smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C/C(=C/c1ccc(F)c(F)c1)c1nc2ccccc2s1 ZINC000036739931 201388873 /nfs/dbraw/zinc/38/88/73/201388873.db2.gz IBMOSFNSPJJIDF-XFFZJAGNSA-N -1 2 331.343 4.590 50 0 EJAALM