smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)C2=O)cc1	ZINC000006798377	132279108	/nfs/dbraw/zinc/27/91/08/132279108.db2.gz	OYMCNKQDRIPCQD-MLPAPPSSSA-N	-2	0	449.246	3.432	10	10		IGCERL
CCCCOc1ccc(/C=C2/SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C2=O)cc1OC	ZINC000027530399	569265414	/nfs/dbraw/zinc/26/54/14/569265414.db2.gz	FJMVLSCPMNQWGU-KMHUVPDISA-N	-2	0	439.511	3.003	10	10		IGCERL
CC1=NC(=NNc2cc([N+](=O)[O-])ccc2Cl)C(COP(=O)([O-])[O-])=C(C=O)C1=O	ZINC000013816276	556314116	/nfs/dbraw/zinc/31/41/16/556314116.db2.gz	KVBPUONUZZVJFQ-ISLYRVAYSA-N	-2	0	430.697	3.494	10	10	in-vitro	IGCERL
COc1ccc(C=C2SC(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)=NC2=O)c(OC)c1	ZINC000016928301	569166551	/nfs/dbraw/zinc/16/65/51/569166551.db2.gz	XVIBQWVPCLQAHZ-PXNMLYILSA-N	-2	0	428.422	3.183	10	10		IGCERL
COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C3=O)o2)cc1	ZINC000008818976	569477022	/nfs/dbraw/zinc/47/70/22/569477022.db2.gz	YJVXUECJSKEAMU-LIOBOASVSA-N	-2	0	433.463	3.084	10	10		IGCERL
CCCCOc1ccc(/C=C2/SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C2=O)cc1OC	ZINC000027530397	569265496	/nfs/dbraw/zinc/26/54/96/569265496.db2.gz	FJMVLSCPMNQWGU-DGGAMASNSA-N	-2	0	439.511	3.003	10	10		IGCERL
COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C3=O)o2)cc1	ZINC000008818977	569477040	/nfs/dbraw/zinc/47/70/40/569477040.db2.gz	YJVXUECJSKEAMU-MGMWDDNKSA-N	-2	0	433.463	3.084	10	10		IGCERL