smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@H+]1CCc2ccc(C#Cc3ccc4c(Cl)c(C[NH3+])sc4c3)cc2C1 ZINC000072109296 212056470 /nfs/dbraw/zinc/05/64/70/212056470.db2.gz UVIFBPNHMHJDLC-UHFFFAOYSA-N 2 1 394.971 5.180 1 30 GKEFMP