733,bmst000320,1
pyridine-4-carboxylic acid,IUPAC_SYSTEMATIC,36733,bmst000320,1
2-methylidenebutanedioic acid,IUPAC,36743,bmst000321,1
2-methylenesuccinic acid,IUPAC_TRADITIONAL,36743,bmst000321,1
2-methylenebutanedioic acid,IUPAC_CAS,36743,bmst000321,1
2-methylenebutanedioic acid,IUPAC_OPENEYE,36743,bmst000321,1
2-methylidenebutanedioic acid,IUPAC_SYSTEMATIC,36743,bmst000321,1
"(2R,3R,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3S,4R,5R,6S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-oxane-3,4,5-triol",IUPAC,36753,bmst000322,1
"(2R,3R,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3S,4R,5R,6S)-4-amino-3,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]tetrahydropyran-3,4,5-triol",IUPAC_TRADITIONAL,36753,bmst000322,1
"(2R,3R,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3S,4R,5R,6S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]tetrahydropyran-3,4,5-triol",IUPAC_CAS,36753,bmst000322,1
"(2R,3R,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3S,4R,5R,6S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]tetrahydropyran-3,4,5-triol",IUPAC_OPENEYE,36753,bmst000322,1
"(2R,3R,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3S,4R,5R,6S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-oxane-3,4,5-triol",IUPAC_SYSTEMATIC,36753,bmst000322,1
but-2-enedioic acid,IUPAC,36763,bmst000323,1
2-hydroxybutanedioic acid,IUPAC,36773,bmst000324,1
2-hydroxysuccinic acid,IUPAC_TRADITIONAL,36773,bmst000324,1
2-hydroxybutanedioic acid,IUPAC_CAS,36773,bmst000324,1
2-hydroxybutanedioic acid,IUPAC_OPENEYE,36773,bmst000324,1
2-hydroxybutanedioic acid,IUPAC_SYSTEMATIC,36773,bmst000324,1
"(2R,3R,4S,5R,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol",IUPAC,36783,bmst000325,1
"(2R,3R,4S,5R,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol",IUPAC_TRADITIONAL,36783,bmst000325,1
"(2R,3R,4S,5R,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol",IUPAC_CAS,36783,bmst000325,1
"(2R,3R,4S,5R,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol",IUPAC_OPENEYE,36783,bmst000325,1
"(2R,3R,4S,5R,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol",IUPAC_SYSTEMATIC,36783,bmst000325,1
methyl 4-aminobutanoate,IUPAC,36793,bmst000326,1
4-aminobutanoic acid methyl ester,IUPAC_TRADITIONAL,36793,bmst000326,1
methyl 4-aminobutanoate,IUPAC_CAS,36793,bmst000326,1
methyl 4-aminobutanoate,IUPAC_OPENEYE,36793,bmst000326,1
methyl 4-aminobutanoate,IUPAC_SYSTEMATIC,36793,bmst000326,1
"N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-oxan-3-yl]acetamide",IUPAC,36803,bmst000327,1
"N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-methoxy-6-methylol-tetrahydropyran-3-yl]acetamide",IUPAC_TRADITIONAL,36803,bmst000327,1
"N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3-yl]acetamide",IUPAC_CAS,36803,bmst000327,1
"N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3-yl]acetamide",IUPAC_OPENEYE,36803,bmst000327,1
"N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-oxan-3-yl]ethanamide",IUPAC_SYSTEMATIC,36803,bmst000327,1
3-methyl-2-oxo-butanoic acid,IUPAC,36813,bmst000328,1
3-methyl-2-oxo-butanoic acid,IUPAC_TRADITIONAL,36813,bmst000328,1
3-methyl-2-oxo-butanoic acid,IUPAC_CAS,36813,bmst000328,1
3-methyl-2-oxo-butanoic acid,IUPAC_OPENEYE,36813,bmst000328,1
3-methyl-2-oxo-butanoic acid,IUPAC_SYSTEMATIC,36813,bmst000328,1
oxalic acid,IUPAC,36823,bmst000329,1
oxalic acid,IUPAC_TRADITIONAL,36823,bmst000329,1
oxalic acid,IUPAC_CAS,36823,bmst000329,1
oxalic acid,IUPAC_OPENEYE,36823,bmst000329,1
ethanedioic acid,IUPAC_SYSTEMATIC,36823,bmst000329,1
2-phenylacetic acid,IUPAC,36833,bmst000330,1
2-phenylacetic acid,IUPAC_TRADITIONAL,36833,bmst000330,1
2-phenylacetic acid,IUPAC_CAS,36833,bmst000330,1
2-phenylacetic acid,IUPAC_OPENEYE,36833,bmst000330,1
2-phenylethanoic acid,IUPAC_SYSTEMATIC,36833,bmst000330,1
2-(hydroxy-oxido-phosphoryl)oxyprop-2-enoic acid,IUPAC,36843,bmst000332,1
2-(hydroxy-oxido-phosphoryl)oxyacrylic acid,IUPAC_TRADITIONAL,36843,bmst000332,1
2-(hydroxy-oxido-phosphoryl)oxyprop-2-enoic acid,IUPAC_CAS,36843,bmst000332,1
2-(hydroxy-oxido-phosphoryl)oxyprop-2-enoic acid,IUPAC_OPENEYE,36843,bmst000332,1
2-(hydroxy-oxido-phosphoryl)oxyprop-2-enoic acid,IUPAC_SYSTEMATIC,36843,bmst000332,1
"(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid",IUPAC,36853,bmst000333,1
"(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",IUPAC_TRADITIONAL,36853,bmst000333,1
"(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",IUPAC_CAS,36853,bmst000333,1
"(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid",IUPAC_OPENEYE,36853,bmst000333,1
"(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid",IUPAC_SYSTEMATIC,36853,bmst000333,1
propanoic acid,IUPAC,36863,bmst000334,1
propionic acid,IUPAC_TRADITIONAL,36863,bmst000334,1
propionic acid,IUPAC_CAS,36863,bmst000334,1
propionic acid,IUPAC_OPENEYE,36863,bmst000334,1