smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000015173498 1069480742 /nfs/dbraw/zinc/48/07/42/1069480742.db2.gz PVQVAGNCLMQKMF-UHFFFAOYSA-N 1 1 413.500 -0.043 20 5 HBBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC[NH+](CCO)CC1 ZINC000015209313 1069483241 /nfs/dbraw/zinc/48/32/41/1069483241.db2.gz NPVDEAJGBDQCJP-UHFFFAOYSA-N 1 1 400.457 -0.270 20 5 HBBDMO CN1CCN(S(=O)(=O)c2ccc(N3CC[NH+](CCO)CC3)c([N+](=O)[O-])c2)CC1 ZINC000015209352 1069483233 /nfs/dbraw/zinc/48/32/33/1069483233.db2.gz DODUIJDVGWEEMC-UHFFFAOYSA-N 1 1 413.500 -0.355 20 5 HBBDMO CNC(=O)C[NH+]1CCC(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000025228267 1071078091 /nfs/dbraw/zinc/07/80/91/1071078091.db2.gz UMRHURUSLRZRIN-UHFFFAOYSA-N 1 1 403.395 -0.483 20 5 HBBDMO Cn1c2ncn(CC[NH+]3CCN(c4ccc([N+](=O)[O-])nc4)CC3)c2c(=O)n(C)c1=O ZINC000026489373 1069380998 /nfs/dbraw/zinc/38/09/98/1069380998.db2.gz DCNGSOFOHJGRPJ-UHFFFAOYSA-N 1 1 414.426 -0.441 20 5 HBBDMO O=C(C[NH+]1CCC(O)CC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000026859197 1070458168 /nfs/dbraw/zinc/45/81/68/1070458168.db2.gz WHFOFDINFJEYFW-UHFFFAOYSA-N 1 1 412.468 -0.116 20 5 HBBDMO O=C(C[NH+]1CCC(O)CC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000026859204 1070458106 /nfs/dbraw/zinc/45/81/06/1070458106.db2.gz BWGSCMHBYNUZTI-UHFFFAOYSA-N 1 1 412.468 -0.116 20 5 HBBDMO CC[N@@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000029840279 1071271619 /nfs/dbraw/zinc/27/16/19/1071271619.db2.gz PYTPGYSKODRLKD-UHFFFAOYSA-N 1 1 400.457 -0.258 20 5 HBBDMO CC[N@@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000029840285 1071271891 /nfs/dbraw/zinc/27/18/91/1071271891.db2.gz WWYMAOGLIBWWBR-UHFFFAOYSA-N 1 1 400.457 -0.258 20 5 HBBDMO C[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000409538005 1071932926 /nfs/dbraw/zinc/93/29/26/1071932926.db2.gz XCKZNDPBCYAOMU-UHFFFAOYSA-N 1 1 411.484 -0.325 20 5 HBBDMO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H](O)CN3S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000427783152 1070740303 /nfs/dbraw/zinc/74/03/03/1070740303.db2.gz UJEBVMWQBZKDDR-CTASWTNQSA-N 1 1 424.479 -0.261 20 5 HBBDMO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H](O)CN3S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000427783153 1070740412 /nfs/dbraw/zinc/74/04/12/1070740412.db2.gz UJEBVMWQBZKDDR-FQLMCAECSA-N 1 1 424.479 -0.261 20 5 HBBDMO C[C@H](O)C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000428490815 1068988158 /nfs/dbraw/zinc/98/81/58/1068988158.db2.gz PGQAFBKRLILNFW-ZDUSSCGKSA-N 1 1 400.457 -0.212 20 5 HBBDMO C[C@H](O)C[NH+]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000428493903 1068991913 /nfs/dbraw/zinc/99/19/13/1068991913.db2.gz KADPLUZNFRVCBM-ZDUSSCGKSA-N 1 1 400.457 -0.260 20 5 HBBDMO C[C@H](O)C[NH+]1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000428494780 1068999035 /nfs/dbraw/zinc/99/90/35/1068999035.db2.gz BSGNFYCDHWAJRY-LBPRGKRZSA-N 1 1 415.472 -0.431 20 5 HBBDMO C[C@H](O)C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000428503126 1069090149 /nfs/dbraw/zinc/09/01/49/1069090149.db2.gz MDWFQFCTUJBKLH-ZDUSSCGKSA-N 1 1 400.457 -0.212 20 5 HBBDMO C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000428514146 1069156873 /nfs/dbraw/zinc/15/68/73/1069156873.db2.gz FFHTYPFKGSEWSK-CYBMUJFWSA-N 1 1 400.457 -0.212 20 5 HBBDMO C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000428514146 1069156869 /nfs/dbraw/zinc/15/68/69/1069156869.db2.gz FFHTYPFKGSEWSK-CYBMUJFWSA-N 1 1 400.457 -0.212 20 5 HBBDMO C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000428514149 1069156514 /nfs/dbraw/zinc/15/65/14/1069156514.db2.gz FFHTYPFKGSEWSK-ZDUSSCGKSA-N 1 1 400.457 -0.212 20 5 HBBDMO C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000428514149 1069156508 /nfs/dbraw/zinc/15/65/08/1069156508.db2.gz FFHTYPFKGSEWSK-ZDUSSCGKSA-N 1 1 400.457 -0.212 20 5 HBBDMO C[C@@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000428520265 1069162353 /nfs/dbraw/zinc/16/23/53/1069162353.db2.gz WKKQIPDNTCPCEJ-GFCCVEGCSA-N 1 1 415.472 -0.431 20 5 HBBDMO C[C@@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000428520265 1069162348 /nfs/dbraw/zinc/16/23/48/1069162348.db2.gz WKKQIPDNTCPCEJ-GFCCVEGCSA-N 1 1 415.472 -0.431 20 5 HBBDMO C[C@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000428520268 1069162453 /nfs/dbraw/zinc/16/24/53/1069162453.db2.gz WKKQIPDNTCPCEJ-LBPRGKRZSA-N 1 1 415.472 -0.431 20 5 HBBDMO C[C@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000428520268 1069162449 /nfs/dbraw/zinc/16/24/49/1069162449.db2.gz WKKQIPDNTCPCEJ-LBPRGKRZSA-N 1 1 415.472 -0.431 20 5 HBBDMO C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000428524333 1069164130 /nfs/dbraw/zinc/16/41/30/1069164130.db2.gz UVHAOPATBBOWDZ-CYBMUJFWSA-N 1 1 400.457 -0.212 20 5 HBBDMO C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000428524333 1069164127 /nfs/dbraw/zinc/16/41/27/1069164127.db2.gz UVHAOPATBBOWDZ-CYBMUJFWSA-N 1 1 400.457 -0.212 20 5 HBBDMO C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000428524334 1069164140 /nfs/dbraw/zinc/16/41/40/1069164140.db2.gz UVHAOPATBBOWDZ-ZDUSSCGKSA-N 1 1 400.457 -0.212 20 5 HBBDMO C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000428524334 1069164138 /nfs/dbraw/zinc/16/41/38/1069164138.db2.gz UVHAOPATBBOWDZ-ZDUSSCGKSA-N 1 1 400.457 -0.212 20 5 HBBDMO C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000428550874 1069187541 /nfs/dbraw/zinc/18/75/41/1069187541.db2.gz WGECFRNJNRHPPK-CYBMUJFWSA-N 1 1 400.457 -0.260 20 5 HBBDMO C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000428550874 1069187535 /nfs/dbraw/zinc/18/75/35/1069187535.db2.gz WGECFRNJNRHPPK-CYBMUJFWSA-N 1 1 400.457 -0.260 20 5 HBBDMO C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000428550876 1069187405 /nfs/dbraw/zinc/18/74/05/1069187405.db2.gz WGECFRNJNRHPPK-ZDUSSCGKSA-N 1 1 400.457 -0.260 20 5 HBBDMO C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000428550876 1069187399 /nfs/dbraw/zinc/18/73/99/1069187399.db2.gz WGECFRNJNRHPPK-ZDUSSCGKSA-N 1 1 400.457 -0.260 20 5 HBBDMO COC(=O)CNC(=O)c1ccc(NC[C@@](C)(O)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000433382182 1069446969 /nfs/dbraw/zinc/44/69/69/1069446969.db2.gz CICYAXWZWIKOQU-GOSISDBHSA-N 1 1 410.427 -0.007 20 5 HBBDMO COC(=O)CNC(=O)c1ccc(NC[C@](C)(O)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000433382183 1069447165 /nfs/dbraw/zinc/44/71/65/1069447165.db2.gz CICYAXWZWIKOQU-SFHVURJKSA-N 1 1 410.427 -0.007 20 5 HBBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N3CCN(CCO)[C@@H](C)C3)n2)CC[N@H+]1CCO ZINC000433780967 1069519234 /nfs/dbraw/zinc/51/92/34/1069519234.db2.gz DIGZLAUASWGAFI-CVEARBPZSA-N 1 1 408.503 -0.005 20 5 HBBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N3CCN(CCO)[C@@H](C)C3)n2)CC[N@@H+]1CCO ZINC000433780967 1069519230 /nfs/dbraw/zinc/51/92/30/1069519230.db2.gz DIGZLAUASWGAFI-CVEARBPZSA-N 1 1 408.503 -0.005 20 5 HBBDMO C[C@H]1CN(c2nc(N3CC[N@@H+](CCO)[C@@H](C)C3)ccc2[N+](=O)[O-])CCN1CCO ZINC000433780968 1069519163 /nfs/dbraw/zinc/51/91/63/1069519163.db2.gz DIGZLAUASWGAFI-HOTGVXAUSA-N 1 1 408.503 -0.005 20 5 HBBDMO C[C@H]1CN(c2nc(N3CC[N@H+](CCO)[C@@H](C)C3)ccc2[N+](=O)[O-])CCN1CCO ZINC000433780968 1069519160 /nfs/dbraw/zinc/51/91/60/1069519160.db2.gz DIGZLAUASWGAFI-HOTGVXAUSA-N 1 1 408.503 -0.005 20 5 HBBDMO C[C@@H]1CN(c2nc(N3CC[N@@H+](CCO)[C@H](C)C3)ccc2[N+](=O)[O-])CCN1CCO ZINC000433780969 1069519307 /nfs/dbraw/zinc/51/93/07/1069519307.db2.gz DIGZLAUASWGAFI-HZPDHXFCSA-N 1 1 408.503 -0.005 20 5 HBBDMO C[C@@H]1CN(c2nc(N3CC[N@H+](CCO)[C@H](C)C3)ccc2[N+](=O)[O-])CCN1CCO ZINC000433780969 1069519300 /nfs/dbraw/zinc/51/93/00/1069519300.db2.gz DIGZLAUASWGAFI-HZPDHXFCSA-N 1 1 408.503 -0.005 20 5 HBBDMO C[C@@H]1CN(c2nc(N3CC[N@@H+](CCO)[C@@H](C)C3)ccc2[N+](=O)[O-])CCN1CCO ZINC000433780970 1069519347 /nfs/dbraw/zinc/51/93/47/1069519347.db2.gz DIGZLAUASWGAFI-JKSUJKDBSA-N 1 1 408.503 -0.005 20 5 HBBDMO C[C@@H]1CN(c2nc(N3CC[N@H+](CCO)[C@@H](C)C3)ccc2[N+](=O)[O-])CCN1CCO ZINC000433780970 1069519342 /nfs/dbraw/zinc/51/93/42/1069519342.db2.gz DIGZLAUASWGAFI-JKSUJKDBSA-N 1 1 408.503 -0.005 20 5 HBBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](CCO)CC2)nc1N1CCCN(CCO)CC1 ZINC000434080989 1069540074 /nfs/dbraw/zinc/54/00/74/1069540074.db2.gz OIULBIZANCBWSR-UHFFFAOYSA-N 1 1 408.503 -0.001 20 5 HBBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+](CCO)CC2)nc1N1CCCN(CCO)CC1 ZINC000434080989 1069540071 /nfs/dbraw/zinc/54/00/71/1069540071.db2.gz OIULBIZANCBWSR-UHFFFAOYSA-N 1 1 408.503 -0.001 20 5 HBBDMO C[C@@](O)(CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C[NH+]1CCOCC1 ZINC000434319129 1069772097 /nfs/dbraw/zinc/77/20/97/1069772097.db2.gz WPZLQFRMTOYJLS-GOSISDBHSA-N 1 1 406.395 -0.610 20 5 HBBDMO C[C@](O)(CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C[NH+]1CCOCC1 ZINC000434319130 1069772129 /nfs/dbraw/zinc/77/21/29/1069772129.db2.gz WPZLQFRMTOYJLS-SFHVURJKSA-N 1 1 406.395 -0.610 20 5 HBBDMO C[C@@](O)(CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000434321019 1069772619 /nfs/dbraw/zinc/77/26/19/1069772619.db2.gz IYKPTEMHUADYLF-GOSISDBHSA-N 1 1 409.443 -0.407 20 5 HBBDMO