smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cnc(Nc2cccc3ccccc32)c([N+](=O)[O-])c1	ZINC000003880293	181051446	/nfs/dbraw/zinc/05/14/46/181051446.db2.gz	MHFNPHYFRNCBFD-UHFFFAOYSA-N	0	2	310.269	3.795	50	5		DHBALN
O=c1ccc2c(-c3ccccc3O)c3ccc(O)cc3oc-2c1	ZINC000004582277	181126766	/nfs/dbraw/zinc/12/67/66/181126766.db2.gz	DTORADINSJYOQB-UHFFFAOYSA-N	0	2	304.301	3.976	50	5		DHBALN
Cc1cc(C)c2oc(-c3ccc(O)c([N+](=O)[O-])c3)cc(=O)c2c1	ZINC000019688954	182136352	/nfs/dbraw/zinc/13/63/52/182136352.db2.gz	HMBDKSAIVOPJQI-UHFFFAOYSA-N	0	2	311.293	3.691	50	5		DHBALN
CC(C)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000000318721	563587556	/nfs/dbraw/zinc/58/75/56/563587556.db2.gz	ARUFYWXAXJSZAH-UHFFFAOYSA-N	0	2	320.370	3.519	50	5		DHBALN
CCOc1ccccc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000005476029	181247875	/nfs/dbraw/zinc/24/78/75/181247875.db2.gz	KZMYKKHDECPBBA-UHFFFAOYSA-N	0	2	320.732	3.899	50	5		DHBALN
CC[C@H](C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1	ZINC000005476446	181248179	/nfs/dbraw/zinc/24/81/79/181248179.db2.gz	ZRTULEOLSRQHEP-ZDUSSCGKSA-N	0	2	302.305	3.866	50	5		DHBALN
Cc1oc2cc(O)ccc2c(=O)c1Oc1ccc([N+](=O)[O-])cc1	ZINC000006200335	181318552	/nfs/dbraw/zinc/31/85/52/181318552.db2.gz	WIUQMSGQMYMHGV-UHFFFAOYSA-N	0	2	313.265	3.508	50	5		DHBALN
O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccccc1Cl	ZINC000103522050	563669473	/nfs/dbraw/zinc/66/94/73/563669473.db2.gz	IDFSEOALACKTMS-UHFFFAOYSA-N	0	2	315.716	3.807	50	5		DHBALN
O=C(Nc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1O	ZINC000003894894	181053769	/nfs/dbraw/zinc/05/37/69/181053769.db2.gz	YBNPSJLQCNCCMD-UHFFFAOYSA-N	0	2	308.293	3.706	50	5		DHBALN
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc2ccccc21	ZINC000043193705	336246137	/nfs/dbraw/zinc/24/61/37/336246137.db2.gz	CMVXRPPPDVLWOC-UHFFFAOYSA-N	0	2	308.293	3.706	50	5		DHBALN
O=[N+]([O-])c1cc(/C=C/c2ccc3cccc(O)c3n2)ccc1O	ZINC000036245338	563454536	/nfs/dbraw/zinc/45/45/36/563454536.db2.gz	VQZQIIPEQUTIDV-QPJJXVBHSA-N	0	2	308.293	3.725	50	5		DHBALN
O=Cc1cc(C23CC4CC(CC(C4)C2)C3)cc([N+](=O)[O-])c1O	ZINC000034766245	568417163	/nfs/dbraw/zinc/41/71/63/568417163.db2.gz	ZIQCUOXEFLMCES-UHFFFAOYSA-N	0	2	301.342	3.581	50	5		DHBALN
CCOc1cc([N+](=O)[O-])cc(-c2nc3ccccc3s2)c1O	ZINC000004662383	181133387	/nfs/dbraw/zinc/13/33/87/181133387.db2.gz	OWGZPWDXJGJNSZ-UHFFFAOYSA-N	0	2	316.338	3.976	50	5		DHBALN
CC[C@@H](C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1	ZINC000005476845	181248171	/nfs/dbraw/zinc/24/81/71/181248171.db2.gz	ZRTULEOLSRQHEP-CYBMUJFWSA-N	0	2	302.305	3.866	50	5		DHBALN
CC(C)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000000326720	180760089	/nfs/dbraw/zinc/76/00/89/180760089.db2.gz	PULLQKAKKBTBSP-UHFFFAOYSA-N	0	2	320.370	3.519	50	5		DHBALN
CC(C)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000007055719	331500995	/nfs/dbraw/zinc/50/09/95/331500995.db2.gz	QNNVGLLWQIMFLB-UHFFFAOYSA-N	0	2	320.370	3.519	50	5		DHBALN
CSc1ccccc1NC(=O)c1noc(C(C)C)c1[N+](=O)[O-]	ZINC000004937513	181175626	/nfs/dbraw/zinc/17/56/26/181175626.db2.gz	YHXLMPZAFASLAL-UHFFFAOYSA-N	0	2	321.358	3.680	50	5		DHBALN
CCOC(=O)c1[nH]c2cc(-c3ccccc3)oc2c1[N+](=O)[O-]	ZINC000075253118	563861864	/nfs/dbraw/zinc/86/18/64/563861864.db2.gz	BEYPUZPIJOIOPY-UHFFFAOYSA-N	0	2	300.270	3.513	50	5		DHBALN