smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1c2ccc(O)c(O)c2CC[N@@H+]1C 85588719 574416678 /nfs/dbraw/zinc/41/66/78/574416678.db2.gz AASFZUCQPYZSBW-SSDOTTSWSA-N 1 1 193.246 1.647 1 10 endogenous,in-man ADCFMO