smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(CCl)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 ZINC000077285758 717134815 /nfs/dbraw/zinc/13/48/15/717134815.db2.gz JACPAVNODLLQLA-NRFANRHFSA-N 1 0 373.879 4.524 10 50 in-vitro FJGERO