smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1[O-]	ZINC000408913225	533472690	/nfs/dbraw/zinc/47/26/90/533472690.db2.gz	UFBLVSASSUXKHN-LFYBBSHMSA-N	-2	3	390.754	2.860	40	10		GFCBHL
O=C1[N-]C(=O)C(=Cc2cc(Br)cc(Br)c2[O-])C(=O)N1	ZINC000003038094	570722953	/nfs/dbraw/zinc/72/29/53/570722953.db2.gz	IWFYWHXEKOKSFR-UHFFFAOYSA-N	-2	3	389.987	2.507	40	10		GFCBHL
O=C([O-])[C@@H]1CN[C@H](c2cc(Br)cc(Br)c2[O-])S1	ZINC000408980083	534525951	/nfs/dbraw/zinc/52/59/51/534525951.db2.gz	UNRSHSKAEAKKSO-CBAPKCEASA-N	-2	3	383.061	2.705	40	10		GFCBHL
O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)ccc1[O-]	ZINC000408894851	231125988	/nfs/dbraw/zinc/12/59/88/231125988.db2.gz	JHRCVACHUFSNAA-NTUHNPAUSA-N	-2	3	387.735	2.620	40	10		GFCBHL
O=C([O-])[C@H]1CN[C@@H](c2cc(Br)cc(Br)c2[O-])S1	ZINC000408980085	534539307	/nfs/dbraw/zinc/53/93/07/534539307.db2.gz	UNRSHSKAEAKKSO-VXNVDRBHSA-N	-2	3	383.061	2.705	40	10		GFCBHL
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc([N+](=O)[O-])c([O-])cc1[O-]	ZINC000059106215	534781265	/nfs/dbraw/zinc/78/12/65/534781265.db2.gz	DCMLWRKWUNHZJC-VZUCSPMQSA-N	-3	3	387.279	2.652	40	10		GFCBHL
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc([O-])c(Br)c1	ZINC000006282400	551098870	/nfs/dbraw/zinc/09/88/70/551098870.db2.gz	IUOZDNVNFMBUQU-XYOKQWHBSA-N	-2	3	387.189	2.821	40	10		GFCBHL
O=C([O-])[C@H]1CN[C@H](c2cc(Br)cc(Br)c2[O-])S1	ZINC000408980082	534539045	/nfs/dbraw/zinc/53/90/45/534539045.db2.gz	UNRSHSKAEAKKSO-APPZFPTMSA-N	-2	3	383.061	2.705	40	10		GFCBHL
CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)S1	ZINC000409085503	526697223	/nfs/dbraw/zinc/69/72/23/526697223.db2.gz	SHIMCIDOOWFQNV-ONNFQVAWSA-N	-2	3	389.216	2.563	40	10		GFCBHL
O=C([O-])[C@@H]1CN[C@@H](c2cc(Br)cc(Br)c2[O-])S1	ZINC000408980084	534525790	/nfs/dbraw/zinc/52/57/90/534525790.db2.gz	UNRSHSKAEAKKSO-IONNQARKSA-N	-2	3	383.061	2.705	40	10		GFCBHL
CC1CCN(c2nc3c(c(=O)[n-]2)CCN(Cc2cc(Cl)ccc2[O-])C3)CC1	ZINC000019496947	207124860	/nfs/dbraw/zinc/12/48/60/207124860.db2.gz	GWGXNBSJTWFMMT-UHFFFAOYSA-N	-2	3	388.899	2.924	40	10		GFCBHL