smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2ccccc2[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@@H]12 ZINC001164401804 718849936 /nfs/dbraw/zinc/84/99/36/718849936.db2.gz CZFKUYKPBKTGOE-VQTJNVASSA-N 0 0 455.848 5.271 20 5 JKBDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3ccc4cccnc4c3n1)CC2 ZINC001164664558 719347858 /nfs/dbraw/zinc/34/78/58/719347858.db2.gz YKZADSGPYFVZNM-UHFFFAOYSA-N 0 0 474.612 5.478 20 5 JKBDRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)O2)n1 ZINC001164831624 720412522 /nfs/dbraw/zinc/41/25/22/720412522.db2.gz WUYCAJQDNPZQRJ-QRVBRYPASA-N 0 0 491.882 5.046 20 5 JKBDRN O=C1CC[C@@H]2[C@H](CCN2C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)N1c1ccccc1 ZINC001164845078 720769124 /nfs/dbraw/zinc/76/91/24/720769124.db2.gz DHLQPHXLJRBGFH-RTWAWAEBSA-N 0 0 499.905 5.024 20 5 JKBDRN O=C1CC[C@H]2[C@@H](CCN2C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)N1c1ccccc1 ZINC001164851322 720769540 /nfs/dbraw/zinc/76/95/40/720769540.db2.gz ZEXVYOCCIPSTSO-LEWJYISDSA-N 0 0 499.905 5.024 20 5 JKBDRN O=C1CC[C@@H]2[C@@H](CCN2C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)N1c1ccccc1 ZINC001164845077 720769611 /nfs/dbraw/zinc/76/96/11/720769611.db2.gz DHLQPHXLJRBGFH-NHCUHLMSSA-N 0 0 499.905 5.024 20 5 JKBDRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)N1c1ccsc1 ZINC001164883635 721360629 /nfs/dbraw/zinc/36/06/29/721360629.db2.gz QUWCJGNNXJLHPU-OALUTQOASA-N 0 0 490.919 5.301 20 5 JKBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4CCC[C@@H](OCC5CC5)[C@@H]4C3)c(Cl)nn2)c1 ZINC001164900493 721499843 /nfs/dbraw/zinc/49/98/43/721499843.db2.gz QEXZLMUYMKPXIB-YRISNDGFSA-N 0 0 478.927 5.282 20 5 JKBDRN O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2C[C@@H]3CCC[C@H](OCC4CC4)[C@H]3C2)c(Cl)nn1 ZINC001164895689 721499889 /nfs/dbraw/zinc/49/98/89/721499889.db2.gz DXZIMCFHBAGSHH-WJPUGNRLSA-N 0 0 478.927 5.282 20 5 JKBDRN CC(C)C(=O)N1CCC[C@@]12CCN(C(F)(F)c1cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c1)C2 ZINC001165007652 721728276 /nfs/dbraw/zinc/72/82/76/721728276.db2.gz GDSUDIHOAYPRPG-QFIPXVFZSA-N 0 0 478.927 5.082 20 5 JKBDRN O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)o2)cc1 ZINC000020530232 555796966 /nfs/dbraw/zinc/79/69/66/555796966.db2.gz KXAMDTQRHJPZFQ-UHFFFAOYSA-N 0 0 456.483 6.259 20 5 JKBDRN O=C1c2ccccc2[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@@H]12 ZINC001164401806 718849914 /nfs/dbraw/zinc/84/99/14/718849914.db2.gz CZFKUYKPBKTGOE-WOJBJXKFSA-N 0 0 455.848 5.271 20 5 JKBDRN O=C1Nc2ccccc2[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@H]12 ZINC001164400962 718859833 /nfs/dbraw/zinc/85/98/33/718859833.db2.gz BSVXIJXZFWWTKL-MOPGFXCFSA-N 0 0 470.863 5.027 20 5 JKBDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164663497 719347616 /nfs/dbraw/zinc/34/76/16/719347616.db2.gz ILEJSLZKVPEDPO-UHFFFAOYSA-N 0 0 482.588 5.146 20 5 JKBDRN Fc1ccc(CN2CCOCC23CCN(c2ccc4ccc5ccc(Cl)nc5c4n2)CC3)cc1 ZINC001164670296 719510789 /nfs/dbraw/zinc/51/07/89/719510789.db2.gz CQOSVNYAFMGFLG-UHFFFAOYSA-N 0 0 476.983 5.447 20 5 JKBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@@H](O)[C@H]3Cc3ccccc3)cnc2Cl)c1 