smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=Nc2c(c(=O)[n-]n2C2CCCCCC2)[C@@H](c2ccc(C(=O)[O-])cc2)S1	ZINC000071288028	570889352	/nfs/dbraw/zinc/88/93/52/570889352.db2.gz	VUXUNMUTPQEOLB-QGZVFWFLSA-N	-2	3	385.489	5.068	50	0		GKAAHL
Cc1cc([O-])c(C(C)(C)C)cc1S(=O)(=O)c1cc(C(C)(C)C)c([O-])cc1C	ZINC000002165921	209348838	/nfs/dbraw/zinc/34/88/38/209348838.db2.gz	WXWMNIHSZVPJOL-UHFFFAOYSA-N	-2	3	390.545	5.142	50	0		GKAAHL
COc1cc(/C=C(/CCC(=O)[O-])c2nc3ccccc3s2)cc(Cl)c1[O-]	ZINC000096767658	209242324	/nfs/dbraw/zinc/24/23/24/209242324.db2.gz	RGQQBNJGJNGXGH-WQLSENKSSA-N	-2	3	389.860	5.069	50	0		GKAAHL
[O-]c1cccc2ccc(/C=C/c3cc(Cl)cc(Br)c3[O-])nc12	ZINC000005101929	570429172	/nfs/dbraw/zinc/42/91/72/570429172.db2.gz	OKDVLXSBFXKCBA-FNORWQNLSA-N	-2	3	376.637	5.232	50	0		GKAAHL
CC1=Nc2c(c(=O)[n-]n2C2CCCCCC2)[C@H](c2ccc(C(=O)[O-])cc2)S1	ZINC000071288027	570889376	/nfs/dbraw/zinc/88/93/76/570889376.db2.gz	VUXUNMUTPQEOLB-KRWDZBQOSA-N	-2	3	385.489	5.068	50	0		GKAAHL
O=C([O-])c1cc(-c2cc3ccccc3cc2[O-])nc2cc(Br)ccc21	ZINC000003101461	220602513	/nfs/dbraw/zinc/60/25/13/220602513.db2.gz	UWUQFFLODYRIIJ-UHFFFAOYSA-N	-2	3	394.224	5.221	50	0		GKAAHL
COc1cc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)[O-])cc(Cl)c1[O-]	ZINC000096766293	212155625	/nfs/dbraw/zinc/15/56/25/212155625.db2.gz	BVBPRGNUPNRKEN-LCYFTJDESA-N	-2	3	395.842	5.178	50	0		GKAAHL
CC(C)(C)[C@@H]1Cc2c(C(=O)[O-])c3ccccc3nc2/C(=C/c2cccc([O-])c2)C1	ZINC000025286826	207303536	/nfs/dbraw/zinc/30/35/36/207303536.db2.gz	BTBCYABDUXSZMF-YTBHAWNYSA-N	-2	3	387.479	5.788	50	0		GKAAHL