smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1NC(=O)CCl)CC2	ZINC001164791763	721466410	/nfs/dbraw/zinc/46/64/10/721466410.db2.gz	YNTQMCAGJBQDAK-IBGZPJMESA-N	1	1	451.011	2.993	20	50		JFGDMO
O=C(OCCCl)N1CCc2nc(Cl)nc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2C1	ZINC001164785445	721401741	/nfs/dbraw/zinc/40/17/41/721401741.db2.gz	LUZIPTWIGMELBN-KBPBESRZSA-N	1	1	483.425	2.888	20	50		JFGDMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(NC(=O)CCl)cn1)CC2	ZINC001164786812	721470976	/nfs/dbraw/zinc/47/09/76/721470976.db2.gz	CHGBLUPOETWITM-HXUWFJFHSA-N	1	1	451.011	2.993	20	50		JFGDMO
O=C(OCCCl)N1CCc2nc(Cl)nc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2C1	ZINC001164785569	721401777	/nfs/dbraw/zinc/40/17/77/721401777.db2.gz	LUZIPTWIGMELBN-ZIAGYGMSSA-N	1	1	483.425	2.888	20	50		JFGDMO
O=C(OCCCl)N1CCc2nc(Cl)nc(N3CC[NH+](CCc4ccccn4)CC3)c2C1	ZINC001165053569	722010814	/nfs/dbraw/zinc/01/08/14/722010814.db2.gz	KBLXORBOZHHFHA-UHFFFAOYSA-N	1	1	465.385	2.623	20	50		JFGDMO
O=C(OCCCl)N1CCc2nc(Cl)nc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2C1	ZINC001164785566	721401652	/nfs/dbraw/zinc/40/16/52/721401652.db2.gz	LUZIPTWIGMELBN-OKILXGFUSA-N	1	1	483.425	2.888	20	50		JFGDMO
O=C(OCCCl)N1CCc2nc(Cl)nc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2C1	ZINC001164785566	721401655	/nfs/dbraw/zinc/40/16/55/721401655.db2.gz	LUZIPTWIGMELBN-OKILXGFUSA-N	1	1	483.425	2.888	20	50		JFGDMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1NC(=O)CCl)CC2	ZINC001164791765	721466970	/nfs/dbraw/zinc/46/69/70/721466970.db2.gz	YNTQMCAGJBQDAK-LJQANCHMSA-N	1	1	451.011	2.993	20	50		JFGDMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(NC(=O)CCl)cn1)CC2	ZINC001164786807	721470783	/nfs/dbraw/zinc/47/07/83/721470783.db2.gz	CHGBLUPOETWITM-FQEVSTJZSA-N	1	1	451.011	2.993	20	50		JFGDMO