smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1O[C@@H]2[C@H](O)CO[C@]2(O)[C@]1(O)Cc1cc(O)c([O-])c(Br)c1Br ZINC000013761333 562989926 /nfs/dbraw/zinc/98/99/26/562989926.db2.gz KYQGDJSJCJZIAX-VEKGRWIFSA-N -1 1 456.039 -0.099 1 10 JBCFMM O=C1O[C@@H]2[C@H](O)CO[C@@]2(O)[C@]1(O)Cc1cc(O)c([O-])c(Br)c1Br ZINC000013761334 562989877 /nfs/dbraw/zinc/98/98/77/562989877.db2.gz KYQGDJSJCJZIAX-GDQJLZBOSA-N -1 1 456.039 -0.099 1 10 JBCFMM