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)CCNC(=O)c1ccc2c3c([nH]n2CC[NH+](C)C)c2ccccc2[nH+]c31 ZINC000027080669 207322962 /nfs/dbraw/zinc/32/29/62/207322962.db2.gz CVOYDUBJKPJOCB-UHFFFAOYSA-N 3 1 392.507 2.524 1 5 GFBFMP