smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCC[NH+]1CCC(C(F)(F)F)CC1 ZINC000083878935 181380219 /nfs/dbraw/zinc/38/02/19/181380219.db2.gz LXBHHKCLIVEIKK-UHFFFAOYSA-N 2 0 210.243 1.610 30 0 BDACRP [NH3+]CCCC[NH+]1CCC(C(F)(F)F)CC1 ZINC000083878944 181376661 /nfs/dbraw/zinc/37/66/61/181376661.db2.gz NTINNFIQLZRRCH-UHFFFAOYSA-N 2 0 224.270 2.000 30 0 BDACRP