smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1c2cccc3c2c(c2ccccc21)N=N3 ZINC000100706870 183255131 /nfs/dbraw/zinc/25/51/31/183255131.db2.gz KRIUNPBAQZGFQA-UHFFFAOYSA-N 0 1 220.231 4.427 1 5 BIBFMN