smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc2c3c1cccc3[C@H]1C[C@@H](C(=O)NCCC[NH+](C)C)C[N@@H+](C)[C@@H]1C2 ZINC000095581336 209082186 /nfs/dbraw/zinc/08/21/86/209082186.db2.gz ZURHOOYLDKXCGA-YVWKXTFCSA-N 2 1 368.525 2.206 1 10 FECFMP