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)c1cccc(O)c1[O-] 29557865 171048635 /nfs/dbraw/zinc/04/86/35/171048635.db2.gz ADEICXSVFWLTKN-UHFFFAOYSA-O 0 3 168.216 1.295 1 10 ADCFHN