smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCn1c(=O)c2nc(C3CCCC3)[nH]c2n(CCCOC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O ZINC000008034243 561704197 /nfs/dbraw/zinc/70/41/97/561704197.db2.gz XJLGXHIRSHTRPQ-UHFFFAOYSA-N 0 0 506.556 2.859 10 70 KFIERN