C[C@](O)(CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000434321020 1069772812 /nfs/dbraw/zinc/77/28/12/1069772812.db2.gz IYKPTEMHUADYLF-SFHVURJKSA-N 1 1 409.443 -0.407 20 5 HBBDMO Cc1c(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000434329498 1069773537 /nfs/dbraw/zinc/77/35/37/1069773537.db2.gz ZLURDMRCPAZTSS-INIZCTEOSA-N 1 1 416.456 -0.636 20 5 HBBDMO Cc1c(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000434329499 1069773362 /nfs/dbraw/zinc/77/33/62/1069773362.db2.gz ZLURDMRCPAZTSS-MRXNPFEDSA-N 1 1 416.456 -0.636 20 5 HBBDMO O=C(C[N@@H+]1CCC[C@H](O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000434697487 1069809093 /nfs/dbraw/zinc/80/90/93/1069809093.db2.gz PFFUHZLGMUTHEO-HNNXBMFYSA-N 1 1 412.468 -0.116 20 5 HBBDMO O=C(C[N@@H+]1CCC[C@H](O)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000434713574 1069811237 /nfs/dbraw/zinc/81/12/37/1069811237.db2.gz IRFOORKLZCKASF-HNNXBMFYSA-N 1 1 412.468 -0.116 20 5 HBBDMO Cc1nc(N2CC[NH+](C[C@@H](C)O)CC2)nc(N2CCN(C[C@@H](C)O)CC2)c1[N+](=O)[O-] ZINC000436451466 1069978745 /nfs/dbraw/zinc/97/87/45/1069978745.db2.gz LBXSXDZGGUAFKN-HUUCEWRRSA-N 1 1 423.518 -0.301 20 5 HBBDMO NS(=O)(=O)c1ccc(NCCC(=O)NCC[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000438685190 1070165527 /nfs/dbraw/zinc/16/55/27/1070165527.db2.gz XTCYGSSUKIEGKR-UHFFFAOYSA-N 1 1 415.472 -0.117 20 5 HBBDMO CNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438717950 1070171150 /nfs/dbraw/zinc/17/11/50/1070171150.db2.gz BYPMWSXPGLVFSV-HNNXBMFYSA-N 1 1 424.483 -0.118 20 5 HBBDMO CNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438717952 1070170933 /nfs/dbraw/zinc/17/09/33/1070170933.db2.gz BYPMWSXPGLVFSV-OAHLLOKOSA-N 1 1 424.483 -0.118 20 5 HBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 ZINC000438826580 1070190629 /nfs/dbraw/zinc/19/06/29/1070190629.db2.gz FBCFMZIYCXHXDX-INIZCTEOSA-N 1 1 418.458 -0.399 20 5 HBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 ZINC000438826581 1070190771 /nfs/dbraw/zinc/19/07/71/1070190771.db2.gz FBCFMZIYCXHXDX-MRXNPFEDSA-N 1 1 418.458 -0.399 20 5 HBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(Cc3nnnn3-c3ccccc3)CC2)c1 ZINC000440410303 1070376979 /nfs/dbraw/zinc/37/69/79/1070376979.db2.gz BUVATEMDZPQOFP-KRWDZBQOSA-N 1 1 413.442 -0.054 20 5 HBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(Cc3nnnn3-c3ccccc3)CC2)c1 ZINC000440410306 1070376905 /nfs/dbraw/zinc/37/69/05/1070376905.db2.gz BUVATEMDZPQOFP-QGZVFWFLSA-N 1 1 413.442 -0.054 20 5 HBBDMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000440492297 1071338495 /nfs/dbraw/zinc/33/84/95/1071338495.db2.gz IZDGSKDEDWVBLI-HNNXBMFYSA-N 1 1 419.486 -0.292 20 5 HBBDMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000440492297 1071338489 /nfs/dbraw/zinc/33/84/89/1071338489.db2.gz IZDGSKDEDWVBLI-HNNXBMFYSA-N 1 1 419.486 -0.292 20 5 HBBDMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000440492298 1071338344 /nfs/dbraw/zinc/33/83/44/1071338344.db2.gz IZDGSKDEDWVBLI-OAHLLOKOSA-N 1 1 419.486 -0.292 20 5 HBBDMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000440492298 1071338340 /nfs/dbraw/zinc/33/83/40/1071338340.db2.gz IZDGSKDEDWVBLI-OAHLLOKOSA-N 1 1 419.486 -0.292 20 5 HBBDMO CN(CCCNC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)S(C)(=O)=O ZINC000440503879 1071339038 /nfs/dbraw/zinc/33/90/38/1071339038.db2.gz KQWVRCLPKKIKGZ-CYBMUJFWSA-N 1 1 414.488 -0.126 20 5 HBBDMO CN(CCCNC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)S(C)(=O)=O ZINC000440503879 1071339033 /nfs/dbraw/zinc/33/90/33/1071339033.db2.gz KQWVRCLPKKIKGZ-CYBMUJFWSA-N 1 1 414.488 -0.126 20 5 HBBDMO CN(CCCNC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)S(C)(=O)=O ZINC000440503880 1071338534 /nfs/dbraw/zinc/33/85/34/1071338534.db2.gz KQWVRCLPKKIKGZ-ZDUSSCGKSA-N 1 1 414.488 -0.126 20 5 HBBDMO CN(CCCNC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)S(C)(=O)=O ZINC000440503880 1071338522 /nfs/dbraw/zinc/33/85/22/1071338522.db2.gz KQWVRCLPKKIKGZ-ZDUSSCGKSA-N 1 1 414.488 -0.126 20 5 HBBDMO C[N@@H+](CCCO)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000440948314 1071457571 /nfs/dbraw/zinc/45/75/71/1071457571.db2.gz LTWFHSFKYPUUJN-UHFFFAOYSA-N 1 1 400.457 -0.258 20 5 HBBDMO C[N@@H+](CCCO)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000440971422 1071466891 /nfs/dbraw/zinc/46/68/91/1071466891.db2.gz ZKFSOJJSWIINJB-UHFFFAOYSA-N 1 1 400.457 -0.258 20 5 HBBDMO C[C@@H](O)C[NH+]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000444383782 1071302979 /nfs/dbraw/zinc/30/29/79/1071302979.db2.gz KADPLUZNFRVCBM-CYBMUJFWSA-N 1 1 400.457 -0.260 20 5 HBBDMO C[C@@H](O)C[NH+]1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000444385761 1071302964 /nfs/dbraw/zinc/30/29/64/1071302964.db2.gz BSGNFYCDHWAJRY-GFCCVEGCSA-N 1 1 415.472 -0.431 20 5 HBBDMO C[C@@H](O)C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000444388864 1071300947 /nfs/dbraw/zinc/30/09/47/1071300947.db2.gz MDWFQFCTUJBKLH-CYBMUJFWSA-N 1 1 400.457 -0.212 20 5 HBBDMO C[C@@H](O)C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000444389451 1071300129 /nfs/dbraw/zinc/30/01/29/1071300129.db2.gz PGQAFBKRLILNFW-CYBMUJFWSA-N 1 1 400.457 -0.212 20 5 HBBDMO O=C(C[N@@H+]1CC[C@@H](CO)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000446029021 1071452323 /nfs/dbraw/zinc/45/23/23/1071452323.db2.gz NSVKMEOMHJUTEW-CQSZACIVSA-N 1 1 412.468 -0.258 20 5 HBBDMO O=C(C[N@@H+]1CC[C@@H](CO)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000446037419 1069002575 /nfs/dbraw/zinc/00/25/75/1069002575.db2.gz ZTNNUJKGWKVMJQ-CQSZACIVSA-N 1 1 412.468 -0.258 20 5 HBBDMO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CCCOCC1 ZINC000446491620 1071494054 /nfs/dbraw/zinc/49/40/54/1071494054.db2.gz ADRIJZGGIHFZJT-UHFFFAOYSA-N 1 1 415.472 -0.105 20 5 HBBDMO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC[N@H+]1CCCOCC1 ZINC000446508157 1071497046 /nfs/dbraw/zinc/49/70/46/1071497046.db2.gz VVXMYCRQYPCNSY-UHFFFAOYSA-N 1 1 415.472 -0.105 20 5 HBBDMO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC[N@H+]1CCCOCC1 ZINC000446684447 1071509089 /nfs/dbraw/zinc/50/90/89/1071509089.db2.gz XNMPZCUYKIOMLL-UHFFFAOYSA-N 1 1 415.472 -0.105 20 5 HBBDMO C[N@H+]1CC[C@](O)(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000460261297 1071380569 /nfs/dbraw/zinc/38/05/69/1071380569.db2.gz JUSUEFNYIPITJG-HNNXBMFYSA-N 1 1 401.445 -0.761 20 5 HBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000460261299 1071380668 /nfs/dbraw/zinc/38/06/68/1071380668.db2.gz JUSUEFNYIPITJG-OAHLLOKOSA-N 1 1 401.445 -0.761 20 5 HBBDMO C[N@H+]1CC[C@](O)(CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000460267382 1071380878 /nfs/dbraw/zinc/38/08/78/1071380878.db2.gz VOOPWAURPMJENM-HNNXBMFYSA-N 1 1 401.445 -0.761 20 5 HBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000460267383 1071380812 /nfs/dbraw/zinc/38/08/12/1071380812.db2.gz VOOPWAURPMJENM-OAHLLOKOSA-N 1 1 401.445 -0.761 20 5 HBBDMO C[N@H+]1CC[C@](O)(CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000460269242 1071380840 /nfs/dbraw/zinc/38/08/40/1071380840.db2.gz JRNIZZRPRQLBGA-HNNXBMFYSA-N 1 1 401.445 -0.761 20 5 HBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000460269244 1071380523 /nfs/dbraw/zinc/38/05/23/1071380523.db2.gz JRNIZZRPRQLBGA-OAHLLOKOSA-N 1 1 401.445 -0.761 20 5 HBBDMO O=C(C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)N1CCNC(=O)C1 ZINC000460344783 1071423967 /nfs/dbraw/zinc/42/39/67/1071423967.db2.gz DGHMRKNEOBLKFM-UHFFFAOYSA-N 1 1 401.427 -0.058 20 5 HBBDMO O=C(C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)N1CCNC(=O)C1 ZINC000460344783 1071423963 /nfs/dbraw/zinc/42/39/63/1071423963.db2.gz DGHMRKNEOBLKFM-UHFFFAOYSA-N 1 1 401.427 -0.058 20 5 HBBDMO C[C@H](O)C[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000463344165 1071364061 /nfs/dbraw/zinc/36/40/61/1071364061.db2.gz QLZMDSJFVFLBPT-ZDUSSCGKSA-N 1 1 400.457 -0.260 20 5 HBBDMO C[C@@H](O)C[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000463345684 1071364537 /nfs/dbraw/zinc/36/45/37/1071364537.db2.gz QLZMDSJFVFLBPT-CYBMUJFWSA-N 1 1 400.457 -0.260 20 5 HBBDMO C[C@@H](O)C[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000463354832 1071365600 /nfs/dbraw/zinc/36/56/00/1071365600.db2.gz QTJWLZKPVOBCRC-CYBMUJFWSA-N 1 1 400.457 -0.260 20 5 HBBDMO C[C@H](O)C[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000463359529 1071366809 /nfs/dbraw/zinc/36/68/09/1071366809.db2.gz QTJWLZKPVOBCRC-ZDUSSCGKSA-N 1 1 400.457 -0.260 20 5 HBBDMO C[C@](O)(CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000467504407 1071426287 /nfs/dbraw/zinc/42/62/87/1071426287.db2.gz RKSGODFEBLEZQI-KRWDZBQOSA-N 1 1 412.468 -0.015 20 5 HBBDMO C[C@@](O)(CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000467504409 1071427064 /nfs/dbraw/zinc/42/70/64/1071427064.db2.gz RKSGODFEBLEZQI-QGZVFWFLSA-N 1 1 412.468 -0.015 20 5 HBBDMO C[N@H+]1CCO[C@H](C(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C1 ZINC000468140069 1072051479 /nfs/dbraw/zinc/05/14/79/1072051479.db2.gz KNOSRWVIFYFGKC-INIZCTEOSA-N 1 1 412.468 -0.023 20 5 HBBDMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C1 ZINC000468140069 1072051465 /nfs/dbraw/zinc/05/14/65/1072051465.db2.gz KNOSRWVIFYFGKC-INIZCTEOSA-N 1 1 412.468 -0.023 20 5 HBBDMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C1 ZINC000468140070 1072051396 /nfs/dbraw/zinc/05/13/96/1072051396.db2.gz KNOSRWVIFYFGKC-MRXNPFEDSA-N 1 1 412.468 -0.023 20 5 HBBDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C1 ZINC000468140070 1072051390 /nfs/dbraw/zinc/05/13/90/1072051390.db2.gz KNOSRWVIFYFGKC-MRXNPFEDSA-N 1 1 412.468 -0.023 20 5 HBBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000468934921 1072101702 /nfs/dbraw/zinc/10/17/02/1072101702.db2.gz LSKYVTJHOWMMCP-UHFFFAOYSA-N 1 1 414.440 -0.176 20 5 HBBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000469362597 1072120414 /nfs/dbraw/zinc/12/04/14/1072120414.db2.gz JSWXFHAGOHCHMY-CYBMUJFWSA-N 1 1 414.440 -0.001 20 5 HBBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000469362597 1072120412 /nfs/dbraw/zinc/12/04/12/1072120412.db2.gz JSWXFHAGOHCHMY-CYBMUJFWSA-N 1 1 414.440 -0.001 20 5 HBBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000469362599 1072120467 /nfs/dbraw/zinc/12/04/67/1072120467.db2.gz JSWXFHAGOHCHMY-ZDUSSCGKSA-N 1 1 414.440 -0.001 20 5 HBBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000469362599 1072120464 /nfs/dbraw/zinc/12/04/64/1072120464.db2.gz JSWXFHAGOHCHMY-ZDUSSCGKSA-N 1 1 414.440 -0.001 20 5 HBBDMO Cc1c(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000469506398 1072129066 /nfs/dbraw/zinc/12/90/66/1072129066.db2.gz GQAPYLBXAQATKZ-UHFFFAOYSA-N 1 1 413.456 -0.555 20 5 HBBDMO O=C(C[N@@H+]1CC[C@H](CO)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000471192595 1068261602 /nfs/dbraw/zinc/26/16/02/1068261602.db2.gz ZTNNUJKGWKVMJQ-AWEZNQCLSA-N 1 1 412.468 -0.258 20 5 HBBDMO O=C(C[N@@H+]1CC[C@H](CO)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000471199517 1068264046 /nfs/dbraw/zinc/26/40/46/1068264046.db2.gz NSVKMEOMHJUTEW-AWEZNQCLSA-N 1 1 412.468 -0.258 20 5 HBBDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000473429775 1069378619 /nfs/dbraw/zinc/37/86/19/1069378619.db2.gz PGXJQVONGJJUOS-UHFFFAOYSA-N 1 1 417.422 -0.187 20 5 HBBDMO CN(C(=O)c1cc([N+](=O)[O-])nn1C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000476371501 1069393694 /nfs/dbraw/zinc/39/36/94/1069393694.db2.gz CICSDPWTTNIIBE-UHFFFAOYSA-N 1 1 407.475 -0.361 20 5 HBBDMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000477196223 1069544724 /nfs/dbraw/zinc/54/47/24/1069544724.db2.gz SKZAYLQVNAVVGV-UHFFFAOYSA-N 1 1 414.440 -0.192 20 5 HBBDMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000478061184 1069781698 /nfs/dbraw/zinc/78/16/98/1069781698.db2.gz KNTNSVFLQZTYSG-KRWDZBQOSA-N 1 1 423.495 -0.182 20 5 HBBDMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000478061185 1068682804 /nfs/dbraw/zinc/68/28/04/1068682804.db2.gz KNTNSVFLQZTYSG-QGZVFWFLSA-N 1 1 423.495 -0.182 20 5 HBBDMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000478063755 1069784028 /nfs/dbraw/zinc/78/40/28/1069784028.db2.gz QOOHSHOIPTXKDB-INIZCTEOSA-N 1 1 423.495 -0.182 20 5 HBBDMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000478063759 1069784179 /nfs/dbraw/zinc/78/41/79/1069784179.db2.gz QOOHSHOIPTXKDB-MRXNPFEDSA-N 1 1 423.495 -0.182 20 5 HBBDMO C[C@@](O)(CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000478549599 1068689868 /nfs/dbraw/zinc/68/98/68/1068689868.db2.gz NPRGKJZFPLYQHX-GOSISDBHSA-N 1 1 408.411 -0.480 20 5 HBBDMO C[C@](O)(CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000478549615 1069850316 /nfs/dbraw/zinc/85/03/16/1069850316.db2.gz NPRGKJZFPLYQHX-SFHVURJKSA-N 1 1 408.411 -0.480 20 5 HBBDMO CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)c([N+](=O)[O-])c1 ZINC000479473103 1069985694 /nfs/dbraw/zinc/98/56/94/1069985694.db2.gz XYZBNGQVILCATQ-INIZCTEOSA-N 1 1 411.484 -0.084 20 5 HBBDMO CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]2C[N@H+]3CCN2CCC3)c([N+](=O)[O-])c1 ZINC000479473104 1069985845 /nfs/dbraw/zinc/98/58/45/1069985845.db2.gz XYZBNGQVILCATQ-MRXNPFEDSA-N 1 1 411.484 -0.084 20 5 HBBDMO C[C@](O)(CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C[NH+]1CCOCC1 ZINC000480507793 1068879630 /nfs/dbraw/zinc/87/96/30/1068879630.db2.gz AUIUHVJOYRIHLF-ACJLOTCBSA-N 1 1 410.427 -0.008 20 5 HBBDMO C[C@@](O)(CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C[NH+]1CCOCC1 ZINC000480507794 1068879651 /nfs/dbraw/zinc/87/96/51/1068879651.db2.gz AUIUHVJOYRIHLF-FZKQIMNGSA-N 1 1 410.427 -0.008 20 5 HBBDMO C[C@@](O)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C[NH+]1CCOCC1 ZINC000480507795 1070111193 /nfs/dbraw/zinc/11/11/93/1070111193.db2.gz AUIUHVJOYRIHLF-SCLBCKFNSA-N 1 1 410.427 -0.008 20 5 HBBDMO C[C@](O)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C[NH+]1CCOCC1 ZINC000480507796 1068879766 /nfs/dbraw/zinc/87/97/66/1068879766.db2.gz AUIUHVJOYRIHLF-UGSOOPFHSA-N 1 1 410.427 -0.008 20 5 HBBDMO C[C@]1(O)CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000483042269 1070322273 /nfs/dbraw/zinc/32/22/73/1070322273.db2.gz BZEHMJPPVDYYAD-KRWDZBQOSA-N 1 1 412.468 -0.116 20 5 HBBDMO C[C@@]1(O)CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000483042270 1070322321 /nfs/dbraw/zinc/32/23/21/1070322321.db2.gz BZEHMJPPVDYYAD-QGZVFWFLSA-N 1 1 412.468 -0.116 20 5 HBBDMO C[C@]1(O)CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000483043916 1070321990 /nfs/dbraw/zinc/32/19/90/1070321990.db2.gz FDQWQZFPOIQQPU-KRWDZBQOSA-N 1 1 412.468 -0.116 20 5 HBBDMO C[C@@]1(O)CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000483043920 1070322057 /nfs/dbraw/zinc/32/20/57/1070322057.db2.gz FDQWQZFPOIQQPU-QGZVFWFLSA-N 1 1 412.468 -0.116 20 5 HBBDMO C[C@@H](O)C[NH+]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000485263497 1070443776 /nfs/dbraw/zinc/44/37/76/1070443776.db2.gz WSUQLJUKYAJWNG-CYBMUJFWSA-N 1 1 415.472 -0.419 20 5 HBBDMO C[C@H](O)C[NH+]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000485263498 1070443801 /nfs/dbraw/zinc/44/38/01/1070443801.db2.gz WSUQLJUKYAJWNG-ZDUSSCGKSA-N 1 1 415.472 -0.419 20 5 HBBDMO C[C@H](O)C[NH+]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000487132810 1070532119 /nfs/dbraw/zinc/53/21/19/1070532119.db2.gz WPRXGYAXKKFRBK-ZDUSSCGKSA-N 1 1 415.472 -0.419 20 5 HBBDMO C[C@@H](O)C[NH+]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000487149835 1070533417 /nfs/dbraw/zinc/53/34/17/1070533417.db2.gz WPRXGYAXKKFRBK-CYBMUJFWSA-N 1 1 415.472 -0.419 20 5 HBBDMO COC(=O)c1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c(C)c([N+](=O)[O-])c1 ZINC000487919162 1071678512 /nfs/dbraw/zinc/67/85/12/1071678512.db2.gz VTOUINRARCNPAZ-CYBMUJFWSA-N 1 1 407.427 -0.010 20 5 HBBDMO COC(=O)c1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(C)c([N+](=O)[O-])c1 ZINC000487919163 1071678649 /nfs/dbraw/zinc/67/86/49/1071678649.db2.gz VTOUINRARCNPAZ-ZDUSSCGKSA-N 1 1 407.427 -0.010 20 5 HBBDMO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000487989527 1070557975 /nfs/dbraw/zinc/55/79/75/1070557975.db2.gz QKHVLMRKWMMFOI-CABCVRRESA-N 1 1 405.477 -0.475 20 5 HBBDMO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000487989528 1071715545 /nfs/dbraw/zinc/71/55/45/1071715545.db2.gz QKHVLMRKWMMFOI-GJZGRUSLSA-N 1 1 405.477 -0.475 20 5 HBBDMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000487989529 1071716050 /nfs/dbraw/zinc/71/60/50/1071716050.db2.gz QKHVLMRKWMMFOI-HUUCEWRRSA-N 1 1 405.477 -0.475 20 5 HBBDMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000487989530 1071716018 /nfs/dbraw/zinc/71/60/18/1071716018.db2.gz QKHVLMRKWMMFOI-LSDHHAIUSA-N 1 1 405.477 -0.475 20 5 HBBDMO CN(CCCNC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)S(C)(=O)=O ZINC000489035580 1070590502 /nfs/dbraw/zinc/59/05/02/1070590502.db2.gz FMSDFDYMKUYTQX-UHFFFAOYSA-N 1 1 402.477 -0.174 20 5 HBBDMO Cc1nc(N2CC[NH+](C[C@H](C)O)CC2)nc(N2CCN(C[C@H](C)O)CC2)c1[N+](=O)[O-] ZINC000489936082 1070629703 /nfs/dbraw/zinc/62/97/03/1070629703.db2.gz LBXSXDZGGUAFKN-GJZGRUSLSA-N 1 1 423.518 -0.301 20 5 HBBDMO Cc1nc(N2CC[N@@H+](CCO)[C@@H](C)C2)nc(N2CCN(CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000490043292 1070633765 /nfs/dbraw/zinc/63/37/65/1070633765.db2.gz PULLDHRPRDMQBE-CABCVRRESA-N 1 1 423.518 -0.301 20 5 HBBDMO Cc1nc(N2CC[N@H+](CCO)[C@@H](C)C2)nc(N2CCN(CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000490043292 1070633760 /nfs/dbraw/zinc/63/37/60/1070633760.db2.gz PULLDHRPRDMQBE-CABCVRRESA-N 1 1 423.518 -0.301 20 5 HBBDMO Cc1nc(N2CC[N@@H+](CCO)[C@@H](C)C2)nc(N2CCN(CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000490043295 1070633672 /nfs/dbraw/zinc/63/36/72/1070633672.db2.gz PULLDHRPRDMQBE-GJZGRUSLSA-N 1 1 423.518 -0.301 20 5 HBBDMO Cc1nc(N2CC[N@H+](CCO)[C@@H](C)C2)nc(N2CCN(CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000490043295 1070633660 /nfs/dbraw/zinc/63/36/60/1070633660.db2.gz PULLDHRPRDMQBE-GJZGRUSLSA-N 1 1 423.518 -0.301 20 5 HBBDMO Cc1nc(N2CC[N@@H+](CCO)[C@H](C)C2)nc(N2CCN(CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000490043299 1070633850 /nfs/dbraw/zinc/63/38/50/1070633850.db2.gz PULLDHRPRDMQBE-HUUCEWRRSA-N 1 1 423.518 -0.301 20 5 HBBDMO Cc1nc(N2CC[N@H+](CCO)[C@H](C)C2)nc(N2CCN(CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000490043299 