smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc2ccc(N)cn2c1C 20393239 572217728 /nfs/dbraw/zinc/21/77/28/572217728.db2.gz GJFTUFNJLUFAMP-UHFFFAOYSA-N 0 1 161.208 1.533 30 0 ADACMN Nc1cc2nc[nH]c2cc1Cl 45821017 169289491 /nfs/dbraw/zinc/28/94/91/169289491.db2.gz XOGPROGBNPDREL-UHFFFAOYSA-N 0 1 167.599 1.799 30 0 ADACMN CC(C)c1cc(=O)n(C)[nH]1 100542306 343718604 /nfs/dbraw/zinc/71/86/04/343718604.db2.gz GSHHHMBEYCPUCQ-UHFFFAOYSA-N 0 1 140.186 1.249 30 0 ADACMN O=Cc1n[nH]c2cc(F)cc(F)c12 14983973 351377009 /nfs/dbraw/zinc/37/70/09/351377009.db2.gz TVWXGRIXOURZGK-UHFFFAOYSA-N 0 1 182.129 1.654 30 0 ADACMN