smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCCOc1ccccc1OC	ZINC000015019325	555860820	/nfs/dbraw/zinc/86/08/20/555860820.db2.gz	LZJLKSXTBOKDGA-PKNBQFBNSA-N	-2	0	469.450	3.419	50	5		JGBARL
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c1	ZINC000002986468	194195528	/nfs/dbraw/zinc/19/55/28/194195528.db2.gz	PEZFWOXAWOAUJT-UHFFFAOYSA-N	-2	0	493.519	3.214	50	5		JGBARL
O=C([O-])c1cc(NS(=O)(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1	ZINC000008396681	554571492	/nfs/dbraw/zinc/57/14/92/554571492.db2.gz	ZACJTYZXZNARNY-UHFFFAOYSA-N	-2	0	471.447	3.404	50	5		JGBARL
O=C([O-])c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O	ZINC000020265459	555747734	/nfs/dbraw/zinc/74/77/34/555747734.db2.gz	QRESMFSWXLFXDA-UHFFFAOYSA-N	-2	0	481.446	3.486	50	5		JGBARL
CC1CCN(c2ccc(S(=O)(=O)Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2[N+](=O)[O-])CC1	ZINC000008666884	562948975	/nfs/dbraw/zinc/94/89/75/562948975.db2.gz	QVBAQHGBYLROFX-UHFFFAOYSA-N	-2	0	463.468	3.028	50	5		JGBARL
O=C([O-])c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000004016375	194370089	/nfs/dbraw/zinc/37/00/89/194370089.db2.gz	KZEADVVBOHFKII-UHFFFAOYSA-N	-2	0	494.372	3.404	50	5		JGBARL
O=C([O-])c1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1	ZINC000002924258	194170667	/nfs/dbraw/zinc/17/06/67/194170667.db2.gz	HDEQQWBFRYLMTC-UHFFFAOYSA-N	-2	0	494.372	3.404	50	5		JGBARL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)c3ccc(C(=O)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c1	ZINC000003144056	194231645	/nfs/dbraw/zinc/23/16/45/194231645.db2.gz	GNYQSNLLPWNSAZ-UHFFFAOYSA-N	-2	0	460.354	3.023	50	5		JGBARL
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000002660474	554274240	/nfs/dbraw/zinc/27/42/40/554274240.db2.gz	IQQLFVZIQQDWPB-UHFFFAOYSA-N	-2	0	451.457	3.336	50	5		JGBARL
CCCCOCCCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1[O-]	ZINC000032914287	556538715	/nfs/dbraw/zinc/53/87/15/556538715.db2.gz	SSDGIQXHEWMDPK-UHFFFAOYSA-N	-2	0	451.501	3.038	50	5		JGBARL
COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c(OC)c1	ZINC000016384205	524692498	/nfs/dbraw/zinc/69/24/98/524692498.db2.gz	VPSWWVJFCKBTMI-UHFFFAOYSA-N	-2	0	493.519	3.214	50	5		JGBARL
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000002871612	554395954	/nfs/dbraw/zinc/39/59/54/554395954.db2.gz	HEMIEZXGGNKBOG-UHFFFAOYSA-N	-2	0	493.519	3.214	50	5		JGBARL
Cc1c(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2	ZINC000012344445	555955911	/nfs/dbraw/zinc/95/59/11/555955911.db2.gz	YFGCULNQLFSZOQ-VQHVLOKHSA-N	-2	0	489.444	3.185	50	5		JGBARL
Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000002751600	554326634	/nfs/dbraw/zinc/32/66/34/554326634.db2.gz	FEFJQGGNOHIPHH-UHFFFAOYSA-N	-2	0	492.491	3.413	50	5		JGBARL
O=C([O-])c1cc(NC(=O)c2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)cc(C(=O)[O-])c1	ZINC000003144205	554427033	/nfs/dbraw/zinc/42/70/33/554427033.db2.gz	SRHMBMBZLKOSHS-UHFFFAOYSA-N	-2	0	475.369	3.044	50	5		JGBARL
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000016215374	524870924	/nfs/dbraw/zinc/87/09/24/524870924.db2.gz	VADXIRGSFOIELM-UHFFFAOYSA-N	-2	0	493.519	3.214	50	5		JGBARL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000008434900	554587008	/nfs/dbraw/zinc/58/70/08/554587008.db2.gz	GCNSUMZNJKDZIA-UHFFFAOYSA-N	-2	0	478.464	3.105	50	5		JGBARL
O=C([O-])c1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C3=O)cc(C(=O)[O-])c1	ZINC000013896343	555643398	/nfs/dbraw/zinc/64/33/98/555643398.db2.gz	TWNZOGVMYGYWBP-UHFFFAOYSA-N	-2	0	475.369	3.044	50	5		JGBARL
COc1ccc(Cl)cc1NC(=O)COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1	ZINC000009295548	555071834	/nfs/dbraw/zinc/07/18/34/555071834.db2.gz	YWMYFOFXYVDLLL-RUDMXATFSA-N	-2	0	472.841	3.234	50	5		JGBARL
CCCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2[O-])c([N+](=O)[O-])c1	ZINC000019877824	555524439	/nfs/dbraw/zinc/52/44/39/555524439.db2.gz	KVAFODIRZBVYRT-UHFFFAOYSA-N	-2	0	479.536	3.333	50	5		JGBARL
COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c(OC)c1	ZINC000002814743	554362124	/nfs/dbraw/zinc/36/21/24/554362124.db2.gz	YOZVBFCCOUCBCB-UHFFFAOYSA-N	-2	0	493.519	3.214	50	5		JGBARL
COc1ccc(C(=O)COC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000035515167	563120173	/nfs/dbraw/zinc/12/01/73/563120173.db2.gz	PWAJCFGQHHRUJH-UHFFFAOYSA-N	-2	0	486.458	3.150	50	5		JGBARL
O=C([O-])c1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc([N+](=O)[O-])c2)C3=O)cc(C(=O)[O-])c1	ZINC000002869823	526350972	/nfs/dbraw/zinc/35/09/72/526350972.db2.gz	DQLDIVRQZWCMIL-UHFFFAOYSA-N	-2	0	475.369	3.044	50	5		JGBARL
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	ZINC000020457105	527376588	/nfs/dbraw/zinc/37/65/88/527376588.db2.gz	XQVDKYWGRAMRBD-UHFFFAOYSA-N	-2	0	478.464	3.105	50	5		JGBARL
COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(OC)c1	ZINC000002864409	554390917	/nfs/dbraw/zinc/39/09/17/554390917.db2.gz	TUUZZINOSWNIHU-UHFFFAOYSA-N	-2	0	493.519	3.214	50	5		JGBARL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)c1	ZINC000002981409	554417770	/nfs/dbraw/zinc/41/77/70/554417770.db2.gz	PUQNZTZBCUMUKI-UHFFFAOYSA-N	-2	0	460.354	3.023	50	5		JGBARL
O=C([O-])c1cc(NC(=O)c2cccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)c2)cc(C(=O)[O-])c1	ZINC000003144217	554426978	/nfs/dbraw/zinc/42/69/78/554426978.db2.gz	ZZEWGICMSKVGGS-UHFFFAOYSA-N	-2	0	475.369	3.044	50	5		JGBARL