smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+]C[C@H]1CC[C@H]2C[C@@]34[C@@H](C[C@@]35CCC[C@H]5[C@H]2N1)[C@@]1(O)CCC[C@](C)(C1)C[C@H]4O ZINC000085547418 291235768 /nfs/dbraw/zinc/23/57/68/291235768.db2.gz RCASWXADBKICPD-ZSQYDUFNSA-N 1 3 402.623 3.215 1 0 biogenic,in-vitro HGAFHO