smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1cc2c(O)c(O)ccc2o1 199136 166322918 /nfs/dbraw/zinc/32/29/18/166322918.db2.gz WYJZNQIVRNPORS-UHFFFAOYSA-N 0 0 192.170 2.047 3 10 AECFRN CC(=O)c1ccccc1N=NN(C)C 18009951 166330006 /nfs/dbraw/zinc/33/00/06/166330006.db2.gz TYWYLUQAJYDVJZ-VAWYXSNFSA-N 0 0 191.234 2.450 1 10 AECFRN