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=C/C(=O)c2cc(C)ccc2[O-])cc(Br)c1[O-]	ZINC000757468923	1099716316	/nfs/dbraw/zinc/71/63/16/1099716316.db2.gz	VTQZEYBBUQQIRW-GQCTYLIASA-N	-2	3	363.207	4.073	20	30		FIEDHL
COc1cc(/C=C\C(=O)c2cc(C)ccc2[O-])cc(Br)c1[O-]	ZINC000757468927	1099718099	/nfs/dbraw/zinc/71/80/99/1099718099.db2.gz	VTQZEYBBUQQIRW-XQRVVYSFSA-N	-2	3	363.207	4.073	20	30		FIEDHL
CC(C)CCN(CCC#N)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-]	ZINC000728901751	1091821169	/nfs/dbraw/zinc/82/11/69/1091821169.db2.gz	VVOYXGRMZJRMHT-UHFFFAOYSA-N	-2	3	366.461	4.091	20	30		FIEDHL
CCC(=NNc1ccc(C(=O)[O-])cc1)c1cc(Br)ccc1[O-]	ZINC000916591725	1121554969	/nfs/dbraw/zinc/55/49/69/1121554969.db2.gz	GHMDRMVEPZTHTO-UHFFFAOYSA-N	-2	3	363.211	4.079	20	30		FIEDHL
O=C1/C(=C/c2ccc([O-])c(F)c2)CSC/C1=C\c1ccc([O-])c(F)c1	ZINC000255641014	1087713345	/nfs/dbraw/zinc/71/33/45/1087713345.db2.gz	VLIQVYWKGQLFIK-ACFHMISVSA-N	-2	3	360.381	4.159	20	30		FIEDHL
CCOc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc(Cl)c1[O-]	ZINC000916259310	1121453446	/nfs/dbraw/zinc/45/34/46/1121453446.db2.gz	DOOXRVGCTPKUBI-UHFFFAOYSA-N	-2	3	369.204	4.242	20	30		FIEDHL