smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)cc1	ZINC000020248887	557003452	/nfs/dbraw/zinc/00/34/52/557003452.db2.gz	UDVQTQWYQCNGTG-PDGQHHTCSA-N	-2	0	432.388	4.160	10	10		IICERL
O=C([O-])c1ccc(-c2ccc(C=C3SC(Nc4cccc(C(=O)[O-])c4)=NC3=O)o2)cc1	ZINC000002997671	562931546	/nfs/dbraw/zinc/93/15/46/562931546.db2.gz	XVWCAOUMDSZQPB-WQRHYEAKSA-N	-2	0	434.429	4.425	10	10		IICERL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000020344745	557008782	/nfs/dbraw/zinc/00/87/82/557008782.db2.gz	DHDSBNKKVGECOV-NDENLUEZSA-N	-2	0	447.422	4.438	10	10		IICERL
Cc1ccc(NN=C2C(=O)c3ccc(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])c(C)c1	ZINC000103594920	557316736	/nfs/dbraw/zinc/31/67/36/557316736.db2.gz	BLAGSUZRRUZRMM-FMQUCBEESA-N	-2	0	436.467	4.071	10	10		IICERL
COC(=O)c1c([O-])c(/N=N/c2ccc(Cl)cc2[N+](=O)[O-])c([O-])n(-c2ccccc2)c1=O	ZINC000035998228	521776096	/nfs/dbraw/zinc/77/60/96/521776096.db2.gz	DCRLOKANFFMHBN-QURGRASLSA-N	-2	0	444.787	4.012	10	10		IICERL