smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(=O)c(-c2[n-][nH]c(=O)c2N=Nc2ccc(Br)cc2)c([O-])c2ccccc21	ZINC000100353773	527022678	/nfs/dbraw/zinc/02/26/78/527022678.db2.gz	PVRFOUYVKAMWAA-UHFFFAOYSA-N	-2	3	440.257	2.309	40	30		IEEBHL
Cn1c(=O)c(-c2[n-][nH]c(=O)c2N=Nc2cccc(Br)c2)c([O-])c2ccccc21	ZINC000100353779	557258694	/nfs/dbraw/zinc/25/86/94/557258694.db2.gz	GFBTVPDBMJVYIT-UHFFFAOYSA-N	-2	3	440.257	2.309	40	30		IEEBHL
C=CCN1C(=O)/C(=C/c2cc(Cl)cc(I)c2[O-])C(=O)[N-]C1=S	ZINC000408964756	556902213	/nfs/dbraw/zinc/90/22/13/556902213.db2.gz	RYMXKZQOIXRRPK-WEVVVXLNSA-N	-2	3	448.669	2.463	40	30		IEEBHL
COc1cc(/C=N/[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1[O-]	ZINC000408863837	556873148	/nfs/dbraw/zinc/87/31/48/556873148.db2.gz	UWLVJTRIXZOAIO-LZYBPNLTSA-N	-2	3	430.236	2.384	40	30		IEEBHL