smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)CCO1 ZINC001460962621 937556585 /nfs/dbraw/zinc/55/65/85/937556585.db2.gz HIIJTOZTMZFNFB-GHMZBOCLSA-N 1 1 298.770 3.248 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)CCO1 ZINC001460962621 937556588 /nfs/dbraw/zinc/55/65/88/937556588.db2.gz HIIJTOZTMZFNFB-GHMZBOCLSA-N 1 1 298.770 3.248 20 5 CGBDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229375891 932142639 /nfs/dbraw/zinc/14/26/39/932142639.db2.gz APXKUCTTXDUKEG-LLVKDONJSA-N 1 1 284.743 3.110 20 5 CGBDMO CC(C)[N@H+]1CC[C@H](Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229375892 932142901 /nfs/dbraw/zinc/14/29/01/932142901.db2.gz APXKUCTTXDUKEG-NSHDSACASA-N 1 1 284.743 3.110 20 5 CGBDMO Cc1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(C)c1[N+](=O)[O-] ZINC001229465854 932156218 /nfs/dbraw/zinc/15/62/18/932156218.db2.gz GHDYBQMQFTUVGJ-NHAGDIPZSA-N 1 1 290.363 3.216 20 5 CGBDMO Cc1cc(O[C@@H]2CC[N@H+](C(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC001229471182 932157460 /nfs/dbraw/zinc/15/74/60/932157460.db2.gz XPYSXFJAWAJOCK-CYBMUJFWSA-N 1 1 278.352 3.073 20 5 CGBDMO Cc1cc(O[C@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC001230471465 932576234 /nfs/dbraw/zinc/57/62/34/932576234.db2.gz HJDYKKXZBFMWEK-ZDUSSCGKSA-N 1 1 278.352 3.073 20 5 CGBDMO C[N@H+]1CC[C@H](Oc2cccc(-c3cccc([N+](=O)[O-])c3)c2)C1 ZINC001230938587 932645320 /nfs/dbraw/zinc/64/53/20/932645320.db2.gz JAIWKNYRNIURDQ-KRWDZBQOSA-N 1 1 298.342 3.345 20 5 CGBDMO Cc1ccc(C)c([N+](=O)[O-])c1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001231061946 932669928 /nfs/dbraw/zinc/66/99/28/932669928.db2.gz WLDCBCAOWBWVFB-AWEZNQCLSA-N 1 1 292.379 3.463 20 5 CGBDMO Cc1cc([C@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])c(C)o1 ZINC001331252769 932685881 /nfs/dbraw/zinc/68/58/81/932685881.db2.gz IYPLVSDYNWCSEC-JTQLQIEISA-N 1 1 275.308 3.050 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001307440910 932953488 /nfs/dbraw/zinc/95/34/88/932953488.db2.gz VOTVFKQBQNIABW-LLVKDONJSA-N 1 1 266.316 3.356 20 5 CGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC001473536675 937810526 /nfs/dbraw/zinc/81/05/26/937810526.db2.gz FZXSDVMIJHOANE-UHFFFAOYSA-N 1 1 278.352 3.094 20 5 CGBDMO CCC[C@@H](NCC[C@@H](C)[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC001326474274 934982322 /nfs/dbraw/zinc/98/23/22/934982322.db2.gz UHTSJLZISANABV-IUODEOHRSA-N 1 1 279.384 3.024 20 5 CGBDMO CCCC[N@H+](C)CCNCc1c(C)ccc([N+](=O)[O-])c1C ZINC001473994101 937834635 /nfs/dbraw/zinc/83/46/35/937834635.db2.gz SNLZOHNRIWVZNU-UHFFFAOYSA-N 1 1 293.411 3.033 20 5 CGBDMO CCCC[N@@H+](C)CCNCc1c(C)ccc([N+](=O)[O-])c1C ZINC001473994101 937834637 /nfs/dbraw/zinc/83/46/37/937834637.db2.gz SNLZOHNRIWVZNU-UHFFFAOYSA-N 1 1 293.411 3.033 20 5 CGBDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC001559755830 938234544 /nfs/dbraw/zinc/23/45/44/938234544.db2.gz KJKAYYYSDODMAB-TZMCWYRMSA-N 1 1 277.368 3.390 20 5 CGBDMO CC[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000126250910 187228127 /nfs/dbraw/zinc/22/81/27/187228127.db2.gz NYDKJGBNZDIEEH-UHFFFAOYSA-N 1 1 277.349 3.170 20 5 CGBDMO CC[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000126250910 187228128 /nfs/dbraw/zinc/22/81/28/187228128.db2.gz NYDKJGBNZDIEEH-UHFFFAOYSA-N 1 1 277.349 3.170 20 5 CGBDMO C[N@H+]1CCC[C@H](CCNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000413443137 530060848 /nfs/dbraw/zinc/06/08/48/530060848.db2.gz RGBADKVJJSNVQM-SNVBAGLBSA-N 1 1 299.321 3.017 20 5 CGBDMO CCCC[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055897414 345157593 /nfs/dbraw/zinc/15/75/93/345157593.db2.gz MMDNMVJZXYQEHK-UHFFFAOYSA-N 1 1 266.341 3.096 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccccc1 ZINC000061745442 345232173 /nfs/dbraw/zinc/23/21/73/345232173.db2.gz CRQKSHBKJPDIEV-UHFFFAOYSA-N 1 1 286.331 3.235 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccccc1 ZINC000061745442 345232176 /nfs/dbraw/zinc/23/21/76/345232176.db2.gz CRQKSHBKJPDIEV-UHFFFAOYSA-N 1 1 286.331 3.235 20 5 CGBDMO CC(C)[N@H+]1CCC[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000063738959 345252832 /nfs/dbraw/zinc/25/28/32/345252832.db2.gz ZPQFTOVVXCECRQ-GFCCVEGCSA-N 1 1 295.358 3.266 20 5 CGBDMO CC[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000059403270 345207178 /nfs/dbraw/zinc/20/71/78/345207178.db2.gz KNRIRXJAFYIFQX-ZDUSSCGKSA-N 1 1 262.353 3.259 20 5 CGBDMO CC(C)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000060857081 345223277 /nfs/dbraw/zinc/22/32/77/345223277.db2.gz ZURIASYAFJKBPJ-UHFFFAOYSA-N 1 1 280.368 3.340 20 5 CGBDMO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593674096 347102774 /nfs/dbraw/zinc/10/27/74/347102774.db2.gz NODKKGUXFMUTRD-SBJJXXPASA-N 1 1 290.363 3.109 20 5 CGBDMO C[C@@H](F)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000351757487 219196814 /nfs/dbraw/zinc/19/68/14/219196814.db2.gz NMTAEAXBTAMSPV-LLVKDONJSA-N 1 1 266.316 3.307 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](F)C1 ZINC000593698043 347105268 /nfs/dbraw/zinc/10/52/68/347105268.db2.gz ZKSLQXWTKCHIAN-UNJUUPHPSA-N 1 1 278.327 3.432 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](F)C1 ZINC000593698043 347105271 /nfs/dbraw/zinc/10/52/71/347105271.db2.gz ZKSLQXWTKCHIAN-UNJUUPHPSA-N 1 1 278.327 3.432 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccoc1C ZINC000595008792 347255370 /nfs/dbraw/zinc/25/53/70/347255370.db2.gz SXPQETIERYMXMM-SNVBAGLBSA-N 1 1 290.319 3.356 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCC2(CC2)C1 ZINC000595440260 347303839 /nfs/dbraw/zinc/30/38/39/347303839.db2.gz ONLCGELAENWCAD-UHFFFAOYSA-N 1 1 264.300 3.110 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCC2(CC2)C1 ZINC000595440260 347303840 /nfs/dbraw/zinc/30/38/40/347303840.db2.gz ONLCGELAENWCAD-UHFFFAOYSA-N 1 1 264.300 3.110 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000595450603 347305131 /nfs/dbraw/zinc/30/51/31/347305131.db2.gz VAHSHNZDJOMXJO-ZWNOBZJWSA-N 1 1 264.300 3.108 20 5 CGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000596570412 347481024 /nfs/dbraw/zinc/48/10/24/347481024.db2.gz KLGHVFSDYAPRFW-GFCCVEGCSA-N 1 1 295.408 3.190 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000597212682 347555052 /nfs/dbraw/zinc/55/50/52/347555052.db2.gz XKHSFTXMIISPDJ-CYBMUJFWSA-N 1 1 280.343 3.475 20 5 CGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+]2C2CCCC2)c(F)c1 ZINC000599163055 347722205 /nfs/dbraw/zinc/72/22/05/347722205.db2.gz ANKNRMIWENBXHH-CYBMUJFWSA-N 1 1 293.342 3.163 20 5 CGBDMO C[C@H]1CC(F)(F)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000599624202 347759112 /nfs/dbraw/zinc/75/91/12/347759112.db2.gz UADIMCQBKDMIDP-JTQLQIEISA-N 1 1 270.279 3.214 20 5 CGBDMO CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000602705205 348013321 /nfs/dbraw/zinc/01/33/21/348013321.db2.gz MHNXTQPHSVFTER-UHFFFAOYSA-N 1 1 277.324 3.356 20 5 CGBDMO C[C@H](CNc1ccsc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000604432689 348120273 /nfs/dbraw/zinc/12/02/73/348120273.db2.gz QHAWCQPBOCGUHF-WDEREUQCSA-N 1 1 283.397 3.331 20 5 CGBDMO CC(C)CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000603683106 348093088 /nfs/dbraw/zinc/09/30/88/348093088.db2.gz FAGZLMYOYJYDMM-UHFFFAOYSA-N 1 1 292.379 3.484 20 5 CGBDMO C[C@@H]1CCC[C@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000603848798 348098881 /nfs/dbraw/zinc/09/88/81/348098881.db2.gz OONRHMACOLQAJH-KGLIPLIRSA-N 1 1 292.379 3.484 20 5 CGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H]2C2CC2)cc1 ZINC000609133726 348336909 /nfs/dbraw/zinc/33/69/09/348336909.db2.gz ZCEBVOXFPIHNIG-INIZCTEOSA-N 1 1 290.363 3.238 20 5 CGBDMO CC(C)[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000609767129 348352209 /nfs/dbraw/zinc/35/22/09/348352209.db2.gz PCUJLNWDTPRZGD-MRXNPFEDSA-N 1 1 292.379 3.484 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](c3ccco3)C2)cs1 ZINC000609539825 348346493 /nfs/dbraw/zinc/34/64/93/348346493.db2.gz DVLORMWBGBMDPS-NSHDSACASA-N 1 1 278.333 3.239 20 5 CGBDMO C[N@H+]1Cc2ccccc2[C@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000611414521 348449372 /nfs/dbraw/zinc/44/93/72/348449372.db2.gz FBXVYJKQYHMXFI-GFCCVEGCSA-N 1 1 289.360 3.255 20 5 CGBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000611414521 348449373 /nfs/dbraw/zinc/44/93/73/348449373.db2.gz FBXVYJKQYHMXFI-GFCCVEGCSA-N 1 1 289.360 3.255 20 5 CGBDMO CCC(O)(CC)C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611471155 348454865 /nfs/dbraw/zinc/45/48/65/348454865.db2.gz UCRRGTDMFJBLKY-LBPRGKRZSA-N 1 1 280.368 3.139 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339567054 215247971 /nfs/dbraw/zinc/24/79/71/215247971.db2.gz KKKXLRQAPOCWLU-NEPJUHHUSA-N 1 1 278.352 3.222 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000339567054 215247972 /nfs/dbraw/zinc/24/79/72/215247972.db2.gz KKKXLRQAPOCWLU-NEPJUHHUSA-N 1 1 278.352 3.222 20 5 CGBDMO O=[N+]([O-])c1ccsc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000617976692 349032061 /nfs/dbraw/zinc/03/20/61/349032061.db2.gz ZUWYOYJWICILJR-LLVKDONJSA-N 1 1 281.381 3.085 20 5 CGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCC3(CC3)C2)cc1 ZINC000352265363 219386458 /nfs/dbraw/zinc/38/64/58/219386458.db2.gz HZIMHADLVLLNBM-UHFFFAOYSA-N 1 1 290.363 3.240 20 5 CGBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000124283067 187130483 /nfs/dbraw/zinc/13/04/83/187130483.db2.gz MTNPHAMJNONDKC-UKRRQHHQSA-N 1 1 292.379 3.110 20 5 CGBDMO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000271479749 191162855 /nfs/dbraw/zinc/16/28/55/191162855.db2.gz IVKBDTKYDPVKGG-QMTHXVAHSA-N 1 1 286.335 3.046 20 5 CGBDMO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cccc([N+](=O)[O-])c1 ZINC000271479749 191162858 /nfs/dbraw/zinc/16/28/58/191162858.db2.gz IVKBDTKYDPVKGG-QMTHXVAHSA-N 1 1 286.335 3.046 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@H](C)C2(C)CC2)ccc1[N+](=O)[O-] ZINC000352540113 219498718 /nfs/dbraw/zinc/49/87/18/219498718.db2.gz HFKMKECFIIFNQS-LLVKDONJSA-N 1 1 278.352 3.224 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426455469 236295528 /nfs/dbraw/zinc/29/55/28/236295528.db2.gz SQZNDHCEJOPCIM-WFASDCNBSA-N 1 1 290.363 3.368 20 5 CGBDMO COc1ccc(C2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000341661854 216054365 /nfs/dbraw/zinc/05/43/65/216054365.db2.gz UQRVAQQKRRYTDI-UHFFFAOYSA-N 1 1 298.342 3.382 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCCCF)CC2 ZINC000341895764 216141228 /nfs/dbraw/zinc/14/12/28/216141228.db2.gz WUHMILSNXBIPIQ-UHFFFAOYSA-N 1 1 266.316 3.093 20 5 CGBDMO CC[C@@H](NCC[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000181565088 189300862 /nfs/dbraw/zinc/30/08/62/189300862.db2.gz HCCXSHKOSHCTNO-GOEBONIOSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[C@@H](NCC[C@@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000181565088 189300863 /nfs/dbraw/zinc/30/08/63/189300863.db2.gz HCCXSHKOSHCTNO-GOEBONIOSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000301414343 201001058 /nfs/dbraw/zinc/00/10/58/201001058.db2.gz LKKXHRTWXKVHFM-WDEREUQCSA-N 1 1 297.786 3.167 20 5 CGBDMO COc1cc(C[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000184234468 189380496 /nfs/dbraw/zinc/38/04/96/189380496.db2.gz LCKBRSFGCMWLQO-JTQLQIEISA-N 1 1 282.315 3.117 20 5 CGBDMO COc1cc(C[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000184234468 189380497 /nfs/dbraw/zinc/38/04/97/189380497.db2.gz LCKBRSFGCMWLQO-JTQLQIEISA-N 1 1 282.315 3.117 20 5 CGBDMO CC(C)C[N@H+]1CC[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000302025609 201304645 /nfs/dbraw/zinc/30/46/45/201304645.db2.gz PXLWSYXUZPJNEX-NSHDSACASA-N 1 1 283.397 3.046 20 5 CGBDMO C[C@@H]([NH2+]Cc1cnc(C2CC2)nc1)c1ccccc1[N+](=O)[O-] ZINC000459461898 242117906 /nfs/dbraw/zinc/11/79/06/242117906.db2.gz KREGBTVKWRQOGJ-LLVKDONJSA-N 1 1 298.346 3.113 20 5 CGBDMO COc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000051157403 369446619 /nfs/dbraw/zinc/44/66/19/369446619.db2.gz NTGHIOABTYAMAI-TXEJJXNPSA-N 1 1 278.352 3.081 20 5 CGBDMO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000053035641 369476404 /nfs/dbraw/zinc/47/64/04/369476404.db2.gz HRRXMCQDXGQNAE-NSHDSACASA-N 1 1 260.293 3.347 20 5 CGBDMO C[C@H](C1CC1)[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000054174635 369497452 /nfs/dbraw/zinc/49/74/52/369497452.db2.gz LYXJRIHBFYOABH-SECBINFHSA-N 1 1 266.366 3.419 20 5 CGBDMO CCOC[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000072976189 369846746 /nfs/dbraw/zinc/84/67/46/369846746.db2.gz IJDCBAGQJAOXEB-CQSZACIVSA-N 1 1 292.379 3.152 20 5 CGBDMO C[C@H]1CCCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000512186722 245023993 /nfs/dbraw/zinc/02/39/93/245023993.db2.gz WRRYMTMSPUCDJU-ZDUSSCGKSA-N 1 1 278.352 3.238 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000344002116 217010406 /nfs/dbraw/zinc/01/04/06/217010406.db2.gz IAKYKMQFWFHEOS-CQSZACIVSA-N 1 1 260.337 3.135 20 5 CGBDMO CSC[C@@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000135476334 371430912 /nfs/dbraw/zinc/43/09/12/371430912.db2.gz RDRNUWCSFYLIJR-JTQLQIEISA-N 1 1 284.356 3.061 20 5 CGBDMO Cn1cccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154272859 371832414 /nfs/dbraw/zinc/83/24/14/371832414.db2.gz AOMWFXNHYBOAOK-UHFFFAOYSA-N 1 1 285.347 3.098 20 5 CGBDMO Cn1cccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154272859 371832426 /nfs/dbraw/zinc/83/24/26/371832426.db2.gz AOMWFXNHYBOAOK-UHFFFAOYSA-N 1 1 285.347 3.098 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC(C)(C)C1 ZINC000289904665 371850201 /nfs/dbraw/zinc/85/02/01/371850201.db2.gz SQSZOUARITVUJD-OAHLLOKOSA-N 1 1 292.379 3.374 20 5 CGBDMO CCC[N@H+]1CC[C@H](CNc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000432347533 372564064 /nfs/dbraw/zinc/56/40/64/372564064.db2.gz ONLWJZXAMGJPBW-LLVKDONJSA-N 1 1 297.786 3.392 20 5 CGBDMO Cc1ccc(C[N@H+]2CCCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000294149709 372594499 /nfs/dbraw/zinc/59/44/99/372594499.db2.gz VGZDEIQEMLGJEY-INIZCTEOSA-N 1 1 292.379 3.150 20 5 CGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])CC1CC(F)(F)C1 ZINC000296532656 373167439 /nfs/dbraw/zinc/16/74/39/373167439.db2.gz NIDBFRAHZAEROJ-UHFFFAOYSA-N 1 1 270.279 3.072 20 5 CGBDMO CC[N@@H+](CCC1CC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444682952 373234542 /nfs/dbraw/zinc/23/45/42/373234542.db2.gz CEWDKVSINVVQBG-UHFFFAOYSA-N 1 1 288.351 3.093 20 5 CGBDMO CC(C)[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000446717043 373343739 /nfs/dbraw/zinc/34/37/39/373343739.db2.gz PESDNVKFEMZUPG-AWEZNQCLSA-N 1 1 262.353 3.115 20 5 CGBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000446906607 373378846 /nfs/dbraw/zinc/37/88/46/373378846.db2.gz PDEAXRCUWSDDSX-INIZCTEOSA-N 1 1 292.379 3.030 20 5 CGBDMO CC(C)[N@@H+](CCCCCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000175751423 373514033 /nfs/dbraw/zinc/51/40/33/373514033.db2.gz RLXRBEYYEMBVRV-UHFFFAOYSA-N 1 1 294.395 3.358 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC12CCC2 ZINC000353647887 220223046 /nfs/dbraw/zinc/22/30/46/220223046.db2.gz MTQRSXMYCIGYCX-UHFFFAOYSA-N 1 1 276.336 3.122 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC12CCC2 ZINC000353647887 220223052 /nfs/dbraw/zinc/22/30/52/220223052.db2.gz MTQRSXMYCIGYCX-UHFFFAOYSA-N 1 1 276.336 3.122 20 5 CGBDMO Cn1ccc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000449505732 373805432 /nfs/dbraw/zinc/80/54/32/373805432.db2.gz XLKOSEKHIFLRAF-MRXNPFEDSA-N 1 1 299.374 3.313 20 5 CGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CCCC1 ZINC000311416514 374240591 /nfs/dbraw/zinc/24/05/91/374240591.db2.gz JTAVNNDTEZIEQC-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000325686085 374359307 /nfs/dbraw/zinc/35/93/07/374359307.db2.gz MNBKPAVHWGYOFE-JTQLQIEISA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332229334 374562854 /nfs/dbraw/zinc/56/28/54/374562854.db2.gz LNFJQISQWIWFEP-MNOVXSKESA-N 1 1 288.351 3.092 20 5 CGBDMO CC[C@]1(C)CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000464770624 374897701 /nfs/dbraw/zinc/89/77/01/374897701.db2.gz CGDOFWNOMXZJJH-MRXNPFEDSA-N 1 1 292.379 3.486 20 5 CGBDMO Cc1c(C[N@H+]2CCCC3(CC3)C2)cccc1[N+](=O)[O-] ZINC000187005550 374954848 /nfs/dbraw/zinc/95/48/48/374954848.db2.gz VJOJKXLKKURYPZ-UHFFFAOYSA-N 1 1 260.337 3.279 20 5 CGBDMO CCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1C ZINC000474141221 375085400 /nfs/dbraw/zinc/08/54/00/375085400.db2.gz IBGIZEVRDATHSW-UHFFFAOYSA-N 1 1 265.357 3.047 20 5 CGBDMO COc1ccc(C[N@H+]2CCCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000187954044 375126769 /nfs/dbraw/zinc/12/67/69/375126769.db2.gz GKPMVVDZVVQJTL-LBPRGKRZSA-N 1 1 278.352 3.225 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)cs1 