smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)OC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)N[C@H]2CCC[C@@H](O)C2)cc1	ZINC000077273694	518832023	/nfs/dbraw/zinc/83/20/23/518832023.db2.gz	GWUTXPHWFKUPSD-JKSUJKDBSA-N	-1	1	441.550	2.250	10	30	in-vitro	IEEEMM
CC(C)(C)OC(=O)NCCc1ccc(S(=O)(=O)N=C([O-])N[C@H]2CCC[C@@H](O)C2)cc1	ZINC000077273694	518832030	/nfs/dbraw/zinc/83/20/30/518832030.db2.gz	GWUTXPHWFKUPSD-JKSUJKDBSA-N	-1	1	441.550	2.250	10	30	in-vitro	IEEEMM
CNC(=O)[N-]S(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1	ZINC000000537790	555510349	/nfs/dbraw/zinc/51/03/49/555510349.db2.gz	RXOBKRPNVDTZQF-UHFFFAOYSA-N	-1	1	425.894	2.143	10	30	in-man	IEEEMM
CNC([O-])=NS(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1	ZINC000000537790	555510352	/nfs/dbraw/zinc/51/03/52/555510352.db2.gz	RXOBKRPNVDTZQF-UHFFFAOYSA-N	-1	1	425.894	2.143	10	30	in-man	IEEEMM
C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000021712930	518928935	/nfs/dbraw/zinc/92/89/35/518928935.db2.gz	NSODKEXRYVWIID-HXUWFJFHSA-N	-1	1	443.525	2.403	10	30		IEEEMM
COc1ccccc1CNC(=O)CSc1nnc(NN=Cc2cccc(OC)c2O)[n-]1	ZINC000020274863	557005451	/nfs/dbraw/zinc/00/54/51/557005451.db2.gz	CMLNENLKFDVLES-SSDVNMTOSA-N	-1	1	442.501	2.382	10	30		IEEEMM
C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000021712933	518920037	/nfs/dbraw/zinc/92/00/37/518920037.db2.gz	NSODKEXRYVWIID-FQEVSTJZSA-N	-1	1	443.525	2.403	10	30		IEEEMM
NS(=O)(=O)c1ccc(N=Nc2c([O-])n(-c3ccccc3)n(-c3ccccc3)c2=O)cc1	ZINC000001563188	562923029	/nfs/dbraw/zinc/92/30/29/562923029.db2.gz	LBCXESHXRQARKE-UHFFFAOYSA-N	-1	1	435.465	2.097	10	30		IEEEMM
NS(=O)(=O)c1ccc([N-]N=C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)cc1	ZINC000001563188	562923030	/nfs/dbraw/zinc/92/30/30/562923030.db2.gz	LBCXESHXRQARKE-UHFFFAOYSA-N	-1	1	435.465	2.097	10	30		IEEEMM