1070633847 /nfs/dbraw/zinc/63/38/47/1070633847.db2.gz PULLDHRPRDMQBE-HUUCEWRRSA-N 1 1 423.518 -0.301 20 5 HBBDMO Cc1nc(N2CC[N@@H+](CCO)[C@H](C)C2)nc(N2CCN(CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000490043301 1070633711 /nfs/dbraw/zinc/63/37/11/1070633711.db2.gz PULLDHRPRDMQBE-LSDHHAIUSA-N 1 1 423.518 -0.301 20 5 HBBDMO Cc1nc(N2CC[N@H+](CCO)[C@H](C)C2)nc(N2CCN(CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000490043301 1070633703 /nfs/dbraw/zinc/63/37/03/1070633703.db2.gz PULLDHRPRDMQBE-LSDHHAIUSA-N 1 1 423.518 -0.301 20 5 HBBDMO O=C(C[N@@H+]1C[C@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000494703191 1071618312 /nfs/dbraw/zinc/61/83/12/1071618312.db2.gz MDMIXFPAQLNHGL-INIZCTEOSA-N 1 1 424.479 -0.116 20 5 HBBDMO O=C(C[N@@H+]1C[C@@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000494703206 1071618274 /nfs/dbraw/zinc/61/82/74/1071618274.db2.gz MDMIXFPAQLNHGL-MRXNPFEDSA-N 1 1 424.479 -0.116 20 5 HBBDMO O=C(C[N@@H+]1C[C@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000494714636 1071621131 /nfs/dbraw/zinc/62/11/31/1071621131.db2.gz XRTQVTJJICLOHZ-INIZCTEOSA-N 1 1 424.479 -0.116 20 5 HBBDMO O=C(C[N@@H+]1C[C@@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000494714637 1071621281 /nfs/dbraw/zinc/62/12/81/1071621281.db2.gz XRTQVTJJICLOHZ-MRXNPFEDSA-N 1 1 424.479 -0.116 20 5 HBBDMO C[C@@H](O)C[NH+]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000497574728 1071804529 /nfs/dbraw/zinc/80/45/29/1071804529.db2.gz KUPQGZWCYDLNPL-CYBMUJFWSA-N 1 1 415.472 -0.419 20 5 HBBDMO C[C@H](O)C[NH+]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000497574729 1071804675 /nfs/dbraw/zinc/80/46/75/1071804675.db2.gz KUPQGZWCYDLNPL-ZDUSSCGKSA-N 1 1 415.472 -0.419 20 5 HBBDMO CNC(=O)C[NH+]1CCC(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498350986 1071899397 /nfs/dbraw/zinc/89/93/97/1071899397.db2.gz AMSVOCSQXRQEBE-UHFFFAOYSA-N 1 1 406.443 -0.279 20 5 HBBDMO CN(C(=O)c1c([N+](=O)[O-])cnn1C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000501126257 1069551705 /nfs/dbraw/zinc/55/17/05/1069551705.db2.gz CXAVXNVWOPTVEV-UHFFFAOYSA-N 1 1 407.475 -0.361 20 5 HBBDMO O=C(C[N@@H+]1CCC[C@H]1CO)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000502086008 1069590186 /nfs/dbraw/zinc/59/01/86/1069590186.db2.gz XWDHYVFSDXWBAI-HNNXBMFYSA-N 1 1 412.468 -0.116 20 5 HBBDMO O=C(C[N@@H+]1CCC[C@@H]1CO)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000502086009 1069590310 /nfs/dbraw/zinc/59/03/10/1069590310.db2.gz XWDHYVFSDXWBAI-OAHLLOKOSA-N 1 1 412.468 -0.116 20 5 HBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000502381519 1069612169 /nfs/dbraw/zinc/61/21/69/1069612169.db2.gz XMAWJWPEVDQDRM-HNNXBMFYSA-N 1 1 400.457 -0.117 20 5 HBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000502381519 1069612161 /nfs/dbraw/zinc/61/21/61/1069612161.db2.gz XMAWJWPEVDQDRM-HNNXBMFYSA-N 1 1 400.457 -0.117 20 5 HBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000502381520 1069612273 /nfs/dbraw/zinc/61/22/73/1069612273.db2.gz XMAWJWPEVDQDRM-OAHLLOKOSA-N 1 1 400.457 -0.117 20 5 HBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000502381520 1069612269 /nfs/dbraw/zinc/61/22/69/1069612269.db2.gz XMAWJWPEVDQDRM-OAHLLOKOSA-N 1 1 400.457 -0.117 20 5 HBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 ZINC000502386703 1069612738 /nfs/dbraw/zinc/61/27/38/1069612738.db2.gz QCEQGGFOKKKKIF-CABCVRRESA-N 1 1 403.461 -0.721 20 5 HBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 ZINC000502386704 1069612700 /nfs/dbraw/zinc/61/27/00/1069612700.db2.gz QCEQGGFOKKKKIF-GJZGRUSLSA-N 1 1 403.461 -0.721 20 5 HBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 ZINC000502386705 1069612878 /nfs/dbraw/zinc/61/28/78/1069612878.db2.gz QCEQGGFOKKKKIF-HUUCEWRRSA-N 1 1 403.461 -0.721 20 5 HBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 ZINC000502386706 1069612939 /nfs/dbraw/zinc/61/29/39/1069612939.db2.gz QCEQGGFOKKKKIF-LSDHHAIUSA-N 1 1 403.461 -0.721 20 5 HBBDMO C[C@H](CO)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000503074428 1069646590 /nfs/dbraw/zinc/64/65/90/1069646590.db2.gz KNZHFARLSGATNW-CYBMUJFWSA-N 1 1 400.457 -0.260 20 5 HBBDMO C[C@@H](CO)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000503074431 1069647335 /nfs/dbraw/zinc/64/73/35/1069647335.db2.gz KNZHFARLSGATNW-ZDUSSCGKSA-N 1 1 400.457 -0.260 20 5 HBBDMO C[C@H](CO)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000503121043 1069649272 /nfs/dbraw/zinc/64/92/72/1069649272.db2.gz VFFSVRMPARVVFK-CYBMUJFWSA-N 1 1 400.457 -0.260 20 5 HBBDMO C[C@@H](CO)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000503121046 1069649233 /nfs/dbraw/zinc/64/92/33/1069649233.db2.gz VFFSVRMPARVVFK-ZDUSSCGKSA-N 1 1 400.457 -0.260 20 5 HBBDMO CNC(=O)C[NH+]1CCC(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000505981848 1070035303 /nfs/dbraw/zinc/03/53/03/1070035303.db2.gz MJSUKWAHYBHWJP-UHFFFAOYSA-N 1 1 405.411 -0.353 20 5 HBBDMO C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000507491291 1070497403 /nfs/dbraw/zinc/49/74/03/1070497403.db2.gz KZIZVNVMKRDCGR-HIFRSBDPSA-N 1 1 412.468 -0.117 20 5 HBBDMO C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000507491292 1070497462 /nfs/dbraw/zinc/49/74/62/1070497462.db2.gz KZIZVNVMKRDCGR-ZFWWWQNUSA-N 1 1 412.468 -0.117 20 5 HBBDMO O=C(C[N@@H+]1CCC[C@@H]1CO)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000507690885 1070522794 /nfs/dbraw/zinc/52/27/94/1070522794.db2.gz CSCKHFBEZWKVSX-OAHLLOKOSA-N 1 1 412.468 -0.116 20 5 HBBDMO 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C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000530361233 1069074503 /nfs/dbraw/zinc/07/45/03/1069074503.db2.gz DYVGIXBLRRITCW-UKRRQHHQSA-N 1 1 412.468 -0.117 20 5 HBBDMO C[C@H]1C[C@H](O)C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000530361234 1069074516 /nfs/dbraw/zinc/07/45/16/1069074516.db2.gz DYVGIXBLRRITCW-ZFWWWQNUSA-N 1 1 412.468 -0.117 20 5 HBBDMO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000530413563 1069076006 /nfs/dbraw/zinc/07/60/06/1069076006.db2.gz QCQCOYKZUQRVFB-DZGCQCFKSA-N 1 1 412.468 -0.117 20 5 HBBDMO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000530413564 1069075978 /nfs/dbraw/zinc/07/59/78/1069075978.db2.gz QCQCOYKZUQRVFB-HIFRSBDPSA-N 1 1 412.468 -0.117 20 5 HBBDMO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000530413565 1069076085 /nfs/dbraw/zinc/07/60/85/1069076085.db2.gz QCQCOYKZUQRVFB-UKRRQHHQSA-N 1 1 412.468 -0.117 20 5 HBBDMO C[C@H]1C[C@H](O)C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000530413566 1069076050 /nfs/dbraw/zinc/07/60/50/1069076050.db2.gz QCQCOYKZUQRVFB-ZFWWWQNUSA-N 1 1 412.468 -0.117 20 5 HBBDMO COc1ccc(C(=O)NCC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000531364057 1069112387 /nfs/dbraw/zinc/11/23/87/1069112387.db2.gz CSIXMKLTEGHWRJ-GOSISDBHSA-N 1 1 410.427 -0.467 20 5 HBBDMO COc1ccc(C(=O)NCC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000531364060 1069112841 /nfs/dbraw/zinc/11/28/41/1069112841.db2.gz CSIXMKLTEGHWRJ-SFHVURJKSA-N 1 1 410.427 -0.467 20 5 HBBDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000532128492 1069143731 /nfs/dbraw/zinc/14/37/31/1069143731.db2.gz VHHBOKYAGVKRTJ-UHFFFAOYSA-N 1 1 419.438 -0.057 20 5 HBBDMO O=C(C[N@H+](CCO)C1CC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000532477413 1069201283 /nfs/dbraw/zinc/20/12/83/1069201283.db2.gz CKHLXJPZRISBJH-UHFFFAOYSA-N 1 1 412.468 -0.116 20 5 HBBDMO O=C(C[N@@H+](CCO)C1CC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000532477413 1069201278 /nfs/dbraw/zinc/20/12/78/1069201278.db2.gz CKHLXJPZRISBJH-UHFFFAOYSA-N 1 1 412.468 -0.116 20 5 HBBDMO Cn1c2ncn(CC[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)c2c(=O)n(C)c1=O ZINC000532706952 1069228370 /nfs/dbraw/zinc/22/83/70/1069228370.db2.gz HYTLUIKFPUBFCL-GFCCVEGCSA-N 1 1 414.426 -0.077 20 5 HBBDMO Cn1c2ncn(CC[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)c2c(=O)n(C)c1=O ZINC000532706953 1069228494 /nfs/dbraw/zinc/22/84/94/1069228494.db2.gz HYTLUIKFPUBFCL-LBPRGKRZSA-N 1 1 414.426 -0.077 20 5 HBBDMO O=C(C[N@@H+]1CCC[C@H]1CO)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000533286800 1069272374 /nfs/dbraw/zinc/27/23/74/1069272374.db2.gz CSCKHFBEZWKVSX-HNNXBMFYSA-N 1 1 412.468 -0.116 20 5 HBBDMO CCn1cc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c([N+](=O)[O-])n1 ZINC000533631595 1069301002 /nfs/dbraw/zinc/30/10/02/1069301002.db2.gz QXLJSVDISYBTHV-UHFFFAOYSA-N 1 1 414.488 -0.014 20 5 HBBDMO Cc1nc(N2CC[NH+](CCCO)CC2)nc(N2CCN(CCCO)CC2)c1[N+](=O)[O-] ZINC000534916133 1071235267 /nfs/dbraw/zinc/23/52/67/1071235267.db2.gz IITLUFVHSWZSAC-UHFFFAOYSA-N 1 1 423.518 -0.298 20 5 HBBDMO COc1ccc(C(=O)NCC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000535119804 1071242598 /nfs/dbraw/zinc/24/25/98/1071242598.db2.gz DNIWIIBFCWICGJ-UHFFFAOYSA-N 1 1 421.454 -0.044 20 5 HBBDMO C[NH+]1CCN(C(=O)CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000537879275 1069617507 /nfs/dbraw/zinc/61/75/07/1069617507.db2.gz ZPNWPTCJMYWGMY-UHFFFAOYSA-N 1 1 411.484 -0.325 20 5 HBBDMO C[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000538332301 1069658074 /nfs/dbraw/zinc/65/80/74/1069658074.db2.gz