smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCCCCCCCC[N@@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO ZINC000137899614 1178567160 /nfs/dbraw/zinc/56/71/60/1178567160.db2.gz TYTARGBBJQKLAJ-QKPAOTATSA-N 1 0 319.442 0.123 30 0 in-vitro DCACRO