smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(OC)[SiH2]CCCNCC[NH3+] ZINC000201365153 343894243 /nfs/dbraw/zinc/89/42/43/343894243.db2.gz XFFPIAQRIDTSIZ-UHFFFAOYSA-N 1 3 206.362 -0.912 10 70 BBIEHO