smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@H](NC(=O)C[NH+](CC)CC)C(C)(C)O2	ZINC000028705841	561949228	/nfs/dbraw/zinc/94/92/28/561949228.db2.gz	RPYALSUQNBUASR-VWLOTQADSA-N	2	1	522.690	4.240	1	5		KIBFMP
CC[NH+](CC)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@@H](NC(=O)C[NH+](CC)CC)C(C)(C)O2	ZINC000028705844	561949266	/nfs/dbraw/zinc/94/92/66/561949266.db2.gz	RPYALSUQNBUASR-RUZDIDTESA-N	2	1	522.690	4.240	1	5		KIBFMP
C=C1[NH2+]C(=C)C(C(=O)OCC[N@@H+](C)C[C@@H]2COc3ccccc3O2)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC	ZINC000029204222	562004890	/nfs/dbraw/zinc/00/48/90/562004890.db2.gz	JBGWBMCVMVJNTC-NLHYWVHXSA-N	2	1	537.569	4.158	1	5		KIBFMP
C=C1[NH2+]C(=C)C(C(=O)OCC[N@@H+](C)C[C@@H]2COc3ccccc3O2)[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC	ZINC000029204227	562004900	/nfs/dbraw/zinc/00/49/00/562004900.db2.gz	JBGWBMCVMVJNTC-JVZBGVBISA-N	2	1	537.569	4.158	1	5		KIBFMP
C=C1[NH2+]C(=C)C(C(=O)OCC[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC	ZINC000029210055	562005647	/nfs/dbraw/zinc/00/56/47/562005647.db2.gz	RXFTYUBJWFLBQV-RXDXAXPSSA-N	2	1	575.622	4.366	1	5		KIBFMP
C=C1[NH2+]C(=C)C(C(=O)OCC[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC	ZINC000029210060	562005703	/nfs/dbraw/zinc/00/57/03/562005703.db2.gz	RXFTYUBJWFLBQV-XXASTYAFSA-N	2	1	575.622	4.366	1	5		KIBFMP
C=C1[NH2+]C(=C)C(C(=O)OCC[N@@H+](C)C[C@@H]2COc3ccccc3O2)[C@H](c2ccccc2[N+](=O)[O-])C1C(=O)OC	ZINC000029211580	562005789	/nfs/dbraw/zinc/00/57/89/562005789.db2.gz	YPULZJXQBKVULX-VRXFCTIQSA-N	2	1	537.569	4.158	1	5		KIBFMP
C=C1[NH2+]C(=C)C(C(=O)OCC[N@@H+](C)C[C@@H]2COc3ccccc3O2)[C@@H](c2ccccc2[N+](=O)[O-])C1C(=O)OC	ZINC000029211585	562005816	/nfs/dbraw/zinc/00/58/16/562005816.db2.gz	YPULZJXQBKVULX-CTOOMRTGSA-N	2	1	537.569	4.158	1	5		KIBFMP
O=C(N[C@H]1CC[N@H+](CCc2ccc(OC3CC[NH2+]CC3)c([N+](=O)[O-])c2)C1)c1ccc(Cl)c(Cl)c1	ZINC000040933868	562084599	/nfs/dbraw/zinc/08/45/99/562084599.db2.gz	XBPOLWOQOJICCC-SFHVURJKSA-N	2	1	507.418	4.079	1	5		KIBFMP
C[NH+](C)CCNC(=O)c1ccc(NCCC[N@@H+](C)CCCN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c43)C2=O)c2c(=O)c3ccccc3[nH]c12	ZINC000049615866	562666697	/nfs/dbraw/zinc/66/66/97/562666697.db2.gz	XTFKWUVTEZMQOQ-UHFFFAOYSA-N	2	1	677.762	4.454	1	5		KIBFMP
