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	721466375	/nfs/dbraw/zinc/46/63/75/721466375.db2.gz	YNTQMCAGJBQDAK-IBGZPJMESA-N	1	0	451.011	2.993	20	50		JFGDRO
COc1cc(C=NNC(=O)C[N+](C)(C)C)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000916270461	717193207	/nfs/dbraw/zinc/19/32/07/717193207.db2.gz	HHMZRASLZDIGTM-UHFFFAOYSA-O	1	0	475.374	2.926	20	50		JFGDRO
O=C(OCCCl)N1CCc2nc(Cl)nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2C1	ZINC001164733293	720557813	/nfs/dbraw/zinc/55/78/13/720557813.db2.gz	KNTBKRMYTPCDAJ-UHFFFAOYSA-N	1	0	494.427	2.719	20	50		JFGDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(NC(=O)CCl)cn1)CC2	ZINC001164786812	721470973	/nfs/dbraw/zinc/47/09/73/721470973.db2.gz	CHGBLUPOETWITM-HXUWFJFHSA-N	1	0	451.011	2.993	20	50		JFGDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1NC(=O)CCl)CC2	ZINC001164791765	721466968	/nfs/dbraw/zinc/46/69/68/721466968.db2.gz	YNTQMCAGJBQDAK-LJQANCHMSA-N	1	0	451.011	2.993	20	50		JFGDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(NC(=O)CCl)cn1)CC2	ZINC001164786807	721470778	/nfs/dbraw/zinc/47/07/78/721470778.db2.gz	CHGBLUPOETWITM-FQEVSTJZSA-N	1	0	451.011	2.993	20	50		JFGDRO