ZINC001164833488 720496199 /nfs/dbraw/zinc/49/61/99/720496199.db2.gz PBWYUVMVHGRXAU-NHCUHLMSSA-N 0 0 459.880 5.037 20 5 JKBDRN O=C1CC[C@H]2[C@@H](CCN2C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)N1c1ccccc1 ZINC001164845076 720769161 /nfs/dbraw/zinc/76/91/61/720769161.db2.gz DHLQPHXLJRBGFH-LEWJYISDSA-N 0 0 499.905 5.024 20 5 JKBDRN O=C1CC[C@@H]2[C@H](CCN2C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)N1c1ccccc1 ZINC001164851329 720769261 /nfs/dbraw/zinc/76/92/61/720769261.db2.gz ZEXVYOCCIPSTSO-RTWAWAEBSA-N 0 0 499.905 5.024 20 5 JKBDRN O=C1CC[C@H]2[C@H](CCN2C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)N1c1ccccc1 ZINC001164845079 720769283 /nfs/dbraw/zinc/76/92/83/720769283.db2.gz DHLQPHXLJRBGFH-SFTDATJTSA-N 0 0 499.905 5.024 20 5 JKBDRN O=C1CCC2(CCN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)CC2)N1CC1CC1 ZINC001164775293 721307562 /nfs/dbraw/zinc/30/75/62/721307562.db2.gz CEFALSONMOAZRL-UHFFFAOYSA-N 0 0 490.938 5.227 20 5 JKBDRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)N1c1ccsc1 ZINC001164883625 721360698 /nfs/dbraw/zinc/36/06/98/721360698.db2.gz QUWCJGNNXJLHPU-MOPGFXCFSA-N 0 0 490.919 5.301 20 5 JKBDRN CC(C)C(=O)N1CCC[C@]12CCN(C(F)(F)c1cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c1)C2 ZINC001165007649 721728209 /nfs/dbraw/zinc/72/82/09/721728209.db2.gz GDSUDIHOAYPRPG-JOCHJYFZSA-N 0 0 478.927 5.082 20 5 JKBDRN O=[N+]([O-])c1cc(C(F)(F)N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)cnc1Cl ZINC001165049120 721979385 /nfs/dbraw/zinc/97/93/85/721979385.db2.gz GXNJDIYXHNXMPZ-UHFFFAOYSA-N 0 0 467.778 5.135 20 5 JKBDRN Cc1nc(CN2CCO[C@H]3CCN(c4ccc5ccc6ccc(Cl)nc6c5n4)CC[C@H]32)cs1 ZINC001164993561 722182433 /nfs/dbraw/zinc/18/24/33/722182433.db2.gz WMKKXWVBTRICJH-RTWAWAEBSA-N 0 0 480.037 5.071 20 5 JKBDRN Cc1nc(CN2CCO[C@H]3CCN(c4ccc5ccc6ccc(Cl)nc6c5n4)CC[C@@H]32)cs1 ZINC001164993562 722182500 /nfs/dbraw/zinc/18/25/00/722182500.db2.gz WMKKXWVBTRICJH-SFTDATJTSA-N 0 0 480.037 5.071 20 5 JKBDRN O=C1c2ccccc2[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@H]12 ZINC001164401801 718849874 /nfs/dbraw/zinc/84/98/74/718849874.db2.gz CZFKUYKPBKTGOE-UXHICEINSA-N 0 0 455.848 5.271 20 5 JKBDRN O=C1Nc2ccccc2[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@H]12 ZINC001164400963 718859727 /nfs/dbraw/zinc/85/97/27/718859727.db2.gz BSVXIJXZFWWTKL-OALUTQOASA-N 0 0 470.863 5.027 20 5 JKBDRN O=C1N(CC2CC2)CC[C@]12CCCN(C(F)(F)c1cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c1)C2 ZINC001164818820 720284199 /nfs/dbraw/zinc/28/41/99/720284199.db2.gz NGQDTXBNGIASSZ-QHCPKHFHSA-N 0 0 490.938 5.084 20 5 JKBDRN O=C1CC[C@@H]2[C@H](CCN2C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)N1c1ccccc1 ZINC001164844754 720768366 /nfs/dbraw/zinc/76/83/66/720768366.db2.gz CTMRLQUHNGEMPQ-RTWAWAEBSA-N 0 0 499.905 5.024 20 5 JKBDRN O=C1CC[C@H]2[C@H](CCN2C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)N1c1ccccc1 ZINC001164851333 720769116 /nfs/dbraw/zinc/76/91/16/720769116.db2.gz ZEXVYOCCIPSTSO-SFTDATJTSA-N 0 0 499.905 5.024 20 5 JKBDRN