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)(N)[NH3+] 34204370 717124133 /nfs/dbraw/zinc/12/41/33/717124133.db2.gz AIIXIYKLUMZNGV-UHFFFAOYSA-N 2 1 76.123 -1.190 10 5 AABEMP