smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 ZINC000036028889 213057225 /nfs/dbraw/zinc/05/72/25/213057225.db2.gz IVWNHJKZDBXOMY-MKBNYLNASA-N 0 1 342.782 4.780 2 10 EJCFMN CCCC[N@@H+]1CCc2c(Cl)c([O-])c(O)cc2[C@H](c2ccccc2)C1 ZINC000027109964 202152915 /nfs/dbraw/zinc/15/29/15/202152915.db2.gz PKHZFDMRXUUJJW-KRWDZBQOSA-N 0 1 345.870 4.541 1 10 EJCFMN CCCC[N@H+]1CCc2c(Cl)c([O-])c(O)cc2[C@H](c2ccccc2)C1 ZINC000027109964 202152917 /nfs/dbraw/zinc/15/29/17/202152917.db2.gz PKHZFDMRXUUJJW-KRWDZBQOSA-N 0 1 345.870 4.541 1 10 EJCFMN O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 ZINC000019831023 202022682 /nfs/dbraw/zinc/02/26/82/202022682.db2.gz IVWNHJKZDBXOMY-MQIPJXDCSA-N 0 1 342.782 4.780 2 10 EJCFMN O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 ZINC000036028887 202312038 /nfs/dbraw/zinc/31/20/38/202312038.db2.gz IVWNHJKZDBXOMY-OZVIIMIRSA-N 0 1 342.782 4.780 2 10 EJCFMN O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000019831025 212073218 /nfs/dbraw/zinc/07/32/18/212073218.db2.gz IVWNHJKZDBXOMY-HWWQOWPSSA-N 0 1 342.782 4.780 2 10 EJCFMN