smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCC[N@H+]1CCC[NH2+]CC1 59088116 343342149 /nfs/dbraw/zinc/34/21/49/343342149.db2.gz HGOXOBRAZUAPLN-UHFFFAOYSA-N 2 1 198.354 2.252 40 30 AEEBMP CCCCCCCC[NH2+]CC[NH2+]C 100167960 171144336 /nfs/dbraw/zinc/14/43/36/171144336.db2.gz NBWMKNMQIZNANK-UHFFFAOYSA-N 2 1 186.343 2.156 40 30 AEEBMP