smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn4)C3)O2)CC1	ZINC001164898444	721432504	/nfs/dbraw/zinc/43/25/04/721432504.db2.gz	VZHGICGUJAFFJV-BJPOTMLSSA-N	2	2	444.580	2.288	20	5		IEBDLP
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn4)C3)O2)CC1	ZINC001164898453	721432234	/nfs/dbraw/zinc/43/22/34/721432234.db2.gz	VZHGICGUJAFFJV-IVFUSOGKSA-N	2	2	444.580	2.288	20	5		IEBDLP
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn4)C3)O2)CC1	ZINC001164898448	721432804	/nfs/dbraw/zinc/43/28/04/721432804.db2.gz	VZHGICGUJAFFJV-BUBNMIKSSA-N	2	2	444.580	2.288	20	5		IEBDLP
O=[N+]([O-])c1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1C1C[NH2+]C1	ZINC001164677095	719532293	/nfs/dbraw/zinc/53/22/93/719532293.db2.gz	BXQLNAVEJMPBRI-UHFFFAOYSA-N	2	2	442.495	2.082	20	5		IEBDLP
O=[N+]([O-])c1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1C1C[NH2+]C1	ZINC001164677095	719532297	/nfs/dbraw/zinc/53/22/97/719532297.db2.gz	BXQLNAVEJMPBRI-UHFFFAOYSA-N	2	2	442.495	2.082	20	5		IEBDLP
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn4)C3)O2)CC1	ZINC001164898451	721432744	/nfs/dbraw/zinc/43/27/44/721432744.db2.gz	VZHGICGUJAFFJV-HTNXSTSNSA-N	2	2	444.580	2.288	20	5		IEBDLP