ADNGLHANHMGUCR-CYBMUJFWSA-N 1 1 400.457 -0.042 20 5 HBBDMO C[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000538332304 1069658243 /nfs/dbraw/zinc/65/82/43/1069658243.db2.gz ADNGLHANHMGUCR-ZDUSSCGKSA-N 1 1 400.457 -0.042 20 5 HBBDMO C[NH+]1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000538966322 1068634053 /nfs/dbraw/zinc/63/40/53/1068634053.db2.gz CDBNDTKUDCWYBD-UHFFFAOYSA-N 1 1 411.484 -0.325 20 5 HBBDMO CNC(=O)C[NH+]1CCC(NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000539400632 1069763571 /nfs/dbraw/zinc/76/35/71/1069763571.db2.gz PBJKZEXVGCBVQK-UHFFFAOYSA-N 1 1 413.456 -0.800 20 5 HBBDMO Cn1cc[nH+]c1N1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000539467459 1071270216 /nfs/dbraw/zinc/27/02/16/1071270216.db2.gz LLCFMUVSNVZFPY-UHFFFAOYSA-N 1 1 408.440 -0.045 20 5 HBBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000539933963 1071314669 /nfs/dbraw/zinc/31/46/69/1071314669.db2.gz BVWCHRHUKGDACJ-UHFFFAOYSA-N 1 1 413.500 -0.031 20 5 HBBDMO C[NH+]1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000540065292 1071325271 /nfs/dbraw/zinc/32/52/71/1071325271.db2.gz BUCMBZRKVYQFSB-UHFFFAOYSA-N 1 1 411.484 -0.325 20 5 HBBDMO C[NH+]1CCN(C(=O)CCNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000540526763 1071364591 /nfs/dbraw/zinc/36/45/91/1071364591.db2.gz SVLPNDKRZWWCQU-UHFFFAOYSA-N 1 1 413.456 -0.847 20 5 HBBDMO NC(=O)C1([NH2+]CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000541624771 1071462195 /nfs/dbraw/zinc/46/21/95/1071462195.db2.gz OUUGYTNXSZAPSW-UHFFFAOYSA-N 1 1 411.440 -0.965 20 5 HBBDMO COc1ccc(C(=O)NCC(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000542081711 1071504780 /nfs/dbraw/zinc/50/47/80/1071504780.db2.gz ACJLWSHFCHBCRV-UHFFFAOYSA-N 1 1 407.427 -0.387 20 5 HBBDMO CNC(=O)C[NH+]1CCC(NC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000543004332 1069273169 /nfs/dbraw/zinc/27/31/69/1069273169.db2.gz WOLIRMDJUPZXHZ-UHFFFAOYSA-N 1 1 407.427 -0.340 20 5 HBBDMO CCn1cc(S(=O)(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000543167087 1069308348 /nfs/dbraw/zinc/30/83/48/1069308348.db2.gz OGAPTNNBNJNICK-UHFFFAOYSA-N 1 1 403.461 -0.341 20 5 HBBDMO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000543183074 1069310805 /nfs/dbraw/zinc/31/08/05/1069310805.db2.gz HLSRQFJVCUPLMH-CYBMUJFWSA-N 1 1 414.440 -0.001 20 5 HBBDMO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000543183074 1069310792 /nfs/dbraw/zinc/31/07/92/1069310792.db2.gz HLSRQFJVCUPLMH-CYBMUJFWSA-N 1 1 414.440 -0.001 20 5 HBBDMO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000543183075 1069310421 /nfs/dbraw/zinc/31/04/21/1069310421.db2.gz HLSRQFJVCUPLMH-ZDUSSCGKSA-N 1 1 414.440 -0.001 20 5 HBBDMO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000543183075 1069310405 /nfs/dbraw/zinc/31/04/05/1069310405.db2.gz HLSRQFJVCUPLMH-ZDUSSCGKSA-N 1 1 414.440 -0.001 20 5 HBBDMO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000544119877 1071991014 /nfs/dbraw/zinc/99/10/14/1071991014.db2.gz KBKHZLTVOIIDLZ-UHFFFAOYSA-N 1 1 414.440 -0.176 20 5 HBBDMO Cc1nc(N2CC[N@H+]3CCOC[C@@H]3C2)nc(N2CCN3CCOC[C@H]3C2)c1[N+](=O)[O-] ZINC000544411433 1072011711 /nfs/dbraw/zinc/01/17/11/1072011711.db2.gz FWHGBKQHVIGVRH-CVEARBPZSA-N 1 1 419.486 -0.265 20 5 HBBDMO Cc1nc(N2CC[N@@H+]3CCOC[C@@H]3C2)nc(N2CCN3CCOC[C@H]3C2)c1[N+](=O)[O-] ZINC000544411433 1072011699 /nfs/dbraw/zinc/01/16/99/1072011699.db2.gz FWHGBKQHVIGVRH-CVEARBPZSA-N 1 1 419.486 -0.265 20 5 HBBDMO Cc1nc(N2CC[N@H+]3CCOC[C@@H]3C2)nc(N2CCN3CCOC[C@@H]3C2)c1[N+](=O)[O-] ZINC000544411434 1072011796 /nfs/dbraw/zinc/01/17/96/1072011796.db2.gz FWHGBKQHVIGVRH-HOTGVXAUSA-N 1 1 419.486 -0.265 20 5 HBBDMO Cc1nc(N2CC[N@@H+]3CCOC[C@@H]3C2)nc(N2CCN3CCOC[C@@H]3C2)c1[N+](=O)[O-] ZINC000544411434 1072011784 /nfs/dbraw/zinc/01/17/84/1072011784.db2.gz FWHGBKQHVIGVRH-HOTGVXAUSA-N 1 1 419.486 -0.265 20 5 HBBDMO Cc1nc(N2CC[N@H+]3CCOC[C@H]3C2)nc(N2CCN3CCOC[C@H]3C2)c1[N+](=O)[O-] ZINC000544411435 1072011273 /nfs/dbraw/zinc/01/12/73/1072011273.db2.gz FWHGBKQHVIGVRH-HZPDHXFCSA-N 1 1 419.486 -0.265 20 5 HBBDMO Cc1nc(N2CC[N@@H+]3CCOC[C@H]3C2)nc(N2CCN3CCOC[C@H]3C2)c1[N+](=O)[O-] ZINC000544411435 1072011261 /nfs/dbraw/zinc/01/12/61/1072011261.db2.gz FWHGBKQHVIGVRH-HZPDHXFCSA-N 1 1 419.486 -0.265 20 5 HBBDMO Cc1nc(N2CC[N@H+]3CCOC[C@H]3C2)nc(N2CCN3CCOC[C@@H]3C2)c1[N+](=O)[O-] ZINC000544411436 1072011494 /nfs/dbraw/zinc/01/14/94/1072011494.db2.gz FWHGBKQHVIGVRH-JKSUJKDBSA-N 1 1 419.486 -0.265 20 5 HBBDMO Cc1nc(N2CC[N@@H+]3CCOC[C@H]3C2)nc(N2CCN3CCOC[C@@H]3C2)c1[N+](=O)[O-] ZINC000544411436 1072011483 /nfs/dbraw/zinc/01/14/83/1072011483.db2.gz FWHGBKQHVIGVRH-JKSUJKDBSA-N 1 1 419.486 -0.265 20 5 HBBDMO NC(=O)C1([NH2+]CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000544443144 1072013317 /nfs/dbraw/zinc/01/33/17/1072013317.db2.gz ZTRZBPWKFFMRRE-UHFFFAOYSA-N 1 1 411.440 -0.965 20 5 HBBDMO CN(C(=O)c1cc([N+](=O)[O-])cnc1N)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000546088043 1070125783 /nfs/dbraw/zinc/12/57/83/1070125783.db2.gz VVGNQHKKGIDUIJ-UHFFFAOYSA-N 1 1 419.486 -0.118 20 5 HBBDMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CC(O)C1 ZINC000546094686 1072121967 /nfs/dbraw/zinc/12/19/67/1072121967.db2.gz QPISEGLHOWHYBK-UHFFFAOYSA-N 1 1 412.468 -0.117 20 5 HBBDMO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CC(O)C1 ZINC000546094686 1072121963 /nfs/dbraw/zinc/12/19/63/1072121963.db2.gz QPISEGLHOWHYBK-UHFFFAOYSA-N 1 1 412.468 -0.117 20 5 HBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000547277058 1069177903 /nfs/dbraw/zinc/17/79/03/1069177903.db2.gz ZGISOGGCRYTMNO-NVXWUHKLSA-N 1 1 412.468 -0.069 20 5 HBBDMO C[NH+](C)CCN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000548107457 1068410353 /nfs/dbraw/zinc/41/03/53/1068410353.db2.gz XNKSCDKPBBBZIA-HNNXBMFYSA-N 1 1 412.468 -0.098 20 5 HBBDMO C[NH+](C)CCN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000548107458 1068410277 /nfs/dbraw/zinc/41/02/77/1068410277.db2.gz XNKSCDKPBBBZIA-OAHLLOKOSA-N 1 1 412.468 -0.098 20 5 HBBDMO CCc1n[nH]c(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000549445195 1069084849 /nfs/dbraw/zinc/08/48/49/1069084849.db2.gz LFHPSQRSKMPCJD-UHFFFAOYSA-N 1 1 415.476 -0.870 20 5 HBBDMO CCn1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c([N+](=O)[O-])n1 ZINC000549520303 1069192158 /nfs/dbraw/zinc/19/21/58/1069192158.db2.gz NORWASXMKZNELO-GFCCVEGCSA-N 1 1 400.461 -0.262 20 5 HBBDMO CCn1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c([N+](=O)[O-])n1 ZINC000549520322 1069192183 /nfs/dbraw/zinc/19/21/83/1069192183.db2.gz NORWASXMKZNELO-LBPRGKRZSA-N 1 1 400.461 -0.262 20 5 HBBDMO COc1cc(CCNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])cc1OC ZINC000550630913 1069401625 /nfs/dbraw/zinc/40/16/25/1069401625.db2.gz YNMOQWIDVQIGRS-AWEZNQCLSA-N 1 1 423.470 -0.367 20 5 HBBDMO COc1cc(CCNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])cc1OC ZINC000550630914 1069401654 /nfs/dbraw/zinc/40/16/54/1069401654.db2.gz YNMOQWIDVQIGRS-CQSZACIVSA-N 1 1 423.470 -0.367 20 5 HBBDMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000551190233 1069516654 /nfs/dbraw/zinc/51/66/54/1069516654.db2.gz CECPQASRKWHHBL-UHFFFAOYSA-N 1 1 403.439 -0.194 20 5 HBBDMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000551322695 1069536354 /nfs/dbraw/zinc/53/63/54/1069536354.db2.gz LRCWKYMTKNVESA-UHFFFAOYSA-N 1 1 408.459 -0.277 20 5 HBBDMO C[C@@H](CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)CN1CC[NH+](C)CC1 ZINC000551482101 1069551172 /nfs/dbraw/zinc/55/11/72/1069551172.db2.gz FCZRCLZVXRBPPE-HNNXBMFYSA-N 1 1 421.502 -0.046 20 5 HBBDMO C[C@H](CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)CN1CC[NH+](C)CC1 ZINC000551482104 1069551061 /nfs/dbraw/zinc/55/10/61/1069551061.db2.gz FCZRCLZVXRBPPE-OAHLLOKOSA-N 1 1 421.502 -0.046 20 5 HBBDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000553393900 1069954440 /nfs/dbraw/zinc/95/44/40/1069954440.db2.gz BEMCVHGZOYXHDI-AWEZNQCLSA-N 1 1 406.443 -0.525 20 5 HBBDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000553393901 1069954572 /nfs/dbraw/zinc/95/45/72/1069954572.db2.gz BEMCVHGZOYXHDI-CQSZACIVSA-N 1 1 406.443 -0.525 20 5 HBBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000554040321 1069168754 /nfs/dbraw/zinc/16/87/54/1069168754.db2.gz LCMAZIMKGWTXCL-HNNXBMFYSA-N 1 1 404.471 -0.395 20 5 HBBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000554040322 1069168842 /nfs/dbraw/zinc/16/88/42/1069168842.db2.gz LCMAZIMKGWTXCL-OAHLLOKOSA-N 1 1 404.471 -0.395 20 5 HBBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000554043080 1069168791 /nfs/dbraw/zinc/16/87/91/1069168791.db2.gz IWMHAEVLVCBWFB-KRWDZBQOSA-N 1 1 404.471 -0.395 20 5 HBBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000554043081 1070026233 /nfs/dbraw/zinc/02/62/33/1070026233.db2.gz IWMHAEVLVCBWFB-QGZVFWFLSA-N 1 1 404.471 -0.395 20 5 HBBDMO Cc1c(-c2nc(CC(=O)N3CC[NH+](C)CC3)no2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000554819285 1069182991 /nfs/dbraw/zinc/18/29/91/1069182991.db2.gz WLUOFPMGYLWIIP-UHFFFAOYSA-N 1 1 424.439 -0.083 20 5 HBBDMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC(O)C1 ZINC000554993123 1070150128 /nfs/dbraw/zinc/15/01/28/1070150128.db2.gz VETZYSIZEQTQSR-UHFFFAOYSA-N 1 1 412.468 -0.117 20 5 HBBDMO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC(O)C1 ZINC000554993123 1070150126 /nfs/dbraw/zinc/15/01/26/1070150126.db2.gz VETZYSIZEQTQSR-UHFFFAOYSA-N 1 1 412.468 -0.117 20 5 HBBDMO O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000555617603 1069383625 /nfs/dbraw/zinc/38/36/25/1069383625.db2.gz JILHXEKGSVIYHN-UHFFFAOYSA-N 1 1 406.443 -0.523 20 5 HBBDMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000556102407 1071877037 /nfs/dbraw/zinc/87/70/37/1071877037.db2.gz DISRGUXUVQCJFU-UHFFFAOYSA-N 1 1 421.458 -0.765 20 5 HBBDMO 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HRIJRWSNMHSGKM-DARAHFNDSA-N 1 1 424.479 -0.119 20 5 HBBDMO C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H](O)CN3S(=O)(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590442890 1070811183 /nfs/dbraw/zinc/81/11/83/1070811183.db2.gz HRIJRWSNMHSGKM-LQKXBSAESA-N 1 1 424.479 -0.119 20 5 HBBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000590442893 1070811980 /nfs/dbraw/zinc/81/19/80/1070811980.db2.gz HRIJRWSNMHSGKM-SDADXPQNSA-N 1 1 424.479 -0.119 20 5 HBBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000590442895 1070811659 /nfs/dbraw/zinc/81/16/59/1070811659.db2.gz HRIJRWSNMHSGKM-XRGAULLZSA-N 1 1 424.479 -0.119 20 5 HBBDMO CC[NH+]1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000591885705 1070883656 /nfs/dbraw/zinc/88/36/56/1070883656.db2.gz KZLBYHAENHDIRR-HIFRSBDPSA-N 1 1 412.468 -0.117 20 5 HBBDMO CC[NH+]1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000591885706 1070883820 /nfs/dbraw/zinc/88/38/20/1070883820.db2.gz KZLBYHAENHDIRR-ZFWWWQNUSA-N 1 1 412.468 -0.117 20 5 HBBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000603820286 1071005970 /nfs/dbraw/zinc/00/59/70/1071005970.db2.gz YRSCPONQSDHLEU-UHFFFAOYSA-N 1 1 403.395 -0.577 20 5 HBBDMO O=C(C[N@H+](CCO)C1CC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000603880875 1071008650 /nfs/dbraw/zinc/00/86/50/1071008650.db2.gz NUBRROAFIBBUOF-UHFFFAOYSA-N 1 1 412.468 -0.116 20 5 HBBDMO O=C(C[N@@H+](CCO)C1CC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000603880875 1071008631 /nfs/dbraw/zinc/00/86/31/1071008631.db2.gz NUBRROAFIBBUOF-UHFFFAOYSA-N 1 1 412.468 -0.116 20 5 HBBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000603896265 1071008952 /nfs/dbraw/zinc/00/89/52/1071008952.db2.gz DNWLOSZMEYLEML-UHFFFAOYSA-N 1 1 401.427 -0.125 20 5 HBBDMO O=C(C[N@@H+]1CCC[C@@H](O)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000608903199 1071187374 /nfs/dbraw/zinc/18/73/74/1071187374.db2.gz IRFOORKLZCKASF-OAHLLOKOSA-N 1 1 412.468 -0.116 20 5 HBBDMO O=C(C[N@@H+]1CCC[C@@H](O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000608903277 1071187457 /nfs/dbraw/zinc/18/74/57/1071187457.db2.gz PFFUHZLGMUTHEO-OAHLLOKOSA-N 1 1 412.468 -0.116 20 5 HBBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000609170989 1071596123 /nfs/dbraw/zinc/59/61/23/1071596123.db2.gz BQDWUIONGBTWID-GFCCVEGCSA-N 1 1 417.422 -0.106 20 5 HBBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000609170990 1071596166 /nfs/dbraw/zinc/59/61/66/1071596166.db2.gz BQDWUIONGBTWID-LBPRGKRZSA-N 1 1 417.422 -0.106 20 5 HBBDMO COCC[N@H+]1CC[C@@H](NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000609347648 1072059145 /nfs/dbraw/zinc/05/91/45/1072059145.db2.gz XLNLXUXNFFVDSK-GFCCVEGCSA-N 1 1 415.472 -0.119 20 5 HBBDMO COCC[N@H+]1CC[C@H](NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000609347651 1072059183 /nfs/dbraw/zinc/05/91/83/1072059183.db2.gz XLNLXUXNFFVDSK-LBPRGKRZSA-N 1 1 415.472 -0.119 20 5 HBBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000609351480 1072059776 /nfs/dbraw/zinc/05/97/76/1072059776.db2.gz ICMMTGRPJSSGHS-CYBMUJFWSA-N 1 1 403.395 -0.353 20 5 HBBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000609351481 1072059799 /nfs/dbraw/zinc/05/97/99/1072059799.db2.gz ICMMTGRPJSSGHS-ZDUSSCGKSA-N 1 1 403.395 -0.353 20 5 HBBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000609352189 1072059299 /nfs/dbraw/zinc/05/92/99/1072059299.db2.gz OWNRKZKVXVVSFN-HNNXBMFYSA-N 1 1 406.443 -0.150 20 5 HBBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000609352194 1072059320 /nfs/dbraw/zinc/05/93/20/1072059320.db2.gz OWNRKZKVXVVSFN-OAHLLOKOSA-N 1 1 406.443 -0.150 20 5 HBBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609530712 1072066074 /nfs/dbraw/zinc/06/60/74/1072066074.db2.gz YNRJIPDMORLUET-GFCCVEGCSA-N 1 1 414.488 -0.594 20 5 HBBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609530722 1072066526 /nfs/dbraw/zinc/06/65/26/1072066526.db2.gz YNRJIPDMORLUET-LBPRGKRZSA-N 1 1 414.488 -0.594 20 5 HBBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000609681433 1072071856 /nfs/dbraw/zinc/07/18/56/1072071856.db2.gz JNKBJYBOXBUCEP-INIZCTEOSA-N 1 1 405.455 -0.153 20 5 HBBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000609681434 1072071811 /nfs/dbraw/zinc/07/18/11/1072071811.db2.gz JNKBJYBOXBUCEP-MRXNPFEDSA-N 1 1 405.455 -0.153 20 5 HBBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609742356 1072072942 /nfs/dbraw/zinc/07/29/42/1072072942.db2.gz FGEJLTMEBZTTHJ-CYBMUJFWSA-N 1 1 414.488 -0.582 20 5 HBBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609742357 1072072821 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/nfs/dbraw/zinc/56/73/73/1068567373.db2.gz HKCOGOLRXVFXCY-UHFFFAOYSA-N 1 1 411.484 -0.325 20 5 HBBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000610781308 1068587067 /nfs/dbraw/zinc/58/70/67/1068587067.db2.gz GNTJPXIPVNZQTE-UHFFFAOYSA-N 1 1 405.411 -0.447 20 5 HBBDMO C[C@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000610899815 1068603066 /nfs/dbraw/zinc/60/30/66/1068603066.db2.gz OYVIZHUWUKHRKG-GXTWGEPZSA-N 1 1 415.472 -0.109 20 5 HBBDMO C[C@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000610899815 1068603060 /nfs/dbraw/zinc/60/30/60/1068603060.db2.gz OYVIZHUWUKHRKG-GXTWGEPZSA-N 1 1 415.472 -0.109 20 5 HBBDMO C[C@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000610899816 1068603013 /nfs/dbraw/zinc/60/30/13/1068603013.db2.gz OYVIZHUWUKHRKG-JSGCOSHPSA-N 1 1 415.472 -0.109 20 5 HBBDMO C[C@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000610899816 1068603009 /nfs/dbraw/zinc/60/30/09/1068603009.db2.gz OYVIZHUWUKHRKG-JSGCOSHPSA-N 1 1 415.472 -0.109 20 5 HBBDMO C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000610899817 1068603092 /nfs/dbraw/zinc/60/30/92/1068603092.db2.gz OYVIZHUWUKHRKG-OCCSQVGLSA-N 1 1 415.472 -0.109 20 5 HBBDMO C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000610899817 1068603091 /nfs/dbraw/zinc/60/30/91/1068603091.db2.gz OYVIZHUWUKHRKG-OCCSQVGLSA-N 1 1 415.472 -0.109 20 5 HBBDMO C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000610899818 1068603052 /nfs/dbraw/zinc/60/30/52/1068603052.db2.gz OYVIZHUWUKHRKG-TZMCWYRMSA-N 1 1 415.472 -0.109 20 5 HBBDMO C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000610899818 1068603047 /nfs/dbraw/zinc/60/30/47/1068603047.db2.gz OYVIZHUWUKHRKG-TZMCWYRMSA-N 1 1 415.472 -0.109 20 5 HBBDMO C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610899852 1068603087 /nfs/dbraw/zinc/60/30/87/1068603087.db2.gz RXDPNVIIEGLAGH-DOMZBBRYSA-N 1 1 415.472 -0.109 20 5 HBBDMO C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000610899852 1068603085 /nfs/dbraw/zinc/60/30/85/1068603085.db2.gz RXDPNVIIEGLAGH-DOMZBBRYSA-N 1 1 415.472 -0.109 20 5 HBBDMO C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000610899853 1068603002 /nfs/dbraw/zinc/60/30/02/1068603002.db2.gz RXDPNVIIEGLAGH-IUODEOHRSA-N 1 1 415.472 -0.109 20 5 HBBDMO C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000610899853 1068603000 /nfs/dbraw/zinc/60/30/00/1068603000.db2.gz RXDPNVIIEGLAGH-IUODEOHRSA-N 1 1 415.472 -0.109 20 5 HBBDMO C[C@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000610899854 1068602987 /nfs/dbraw/zinc/60/29/87/1068602987.db2.gz RXDPNVIIEGLAGH-SWLSCSKDSA-N 1 1 415.472 -0.109 20 5 HBBDMO C[C@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000610899854 1068602980 /nfs/dbraw/zinc/60/29/80/1068602980.db2.gz RXDPNVIIEGLAGH-SWLSCSKDSA-N 1 1 415.472 -0.109 20 5 HBBDMO C[C@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610899855 1068603104 /nfs/dbraw/zinc/60/31/04/1068603104.db2.gz RXDPNVIIEGLAGH-WFASDCNBSA-N 1 1 415.472 -0.109 20 5 HBBDMO C[C@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000610899855 1068603102 /nfs/dbraw/zinc/60/31/02/1068603102.db2.gz RXDPNVIIEGLAGH-WFASDCNBSA-N 1 1 415.472 -0.109 20 5 HBBDMO C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610899869 1068603124 /nfs/dbraw/zinc/60/31/24/1068603124.db2.gz SNRMKBBPGRHGHT-DOMZBBRYSA-N 1 1 415.472 -0.109 20 5 HBBDMO C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000610899869 1068603121 /nfs/dbraw/zinc/60/31/21/1068603121.db2.gz SNRMKBBPGRHGHT-DOMZBBRYSA-N 1 1 415.472 -0.109 20 5 HBBDMO C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000610899870 1068603114 /nfs/dbraw/zinc/60/31/14/1068603114.db2.gz SNRMKBBPGRHGHT-IUODEOHRSA-N 1 1 415.472 -0.109 20 5 HBBDMO C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCO1 ZINC000610899870 