smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(CN2CCCN(Cc3cc(Br)ccc3O)CC2)no1	ZINC000179214217	552187510	/nfs/dbraw/zinc/18/75/10/552187510.db2.gz	OHOLLLDCXGXVEU-UHFFFAOYSA-N	-1	1	381.274	2.554	10	10		GFCEMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCCc1ccccc1	ZINC000096193592	208283791	/nfs/dbraw/zinc/28/37/91/208283791.db2.gz	CXLOIHFHPXWIOO-UHFFFAOYSA-N	-1	1	396.468	2.621	10	10		GFCEMM
COc1ccccc1OCCSc1nc(-c2ccco2)nc2cc(=O)[n-]n21	ZINC000006915814	570703226	/nfs/dbraw/zinc/70/32/26/570703226.db2.gz	FOTJXUQWLHUOKX-UHFFFAOYSA-N	-1	1	384.417	2.857	10	10		GFCEMM
COc1ccc(Oc2coc3c(ccc([O-])c3C[N@@H+](C)CC(=O)[O-])c2=O)cc1	ZINC000094993344	211217417	/nfs/dbraw/zinc/21/74/17/211217417.db2.gz	DUYJVHCHUZJSCJ-UHFFFAOYSA-N	-1	1	385.372	2.816	10	10		GFCEMM
O=C([O-])[C@@H](Cc1ccccc1)N=C1NC(=O)C(=Cc2ccc3c(c2)OCO3)S1	ZINC000005769171	204150710	/nfs/dbraw/zinc/15/07/10/204150710.db2.gz	QRUOWJRBFSZLFF-AYCSXLNKSA-N	-1	1	396.424	2.671	10	10		GFCEMM
COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Br)c1OC	ZINC000096476659	655031253	/nfs/dbraw/zinc/03/12/53/655031253.db2.gz	SNYHNFQERBKCPA-XBXARRHUSA-N	-1	1	385.239	2.563	10	10		GFCEMM