smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2c(=O)c(O)c(-c3ccc([O-])c(O)c3)oc2c(N2CCN(C)CC2)c1	ZINC000028822433	581091406	/nfs/dbraw/zinc/09/14/06/581091406.db2.gz	ZXVMJYMFJTYFQL-UHFFFAOYSA-N	-1	3	382.416	2.637	1	10		GFCFHM
O=c1c2cc(O)c([O-])cc2c2cc(O)c(O)cc2n1Cc1cccc([N+](=O)[O-])c1	ZINC000064564952	222074133	/nfs/dbraw/zinc/07/41/33/222074133.db2.gz	FCQPHPQKBDBVLA-UHFFFAOYSA-N	-1	3	394.339	2.934	1	10		GFCFHM
Cc1cc2c(=O)c(O)c(-c3ccc([O-])c(O)c3)oc2c(N2C(=O)CCCC2=O)c1	ZINC000028822440	207349417	/nfs/dbraw/zinc/34/94/17/207349417.db2.gz	DGMWYGXZHPOYKH-UHFFFAOYSA-N	-1	3	395.367	2.929	1	10		GFCFHM
COc1c([O-])c2c(=O)c(OC)c(OC)c(OC)c-2oc1-c1ccc(O)c(O)c1	ZINC000001575838	209226658	/nfs/dbraw/zinc/22/66/58/209226658.db2.gz	WQDGAXUSPJAKPY-UHFFFAOYSA-N	-1	3	390.344	2.611	1	10		GFCFHM
COc1cc(C[C@@H]2NCCc3c(F)c([O-])c(O)c(F)c32)cc(OC)c1OC	ZINC000013449120	210060317	/nfs/dbraw/zinc/06/03/17/210060317.db2.gz	JSUCHNUEMCJTOS-NSHDSACASA-N	-1	3	381.375	2.831	1	10		GFCFHM
COc1cc2c(c(O)c1[O-])-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000013779615	210089669	/nfs/dbraw/zinc/08/96/69/210089669.db2.gz	QWAPKPXETOORJN-AWEZNQCLSA-N	-1	3	387.457	2.979	1	10		GFCFHM
COc1c([O-])c(O)cc2c1-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000013779616	221288148	/nfs/dbraw/zinc/28/81/48/221288148.db2.gz	TUCYCQQBWVJPPA-AWEZNQCLSA-N	-1	3	387.457	2.979	1	10		GFCFHM
COc1cc(C[C@H]2NCCc3c(F)c([O-])c(O)c(F)c32)cc(OC)c1OC	ZINC000013449123	210061390	/nfs/dbraw/zinc/06/13/90/210061390.db2.gz	JSUCHNUEMCJTOS-LLVKDONJSA-N	-1	3	381.375	2.831	1	10		GFCFHM