smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1cnc(N2CCn3c(CN4CCOCC4)nnc3C2)c(S(=O)(=O)F)c1 ZINC001164683575 719591114 /nfs/dbraw/zinc/59/11/14/719591114.db2.gz GTJYRURNODETFU-UHFFFAOYSA-N 0 0 440.457 -0.030 20 70 IBIDRN