smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)C[C@H](CC(=O)[O-])OC(=O)c1cc(=O)[n-]c(=O)[nH]1 ZINC000055161909 379699439 /nfs/dbraw/zinc/69/94/39/379699439.db2.gz VOTPLFCPIRIALF-ZETCQYMHSA-O -1 3 300.291 -0.818 40 5 DBBBHM C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)c1cc(=O)[n-]c(=O)[nH]1 ZINC000045201922 379699265 /nfs/dbraw/zinc/69/92/65/379699265.db2.gz VOTPLFCPIRIALF-SSDOTTSWSA-O -1 3 300.291 -0.818 40 5 DBBBHM