smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1c2ccc(CNCCCCCCC[NH2+]CC3=N[C@H]4[C@@H](C=C3)N(C)c3ncccc3N4C)nc2N(C)c2cccnc21	ZINC000028101197	561901664	/nfs/dbraw/zinc/90/16/64/561901664.db2.gz	OJXKJZFCZSYRAT-AKGWNBJDSA-N	1	3	580.785	4.642	1	10		KJCFHO
CN1c2ccc(CNCCCCCCC[NH2+]CC3=N[C@H]4[C@H](C=C3)N(C)c3ncccc3N4C)nc2N(C)c2cccnc21	ZINC000028101200	561901707	/nfs/dbraw/zinc/90/17/07/561901707.db2.gz	OJXKJZFCZSYRAT-GMCHKSTQSA-N	1	3	580.785	4.642	1	10		KJCFHO
Nc1nc(N)c2c(n1)nc1cc(Cl)ccc1c2Nc1cc(C[NH+]2CCCC2)c([O-])c(C[NH+]2CCCC2)c1	ZINC000028342791	561914358	/nfs/dbraw/zinc/91/43/58/561914358.db2.gz	NIRAWRKYYVGOAO-UHFFFAOYSA-N	1	3	519.053	4.637	1	10		KJCFHO
CN1c2ccc(CNCCCCCCC[NH2+]CC3=N[C@@H]4[C@@H](C=C3)N(C)c3ncccc3N4C)nc2N(C)c2cccnc21	ZINC000038152865	562067445	/nfs/dbraw/zinc/06/74/45/562067445.db2.gz	OJXKJZFCZSYRAT-NSJVFKKDSA-N	1	3	580.785	4.642	1	10		KJCFHO
CN1c2ccc(CNCCCCCCC[NH2+]CC3=N[C@@H]4[C@H](C=C3)N(C)c3ncccc3N4C)nc2N(C)c2cccnc21	ZINC000038152869	562067388	/nfs/dbraw/zinc/06/73/88/562067388.db2.gz	OJXKJZFCZSYRAT-IUDBTDONSA-N	1	3	580.785	4.642	1	10		KJCFHO
COc1ccccc1N1CCN(CCCn2cc(CCC[N@H+]3CCc4cc(O)c(O)cc4[C@H](c4ccccc4C)C3)nn2)CC1	ZINC000049709929	562671471	/nfs/dbraw/zinc/67/14/71/562671471.db2.gz	MPLKOFSZQUCZEC-YTTGMZPUSA-N	1	3	610.803	4.841	1	10		KJCFHO
COc1ccccc1N1CCN(CCCn2cc(CCC[N@@H+]3CCc4cc(O)c(O)cc4[C@H](c4ccccc4C)C3)nn2)CC1	ZINC000049709929	562671470	/nfs/dbraw/zinc/67/14/70/562671470.db2.gz	MPLKOFSZQUCZEC-YTTGMZPUSA-N	1	3	610.803	4.841	1	10		KJCFHO
COc1ccccc1N1CCN(CCCn2cc(CCC[N@H+]3CCc4cc(O)c(O)cc4[C@@H](c4ccccc4C)C3)nn2)CC1	ZINC000049709935	562671466	/nfs/dbraw/zinc/67/14/66/562671466.db2.gz	MPLKOFSZQUCZEC-JGCGQSQUSA-N	1	3	610.803	4.841	1	10		KJCFHO
COc1ccccc1N1CCN(CCCn2cc(CCC[N@@H+]3CCc4cc(O)c(O)cc4[C@@H](c4ccccc4C)C3)nn2)CC1	ZINC000049709935	562671465	/nfs/dbraw/zinc/67/14/65/562671465.db2.gz	MPLKOFSZQUCZEC-JGCGQSQUSA-N	1	3	610.803	4.841	1	10		KJCFHO
COc1ccccc1N1CCN(CCCn2cc(CCC[N@H+]3CCc4cc(O)c(O)cc4[C@H](c4cccc(C)c4)C3)nn2)CC1	ZINC000049744843	562673543	/nfs/dbraw/zinc/67/35/43/562673543.db2.gz	PSLDCUMPPHBRTH-YTTGMZPUSA-N	1	3	610.803	4.841	1	10		KJCFHO
COc1ccccc1N1CCN(CCCn2cc(CCC[N@@H+]3CCc4cc(O)c(O)cc4[C@H](c4cccc(C)c4)C3)nn2)CC1	ZINC000049744843	562673542	/nfs/dbraw/zinc/67/35/42/562673542.db2.gz	PSLDCUMPPHBRTH-YTTGMZPUSA-N	1	3	610.803	4.841	1	10		KJCFHO
