smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1ccc([N+](=O)[O-])cc1O)C1[C@@H]2CC/C=C\CC/C=C/CC[C@H]12	ZINC000004595385	204149163	/nfs/dbraw/zinc/14/91/63/204149163.db2.gz	YWCQKKGLXGBROQ-CJSKEXKKSA-N	0	1	356.422	4.568	40	5		FJBBMN
O=C(Nc1ccc([N+](=O)[O-])cc1O)C1[C@H]2CC/C=C/CC/C=C\CC[C@H]12	ZINC000005344249	204204359	/nfs/dbraw/zinc/20/43/59/204204359.db2.gz	YWCQKKGLXGBROQ-OYASFASXSA-N	0	1	356.422	4.568	40	5		FJBBMN
O=[N+]([O-])c1ccc(O)c(/C=C(\c2nc3ccccc3[nH]2)c2ccccc2)c1	ZINC000036208984	204367627	/nfs/dbraw/zinc/36/76/27/204367627.db2.gz	XTWKRNXBXZPMPD-LGMDPLHJSA-N	0	1	357.369	4.766	40	5		FJBBMN
O=[N+]([O-])c1ccc(NCCNCc2c(Cl)cccc2Cl)c(Cl)c1	ZINC000016383709	571177081	/nfs/dbraw/zinc/17/70/81/571177081.db2.gz	LLBXQFKUIHJSQL-UHFFFAOYSA-N	0	1	374.655	4.757	40	5		FJBBMN
COc1ccc2nc(Sc3cc(C(F)(F)F)ccc3[N+](=O)[O-])[nH]c2c1	ZINC000005489949	570662132	/nfs/dbraw/zinc/66/21/32/570662132.db2.gz	SKCKHDSUZJCGIC-UHFFFAOYSA-N	0	1	369.324	4.650	40	5		FJBBMN
O=C(Nc1ccc([N+](=O)[O-])cc1O)C1[C@@H]2CC/C=C/CC/C=C\CC[C@H]12	ZINC000004595386	571098507	/nfs/dbraw/zinc/09/85/07/571098507.db2.gz	YWCQKKGLXGBROQ-IMUUNTMGSA-N	0	1	356.422	4.568	40	5		FJBBMN
O=[N+]([O-])c1ccc(SC2=NCCCN2C2CCCCC2)c(Cl)c1	ZINC000001578201	571160199	/nfs/dbraw/zinc/16/01/99/571160199.db2.gz	GCCJFPLTLVFQJD-UHFFFAOYSA-N	0	1	353.875	4.735	40	5		FJBBMN
Cc1ccc2nc(-c3ccc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3)[nH]c2c1	ZINC000225262972	571318557	/nfs/dbraw/zinc/31/85/57/571318557.db2.gz	BDEDYFWPSARJPO-UHFFFAOYSA-N	0	1	372.384	4.699	40	5		FJBBMN
O=[N+]([O-])c1ccc(CN2CCC(c3nc4ccccc4s3)CC2)cc1	ZINC000004966553	207066199	/nfs/dbraw/zinc/06/61/99/207066199.db2.gz	UGJPLVQQOAHKFN-UHFFFAOYSA-N	0	1	353.447	4.584	40	5		FJBBMN
O=C(Nc1ccc([N+](=O)[O-])cc1O)C1[C@@H]2CC/C=C/CC/C=C\CC[C@@H]12	ZINC000004595387	571098539	/nfs/dbraw/zinc/09/85/39/571098539.db2.gz	YWCQKKGLXGBROQ-UFBKQNNJSA-N	0	1	356.422	4.568	40	5		FJBBMN
CC(C)(C)c1ccc(-c2n[nH]c(SCc3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000009199369	207261004	/nfs/dbraw/zinc/26/10/04/207261004.db2.gz	VLYKSENXJIEJMN-UHFFFAOYSA-N	0	1	368.462	4.970	40	5		FJBBMN
O=[N+]([O-])c1ccc(CSc2nc3ccc(Br)cc3[nH]2)cc1	ZINC000020765226	263382871	/nfs/dbraw/zinc/38/28/71/263382871.db2.gz	LPTNFQLKNGVMJB-UHFFFAOYSA-N	0	1	364.224	4.526	40	5		FJBBMN
CC(C)(C)c1ccc(-c2n[nH]c(-c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1	ZINC000040169668	571089424	/nfs/dbraw/zinc/08/94/24/571089424.db2.gz	LYTCRROFDINIBL-UHFFFAOYSA-N	0	1	356.813	4.998	40	5		FJBBMN
CC(C)(C)c1ccc(-c2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)n[nH]2)cc1	ZINC000040169668	571089426	/nfs/dbraw/zinc/08/94/26/571089426.db2.gz	LYTCRROFDINIBL-UHFFFAOYSA-N	0	1	356.813	4.998	40	5		FJBBMN