smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4ccc(N5CC[C@H]([NH+](C)C)C5)nc4)c3c2)cc(Cl)c1O ZINC000217916402 562877748 /nfs/dbraw/zinc/87/77/48/562877748.db2.gz ADXBIXRBXINJHI-QFIPXVFZSA-N 2 2 558.082 6.141 1 70 KKIFLP O=S(=O)(Oc1ccc2oc(-c3ccccc3)cc2c1C[NH+]1CCC([NH+]2CCCCC2)CC1)C(F)(F)F ZINC000169349611 562862650 /nfs/dbraw/zinc/86/26/50/562862650.db2.gz HOPZOUXJGNCYTP-UHFFFAOYSA-N 2 2 522.589 5.779 1 70 KKIFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4ccc(N5CC[C@@H]([NH+](C)C)C5)nc4)c3c2)cc(Cl)c1O ZINC000217916314 562877756 /nfs/dbraw/zinc/87/77/56/562877756.db2.gz ADXBIXRBXINJHI-JOCHJYFZSA-N 2 2 558.082 6.141 1 70 KKIFLP