smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)oc1C ZINC000161027663 564091351 /nfs/dbraw/zinc/09/13/51/564091351.db2.gz IXEPLILFPMCBGO-HUUCEWRRSA-N 1 2 340.345 3.618 20 70 EHIDLO Cc1nc(C[N@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)oc1C ZINC000161027663 564091352 /nfs/dbraw/zinc/09/13/52/564091352.db2.gz IXEPLILFPMCBGO-HUUCEWRRSA-N 1 2 340.345 3.618 20 70 EHIDLO Cc1nc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)oc1C ZINC000161027796 564091372 /nfs/dbraw/zinc/09/13/72/564091372.db2.gz IXEPLILFPMCBGO-LSDHHAIUSA-N 1 2 340.345 3.618 20 70 EHIDLO Cc1nc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)oc1C ZINC000161027796 564091373 /nfs/dbraw/zinc/09/13/73/564091373.db2.gz IXEPLILFPMCBGO-LSDHHAIUSA-N 1 2 340.345 3.618 20 70 EHIDLO