O=C1CC[C@H]2[C@H](CCN2C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)N1c1ccccc1 ZINC001164844756 720769151 /nfs/dbraw/zinc/76/91/51/720769151.db2.gz CTMRLQUHNGEMPQ-SFTDATJTSA-N 0 0 499.905 5.024 20 5 JKBDRN Cc1nc([C@@H]2COCCN2C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)cs1 ZINC001164748202 720865658 /nfs/dbraw/zinc/86/56/58/720865658.db2.gz LDUHKGCVSWMZKF-SFHVURJKSA-N 0 0 466.897 5.198 20 5 JKBDRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)N1c1ccsc1 ZINC001164883642 721360618 /nfs/dbraw/zinc/36/06/18/721360618.db2.gz QUWCJGNNXJLHPU-RTBURBONSA-N 0 0 490.919 5.301 20 5 JKBDRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)N1c1ccsc1 ZINC001164883637 721360923 /nfs/dbraw/zinc/36/09/23/721360923.db2.gz QUWCJGNNXJLHPU-RBUKOAKNSA-N 0 0 490.919 5.301 20 5 JKBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCc4ncnc(C5CC5)c4CC3)cnc2Cl)c1 ZINC001164916503 721804284 /nfs/dbraw/zinc/80/42/84/721804284.db2.gz PNOAKOJTBSYLAO-UHFFFAOYSA-N 0 0 471.895 5.128 20 5 JKBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N(Cc3cccnc3)Cc3ccccn3)cnc2Cl)c1 ZINC001165039034 721881933 /nfs/dbraw/zinc/88/19/33/721881933.db2.gz WLTHFCYTUUQMPU-UHFFFAOYSA-N 0 0 481.890 5.852 20 5 JKBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc5ccc6ccc(Cl)nc6c5n4)CC[C@@H]32)cs1 ZINC001164993559 722182439 /nfs/dbraw/zinc/18/24/39/722182439.db2.gz WMKKXWVBTRICJH-LEWJYISDSA-N 0 0 480.037 5.071 20 5 JKBDRN Cc1cc(CSc2ccccc2C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])on1 ZINC000032899536 556527435 /nfs/dbraw/zinc/52/74/35/556527435.db2.gz BPHPWPNHNGXNPR-UHFFFAOYSA-N 0 0 480.468 5.044 20 5 JKBDRN O=C1Nc2ccccc2[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@@H]12 ZINC001164400965 718859843 /nfs/dbraw/zinc/85/98/43/718859843.db2.gz BSVXIJXZFWWTKL-RTBURBONSA-N 0 0 470.863 5.027 20 5 JKBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)cnc2Cl)c1 ZINC001164727508 720486136 /nfs/dbraw/zinc/48/61/36/720486136.db2.gz NFXWCMIDYSFKNZ-FCHUYYIVSA-N 0 0 485.922 5.103 20 5 JKBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)cnc2Cl)c1 ZINC001164727510 720486979 /nfs/dbraw/zinc/48/69/79/720486979.db2.gz NFXWCMIDYSFKNZ-VXKWHMMOSA-N 0 0 485.922 5.103 20 5 JKBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)cnc2Cl)c1 ZINC001164727509 720487248 /nfs/dbraw/zinc/48/72/48/720487248.db2.gz NFXWCMIDYSFKNZ-FGZHOGPDSA-N 0 0 485.922 5.103 20 5 JKBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@H](O)[C@@H]3Cc3ccccc3)cnc2Cl)c1 ZINC001164833490 720495859 /nfs/dbraw/zinc/49/58/59/720495859.db2.gz PBWYUVMVHGRXAU-SFTDATJTSA-N 0 0 459.880 5.037 20 5 JKBDRN O=C1CC[C@@H]2[C@@H](CCN2C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)N1c1ccccc1 ZINC001164851325 720769598 /nfs/dbraw/zinc/76/95/98/720769598.db2.gz ZEXVYOCCIPSTSO-NHCUHLMSSA-N 0 0 499.905 5.024 20 5 JKBDRN Cc1nc([C@H]2COCCN2C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)cs1 ZINC001164748197 720865733 /nfs/dbraw/zinc/86/57/33/720865733.db2.gz LDUHKGCVSWMZKF-GOSISDBHSA-N 0 0 466.897 5.198 20 5 JKBDRN O=C1c2ccccc2[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@H]12 ZINC001164401798 718849939 /nfs/dbraw/zinc/84/99/39/718849939.db2.gz