smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc2c(c1)[nH+]c1c3ccccc3nc(CC[NH+]3CCOCC3)n21 ZINC000031848099 202211218 /nfs/dbraw/zinc/21/12/18/202211218.db2.gz BGIKIKHAMSSRFR-UHFFFAOYSA-N 2 2 332.407 2.910 1 5 EFBFLP [NH2+]=C(NN1CCOCC1)c1ccc2ccc3[nH+]c4ccccc4n3c2c1 ZINC000028869200 212641477 /nfs/dbraw/zinc/64/14/77/212641477.db2.gz LPEXMEVVHOKERM-UHFFFAOYSA-N 2 2 345.406 2.803 1 5 EFBFLP