smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(/C=C2\NC(=S)[N-]C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	ZINC000002308777	204033447	/nfs/dbraw/zinc/03/34/47/204033447.db2.gz	JWYDSNMKBRZEJJ-NSIKDUERSA-N	-1	1	366.273	3.746	10	10		FHCEMM
Cc1ccc(C(=O)Oc2ccc(C=C3SC(=S)[N-]C3=O)cc2)cc1	ZINC000008372271	204328550	/nfs/dbraw/zinc/32/85/50/204328550.db2.gz	YKKDTEIQEZBSGH-XNTDXEJSSA-N	-1	1	355.440	3.703	10	10		FHCEMM
Cc1c(Br)c(O)c([O-])c(Br)c1Br	ZINC000006068705	210179010	/nfs/dbraw/zinc/17/90/10/210179010.db2.gz	KMNDTYWRUVCTHV-UHFFFAOYSA-N	-1	1	360.827	3.694	10	10		FHCEMM
CC1=NN(c2ccccc2)C(=S)C1C=Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000100433121	222243989	/nfs/dbraw/zinc/24/39/89/222243989.db2.gz	BNQLKYDIKIDOTN-GXDHUFHOSA-N	-1	1	354.391	3.820	10	10		FHCEMM
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCc1ccccc1	ZINC000016196238	220180139	/nfs/dbraw/zinc/18/01/39/220180139.db2.gz	NDNAEMFCURBEDJ-ATVHPVEESA-N	-1	1	371.483	3.806	10	10		FHCEMM
O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1ccc(-c2ccccc2)cc1	ZINC000021024293	220349290	/nfs/dbraw/zinc/34/92/90/220349290.db2.gz	PRGRZEBMSASJAQ-UHFFFAOYSA-N	-1	1	355.397	3.834	10	10		FHCEMM
CC1=NN(c2ccccc2)C(=S)C1C=Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000100433116	222243666	/nfs/dbraw/zinc/24/36/66/222243666.db2.gz	MCLFFRRUMQGNPP-GXDHUFHOSA-N	-1	1	354.391	3.820	10	10		FHCEMM