COc1ccccc1N1CCN(CCCn2cc(CCC[N@H+]3CCc4cc(O)c(O)cc4[C@@H](c4cccc(C)c4)C3)nn2)CC1	ZINC000049744846	562673528	/nfs/dbraw/zinc/67/35/28/562673528.db2.gz	PSLDCUMPPHBRTH-JGCGQSQUSA-N	1	3	610.803	4.841	1	10		KJCFHO
COc1ccccc1N1CCN(CCCn2cc(CCC[N@@H+]3CCc4cc(O)c(O)cc4[C@@H](c4cccc(C)c4)C3)nn2)CC1	ZINC000049744846	562673527	/nfs/dbraw/zinc/67/35/27/562673527.db2.gz	PSLDCUMPPHBRTH-JGCGQSQUSA-N	1	3	610.803	4.841	1	10		KJCFHO
CCC[NH+](CCC)Cc1cc([C@@H](C)[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2ccc(N3CCN(C)CC3)cc2)ccc1[O-]	ZINC000095587785	562774408	/nfs/dbraw/zinc/77/44/08/562774408.db2.gz	MIRXJTKGBUPTME-XBASIVPDSA-N	1	3	615.863	4.819	1	10		KJCFHO
CCC[NH+](CCC)Cc1cc([C@H](C)[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2ccc(N3CCN(C)CC3)cc2)ccc1[O-]	ZINC000095587786	562774418	/nfs/dbraw/zinc/77/44/18/562774418.db2.gz	MIRXJTKGBUPTME-HZEQOGGFSA-N	1	3	615.863	4.819	1	10		KJCFHO
O=C(CCN1CCCCCC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CC[NH+]3CCCCCC3)cc1C2=O	ZINC000103274993	562823175	/nfs/dbraw/zinc/82/31/75/562823175.db2.gz	WUHDUUAXBKARPP-UHFFFAOYSA-N	1	3	544.696	4.871	1	10		KJCFHO
CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@H]6[C@@H]7O[C@@H]7[C@]78CC[C@@]9(Nc%10ccccc%10[C@@]9%10CC[N@H+]6[C@H]%107)[C@H](C(=O)OC)C8)c([O-])cc5NC4=C(C(=O)OC)C1)[C@@H]32	ZINC000169310404	562854756	/nfs/dbraw/zinc/85/47/56/562854756.db2.gz	OXDKAWCAZOXLTR-RFCYYRAJSA-N	1	3	702.852	4.899	1	10		KJCFHO
CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@H]6[C@@H]7O[C@@H]7[C@]78CC[C@@]9(Nc%10ccccc%10[C@@]9%10CC[N@@H+]6[C@H]%107)[C@H](C(=O)OC)C8)c([O-])cc5NC4=C(C(=O)OC)C1)[C@@H]32	ZINC000169310404	562854755	/nfs/dbraw/zinc/85/47/55/562854755.db2.gz	OXDKAWCAZOXLTR-RFCYYRAJSA-N	1	3	702.852	4.899	1	10		KJCFHO
CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc([C@@H]6[C@@H]7O[C@@H]7[C@]78CC[C@@]9(Nc%10ccccc%10[C@@]9%10CC[NH+]6[C@H]%107)[C@H](C(=O)OC)C8)c([O-])cc5NC4=C(C(=O)OC)C1)[C@@H]32	ZINC000169310404	562854754	/nfs/dbraw/zinc/85/47/54/562854754.db2.gz	OXDKAWCAZOXLTR-RFCYYRAJSA-N	1	3	702.852	4.899	1	10		KJCFHO
CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@@H]6[C@@H]7O[C@@H]7[C@]78CC[C@@]9(Nc%10ccccc%10[C@@]9%10CC[NH+]6[C@H]%107)[C@H](C(=O)OC)C8)c([O-])cc5NC4=C(C(=O)OC)C1)[C@@H]32	ZINC000169310404	562854753	/nfs/dbraw/zinc/85/47/53/562854753.db2.gz	OXDKAWCAZOXLTR-RFCYYRAJSA-N	1	3	702.852	4.899	1	10		KJCFHO