C[NH+](C)CCNC(=O)c1ccc(NCCC[N@@H+](C)CCCN2C(=O)c3cccc4cccc(c43)C2=O)c2c(=O)c3cc([N+](=O)[O-])ccc3[nH]c12	ZINC000049639844	562667807	/nfs/dbraw/zinc/66/78/07/562667807.db2.gz	LLIAFROZEOYPPM-UHFFFAOYSA-N	2	1	677.762	4.454	1	5		KIBFMP
C[NH+](C)CCNC(=O)c1ccc(NCCC[N@@H+](C)CCCN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c43)C2=O)c2c(=O)c3cc([N+](=O)[O-])ccc3[nH]c12	ZINC000049650260	562668067	/nfs/dbraw/zinc/66/80/67/562668067.db2.gz	BPBSPCUCFQMDKR-UHFFFAOYSA-N	2	1	722.759	4.362	1	5		KIBFMP
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CC[N+]6(CC5)CC[NH+](C)CC6)CCOCC4)c3Cl)c2n1	ZINC000082178417	562741711	/nfs/dbraw/zinc/74/17/11/562741711.db2.gz	SGMIXNIXHTVPCN-UHFFFAOYSA-N	2	1	691.702	4.169	1	5		KIBFMP
C[NH+](C)CCNc1ccc(C(=O)NCCC[N@@H+](C)CCCNC(=O)c2cc(NCC[NH+](C)C)c3c(c2)[nH]c2ccccc2c3=O)c2[nH]c3ccccc3c(=O)c12	ZINC000095546141	562758330	/nfs/dbraw/zinc/75/83/30/562758330.db2.gz	YIAKCAQFRPYEOW-UHFFFAOYSA-N	3	1	759.956	4.495	1	5		KIBFMP
O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1CCCCNCC[NH2+]CCCNCC[NH2+]CCCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O	ZINC000095616048	562787761	/nfs/dbraw/zinc/78/77/61/562787761.db2.gz	DNDDSSPRTBVFCY-UHFFFAOYSA-N	2	1	752.829	4.011	1	5		KIBFMP
C[NH+](C)CCCn1c(=O)c2ccc(NCCC[N@@H+](C)CCCN3C(=O)c4cccc5cccc(c54)C3=O)c3c(=O)c4ccccc4n(c1=O)c23	ZINC000150556508	562844734	/nfs/dbraw/zinc/84/47/34/562844734.db2.gz	RXCYGKGPMYQOSO-UHFFFAOYSA-N	2	1	672.786	4.091	1	5		KIBFMP
C[NH+](C)CCNC(=O)c1ccc(NCCC[N@@H+](C)CCCNc2ccc3c(=O)n(CC[NH+](C)C)c(=O)n4c5ccccc5c(=O)c2c34)c2c(=O)c3ccccc3[nH]c12	ZINC000150596053	562846649	/nfs/dbraw/zinc/84/66/49/562846649.db2.gz	FRXXLEVKKOPXAL-UHFFFAOYSA-N	3	1	785.950	4.062	1	5		KIBFMP
C=C1[NH2+]C(=C)C(C(=O)OCC[N@@H+](C)C[C@H]2COc3ccccc3O2)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC	ZINC000169297333	562852513	/nfs/dbraw/zinc/85/25/13/562852513.db2.gz	JBGWBMCVMVJNTC-ZZWGLNIPSA-N	2	1	537.569	4.158	1	5		KIBFMP
C=C1[NH2+]C(=C)C(C(=O)OCC[N@@H+](C)C[C@H]2COc3ccccc3O2)[C@H](c2ccccc2[N+](=O)[O-])C1C(=O)OC	ZINC000169304386	562853288	/nfs/dbraw/zinc/85/32/88/562853288.db2.gz	YPULZJXQBKVULX-ZOOYKHNTSA-N	2	1	537.569	4.158	1	5		KIBFMP
