smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nnc(=O)[nH]c1NN=Cc1cc(Br)c([O-])c(Br)c1[O-]	ZINC000003947136	557503520	/nfs/dbraw/zinc/50/35/20/557503520.db2.gz	CDXIMZOIOPWQEF-LZWSPWQCSA-N	-2	3	419.033	1.856	40	30		HDEBHL
Cc1nnc(N=NCc2cc(Br)c([O-])c(Br)c2[O-])n1N	ZINC000408720572	571310148	/nfs/dbraw/zinc/31/01/48/571310148.db2.gz	VDMQMOMQHDZLHQ-LZWSPWQCSA-N	-2	3	406.038	1.683	40	30		HDEBHL
Cc1nnc(NN=Cc2cc(Br)c([O-])c(Br)c2[O-])n1N	ZINC000408720572	571310147	/nfs/dbraw/zinc/31/01/47/571310147.db2.gz	VDMQMOMQHDZLHQ-LZWSPWQCSA-N	-2	3	406.038	1.683	40	30		HDEBHL
C=CC/N=C(/SCC(=O)[O-])N1CCN(/C(=N\CC=C)SCC(=O)[O-])CC1	ZINC000005725741	568453905	/nfs/dbraw/zinc/45/39/05/568453905.db2.gz	DWUJQQUZVUVTGH-YTEMWHBBSA-N	-2	3	400.526	1.324	40	30		HDEBHL
C=CCN1C(=O)/C(=C/c2ccc([O-])c(I)c2)C(=O)[N-]C1=S	ZINC000408902865	560652348	/nfs/dbraw/zinc/65/23/48/560652348.db2.gz	MMZAKAKVMCFBSS-RMKNXTFCSA-N	-2	3	414.224	1.810	40	30		HDEBHL