ZINC000335196535 375219129 /nfs/dbraw/zinc/21/91/29/375219129.db2.gz SBWVZNMEMUURPQ-QWRGUYRKSA-N 1 1 252.339 3.031 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)C[C@H]1C ZINC000536682450 376121148 /nfs/dbraw/zinc/12/11/48/376121148.db2.gz PLABYGUNDSFHKX-VXGBXAGGSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@@H]1C[C@@H](C)[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000537616554 376180347 /nfs/dbraw/zinc/18/03/47/376180347.db2.gz FNUJQOYLTVDTHM-WFMXKNRHSA-N 1 1 260.337 3.338 20 5 CGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000540055779 376354954 /nfs/dbraw/zinc/35/49/54/376354954.db2.gz JNNCOGJYBCATNY-OLZOCXBDSA-N 1 1 278.352 3.237 20 5 CGBDMO CO[C@@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245533038 376845697 /nfs/dbraw/zinc/84/56/97/376845697.db2.gz UXQDMTNVHZNKPE-TZMCWYRMSA-N 1 1 278.352 3.075 20 5 CGBDMO Cc1c(C[N@@H+]2CCS[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000246382777 377019631 /nfs/dbraw/zinc/01/96/31/377019631.db2.gz NGYMPTFGGIGQHA-NEPJUHHUSA-N 1 1 280.393 3.229 20 5 CGBDMO CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000313359535 249091010 /nfs/dbraw/zinc/09/10/10/249091010.db2.gz RLHQSZYTVNNAIV-AWEZNQCLSA-N 1 1 296.342 3.125 20 5 CGBDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000313359535 249091013 /nfs/dbraw/zinc/09/10/13/249091013.db2.gz RLHQSZYTVNNAIV-AWEZNQCLSA-N 1 1 296.342 3.125 20 5 CGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000516610722 249238254 /nfs/dbraw/zinc/23/82/54/249238254.db2.gz SECVAZOGVAGXFQ-LBPRGKRZSA-N 1 1 295.383 3.136 20 5 CGBDMO C[N@@H+](CC[C@H]1CCCO1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000342603068 377684616 /nfs/dbraw/zinc/68/46/16/377684616.db2.gz XINSFFVUSBDYAP-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@H]1CSCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255619664 377770685 /nfs/dbraw/zinc/77/06/85/377770685.db2.gz UMAZFLNFHBUBOU-RNZFLTOJSA-N 1 1 278.377 3.045 20 5 CGBDMO C[C@H]1CSCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255619664 377770691 /nfs/dbraw/zinc/77/06/91/377770691.db2.gz UMAZFLNFHBUBOU-RNZFLTOJSA-N 1 1 278.377 3.045 20 5 CGBDMO C[C@@H]1CCC[C@H]([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269697562 378255809 /nfs/dbraw/zinc/25/58/09/378255809.db2.gz XGIWYXAGFHUTHS-INWMFGNUSA-N 1 1 292.379 3.139 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCc1ccccn1 ZINC000348291881 378889658 /nfs/dbraw/zinc/88/96/58/378889658.db2.gz JXUUMSIHSBXGLE-ZDUSSCGKSA-N 1 1 285.347 3.225 20 5 CGBDMO CC[C@]1(CO)CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000275150410 378944999 /nfs/dbraw/zinc/94/49/99/378944999.db2.gz PIUSKYGPPIMGKL-BBRMVZONSA-N 1 1 292.379 3.140 20 5 CGBDMO CC1(C)CC[N@H+](Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000278721589 194122896 /nfs/dbraw/zinc/12/28/96/194122896.db2.gz ABGIBTDHETXJQO-UHFFFAOYSA-N 1 1 286.422 3.374 20 5 CGBDMO CC1(C)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000278721589 194122897 /nfs/dbraw/zinc/12/28/97/194122897.db2.gz ABGIBTDHETXJQO-UHFFFAOYSA-N 1 1 286.422 3.374 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000266539741 190265412 /nfs/dbraw/zinc/26/54/12/190265412.db2.gz PJQIGTTYVFDEAF-VXGBXAGGSA-N 1 1 278.352 3.155 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000266539741 190265413 /nfs/dbraw/zinc/26/54/13/190265413.db2.gz PJQIGTTYVFDEAF-VXGBXAGGSA-N 1 1 278.352 3.155 20 5 CGBDMO C[C@@H](c1ccccn1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282486919 379929780 /nfs/dbraw/zinc/92/97/80/379929780.db2.gz PKNTWPFXHPMUGO-ZDUSSCGKSA-N 1 1 285.347 3.225 20 5 CGBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000354355547 380411640 /nfs/dbraw/zinc/41/16/40/380411640.db2.gz VNGIROIMEZMROV-DGCLKSJQSA-N 1 1 295.358 3.043 20 5 CGBDMO CO[C@@]1(C)CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000279205348 194331835 /nfs/dbraw/zinc/33/18/35/194331835.db2.gz BFFROLLILWVQLU-DOMZBBRYSA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc(C)n1 ZINC000421380157 380920744 /nfs/dbraw/zinc/92/07/44/380920744.db2.gz LUBLNTBXPDDUOQ-UHFFFAOYSA-N 1 1 289.310 3.036 20 5 CGBDMO C[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000357098677 381026258 /nfs/dbraw/zinc/02/62/58/381026258.db2.gz DGKUVRKXEUZDNV-ZDUSSCGKSA-N 1 1 278.352 3.096 20 5 CGBDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000360479025 381556373 /nfs/dbraw/zinc/55/63/73/381556373.db2.gz UQBULOKSTCADEO-YPMHNXCESA-N 1 1 278.352 3.224 20 5 CGBDMO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CCC1 ZINC000361481743 381766585 /nfs/dbraw/zinc/76/65/85/381766585.db2.gz QHWKKVTXZRBGPY-UHFFFAOYSA-N 1 1 288.351 3.093 20 5 CGBDMO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@H](C)C1 ZINC000361629512 381846385 /nfs/dbraw/zinc/84/63/85/381846385.db2.gz KTPGENLZZZFUPP-DZGCQCFKSA-N 1 1 292.379 3.232 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@@H](C)C2CCC2)c([N+](=O)[O-])cc1F ZINC000362175641 381898386 /nfs/dbraw/zinc/89/83/86/381898386.db2.gz FVZKOSJHXWWFAL-JTQLQIEISA-N 1 1 296.342 3.363 20 5 CGBDMO C[C@H]1CC[C@H](C)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000362437484 381990128 /nfs/dbraw/zinc/99/01/28/381990128.db2.gz KCLXDZYEJWCBJU-STQMWFEESA-N 1 1 278.352 3.094 20 5 CGBDMO CC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000361557659 285092940 /nfs/dbraw/zinc/09/29/40/285092940.db2.gz BVGLISWLMSVWQC-SNVBAGLBSA-N 1 1 286.759 3.105 20 5 CGBDMO CC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000361557659 285092948 /nfs/dbraw/zinc/09/29/48/285092948.db2.gz BVGLISWLMSVWQC-SNVBAGLBSA-N 1 1 286.759 3.105 20 5 CGBDMO Cc1cccc(C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000353744459 220297427 /nfs/dbraw/zinc/29/74/27/220297427.db2.gz FPSLJHVPXYQYTN-RMKNXTFCSA-N 1 1 297.358 3.443 20 5 CGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000353783510 220328577 /nfs/dbraw/zinc/32/85/77/220328577.db2.gz XSNHZONLYMPEFD-CABCVRRESA-N 1 1 292.379 3.230 20 5 CGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000353819812 220348075 /nfs/dbraw/zinc/34/80/75/220348075.db2.gz UYBYWGIPTBBLTP-HUUCEWRRSA-N 1 1 292.379 3.230 20 5 CGBDMO Cc1ccncc1CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000289108164 197237609 /nfs/dbraw/zinc/23/76/09/197237609.db2.gz MPNZGYQYVKDCTD-UHFFFAOYSA-N 1 1 299.374 3.363 20 5 CGBDMO CC[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000281304296 195189534 /nfs/dbraw/zinc/18/95/34/195189534.db2.gz PXOLJRBSFGTZJY-PXTSUWAFSA-N 1 1 290.363 3.109 20 5 CGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CCOCC1 ZINC000107064469 392315089 /nfs/dbraw/zinc/31/50/89/392315089.db2.gz LYLWSFGSSAYHTF-UHFFFAOYSA-N 1 1 298.770 3.107 20 5 CGBDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000108393408 392342166 /nfs/dbraw/zinc/34/21/66/392342166.db2.gz OXOWXKQSPCUOBH-OAHLLOKOSA-N 1 1 292.379 3.376 20 5 CGBDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000109783349 392374974 /nfs/dbraw/zinc/37/49/74/392374974.db2.gz LPVPGDHUXJVXCF-LBPRGKRZSA-N 1 1 286.331 3.493 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509295790 392741244 /nfs/dbraw/zinc/74/12/44/392741244.db2.gz XIJFGQAOGDZKAK-AOOOYVTPSA-N 1 1 284.306 3.351 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509295790 392741250 /nfs/dbraw/zinc/74/12/50/392741250.db2.gz XIJFGQAOGDZKAK-AOOOYVTPSA-N 1 1 284.306 3.351 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1C=CCCC1 ZINC000511073517 392826136 /nfs/dbraw/zinc/82/61/36/392826136.db2.gz KYRIHTAWXLGYFN-CQSZACIVSA-N 1 1 260.337 3.178 20 5 CGBDMO CCc1cnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000219247116 393000952 /nfs/dbraw/zinc/00/09/52/393000952.db2.gz TWZGWFUXMJQRSG-JTQLQIEISA-N 1 1 291.376 3.465 20 5 CGBDMO C[C@H]1CC[C@@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000429554217 393477763 /nfs/dbraw/zinc/47/77/63/393477763.db2.gz ARYBLNAMHDOWQE-GXTWGEPZSA-N 1 1 278.352 3.094 20 5 CGBDMO COc1cc(C[N@H+]2CC(C)=C[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000430280519 393558560 /nfs/dbraw/zinc/55/85/60/393558560.db2.gz XWIBMDNFJZNMGW-SNVBAGLBSA-N 1 1 294.326 3.141 20 5 CGBDMO COc1cc(C[N@@H+]2CC(C)=C[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000430280519 393558563 /nfs/dbraw/zinc/55/85/63/393558563.db2.gz XWIBMDNFJZNMGW-SNVBAGLBSA-N 1 1 294.326 3.141 20 5 CGBDMO CCOc1cc(C[N@@H+](C)[C@@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000489453243 393598414 /nfs/dbraw/zinc/59/84/14/393598414.db2.gz WZSWZHRTOCILNA-CQSZACIVSA-N 1 1 278.352 3.224 20 5 CGBDMO COc1ccc(C[N@H+]2CC3(CCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000432797317 393640828 /nfs/dbraw/zinc/64/08/28/393640828.db2.gz DOMJMWPDNBODSU-LBPRGKRZSA-N 1 1 290.363 3.368 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000491185801 393671262 /nfs/dbraw/zinc/67/12/62/393671262.db2.gz IOQQLGRJYBAFNC-BXUZGUMPSA-N 1 1 260.337 3.388 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000441682091 393737407 /nfs/dbraw/zinc/73/74/07/393737407.db2.gz RKBSTJFNRDTMRN-HZSPNIEDSA-N 1 1 290.363 3.014 20 5 CGBDMO C[C@@H](C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000554845505 289313345 /nfs/dbraw/zinc/31/33/45/289313345.db2.gz ANPRBSREGUZAII-JTQLQIEISA-N 1 1 290.285 3.268 20 5 CGBDMO CC1(C)[C@@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000093661008 287118349 /nfs/dbraw/zinc/11/83/49/287118349.db2.gz SVLSNUMJBVOKGT-CCSSQEOUSA-N 1 1 272.348 3.196 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc([N+](=O)[O-])cc1F ZINC000020474758 171218704 /nfs/dbraw/zinc/21/87/04/171218704.db2.gz LAGMYDFBRAMTNB-GFCCVEGCSA-N 1 1 295.358 3.410 20 5 CGBDMO CCN(CC)[C@H](C)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000127551902 287290187 /nfs/dbraw/zinc/29/01/87/287290187.db2.gz JAAFOCMJATVBSG-ZIAGYGMSSA-N 1 1 293.411 3.284 20 5 CGBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1CCCC1 ZINC000103471257 270045877 /nfs/dbraw/zinc/04/58/77/270045877.db2.gz ICFYPVSTXXMCOF-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000303028926 270091880 /nfs/dbraw/zinc/09/18/80/270091880.db2.gz SXXAXAREXCJPST-HZSPNIEDSA-N 1 1 291.395 3.373 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1C2CCC1CC2 ZINC000523839923 270111159 /nfs/dbraw/zinc/11/11/59/270111159.db2.gz FECDJXFOIAYDQN-UHFFFAOYSA-N 1 1 266.728 3.375 20 5 CGBDMO C[C@H]([N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000532928527 270219812 /nfs/dbraw/zinc/21/98/12/270219812.db2.gz ZEDVOOBMSZYDMD-NSHDSACASA-N 1 1 250.342 3.461 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000533250029 270222679 /nfs/dbraw/zinc/22/26/79/270222679.db2.gz PJEKUWUXDLYEHA-NSHDSACASA-N 1 1 280.368 3.470 20 5 CGBDMO C[C@@H]1Cc2[nH+]cn(CCc3ccc([N+](=O)[O-])cc3)c2C[C@H]1C ZINC000319810194 287944716 /nfs/dbraw/zinc/94/47/16/287944716.db2.gz RHJSGKDMGCCUDA-CHWSQXEVSA-N 1 1 299.374 3.405 20 5 CGBDMO Cc1ncc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000398019281 288037635 /nfs/dbraw/zinc/03/76/35/288037635.db2.gz UIGQKOANUZNCQF-JTQLQIEISA-N 1 1 275.308 3.050 20 5 CGBDMO CC[N@@H+](C[C@H](C)OC)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000361577635 279228358 /nfs/dbraw/zinc/22/83/58/279228358.db2.gz NFTQRVHSFZKKGV-STQMWFEESA-N 1 1 280.368 3.321 20 5 CGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+](C2CC2)C2CCCC2)cc1 ZINC000521705941 288136516 /nfs/dbraw/zinc/13/65/16/288136516.db2.gz RKHKUIZWGQVAHJ-UHFFFAOYSA-N 1 1 290.363 3.381 20 5 CGBDMO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cnn1C ZINC000037167625 280253252 /nfs/dbraw/zinc/25/32/52/280253252.db2.gz FCRVXPFXKINGAQ-GHMZBOCLSA-N 1 1 288.351 3.049 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000531232703 288331151 /nfs/dbraw/zinc/33/11/51/288331151.db2.gz QPXFPCKLIWWBKO-INIZCTEOSA-N 1 1 282.343 3.412 20 5 CGBDMO C[C@H]([NH2+]Cc1ccc(Cl)cn1)c1ccccc1[N+](=O)[O-] ZINC000557792516 289459170 /nfs/dbraw/zinc/45/91/70/289459170.db2.gz UDDHHVZJVAZJFM-JTQLQIEISA-N 1 1 291.738 3.494 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000566617397 322131709 /nfs/dbraw/zinc/13/17/09/322131709.db2.gz DZCHJKRGVRFOEB-INIZCTEOSA-N 1 1 297.358 3.022 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000571806240 322308206 /nfs/dbraw/zinc/30/82/06/322308206.db2.gz NAFQMKGQUGZADW-CQSZACIVSA-N 1 1 274.364 3.425 20 5 CGBDMO CC(C)(C)[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000583088402 329310208 /nfs/dbraw/zinc/31/02/08/329310208.db2.gz FUQQPHOLBMXAAK-ZDUSSCGKSA-N 1 1 292.379 3.342 20 5 CGBDMO CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000576089687 335151600 /nfs/dbraw/zinc/15/16/00/335151600.db2.gz JUESCIULNNBJAW-OKILXGFUSA-N 1 1 290.363 3.225 20 5 CGBDMO Cc1ncc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)o1 ZINC000414170714 534743463 /nfs/dbraw/zinc/74/34/63/534743463.db2.gz CFEHWOPGUTWQDJ-JTQLQIEISA-N 1 1 275.308 3.050 20 5 CGBDMO Cc1c([C@H](C)NCC2([NH+](C)C)CCC2)cccc1[N+](=O)[O-] ZINC000275659587 525915272 /nfs/dbraw/zinc/91/52/72/525915272.db2.gz FXIVLBCFOOLESR-ZDUSSCGKSA-N 1 1 291.395 3.038 20 5 CGBDMO C[C@@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000725777594 572399516 /nfs/dbraw/zinc/39/95/16/572399516.db2.gz GLYPFMDZLGGCIB-SECBINFHSA-N 1 1 293.348 3.171 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000725777594 572399520 /nfs/dbraw/zinc/39/95/20/572399520.db2.gz GLYPFMDZLGGCIB-SECBINFHSA-N 1 1 293.348 3.171 20 5 CGBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCOC1 ZINC000735492293 572726109 /nfs/dbraw/zinc/72/61/09/572726109.db2.gz HOSFGWGKZGPCEQ-NSHDSACASA-N 1 1 298.770 3.107 20 5 CGBDMO C[C@H]1c2ccccc2C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750072665 573078842 /nfs/dbraw/zinc/07/88/42/573078842.db2.gz PWBAGJLSGFHAFB-SJCJKPOMSA-N 1 1 298.342 3.205 20 5 CGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC000750074373 573079205 /nfs/dbraw/zinc/07/92/05/573079205.db2.gz XKUYCUWSOZMDFX-IRXDYDNUSA-N 1 1 298.342 3.075 20 5 CGBDMO CCOc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000894657748 619597170 /nfs/dbraw/zinc/59/71/70/619597170.db2.gz ONNSDQXGQPXMQW-NSHDSACASA-N 1 1 290.319 3.437 20 5 CGBDMO Cc1coc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000894678836 619601674 /nfs/dbraw/zinc/60/16/74/619601674.db2.gz DYKVAPVUGSAJDP-UHFFFAOYSA-N 1 1 274.320 3.171 20 5 CGBDMO C[C@@H]([NH2+]C/C=C\Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000903445171 621757574 /nfs/dbraw/zinc/75/75/74/621757574.db2.gz SDONJYNLEUYBPH-WAXIIBMWSA-N 1 1 258.680 3.137 20 5 CGBDMO CCC[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000755244201 626609472 /nfs/dbraw/zinc/60/94/72/626609472.db2.gz DTYBWWGMBQNFRJ-ZBFHGGJFSA-N 1 1 292.379 3.283 20 5 CGBDMO Cc1nn(C[N@H+](C)[C@H](C)C(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000761288934 627030673 /nfs/dbraw/zinc/03/06/73/627030673.db2.gz ZEIUCWDQMKYRRO-GFCCVEGCSA-N 1 1 290.367 3.187 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000792867207 629389010 /nfs/dbraw/zinc/38/90/10/629389010.db2.gz MKVLDXRHAHRRPW-QWRGUYRKSA-N 1 1 293.323 3.123 20 5 CGBDMO C[C@H]1C[C@H](C)[NH+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000793228263 629432396 /nfs/dbraw/zinc/43/23/96/629432396.db2.gz LYWRUOXMCJIAFY-IUCAKERBSA-N 1 1 254.717 3.231 20 5 CGBDMO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000793228261 629432545 /nfs/dbraw/zinc/43/25/45/629432545.db2.gz LYWRUOXMCJIAFY-DTORHVGOSA-N 1 1 254.717 3.231 20 5 CGBDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000793228261 629432548 /nfs/dbraw/zinc/43/25/48/629432548.db2.gz LYWRUOXMCJIAFY-DTORHVGOSA-N 1 1 254.717 3.231 20 5 CGBDMO CSCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000798963480 630131167 /nfs/dbraw/zinc/13/11/67/630131167.db2.gz FPEQKMIDQZMSNW-UHFFFAOYSA-N 1 1 288.800 3.433 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866581943 633201741 /nfs/dbraw/zinc/20/17/41/633201741.db2.gz FSGRGWJPEOGDEH-KWCYVHTRSA-N 1 1 292.404 3.341 20 5 CGBDMO CO[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000824814881 633295378 /nfs/dbraw/zinc/29/53/78/633295378.db2.gz GBMRESLBWRFTMS-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000824814881 633295381 /nfs/dbraw/zinc/29/53/81/633295381.db2.gz GBMRESLBWRFTMS-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO CC/C=C/C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872075422 633997798 /nfs/dbraw/zinc/99/77/98/633997798.db2.gz RFKGRILSLWLBHA-YEZKRMTDSA-N 1 1 252.289 3.351 20 5 CGBDMO C[C@H]1CCC(C)(C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832565269 634073143 /nfs/dbraw/zinc/07/31/43/634073143.db2.gz QRJNKSMBQQMVAF-JTQLQIEISA-N 1 1 293.323 3.266 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CCc1ccncc1 ZINC000877318816 635025326 /nfs/dbraw/zinc/02/53/26/635025326.db2.gz KMAPXQXDGBRHQC-UHFFFAOYSA-N 1 1 299.374 3.281 20 5 CGBDMO