smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(-c2ccc[nH]2)[nH]c(=O)c1F 160441103 344166296 /nfs/dbraw/zinc/16/62/96/344166296.db2.gz MDYMOEBWOXYMJM-UHFFFAOYSA-N 0 2 193.181 1.213 10 70 ADIELN