smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCCn1c(=O)c2ccc3c(=O)n(CCC[NH+](C)C)c(=O)c4ccc(c1=O)c2c34 ZINC000029216444 563076723 /nfs/dbraw/zinc/07/67/23/563076723.db2.gz JFCQULJQIZSKEP-UHFFFAOYSA-N 2 0 436.512 0.969 50 5 ICBARP