smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=NN(C)C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(NC)=[NH+]N(C)C)cc3)cc2)cc1 ZINC000017822205 553599919 /nfs/dbraw/zinc/59/99/19/553599919.db2.gz MHSAZKXSFSEZAX-UHFFFAOYSA-N 1 3 514.634 3.076 40 30 KGEBHO