smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCc1cn2cc(C)ccc2[nH+]1 217861152 344407156 /nfs/dbraw/zinc/40/71/56/344407156.db2.gz URHJISLUCJAXSP-UHFFFAOYSA-N 1 2 174.247 2.595 10 70 AFIELO C[C@@H](C[NH2+]CC(F)(F)F)C(C)(C)C 160923484 571771814 /nfs/dbraw/zinc/77/18/14/571771814.db2.gz RRWOMEVPZOHHMR-ZETCQYMHSA-N 1 2 197.244 2.821 10 70 AFIELO