CZFKUYKPBKTGOE-PMACEKPBSA-N 0 0 455.848 5.271 20 5 JKBDRN O=C1N(CC2CC2)CC[C@@]12CCCN(C(F)(F)c1cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c1)C2 ZINC001164818819 720283539 /nfs/dbraw/zinc/28/35/39/720283539.db2.gz NGQDTXBNGIASSZ-HSZRJFAPSA-N 0 0 490.938 5.084 20 5 JKBDRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)O2)n1 ZINC001164831627 720412255 /nfs/dbraw/zinc/41/22/55/720412255.db2.gz WUYCAJQDNPZQRJ-QYZOEREBSA-N 0 0 491.882 5.046 20 5 JKBDRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)O2)n1 ZINC001164831606 720412336 /nfs/dbraw/zinc/41/23/36/720412336.db2.gz WUYCAJQDNPZQRJ-FHWLQOOXSA-N 0 0 491.882 5.046 20 5 JKBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@H](O)[C@H]3Cc3ccccc3)cnc2Cl)c1 ZINC001164833489 720495914 /nfs/dbraw/zinc/49/59/14/720495914.db2.gz PBWYUVMVHGRXAU-RTWAWAEBSA-N 0 0 459.880 5.037 20 5 JKBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@@H](O)[C@@H]3Cc3ccccc3)cnc2Cl)c1 ZINC001164833487 720496038 /nfs/dbraw/zinc/49/60/38/720496038.db2.gz PBWYUVMVHGRXAU-LEWJYISDSA-N 0 0 459.880 5.037 20 5 JKBDRN O=C1CC[C@@H]2[C@@H](CCN2C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)N1c1ccccc1 ZINC001164844752 720768813 /nfs/dbraw/zinc/76/88/13/720768813.db2.gz CTMRLQUHNGEMPQ-NHCUHLMSSA-N 0 0 499.905 5.024 20 5 JKBDRN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3C[C@@H]4CCC[C@@H](OCC5CC5)[C@H]4C3)c(Cl)nn2)cc1 ZINC001164900557 721499677 /nfs/dbraw/zinc/49/96/77/721499677.db2.gz QFMAEZUPMRQFSP-DJPFJPOOSA-N 0 0 478.927 5.282 20 5 JKBDRN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N(Cc3cccnc3)Cc3ccccn3)c(Cl)nn2)cc1 ZINC001165039129 721881885 /nfs/dbraw/zinc/88/18/85/721881885.db2.gz XKVFYAYUHJHTNU-UHFFFAOYSA-N 0 0 482.878 5.247 20 5 JKBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N(Cc3cccnc3)Cc3ccccn3)c(Cl)nn2)c1 ZINC001165035113 721881951 /nfs/dbraw/zinc/88/19/51/721881951.db2.gz BNBGTSJTDQIQKD-UHFFFAOYSA-N 0 0 482.878 5.247 20 5 JKBDRN COC(=O)CCN(Cc1ccco1)C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001165048590 721982929 /nfs/dbraw/zinc/98/29/29/721982929.db2.gz ZRYJHOUFGNRDCZ-UHFFFAOYSA-N 0 0 465.840 5.018 20 5 JKBDRN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CCC4(CC(OCC5CC5)C4)CC3)c(Cl)nn2)cc1 ZINC001164985445 722173035 /nfs/dbraw/zinc/17/30/35/722173035.db2.gz HTBOGVFPJROLTN-UHFFFAOYSA-N 0 0 478.927 5.426 20 5 JKBDRN O=C1Nc2ccccc2[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@@H]12 ZINC001164400964 718859716 /nfs/dbraw/zinc/85/97/16/718859716.db2.gz BSVXIJXZFWWTKL-RBUKOAKNSA-N 0 0 470.863 5.027 20 5 JKBDRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)O2)n1 ZINC001164831620 720412223 /nfs/dbraw/zinc/41/22/23/720412223.db2.gz WUYCAJQDNPZQRJ-OTWHNJEPSA-N 0 0 491.882 5.046 20 5 JKBDRN O=C1CC[C@H]2[C@@H](CCN2C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)N1c1ccccc1 ZINC001164844750 720768101 /nfs/dbraw/zinc/76/81/01/720768101.db2.gz CTMRLQUHNGEMPQ-LEWJYISDSA-N 0 0 499.905 5.024 20 5 JKBDRN O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2C[C@@H]3CCC[C@@H](OCC4CC4)[C@@H]3C2)c(Cl)nn1 ZINC001164895686 721499785 /nfs/dbraw/zinc/49/97/85/721499785.db2.gz