smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc2sc3ccccc3[nH]c-2c2c(=O)c3ccccc3c([O-])c1-2	ZINC000003898658	563491062	/nfs/dbraw/zinc/49/10/62/563491062.db2.gz	RWFQFVVYCOIUAI-UHFFFAOYSA-N	-1	1	345.379	4.115	50	5		EIBAMM
O=c1c2ccccc2c(=O)c2c3[nH]c4ccccc4sc3cc([O-])c12	ZINC000003898658	563491068	/nfs/dbraw/zinc/49/10/68/563491068.db2.gz	RWFQFVVYCOIUAI-UHFFFAOYSA-N	-1	1	345.379	4.115	50	5		EIBAMM
O=C1[N-]C(=S)SC1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000003150822	564155504	/nfs/dbraw/zinc/15/55/04/564155504.db2.gz	AQEZUPQHAAIZRW-KPKJPENVSA-N	-1	1	332.362	4.184	50	5		EIBAMM
CCCCc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000004980372	563993532	/nfs/dbraw/zinc/99/35/32/563993532.db2.gz	NMZHFGHMVTVYCW-UHFFFAOYSA-N	-1	1	348.424	4.047	50	5		EIBAMM
Cc1cc(-c2ccc(C=C3SC(=S)[N-]C3=O)o2)ccc1[N+](=O)[O-]	ZINC000015011586	564018370	/nfs/dbraw/zinc/01/83/70/564018370.db2.gz	XOBPRFCFRIQVBN-NTUHNPAUSA-N	-1	1	346.389	4.492	50	5		EIBAMM
O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1[O-]	ZINC000000304058	563990804	/nfs/dbraw/zinc/99/08/04/563990804.db2.gz	BIAXXLJSMAIZHN-UHFFFAOYSA-N	-1	1	334.331	4.220	50	5		EIBAMM
O=C([N-]c1cc([N+](=O)[O-])ccc1Cl)c1cc(-c2cccs2)on1	ZINC000002802597	564152756	/nfs/dbraw/zinc/15/27/56/564152756.db2.gz	PAKDQRQIENYYBH-UHFFFAOYSA-N	-1	1	349.755	4.217	50	5		EIBAMM
Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2SC(=S)[N-]C2=O)o1	ZINC000032969723	202245347	/nfs/dbraw/zinc/24/53/47/202245347.db2.gz	FUNBDCQKSTYMKF-QPEQYQDCSA-N	-1	1	346.389	4.492	50	5		EIBAMM
CC[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1	ZINC000003125065	564155267	/nfs/dbraw/zinc/15/52/67/564155267.db2.gz	YQYBZRJNPSCVTO-SJCJKPOMSA-N	-1	1	329.352	4.040	50	5		EIBAMM
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2ccccc2c1[O-]	ZINC000000353954	563991524	/nfs/dbraw/zinc/99/15/24/563991524.db2.gz	LGCWJBIGWQYBJP-UHFFFAOYSA-N	-1	1	342.738	4.359	50	5		EIBAMM
CC[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H](C)c1ccccc1	ZINC000003125067	209967131	/nfs/dbraw/zinc/96/71/31/209967131.db2.gz	YQYBZRJNPSCVTO-PXAZEXFGSA-N	-1	1	329.352	4.040	50	5		EIBAMM
Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1[N+](=O)[O-]	ZINC000005063109	210380089	/nfs/dbraw/zinc/38/00/89/210380089.db2.gz	HWXFZOOXKFOGOK-UHFFFAOYSA-N	-1	1	348.424	4.136	50	5		EIBAMM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1	ZINC000000439919	563999325	/nfs/dbraw/zinc/99/93/25/563999325.db2.gz	WIKQAZWHKZQKFQ-UHFFFAOYSA-N	-1	1	348.424	4.002	50	5		EIBAMM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccccc2Cl)c2ncccc12	ZINC000004995454	210353958	/nfs/dbraw/zinc/35/39/58/210353958.db2.gz	BHCNWTTXRGSIGU-UHFFFAOYSA-N	-1	1	344.714	4.448	50	5		EIBAMM
O=C1[N-]C(=S)SC1=CC(Cl)=Cc1ccc([N+](=O)[O-])cc1	ZINC000102603484	564020406	/nfs/dbraw/zinc/02/04/06/564020406.db2.gz	BDSAFOVDXBFDHY-YBMVAOSUSA-N	-1	1	326.786	4.047	50	5		EIBAMM
O=C1[N-]C(=S)SC1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000002930859	564153100	/nfs/dbraw/zinc/15/31/00/564153100.db2.gz	GFDDVTZJRDWAAV-KPKJPENVSA-N	-1	1	332.362	4.184	50	5		EIBAMM
O=C1[N-]C(=S)SC1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000016995369	564115976	/nfs/dbraw/zinc/11/59/76/564115976.db2.gz	GFDDVTZJRDWAAV-GHXNOFRVSA-N	-1	1	332.362	4.184	50	5		EIBAMM
Cn1ncc2c1[nH]c1c(oc3cc([O-])cc(=O)c31)c2-c1ccsc1	ZINC000263587161	257841892	/nfs/dbraw/zinc/84/18/92/257841892.db2.gz	CWXFVMCMFWKABO-UHFFFAOYSA-N	-1	1	337.360	4.007	50	5		EIBAMM
Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2SC(=S)[N-]C2=O)o1	ZINC000001231218	564061098	/nfs/dbraw/zinc/06/10/98/564061098.db2.gz	FUNBDCQKSTYMKF-NTUHNPAUSA-N	-1	1	346.389	4.492	50	5		EIBAMM
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2SC(=S)[N-]C2=O)o1	ZINC000016283262	563807765	/nfs/dbraw/zinc/80/77/65/563807765.db2.gz	WEKUSWVPXQFMST-QPEQYQDCSA-N	-1	1	346.389	4.492	50	5		EIBAMM
CC[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H](C)c1ccccc1	ZINC000003125068	564155283	/nfs/dbraw/zinc/15/52/83/564155283.db2.gz	YQYBZRJNPSCVTO-SJKOYZFVSA-N	-1	1	329.352	4.040	50	5		EIBAMM
COc1ccc([O-])c(C(=O)c2cnc3ccc4ccccc4c3c2)c1	ZINC000003324769	210006627	/nfs/dbraw/zinc/00/66/27/210006627.db2.gz	VIWZDQUPJRBZHH-UHFFFAOYSA-N	-1	1	329.355	4.333	50	5		EIBAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C(C)(C)C)cc1	ZINC000004062652	210111843	/nfs/dbraw/zinc/11/18/43/210111843.db2.gz	NDTIELZWVFOERH-UHFFFAOYSA-N	-1	1	348.424	4.002	50	5		EIBAMM
O=C1[N-]C(=S)SC1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000001452513	564072864	/nfs/dbraw/zinc/07/28/64/564072864.db2.gz	DNCIZVIDQRGWMB-KPKJPENVSA-N	-1	1	332.362	4.184	50	5		EIBAMM
CC[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1	ZINC000003125066	564155293	/nfs/dbraw/zinc/15/52/93/564155293.db2.gz	YQYBZRJNPSCVTO-YVEFUNNKSA-N	-1	1	329.352	4.040	50	5		EIBAMM
O=C1[N-]C(=S)SC1=CC(Cl)=Cc1ccc([N+](=O)[O-])cc1	ZINC000102603481	564020408	/nfs/dbraw/zinc/02/04/08/564020408.db2.gz	BDSAFOVDXBFDHY-YLDLMLGBSA-N	-1	1	326.786	4.047	50	5		EIBAMM