smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccc(Cl)cc1	ZINC000012648927	195075036	/nfs/dbraw/zinc/07/50/36/195075036.db2.gz	YUDLGZGLZVFMEW-WSDLNYQXSA-N	-1	2	474.882	4.193	40	30		JIEBLM
O=C([O-])c1ccc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(Cl)cc2)cc1	ZINC000012584758	556082376	/nfs/dbraw/zinc/08/23/76/556082376.db2.gz	VYBISMSQISPJFC-WSDLNYQXSA-N	-1	2	474.882	4.193	40	30		JIEBLM
O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1[O-]	ZINC000005345201	554488560	/nfs/dbraw/zinc/48/85/60/554488560.db2.gz	JOHVJWOPLSHLGW-DJKKODMXSA-N	-1	2	483.325	4.071	40	30		JIEBLM
C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCC(=O)[O-]	ZINC000032109284	556418754	/nfs/dbraw/zinc/41/87/54/556418754.db2.gz	DJJCTIQRPRGGDF-MOSHPQCFSA-N	-1	2	478.501	4.346	40	30		JIEBLM
O=C(CC1S/C(=N/Cc2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccc(C(=O)[O-])cc1	ZINC000102405545	130126789	/nfs/dbraw/zinc/12/67/89/130126789.db2.gz	VGKKQAMQFKVUEN-PLFNIDSXSA-N	-1	2	473.554	4.414	40	30		JIEBLM
O=C(C[C@H]1S/C(=N/Cc2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccc(C(=O)[O-])cc1	ZINC000102405545	130126793	/nfs/dbraw/zinc/12/67/93/130126793.db2.gz	VGKKQAMQFKVUEN-PLFNIDSXSA-N	-1	2	473.554	4.414	40	30		JIEBLM
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000006446322	554540557	/nfs/dbraw/zinc/54/05/57/554540557.db2.gz	KUPOTAGFICRNSR-PZVJUEDKSA-N	-1	2	470.437	4.476	40	30		JIEBLM
CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)c([N+](=O)[O-])c1	ZINC000409034832	570106382	/nfs/dbraw/zinc/10/63/82/570106382.db2.gz	OHQUZUDKBLIOSX-UHFFFAOYSA-N	-1	2	468.506	4.071	40	30		JIEBLM
O=C(CC1S/C(=N/Cc2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccc(C(=O)[O-])cc1	ZINC000102405541	130126851	/nfs/dbraw/zinc/12/68/51/130126851.db2.gz	VGKKQAMQFKVUEN-KQEYZTLISA-N	-1	2	473.554	4.414	40	30		JIEBLM
O=C(C[C@@H]1S/C(=N/Cc2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccc(C(=O)[O-])cc1	ZINC000102405541	130126854	/nfs/dbraw/zinc/12/68/54/130126854.db2.gz	VGKKQAMQFKVUEN-KQEYZTLISA-N	-1	2	473.554	4.414	40	30		JIEBLM
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000006446315	554540568	/nfs/dbraw/zinc/54/05/68/554540568.db2.gz	KUPOTAGFICRNSR-VTJDKEBTSA-N	-1	2	470.437	4.476	40	30		JIEBLM
Oc1c(Cl)cc(Br)cc1CN=Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1	ZINC000103301073	569834654	/nfs/dbraw/zinc/83/46/54/569834654.db2.gz	PDCGQRPJWRPGAV-QRVIBDJDSA-N	-1	2	494.825	4.420	40	30		JIEBLM
CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C(=O)[O-])c2)S/C1=N\c1cc(Cl)c(O)c(Cl)c1	ZINC000009850434	521528804	/nfs/dbraw/zinc/52/88/04/521528804.db2.gz	GAEIEDRUXKQSBH-SXDATVTGSA-N	-1	2	482.345	4.377	40	30		JIEBLM
O=C([O-])c1cccc(-c2ccc(C=N[N-]c3nc(Nc4ccccc4)nc(N4CCCC4)[nH+]3)o2)c1	ZINC000409216388	570172657	/nfs/dbraw/zinc/17/26/57/570172657.db2.gz	KSYQDKURFVLVDX-WGOQTCKBSA-N	-1	2	469.505	4.042	40	30		JIEBLM
C=CCc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000016269107	519126379	/nfs/dbraw/zinc/12/63/79/519126379.db2.gz	AFJYSUXCVKYWLV-ODLFYWEKSA-N	-1	2	464.474	4.011	40	30		JIEBLM
CCN1C(=O)[C@H](CC(=O)Nc2cccc(C(=O)[O-])c2)S/C1=N\c1cc(Cl)c(O)c(Cl)c1	ZINC000009850433	521532704	/nfs/dbraw/zinc/53/27/04/521532704.db2.gz	GAEIEDRUXKQSBH-FBMGRCJOSA-N	-1	2	482.345	4.377	40	30		JIEBLM
COc1ccc([N-]S(=O)(=O)c2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2)nn1	ZINC000005345202	554488551	/nfs/dbraw/zinc/48/85/51/554488551.db2.gz	KFYDVBXNWQEIFL-UFFVCSGVSA-N	-1	2	453.307	4.049	40	30		JIEBLM
CC[C@@H]1[C@H](C)C[C@@H]2[C@H]3C[C@H]4C=CC(O)=C5C(=O)N[C@@H](CCCNC(=O)C=CC[C@@H]4[C@H]3C=C[C@@H]12)C5=O	ZINC000299888764	570177823	/nfs/dbraw/zinc/17/78/23/570177823.db2.gz	WSUGGLXIPUHOSG-XSYQVIBFSA-N	-1	2	478.633	4.015	40	30		JIEBLM