DXZIMCFHBAGSHH-LUQKVYGDSA-N 0 0 478.927 5.282 20 5 JKBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4CCC[C@@H](OCC5CC5)[C@H]4C3)c(Cl)nn2)c1 ZINC001164900490 721499901 /nfs/dbraw/zinc/49/99/01/721499901.db2.gz QEXZLMUYMKPXIB-DJPFJPOOSA-N 0 0 478.927 5.282 20 5 JKBDRN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3C[C@@H]4CCC[C@@H](OCC5CC5)[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164900560 721499920 /nfs/dbraw/zinc/49/99/20/721499920.db2.gz QFMAEZUPMRQFSP-YRISNDGFSA-N 0 0 478.927 5.282 20 5 JKBDRN O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2C[C@@H]3CCC[C@@H](OCC4CC4)[C@H]3C2)c(Cl)nn1 ZINC001164895677 721499977 /nfs/dbraw/zinc/49/99/77/721499977.db2.gz DXZIMCFHBAGSHH-HZUJVAHNSA-N 0 0 478.927 5.282 20 5 JKBDRN O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2C[C@@H]3CCC[C@H](OCC4CC4)[C@@H]3C2)c(Cl)nn1 ZINC001164895693 721499983 /nfs/dbraw/zinc/49/99/83/721499983.db2.gz DXZIMCFHBAGSHH-XPIZARPCSA-N 0 0 478.927 5.282 20 5 JKBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)nc1Cl ZINC001165047867 721979396 /nfs/dbraw/zinc/97/93/96/721979396.db2.gz BBQLFTHDJICMNB-UHFFFAOYSA-N 0 0 467.778 5.135 20 5 JKBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCC4(CC(OCC5CC5)C4)CC3)c(Cl)nn2)c1 ZINC001164984872 722172966 /nfs/dbraw/zinc/17/29/66/722172966.db2.gz GQTJPNUPFHWDKR-UHFFFAOYSA-N 0 0 478.927 5.426 20 5 JKBDRN O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCC3(CC(OCC4CC4)C3)CC2)c(Cl)nn1 ZINC001164986779 722173072 /nfs/dbraw/zinc/17/30/72/722173072.db2.gz LQOVICQZQBUITH-UHFFFAOYSA-N 0 0 478.927 5.426 20 5 JKBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4CCC[C@H](OCC5CC5)[C@@H]4C3)c(Cl)nn2)c1 ZINC001164900488 721499769 /nfs/dbraw/zinc/49/97/69/721499769.db2.gz QEXZLMUYMKPXIB-CDXJDZJCSA-N 0 0 478.927 5.282 20 5 JKBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4CCC[C@H](OCC5CC5)[C@H]4C3)c(Cl)nn2)c1 ZINC001164900491 721499802 /nfs/dbraw/zinc/49/98/02/721499802.db2.gz QEXZLMUYMKPXIB-MDKPJZGXSA-N 0 0 478.927 5.282 20 5 JKBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)cnc2Cl)c1 ZINC001164727511 720486176 /nfs/dbraw/zinc/48/61/76/720486176.db2.gz NFXWCMIDYSFKNZ-YADHBBJMSA-N 0 0 485.922 5.103 20 5 JKBDRN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3C[C@@H]4CCC[C@H](OCC5CC5)[C@H]4C3)c(Cl)nn2)cc1 ZINC001164900559 721499794 /nfs/dbraw/zinc/49/97/94/721499794.db2.gz QFMAEZUPMRQFSP-MDKPJZGXSA-N 0 0 478.927 5.282 20 5 JKBDRN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3C[C@@H]4CCC[C@H](OCC5CC5)[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164900551 721499869 /nfs/dbraw/zinc/49/98/69/721499869.db2.gz QFMAEZUPMRQFSP-CDXJDZJCSA-N 0 0 478.927 5.282 20 5 JKBDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccc3ccc4ccc(Cl)nc4c3n1)C2 ZINC001164908983 721755547 /nfs/dbraw/zinc/75/55/47/721755547.db2.gz BBYUTWYWNYBCQH-UHFFFAOYSA-N 0 0 469.976 5.619 20 5 JKBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc5ccc6ccc(Cl)nc6c5n4)CC[C@H]32)cs1 ZINC001164993560 722182346 /nfs/dbraw/zinc/18/23/46/722182346.db2.gz WMKKXWVBTRICJH-NHCUHLMSSA-N 0 0 480.037 5.071 20 5 JKBDRN