O=C(CC[NH+]1CCCC[C@@H]1CCO)Nc1ccc2c(c1)[nH]c1ccc(NC(=O)CC[N@H+]3CCCC[C@@H]3CCO)cc1c2=O	ZINC000169723117	562871345	/nfs/dbraw/zinc/87/13/45/562871345.db2.gz	JCDJTQVXTSHHLI-CLJLJLNGSA-N	2	1	591.753	4.225	1	5		KIBFMP
O=C(CC[NH+]1CCCC[C@@H]1CCO)Nc1ccc2c(c1)[nH]c1ccc(NC(=O)CC[N@@H+]3CCCC[C@@H]3CCO)cc1c2=O	ZINC000169723117	562871344	/nfs/dbraw/zinc/87/13/44/562871344.db2.gz	JCDJTQVXTSHHLI-CLJLJLNGSA-N	2	1	591.753	4.225	1	5		KIBFMP
O=C(CC[NH+]1CCCC[C@@H]1CCO)Nc1ccc2[nH]c3cc(NC(=O)CC[N@@H+]4CCCC[C@@H]4CCO)ccc3c(=O)c2c1	ZINC000169723117	562871343	/nfs/dbraw/zinc/87/13/43/562871343.db2.gz	JCDJTQVXTSHHLI-CLJLJLNGSA-N	2	1	591.753	4.225	1	5		KIBFMP
O=C(CC[NH+]1CCCC[C@H]1CCO)Nc1ccc2c(c1)[nH]c1ccc(NC(=O)CC[N@H+]3CCCC[C@@H]3CCO)cc1c2=O	ZINC000169723118	562871339	/nfs/dbraw/zinc/87/13/39/562871339.db2.gz	JCDJTQVXTSHHLI-FTJBHMTQSA-N	2	1	591.753	4.225	1	5		KIBFMP
O=C(CC[NH+]1CCCC[C@H]1CCO)Nc1ccc2c(c1)[nH]c1ccc(NC(=O)CC[N@@H+]3CCCC[C@@H]3CCO)cc1c2=O	ZINC000169723118	562871338	/nfs/dbraw/zinc/87/13/38/562871338.db2.gz	JCDJTQVXTSHHLI-FTJBHMTQSA-N	2	1	591.753	4.225	1	5		KIBFMP
O=C(CC[NH+]1CCCC[C@@H]1CCO)Nc1ccc2[nH]c3cc(NC(=O)CC[N@@H+]4CCCC[C@H]4CCO)ccc3c(=O)c2c1	ZINC000169723118	562871337	/nfs/dbraw/zinc/87/13/37/562871337.db2.gz	JCDJTQVXTSHHLI-FTJBHMTQSA-N	2	1	591.753	4.225	1	5		KIBFMP
CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCC[N@H+]3CCN1CCN(CC[N@+]2(C(=O)CN)CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1	ZINC000299806147	717180361	/nfs/dbraw/zinc/18/03/61/717180361.db2.gz	LJLLQFBLLBGTOU-IFHLRJAOSA-O	2	1	708.972	4.065	1	5		KIBFMP
CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCC[N@H+]3CCN1CCN(CC[N@@+]2(C(=O)CN)CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1	ZINC000299806148	717180297	/nfs/dbraw/zinc/18/02/97/717180297.db2.gz	LJLLQFBLLBGTOU-QLKIZYBASA-O	2	1	708.972	4.065	1	5		KIBFMP
Nc1nc(-c2ccc(CCN3CC[NH+](CCCC[NH+]4CCN(c5ccc([N+](=O)[O-])cc5)CC4)CC3)cc2)cs1	ZINC000299824503	562883289	/nfs/dbraw/zinc/88/32/89/562883289.db2.gz	CEDRQUPCCLPEHF-UHFFFAOYSA-N	2	1	549.745	4.063	1	5		KIBFMP
Nc1nc(-c2ccc(CC[NH+]3CCN(CCCCC[NH+]4CCN(c5ccc([N+](=O)[O-])cc5)CC4)CC3)cc2)cs1	ZINC000299829297	562884826	/nfs/dbraw/zinc/88/48/26/562884826.db2.gz	RLHMCIRAWZICJH-UHFFFAOYSA-N	2	1	563.772	4.453	1	5		KIBFMP