smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/c2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1	ZINC000000726767	551538389	/nfs/dbraw/zinc/53/83/89/551538389.db2.gz	URACHUYAXRGUDO-WPWMEQJKSA-N	-2	1	535.651	4.754	50	30		KJEAML
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccc(F)c(F)c4)c3)cc2)c1C	ZINC000008576250	553078047	/nfs/dbraw/zinc/07/80/47/553078047.db2.gz	FIZPWQXUGHNYCF-UHFFFAOYSA-N	-2	1	562.576	4.808	50	30		KJEAML
Cc1cc([N-]S(=O)(=O)c2ccc([N-]C([N-]C(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc2)no1	ZINC000008681148	553112313	/nfs/dbraw/zinc/11/23/13/553112313.db2.gz	CNDXTSFATZIFGG-UHFFFAOYSA-N	-3	1	596.350	4.874	50	30		KJEAML
COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cccc(C(=O)[O-])c2)cc1OC	ZINC000008694698	553120400	/nfs/dbraw/zinc/12/04/00/553120400.db2.gz	DDVXBJCJMIBODN-JOCHJYFZSA-N	-2	1	538.350	4.947	50	30		KJEAML
COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cccc(C(=O)[O-])c2)cc1OC	ZINC000008694699	553120327	/nfs/dbraw/zinc/12/03/27/553120327.db2.gz	DDVXBJCJMIBODN-QFIPXVFZSA-N	-2	1	538.350	4.947	50	30		KJEAML
CC/N=C1/C=C/C(=C(\c2ccc(NCC)c(C)c2)c2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])C=C1C	ZINC000020230453	553617040	/nfs/dbraw/zinc/61/70/40/553617040.db2.gz	UZZRJWHLVOAXAU-WAQVYHALSA-N	-2	1	516.641	4.699	50	30		KJEAML
O=C1C=C/C(=C(\c2ccc([O-])c(Br)c2)c2ccccc2S(=O)(=O)[O-])C=C1Br	ZINC000029492236	553845731	/nfs/dbraw/zinc/84/57/31/553845731.db2.gz	CEXGBCMYGDPODC-UNOMPAQXSA-N	-2	1	512.175	4.621	50	30		KJEAML
CC/N=C1\C=C/C(=C(\c2ccc(NCC)c(C)c2)c2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])C=C1C	ZINC000100140705	554227982	/nfs/dbraw/zinc/22/79/82/554227982.db2.gz	UZZRJWHLVOAXAU-APGMJORYSA-N	-2	1	516.641	4.699	50	30		KJEAML
N#CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(C5CCCCC5)cc4)ccc3n2)CC1	ZINC000102314293	554910540	/nfs/dbraw/zinc/91/05/40/554910540.db2.gz	BDPFCRKICPPBPS-UHFFFAOYSA-N	-2	1	547.681	4.817	50	30		KJEAML
O=C([O-])c1n[nH]c2ccc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cc(Br)cs3)cc21	ZINC000102762830	555053270	/nfs/dbraw/zinc/05/32/70/555053270.db2.gz	JKVQCIJCSZQEOW-ZMESVYRVSA-N	-2	1	524.352	4.711	50	30		KJEAML
O=C([O-])c1n[nH]c2ccc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cc(Br)cs3)cc21	ZINC000102762832	555053281	/nfs/dbraw/zinc/05/32/81/555053281.db2.gz	JKVQCIJCSZQEOW-BWHWTHMTSA-N	-2	1	524.352	4.711	50	30		KJEAML
O=C([O-])c1n[nH]c2ccc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cc(Br)cs3)cc21	ZINC000102762834	555053376	/nfs/dbraw/zinc/05/33/76/555053376.db2.gz	JKVQCIJCSZQEOW-WENBPLFZSA-N	-2	1	524.352	4.711	50	30		KJEAML
O=C([O-])c1n[nH]c2ccc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cc(Br)cs3)cc21	ZINC000102762836	555053428	/nfs/dbraw/zinc/05/34/28/555053428.db2.gz	JKVQCIJCSZQEOW-QGBVPWCLSA-N	-2	1	524.352	4.711	50	30		KJEAML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C=Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1	ZINC000252629951	572271305	/nfs/dbraw/zinc/27/13/05/572271305.db2.gz	URACHUYAXRGUDO-UHFFFAOYSA-N	-2	1	535.651	4.754	50	30		KJEAML
CC(=O)[N-]S(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000253470619	572289467	/nfs/dbraw/zinc/28/94/67/572289467.db2.gz	QIZFEVOFXUTVCR-JOCHJYFZSA-N	-2	1	634.302	4.819	50	30		KJEAML
CC(=O)[N-]S(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000253470620	572289470	/nfs/dbraw/zinc/28/94/70/572289470.db2.gz	QIZFEVOFXUTVCR-QFIPXVFZSA-N	-2	1	634.302	4.819	50	30		KJEAML
CC(=O)[N-]S(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000253470632	572289497	/nfs/dbraw/zinc/28/94/97/572289497.db2.gz	SFPRMMGNYNFZOG-JOCHJYFZSA-N	-2	1	589.851	4.710	50	30		KJEAML
CC(=O)[N-]S(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000253470633	572289531	/nfs/dbraw/zinc/28/95/31/572289531.db2.gz	SFPRMMGNYNFZOG-QFIPXVFZSA-N	-2	1	589.851	4.710	50	30		KJEAML
Cc1cc(C(=O)C(C#N)=NNc2cccc(S(=O)(=O)[N-]c3ccccc3C(=O)[O-])c2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000254701990	1067151246	/nfs/dbraw/zinc/15/12/46/1067151246.db2.gz	ZJAGFIYRWNHTHG-UHFFFAOYSA-N	-2	1	651.705	4.565	50	30		KJEAML
CC(C)c1ccc(/C=C2\Oc3c(ccc([O-])c3[C@@H](CC(=O)[O-])c3ccc4c(c3)n(C)c(=O)n4C)C2=O)cc1	ZINC000524729353	1066212498	/nfs/dbraw/zinc/21/24/98/1066212498.db2.gz	POFAXCPUQWXAMV-CLVGQAISSA-N	-2	1	512.562	4.929	50	30		KJEAML
CC(C)c1ccc(/C=C2\Oc3c(ccc([O-])c3[C@H](CC(=O)[O-])c3ccc4c(c3)n(C)c(=O)n4C)C2=O)cc1	ZINC000524729354	1066212338	/nfs/dbraw/zinc/21/23/38/1066212338.db2.gz	POFAXCPUQWXAMV-CWOJIVPFSA-N	-2	1	512.562	4.929	50	30		KJEAML