1068603112 /nfs/dbraw/zinc/60/31/12/1068603112.db2.gz SNRMKBBPGRHGHT-IUODEOHRSA-N 1 1 415.472 -0.109 20 5 HBBDMO C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000610899871 1068603074 /nfs/dbraw/zinc/60/30/74/1068603074.db2.gz SNRMKBBPGRHGHT-SWLSCSKDSA-N 1 1 415.472 -0.109 20 5 HBBDMO C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCO1 ZINC000610899871 1068603073 /nfs/dbraw/zinc/60/30/73/1068603073.db2.gz SNRMKBBPGRHGHT-SWLSCSKDSA-N 1 1 415.472 -0.109 20 5 HBBDMO C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610899872 1068603039 /nfs/dbraw/zinc/60/30/39/1068603039.db2.gz SNRMKBBPGRHGHT-WFASDCNBSA-N 1 1 415.472 -0.109 20 5 HBBDMO C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000610899872 1068603037 /nfs/dbraw/zinc/60/30/37/1068603037.db2.gz SNRMKBBPGRHGHT-WFASDCNBSA-N 1 1 415.472 -0.109 20 5 HBBDMO C[C@@H](NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000610900637 1068602213 /nfs/dbraw/zinc/60/22/13/1068602213.db2.gz DXUOJHNBELBDBE-ABAIWWIYSA-N 1 1 415.472 -0.121 20 5 HBBDMO C[C@@H](NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000610900637 1068602208 /nfs/dbraw/zinc/60/22/08/1068602208.db2.gz DXUOJHNBELBDBE-ABAIWWIYSA-N 1 1 415.472 -0.121 20 5 HBBDMO C[C@@H](NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000610900638 1068602334 /nfs/dbraw/zinc/60/23/34/1068602334.db2.gz DXUOJHNBELBDBE-IAQYHMDHSA-N 1 1 415.472 -0.121 20 5 HBBDMO C[C@@H](NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000610900638 1068602326 /nfs/dbraw/zinc/60/23/26/1068602326.db2.gz DXUOJHNBELBDBE-IAQYHMDHSA-N 1 1 415.472 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400.461 -0.086 20 5 HBBDMO CCn1cc(S(=O)(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])n1 ZINC000610939661 1068541418 /nfs/dbraw/zinc/54/14/18/1068541418.db2.gz ANAVSBZXHLMYBW-GFCCVEGCSA-N 1 1 400.461 -0.086 20 5 HBBDMO CCn1cc(S(=O)(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])n1 ZINC000610939662 1068540903 /nfs/dbraw/zinc/54/09/03/1068540903.db2.gz ANAVSBZXHLMYBW-LBPRGKRZSA-N 1 1 400.461 -0.086 20 5 HBBDMO CCn1cc(S(=O)(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])n1 ZINC000610939662 1068540898 /nfs/dbraw/zinc/54/08/98/1068540898.db2.gz ANAVSBZXHLMYBW-LBPRGKRZSA-N 1 1 400.461 -0.086 20 5 HBBDMO CCn1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])n1 ZINC000611105317 1069705275 /nfs/dbraw/zinc/70/52/75/1069705275.db2.gz WHBXONWMYAYMFY-GFCCVEGCSA-N 1 1 400.461 -0.262 20 5 HBBDMO CCn1cc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])n1 ZINC000611105318 1069705519 /nfs/dbraw/zinc/70/55/19/1069705519.db2.gz WHBXONWMYAYMFY-LBPRGKRZSA-N 1 1 400.461 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DXWMZMZCUGRFGE-NFAWXSAZSA-N 1 1 412.468 -0.213 20 5 HBBDMO C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000611635433 1068705559 /nfs/dbraw/zinc/70/55/59/1068705559.db2.gz DXWMZMZCUGRFGE-YDHLFZDLSA-N 1 1 412.468 -0.213 20 5 HBBDMO C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611641370 1068707155 /nfs/dbraw/zinc/70/71/55/1068707155.db2.gz BCPNPPCFRMRLNV-GUTXKFCHSA-N 1 1 412.468 -0.071 20 5 HBBDMO C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611641371 1068707354 /nfs/dbraw/zinc/70/73/54/1068707354.db2.gz BCPNPPCFRMRLNV-IPYPFGDCSA-N 1 1 412.468 -0.071 20 5 HBBDMO C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611641372 1068707265 /nfs/dbraw/zinc/70/72/65/1068707265.db2.gz BCPNPPCFRMRLNV-NFAWXSAZSA-N 1 1 412.468 -0.071 20 5 HBBDMO C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611641373 1068707056 /nfs/dbraw/zinc/70/70/56/1068707056.db2.gz BCPNPPCFRMRLNV-YDHLFZDLSA-N 1 1 412.468 -0.071 20 5 HBBDMO C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000611643459 1068707903 /nfs/dbraw/zinc/70/79/03/1068707903.db2.gz PEJPDOMBWHDPNL-GUTXKFCHSA-N 1 1 412.468 -0.071 20 5 HBBDMO C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000611643461 1068707925 /nfs/dbraw/zinc/70/79/25/1068707925.db2.gz PEJPDOMBWHDPNL-IPYPFGDCSA-N 1 1 412.468 -0.071 20 5 HBBDMO C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000611643462 1068707827 /nfs/dbraw/zinc/70/78/27/1068707827.db2.gz PEJPDOMBWHDPNL-NFAWXSAZSA-N 1 1 412.468 -0.071 20 5 HBBDMO C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000611643463 1068707672 /nfs/dbraw/zinc/70/76/72/1068707672.db2.gz PEJPDOMBWHDPNL-YDHLFZDLSA-N 1 1 412.468 -0.071 20 5 HBBDMO NS(=O)(=O)c1ccc(NCCC(=O)N2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000612605490 1068952039 /nfs/dbraw/zinc/95/20/39/1068952039.db2.gz OCWKGMCKJRQCMY-UHFFFAOYSA-N 1 1 401.445 -0.819 20 5 HBBDMO NS(=O)(=O)c1ccccc1N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000615456570 1072093152 /nfs/dbraw/zinc/09/31/52/1072093152.db2.gz LLTDWJMYLBAXFM-AWEZNQCLSA-N 1 1 410.456 -0.378 20 5 HBBDMO NS(=O)(=O)c1ccccc1N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000615456578 1072093078 /nfs/dbraw/zinc/09/30/78/1072093078.db2.gz LLTDWJMYLBAXFM-CQSZACIVSA-N 1 1 410.456 -0.378 20 5 HBBDMO CN(CC(=O)NC1CC[NH+](CC(N)=O)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000737778752 1069972644 /nfs/dbraw/zinc/97/26/44/1069972644.db2.gz QALUWVYFGQBREY-UHFFFAOYSA-N 1 1 413.456 -0.719 20 5 HBBDMO NS(=O)(=O)C1CC[NH+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000761022001 1070911902 /nfs/dbraw/zinc/91/19/02/1070911902.db2.gz GRQBSADUDJLOLW-UHFFFAOYSA-N 1 1 411.484 -0.004 20 5 HBBDMO O=C(C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000789379441 1070437186 /nfs/dbraw/zinc/43/71/86/1070437186.db2.gz PQVUDHKAZDOHOT-IBGZPJMESA-N 1 1 416.438 -0.083 20 5 HBBDMO O=C(C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000789379452 1070437212 /nfs/dbraw/zinc/43/72/12/1070437212.db2.gz PQVUDHKAZDOHOT-LJQANCHMSA-N 1 1 416.438 -0.083 20 5 HBBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000806057142 1071067220 /nfs/dbraw/zinc/06/72/20/1071067220.db2.gz WDUWOMAWCJVDSJ-KRWDZBQOSA-N 1 1 404.471 -0.395 20 5 HBBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000806057143 1071067418 /nfs/dbraw/zinc/06/74/18/1071067418.db2.gz WDUWOMAWCJVDSJ-QGZVFWFLSA-N 1 1 404.471 -0.395 20 5 HBBDMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915882427 1071745099 /nfs/dbraw/zinc/74/50/99/1071745099.db2.gz PMOOWNZYZMDSIA-DOTOQJQBSA-N 1 1 409.443 -0.501 20 5 HBBDMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915882428 1071745277 /nfs/dbraw/zinc/74/52/77/1071745277.db2.gz PMOOWNZYZMDSIA-NVXWUHKLSA-N 1 1 409.443 -0.501 20 5 HBBDMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915882429 1071745124 /nfs/dbraw/zinc/74/51/24/1071745124.db2.gz PMOOWNZYZMDSIA-RDJZCZTQSA-N 1 1 409.443 -0.501 20 5 HBBDMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915882430 1071745135 /nfs/dbraw/zinc/74/51/35/1071745135.db2.gz PMOOWNZYZMDSIA-WBVHZDCISA-N 1 1 409.443 -0.501 20 5 HBBDMO C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915882758 1071745184 /nfs/dbraw/zinc/74/51/84/1071745184.db2.gz LWFDRPGGFIBFSD-DOTOQJQBSA-N 1 1 409.443 -0.548 20 5 HBBDMO C[NH+]1CCN(C(=O)CCNC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915882759 1071745091 /nfs/dbraw/zinc/74/50/91/1071745091.db2.gz LWFDRPGGFIBFSD-NVXWUHKLSA-N 1 1 409.443 -0.548 20 5 HBBDMO C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915882760 1071745211 /nfs/dbraw/zinc/74/52/11/1071745211.db2.gz LWFDRPGGFIBFSD-RDJZCZTQSA-N 1 1 409.443 -0.548 20 5 HBBDMO C[NH+]1CCN(C(=O)CCNC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915882761 1071745107 /nfs/dbraw/zinc/74/51/07/1071745107.db2.gz LWFDRPGGFIBFSD-WBVHZDCISA-N 1 1 409.443 -0.548 20 5 HBBDMO NC(=O)C[NH+]1CCC(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000920341998 1072038198 /nfs/dbraw/zinc/03/81/98/1072038198.db2.gz LPGURPGCIUTLGX-UHFFFAOYSA-N 1 1 413.456 -0.671 20 5 HBBDMO NC(=O)C[NH+]1CCC(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000920433014 1072043710 /nfs/dbraw/zinc/04/37/10/1072043710.db2.gz IZKCWYXVGAKNAQ-UHFFFAOYSA-N 1 1 413.456 -0.671 20 5 HBBDMO C[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC001144209423 1071041483 /nfs/dbraw/zinc/04/14/83/1071041483.db2.gz GMDMYJJMOSQACR-AWEZNQCLSA-N 1 1 413.500 -0.127 20 5 HBBDMO C[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC001144209424 1071041520 /nfs/dbraw/zinc/04/15/20/1071041520.db2.gz GMDMYJJMOSQACR-CQSZACIVSA-N 1 1 413.500 -0.127 20 5 HBBDMO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001148300696 1071137535 /nfs/dbraw/zinc/13/75/35/1071137535.db2.gz IKKHDERTSKAWIK-UHFFFAOYSA-N 1 1 406.395 -0.115 20 5 HBBDMO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001148300696 1071137532 /nfs/dbraw/zinc/13/75/32/1071137532.db2.gz IKKHDERTSKAWIK-UHFFFAOYSA-N 1 1 406.395 -0.115 20 5 HBBDMO C[C@H]1[C@@H](O)CC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001170323609 1070513800 /nfs/dbraw/zinc/51/38/00/1070513800.db2.gz GMHXCCZGMNBIPN-BBRMVZONSA-N 1 1 412.468 -0.117 20 5 HBBDMO CCOc1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c([N+](=O)[O-])c1 ZINC001171261896 1071071487 /nfs/dbraw/zinc/07/14/87/1071071487.db2.gz DWBLRZLQTWIJTB-BPGGGUHBSA-N 1 1 408.371 -0.899 20 5 HBBDMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc4c(n3)[nH]cc4[N+](=O)[O-])nc2=O)O[C@H](CO)[C@H]1O