smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1C ZINC000218403286 241319661 /nfs/dbraw/zinc/31/96/61/241319661.db2.gz WVYCKKJIAFPJEJ-AWEZNQCLSA-N -1 3 346.452 3.166 40 70 EGIBHM CC(C)Oc1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000218400954 535050415 /nfs/dbraw/zinc/05/04/15/535050415.db2.gz FEBHGEGJSXUCEM-UHFFFAOYSA-N -1 3 348.424 3.098 40 70 EGIBHM Cc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1C ZINC000218403209 241319650 /nfs/dbraw/zinc/31/96/50/241319650.db2.gz WVYCKKJIAFPJEJ-CQSZACIVSA-N -1 3 346.452 3.166 40 70 EGIBHM