smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N[NH+]=Cc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000006078418	552529820	/nfs/dbraw/zinc/52/98/20/552529820.db2.gz	NNGZYXBCTDJZAE-ZTKZIYFRSA-N	2	2	595.682	4.302	50	30		KIEALP
C=CCOc1ccccc1C[NH+]1CC[C@@H]([N@H+]2CCc3cc(OC)c(OC)cc3C2)[C@@H](CCC(=O)OC)C1	ZINC000014990366	553523823	/nfs/dbraw/zinc/52/38/23/553523823.db2.gz	LKZCUCNXPJKOCC-JYFHCDHNSA-N	2	2	508.659	4.471	50	30		KIEALP
C=CCOc1ccccc1C[NH+]1CC[C@@H]([N@@H+]2CCc3cc(OC)c(OC)cc3C2)[C@@H](CCC(=O)OC)C1	ZINC000014990366	553523821	/nfs/dbraw/zinc/52/38/21/553523821.db2.gz	LKZCUCNXPJKOCC-JYFHCDHNSA-N	2	2	508.659	4.471	50	30		KIEALP
C=CCOc1ccccc1C[N@H+]1CC[C@@H]([NH+]2CCc3cc(OC)c(OC)cc3C2)[C@@H](CCC(=O)OC)C1	ZINC000014990366	553523820	/nfs/dbraw/zinc/52/38/20/553523820.db2.gz	LKZCUCNXPJKOCC-JYFHCDHNSA-N	2	2	508.659	4.471	50	30		KIEALP
C=CCOc1ccccc1C[N@@H+]1CC[C@@H]([NH+]2CCc3cc(OC)c(OC)cc3C2)[C@@H](CCC(=O)OC)C1	ZINC000014990366	553523818	/nfs/dbraw/zinc/52/38/18/553523818.db2.gz	LKZCUCNXPJKOCC-JYFHCDHNSA-N	2	2	508.659	4.471	50	30		KIEALP
C=CCOc1ccccc1C[N@H+]1CC[C@@H]([NH+]2CCN(c3ccccc3OC)CC2)[C@@H](CCC(=O)OC)C1	ZINC000015070959	553527373	/nfs/dbraw/zinc/52/73/73/553527373.db2.gz	XVQABBJPZGPXMH-AZGAKELHSA-N	2	2	507.675	4.226	50	30		KIEALP
C=CCOc1ccccc1C[N@@H+]1CC[C@@H]([NH+]2CCN(c3ccccc3OC)CC2)[C@@H](CCC(=O)OC)C1	ZINC000015070959	553527371	/nfs/dbraw/zinc/52/73/71/553527371.db2.gz	XVQABBJPZGPXMH-AZGAKELHSA-N	2	2	507.675	4.226	50	30		KIEALP
CC(C)CN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N[NH+]=Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](C)CC1	ZINC000100055843	554196229	/nfs/dbraw/zinc/19/62/29/554196229.db2.gz	BIERDUFAYVSUIK-JVWAILMASA-N	2	2	575.692	4.004	50	30		KIEALP
CC(C)CN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N[NH+]=Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](C)CC1	ZINC000252593032	572266738	/nfs/dbraw/zinc/26/67/38/572266738.db2.gz	BIERDUFAYVSUIK-UHFFFAOYSA-N	2	2	575.692	4.004	50	30		KIEALP