smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])c1ccc([O-])c(CN2CC[C@H]([N-]S(=O)(=O)c3ccc(-c4ccon4)s3)C2=O)c1	ZINC000013800352	562993998	/nfs/dbraw/zinc/99/39/98/562993998.db2.gz	UPZCVHMIYOGCHJ-AWEZNQCLSA-N	-1	3	461.525	1.472	1	10		JDCFHM
CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc([O-])c(CN4CCOCC4)c2cc1C3	ZINC000026008716	563021687	/nfs/dbraw/zinc/02/16/87/563021687.db2.gz	HHGDSMGXVQDEOV-VWLOTQADSA-N	-1	3	463.490	1.617	1	10		JDCFHM
O=C1c2ccccc2C(=O)c2c([O-])c(O[C@H]3O[C@@H](C4(O)CCCCC4)[C@H](O)[C@@H](O)[C@@H]3O)ccc21	ZINC000085593198	291465217	/nfs/dbraw/zinc/46/52/17/291465217.db2.gz	MTNIGJJRFUPYBS-SJSRKZJXSA-N	-1	3	470.474	1.049	1	10	biogenic,in-vitro	JDCFHM
NC(=[NH2+])c1ccc([O-])c(CN2CC[C@H]([N-]S(=O)(=O)c3ccc(-c4cccnc4)s3)C2=O)c1	ZINC000003950795	562930755	/nfs/dbraw/zinc/93/07/55/562930755.db2.gz	MKXLWSHXRLAPHM-INIZCTEOSA-N	-1	3	471.564	1.879	1	10		JDCFHM
Cc1ccc2c([O-])c3c(cc2c1)C(=O)c1c2c(cc(O)c1C3=O)[C@@]1(C)O[C@@H](O2)[C@H](O)[C@H](N(C)C)[C@H]1O	ZINC000011592971	562957372	/nfs/dbraw/zinc/95/73/72/562957372.db2.gz	HQNMNCHWQYMBPJ-LZNULQBSSA-N	-1	3	491.496	1.951	1	10		JDCFHM
CNC(=O)OCCN(CCOC(=O)NC)Cc1cc(OC)c2c(c1)C(=O)c1cccc([O-])c1C2=O	ZINC000029391090	563101674	/nfs/dbraw/zinc/10/16/74/563101674.db2.gz	ONPKWMDZSVLLLI-UHFFFAOYSA-N	-1	3	485.493	1.690	1	10		JDCFHM
Cc1cc([O-])c2c(c1)C(=O)c1c3ccccc3c3c(c1C2=O)O[C@]1(CC3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000085568763	291463737	/nfs/dbraw/zinc/46/37/37/291463737.db2.gz	QUASYWGQAZJJTM-NJXHNBMGSA-N	-1	3	492.480	1.124	1	10	biogenic,in-vitro	JDCFHM
O=C1c2ccccc2C(=O)c2c(Nc3cccc(S(=O)(=O)N(CCO)CCO)c3)ccc([O-])c21	ZINC000004973205	562933861	/nfs/dbraw/zinc/93/38/61/562933861.db2.gz	NKOJGIFYIPKJDV-UHFFFAOYSA-N	-1	3	482.514	1.887	1	10		JDCFHM
O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(CCCNC(=O)c2cc(O)c([O-])c(O)c2)CC1	ZINC000058582392	563207780	/nfs/dbraw/zinc/20/77/80/563207780.db2.gz	OYSKULJUVLIWHX-VOTSOKGWSA-N	-1	3	470.482	1.689	1	10		JDCFHM
Cc1ccc2c([O-])c3c(cc2c1)C(=O)c1c2c(cc(O)c1C3=O)[C@@]1(C)O[C@@H](O2)[C@H](O)[C@H](N(C)C)[C@@H]1O	ZINC000005440133	562934000	/nfs/dbraw/zinc/93/40/00/562934000.db2.gz	HQNMNCHWQYMBPJ-OUDJFBKESA-N	-1	3	491.496	1.951	1	10		JDCFHM
Cc1ccc2c([O-])c3c(cc2c1)C(=O)c1c2c(cc(O)c1C3=O)[C@@]1(C)O[C@@H](O2)[C@H](O)[C@@H](N(C)C)[C@H]1O	ZINC000011592970	562957385	/nfs/dbraw/zinc/95/73/85/562957385.db2.gz	HQNMNCHWQYMBPJ-PDNMKEEMSA-N	-1	3	491.496	1.951	1	10		JDCFHM
Cc1ccc2c([O-])c3c(cc2c1)C(=O)c1c2c(cc(O)c1C3=O)[C@@]1(C)O[C@@H](O2)[C@@H](O)[C@H](N(C)C)[C@H]1O	ZINC000011592973	562957406	/nfs/dbraw/zinc/95/74/06/562957406.db2.gz	HQNMNCHWQYMBPJ-UHJJGBGMSA-N	-1	3	491.496	1.951	1	10		JDCFHM
O=C1c2c([O-])ccc(O)c2C(=O)c2c(NCCN3CCOCC3)ccc(NCCN3CCOCC3)c21	ZINC000031440386	563108036	/nfs/dbraw/zinc/10/80/36/563108036.db2.gz	HTEVDQWBPSQOIT-UHFFFAOYSA-N	-1	3	496.564	1.361	1	10		JDCFHM