smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(CC(=O)N1CCc2cc(F)cc(F)c2C1)NCC(=O)N1CCC[C@H]1C#N ZINC000013679194 581093218 /nfs/dbraw/zinc/09/32/18/581093218.db2.gz GPDZKJWJYYKLCJ-INIZCTEOSA-N 0 3 404.461 2.122 1 30 HEEFHN