smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(=O)[O-])c3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000102495005	557335590	/nfs/dbraw/zinc/33/55/90/557335590.db2.gz	FUDKYUROYRNCIQ-MRJHHRETSA-N	-2	1	447.874	4.973	50	30		IJEAML
O=C([O-])c1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1	ZINC000009020014	556241250	/nfs/dbraw/zinc/24/12/50/556241250.db2.gz	SITNLGIFDYYOHQ-FQEVSTJZSA-N	-2	1	433.847	4.821	50	30		IJEAML
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(=O)[O-])c3)[C@H]2c2ccccc2F)cc1	ZINC000009086070	569500629	/nfs/dbraw/zinc/50/06/29/569500629.db2.gz	DVJKDWLCVKAOIF-NRFANRHFSA-N	-2	1	431.419	4.615	50	30		IJEAML
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(=O)[O-])c3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000102495015	557335603	/nfs/dbraw/zinc/33/56/03/557335603.db2.gz	FUDKYUROYRNCIQ-JBCNATCCSA-N	-2	1	447.874	4.973	50	30		IJEAML
O=c1c(N=Nc2ccccc2[O-])c(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1	ZINC000012377009	526949681	/nfs/dbraw/zinc/94/96/81/526949681.db2.gz	WIFRCPLWBVTVNQ-QYQHSDTDSA-N	-2	1	439.500	4.735	50	30		IJEAML
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(=O)[O-])c3)[C@@H]2c2ccccc2F)cc1	ZINC000009086069	569500636	/nfs/dbraw/zinc/50/06/36/569500636.db2.gz	DVJKDWLCVKAOIF-OAQYLSRUSA-N	-2	1	431.419	4.615	50	30		IJEAML
O=C([O-])c1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)ccc1O	ZINC000008694879	569470124	/nfs/dbraw/zinc/47/01/24/569470124.db2.gz	HOQPKLGHFSBHQC-FQEVSTJZSA-N	-2	1	449.846	4.527	50	30		IJEAML
O=C([O-])c1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)ccc1O	ZINC000008694878	569470112	/nfs/dbraw/zinc/47/01/12/569470112.db2.gz	HOQPKLGHFSBHQC-HXUWFJFHSA-N	-2	1	449.846	4.527	50	30		IJEAML
O=C([O-])c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000020130747	556987820	/nfs/dbraw/zinc/98/78/20/556987820.db2.gz	OLGMQVCKFGLRFD-HXUWFJFHSA-N	-2	1	433.847	4.821	50	30		IJEAML
O=C([O-])c1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1	ZINC000102501850	557338424	/nfs/dbraw/zinc/33/84/24/557338424.db2.gz	JOXUUAMGHIRBOM-NHFXJNLRSA-N	-2	1	433.847	4.665	50	30		IJEAML
O=C([O-])C[C@H](c1cccnc1)c1c2c(ccc1[O-])C(=O)/C(=C/c1c(F)cccc1Cl)O2	ZINC000252497253	569288048	/nfs/dbraw/zinc/28/80/48/569288048.db2.gz	QCHPDXNYVWCQSD-NGMPYOPUSA-N	-2	1	439.826	4.803	50	30		IJEAML
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(C(=O)[O-])c2)c1[O-]	ZINC000011679756	556346563	/nfs/dbraw/zinc/34/65/63/556346563.db2.gz	XDXWLKQMMKQXPV-QYQHSDTDSA-N	-3	1	442.475	4.565	50	30	fda	IJEAML
O=C([O-])c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000020130743	556987808	/nfs/dbraw/zinc/98/78/08/556987808.db2.gz	OLGMQVCKFGLRFD-FQEVSTJZSA-N	-2	1	433.847	4.821	50	30		IJEAML
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(=O)[O-])c3)[C@@H]2c2cccc(F)c2)cc1	ZINC000009086009	569500647	/nfs/dbraw/zinc/50/06/47/569500647.db2.gz	XZHMILWBMKHBML-OAQYLSRUSA-N	-2	1	431.419	4.615	50	30		IJEAML
O=C([O-])c1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1	ZINC000009020013	556241363	/nfs/dbraw/zinc/24/13/63/556241363.db2.gz	SITNLGIFDYYOHQ-HXUWFJFHSA-N	-2	1	433.847	4.821	50	30		IJEAML
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(=O)[O-])c3)[C@H]2c2ccc(F)cc2)cc1	ZINC000009110420	569502203	/nfs/dbraw/zinc/50/22/03/569502203.db2.gz	CHYGGQOOZKMRHY-NRFANRHFSA-N	-2	1	431.419	4.615	50	30		IJEAML
O=C([O-])c1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1	ZINC000102501857	557338449	/nfs/dbraw/zinc/33/84/49/557338449.db2.gz	JOXUUAMGHIRBOM-YDJIHCHBSA-N	-2	1	433.847	4.665	50	30		IJEAML
O=[N+]([O-])c1cc(/C=N\c2ccc([O-])c(-c3nc4ccccc4s3)c2)c([O-])c([N+](=O)[O-])c1	ZINC000014923772	557121692	/nfs/dbraw/zinc/12/16/92/557121692.db2.gz	CGIXTGWZJJOAEJ-FBHDLOMBSA-N	-2	1	436.405	4.942	50	30		IJEAML
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(=O)[O-])c3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000009110421	569502227	/nfs/dbraw/zinc/50/22/27/569502227.db2.gz	CHYGGQOOZKMRHY-OAQYLSRUSA-N	-2	1	431.419	4.615	50	30		IJEAML
O=C([O-])C[C@@H](c1cccnc1)c1c2c(ccc1[O-])C(=O)/C(=C/c1c(F)cccc1Cl)O2	ZINC000252497252	569288074	/nfs/dbraw/zinc/28/80/74/569288074.db2.gz	QCHPDXNYVWCQSD-GPMKDSKKSA-N	-2	1	439.826	4.803	50	30		IJEAML
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(C(=O)[O-])c2)c1[O-]	ZINC000100015243	557237227	/nfs/dbraw/zinc/23/72/27/557237227.db2.gz	XDXWLKQMMKQXPV-HPNDGRJYSA-N	-3	1	442.475	4.565	50	30	in-man	IJEAML
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(=O)[O-])c3)[C@H]2c2cccc(F)c2)cc1	ZINC000009086010	569500601	/nfs/dbraw/zinc/50/06/01/569500601.db2.gz	XZHMILWBMKHBML-NRFANRHFSA-N	-2	1	431.419	4.615	50	30		IJEAML