smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)cc1	ZINC000010512188	211178793	/nfs/dbraw/zinc/17/87/93/211178793.db2.gz	LEXUJTVOVYVKFH-UHFFFAOYSA-N	-1	1	329.446	4.524	20	0		EJADMM
CC(C)c1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1	ZINC000048544748	213944748	/nfs/dbraw/zinc/94/47/48/213944748.db2.gz	RTRNNKFVHSKBPY-UHFFFAOYSA-N	-1	1	334.213	4.530	20	0		EJADMM
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1[O-]	ZINC000040865489	213394423	/nfs/dbraw/zinc/39/44/23/213394423.db2.gz	LIPWVXLUWLNIBY-UHFFFAOYSA-N	-1	1	349.230	4.682	20	0		EJADMM
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1[O-]	ZINC000001704436	209783178	/nfs/dbraw/zinc/78/31/78/209783178.db2.gz	OKSXGOLSKDABPC-UHFFFAOYSA-N	-1	1	331.586	4.996	20	0		EJADMM
O=C(CC(c1ccccc1)c1ccccc1)Nc1c([O-])cccc1F	ZINC000078807022	217125606	/nfs/dbraw/zinc/12/56/06/217125606.db2.gz	OMCRXLFJCJYHOP-UHFFFAOYSA-N	-1	1	335.378	4.692	20	0		EJADMM
O=C(Nc1ccc(Br)cc1)c1ccc2ccccc2c1[O-]	ZINC000006584079	206516571	/nfs/dbraw/zinc/51/65/71/206516571.db2.gz	TZIJMBREHHQPDB-UHFFFAOYSA-N	-1	1	342.192	4.560	20	0		EJADMM
O=C([O-])c1ccc(CNCc2ccc(-c3ccccc3Cl)o2)cc1	ZINC000020876059	212182372	/nfs/dbraw/zinc/18/23/72/212182372.db2.gz	GCGBFMMMHHIPOE-UHFFFAOYSA-N	-1	1	341.794	4.588	20	0		EJADMM