smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccnc1N1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1	ZINC000028629527	525533271	/nfs/dbraw/zinc/53/32/71/525533271.db2.gz	BAOKZHJPPNVFEF-IBGZPJMESA-N	-1	1	388.398	4.312	10	30		GIEEMM
CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccs1)C1=C(CCCC1=O)N2	ZINC000005868877	204154665	/nfs/dbraw/zinc/15/46/65/204154665.db2.gz	WXAGOOYQWDNCFO-HNNXBMFYSA-N	-1	1	387.530	4.288	10	30		GIEEMM
Cc1cccnc1N1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1	ZINC000028629528	525533590	/nfs/dbraw/zinc/53/35/90/525533590.db2.gz	BAOKZHJPPNVFEF-LJQANCHMSA-N	-1	1	388.398	4.312	10	30		GIEEMM
CCC(C)N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl	ZINC000005163415	520182898	/nfs/dbraw/zinc/18/28/98/520182898.db2.gz	AVDINEVWZALVEB-WOJGMQOQSA-N	-1	1	396.856	4.247	10	30		GIEEMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccccc1Cl	ZINC000096336092	526824221	/nfs/dbraw/zinc/82/42/21/526824221.db2.gz	WALVKQZEACCWAD-CQSZACIVSA-N	-1	1	386.816	4.172	10	30		GIEEMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccccc1Cl	ZINC000096336093	526824467	/nfs/dbraw/zinc/82/44/67/526824467.db2.gz	WALVKQZEACCWAD-AWEZNQCLSA-N	-1	1	386.816	4.172	10	30		GIEEMM
CC(C)c1nc(SCC(=O)c2ccc([O-])c(O)c2)c(C#N)c2c1CCCC2	ZINC000095117597	208154028	/nfs/dbraw/zinc/15/40/28/208154028.db2.gz	CPNAOAPDXFDHAO-UHFFFAOYSA-N	-1	1	382.485	4.342	10	30		GIEEMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1	ZINC000096336094	526824696	/nfs/dbraw/zinc/82/46/96/526824696.db2.gz	LYZRWUQUVNNJFD-CQSZACIVSA-N	-1	1	386.816	4.172	10	30		GIEEMM
COc1ccc(-c2c(C)c(C)[n-]c(=O)c2C#N)c(OCc2ccccc2)c1OC	ZINC000017424284	212149506	/nfs/dbraw/zinc/14/95/06/212149506.db2.gz	KVABCLHBOJWIRG-UHFFFAOYSA-N	-1	1	390.439	4.127	10	30		GIEEMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1	ZINC000096336095	526824854	/nfs/dbraw/zinc/82/48/54/526824854.db2.gz	LYZRWUQUVNNJFD-AWEZNQCLSA-N	-1	1	386.816	4.172	10	30		GIEEMM