smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(NC[C@H]2CN(C)CCN2C)nc(NC[C@@H]2CN(C)CCN2C)c1[N+](=O)[O-]	ZINC000501293625	1070973114	/nfs/dbraw/zinc/97/31/14/1070973114.db2.gz	YSXPOUBHIZKSFV-CVEARBPZSA-N	0	3	421.550	-1.148	20	5		HABDHN
Cc1nc(NC[C@H]2CN(C)CCN2C)nc(NC[C@H]2CN(C)CCN2C)c1[N+](=O)[O-]	ZINC000501293626	1070973231	/nfs/dbraw/zinc/97/32/31/1070973231.db2.gz	YSXPOUBHIZKSFV-HOTGVXAUSA-N	0	3	421.550	-1.148	20	5		HABDHN
Cc1nc(NC[C@@H]2CN(C)CCN2C)nc(NC[C@@H]2CN(C)CCN2C)c1[N+](=O)[O-]	ZINC000501293627	1070973155	/nfs/dbraw/zinc/97/31/55/1070973155.db2.gz	YSXPOUBHIZKSFV-HZPDHXFCSA-N	0	3	421.550	-1.148	20	5		HABDHN
Cc1nc(NC[C@@H]2CN(C)CCN2C)nc(NC[C@H]2CN(C)CCN2C)c1[N+](=O)[O-]	ZINC000501293628	1070973303	/nfs/dbraw/zinc/97/33/03/1070973303.db2.gz	YSXPOUBHIZKSFV-JKSUJKDBSA-N	0	3	421.550	-1.148	20	5		HABDHN
CN(CC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000584361780	1070876450	/nfs/dbraw/zinc/87/64/50/1070876450.db2.gz	CUWFURCPWDIPHI-GXTWGEPZSA-N	0	3	411.440	-1.014	20	5		HABDHN
CN(CC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000584361781	1070876498	/nfs/dbraw/zinc/87/64/98/1070876498.db2.gz	CUWFURCPWDIPHI-JSGCOSHPSA-N	0	3	411.440	-1.014	20	5		HABDHN
CN(CC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000584361782	1070876736	/nfs/dbraw/zinc/87/67/36/1070876736.db2.gz	CUWFURCPWDIPHI-OCCSQVGLSA-N	0	3	411.440	-1.014	20	5		HABDHN
CN(CC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000584361783	1070876973	/nfs/dbraw/zinc/87/69/73/1070876973.db2.gz	CUWFURCPWDIPHI-TZMCWYRMSA-N	0	3	411.440	-1.014	20	5		HABDHN
N[C@H]1[C@H](n2ccc(Nc3cc4c(cc3[N+](=O)[O-])CNC4)nc2=O)O[C@H](CO)[C@H]1O	ZINC001171264332	1071767702	/nfs/dbraw/zinc/76/77/02/1071767702.db2.gz	AEZROILBOMGOIE-DTZQCDIJSA-N	0	3	404.383	-1.090	20	5		HABDHN
COc1cc(N2CCC(N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)CC2)ccc1[N+](=O)[O-]	ZINC001256088192	1072327435	/nfs/dbraw/zinc/32/74/35/1072327435.db2.gz	CPJXVWNHWUHOST-DUQPFJRNSA-N	0	3	413.427	-1.038	20	5		HABDHN
COc1cc(N2CCC(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)CC2)ccc1[N+](=O)[O-]	ZINC001256088193	1072327596	/nfs/dbraw/zinc/32/75/96/1072327596.db2.gz	CPJXVWNHWUHOST-ZKXLYKBJSA-N	0	3	413.427	-1.038	20	5		HABDHN