smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(O)oc2nncc1-2 100935841 168776583 /nfs/dbraw/zinc/77/65/83/168776583.db2.gz ZXZADLHQIFACMU-UHFFFAOYSA-N 0 2 150.137 1.188 1 0 ADAFLN