smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCNc1nnc(NCC[NH+](C)C)c2cc3ccccc3cc21 ZINC000001608070 210362437 /nfs/dbraw/zinc/36/24/37/210362437.db2.gz CAGGDZNDTTUHOE-UHFFFAOYSA-N 1 3 352.486 2.730 40 5 FFBBHO