smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N3CC[NH2+]CC3)cc1CNCC2=O)N1CC[NH2+]CC1 ZINC000958317613 1070724135 /nfs/dbraw/zinc/72/41/35/1070724135.db2.gz KXHTZIMCDWVMCL-VXKWHMMOSA-N 2 0 496.656 0.421 40 10 JCCBRP