smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)COc1ccc(Cl)cc1C=C1C(=O)NC(=O)NC1=O ZINC000409220311 392622079 /nfs/dbraw/zinc/62/20/79/392622079.db2.gz WPMTWBOLDPCORJ-UHFFFAOYSA-N 0 1 323.692 -0.047 40 10 DBCBMN O=C1NC(=O)C(=CNC(=S)NCc2ccccc2)C(=O)N1 ZINC000006574870 181355949 /nfs/dbraw/zinc/35/59/49/181355949.db2.gz DZSACWQKXPIBCX-UHFFFAOYSA-N 0 1 304.331 -0.099 40 10 DBCBMN Cn1c2ccc(NC=C3C(=O)NC(=O)NC3=O)cc2n(C)c1=O ZINC000408532011 236842276 /nfs/dbraw/zinc/84/22/76/236842276.db2.gz LSTHMERMKWTFGE-UHFFFAOYSA-N 0 1 315.289 -0.461 40 10 DBCBMN CN1CCN(NC=C2C(=O)NC(=S)N(C3CC3)C2=O)CC1 ZINC000002383523 977392935 /nfs/dbraw/zinc/39/29/35/977392935.db2.gz DBJQCOIPMYNONL-NTMALXAHSA-N 0 1 309.395 -0.132 40 10 DBCBMN