smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc(C[NH+]2CCCCC2)oc(CN2CCN(c3ccccc3)CC2)c1O	ZINC000218364482	136203687	/nfs/dbraw/zinc/20/36/87/136203687.db2.gz	TWVHZNFNCSNMBT-UHFFFAOYSA-N	1	1	383.492	2.654	50	70		GFIAMO
C[NH+]1CCC(C(=O)NCc2n[nH]c(-c3ccccc3)n2)(c2ccccc2)CC1	ZINC000217588844	570318815	/nfs/dbraw/zinc/31/88/15/570318815.db2.gz	AASVZSSEQLJXPB-UHFFFAOYSA-N	1	1	375.476	2.752	50	70		GFIAMO
C[NH+]1CCC(C(=O)NCc2nc(-c3ccccc3)n[nH]2)(c2ccccc2)CC1	ZINC000217588844	570318818	/nfs/dbraw/zinc/31/88/18/570318818.db2.gz	AASVZSSEQLJXPB-UHFFFAOYSA-N	1	1	375.476	2.752	50	70		GFIAMO
O=c1cc(C[NH+]2CCCCC2)oc(CN2CCO[C@@H](c3ccccc3)C2)c1O	ZINC000218349379	570331987	/nfs/dbraw/zinc/33/19/87/570331987.db2.gz	PIQUZNWWIFFQTB-HXUWFJFHSA-N	1	1	384.476	2.905	50	70		GFIAMO
C[C@H](O)c1cc2n(n1)CCC[N@@H+](CCC(=O)NCc1cccc(Cl)c1)C2	ZINC000217428373	570315865	/nfs/dbraw/zinc/31/58/65/570315865.db2.gz	WBQCBADOCBBSRN-AWEZNQCLSA-N	1	1	376.888	2.502	50	70		GFIAMO
O=c1cc(C[NH+]2CCCCC2)oc(CN2CCO[C@H](c3ccccc3)C2)c1O	ZINC000218349295	570331917	/nfs/dbraw/zinc/33/19/17/570331917.db2.gz	PIQUZNWWIFFQTB-FQEVSTJZSA-N	1	1	384.476	2.905	50	70		GFIAMO
O=c1cc(CN2CCN(c3ccccc3)CC2)oc(C[NH+]2CCCCC2)c1O	ZINC000218343731	136203718	/nfs/dbraw/zinc/20/37/18/136203718.db2.gz	LNDXDSHXCAKCFS-UHFFFAOYSA-N	1	1	383.492	2.654	50	70		GFIAMO
O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CCN(c2ccc(Cl)nn2)CC1	ZINC000217595112	136203363	/nfs/dbraw/zinc/20/33/63/136203363.db2.gz	JUIUOTIUIWZUJS-DLBZAZTESA-N	1	1	391.947	2.727	50	70		GFIAMO
C[C@@H](O)c1cc2n(n1)CCC[N@@H+](CCC(=O)NCc1cccc(Cl)c1)C2	ZINC000217428288	533863760	/nfs/dbraw/zinc/86/37/60/533863760.db2.gz	WBQCBADOCBBSRN-CQSZACIVSA-N	1	1	376.888	2.502	50	70		GFIAMO