smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000008214521 943364510 /nfs/dbraw/zinc/36/45/10/943364510.db2.gz PXKHGMGELZGJQE-ILBGXUMGSA-N 0 0 561.547 6.941 50 50 in-man KKGARN