smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(OC)c(S(=O)(=O)[N-]/N=C/c2ccc(OC(=O)c3ccco3)cc2)c1	ZINC000020247659	557003111	/nfs/dbraw/zinc/00/31/11/557003111.db2.gz	PYOIHDCMFKOCHJ-FYJGNVAPSA-N	-1	3	430.438	2.828	10	30		IFEEHM
COc1ccc(C([O-])=C2[C@@H](c3ccc(C#N)cc3)NC(=S)N[C@]2(O)C(F)(F)F)cc1	ZINC000035023270	523776845	/nfs/dbraw/zinc/77/68/45/523776845.db2.gz	VABPXYAAUKEZDI-FRQCXROJSA-N	-1	3	435.427	2.836	10	30		IFEEHM
Cc1cc(COc2ccc(C(=O)N[C@@H]3CCOC[C@@H]3C(=O)N[O-])cc2)c2ccccc2n1	ZINC000003817204	562938626	/nfs/dbraw/zinc/93/86/26/562938626.db2.gz	RHKVTWOHZUDRRL-RBBKRZOGSA-N	-1	3	435.480	2.763	10	30		IFEEHM
O=S(=O)(c1ccc(/N=C\c2cc(Br)ccc2[O-])cc1)N1CCOCC1	ZINC000012572935	527269375	/nfs/dbraw/zinc/26/93/75/527269375.db2.gz	ARPWKYWWFGLAEH-UNOMPAQXSA-N	-1	3	425.304	2.926	10	30		IFEEHM
C#CCN1CCC(C(=O)N[O-])(S(=O)(=O)c2ccc(Sc3ccccc3)cc2)CC1	ZINC000033965063	563085072	/nfs/dbraw/zinc/08/50/72/563085072.db2.gz	WXNWNNKHEJMQOM-UHFFFAOYSA-N	-1	3	430.551	2.585	10	30		IFEEHM
COc1ccc(C([O-])=C2[C@H](c3ccc(C#N)cc3)NC(=S)N[C@]2(O)C(F)(F)F)cc1	ZINC000035023264	523778844	/nfs/dbraw/zinc/77/88/44/523778844.db2.gz	VABPXYAAUKEZDI-TXPKVOOTSA-N	-1	3	435.427	2.836	10	30		IFEEHM