smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCCN1CCC(C(F)(F)F)CC1 ZINC000083878944 181376667 /nfs/dbraw/zinc/37/66/67/181376667.db2.gz NTINNFIQLZRRCH-UHFFFAOYSA-N 1 3 224.270 2.000 30 0 BDACHO