CS[C@H]1CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877563290 635091905 /nfs/dbraw/zinc/09/19/05/635091905.db2.gz LGGWXAAEALIUJH-LBPRGKRZSA-N 1 1 280.393 3.149 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)cs1 ZINC000877719065 635163790 /nfs/dbraw/zinc/16/37/90/635163790.db2.gz FXRWOWXOYBPXQD-TXEJJXNPSA-N 1 1 264.350 3.054 20 5 CGBDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886038577 637381130 /nfs/dbraw/zinc/38/11/30/637381130.db2.gz YUZPGUWHYGKISJ-XJKSGUPXSA-N 1 1 297.358 3.368 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@@H+](CC1CC1)CC1CCC1 ZINC000886183393 637451264 /nfs/dbraw/zinc/45/12/64/637451264.db2.gz CRFDXGYIGNZOJV-UHFFFAOYSA-N 1 1 275.352 3.002 20 5 CGBDMO CCC[C@@H](NCCC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000925741258 638593267 /nfs/dbraw/zinc/59/32/67/638593267.db2.gz OAOVGAZAJVAGKB-CQSZACIVSA-N 1 1 279.384 3.153 20 5 CGBDMO Cc1nnsc1[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000930236836 638985445 /nfs/dbraw/zinc/98/54/45/638985445.db2.gz ZJDOIBAMOUNTHI-IUCAKERBSA-N 1 1 292.364 3.167 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001254553498 806449418 /nfs/dbraw/zinc/44/94/18/806449418.db2.gz WDWGFTPXPDJBPQ-RTXFEEFZSA-N 1 1 296.317 3.113 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596418 806456696 /nfs/dbraw/zinc/45/66/96/806456696.db2.gz DNTMYNKDAFGFBY-OZVIIMIRSA-N 1 1 274.364 3.325 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C3CC3)C2)c(C(F)F)c1 ZINC000111290755 798983828 /nfs/dbraw/zinc/98/38/28/798983828.db2.gz PIJQEXMPJPWPCP-VIFPVBQESA-N 1 1 297.305 3.181 20 5 CGBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000692926939 799803395 /nfs/dbraw/zinc/80/33/95/799803395.db2.gz TZFDHZPVSWFEBB-VGPLMAKISA-N 1 1 278.327 3.497 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(Cn2cc[nH+]c2C2CC2)c1 ZINC000704174396 799934616 /nfs/dbraw/zinc/93/46/16/799934616.db2.gz MEUJLRSZQLTEBA-UHFFFAOYSA-N 1 1 277.711 3.370 20 5 CGBDMO Cc1ccc(Cn2cc[nH+]c2C2CC2)cc1[N+](=O)[O-] ZINC000714039206 800116673 /nfs/dbraw/zinc/11/66/73/800116673.db2.gz WBXSUZOSNOZHIA-UHFFFAOYSA-N 1 1 257.293 3.025 20 5 CGBDMO CCc1[nH+]c(C)cn1Cc1cccc([N+](=O)[O-])c1C ZINC000715151827 800132544 /nfs/dbraw/zinc/13/25/44/800132544.db2.gz YHBLLDNTPMCMHA-UHFFFAOYSA-N 1 1 259.309 3.019 20 5 CGBDMO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1cccc([N+](=O)[O-])c1 ZINC000715931275 800153537 /nfs/dbraw/zinc/15/35/37/800153537.db2.gz JFEMKQFNCKUOHG-ZJUUUORDSA-N 1 1 277.349 3.463 20 5 CGBDMO Cc1ccc(C[NH2+][C@@H](C)c2ccns2)cc1[N+](=O)[O-] ZINC000715932494 800153616 /nfs/dbraw/zinc/15/36/16/800153616.db2.gz OEQOQDRARPYWEV-JTQLQIEISA-N 1 1 277.349 3.211 20 5 CGBDMO CC(C)[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006627 807550576 /nfs/dbraw/zinc/55/05/76/807550576.db2.gz IRORUWUFPFJPRY-CVEARBPZSA-N 1 1 276.380 3.342 20 5 CGBDMO C[N@@H+](CCc1ccccc1Cl)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037730 807556011 /nfs/dbraw/zinc/55/60/11/807556011.db2.gz TWXODCDUEHUBTQ-GXTWGEPZSA-N 1 1 296.798 3.260 20 5 CGBDMO CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040146 807556737 /nfs/dbraw/zinc/55/67/37/807556737.db2.gz YGQHAJYCZUMDRU-DZGCQCFKSA-N 1 1 280.343 3.093 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCC[C@H]3CCCC[C@@H]32)C1 ZINC001169048216 807558410 /nfs/dbraw/zinc/55/84/10/807558410.db2.gz TWSHPMMZJYIVQW-XGUBFFRZSA-N 1 1 266.385 3.086 20 5 CGBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170329403 807826400 /nfs/dbraw/zinc/82/64/00/807826400.db2.gz QDKVEXZUDOSMSC-NWDGAFQWSA-N 1 1 278.352 3.019 20 5 CGBDMO CCC[N@@H+](C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173181663 808533905 /nfs/dbraw/zinc/53/39/05/808533905.db2.gz DAYXXTFHHVVPSS-JTQLQIEISA-N 1 1 284.331 3.015 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](CF)C1 ZINC001173228842 808541010 /nfs/dbraw/zinc/54/10/10/808541010.db2.gz ZKEYYIKFCDWFGZ-GXTWGEPZSA-N 1 1 280.343 3.207 20 5 CGBDMO CCO[C@H]1CCC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173227565 808541563 /nfs/dbraw/zinc/54/15/63/808541563.db2.gz QWQODLHCSXYPBG-BBRMVZONSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001173228995 808543179 /nfs/dbraw/zinc/54/31/79/808543179.db2.gz PNGVOIAGDLUHKT-LALPHHSUSA-N 1 1 280.343 3.206 20 5 CGBDMO COc1cc(Nc2ccc([N+](=O)[O-])cc2)[nH+]cc1C ZINC001174477897 809033058 /nfs/dbraw/zinc/03/30/58/809033058.db2.gz BETBBKQSCPWUEL-UHFFFAOYSA-N 1 1 259.265 3.050 20 5 CGBDMO COc1ccc(Nc2[nH+]c(C)ccc2C)cc1[N+](=O)[O-] ZINC001176361316 809677288 /nfs/dbraw/zinc/67/72/88/809677288.db2.gz YFBFPYALBLGXLY-UHFFFAOYSA-N 1 1 273.292 3.359 20 5 CGBDMO C[C@H]1CCC[N@@H+](CCNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001184839396 810221240 /nfs/dbraw/zinc/22/12/40/810221240.db2.gz IHEHRKDAPYUCII-NSHDSACASA-N 1 1 297.786 3.392 20 5 CGBDMO O=[N+]([O-])CC[N@H+](Cc1ccccc1F)C1CCCCC1 ZINC001192336897 810787587 /nfs/dbraw/zinc/78/75/87/810787587.db2.gz ZVUNELJDRUDCIK-UHFFFAOYSA-N 1 1 280.343 3.237 20 5 CGBDMO O=[N+]([O-])CC[N@@H+](Cc1ccccc1F)C1CCCCC1 ZINC001192336897 810787599 /nfs/dbraw/zinc/78/75/99/810787599.db2.gz ZVUNELJDRUDCIK-UHFFFAOYSA-N 1 1 280.343 3.237 20 5 CGBDMO Cc1[nH+]c2ccc(F)cn2c1Nc1ccccc1[N+](=O)[O-] ZINC001206157853 813218534 /nfs/dbraw/zinc/21/85/34/813218534.db2.gz GIYLHFJUBOVDSC-UHFFFAOYSA-N 1 1 286.266 3.434 20 5 CGBDMO C[C@@H](O[C@@H]1CCC[N@@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001224027779 816724020 /nfs/dbraw/zinc/72/40/20/816724020.db2.gz XXYLRFGORIBMCF-IUODEOHRSA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CCC[N@@H+](C)C1 ZINC001226990201 817527079 /nfs/dbraw/zinc/52/70/79/817527079.db2.gz SIJKXWHBQZWDNJ-SNVBAGLBSA-N 1 1 284.743 3.030 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CCC[N@H+](C)C1 ZINC001226990201 817527084 /nfs/dbraw/zinc/52/70/84/817527084.db2.gz SIJKXWHBQZWDNJ-SNVBAGLBSA-N 1 1 284.743 3.030 20 5 CGBDMO CC(C)[N@H+]1CC[C@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001228256440 817852522 /nfs/dbraw/zinc/85/25/22/817852522.db2.gz WQAIGZLPAHNHGJ-LBPRGKRZSA-N 1 1 284.743 3.110 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1CC[N@H+](C(C)C)C1 ZINC001228572384 817942939 /nfs/dbraw/zinc/94/29/39/817942939.db2.gz ZYPSTYSUUIEUFN-AWEZNQCLSA-N 1 1 278.352 3.073 20 5 CGBDMO CC[N@@H+](C)Cc1ccc2ccc3cccnc3c2n1 ZINC001232218679 818282989 /nfs/dbraw/zinc/28/29/89/818282989.db2.gz DZJNGVPECWCEKU-UHFFFAOYSA-N 1 1 251.333 3.235 20 5 CGBDMO COc1cc(COc2cc[nH+]c(C)c2)c([N+](=O)[O-])cc1F ZINC001343483081 936503052 /nfs/dbraw/zinc/50/30/52/936503052.db2.gz MFHUIXCKHCHENJ-UHFFFAOYSA-N 1 1 292.266 3.025 20 5 CGBDMO CCc1cc(NCc2ccc(C)c([N+](=O)[O-])c2)nc(C)[nH+]1 ZINC001458549252 937468287 /nfs/dbraw/zinc/46/82/87/937468287.db2.gz SYBDWRKNILTDGN-UHFFFAOYSA-N 1 1 286.335 3.176 20 5 CGBDMO Cc1ccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC001230146484 932536947 /nfs/dbraw/zinc/53/69/47/932536947.db2.gz PSYJJNGLLNAVOR-VIKVFOODSA-N 1 1 290.363 3.012 20 5 CGBDMO Cc1c(C[N@H+]2C[C@H]3CSC[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC001308134796 933055723 /nfs/dbraw/zinc/05/57/23/933055723.db2.gz SUSXRVDSNVSCIM-DZGCQCFKSA-N 1 1 292.404 3.088 20 5 CGBDMO C[C@H](N[C@H]1CCCC[C@@H]1[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001322643610 934324746 /nfs/dbraw/zinc/32/47/46/934324746.db2.gz SHZUMUFELFFLGH-RCBQFDQVSA-N 1 1 291.395 3.118 20 5 CGBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC001333412755 935533714 /nfs/dbraw/zinc/53/37/14/935533714.db2.gz AYTUESNLVWDQJL-UHFFFAOYSA-N 1 1 280.368 3.342 20 5 CGBDMO C[N@@H+](CCCC(F)(F)F)CCc1ccccc1[N+](=O)[O-] ZINC001335018204 936125994 /nfs/dbraw/zinc/12/59/94/936125994.db2.gz NXBCXGWJZUWVSX-UHFFFAOYSA-N 1 1 290.285 3.412 20 5 CGBDMO Cc1ccc(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001559069014 938219752 /nfs/dbraw/zinc/21/97/52/938219752.db2.gz XGVGGQGKWYQFGV-UONOGXRCSA-N 1 1 291.395 3.436 20 5 CGBDMO C[C@H]1CC(C)(C)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001559913690 938238809 /nfs/dbraw/zinc/23/88/09/938238809.db2.gz RQZLVIAKRUENEV-ZDUSSCGKSA-N 1 1 292.379 3.484 20 5 CGBDMO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCSC ZINC000592529321 346997933 /nfs/dbraw/zinc/99/79/33/346997933.db2.gz IVKRBNSODOXBER-VURMDHGXSA-N 1 1 280.393 3.293 20 5 CGBDMO C[N@@H+](CCc1ccc(F)cc1)Cc1csc([N+](=O)[O-])c1 ZINC000055025116 345142050 /nfs/dbraw/zinc/14/20/50/345142050.db2.gz JUIJHMVAZISSEH-UHFFFAOYSA-N 1 1 294.351 3.470 20 5 CGBDMO COc1ccc(C[N@@H+](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000339260721 215046701 /nfs/dbraw/zinc/04/67/01/215046701.db2.gz GYZDHTWPSTWHJU-UHFFFAOYSA-N 1 1 266.341 3.081 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589496260 346798150 /nfs/dbraw/zinc/79/81/50/346798150.db2.gz BTTBUEVIOYMHDT-NSHDSACASA-N 1 1 294.351 3.002 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000594597024 347198456 /nfs/dbraw/zinc/19/84/56/347198456.db2.gz CBMXXBIYZWXLHX-HUUCEWRRSA-N 1 1 275.352 3.024 20 5 CGBDMO CCCC[N@@H+](CC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595287134 347286814 /nfs/dbraw/zinc/28/68/14/347286814.db2.gz BLUPYVUJOALART-UHFFFAOYSA-N 1 1 254.305 3.356 20 5 CGBDMO C[C@@H]([N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-])C1(C)CC1 ZINC000595337898 347294120 /nfs/dbraw/zinc/29/41/20/347294120.db2.gz CVOQPXSZMZZUNW-SNVBAGLBSA-N 1 1 266.316 3.354 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000595450597 347305080 /nfs/dbraw/zinc/30/50/80/347305080.db2.gz VAHSHNZDJOMXJO-GWCFXTLKSA-N 1 1 264.300 3.108 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1CC=CC1 ZINC000595483909 347310141 /nfs/dbraw/zinc/31/01/41/347310141.db2.gz JGTNLHWZUPWZHA-UHFFFAOYSA-N 1 1 260.337 3.035 20 5 CGBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@@H]4CCCC[C@@H]43)nc2c1 ZINC000595566158 347320339 /nfs/dbraw/zinc/32/03/39/347320339.db2.gz LWBRHINUBBZDMZ-GWCFXTLKSA-N 1 1 287.319 3.110 20 5 CGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@@H]4CCCC[C@@H]43)nc2c1 ZINC000595566158 347320343 /nfs/dbraw/zinc/32/03/43/347320343.db2.gz LWBRHINUBBZDMZ-GWCFXTLKSA-N 1 1 287.319 3.110 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000596308406 347414000 /nfs/dbraw/zinc/41/40/00/347414000.db2.gz RRWHIDVAERSRIN-SECBINFHSA-N 1 1 299.321 3.158 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC(F)(F)CC2)cc1 ZINC000599551465 347753853 /nfs/dbraw/zinc/75/38/53/347753853.db2.gz NGJPYFAGJBMITK-UHFFFAOYSA-N 1 1 284.306 3.259 20 5 CGBDMO CCC[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602438569 347958178 /nfs/dbraw/zinc/95/81/78/347958178.db2.gz SBPJPOLKSWEAEV-UHFFFAOYSA-N 1 1 293.186 3.261 20 5 CGBDMO CCC[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602438569 347958181 /nfs/dbraw/zinc/95/81/81/347958181.db2.gz SBPJPOLKSWEAEV-UHFFFAOYSA-N 1 1 293.186 3.261 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1CCSCC1 ZINC000602648913 348000826 /nfs/dbraw/zinc/00/08/26/348000826.db2.gz DPVQVOMRYQIWDT-UHFFFAOYSA-N 1 1 294.420 3.212 20 5 CGBDMO Cc1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)sn1 ZINC000602659088 348002757 /nfs/dbraw/zinc/00/27/57/348002757.db2.gz NAKAEVJIUXYHGV-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(F)F ZINC000603427102 348082022 /nfs/dbraw/zinc/08/20/22/348082022.db2.gz ASJFTYJAMBXXIV-NXEZZACHSA-N 1 1 272.295 3.159 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000609145721 348337692 /nfs/dbraw/zinc/33/76/92/348337692.db2.gz USCGKTVDPOJBHL-CYBMUJFWSA-N 1 1 264.300 3.108 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000609539999 348346283 /nfs/dbraw/zinc/34/62/83/348346283.db2.gz NTHGHCGVAMPEAE-LLVKDONJSA-N 1 1 290.294 3.316 20 5 CGBDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000610215442 348367448 /nfs/dbraw/zinc/36/74/48/348367448.db2.gz SLACGJQKOSOMAA-UONOGXRCSA-N 1 1 292.379 3.484 20 5 CGBDMO CCO[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000610341395 348375851 /nfs/dbraw/zinc/37/58/51/348375851.db2.gz IIUQVWSDMBELRL-QWHCGFSZSA-N 1 1 278.352 3.157 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc(O)cc2)C2CC2)c1 ZINC000610000926 348360264 /nfs/dbraw/zinc/36/02/64/348360264.db2.gz CBHZTBZDAIUJJJ-UHFFFAOYSA-N 1 1 298.342 3.465 20 5 CGBDMO C[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000611501826 348456781 /nfs/dbraw/zinc/45/67/81/348456781.db2.gz ISNLZLBFDPWXEN-IUODEOHRSA-N 1 1 296.342 3.044 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC(C)C ZINC000351970703 219271841 /nfs/dbraw/zinc/27/18/41/219271841.db2.gz HPFLXNAMWOOREV-UHFFFAOYSA-N 1 1 266.341 3.081 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCC(C)C ZINC000612576459 348529855 /nfs/dbraw/zinc/52/98/55/348529855.db2.gz BZFZPYGSTVLMJV-UHFFFAOYSA-N 1 1 250.342 3.381 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCOCC3(CCCC3)C2)cs1 ZINC000614222619 348659812 /nfs/dbraw/zinc/65/98/12/348659812.db2.gz MKUOBBJIYRVOIJ-UHFFFAOYSA-N 1 1 296.392 3.049 20 5 CGBDMO COCC(C)(C)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000292100883 198163483 /nfs/dbraw/zinc/16/34/83/198163483.db2.gz HYONREXLPXNYBI-UHFFFAOYSA-N 1 1 286.759 3.105 20 5 CGBDMO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccn(C)n2)cccc1[N+](=O)[O-] ZINC000414168909 235352567 /nfs/dbraw/zinc/35/25/67/235352567.db2.gz AQIRNVNMBSVVFJ-RYUDHWBXSA-N 1 1 288.351 3.049 20 5 CGBDMO C[C@H]1CCCC[N@H+]1CCNc1c(F)cccc1[N+](=O)[O-] ZINC000341546657 216007601 /nfs/dbraw/zinc/00/76/01/216007601.db2.gz LCEWHPZERGBJGN-NSHDSACASA-N 1 1 281.331 3.020 20 5 CGBDMO CC(C)C[N@H+]1CC[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000301597351 201090237 /nfs/dbraw/zinc/09/02/37/201090237.db2.gz GTRRGQFLZWYYKN-GFCCVEGCSA-N 1 1 295.358 3.124 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000301580936 201078640 /nfs/dbraw/zinc/07/86/40/201078640.db2.gz SUUOZGNITSMGAV-ZDUSSCGKSA-N 1 1 289.379 3.332 20 5 CGBDMO COc1cc(C[N@@H+]2CCC3(CCC3)C2)c([N+](=O)[O-])cc1F ZINC000184235437 189380797 /nfs/dbraw/zinc/38/07/97/189380797.db2.gz KWWXWSXPRRSDER-UHFFFAOYSA-N 1 1 294.326 3.119 20 5 CGBDMO COc1cc(C[N@H+]2CCC3(CCC3)C2)c([N+](=O)[O-])cc1F ZINC000184235437 189380798 /nfs/dbraw/zinc/38/07/98/189380798.db2.gz KWWXWSXPRRSDER-UHFFFAOYSA-N 1 1 294.326 3.119 20 5 CGBDMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000301998007 201292559 /nfs/dbraw/zinc/29/25/59/201292559.db2.gz QLOJARRBYNVWCR-IAGOWNOFSA-N 1 1 297.358 3.452 20 5 CGBDMO Cn1ccc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000449505731 239483143 /nfs/dbraw/zinc/48/31/43/239483143.db2.gz XLKOSEKHIFLRAF-INIZCTEOSA-N 1 1 299.374 3.313 20 5 CGBDMO CSCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544402 240322599 /nfs/dbraw/zinc/32/25/99/240322599.db2.gz FFFMMFKGMWQCRZ-ZDUSSCGKSA-N 1 1 280.393 3.137 20 5 CGBDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000459682998 242180986 /nfs/dbraw/zinc/18/09/86/242180986.db2.gz ZAADWLBMVHIIMQ-MRXNPFEDSA-N 1 1 292.379 3.294 20 5 CGBDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000459682997 242182614 /nfs/dbraw/zinc/18/26/14/242182614.db2.gz ZAADWLBMVHIIMQ-INIZCTEOSA-N 1 1 292.379 3.294 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CC(C)(C)C1 ZINC000459748486 242207929 /nfs/dbraw/zinc/20/79/29/242207929.db2.gz XERYTGAZNWBQQH-UHFFFAOYSA-N 1 1 278.352 3.224 20 5 CGBDMO Cc1cc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461959058 242320050 /nfs/dbraw/zinc/32/00/50/242320050.db2.gz RUKMRZRIEKVZJT-MNOVXSKESA-N 1 1 293.342 3.079 20 5 CGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+](CC2CC2)C2CCC2)cc1 ZINC000483305550 243276341 /nfs/dbraw/zinc/27/63/41/243276341.db2.gz IAJOWSBHQBCRES-UHFFFAOYSA-N 1 1 290.363 3.238 20 5 CGBDMO Cc1ncsc1C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000066565662 369697445 /nfs/dbraw/zinc/69/74/45/369697445.db2.gz HGHJUUXPFHKUPU-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO CC[C@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCS1 ZINC000093502142 370135889 /nfs/dbraw/zinc/13/58/89/370135889.db2.gz YPQCQEZPTPRXKA-ZDUSSCGKSA-N 1 1 280.393 3.231 20 5 CGBDMO C[C@@H]1CCCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000512210819 245026375 /nfs/dbraw/zinc/02/63/75/245026375.db2.gz WUNLCZRSXICCTH-CYBMUJFWSA-N 1 1 278.352 3.238 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H]2CCCCO2)C2CC2)cc1 ZINC000129994776 371008927 /nfs/dbraw/zinc/00/89/27/371008927.db2.gz PSAQCJUAMAIRAI-MRXNPFEDSA-N 1 1 290.363 3.128 20 5 CGBDMO Cc1c([C@H](C)N[C@H](C)C[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000290229746 371940784 /nfs/dbraw/zinc/94/07/84/371940784.db2.gz RNQLAHLHCLHFSD-OCCSQVGLSA-N 1 1 293.411 3.283 20 5 CGBDMO Cc1c([C@H](C)[NH2+][C@H](C)CN(C)C(C)C)cccc1[N+](=O)[O-] ZINC000290229746 371940795 /nfs/dbraw/zinc/94/07/95/371940795.db2.gz RNQLAHLHCLHFSD-OCCSQVGLSA-N 1 1 293.411 3.283 20 5 CGBDMO