smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cn1C	ZINC000774620078	668162708	/nfs/dbraw/zinc/16/27/08/668162708.db2.gz	HOZICMSSVAQDCA-UHFFFAOYSA-N	-2	1	367.383	0.932	10	10		FCCEML
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cn1C	ZINC000324079723	666631285	/nfs/dbraw/zinc/63/12/85/666631285.db2.gz	ZLDBJFPFDRJGGR-UHFFFAOYSA-N	-2	1	353.356	0.589	10	10		FCCEML
CCCNC(=O)CN(CC(=O)[O-])Cc1cc(C(=O)OC)cc(O)c1[O-]	ZINC000071973653	221390866	/nfs/dbraw/zinc/39/08/66/221390866.db2.gz	GJBZRQOVVMGVMK-UHFFFAOYSA-N	-2	1	354.359	0.297	10	10		FCCEML
CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cn1C	ZINC000776434969	668261393	/nfs/dbraw/zinc/26/13/93/668261393.db2.gz	UEYHPIOTMBJTEE-UHFFFAOYSA-N	-2	1	367.383	0.932	10	10		FCCEML