smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCOc1ccc(O[C@H]2CCCC[C@H]2[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1	ZINC001461189913	1067796096	/nfs/dbraw/zinc/79/60/96/1067796096.db2.gz	DYJUNMOKFXTUHJ-VPUSJEBWSA-N	2	1	455.618	4.846	20	10		JJCDMP
CCCOc1ccc(O[C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1	ZINC001461189912	1067796078	/nfs/dbraw/zinc/79/60/78/1067796078.db2.gz	DYJUNMOKFXTUHJ-BDYUSTAISA-N	2	1	455.618	4.846	20	10		JJCDMP
c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC4(CC[NH2+]CC4)c4c3cccc4-c3cccnc3)C2)cc1	ZINC001164905387	721568351	/nfs/dbraw/zinc/56/83/51/721568351.db2.gz	HBTFDRQCXLMHPP-UHFFFAOYSA-N	2	1	488.639	4.870	20	10		JJCDMP
c1ccc(C[N@H+]2CCc3c(ncnc3N3CC4(CC[NH2+]CC4)c4c3cccc4-c3cccnc3)C2)cc1	ZINC001164905387	721568355	/nfs/dbraw/zinc/56/83/55/721568355.db2.gz	HBTFDRQCXLMHPP-UHFFFAOYSA-N	2	1	488.639	4.870	20	10		JJCDMP
CN(C)c1ccc([C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)NC(=O)OC(C)(C)C)cc1	ZINC001461402833	1067847143	/nfs/dbraw/zinc/84/71/43/1067847143.db2.gz	YXNDQYCADASYEE-VWLOTQADSA-N	2	1	452.643	4.573	20	10		JJCDMP
COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)s2)cc1	ZINC001461217693	1067801597	/nfs/dbraw/zinc/80/15/97/1067801597.db2.gz	PFHMEZWHLRTEPP-KRWDZBQOSA-N	2	1	454.615	4.869	20	10		JJCDMP
Fc1ccc(Br)c(F)c1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC001461355282	1067837336	/nfs/dbraw/zinc/83/73/36/1067837336.db2.gz	RELMKWZJNXFGLY-UHFFFAOYSA-N	2	1	450.371	4.549	20	10		JJCDMP
CCCOc1ccc(O[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1	ZINC001461189914	1067796048	/nfs/dbraw/zinc/79/60/48/1067796048.db2.gz	DYJUNMOKFXTUHJ-XNMGPUDCSA-N	2	1	455.618	4.846	20	10		JJCDMP
CCCOc1ccc(O[C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1	ZINC001461189911	1067795898	/nfs/dbraw/zinc/79/58/98/1067795898.db2.gz	DYJUNMOKFXTUHJ-AHKZPQOWSA-N	2	1	455.618	4.846	20	10		JJCDMP
C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCN(c4ccc(Cl)cc4Cl)C3)cc2F)CC1	ZINC001461487080	1067872955	/nfs/dbraw/zinc/87/29/55/1067872955.db2.gz	IKMLFFZMUVGHSN-LJQANCHMSA-N	2	1	451.417	4.643	20	10		JJCDMP
C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCN(c4ccc(Cl)cc4Cl)C3)cc2F)CC1	ZINC001461487073	1067873066	/nfs/dbraw/zinc/87/30/66/1067873066.db2.gz	IKMLFFZMUVGHSN-IBGZPJMESA-N	2	1	451.417	4.643	20	10		JJCDMP
O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1	ZINC001459471471	1067333565	/nfs/dbraw/zinc/33/35/65/1067333565.db2.gz	ZLAPEIMBOYNGLG-XMMPIXPASA-N	2	1	456.030	4.744	20	10		JJCDMP
O=C(C[N@H+](Cc1ccccc1O)C1CCCC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1	ZINC001459471471	1067333579	/nfs/dbraw/zinc/33/35/79/1067333579.db2.gz	ZLAPEIMBOYNGLG-XMMPIXPASA-N	2	1	456.030	4.744	20	10		JJCDMP
O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1	ZINC001459471470	1067333903	/nfs/dbraw/zinc/33/39/03/1067333903.db2.gz	ZLAPEIMBOYNGLG-DEOSSOPVSA-N	2	1	456.030	4.744	20	10		JJCDMP
O=C(C[N@H+](Cc1ccccc1O)C1CCCC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1	ZINC001459471470	1067333915	/nfs/dbraw/zinc/33/39/15/1067333915.db2.gz	ZLAPEIMBOYNGLG-DEOSSOPVSA-N	2	1	456.030	4.744	20	10		JJCDMP
COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)s2)cc1	ZINC001461217694	1067801634	/nfs/dbraw/zinc/80/16/34/1067801634.db2.gz	PFHMEZWHLRTEPP-QGZVFWFLSA-N	2	1	454.615	4.869	20	10		JJCDMP
CN(C)c1ccc([C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)NC(=O)OC(C)(C)C)cc1	ZINC001461402831	1067847199	/nfs/dbraw/zinc/84/71/99/1067847199.db2.gz	YXNDQYCADASYEE-RUZDIDTESA-N	2	1	452.643	4.573	20	10		JJCDMP