smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1-n1c([O-])c(N=Nc2ccc(S(=O)(=O)[O-])cc2)c(=O)[n-]c1=S	ZINC000016309579	556599175	/nfs/dbraw/zinc/59/91/75/556599175.db2.gz	OQIBHKZPNUFRPQ-ZHZULCJRSA-N	-3	3	434.455	1.998	50	30		IDEAHL
Cc1[nH]c(=O)[n-]c(=O)c1C=Nn1cc([O-])c(-c2nc(-c3ccc(Cl)cc3)cs2)c1N	ZINC000013570787	525401735	/nfs/dbraw/zinc/40/17/35/525401735.db2.gz	UEBMAMPXZMVGPU-GEVRCRHISA-N	-2	3	442.888	1.695	50	30		IDEAHL
O=C([O-])[C@H]1NC(=C2C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C12	ZINC000103047864	557416666	/nfs/dbraw/zinc/41/66/66/557416666.db2.gz	QWNLVFJAYZOLCD-ZQIUZPCESA-N	-2	3	436.807	1.835	50	30		IDEAHL
COc1cc([C@H]2c3c(=O)[n-]c(=O)[nH]c3NC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)[O-]	ZINC000012867778	522967521	/nfs/dbraw/zinc/96/75/21/522967521.db2.gz	GQSSXLYPQGITGZ-MRXNPFEDSA-N	-2	3	441.440	1.736	50	30		IDEAHL
COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N=C3CCCN3)c2)c1	ZINC000095462946	524759112	/nfs/dbraw/zinc/75/91/12/524759112.db2.gz	ZKONPTQHRRNLDC-UHFFFAOYSA-N	-2	3	425.488	1.672	50	30		IDEAHL
O=S(=O)([O-])c1ccc([O-])c(/C=N/CC/N=C/c2cc(S(=O)(=O)[O-])ccc2[O-])c1	ZINC000039715710	527260899	/nfs/dbraw/zinc/26/08/99/527260899.db2.gz	DGXBATIUPOGBES-BEQMOXJMSA-N	-4	3	428.444	1.129	50	30		IDEAHL
O=S(=O)([O-])c1ccc([O-])c(/C=N/CC/N=C/c2cc(S(=O)(=O)[O-])ccc2O)c1	ZINC000039715710	527260908	/nfs/dbraw/zinc/26/09/08/527260908.db2.gz	DGXBATIUPOGBES-BEQMOXJMSA-N	-3	3	428.444	1.129	50	30		IDEAHL
COc1ccc(Cc2nnc(NN=Cc3c([O-])c(C)ncc3CO)[n-]c2=O)cc1OC	ZINC000027548629	569271433	/nfs/dbraw/zinc/27/14/33/569271433.db2.gz	HGYXNOSBGMJJPB-LSFURLLWSA-N	-2	3	426.433	1.533	50	30		IDEAHL
O=C([O-])[C@@H]1NC(=C2C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C12	ZINC000100326746	557257739	/nfs/dbraw/zinc/25/77/39/557257739.db2.gz	QWNLVFJAYZOLCD-JKIFEVAISA-N	-2	3	436.807	1.835	50	30		IDEAHL
O=C([O-])[C@@H]1NC(=C2C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C12	ZINC000100326752	557257726	/nfs/dbraw/zinc/25/77/26/557257726.db2.gz	QWNLVFJAYZOLCD-CKEIUWERSA-N	-2	3	436.807	1.835	50	30		IDEAHL
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(=O)[n-]c(SC)n2)ccc1Cl	ZINC000009512580	518956139	/nfs/dbraw/zinc/95/61/39/518956139.db2.gz	INSRFRJBMFBFFV-UHFFFAOYSA-N	-2	3	429.907	1.967	50	30		IDEAHL
COc1cc([C@@H]2c3c(=O)[n-]c(=O)[nH]c3NC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)[O-]	ZINC000012867784	522934597	/nfs/dbraw/zinc/93/45/97/522934597.db2.gz	GQSSXLYPQGITGZ-INIZCTEOSA-N	-2	3	441.440	1.736	50	30		IDEAHL
O=C([O-])[C@H]1NC(=C2C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C21	ZINC000221535541	556699964	/nfs/dbraw/zinc/69/99/64/556699964.db2.gz	QWNLVFJAYZOLCD-CPUCHLNUSA-N	-2	3	436.807	1.835	50	30		IDEAHL
O=C([O-])[C@@H]1NC(=C2C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C12	ZINC000100326743	557257750	/nfs/dbraw/zinc/25/77/50/557257750.db2.gz	QWNLVFJAYZOLCD-GRDNDAEWSA-N	-2	3	436.807	1.835	50	30		IDEAHL
O=C([O-])[C@H]1NC(=C2C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C21	ZINC000103047870	557416624	/nfs/dbraw/zinc/41/66/24/557416624.db2.gz	QWNLVFJAYZOLCD-KEYYUXOJSA-N	-2	3	436.807	1.835	50	30		IDEAHL
C=CCN1C(=O)/C(=C\c2cc(I)c([O-])c(OC)c2)C(=O)[N-]C1=S	ZINC000015722706	568828683	/nfs/dbraw/zinc/82/86/83/568828683.db2.gz	MSZBKRAPNJJVFX-UITAMQMPSA-N	-2	3	444.250	1.818	50	30		IDEAHL
O=C([O-])[C@@H]1NC(=C2C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C12	ZINC000100326748	557257781	/nfs/dbraw/zinc/25/77/81/557257781.db2.gz	QWNLVFJAYZOLCD-JJRVBVJISA-N	-2	3	436.807	1.835	50	30		IDEAHL
CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)CC[N-]S(=O)(=O)c2ccccc2F)cc1	ZINC000084796806	568801421	/nfs/dbraw/zinc/80/14/21/568801421.db2.gz	IGOMSFVLEPHILA-UHFFFAOYSA-N	-2	3	443.478	1.798	50	30		IDEAHL
O=C([O-])[C@H]1NC(=C2C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C12	ZINC000195808358	569205833	/nfs/dbraw/zinc/20/58/33/569205833.db2.gz	QWNLVFJAYZOLCD-VBQJREDUSA-N	-2	3	436.807	1.835	50	30		IDEAHL