smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCN(C)Cc1c(C)[nH]c2c3ccccc3ccc2c1=O	ZINC000008571840	563347821	/nfs/dbraw/zinc/34/78/21/563347821.db2.gz	HOGOMECAXGTSGL-UHFFFAOYSA-N	0	3	308.425	4.634	50	5		DJBAHN
Cc1[nH]c2c3ccccc3ccc2c(=O)c1CN1CCC(C)CC1	ZINC000008700862	563349079	/nfs/dbraw/zinc/34/90/79/563349079.db2.gz	KAXAKWSGWKUSRN-UHFFFAOYSA-N	0	3	320.436	4.634	50	5		DJBAHN
Cc1[nH]c2c3ccccc3ccc2c(=O)c1CN1CCCC[C@H]1C	ZINC000008691926	563949700	/nfs/dbraw/zinc/94/97/00/563949700.db2.gz	MBOWWKLFHMCHCT-CQSZACIVSA-N	0	3	320.436	4.776	50	5		DJBAHN
Cc1ccc(CN[C@@H](C)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-]	ZINC000061028338	184159645	/nfs/dbraw/zinc/15/96/45/184159645.db2.gz	WLJGUHDQIDKJSL-HNNXBMFYSA-N	0	3	324.424	4.633	50	5		DJBAHN
O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccccc3)s2)cc1	ZINC000237989686	257237870	/nfs/dbraw/zinc/23/78/70/257237870.db2.gz	NRUCCJFWDLRYQT-UHFFFAOYSA-N	0	3	324.405	4.613	50	5		DJBAHN
Cc1ccc([C@@H](C)NC2(c3ccccc3)CCC2)cc1[N+](=O)[O-]	ZINC000170592238	563906709	/nfs/dbraw/zinc/90/67/09/563906709.db2.gz	FPGGNJBQUYJNIC-OAHLLOKOSA-N	0	3	310.397	4.633	50	5		DJBAHN
Cc1ccc(CN[C@H](C)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-]	ZINC000170085800	563903691	/nfs/dbraw/zinc/90/36/91/563903691.db2.gz	WLJGUHDQIDKJSL-OAHLLOKOSA-N	0	3	324.424	4.633	50	5		DJBAHN
Cc1[nH]c2c3ccccc3ccc2c(=O)c1CN1CCCC[C@@H]1C	ZINC000008691925	563949789	/nfs/dbraw/zinc/94/97/89/563949789.db2.gz	MBOWWKLFHMCHCT-AWEZNQCLSA-N	0	3	320.436	4.776	50	5		DJBAHN
CN(C)/C=C/C=C/C=C1\c2ccccc2-c2ccc([N+](=O)[O-])cc21	ZINC000063591210	563837123	/nfs/dbraw/zinc/83/71/23/563837123.db2.gz	BJHYBWMLBMHUNG-PAHYICCGSA-N	0	3	318.376	4.638	50	5		DJBAHN
Cc1ccc([C@H](C)NC2(c3ccccc3)CCC2)cc1[N+](=O)[O-]	ZINC000170592239	563906657	/nfs/dbraw/zinc/90/66/57/563906657.db2.gz	FPGGNJBQUYJNIC-HNNXBMFYSA-N	0	3	310.397	4.633	50	5		DJBAHN
CCOc1ccc2nc(C)cc(Nc3cccc([N+](=O)[O-])c3)c2c1	ZINC000006418676	181339820	/nfs/dbraw/zinc/33/98/20/181339820.db2.gz	JFIRKCGRMORWHA-UHFFFAOYSA-N	0	3	323.352	4.594	50	5		DJBAHN
CCCCCCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000096026831	563935036	/nfs/dbraw/zinc/93/50/36/563935036.db2.gz	RONVKVYGEWLDTE-UHFFFAOYSA-N	0	3	304.434	4.777	50	5		DJBAHN