CC[N@H+](CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000155854142 371948284 /nfs/dbraw/zinc/94/82/84/371948284.db2.gz PTOCFCRLDVYCFA-ZDUSSCGKSA-N 1 1 291.395 3.038 20 5 CGBDMO CC[N@@H+](CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000155854142 371948296 /nfs/dbraw/zinc/94/82/96/371948296.db2.gz PTOCFCRLDVYCFA-ZDUSSCGKSA-N 1 1 291.395 3.038 20 5 CGBDMO Cc1ccoc1C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000429369903 372358503 /nfs/dbraw/zinc/35/85/03/372358503.db2.gz SVSVIHHDKUUWFY-UHFFFAOYSA-N 1 1 290.319 3.007 20 5 CGBDMO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000170928869 372682455 /nfs/dbraw/zinc/68/24/55/372682455.db2.gz RBHGIWNXIMDLPG-UHFFFAOYSA-N 1 1 271.320 3.012 20 5 CGBDMO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000170928869 372682462 /nfs/dbraw/zinc/68/24/62/372682462.db2.gz RBHGIWNXIMDLPG-UHFFFAOYSA-N 1 1 271.320 3.012 20 5 CGBDMO CC[C@@H](F)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000440793738 372992525 /nfs/dbraw/zinc/99/25/25/372992525.db2.gz XJTBRRREFXCZKA-GFCCVEGCSA-N 1 1 266.316 3.307 20 5 CGBDMO CC[C@@H](F)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000440793738 372992545 /nfs/dbraw/zinc/99/25/45/372992545.db2.gz XJTBRRREFXCZKA-GFCCVEGCSA-N 1 1 266.316 3.307 20 5 CGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000441441151 373012377 /nfs/dbraw/zinc/01/23/77/373012377.db2.gz AUYCOONTPSTTSQ-XJKSGUPXSA-N 1 1 290.363 3.238 20 5 CGBDMO CC(C)[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000444769617 373267371 /nfs/dbraw/zinc/26/73/71/373267371.db2.gz ISXWFEGERNKXAI-CQSZACIVSA-N 1 1 292.379 3.342 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000298770929 373404593 /nfs/dbraw/zinc/40/45/93/373404593.db2.gz OQLBIUHOQZMCHL-HNNXBMFYSA-N 1 1 271.320 3.260 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000298770929 373404598 /nfs/dbraw/zinc/40/45/98/373404598.db2.gz OQLBIUHOQZMCHL-HNNXBMFYSA-N 1 1 271.320 3.260 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000177200642 373663016 /nfs/dbraw/zinc/66/30/16/373663016.db2.gz CKXYSBIBAHAPKK-LSDHHAIUSA-N 1 1 292.404 3.455 20 5 CGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000449496828 373792585 /nfs/dbraw/zinc/79/25/85/373792585.db2.gz HPROMHCTDNGDMC-INIZCTEOSA-N 1 1 297.358 3.369 20 5 CGBDMO COC[C@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000449781503 373910889 /nfs/dbraw/zinc/91/08/89/373910889.db2.gz XKJXRDHUTWFLML-AWEZNQCLSA-N 1 1 292.379 3.152 20 5 CGBDMO COC[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000452085437 374231453 /nfs/dbraw/zinc/23/14/53/374231453.db2.gz NVAQDYZIEBCTBH-AWEZNQCLSA-N 1 1 292.379 3.152 20 5 CGBDMO CCOCC[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182157716 374228165 /nfs/dbraw/zinc/22/81/65/374228165.db2.gz UFRBVQZEYHNJKQ-UHFFFAOYSA-N 1 1 286.759 3.107 20 5 CGBDMO CCOCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182157716 374228170 /nfs/dbraw/zinc/22/81/70/374228170.db2.gz UFRBVQZEYHNJKQ-UHFFFAOYSA-N 1 1 286.759 3.107 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311879748 374260320 /nfs/dbraw/zinc/26/03/20/374260320.db2.gz MUVWHUXCSQEQST-LLVKDONJSA-N 1 1 266.316 3.356 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nccn2C)cc1[N+](=O)[O-] ZINC000183317391 374401352 /nfs/dbraw/zinc/40/13/52/374401352.db2.gz JWADYWUIGIPUMH-NWDGAFQWSA-N 1 1 288.351 3.049 20 5 CGBDMO CCOc1cc(C[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331161071 374509818 /nfs/dbraw/zinc/50/98/18/374509818.db2.gz LBDIGSMVPISYPJ-LBPRGKRZSA-N 1 1 278.352 3.368 20 5 CGBDMO CCOc1cc(C[N@H+]2CC[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000331184526 374511582 /nfs/dbraw/zinc/51/15/82/374511582.db2.gz SKRRTOZQKZECRZ-NWDGAFQWSA-N 1 1 278.352 3.224 20 5 CGBDMO CCOc1cc(C[N@H+]2CCC[C@H]2CC)ccc1[N+](=O)[O-] ZINC000331185657 374511892 /nfs/dbraw/zinc/51/18/92/374511892.db2.gz SXTCXPHUYXDXSG-CYBMUJFWSA-N 1 1 278.352 3.368 20 5 CGBDMO CCOc1cc(C[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000331179502 374512092 /nfs/dbraw/zinc/51/20/92/374512092.db2.gz QOQYFMYVRNMVHV-LBPRGKRZSA-N 1 1 278.352 3.225 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332291226 374565890 /nfs/dbraw/zinc/56/58/90/374565890.db2.gz YCLPVSXXNQRHEC-NSHDSACASA-N 1 1 288.351 3.236 20 5 CGBDMO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000472278010 375016394 /nfs/dbraw/zinc/01/63/94/375016394.db2.gz PLTLHNLZFZQTTD-LBPRGKRZSA-N 1 1 278.352 3.094 20 5 CGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC=CCC1 ZINC000507157892 375680479 /nfs/dbraw/zinc/68/04/79/375680479.db2.gz YDOZKFKSOGWQIJ-CYBMUJFWSA-N 1 1 260.337 3.383 20 5 CGBDMO CCC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000336850230 376011156 /nfs/dbraw/zinc/01/11/56/376011156.db2.gz WOTHTCZZAYHVPK-CZUORRHYSA-N 1 1 293.411 3.223 20 5 CGBDMO CCC(CC)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536669009 376118065 /nfs/dbraw/zinc/11/80/65/376118065.db2.gz WTPPLECOTBPIFP-UHFFFAOYSA-N 1 1 262.353 3.389 20 5 CGBDMO CCCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCOC ZINC000536673553 376119139 /nfs/dbraw/zinc/11/91/39/376119139.db2.gz LDJAELBJMDEUTF-VQHVLOKHSA-N 1 1 292.379 3.357 20 5 CGBDMO Cc1c(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000228884269 376453710 /nfs/dbraw/zinc/45/37/10/376453710.db2.gz YIRPYCWZRKKRKK-WFASDCNBSA-N 1 1 292.379 3.029 20 5 CGBDMO COc1cc(C[N@H+]2C[C@H](C)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000542252105 376524117 /nfs/dbraw/zinc/52/41/17/376524117.db2.gz VFGQGQJLLUFKAX-GFCCVEGCSA-N 1 1 292.379 3.471 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC1(C)CCC1 ZINC000338955387 376600909 /nfs/dbraw/zinc/60/09/09/376600909.db2.gz NIKQKTCZLOBHPT-UHFFFAOYSA-N 1 1 262.353 3.259 20 5 CGBDMO Cc1c(C[NH2+]Cc2ccc(Cl)o2)cccc1[N+](=O)[O-] ZINC000231883740 376574616 /nfs/dbraw/zinc/57/46/16/376574616.db2.gz KMGGFUHLVPWQQQ-UHFFFAOYSA-N 1 1 280.711 3.439 20 5 CGBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000339004461 376623506 /nfs/dbraw/zinc/62/35/06/376623506.db2.gz WVVBUFXMFPLKCC-CHWSQXEVSA-N 1 1 277.368 3.270 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](CC3CC3)C2)c(F)c1 ZINC000339683630 376808706 /nfs/dbraw/zinc/80/87/06/376808706.db2.gz NXAUDAMDYHCQST-GFCCVEGCSA-N 1 1 278.327 3.356 20 5 CGBDMO CC[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H](C)O1 ZINC000245513718 376840614 /nfs/dbraw/zinc/84/06/14/376840614.db2.gz ASOLXQKOEZSJFE-UMVBOHGHSA-N 1 1 292.379 3.464 20 5 CGBDMO CC[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H](C)O1 ZINC000245513718 376840617 /nfs/dbraw/zinc/84/06/17/376840617.db2.gz ASOLXQKOEZSJFE-UMVBOHGHSA-N 1 1 292.379 3.464 20 5 CGBDMO Cc1ccc(C[N@@H+]2CCS[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000245787161 376908040 /nfs/dbraw/zinc/90/80/40/376908040.db2.gz VKWQACGFJMQDRA-VXGBXAGGSA-N 1 1 280.393 3.229 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCCOC1 ZINC000558414093 377004862 /nfs/dbraw/zinc/00/48/62/377004862.db2.gz WSPFGIONXLVJIF-RCBBPTIPSA-N 1 1 290.363 3.109 20 5 CGBDMO Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nc1C ZINC000314290283 249095890 /nfs/dbraw/zinc/09/58/90/249095890.db2.gz OLYSVBVHZGNDFC-CYBMUJFWSA-N 1 1 285.347 3.457 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000515544126 249215014 /nfs/dbraw/zinc/21/50/14/249215014.db2.gz BOEPZBZZUOKMMM-CYBMUJFWSA-N 1 1 278.352 3.238 20 5 CGBDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000517038790 249255520 /nfs/dbraw/zinc/25/55/20/249255520.db2.gz NHZNXGOYNYMGKZ-HNNXBMFYSA-N 1 1 297.358 3.288 20 5 CGBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000270529428 378364842 /nfs/dbraw/zinc/36/48/42/378364842.db2.gz OGIUFWQWIIJXLQ-NSHDSACASA-N 1 1 286.784 3.186 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@H](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000271054455 378441414 /nfs/dbraw/zinc/44/14/14/378441414.db2.gz SCQFVDQETJSMAL-LLVKDONJSA-N 1 1 296.367 3.088 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC1(O)CCCC1 ZINC000272535441 378659472 /nfs/dbraw/zinc/65/94/72/378659472.db2.gz RFNHJMILAFIQPT-ZDUSSCGKSA-N 1 1 292.379 3.201 20 5 CGBDMO CCOC[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266538115 190265442 /nfs/dbraw/zinc/26/54/42/190265442.db2.gz OVVIAUKXPJPKSI-ZIAGYGMSSA-N 1 1 292.379 3.404 20 5 CGBDMO C[C@H]1CC[C@@H]([N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000352420340 379807387 /nfs/dbraw/zinc/80/73/87/379807387.db2.gz BQXMTYQVBZSIAL-VHSXEESVSA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000352420340 379807399 /nfs/dbraw/zinc/80/73/99/379807399.db2.gz BQXMTYQVBZSIAL-VHSXEESVSA-N 1 1 284.306 3.493 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2C2CCC2)c(F)c1 ZINC000352692072 379910604 /nfs/dbraw/zinc/91/06/04/379910604.db2.gz OECTXXXHEBKIRQ-HNNXBMFYSA-N 1 1 278.327 3.498 20 5 CGBDMO Cc1ccc(C[N@H+](C)Cc2ccoc2)cc1[N+](=O)[O-] ZINC000352655426 379897100 /nfs/dbraw/zinc/89/71/00/379897100.db2.gz RXBYXTSBGFZJCU-UHFFFAOYSA-N 1 1 260.293 3.128 20 5 CGBDMO Cc1ccc(C[N@@H+](C)Cc2ccoc2)cc1[N+](=O)[O-] ZINC000352655426 379897104 /nfs/dbraw/zinc/89/71/04/379897104.db2.gz RXBYXTSBGFZJCU-UHFFFAOYSA-N 1 1 260.293 3.128 20 5 CGBDMO CCc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000352741475 379935310 /nfs/dbraw/zinc/93/53/10/379935310.db2.gz GPECCQJYVBZVSJ-LBPRGKRZSA-N 1 1 285.347 3.403 20 5 CGBDMO CCC[N@@H+](CC)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1C ZINC000353057575 380096642 /nfs/dbraw/zinc/09/66/42/380096642.db2.gz BGQANTNQVAFHFG-AWEZNQCLSA-N 1 1 293.411 3.113 20 5 CGBDMO CCCN(CC)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000353057575 380096649 /nfs/dbraw/zinc/09/66/49/380096649.db2.gz BGQANTNQVAFHFG-AWEZNQCLSA-N 1 1 293.411 3.113 20 5 CGBDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000353963581 380255482 /nfs/dbraw/zinc/25/54/82/380255482.db2.gz XTOHCYNZSUJXDT-GOEBONIOSA-N 1 1 292.379 3.230 20 5 CGBDMO CCC[N@H+]1CCC[C@@H]1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000353985876 380265735 /nfs/dbraw/zinc/26/57/35/380265735.db2.gz FNTPATXWSGMPGU-CZUORRHYSA-N 1 1 291.395 3.120 20 5 CGBDMO CCCN1CCC[C@@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000353985876 380265742 /nfs/dbraw/zinc/26/57/42/380265742.db2.gz FNTPATXWSGMPGU-CZUORRHYSA-N 1 1 291.395 3.120 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](O)CC2)cc1[N+](=O)[O-] ZINC000354739469 380546819 /nfs/dbraw/zinc/54/68/19/380546819.db2.gz YRCCWZZOBAEVTM-CQSZACIVSA-N 1 1 292.379 3.065 20 5 CGBDMO Cc1ccncc1C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000355603102 380724628 /nfs/dbraw/zinc/72/46/28/380724628.db2.gz WWGHWLLNRFTIQM-FNORWQNLSA-N 1 1 297.358 3.443 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000419355388 380814066 /nfs/dbraw/zinc/81/40/66/380814066.db2.gz DYPOFYJBFYNTPA-OAHLLOKOSA-N 1 1 292.404 3.312 20 5 CGBDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000357551372 381205638 /nfs/dbraw/zinc/20/56/38/381205638.db2.gz HZMWPAOSXHOZJS-ONGXEEELSA-N 1 1 254.355 3.419 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000361616760 381840865 /nfs/dbraw/zinc/84/08/65/381840865.db2.gz PJCAIBZEMBVWQE-LLVKDONJSA-N 1 1 296.342 3.365 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250737194 542344262 /nfs/dbraw/zinc/34/42/62/542344262.db2.gz CFBAGTGYUKNMPZ-RYUDHWBXSA-N 1 1 295.770 3.287 20 5 CGBDMO CO[C@H](C)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000353777569 220326102 /nfs/dbraw/zinc/32/61/02/220326102.db2.gz BRHRGHJRWLCFKP-IUCKJTJTSA-N 1 1 292.379 3.353 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CC=CCC1)CCO2 ZINC000356513789 285142624 /nfs/dbraw/zinc/14/26/24/285142624.db2.gz CBVNJQTWHXGUOD-ZDUSSCGKSA-N 1 1 288.347 3.146 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000353846672 220363540 /nfs/dbraw/zinc/36/35/40/220363540.db2.gz QICPBYDQSZWTGG-VIFPVBQESA-N 1 1 254.355 3.277 20 5 CGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000505577679 392675694 /nfs/dbraw/zinc/67/56/94/392675694.db2.gz ZZKNJZWZJPBHSC-NWDGAFQWSA-N 1 1 295.358 3.266 20 5 CGBDMO Cc1cc(N[C@H](C)C[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000505581045 392676438 /nfs/dbraw/zinc/67/64/38/392676438.db2.gz DQJLKSMDZFISQI-GXTWGEPZSA-N 1 1 291.395 3.436 20 5 CGBDMO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509122690 392738091 /nfs/dbraw/zinc/73/80/91/392738091.db2.gz LCQLJLZHVBDNGD-YMTOWFKASA-N 1 1 284.306 3.493 20 5 CGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509122690 392738101 /nfs/dbraw/zinc/73/81/01/392738101.db2.gz LCQLJLZHVBDNGD-YMTOWFKASA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000182113577 392743020 /nfs/dbraw/zinc/74/30/20/392743020.db2.gz MZCSMWLEEHEYTQ-SNVBAGLBSA-N 1 1 291.738 3.494 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000466924469 393072738 /nfs/dbraw/zinc/07/27/38/393072738.db2.gz AHBJOEXXMUQYEA-BETUJISGSA-N 1 1 262.353 3.400 20 5 CGBDMO CC[C@@]1(C)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000468148488 393128561 /nfs/dbraw/zinc/12/85/61/393128561.db2.gz IBFYNXYJCXNPNK-HNNXBMFYSA-N 1 1 278.352 3.096 20 5 CGBDMO CCCC[N@@H+](CCO)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470176851 393231504 /nfs/dbraw/zinc/23/15/04/393231504.db2.gz NOLSROXOJFGMFF-SDNWHVSQSA-N 1 1 292.379 3.093 20 5 CGBDMO CC(C)n1nccc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000280348136 393341065 /nfs/dbraw/zinc/34/10/65/393341065.db2.gz RDNMKICPTUKMHS-GFCCVEGCSA-N 1 1 288.351 3.223 20 5 CGBDMO COCCCC[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000419391830 393368776 /nfs/dbraw/zinc/36/87/76/393368776.db2.gz RSXQJIDLHXFFBX-UHFFFAOYSA-N 1 1 286.759 3.107 20 5 CGBDMO COCCCC[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000419391830 393368784 /nfs/dbraw/zinc/36/87/84/393368784.db2.gz RSXQJIDLHXFFBX-UHFFFAOYSA-N 1 1 286.759 3.107 20 5 CGBDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000429577286 393486690 /nfs/dbraw/zinc/48/66/90/393486690.db2.gz FFAKXPSDSPQHCP-MWLCHTKSSA-N 1 1 254.355 3.277 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000430200064 393538446 /nfs/dbraw/zinc/53/84/46/393538446.db2.gz FFYHVFVTZMTSSC-TXEJJXNPSA-N 1 1 278.352 3.081 20 5 CGBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC(OC(C)(C)C)C1 ZINC000360815539 393593783 /nfs/dbraw/zinc/59/37/83/393593783.db2.gz XJXFNGQSCGQEOS-UHFFFAOYSA-N 1 1 292.379 3.373 20 5 CGBDMO Cc1cccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000490053904 393628994 /nfs/dbraw/zinc/62/89/94/393628994.db2.gz LHPSOWWCWGRVMR-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1cccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000490053904 393628996 /nfs/dbraw/zinc/62/89/96/393628996.db2.gz LHPSOWWCWGRVMR-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO C[N@@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491217028 393672984 /nfs/dbraw/zinc/67/29/84/393672984.db2.gz MFILAZCOFYTROR-UHFFFAOYSA-N 1 1 288.322 3.408 20 5 CGBDMO CCN(CC)C[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000361154853 393686607 /nfs/dbraw/zinc/68/66/07/393686607.db2.gz QZGURYBRNXNAPO-JSGCOSHPSA-N 1 1 293.411 3.284 20 5 CGBDMO Cc1ccc(N[C@H](C)Cc2ccccc2[N+](=O)[O-])[nH+]c1 ZINC000449091858 393874757 /nfs/dbraw/zinc/87/47/57/393874757.db2.gz QZMQPWRXDRBKRR-GFCCVEGCSA-N 1 1 271.320 3.341 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCO[C@@H](C)C1 ZINC000245527023 292295842 /nfs/dbraw/zinc/29/58/42/292295842.db2.gz PQYSLPMXKXCPGH-STQMWFEESA-N 1 1 278.352 3.075 20 5 CGBDMO C[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000078512832 165132358 /nfs/dbraw/zinc/13/23/58/165132358.db2.gz JZSFNXZVFOTITJ-CYBMUJFWSA-N 1 1 292.379 3.110 20 5 CGBDMO C[C@@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119257014 287167350 /nfs/dbraw/zinc/16/73/50/287167350.db2.gz JQMKVYOPGWTXHW-SECBINFHSA-N 1 1 254.717 3.233 20 5 CGBDMO CC[C@@H](C)[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119417610 287169312 /nfs/dbraw/zinc/16/93/12/287169312.db2.gz UBSSGKYRISAEJJ-SECBINFHSA-N 1 1 256.733 3.479 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119417610 287169313 /nfs/dbraw/zinc/16/93/13/287169313.db2.gz UBSSGKYRISAEJJ-SECBINFHSA-N 1 1 256.733 3.479 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000285353955 196258867 /nfs/dbraw/zinc/25/88/67/196258867.db2.gz PUQJDMYBIJWBES-UHFFFAOYSA-N 1 1 284.315 3.477 20 5 CGBDMO C[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000038028721 174017165 /nfs/dbraw/zinc/01/71/65/174017165.db2.gz PTSWCXWVMDIQSX-KGLIPLIRSA-N 1 1 291.395 3.120 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCCSCC1 ZINC000129020624 287322802 /nfs/dbraw/zinc/32/28/02/287322802.db2.gz JZJONIYEZQKSHI-UHFFFAOYSA-N 1 1 286.784 3.187 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCCSCC1 ZINC000129020624 287322804 /nfs/dbraw/zinc/32/28/04/287322804.db2.gz JZJONIYEZQKSHI-UHFFFAOYSA-N 1 1 286.784 3.187 20 5 CGBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1CCC1 ZINC000116280136 267136415 /nfs/dbraw/zinc/13/64/15/267136415.db2.gz WQUZBAXZQDIFDW-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000353948514 277360029 /nfs/dbraw/zinc/36/00/29/277360029.db2.gz VIMBGULZBSLPHG-GOEBONIOSA-N 1 1 292.379 3.230 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@](C)(F)C1 ZINC000352768708 281022042 /nfs/dbraw/zinc/02/20/42/281022042.db2.gz IUUUAJNFMINHGX-SMDDNHRTSA-N 1 1 266.316 3.398 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@](C)(F)C1 ZINC000352768708 281022044 /nfs/dbraw/zinc/02/20/44/281022044.db2.gz IUUUAJNFMINHGX-SMDDNHRTSA-N 1 1 266.316 3.398 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000530994532 288323139 /nfs/dbraw/zinc/32/31/39/288323139.db2.gz RZBABCAZYUVQBN-INIZCTEOSA-N 1 1 282.343 3.412 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531725675 288343471 /nfs/dbraw/zinc/34/34/71/288343471.db2.gz MLRJLNHKUQSGNN-IHRRRGAJSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531725675 288343472 /nfs/dbraw/zinc/34/34/72/288343472.db2.gz MLRJLNHKUQSGNN-IHRRRGAJSA-N 1 1 291.395 3.037 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](CC3CC3)C2)cc1 ZINC000550423147 289076406 /nfs/dbraw/zinc/07/64/06/289076406.db2.gz ZIDGWLKPFMRJOS-OAHLLOKOSA-N 1 1 274.364 3.259 20 5 CGBDMO CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000567002982 322146441 /nfs/dbraw/zinc/14/64/41/322146441.db2.gz PERZRZWEYDJRCN-KGLIPLIRSA-N 1 1 293.411 3.366 20 5 CGBDMO CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000567002982 322146443 /nfs/dbraw/zinc/14/64/43/322146443.db2.gz PERZRZWEYDJRCN-KGLIPLIRSA-N 1 1 293.411 3.366 20 5 CGBDMO CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000567002983 322146523 /nfs/dbraw/zinc/14/65/23/322146523.db2.gz PERZRZWEYDJRCN-ZIAGYGMSSA-N 1 1 293.411 3.366 20 5 CGBDMO CCCN(CC)C[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000567002983 322146525 /nfs/dbraw/zinc/14/65/25/322146525.db2.gz PERZRZWEYDJRCN-ZIAGYGMSSA-N 1 1 293.411 3.366 20 5 CGBDMO CC(C)[C@@H]1[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000567931660 322184270 /nfs/dbraw/zinc/18/42/70/322184270.db2.gz OUSMURKWIUXYSH-AWEZNQCLSA-N 1 1 262.353 3.461 20 5 CGBDMO CCOc1cc(C[N@@H+](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000568624775 322215897 /nfs/dbraw/zinc/21/58/97/322215897.db2.gz QNYQVNJDRCFRCQ-UHFFFAOYSA-N 1 1 266.341 3.224 20 5 CGBDMO CC[C@H](C)C[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000111254424 523870463 /nfs/dbraw/zinc/87/04/63/523870463.db2.gz JPYLOULXZHURLC-JTQLQIEISA-N 1 1 254.305 3.212 20 5 CGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](F)C3)o2)cc1 ZINC000449390055 534880936 /nfs/dbraw/zinc/88/09/36/534880936.db2.gz UZTZMOFFQCRKPL-LBPRGKRZSA-N 1 1 290.294 3.399 20 5 CGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](F)C3)o2)cc1 ZINC000449390055 534880939 /nfs/dbraw/zinc/88/09/39/534880939.db2.gz UZTZMOFFQCRKPL-LBPRGKRZSA-N 1 1 290.294 3.399 20 5 CGBDMO CC[N@@H+](CCC1CC1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000355035408 528425635 /nfs/dbraw/zinc/42/56/35/528425635.db2.gz MLHIAWGFRIKDHO-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO CC[N@@H+](CCNc1cc(C)c([N+](=O)[O-])cc1F)C(C)C ZINC000359875308 528519629 /nfs/dbraw/zinc/51/96/29/528519629.db2.gz KKBIQQXPQZNBGZ-UHFFFAOYSA-N 1 1 283.347 3.185 20 5 CGBDMO CCC[C@@H](NCCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423529667 529006835 /nfs/dbraw/zinc/00/68/35/529006835.db2.gz QGGHLPXAKLATMC-MRXNPFEDSA-N 1 1 291.395 3.168 20 5 CGBDMO CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C[C@H](C)OC ZINC000462824597 535765010 /nfs/dbraw/zinc/76/50/10/535765010.db2.gz FHOFMYVQPCSTNU-SSUFTNFISA-N 1 1 292.379 3.355 20 5 CGBDMO Cc1cccc(F)c1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000742380787 572571433 /nfs/dbraw/zinc/57/14/33/572571433.db2.gz TVRNIYLOUMGLEJ-UHFFFAOYSA-N 1 1 280.324 3.394 20 5 CGBDMO C[C@@H]1CSCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000934300465 618583545 /nfs/dbraw/zinc/58/35/45/618583545.db2.gz PJMIDLGRGBBSSN-SNVBAGLBSA-N 1 1 284.356 3.061 20 5 CGBDMO C[C@@H]1CSCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000934300465 618583554 /nfs/dbraw/zinc/58/35/54/618583554.db2.gz PJMIDLGRGBBSSN-SNVBAGLBSA-N 1 1 284.356 3.061 20 5 CGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CCC1 ZINC000061457733 618681144 /nfs/dbraw/zinc/68/11/44/618681144.db2.gz FLLZYUXNUSCSLX-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO C[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000235248057 618751794 /nfs/dbraw/zinc/75/17/94/618751794.db2.gz NTTNZPBJOUCHFT-SECBINFHSA-N 1 1 299.168 3.342 20 5 CGBDMO C[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000235248057 618751795 /nfs/dbraw/zinc/75/17/95/618751795.db2.gz NTTNZPBJOUCHFT-SECBINFHSA-N 1 1 299.168 3.342 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H](CF)C1 ZINC000895546890 619848563 /nfs/dbraw/zinc/84/85/63/619848563.db2.gz XEWHUNGVPMNRFY-WXJAXGNASA-N 1 1 278.327 3.290 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](CF)C2)cc1Cl ZINC000895573129 619851669 /nfs/dbraw/zinc/85/16/69/619851669.db2.gz NEICKDVFWNGDTI-SNVBAGLBSA-N 1 1 272.707 3.040 20 5 CGBDMO C[N@H+]1CCC[C@@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000054241211 620085599 /nfs/dbraw/zinc/08/55/99/620085599.db2.gz AEDMOJJKPPWRKR-JTQLQIEISA-N 1 1 283.759 3.002 20 5 CGBDMO CC[C@@H]([NH2+][C@@H](C)c1cn(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000925232557 620254662 /nfs/dbraw/zinc/25/46/62/620254662.db2.gz XPURYTMHJAFNGV-SMDDNHRTSA-N 1 1 288.351 3.130 20 5 CGBDMO C[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287397 621670420 /nfs/dbraw/zinc/67/04/20/621670420.db2.gz OWUBCQCZDARMKL-TZMCWYRMSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287397 621670424 /nfs/dbraw/zinc/67/04/24/621670424.db2.gz OWUBCQCZDARMKL-TZMCWYRMSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1C ZINC000816648866 625597555 /nfs/dbraw/zinc/59/75/55/625597555.db2.gz QDCICVSEFKTJIY-BDAKNGLRSA-N 1 1 254.717 3.088 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1C ZINC000816648866 625597560 /nfs/dbraw/zinc/59/75/60/625597560.db2.gz QDCICVSEFKTJIY-BDAKNGLRSA-N 1 1 254.717 3.088 20 5 CGBDMO CSCC[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172433385 623249193 /nfs/dbraw/zinc/24/91/93/623249193.db2.gz BEUYFPPARWUEID-SNVBAGLBSA-N 1 1 286.372 3.307 20 5 CGBDMO C[C@@H]1SCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1C ZINC000172406879 623249259 /nfs/dbraw/zinc/24/92/59/623249259.db2.gz PIQNSYPZAKDBJK-UWVGGRQHSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@@H]1SCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1C ZINC000172406879 623249267 /nfs/dbraw/zinc/24/92/67/623249267.db2.gz PIQNSYPZAKDBJK-UWVGGRQHSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@H]1C[C@@H]1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000111732580 623769967 /nfs/dbraw/zinc/76/99/67/623769967.db2.gz KXRZIRNZVZIWDS-VHSXEESVSA-N 1 1 268.744 3.336 20 5 CGBDMO CCC[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154444719 624289673 /nfs/dbraw/zinc/28/96/73/624289673.db2.gz MHJAWTWHFMMSSM-CJNGLKHVSA-N 1 1 292.379 3.140 20 5 CGBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CC1 ZINC000069238123 624812266 /nfs/dbraw/zinc/81/22/66/624812266.db2.gz OETKAFQHVQICOE-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000181515612 624868968 /nfs/dbraw/zinc/86/89/68/624868968.db2.gz VLPDDIGCNCZBKM-SNVBAGLBSA-N 1 1 290.294 3.290 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH2+][C@H](c2ccccn2)C2CC2)cs1 ZINC000922587155 626017424 /nfs/dbraw/zinc/01/74/24/626017424.db2.gz XIMVISRNHZSJIQ-AWEZNQCLSA-N 1 1 289.360 3.292 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H]1CCOC1 ZINC000761505138 627046392 /nfs/dbraw/zinc/04/63/92/627046392.db2.gz GLDHEEOGWPMZLR-LBPRGKRZSA-N 1 1 298.770 3.107 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+]Cc2cccc(F)n2)cc1[N+](=O)[O-] ZINC000773087457 627854411 /nfs/dbraw/zinc/85/44/11/627854411.db2.gz MVWKDUMRNKMCOV-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCCC1 ZINC000776277564 628188558 /nfs/dbraw/zinc/18/85/58/628188558.db2.gz QLQSOTXBQRAZJJ-INIZCTEOSA-N 1 1 292.379 3.283 20 5 CGBDMO CCC1(CC)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591935 628221820 /nfs/dbraw/zinc/22/18/20/628221820.db2.gz LRIKYZCDLYMYJJ-HNNXBMFYSA-N 1 1 292.379 3.140 20 5 CGBDMO CCCC[N@@H+](Cn1cc([N+](=O)[O-])c(C)n1)C1CCCCC1 ZINC000779858545 628438504 /nfs/dbraw/zinc/43/85/04/628438504.db2.gz IQUIIGBFDVVRAR-UHFFFAOYSA-N 1 1 294.399 3.492 20 5 CGBDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000782915725 628668380 /nfs/dbraw/zinc/66/83/80/628668380.db2.gz NMQZQDQNBZFEPH-VIFPVBQESA-N 1 1 295.726 3.119 20 5 CGBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC(C)(C)C1 ZINC000796529915 629795485 /nfs/dbraw/zinc/79/54/85/629795485.db2.gz CSPSIZSQNPCFOG-CABCVRRESA-N 1 1 292.379 3.139 20 5 CGBDMO C[C@@H]1CC(C)(C)C[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000840182708 630763363 /nfs/dbraw/zinc/76/33/63/630763363.db2.gz ISRLGKOAWTXAAD-LLVKDONJSA-N 1 1 288.351 3.022 20 5 CGBDMO CC(C)CCC(N)=[NH+]OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000842648701 631239876 /nfs/dbraw/zinc/23/98/76/631239876.db2.gz YOPXCZDYZLTJTP-UHFFFAOYSA-N 1 1 283.303 3.169 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)(C)C ZINC000812795199 631313649 /nfs/dbraw/zinc/31/36/49/631313649.db2.gz XOQLQWUXWHWHMR-UHFFFAOYSA-N 1 1 295.339 3.371 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000122597148 633445898 /nfs/dbraw/zinc/44/58/98/633445898.db2.gz QRWVZYYKIVMVEW-DGCLKSJQSA-N 1 1 295.770 3.287 20 5 CGBDMO C[N@@H+](CC1=CCSC1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000827805851 633520769 /nfs/dbraw/zinc/52/07/69/633520769.db2.gz LPBRMPIZALRGOV-UHFFFAOYSA-N 1 1 298.795 3.353 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)Cc1ccncc1 ZINC000877318004 635025992 /nfs/dbraw/zinc/02/59/92/635025992.db2.gz JCEUOJDHPXYBQS-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)Cc1ccncc1 ZINC000877318004 635025999 /nfs/dbraw/zinc/02/59/99/635025999.db2.gz JCEUOJDHPXYBQS-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)cc1[N+](=O)[O-] ZINC000877738080 635170245 /nfs/dbraw/zinc/17/02/45/635170245.db2.gz JMAOJWAOKSEFSX-ZIAGYGMSSA-N 1 1 292.404 3.088 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000129727057 636358017 /nfs/dbraw/zinc/35/80/17/636358017.db2.gz LVZUVPVLASAYGZ-MNOVXSKESA-N 1 1 266.316 3.212 20 5 CGBDMO CC[C@@H]([NH2+]Cc1cnoc1C)c1cccc([N+](=O)[O-])c1 ZINC000129944246 636399852 /nfs/dbraw/zinc/39/98/52/636399852.db2.gz XJSUECQKRVSMBH-CQSZACIVSA-N 1 1 275.308 3.132 20 5 CGBDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000130728442 636504576 /nfs/dbraw/zinc/50/45/76/636504576.db2.gz QXHQDOIMBOBYPC-RISCZKNCSA-N 1 1 294.399 3.266 20 5 CGBDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000136108238 637287805 /nfs/dbraw/zinc/28/78/05/637287805.db2.gz SMZXITMQGUNSDX-JQWIXIFHSA-N 1 1 266.316 3.497 20 5 CGBDMO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885988012 637342588 /nfs/dbraw/zinc/34/25/88/637342588.db2.gz DHGMLHAGQBOCIR-LBPRGKRZSA-N 1 1 263.341 3.000 20 5 CGBDMO CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852711854 637698553 /nfs/dbraw/zinc/69/85/53/637698553.db2.gz JNKUWUGTXFKHCU-BJJXKVORSA-N 1 1 292.379 3.281 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886834615 637711911 /nfs/dbraw/zinc/71/19/11/637711911.db2.gz AYCLVFYJPIILCT-XPKDYRNWSA-N 1 1 290.363 3.157 20 5 CGBDMO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000112694812 638109234 /nfs/dbraw/zinc/10/92/34/638109234.db2.gz WWWOJFBNXBOLGH-HNNXBMFYSA-N 1 1 288.351 3.078 20 5 CGBDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000112694812 638109243 /nfs/dbraw/zinc/10/92/43/638109243.db2.gz WWWOJFBNXBOLGH-HNNXBMFYSA-N 1 1 288.351 3.078 20 5 CGBDMO C[C@@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000925727662 638584458 /nfs/dbraw/zinc/58/44/58/638584458.db2.gz BHNFBSSTNDQYOW-FRRDWIJNSA-N 1 1 291.395 3.151 20 5 CGBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000193415755 640456368 /nfs/dbraw/zinc/45/63/68/640456368.db2.gz SCQIWPLUXWEWEO-UHFFFAOYSA-N 1 1 266.341 3.094 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccnc1Cl ZINC000089513316 640649165 /nfs/dbraw/zinc/64/91/65/640649165.db2.gz NVSQMDNQXZXONP-SNVBAGLBSA-N 1 1 291.738 3.494 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246215299 640665257 /nfs/dbraw/zinc/66/52/57/640665257.db2.gz CVIOWJJXELZVET-DVOMOZLQSA-N 1 1 292.379 3.139 20 5 CGBDMO CC[N@@H+](Cc1ccncc1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254551093 806447467 /nfs/dbraw/zinc/44/74/67/806447467.db2.gz XSTOHFOBJDFFPL-AWEZNQCLSA-N 1 1 299.374 3.443 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1nccs1 ZINC001254559509 806450077 /nfs/dbraw/zinc/45/00/77/806450077.db2.gz KFXARHGUCBGBNT-LLVKDONJSA-N 1 1 291.376 3.114 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1nccs1 ZINC001254559509 806450079 /nfs/dbraw/zinc/45/00/79/806450079.db2.gz KFXARHGUCBGBNT-LLVKDONJSA-N 1 1 291.376 3.114 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC2CCC1CC2 ZINC001254560609 806451021 /nfs/dbraw/zinc/45/10/21/806451021.db2.gz WMMFHLLYUISVRA-DNOWBOINSA-N 1 1 274.364 3.400 20 5 CGBDMO Cc1cccc2c1C[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254596827 806457334 /nfs/dbraw/zinc/45/73/34/806457334.db2.gz GCDSBRWEKWHRDU-QGZVFWFLSA-N 1 1 294.354 3.386 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](CF)C2)ccc1Cl ZINC000711477206 800063302 /nfs/dbraw/zinc/06/33/02/800063302.db2.gz PVTXKWGNKATAES-SNVBAGLBSA-N 1 1 272.707 3.040 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](CF)C2)ccc1Cl ZINC000711477206 800063312 /nfs/dbraw/zinc/06/33/12/800063312.db2.gz PVTXKWGNKATAES-SNVBAGLBSA-N 1 1 272.707 3.040 20 5 CGBDMO Cc1coc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000718088346 800210779 /nfs/dbraw/zinc/21/07/79/800210779.db2.gz ZHWHQKXATNCSKJ-UHFFFAOYSA-N 1 1 260.293 3.094 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886830121 800546929 /nfs/dbraw/zinc/54/69/29/800546929.db2.gz MIWIMYMCCXRDHN-DVOMOZLQSA-N 1 1 290.363 3.157 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001168424941 807410424 /nfs/dbraw/zinc/41/04/24/807410424.db2.gz YNESSBWZWCUDNB-LBPRGKRZSA-N 1 1 292.379 3.471 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCC[C@H]2c2cccnc2)C1 ZINC001169021874 807554438 /nfs/dbraw/zinc/55/44/38/807554438.db2.gz ASWRGDVIOMMHSX-KBMXLJTQSA-N 1 1 289.379 3.054 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H](c3cccc(F)c3)C2)C1 ZINC001169038164 807556835 /nfs/dbraw/zinc/55/68/35/807556835.db2.gz WJJNSBCDKXFRMS-INWMFGNUSA-N 1 1 292.354 3.060 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)C1 ZINC001169042144 807556859 /nfs/dbraw/zinc/55/68/59/807556859.db2.gz DDVYIDKLLMXOMY-APIJFGDWSA-N 1 1 286.375 3.019 20 5 CGBDMO CC[N@@H+](Cc1cccc(F)c1F)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047019 807559163 /nfs/dbraw/zinc/55/91/63/807559163.db2.gz PQQYCQWUEJEOND-WCQYABFASA-N 1 1 298.333 3.232 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001173227105 808541732 /nfs/dbraw/zinc/54/17/32/808541732.db2.gz OCVXFYMDCWBZDQ-BXUZGUMPSA-N 1 1 296.317 3.257 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](CF)C1 ZINC001173228853 808541767 /nfs/dbraw/zinc/54/17/67/808541767.db2.gz ZKEYYIKFCDWFGZ-TZMCWYRMSA-N 1 1 280.343 3.207 20 5 CGBDMO C[N@H+]1CCc2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2C1 ZINC001174480840 809035725 /nfs/dbraw/zinc/03/57/25/809035725.db2.gz VYCROTJURPKSDY-UHFFFAOYSA-N 1 1 283.331 3.326 20 5 CGBDMO Cc1[nH+]c2c(Nc3cc(O)cc([N+](=O)[O-])c3)cccn2c1C ZINC001199828176 811600925 /nfs/dbraw/zinc/60/09/25/811600925.db2.gz BVCQAVICJJLSLE-UHFFFAOYSA-N 1 1 298.302 3.309 20 5 CGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001226762934 817457453 /nfs/dbraw/zinc/45/74/53/817457453.db2.gz YLFZJDBZMKRVRZ-GFCCVEGCSA-N 1 1 298.770 3.500 20 5 CGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001228758932 818000272 /nfs/dbraw/zinc/00/02/72/818000272.db2.gz OETDLZCJIIMPSG-GFCCVEGCSA-N 1 1 298.770 3.500 20 5 CGBDMO C[C@H]1CC[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232217889 818283335 /nfs/dbraw/zinc/28/33/35/818283335.db2.gz BFJONXGEIUSOAI-LBPRGKRZSA-N 1 1 263.344 3.377 20 5 CGBDMO C[C@H](Oc1ccc2[nH+]ccn2c1)c1ccccc1[N+](=O)[O-] ZINC001233755976 818699615 /nfs/dbraw/zinc/69/96/15/818699615.db2.gz UWFYARBZPJZUKG-NSHDSACASA-N 1 1 283.287 3.383 20 5 CGBDMO C[N@H+]1CCC[C@H](Oc2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC001230917171 928074987 /nfs/dbraw/zinc/07/49/87/928074987.db2.gz HEVODFYUNLBMAH-JTQLQIEISA-N 1 1 284.743 3.111 20 5 CGBDMO CCC[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC001308135602 928813420 /nfs/dbraw/zinc/81/34/20/928813420.db2.gz RBBVBUWOYMIIPY-CYBMUJFWSA-N 1 1 278.352 3.368 20 5 CGBDMO Cc1cc(OC2CC[NH+](CCF)CC2)cc(C)c1[N+](=O)[O-] ZINC001229471192 932157296 /nfs/dbraw/zinc/15/72/96/932157296.db2.gz XTHIXWRZPGKNOS-UHFFFAOYSA-N 1 1 296.342 3.024 20 5 CGBDMO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1CC[N@H+](C(C)C)C1 ZINC001229882314 932497376 /nfs/dbraw/zinc/49/73/76/932497376.db2.gz LPZBXFRDFSXCHL-CYBMUJFWSA-N 1 1 278.352 3.073 20 5 CGBDMO Cc1cc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc([N+](=O)[O-])c1C ZINC001230471971 932576193 /nfs/dbraw/zinc/57/61/93/932576193.db2.gz WWERKRBBTAPZJY-AGGWBTHJSA-N 1 1 290.363 3.216 20 5 CGBDMO CCCC[N@@H+](CCOC)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001461982352 937611115 /nfs/dbraw/zinc/61/11/15/937611115.db2.gz JBTQNPAKUOWKOY-UHFFFAOYSA-N 1 1 294.395 3.460 20 5 CGBDMO CC(C)[N@H+]1CC[C@H](Oc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230915521 932641840 /nfs/dbraw/zinc/64/18/40/932641840.db2.gz QVTLNIZDIYQPPH-JTQLQIEISA-N 1 1 284.743 3.110 20 5 CGBDMO C[C@H](CNc1c(F)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC001306932373 932897214 /nfs/dbraw/zinc/89/72/14/932897214.db2.gz UHQRFTRVXJECJM-VXGBXAGGSA-N 1 1 295.358 3.409 20 5 CGBDMO CC(C)CCC[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001308810553 933182203 /nfs/dbraw/zinc/18/22/03/933182203.db2.gz UQZVFTCKMAUTCT-UHFFFAOYSA-N 1 1 278.352 3.094 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1ccc(F)cc1)C2 ZINC001323568518 934408220 /nfs/dbraw/zinc/40/82/20/934408220.db2.gz SXJLFEIYACKJRJ-UHFFFAOYSA-N 1 1 286.306 3.292 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1ccc(F)cc1)C2 ZINC001323568518 934408225 /nfs/dbraw/zinc/40/82/25/934408225.db2.gz SXJLFEIYACKJRJ-UHFFFAOYSA-N 1 1 286.306 3.292 20 5 CGBDMO COc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC001335471837 936148048 /nfs/dbraw/zinc/14/80/48/936148048.db2.gz RXUAKXXCYJVKCY-LLVKDONJSA-N 1 1 290.319 3.356 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)CCSC ZINC000126452044 187241233 /nfs/dbraw/zinc/24/12/33/187241233.db2.gz ZXOGJYBQLIXDRT-LLVKDONJSA-N 1 1 298.408 3.177 20 5 CGBDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])on1 ZINC000047273555 345050159 /nfs/dbraw/zinc/05/01/59/345050159.db2.gz FPSOROUWUKZFRX-CQSZACIVSA-N 1 1 287.319 3.228 20 5 CGBDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccccc2[N+](=O)[O-])on1 ZINC000047273555 345050160 /nfs/dbraw/zinc/05/01/60/345050160.db2.gz FPSOROUWUKZFRX-CQSZACIVSA-N 1 1 287.319 3.228 20 5 CGBDMO CC(C)[N@H+]1CC[C@H](CNc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000050352101 345081435 /nfs/dbraw/zinc/08/14/35/345081435.db2.gz YAKIEPLNMZJLBC-LLVKDONJSA-N 1 1 297.786 3.390 20 5 CGBDMO COc1ccc(C[N@@H+](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000051383023 345088985 /nfs/dbraw/zinc/08/89/85/345088985.db2.gz STUNIBHESWTXQA-UHFFFAOYSA-N 1 1 292.360 3.297 20 5 CGBDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)on1 ZINC000052009579 345095672 /nfs/dbraw/zinc/09/56/72/345095672.db2.gz QUTOIHHXBNJARH-CQSZACIVSA-N 1 1 287.319 3.228 20 5 CGBDMO Cc1cc([C@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)on1 ZINC000052009579 345095675 /nfs/dbraw/zinc/09/56/75/345095675.db2.gz QUTOIHHXBNJARH-CQSZACIVSA-N 1 1 287.319 3.228 20 5 CGBDMO CC(C)[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000063738886 345252654 /nfs/dbraw/zinc/25/26/54/345252654.db2.gz QKBABPAOQGVACV-GFCCVEGCSA-N 1 1 295.358 3.266 20 5 CGBDMO CSCCC[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000075597884 345514393 /nfs/dbraw/zinc/51/43/93/345514393.db2.gz JUKPUGUJGMPFES-NSHDSACASA-N 1 1 268.382 3.341 20 5 CGBDMO O=[N+]([O-])c1ccccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000077994971 345588115 /nfs/dbraw/zinc/58/81/15/345588115.db2.gz FGQGSYJUQIJFAG-UHFFFAOYSA-N 1 1 289.379 3.050 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000177549664 232370302 /nfs/dbraw/zinc/37/03/02/232370302.db2.gz VAGZVHOBRKTSQS-OKILXGFUSA-N 1 1 260.337 3.217 20 5 CGBDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000584808168 346716007 /nfs/dbraw/zinc/71/60/07/346716007.db2.gz FUMDZRZVPYLZCE-CYBMUJFWSA-N 1 1 282.409 3.477 20 5 CGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000583956722 346681103 /nfs/dbraw/zinc/68/11/03/346681103.db2.gz TZOLZZUGCCXTRA-LBPRGKRZSA-N 1 1 295.383 3.136 20 5 CGBDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc([N+](=O)[O-])cc1C ZINC000594999537 347253176 /nfs/dbraw/zinc/25/31/76/347253176.db2.gz BENXXVNVXYTYGO-UHFFFAOYSA-N 1 1 293.411 3.113 20 5 CGBDMO CCCN(C)CC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000594999537 347253179 /nfs/dbraw/zinc/25/31/79/347253179.db2.gz BENXXVNVXYTYGO-UHFFFAOYSA-N 1 1 293.411 3.113 20 5 CGBDMO CC(C)CC[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595293249 347287534 /nfs/dbraw/zinc/28/75/34/347287534.db2.gz ILTWEOVLLFXDQX-UHFFFAOYSA-N 1 1 254.305 3.212 20 5 CGBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000595297143 347288521 /nfs/dbraw/zinc/28/85/21/347288521.db2.gz BNNQRDMHVFHVTH-UHFFFAOYSA-N 1 1 278.327 3.354 20 5 CGBDMO CC(C)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595337595 347293803 /nfs/dbraw/zinc/29/38/03/347293803.db2.gz BJWAXAFJGQRACA-LLVKDONJSA-N 1 1 266.316 3.212 20 5 CGBDMO CC(C)[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCC1 ZINC000595378380 347296781 /nfs/dbraw/zinc/29/67/81/347296781.db2.gz SIRXNSXYVBREJO-UHFFFAOYSA-N 1 1 266.316 3.497 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)Nc1cc(C)cc[nH+]1 ZINC000595028648 347262517 /nfs/dbraw/zinc/26/25/17/347262517.db2.gz WOVIYEQTDWZTAS-LLVKDONJSA-N 1 1 287.319 3.480 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000596307324 347413851 /nfs/dbraw/zinc/41/38/51/347413851.db2.gz KPBNSOFCZFOZQE-LLVKDONJSA-N 1 1 295.358 3.266 20 5 CGBDMO O=[N+]([O-])c1ccsc1N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000596480522 347465378 /nfs/dbraw/zinc/46/53/78/347465378.db2.gz RCEQCNBGNAXHJP-NSHDSACASA-N 1 1 295.408 3.475 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC1=CCSC1 ZINC000597243866 347562274 /nfs/dbraw/zinc/56/22/74/347562274.db2.gz IJQMAIKTLWIARO-UHFFFAOYSA-N 1 1 278.377 3.008 20 5 CGBDMO Cc1ccc(C[N@@H+](C)CC2=CCSC2)cc1[N+](=O)[O-] ZINC000597243198 347562553 /nfs/dbraw/zinc/56/25/53/347562553.db2.gz HGHVWCOXKILSMU-UHFFFAOYSA-N 1 1 278.377 3.008 20 5 CGBDMO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)C1(F)F ZINC000599511633 347748988 /nfs/dbraw/zinc/74/89/88/347748988.db2.gz BKLOMQXRHDNUDO-TXEJJXNPSA-N 1 1 298.333 3.360 20 5 CGBDMO Cc1c(C[N@@H+]2CCc3c(O)cccc3C2)cccc1[N+](=O)[O-] ZINC000599648135 347761496 /nfs/dbraw/zinc/76/14/96/347761496.db2.gz UHUNVIBQBPYLHI-UHFFFAOYSA-N 1 1 298.342 3.167 20 5 CGBDMO Cc1c(C[N@H+]2CCc3c(O)cccc3C2)cccc1[N+](=O)[O-] ZINC000599648135 347761498 /nfs/dbraw/zinc/76/14/98/347761498.db2.gz UHUNVIBQBPYLHI-UHFFFAOYSA-N 1 1 298.342 3.167 20 5 CGBDMO CCCCC[C@@H]1CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602783788 348028391 /nfs/dbraw/zinc/02/83/91/348028391.db2.gz MIYWIURYPYLQNP-CQSZACIVSA-N 1 1 294.399 3.144 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(CCF)CC2)cs1 ZINC000602735273 348021847 /nfs/dbraw/zinc/02/18/47/348021847.db2.gz VXFVNIDWQUUWHI-UHFFFAOYSA-N 1 1 272.345 3.228 20 5 CGBDMO C[C@H](CNc1ccc([N+](=O)[O-])s1)[N@H+]1CCC[C@H](C)C1 ZINC000604409297 348119577 /nfs/dbraw/zinc/11/95/77/348119577.db2.gz RXJNPWWOSBOQQO-WDEREUQCSA-N 1 1 283.397 3.189 20 5 CGBDMO CC(C)[N@@H+](C)CC1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000609560416 348346316 /nfs/dbraw/zinc/34/63/16/348346316.db2.gz RFZAEKFEOIEGDM-UHFFFAOYSA-N 1 1 297.424 3.213 20 5 CGBDMO Cc1ccc(NCC[NH+]2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000610468540 348383937 /nfs/dbraw/zinc/38/39/37/348383937.db2.gz TVNVWAHXIMQNCH-UHFFFAOYSA-N 1 1 297.358 3.331 20 5 CGBDMO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000611133234 348424476 /nfs/dbraw/zinc/42/44/76/348424476.db2.gz VBICBEGRBRJVJM-LBPRGKRZSA-N 1 1 289.360 3.255 20 5 CGBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000611133234 348424478 /nfs/dbraw/zinc/42/44/78/348424478.db2.gz VBICBEGRBRJVJM-LBPRGKRZSA-N 1 1 289.360 3.255 20 5 CGBDMO C[C@@H](CNc1sccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000611411750 348448102 /nfs/dbraw/zinc/44/81/02/348448102.db2.gz YQYDBYUESVIMLL-MNOVXSKESA-N 1 1 283.397 3.331 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501611 348456714 /nfs/dbraw/zinc/45/67/14/348456714.db2.gz FRARXQZCITUGFB-NTZNESFSSA-N 1 1 266.316 3.336 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501611 348456717 /nfs/dbraw/zinc/45/67/17/348456717.db2.gz FRARXQZCITUGFB-NTZNESFSSA-N 1 1 266.316 3.336 20 5 CGBDMO CCO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000611783192 348476066 /nfs/dbraw/zinc/47/60/66/348476066.db2.gz FRRGAEPZKBLSHC-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000611783192 348476069 /nfs/dbraw/zinc/47/60/69/348476069.db2.gz FRRGAEPZKBLSHC-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC12CCC2 ZINC000366759596 234190286 /nfs/dbraw/zinc/19/02/86/234190286.db2.gz QQMZGZBDCABZHE-UHFFFAOYSA-N 1 1 276.336 3.122 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368081352 234279510 /nfs/dbraw/zinc/27/95/10/234279510.db2.gz MBBISEDNJSLASC-ZWNOBZJWSA-N 1 1 264.300 3.108 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000368081352 234279512 /nfs/dbraw/zinc/27/95/12/234279512.db2.gz MBBISEDNJSLASC-ZWNOBZJWSA-N 1 1 264.300 3.108 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1CC(F)(F)C1 ZINC000295169426 199384215 /nfs/dbraw/zinc/38/42/15/199384215.db2.gz ICUNWGLMLIDDGC-UHFFFAOYSA-N 1 1 284.306 3.114 20 5 CGBDMO C[C@H](c1cccnc1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000125605430 138383309 /nfs/dbraw/zinc/38/33/09/138383309.db2.gz YHLKONKJQHRLDG-GFCCVEGCSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000125605430 138383310 /nfs/dbraw/zinc/38/33/10/138383310.db2.gz YHLKONKJQHRLDG-GFCCVEGCSA-N 1 1 271.320 3.183 20 5 CGBDMO Cc1c(C[N@H+](C)[C@H](CO)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000451778430 240357837 /nfs/dbraw/zinc/35/78/37/240357837.db2.gz JXRZRIDPVVSFSY-AWEZNQCLSA-N 1 1 294.395 3.132 20 5 CGBDMO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nn1C ZINC000297470115 200202172 /nfs/dbraw/zinc/20/21/72/200202172.db2.gz YMPJNRBXELCIKU-NWDGAFQWSA-N 1 1 288.351 3.049 20 5 CGBDMO O=[N+]([O-])c1ccccc1C=CCNc1cc(C2CC2)cc[nH+]1 ZINC000353078565 219849782 /nfs/dbraw/zinc/84/97/82/219849782.db2.gz ICEMZGHXEFTBLN-HWKANZROSA-N 1 1 295.342 3.414 20 5 CGBDMO Cc1c(C[N@H+](Cc2ccccn2)C2CC2)cccc1[N+](=O)[O-] ZINC000180864755 189280430 /nfs/dbraw/zinc/28/04/30/189280430.db2.gz PALZMZMUBQPDHC-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1c(C[N@@H+](Cc2ccccn2)C2CC2)cccc1[N+](=O)[O-] ZINC000180864755 189280431 /nfs/dbraw/zinc/28/04/31/189280431.db2.gz PALZMZMUBQPDHC-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1[nH+]c2cc(Nc3ccc([N+](=O)[O-])c(C)n3)ccc2n1C ZINC000301688006 201139578 /nfs/dbraw/zinc/13/95/78/201139578.db2.gz XOZAWYVRAINEEJ-UHFFFAOYSA-N 1 1 297.318 3.237 20 5 CGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](F)C2)o1 ZINC000449388087 239373145 /nfs/dbraw/zinc/37/31/45/239373145.db2.gz NWLDUZTZTIRCSE-NSHDSACASA-N 1 1 290.294 3.399 20 5 CGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H](F)C2)o1 ZINC000449388087 239373148 /nfs/dbraw/zinc/37/31/48/239373148.db2.gz NWLDUZTZTIRCSE-NSHDSACASA-N 1 1 290.294 3.399 20 5 CGBDMO CS[C@@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000451309824 240271199 /nfs/dbraw/zinc/27/11/99/240271199.db2.gz DUGAPSXRNVQKMB-ZWNOBZJWSA-N 1 1 266.366 3.093 20 5 CGBDMO CC(C)OCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451576522 240330285 /nfs/dbraw/zinc/33/02/85/240330285.db2.gz UFWOZGADJKQWMO-HNNXBMFYSA-N 1 1 292.379 3.199 20 5 CGBDMO Cc1c(C[N@H+]2CCSC[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000451643814 240340376 /nfs/dbraw/zinc/34/03/76/240340376.db2.gz AAGRUJQZRPNBMG-HNNXBMFYSA-N 1 1 292.404 3.231 20 5 CGBDMO CCC[N@@H+](C)C[C@H]1CCN(c2cccc(C)c2[N+](=O)[O-])C1 ZINC000275400260 193021764 /nfs/dbraw/zinc/02/17/64/193021764.db2.gz DQDOQKBIGXODTA-CQSZACIVSA-N 1 1 291.395 3.071 20 5 CGBDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000015030074 368689273 /nfs/dbraw/zinc/68/92/73/368689273.db2.gz YTQPRVYHQILJJO-MRXNPFEDSA-N 1 1 285.347 3.270 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(F)cc1 ZINC000036722102 369026122 /nfs/dbraw/zinc/02/61/22/369026122.db2.gz HNGQAPBOUVURML-UHFFFAOYSA-N 1 1 290.294 3.032 20 5 CGBDMO CC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000494183788 244266828 /nfs/dbraw/zinc/26/68/28/244266828.db2.gz VYSNMJICCPIVGG-UHFFFAOYSA-N 1 1 256.733 3.479 20 5 CGBDMO CC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000494183788 244266832 /nfs/dbraw/zinc/26/68/32/244266832.db2.gz VYSNMJICCPIVGG-UHFFFAOYSA-N 1 1 256.733 3.479 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H]1CCSC1)C1CC1 ZINC000495068945 244352645 /nfs/dbraw/zinc/35/26/45/244352645.db2.gz RHPIVEPIOHYMGU-LBPRGKRZSA-N 1 1 292.404 3.312 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000060369987 369586296 /nfs/dbraw/zinc/58/62/96/369586296.db2.gz YLUFHUOBUZIKGM-INIZCTEOSA-N 1 1 297.358 3.281 20 5 CGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000130505728 371039897 /nfs/dbraw/zinc/03/98/97/371039897.db2.gz OSCXCSPUSTYQQV-BPJJOFIESA-N 1 1 278.377 3.045 20 5 CGBDMO CC[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000133262901 371240406 /nfs/dbraw/zinc/24/04/06/371240406.db2.gz KRWIBNBKESZBGX-CYBMUJFWSA-N 1 1 277.368 3.047 20 5 CGBDMO COc1ccc(C[NH2+][C@H](C)c2ccoc2)cc1[N+](=O)[O-] ZINC000134067986 371299973 /nfs/dbraw/zinc/29/99/73/371299973.db2.gz JYKDLDYDGJLQHG-SNVBAGLBSA-N 1 1 276.292 3.047 20 5 CGBDMO Cc1cnc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000134912861 371375552 /nfs/dbraw/zinc/37/55/52/371375552.db2.gz NKMKGCZEGAVOFO-JTQLQIEISA-N 1 1 277.349 3.211 20 5 CGBDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136915752 371487327 /nfs/dbraw/zinc/48/73/27/371487327.db2.gz FGZWXQKRKZRDBA-RCBQFDQVSA-N 1 1 292.379 3.139 20 5 CGBDMO CCSCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153275257 371762228 /nfs/dbraw/zinc/76/22/28/371762228.db2.gz CCAOLUMADAHGER-UHFFFAOYSA-N 1 1 280.393 3.312 20 5 CGBDMO CC(C)C(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000289741812 371806913 /nfs/dbraw/zinc/80/69/13/371806913.db2.gz HBSJFZIJWIHGDV-UHFFFAOYSA-N 1 1 290.363 3.174 20 5 CGBDMO Cc1cc(N[C@H](C)C2=CC[N@@H+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000292783362 372209989 /nfs/dbraw/zinc/20/99/89/372209989.db2.gz XNPOZUVBLMNKLW-LLVKDONJSA-N 1 1 293.342 3.105 20 5 CGBDMO CC(C)[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000293325277 372355929 /nfs/dbraw/zinc/35/59/29/372355929.db2.gz XTAVVFWLPDFBKM-BBRMVZONSA-N 1 1 292.379 3.403 20 5 CGBDMO CCc1nocc1C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000293538866 372406782 /nfs/dbraw/zinc/40/67/82/372406782.db2.gz XTIQPOMISLXAJG-NSHDSACASA-N 1 1 289.335 3.338 20 5 CGBDMO CCc1nocc1C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000293538866 372406784 /nfs/dbraw/zinc/40/67/84/372406784.db2.gz XTIQPOMISLXAJG-NSHDSACASA-N 1 1 289.335 3.338 20 5 CGBDMO CCCC[N@H+](C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163509493 372474642 /nfs/dbraw/zinc/47/46/42/372474642.db2.gz QZIQEPMBFLVMFL-AWEZNQCLSA-N 1 1 293.411 3.286 20 5 CGBDMO CCCC[N@@H+](C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163509493 372474645 /nfs/dbraw/zinc/47/46/45/372474645.db2.gz QZIQEPMBFLVMFL-AWEZNQCLSA-N 1 1 293.411 3.286 20 5 CGBDMO CCCC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000344436042 217191006 /nfs/dbraw/zinc/19/10/06/217191006.db2.gz PHFHNFYKADGRJX-AWEZNQCLSA-N 1 1 292.383 3.056 20 5 CGBDMO Cc1ccc(NC[C@@H]2CCCC[N@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000433808439 372636166 /nfs/dbraw/zinc/63/61/66/372636166.db2.gz PLFIAMUWESCDFR-AWEZNQCLSA-N 1 1 289.379 3.332 20 5 CGBDMO Cc1ccncc1C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000353383626 220053813 /nfs/dbraw/zinc/05/38/13/220053813.db2.gz RTTALTUMQWOSFY-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1ccncc1C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000353383626 220053816 /nfs/dbraw/zinc/05/38/16/220053816.db2.gz RTTALTUMQWOSFY-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000171916641 372851464 /nfs/dbraw/zinc/85/14/64/372851464.db2.gz VZUATXIHNCXVPJ-LBPRGKRZSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000171916641 