smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC(F)c1nnc(SCc2ccc3ccccc3c2)[n-]1 ZINC000216926772 570306897 /nfs/dbraw/zinc/30/68/97/570306897.db2.gz DTJRUXVSVYQRCJ-UHFFFAOYSA-N -1 3 291.326 4.188 40 70 CIIBHM FC(F)c1n[n-]c(SCc2ccc3ccccc3c2)n1 ZINC000216926772 570306899 /nfs/dbraw/zinc/30/68/99/570306899.db2.gz DTJRUXVSVYQRCJ-UHFFFAOYSA-N -1 3 291.326 4.188 40 70 CIIBHM FC(F)c1nc(SCc2ccc3ccccc3c2)n[n-]1 ZINC000216926772 570306904 /nfs/dbraw/zinc/30/69/04/570306904.db2.gz DTJRUXVSVYQRCJ-UHFFFAOYSA-N -1 3 291.326 4.188 40 70 CIIBHM