ZINC001171261973 1071071065 /nfs/dbraw/zinc/07/10/65/1071071065.db2.gz XTRQNXXSCLHJAB-QGMIFYJMSA-N 1 1 403.355 -0.651 20 5 HBBDMO CC(C)(C)c1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c([N+](=O)[O-])c1 ZINC001171262063 1071071176 /nfs/dbraw/zinc/07/11/76/1071071176.db2.gz HGHFNFBPNVQKBL-XKVFNRALSA-N 1 1 420.426 0.000 20 5 HBBDMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc4cc[nH]c4c([N+](=O)[O-])c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262270 1071072849 /nfs/dbraw/zinc/07/28/49/1071072849.db2.gz CCDHRDSURJAOHS-UIBBOPPKSA-N 1 1 402.367 -0.212 20 5 HBBDMO Cc1c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001171262642 1071073355 /nfs/dbraw/zinc/07/33/55/1071073355.db2.gz GMYYTNUAVYDWOU-PZTHBURQSA-N 1 1 422.354 -0.476 20 5 HBBDMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4sc([N+](=O)[O-])cc43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263042 1071075115 /nfs/dbraw/zinc/07/51/15/1071075115.db2.gz KYQBQJUXTIJFMO-FRJWGUMJSA-N 1 1 421.395 -0.688 20 5 HBBDMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc4c(cc3[N+](=O)[O-])CCCC4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263099 1071075966 /nfs/dbraw/zinc/07/59/66/1071075966.db2.gz VIWLWMHOSSVKPS-DNNBLBMLSA-N 1 1 418.410 -0.419 20 5 HBBDMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc([N+](=O)[O-])c4cnccc34)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263873 1071076550 /nfs/dbraw/zinc/07/65/50/1071076550.db2.gz VSRBBFNYBQLQIA-MWQQHZPXSA-N 1 1 414.378 -0.145 20 5 HBBDMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncc4cccc([N+](=O)[O-])c4n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264035 1071077629 /nfs/dbraw/zinc/07/76/29/1071077629.db2.gz ZYDYBWLGOFEYCK-PZTHBURQSA-N 1 1 415.366 -0.750 20 5 HBBDMO COc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc([N+](=O)[O-])c1C ZINC001171264366 1071078054 /nfs/dbraw/zinc/07/80/54/1071078054.db2.gz BQEZQYNSCGGMIW-DTZQCDIJSA-N 1 1 407.383 -0.376 20 5 HBBDMO COc1nc(C)c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1[N+](=O)[O-] ZINC001171264438 1071077218 /nfs/dbraw/zinc/07/72/18/1071077218.db2.gz GNYLMHPALRMKPX-BPGGGUHBSA-N 1 1 408.371 -0.981 20 5 HBBDMO COC(=O)c1ccc([N+](=O)[O-])cc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171264459 1071077593 /nfs/dbraw/zinc/07/75/93/1071077593.db2.gz HCUDOYBWUKSMGP-NMFUWQPSSA-N 1 1 421.366 -0.906 20 5 HBBDMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc4cccnc4c([N+](=O)[O-])c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264516 1071077534 /nfs/dbraw/zinc/07/75/34/1071077534.db2.gz KIOFQQHVIHEJBK-ODVANORSSA-N 1 1 414.378 -0.145 20 5 HBBDMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc4ncccc4c3[N+](=O)[O-])nc2=O)O[C@H](CO)[C@H]1O ZINC001171264554 1071077565 /nfs/dbraw/zinc/07/75/65/1071077565.db2.gz LQTZKQXIBUKKBT-ODVANORSSA-N 1 1 414.378 -0.145 20 5 HBBDMO CN(C)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c([N+](=O)[O-])c1 ZINC001171264660 1071078283 /nfs/dbraw/zinc/07/82/83/1071078283.db2.gz QMHIJVFQFUOEGH-DTZQCDIJSA-N 1 1 406.399 -0.627 20 5 HBBDMO COc1c(F)cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1[N+](=O)[O-] ZINC001171264688 1071078490 /nfs/dbraw/zinc/07/84/90/1071078490.db2.gz RQJFCTCHVKYALW-BPGGGUHBSA-N 1 1 411.346 -0.545 20 5 HBBDMO COC(=O)c1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc([N+](=O)[O-])c1 ZINC001171264753 1071078820 /nfs/dbraw/zinc/07/88/20/1071078820.db2.gz VKXNXBYZHVEXFT-NMFUWQPSSA-N 1 1 421.366 -0.906 20 5 HBBDMO CCOc1cc([N+](=O)[O-])ccc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171264787 1071079109 /nfs/dbraw/zinc/07/91/09/1071079109.db2.gz XBRAGPMHXAAOPF-DTZQCDIJSA-N 1 1 407.383 -0.294 20 5 HBBDMO CC(=O)Nc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1[N+](=O)[O-] ZINC001171264791 1071078745 /nfs/dbraw/zinc/07/87/45/1071078745.db2.gz XGUNNVOSCIWTJQ-DTZQCDIJSA-N 1 1 420.382 -0.734 20 5 HBBDMO COc1cc(C)c([N+](=O)[O-])cc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171264806 1071079081 /nfs/dbraw/zinc/07/90/81/1071079081.db2.gz YCGVVJIQYAROES-DTZQCDIJSA-N 1 1 407.383 -0.376 20 5 HBBDMO COc1cc([N+](=O)[O-])c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1F ZINC001171264813 1071078767 /nfs/dbraw/zinc/07/87/67/1071078767.db2.gz YIYBSACHSTXHAC-NMFUWQPSSA-N 1 1 411.346 -0.379 20 5 HBBDMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc4nc[nH]c4c3[N+](=O)[O-])nc2=O)O[C@H](CO)[C@H]1O ZINC001171264836 1071078882 /nfs/dbraw/zinc/07/88/82/1071078882.db2.gz ZLSBIVPCTRVRGK-NZQZLILVSA-N 1 1 403.355 -0.817 20 5 HBBDMO CN1Cc2cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc([N+](=O)[O-])c2N1 ZINC001171267027 1071081624 /nfs/dbraw/zinc/08/16/24/1071081624.db2.gz UDBSMBWLOPDZQU-UIBBOPPKSA-N 1 1 419.398 -0.921 20 5 HBBDMO CCOc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ccc1[N+](=O)[O-] ZINC001171267257 1071081430 /nfs/dbraw/zinc/08/14/30/1071081430.db2.gz VOKODYABRPYIFX-DTZQCDIJSA-N 1 1 407.383 -0.294 20 5 HBBDMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccnc4c3cccc4[N+](=O)[O-])nc2=O)O[C@H](CO)[C@H]1O ZINC001171267278 1071081525 /nfs/dbraw/zinc/08/15/25/1071081525.db2.gz WFJZACNCTQQZBP-ODVANORSSA-N 1 1 414.378 -0.145 20 5 HBBDMO COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171267447 1071080469 /nfs/dbraw/zinc/08/04/69/1071080469.db2.gz ZNRSLCYDBOLZST-NMFUWQPSSA-N 1 1 421.366 -0.906 20 5 HBBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001173220025 1071184122 /nfs/dbraw/zinc/18/41/22/1071184122.db2.gz RTTGPPSPWJJKTG-LLUBIPCPSA-N 1 1 405.411 -0.393 20 5 HBBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001173220026 1071184038 /nfs/dbraw/zinc/18/40/38/1071184038.db2.gz RTTGPPSPWJJKTG-PHJVOLQISA-N 1 1 405.411 -0.393 20 5 HBBDMO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001176533031 1071228031 /nfs/dbraw/zinc/22/80/31/1071228031.db2.gz DENUSYOMSXPUNU-LSDHHAIUSA-N 1 1 412.468 -0.069 20 5 HBBDMO CN1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)CC1 ZINC001178973859 1071305327 /nfs/dbraw/zinc/30/53/27/1071305327.db2.gz BJLZUMWWSMLIEZ-UHFFFAOYSA-N 1 1 413.500 -0.031 20 5 HBBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001186931901 1071581309 /nfs/dbraw/zinc/58/13/09/1071581309.db2.gz ZQUSIDQXIJUWPD-CQSZACIVSA-N 1 1 412.468 -0.129 20 5 HBBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001186931901 1071581306 /nfs/dbraw/zinc/58/13/06/1071581306.db2.gz ZQUSIDQXIJUWPD-CQSZACIVSA-N 1 1 412.468 -0.129 20 5 HBBDMO C[C@H]1[C@@H](O)CC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001194385649 1071701828 /nfs/dbraw/zinc/70/18/28/1071701828.db2.gz RVRUDQSMLNWGGZ-BBRMVZONSA-N 1 1 412.468 -0.117 20 5 HBBDMO O=C(C[N@H+]1CC[C@@]2(O)C[C@H]2C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001196142650 1071734134 /nfs/dbraw/zinc/73/41/34/1071734134.db2.gz PPKDMESOTLWQCW-KBXCAEBGSA-N 1 1 424.479 -0.116 20 5 HBBDMO C[C@@](Cn1cccn1)([NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(N)=O ZINC001198572370 1071764863 /nfs/dbraw/zinc/76/48/63/1071764863.db2.gz GAEVZNGMCVJXPK-IBGZPJMESA-N 1 1 415.454 -0.026 20 5 HBBDMO C[C@](Cn1cccn1)([NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(N)=O ZINC001198572371 1071764950 /nfs/dbraw/zinc/76/49/50/1071764950.db2.gz GAEVZNGMCVJXPK-LJQANCHMSA-N 1 1 415.454 -0.026 20 5 HBBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001299280789 1069383489 /nfs/dbraw/zinc/38/34/89/1069383489.db2.gz HUOCEGPKLVLGQW-CYBMUJFWSA-N 1 1 400.457 -0.212 20 5 HBBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001299280789 1069383480 /nfs/dbraw/zinc/38/34/80/1069383480.db2.gz HUOCEGPKLVLGQW-CYBMUJFWSA-N 1 1 400.457 -0.212 20 5 HBBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001299280791 1069383350 /nfs/dbraw/zinc/38/33/50/1069383350.db2.gz HUOCEGPKLVLGQW-ZDUSSCGKSA-N 1 1 400.457 -0.212 20 5 HBBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001299280791 1069383340 /nfs/dbraw/zinc/38/33/40/1069383340.db2.gz HUOCEGPKLVLGQW-ZDUSSCGKSA-N 1 1 400.457 -0.212 20 5 HBBDMO COC(=O)[C@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC[N@@H+](C)C1 ZINC001299451780 1071917822 /nfs/dbraw/zinc/91/78/22/1071917822.db2.gz HNCBNAJMKNQJFT-LLVKDONJSA-N 1 1 404.379 -0.246 20 5 HBBDMO COC(=O)[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC[N@@H+](C)C1 ZINC001299451787 1071917733 /nfs/dbraw/zinc/91/77/33/1071917733.db2.gz HNCBNAJMKNQJFT-NSHDSACASA-N 1 1 404.379 -0.246 20 5 HBBDMO COC(=O)[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC001299455772 1071918370 /nfs/dbraw/zinc/91/83/70/1071918370.db2.gz HWXSILGCEBQZFJ-AWEZNQCLSA-N 1 1 407.427 -0.043 20 5 HBBDMO COC(=O)[C@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC001299455773 1071918506 /nfs/dbraw/zinc/91/85/06/1071918506.db2.gz HWXSILGCEBQZFJ-CQSZACIVSA-N 1 1 407.427 -0.043 20 5 HBBDMO CC[NH+]1CCN(C(=O)CNC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001648822597 1068340928 /nfs/dbraw/zinc/34/09/28/1068340928.db2.gz MXQYBDZTRWKZIF-UHFFFAOYSA-N 1 1 407.427 -0.387 20 5 HBBDMO CN(CC(=O)NCC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001648931424 1069259516 /nfs/dbraw/zinc/25/95/16/1069259516.db2.gz MWKDSUKDKJFEPT-UHFFFAOYSA-N 1 1 413.456 -0.895 20 5 HBBDMO