372851468 /nfs/dbraw/zinc/85/14/68/372851468.db2.gz VZUATXIHNCXVPJ-LBPRGKRZSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000171921434 372853841 /nfs/dbraw/zinc/85/38/41/372853841.db2.gz QUGKFFGSYAPGMI-GFCCVEGCSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@@H]1Cc2c([nH+]cn2Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000296066195 373009972 /nfs/dbraw/zinc/00/99/72/373009972.db2.gz UZTWQPVNDQISDF-NWDGAFQWSA-N 1 1 285.347 3.210 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000441435690 373013936 /nfs/dbraw/zinc/01/39/36/373013936.db2.gz FILQDNJPZQTCEC-GDBMZVCRSA-N 1 1 274.364 3.402 20 5 CGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000441441588 373014116 /nfs/dbraw/zinc/01/41/16/373014116.db2.gz XGLHSGVZUCOXSM-CZUORRHYSA-N 1 1 290.363 3.238 20 5 CGBDMO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000296087079 373019712 /nfs/dbraw/zinc/01/97/12/373019712.db2.gz SWXFAMMQMQVXPO-YOGCLGLASA-N 1 1 293.342 3.079 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1CCC1 ZINC000175222850 373434565 /nfs/dbraw/zinc/43/45/65/373434565.db2.gz NTRIILBJSFNENB-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CCC[N@H+](C)C1 ZINC000302835421 373980604 /nfs/dbraw/zinc/98/06/04/373980604.db2.gz VHTOUQYLIZGQAH-LLVKDONJSA-N 1 1 297.786 3.310 20 5 CGBDMO CC1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311424889 374240665 /nfs/dbraw/zinc/24/06/65/374240665.db2.gz LNKKSRVLKDYLTD-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000311393400 374240951 /nfs/dbraw/zinc/24/09/51/374240951.db2.gz DDOBFKQHPVTYBR-AWEZNQCLSA-N 1 1 266.316 3.354 20 5 CGBDMO Cc1occc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183295713 374397055 /nfs/dbraw/zinc/39/70/55/374397055.db2.gz RBMQLKYIABUARX-UHFFFAOYSA-N 1 1 274.320 3.437 20 5 CGBDMO Cc1occc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183295713 374397064 /nfs/dbraw/zinc/39/70/64/374397064.db2.gz RBMQLKYIABUARX-UHFFFAOYSA-N 1 1 274.320 3.437 20 5 CGBDMO CC[C@H](C)C[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184212904 374503568 /nfs/dbraw/zinc/50/35/68/374503568.db2.gz ZHGMSMZIZBYQLR-JTQLQIEISA-N 1 1 284.331 3.220 20 5 CGBDMO CCOC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000459719018 374817541 /nfs/dbraw/zinc/81/75/41/374817541.db2.gz RPEZSFMFWDWOCJ-GFCCVEGCSA-N 1 1 296.342 3.125 20 5 CGBDMO CCOC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000459719018 374817546 /nfs/dbraw/zinc/81/75/46/374817546.db2.gz RPEZSFMFWDWOCJ-GFCCVEGCSA-N 1 1 296.342 3.125 20 5 CGBDMO Cc1c(C[N@H+]2CCS[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000464778023 374896865 /nfs/dbraw/zinc/89/68/65/374896865.db2.gz WSWAHAISBGXQOC-HNNXBMFYSA-N 1 1 294.420 3.477 20 5 CGBDMO Cc1ccc(C[N@@H+]2CCSC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000190844262 375544085 /nfs/dbraw/zinc/54/40/85/375544085.db2.gz BUKWAEHPUGRTMT-LLVKDONJSA-N 1 1 280.393 3.088 20 5 CGBDMO COc1cc(C[N@@H+](CC2CC2)C(C)C)ccc1[N+](=O)[O-] ZINC000539808593 376333334 /nfs/dbraw/zinc/33/33/34/376333334.db2.gz GQCMHSSWVPSILD-UHFFFAOYSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000541073101 376419233 /nfs/dbraw/zinc/41/92/33/376419233.db2.gz YQNIYONJFSPZQJ-ZJUUUORDSA-N 1 1 268.744 3.479 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@H]1CC(C)C ZINC000541772798 376479975 /nfs/dbraw/zinc/47/99/75/376479975.db2.gz GVMXXVZNQYQVSR-MRXNPFEDSA-N 1 1 292.379 3.150 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000541772798 376479986 /nfs/dbraw/zinc/47/99/86/376479986.db2.gz GVMXXVZNQYQVSR-MRXNPFEDSA-N 1 1 292.379 3.150 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000541771024 376481746 /nfs/dbraw/zinc/48/17/46/376481746.db2.gz LBUYFUDIPQMSHN-DGCLKSJQSA-N 1 1 262.353 3.381 20 5 CGBDMO COc1ccc(C[N@@H+](C)[C@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000339031234 376636644 /nfs/dbraw/zinc/63/66/44/376636644.db2.gz BNJRBKGAQMFFCW-AAEUAGOBSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@@H](NCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245463664 376823323 /nfs/dbraw/zinc/82/33/23/376823323.db2.gz OXALDIYOOSIOSX-ZIAGYGMSSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@@H](NCC[N@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245463664 376823326 /nfs/dbraw/zinc/82/33/26/376823326.db2.gz OXALDIYOOSIOSX-ZIAGYGMSSA-N 1 1 291.395 3.120 20 5 CGBDMO CCCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000339795990 376852053 /nfs/dbraw/zinc/85/20/53/376852053.db2.gz MWVSLZVTOZDCKR-UHFFFAOYSA-N 1 1 294.399 3.263 20 5 CGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC(F)(F)C1 ZINC000340281355 376980135 /nfs/dbraw/zinc/98/01/35/376980135.db2.gz XJKYZCLBYIWLIP-NSHDSACASA-N 1 1 284.306 3.462 20 5 CGBDMO C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000246429361 377028988 /nfs/dbraw/zinc/02/89/88/377028988.db2.gz MVZJAASWHRAVCT-JOVKLMRISA-N 1 1 260.337 3.338 20 5 CGBDMO CC[C@]1(C)C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000248986615 377438005 /nfs/dbraw/zinc/43/80/05/377438005.db2.gz WLCAPXMYWDMSIJ-IUODEOHRSA-N 1 1 278.352 3.157 20 5 CGBDMO CC[C@]1(C)C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000248986615 377438010 /nfs/dbraw/zinc/43/80/10/377438010.db2.gz WLCAPXMYWDMSIJ-IUODEOHRSA-N 1 1 278.352 3.157 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)C(C)C ZINC000175113672 249049613 /nfs/dbraw/zinc/04/96/13/249049613.db2.gz UNLFUXXHRKKGEQ-UHFFFAOYSA-N 1 1 266.341 3.224 20 5 CGBDMO CCOc1cc(NCC[N@@H+](C)[C@H](C)CC)ccc1[N+](=O)[O-] ZINC000092642877 249034497 /nfs/dbraw/zinc/03/44/97/249034497.db2.gz YKCGAXNURMYWRB-GFCCVEGCSA-N 1 1 295.383 3.136 20 5 CGBDMO CO[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC[C@H]1C ZINC000251899719 377603038 /nfs/dbraw/zinc/60/30/38/377603038.db2.gz QXDVHYSATKFFMI-XJKCOSOUSA-N 1 1 292.379 3.321 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342595163 377680405 /nfs/dbraw/zinc/68/04/05/377680405.db2.gz HFDBVYGOOOEAMZ-WFASDCNBSA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275501060 378956988 /nfs/dbraw/zinc/95/69/88/378956988.db2.gz QZUIFFQEIFYEKB-DOMZBBRYSA-N 1 1 292.379 3.057 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCS[C@H](C)CC1 ZINC000276888750 379014160 /nfs/dbraw/zinc/01/41/60/379014160.db2.gz FYDAKQUPZQROJG-VXGBXAGGSA-N 1 1 280.393 3.483 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCS[C@H](C)C1 ZINC000266541336 190265142 /nfs/dbraw/zinc/26/51/42/190265142.db2.gz QADJXCKFQGZGQP-GHMZBOCLSA-N 1 1 266.366 3.093 20 5 CGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc(O)cc1 ZINC000349407484 379271261 /nfs/dbraw/zinc/27/12/61/379271261.db2.gz NUQNKBUKXZKISW-GQCTYLIASA-N 1 1 298.342 3.446 20 5 CGBDMO CCc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000352741474 379934661 /nfs/dbraw/zinc/93/46/61/379934661.db2.gz GPECCQJYVBZVSJ-GFCCVEGCSA-N 1 1 285.347 3.403 20 5 CGBDMO COC1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000282631486 379958588 /nfs/dbraw/zinc/95/85/88/379958588.db2.gz AXPMWJKADBUWJZ-UHFFFAOYSA-N 1 1 296.342 3.123 20 5 CGBDMO CC[C@H](C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)OC ZINC000419295794 380796315 /nfs/dbraw/zinc/79/63/15/380796315.db2.gz XAXIBOJZLCFHJX-GOEBONIOSA-N 1 1 292.379 3.199 20 5 CGBDMO COc1cc(C[N@H+]2C[C@@H](C)CC2(C)C)c([N+](=O)[O-])cc1F ZINC000362326773 381943262 /nfs/dbraw/zinc/94/32/62/381943262.db2.gz VZKHZLSJPYKRPY-JTQLQIEISA-N 1 1 296.342 3.363 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@H]2C2CC2)c(F)c1 ZINC000449529434 285113731 /nfs/dbraw/zinc/11/37/31/285113731.db2.gz XCJMUOJZKSBVDO-AWEZNQCLSA-N 1 1 296.367 3.061 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@H]2C2CC2)c(F)c1 ZINC000449529434 285113732 /nfs/dbraw/zinc/11/37/32/285113732.db2.gz XCJMUOJZKSBVDO-AWEZNQCLSA-N 1 1 296.367 3.061 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000449543120 285114305 /nfs/dbraw/zinc/11/43/05/285114305.db2.gz SCQGQCGCEWIOGR-HOTGVXAUSA-N 1 1 272.348 3.215 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CC=CCC1)CC2 ZINC000353607792 285142057 /nfs/dbraw/zinc/14/20/57/285142057.db2.gz BEOJDUNNPXUUST-CYBMUJFWSA-N 1 1 272.348 3.309 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccsc1 ZINC000289095692 197233546 /nfs/dbraw/zinc/23/35/46/197233546.db2.gz BUBZNXDOQVJFFA-UHFFFAOYSA-N 1 1 276.361 3.331 20 5 CGBDMO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000281770361 195374460 /nfs/dbraw/zinc/37/44/60/195374460.db2.gz SITDMSZVNWRAMZ-MFKMUULPSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000281770361 195374462 /nfs/dbraw/zinc/37/44/62/195374462.db2.gz SITDMSZVNWRAMZ-MFKMUULPSA-N 1 1 298.770 3.248 20 5 CGBDMO CN(C)c1cccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000072582849 392209541 /nfs/dbraw/zinc/20/95/41/392209541.db2.gz NYJQXMFJNXYIBZ-UHFFFAOYSA-N 1 1 299.374 3.293 20 5 CGBDMO C[C@H](CF)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291633458 392472661 /nfs/dbraw/zinc/47/26/61/392472661.db2.gz SNZUIEGGGWMIOH-ZCFIWIBFSA-N 1 1 281.114 3.349 20 5 CGBDMO C[C@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000301776710 392597734 /nfs/dbraw/zinc/59/77/34/392597734.db2.gz LKPZMIMHZBLLRP-ZDUSSCGKSA-N 1 1 289.379 3.048 20 5 CGBDMO Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000505344156 392661977 /nfs/dbraw/zinc/66/19/77/392661977.db2.gz NVPGJEAGJMCXDY-TXEJJXNPSA-N 1 1 262.353 3.381 20 5 CGBDMO CC[C@H](C)C[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000509384003 392748556 /nfs/dbraw/zinc/74/85/56/392748556.db2.gz CYXJLQUQGKNOPA-NSHDSACASA-N 1 1 250.342 3.381 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505790298 392697359 /nfs/dbraw/zinc/69/73/59/392697359.db2.gz MJZXAMQRHSKYDG-JTQLQIEISA-N 1 1 254.305 3.354 20 5 CGBDMO C[C@H]1CC[C@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000190917005 392817456 /nfs/dbraw/zinc/81/74/56/392817456.db2.gz JPBUFXSTLNPCEI-SWLSCSKDSA-N 1 1 290.363 3.127 20 5 CGBDMO C[C@H]1CC[C@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000190917005 392817461 /nfs/dbraw/zinc/81/74/61/392817461.db2.gz JPBUFXSTLNPCEI-SWLSCSKDSA-N 1 1 290.363 3.127 20 5 CGBDMO C[C@@H]1CC[C@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000191026362 392818797 /nfs/dbraw/zinc/81/87/97/392818797.db2.gz CDHQHVUYGATGJT-MLGOLLRUSA-N 1 1 290.363 3.127 20 5 CGBDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000412043974 392995489 /nfs/dbraw/zinc/99/54/89/392995489.db2.gz OJEMFWWBXPSRML-JTQLQIEISA-N 1 1 266.316 3.354 20 5 CGBDMO CC[C@]1(C)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000468150883 393129366 /nfs/dbraw/zinc/12/93/66/393129366.db2.gz VJNLTLFIMWKYKQ-OAHLLOKOSA-N 1 1 278.352 3.096 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000470173701 393228829 /nfs/dbraw/zinc/22/88/29/393228829.db2.gz MOTKZAWONXHYEJ-SOVRZDNNSA-N 1 1 290.363 3.107 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000470173701 393228831 /nfs/dbraw/zinc/22/88/31/393228831.db2.gz MOTKZAWONXHYEJ-SOVRZDNNSA-N 1 1 290.363 3.107 20 5 CGBDMO C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000471542538 393284206 /nfs/dbraw/zinc/28/42/06/393284206.db2.gz OCBQTOCBACDSHG-SNVBAGLBSA-N 1 1 295.770 3.311 20 5 CGBDMO CCCC[N@@H+](C)CCNc1c(C)cccc1[N+](=O)[O-] ZINC000488184965 393467762 /nfs/dbraw/zinc/46/77/62/393467762.db2.gz ZXMWJBDBFWEFNI-UHFFFAOYSA-N 1 1 265.357 3.047 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCSC[C@H](C)C1 ZINC000488241336 393473212 /nfs/dbraw/zinc/47/32/12/393473212.db2.gz DDRJSYNMXKQWNT-VXGBXAGGSA-N 1 1 280.393 3.341 20 5 CGBDMO C[C@H]1C[C@H]1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000488358013 393496520 /nfs/dbraw/zinc/49/65/20/393496520.db2.gz QWXMJUBVPWAHJA-AAEUAGOBSA-N 1 1 260.337 3.215 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(C)=C[C@H](C)C1 ZINC000430880670 393601838 /nfs/dbraw/zinc/60/18/38/393601838.db2.gz ZBMMAQASYIUFMH-NSHDSACASA-N 1 1 260.337 3.301 20 5 CGBDMO CCC[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000423409066 393666545 /nfs/dbraw/zinc/66/65/45/393666545.db2.gz YLZQZIGGVSCXQN-WQVCFCJDSA-N 1 1 291.395 3.024 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000449538110 393888512 /nfs/dbraw/zinc/88/85/12/393888512.db2.gz KEKHNAQRYXWPJI-GOEBONIOSA-N 1 1 272.348 3.215 20 5 CGBDMO CO[C@@H]1C[C@@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000449636836 393931736 /nfs/dbraw/zinc/93/17/36/393931736.db2.gz XFRYUMDDKYCZJN-VXGBXAGGSA-N 1 1 296.392 3.046 20 5 CGBDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000449636836 393931739 /nfs/dbraw/zinc/93/17/39/393931739.db2.gz XFRYUMDDKYCZJN-VXGBXAGGSA-N 1 1 296.392 3.046 20 5 CGBDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000091098047 165257517 /nfs/dbraw/zinc/25/75/17/165257517.db2.gz BAASYNQGCHVKSB-LBPRGKRZSA-N 1 1 268.382 3.168 20 5 CGBDMO Cc1c(C[NH2+][C@H](C)c2ccco2)cccc1[N+](=O)[O-] ZINC000035739295 172393083 /nfs/dbraw/zinc/39/30/83/172393083.db2.gz XNWNKPTUMXWCFW-LLVKDONJSA-N 1 1 260.293 3.347 20 5 CGBDMO C[C@H](NCC[N@@H+](C)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000071376847 176141868 /nfs/dbraw/zinc/14/18/68/176141868.db2.gz WFAXDLYINVXPLB-ZDUSSCGKSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@H]([NH2+]CCN(C)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000071376847 176141869 /nfs/dbraw/zinc/14/18/69/176141869.db2.gz WFAXDLYINVXPLB-ZDUSSCGKSA-N 1 1 291.395 3.120 20 5 CGBDMO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCCCC1 ZINC000725263723 544113778 /nfs/dbraw/zinc/11/37/78/544113778.db2.gz CTKOEXBTCLCMDT-UHFFFAOYSA-N 1 1 299.168 3.343 20 5 CGBDMO CC[N@@H+]1CC=C(c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000498050236 262218456 /nfs/dbraw/zinc/21/84/56/262218456.db2.gz HPGDTBDVKSENNN-UHFFFAOYSA-N 1 1 271.320 3.185 20 5 CGBDMO C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCS1 ZINC000192168855 270077028 /nfs/dbraw/zinc/07/70/28/270077028.db2.gz CLLRPCULSWRITP-JTQLQIEISA-N 1 1 284.356 3.061 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCS1 ZINC000192168855 270077029 /nfs/dbraw/zinc/07/70/29/270077029.db2.gz CLLRPCULSWRITP-JTQLQIEISA-N 1 1 284.356 3.061 20 5 CGBDMO CC[C@@H](C)C[N@@H+](CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000530902534 270203413 /nfs/dbraw/zinc/20/34/13/270203413.db2.gz LCBLBCUZGKALLY-GFCCVEGCSA-N 1 1 280.368 3.471 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000429150204 274354686 /nfs/dbraw/zinc/35/46/86/274354686.db2.gz NNMPZGRZVYSBNS-CYBMUJFWSA-N 1 1 298.342 3.378 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000429150204 274354690 /nfs/dbraw/zinc/35/46/90/274354690.db2.gz NNMPZGRZVYSBNS-CYBMUJFWSA-N 1 1 298.342 3.378 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000180873560 275035186 /nfs/dbraw/zinc/03/51/86/275035186.db2.gz DTKFXAQCOXFJCD-UHFFFAOYSA-N 1 1 297.358 3.197 20 5 CGBDMO CCOC[C@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000267104117 276334067 /nfs/dbraw/zinc/33/40/67/276334067.db2.gz VCEKVKCCEQCJAM-OLZOCXBDSA-N 1 1 278.352 3.014 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000421379273 278036737 /nfs/dbraw/zinc/03/67/37/278036737.db2.gz UGKTYNQKZQBMDM-JSGCOSHPSA-N 1 1 292.379 3.063 20 5 CGBDMO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000294172124 279526671 /nfs/dbraw/zinc/52/66/71/279526671.db2.gz RNOVCFWKBPNFRT-COPLHBTASA-N 1 1 286.335 3.148 20 5 CGBDMO CC[C@@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000156576761 280194417 /nfs/dbraw/zinc/19/44/17/280194417.db2.gz PXIVNDMNFXNQQC-XNRPHZJLSA-N 1 1 291.395 3.118 20 5 CGBDMO CC[C@@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000156576761 280194421 /nfs/dbraw/zinc/19/44/21/280194421.db2.gz PXIVNDMNFXNQQC-XNRPHZJLSA-N 1 1 291.395 3.118 20 5 CGBDMO CC(C)CCOCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548928198 289029205 /nfs/dbraw/zinc/02/92/05/289029205.db2.gz SJURZGNOMJXVDS-UHFFFAOYSA-N 1 1 294.395 3.132 20 5 CGBDMO COC[C@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182787245 293210096 /nfs/dbraw/zinc/21/00/96/293210096.db2.gz QTRDQGINDSZHNE-KBPBESRZSA-N 1 1 292.379 3.323 20 5 CGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000570950051 322286283 /nfs/dbraw/zinc/28/62/83/322286283.db2.gz QRBKGLFAHLWUQN-LBPRGKRZSA-N 1 1 265.357 3.127 20 5 CGBDMO C[C@H]([NH2+][C@H](CN)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423266055 533995648 /nfs/dbraw/zinc/99/56/48/533995648.db2.gz RSRPNZBHMRCHRD-BLLLJJGKSA-N 1 1 291.395 3.153 20 5 CGBDMO C[C@@H]([N@H+](C)Cc1c(F)cccc1[N+](=O)[O-])C1(C)CC1 ZINC000177239583 534285333 /nfs/dbraw/zinc/28/53/33/534285333.db2.gz JLKPPFMULPCNJE-SNVBAGLBSA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@@H]([N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-])C1(C)CC1 ZINC000177239583 534285335 /nfs/dbraw/zinc/28/53/35/534285335.db2.gz JLKPPFMULPCNJE-SNVBAGLBSA-N 1 1 266.316 3.354 20 5 