smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000040914891 136120607 /nfs/dbraw/zinc/12/06/07/136120607.db2.gz LIFQCANQFXGCDS-IRXDYDNUSA-N 2 0 370.457 0.352 1 30 FCEFRP