CGBDMO CC(C)c1ccc(C[N@@H+](CCO)C2CCC2)cc1[N+](=O)[O-] ZINC000439788683 528092571 /nfs/dbraw/zinc/09/25/71/528092571.db2.gz NQOQPMGWKHQYIY-UHFFFAOYSA-N 1 1 292.379 3.065 20 5 CGBDMO CC(C)C[C@@H]1CCCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176260498 528371908 /nfs/dbraw/zinc/37/19/08/528371908.db2.gz LNHORNBZSIXSFI-AWEZNQCLSA-N 1 1 294.399 3.082 20 5 CGBDMO CCC(C)(C)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000358453792 528537191 /nfs/dbraw/zinc/53/71/91/528537191.db2.gz WNRXQHVLOWKRCU-UHFFFAOYSA-N 1 1 254.305 3.354 20 5 CGBDMO CC(C)[N@H+]1CCCC[C@@H]1CSc1ncccc1[N+](=O)[O-] ZINC000412997251 529005145 /nfs/dbraw/zinc/00/51/45/529005145.db2.gz WQTDLLQJSWYSSK-GFCCVEGCSA-N 1 1 295.408 3.345 20 5 CGBDMO CC[C@@H]([NH2+]Cc1ccncc1F)c1cccc([N+](=O)[O-])c1 ZINC000449176406 529188057 /nfs/dbraw/zinc/18/80/57/529188057.db2.gz SPQGUHBNVQLEIG-OAHLLOKOSA-N 1 1 289.310 3.370 20 5 CGBDMO CCOCCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553252 535515251 /nfs/dbraw/zinc/51/52/51/535515251.db2.gz XYZIGVHFZBQEBL-OAHLLOKOSA-N 1 1 292.379 3.201 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492759741 536767482 /nfs/dbraw/zinc/76/74/82/536767482.db2.gz XJJHICMWXPCVOG-STQMWFEESA-N 1 1 292.379 3.471 20 5 CGBDMO Cc1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000729480036 571921166 /nfs/dbraw/zinc/92/11/66/571921166.db2.gz USHIHYXGIBOKBN-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000738055007 572364104 /nfs/dbraw/zinc/36/41/04/572364104.db2.gz LUFVIRUHRHEIQD-RISCZKNCSA-N 1 1 294.399 3.266 20 5 CGBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000741790952 572529253 /nfs/dbraw/zinc/52/92/53/572529253.db2.gz OIQQTFZKGKIBTJ-WDEREUQCSA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000235565639 618681397 /nfs/dbraw/zinc/68/13/97/618681397.db2.gz NTTNZPBJOUCHFT-VIFPVBQESA-N 1 1 299.168 3.342 20 5 CGBDMO C[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000235565639 618681404 /nfs/dbraw/zinc/68/14/04/618681404.db2.gz NTTNZPBJOUCHFT-VIFPVBQESA-N 1 1 299.168 3.342 20 5 CGBDMO Cc1nn(C[N@H+]2CCC[C@@H]2C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000055034941 618863824 /nfs/dbraw/zinc/86/38/24/618863824.db2.gz DWYVULULXZIARB-CQSZACIVSA-N 1 1 292.383 3.020 20 5 CGBDMO C[C@@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000903287318 621670925 /nfs/dbraw/zinc/67/09/25/621670925.db2.gz NWIGHZXOLFQJHK-GYSYKLTISA-N 1 1 286.335 3.148 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C/C=C\Cl ZINC000903443112 621754377 /nfs/dbraw/zinc/75/43/77/621754377.db2.gz BQSSOWPQWGMRHK-JVBZPZKUSA-N 1 1 270.716 3.007 20 5 CGBDMO COc1ccc(C[N@H+]2CCC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000174276842 623381718 /nfs/dbraw/zinc/38/17/18/623381718.db2.gz IZWOOCWSKTZMRZ-UHFFFAOYSA-N 1 1 290.363 3.370 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000761110051 623677487 /nfs/dbraw/zinc/67/74/87/623677487.db2.gz SDLVVRKPPQJPKO-QMMMGPOBSA-N 1 1 290.697 3.335 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000761110051 623677495 /nfs/dbraw/zinc/67/74/95/623677495.db2.gz SDLVVRKPPQJPKO-QMMMGPOBSA-N 1 1 290.697 3.335 20 5 CGBDMO CC[C@H]1CCCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154350521 624258186 /nfs/dbraw/zinc/25/81/86/624258186.db2.gz PDYJCKBHUJYINK-HOCLYGCPSA-N 1 1 292.379 3.283 20 5 CGBDMO CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000174863619 624362374 /nfs/dbraw/zinc/36/23/74/624362374.db2.gz GPLJXPMXSSVWJJ-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000174863619 624362375 /nfs/dbraw/zinc/36/23/75/624362375.db2.gz GPLJXPMXSSVWJJ-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000839184145 626326921 /nfs/dbraw/zinc/32/69/21/626326921.db2.gz FKPUKVXVUVKCIF-UHFFFAOYSA-N 1 1 293.323 3.123 20 5 CGBDMO CC[N@@H+](CC(C)C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764890269 627231878 /nfs/dbraw/zinc/23/18/78/627231878.db2.gz UIJXDGIPUUXGAW-UHFFFAOYSA-N 1 1 290.367 3.188 20 5 CGBDMO CC[N@@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C1CCC1 ZINC000765001883 627235807 /nfs/dbraw/zinc/23/58/07/627235807.db2.gz KQMGYZYKWSBCOR-UHFFFAOYSA-N 1 1 288.351 3.085 20 5 CGBDMO Cc1nn(C[N@H+](C)CC(C)(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000765010054 627236227 /nfs/dbraw/zinc/23/62/27/627236227.db2.gz OPTNIAVFWAGOLV-UHFFFAOYSA-N 1 1 290.367 3.188 20 5 CGBDMO Cc1ccc([C@@H](C)NCC[N@@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000766273176 627309834 /nfs/dbraw/zinc/30/98/34/627309834.db2.gz NYOXJXKSOBSQLQ-ZIAGYGMSSA-N 1 1 291.395 3.038 20 5 CGBDMO Cc1ccc([C@@H](C)NCC[N@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000766273176 627309839 /nfs/dbraw/zinc/30/98/39/627309839.db2.gz NYOXJXKSOBSQLQ-ZIAGYGMSSA-N 1 1 291.395 3.038 20 5 CGBDMO Cc1nn(C[N@H+]2CCC[C@H](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000779865365 628438807 /nfs/dbraw/zinc/43/88/07/628438807.db2.gz LNJNZUJIILAJBI-ZDUSSCGKSA-N 1 1 294.399 3.205 20 5 CGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000808177665 630629085 /nfs/dbraw/zinc/62/90/85/630629085.db2.gz VZGCONQCOCPBCJ-NSHDSACASA-N 1 1 283.347 3.266 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879959760 635888779 /nfs/dbraw/zinc/88/87/79/635888779.db2.gz RQXDYGASOFNCOX-TZMCWYRMSA-N 1 1 292.379 3.139 20 5 CGBDMO C[C@H]1C[C@@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000122830015 633518840 /nfs/dbraw/zinc/51/88/40/633518840.db2.gz PCOPAEQAVQONPF-GXSJLCMTSA-N 1 1 295.770 3.285 20 5 CGBDMO CC/C=C\C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872075414 633998155 /nfs/dbraw/zinc/99/81/55/633998155.db2.gz RFKGRILSLWLBHA-LWTINBJPSA-N 1 1 252.289 3.351 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832468167 634062650 /nfs/dbraw/zinc/06/26/50/634062650.db2.gz FRZNWSIQUNDRMV-ZENOOKHLSA-N 1 1 292.379 3.139 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832468385 634063075 /nfs/dbraw/zinc/06/30/75/634063075.db2.gz IEZGVORQQXPUKN-WOSRLPQWSA-N 1 1 292.379 3.139 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000885954351 637328790 /nfs/dbraw/zinc/32/87/90/637328790.db2.gz VPEKVDFIMUJJFT-BPLDGKMQSA-N 1 1 289.379 3.390 20 5 CGBDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886021362 637369039 /nfs/dbraw/zinc/36/90/39/637369039.db2.gz UXCXRCHJZQFKNY-BZPMIXESSA-N 1 1 275.352 3.143 20 5 CGBDMO CC1(C)CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886021429 637369769 /nfs/dbraw/zinc/36/97/69/637369769.db2.gz VWZIZYGDVJBFRO-UHFFFAOYSA-N 1 1 263.341 3.002 20 5 CGBDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886027291 637373344 /nfs/dbraw/zinc/37/33/44/637373344.db2.gz CZNARKREJSMENJ-STQMWFEESA-N 1 1 295.408 3.096 20 5 CGBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000886194093 637454200 /nfs/dbraw/zinc/45/42/00/637454200.db2.gz ITPTVXGARQFGPA-UHFFFAOYSA-N 1 1 285.347 3.357 20 5 CGBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000886194093 637454201 /nfs/dbraw/zinc/45/42/01/637454201.db2.gz ITPTVXGARQFGPA-UHFFFAOYSA-N 1 1 285.347 3.357 20 5 CGBDMO CC12CC(C1)C[N@@H+]2Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852785641 637711302 /nfs/dbraw/zinc/71/13/02/637711302.db2.gz DGUNDAPCVMLMEE-UHFFFAOYSA-N 1 1 266.728 3.233 20 5 CGBDMO CC12CC(C1)C[N@H+]2Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852785641 637711309 /nfs/dbraw/zinc/71/13/09/637711309.db2.gz DGUNDAPCVMLMEE-UHFFFAOYSA-N 1 1 266.728 3.233 20 5 CGBDMO CN(CC[N@@H+](C)C1CC1)c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853482839 637853328 /nfs/dbraw/zinc/85/33/28/637853328.db2.gz LCAAXLDZMOGJQV-UHFFFAOYSA-N 1 1 299.321 3.063 20 5 CGBDMO COC/C(C)=C/C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000930140469 638977634 /nfs/dbraw/zinc/97/76/34/638977634.db2.gz ADWIBZNDSKHSBI-UKTHLTGXSA-N 1 1 290.363 3.152 20 5 CGBDMO Cc1cc(C)nc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000930207591 638982997 /nfs/dbraw/zinc/98/29/97/638982997.db2.gz BDRJZZHKXSNTIL-CYBMUJFWSA-N 1 1 285.347 3.457 20 5 CGBDMO CSCC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000932592521 639364429 /nfs/dbraw/zinc/36/44/29/639364429.db2.gz ZLTCKKAEHBWREX-UHFFFAOYSA-N 1 1 298.383 3.309 20 5 CGBDMO C[C@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1CC[N+](=O)[O-] ZINC000932920650 639400018 /nfs/dbraw/zinc/40/00/18/639400018.db2.gz WABCFRFXTWMPQF-GFCCVEGCSA-N 1 1 288.800 3.075 20 5 CGBDMO C[C@]1(Cc2ccc(Cl)s2)CCC[N@H+]1CC[N+](=O)[O-] ZINC000932920650 639400023 /nfs/dbraw/zinc/40/00/23/639400023.db2.gz WABCFRFXTWMPQF-GFCCVEGCSA-N 1 1 288.800 3.075 20 5 CGBDMO CC1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774871 640802670 /nfs/dbraw/zinc/80/26/70/640802670.db2.gz MHIISBMGDCZRNG-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(C)(C)C1 ZINC001254562883 806450951 /nfs/dbraw/zinc/45/09/51/806450951.db2.gz QUAOXVDRALRSIO-GFCCVEGCSA-N 1 1 262.353 3.258 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@H](C(F)F)C1)C2 ZINC001254602976 806458161 /nfs/dbraw/zinc/45/81/61/806458161.db2.gz JKHPPQLTCVCGDQ-SMDDNHRTSA-N 1 1 296.317 3.039 20 5 CGBDMO C[C@@]1(F)CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599680 806458210 /nfs/dbraw/zinc/45/82/10/806458210.db2.gz OJYKRMHSYVNHEH-JKSUJKDBSA-N 1 1 292.354 3.276 20 5 CGBDMO C[C@@H]1CCCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601099 806458375 /nfs/dbraw/zinc/45/83/75/806458375.db2.gz ZGNQJEADCIWUBM-MLGOLLRUSA-N 1 1 274.364 3.184 20 5 CGBDMO C[C@@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]1C ZINC001254600771 806458540 /nfs/dbraw/zinc/45/85/40/806458540.db2.gz RJBAZHQLQMXYSB-WQGACYEGSA-N 1 1 274.364 3.182 20 5 CGBDMO Cc1c[nH]c(Nc2cc(Cl)ccc2[N+](=O)[O-])[nH+]1 ZINC001162780733 806664659 /nfs/dbraw/zinc/66/46/59/806664659.db2.gz ABTAZNHFAMKDGZ-UHFFFAOYSA-N 1 1 252.661 3.023 20 5 CGBDMO C[C@H](C1CC1)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000036785315 798851153 /nfs/dbraw/zinc/85/11/53/798851153.db2.gz LXQZUSHOTARUDT-SECBINFHSA-N 1 1 268.744 3.479 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2C2CCC2)cc1F ZINC000688255535 799744900 /nfs/dbraw/zinc/74/49/00/799744900.db2.gz NYWXFYWAAXZHDN-CQSZACIVSA-N 1 1 278.327 3.498 20 5 CGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccns1 ZINC000715973132 800157097 /nfs/dbraw/zinc/15/70/97/800157097.db2.gz BGRIIFUVVJZVNO-QMMMGPOBSA-N 1 1 281.312 3.041 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1(C)CCCC1 ZINC000720377694 800256987 /nfs/dbraw/zinc/25/69/87/800256987.db2.gz BVYQHJJPXGURHN-UHFFFAOYSA-N 1 1 266.316 3.498 20 5 CGBDMO CC(C)c1nc(C[N@@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)cs1 ZINC001169040232 807556771 /nfs/dbraw/zinc/55/67/71/807556771.db2.gz YYYJRKDTPIPSOC-AAEUAGOBSA-N 1 1 297.424 3.144 20 5 CGBDMO Cc1ccc(C[N@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1C ZINC001169040960 807557887 /nfs/dbraw/zinc/55/78/87/807557887.db2.gz AFMGWADEWFDUBZ-JKSUJKDBSA-N 1 1 276.380 3.181 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCSc3ccccc3C2)C1 ZINC001169046360 807558387 /nfs/dbraw/zinc/55/83/87/807558387.db2.gz KZXCAUPMLHXKAP-OCCSQVGLSA-N 1 1 292.404 3.040 20 5 CGBDMO C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]1CCc2ccccc21 ZINC001169053944 807561237 /nfs/dbraw/zinc/56/12/37/807561237.db2.gz KRSLMVRVEAZAAO-BJJXKVORSA-N 1 1 274.364 3.051 20 5 CGBDMO CC[C@H](C)[N@@H+](C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170334765 807826843 /nfs/dbraw/zinc/82/68/43/807826843.db2.gz IFCCQOFJNFSNEI-RYUDHWBXSA-N 1 1 280.368 3.265 20 5 CGBDMO C[C@@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1F ZINC001172909946 808476648 /nfs/dbraw/zinc/47/66/48/808476648.db2.gz VYBBSWDQRHXTKF-WPGHFRTFSA-N 1 1 292.354 3.132 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](C)(CF)C1 ZINC001173222995 808540413 /nfs/dbraw/zinc/54/04/13/808540413.db2.gz WAZLONFUWYNBKE-DOMZBBRYSA-N 1 1 280.343 3.207 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](CC1CC1)C1CC1 ZINC001173230286 808542580 /nfs/dbraw/zinc/54/25/80/808542580.db2.gz DOEDXJUQAFLSIG-GFCCVEGCSA-N 1 1 274.364 3.400 20 5 CGBDMO CC(C)=CC[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001178488652 809870429 /nfs/dbraw/zinc/87/04/29/809870429.db2.gz ZODYCHJDVHTKSX-UHFFFAOYSA-N 1 1 299.168 3.413 20 5 CGBDMO CC[N@H+]1CCCC[C@H]1CNc1cc(C)sc1[N+](=O)[O-] ZINC001185340193 810257402 /nfs/dbraw/zinc/25/74/02/810257402.db2.gz WNHQPLGNIUPMIX-NSHDSACASA-N 1 1 283.397 3.251 20 5 CGBDMO Cc1cc(N2CC[N@H+](C)[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001187445570 810399750 /nfs/dbraw/zinc/39/97/50/810399750.db2.gz MONJUBJHPFDBGB-HNNXBMFYSA-N 1 1 291.395 3.070 20 5 CGBDMO CC[C@H](C)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001191521629 810721793 /nfs/dbraw/zinc/72/17/93/810721793.db2.gz UCISKNKXWKWPDD-RYUDHWBXSA-N 1 1 262.353 3.388 20 5 CGBDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC001191788947 810740999 /nfs/dbraw/zinc/74/09/99/810740999.db2.gz BVFFOCBFGHWEKU-TZMCWYRMSA-N 1 1 294.399 3.000 20 5 CGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCC(C)(C)C ZINC001195497242 811263530 /nfs/dbraw/zinc/26/35/30/811263530.db2.gz HAHADSKYXFPGEZ-UHFFFAOYSA-N 1 1 280.368 3.342 20 5 CGBDMO CC[N@@H+](CCNCc1c(C)ccc([N+](=O)[O-])c1C)C(C)C ZINC001199990764 811624047 /nfs/dbraw/zinc/62/40/47/811624047.db2.gz NUIPTJRTBLOMLR-UHFFFAOYSA-N 1 1 293.411 3.032 20 5 CGBDMO CCN(CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)C(C)C ZINC001199990764 811624051 /nfs/dbraw/zinc/62/40/51/811624051.db2.gz NUIPTJRTBLOMLR-UHFFFAOYSA-N 1 1 293.411 3.032 20 5 CGBDMO CC(=O)Nc1cc(Nc2cc([N+](=O)[O-])ccc2C)cc[nH+]1 ZINC001211287734 814870769 /nfs/dbraw/zinc/87/07/69/814870769.db2.gz UEPSTWYFLONAEW-UHFFFAOYSA-N 1 1 286.291 3.000 20 5 CGBDMO C[C@@H](OC[C@@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC001224707982 816861122 /nfs/dbraw/zinc/86/11/22/816861122.db2.gz UZBHGVCRJVPCNL-DOMZBBRYSA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1cccc(O[C@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001225635374 817121840 /nfs/dbraw/zinc/12/18/40/817121840.db2.gz GHTDGDBDONUAKC-ZDUSSCGKSA-N 1 1 278.352 3.155 20 5 CGBDMO C[N@H+]1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC001225786910 817178737 /nfs/dbraw/zinc/17/87/37/817178737.db2.gz ZMAUGUNLNVRCFJ-SNVBAGLBSA-N 1 1 284.743 3.111 20 5 CGBDMO C[N@H+]1CC[C@@H](Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C1 ZINC001226385677 817341292 /nfs/dbraw/zinc/34/12/92/817341292.db2.gz IVOGPDCMOCIUNY-OAHLLOKOSA-N 1 1 298.342 3.345 20 5 CGBDMO Cc1ccc(O[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001226953121 817516022 /nfs/dbraw/zinc/51/60/22/817516022.db2.gz SCJDPPJQYLTPFA-CQSZACIVSA-N 1 1 278.352 3.155 20 5 CGBDMO Cc1cc(C)c(O[C@@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001228238723 817847216 /nfs/dbraw/zinc/84/72/16/817847216.db2.gz WQKYJXCKZCHORT-CQSZACIVSA-N 1 1 292.379 3.463 20 5 CGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCC(C)(C)C1 ZINC001460049941 937513648 /nfs/dbraw/zinc/51/36/48/937513648.db2.gz VHQKQVHSGFBUJT-AWEZNQCLSA-N 1 1 292.379 3.484 20 5 CGBDMO Cc1cc(O[C@H]2CC[N@H+](C(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC001229471183 932157389 /nfs/dbraw/zinc/15/73/89/932157389.db2.gz XPYSXFJAWAJOCK-ZDUSSCGKSA-N 1 1 278.352 3.073 20 5 CGBDMO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CCC[N@H+](C)CC1 ZINC001229881915 932497736 /nfs/dbraw/zinc/49/77/36/932497736.db2.gz IGGVMOIVZKWHQA-ZDUSSCGKSA-N 1 1 278.352 3.075 20 5 CGBDMO Cc1cc(O[C@H]2CCC[N@H+](C)CC2)c([N+](=O)[O-])cc1Cl ZINC001229974479 932513860 /nfs/dbraw/zinc/51/38/60/932513860.db2.gz GFZPXRAACCPFPW-NSHDSACASA-N 1 1 298.770 3.420 20 5 CGBDMO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001230723111 932614907 /nfs/dbraw/zinc/61/49/07/932614907.db2.gz DRHNRTNATYREBK-AWEZNQCLSA-N 1 1 292.379 3.463 20 5 CGBDMO CCC[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001308132860 933052577 /nfs/dbraw/zinc/05/25/77/933052577.db2.gz COIKFFUISJJXIN-CYBMUJFWSA-N 1 1 278.352 3.238 20 5 CGBDMO C[N@H+]1CCC[C@@H](CCNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001472801927 937784595 /nfs/dbraw/zinc/78/45/95/937784595.db2.gz IUEIDYFJYXHVKV-NSHDSACASA-N 1 1 297.786 3.392 20 5 CGBDMO O=[N+]([O-])CC[N@H+](Cc1ccccc1Cl)C1CCCC1 ZINC001473155044 937794613 /nfs/dbraw/zinc/79/46/13/937794613.db2.gz LMJJTLNJQSRVFD-UHFFFAOYSA-N 1 1 282.771 3.361 20 5 CGBDMO O=[N+]([O-])CC[N@@H+](Cc1ccccc1Cl)C1CCCC1 ZINC001473155044 937794615 /nfs/dbraw/zinc/79/46/15/937794615.db2.gz LMJJTLNJQSRVFD-UHFFFAOYSA-N 1 1 282.771 3.361 20 5 CGBDMO CCC[C@H](NCC[C@H](C)[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC001326474277 934982746 /nfs/dbraw/zinc/98/27/46/934982746.db2.gz UHTSJLZISANABV-WFASDCNBSA-N 1 1 279.384 3.024 20 5 CGBDMO CC[N@H+]1CCC[C@H](CNc2cccc(C)c2[N+](=O)[O-])C1 ZINC001333671591 935559316 /nfs/dbraw/zinc/55/93/16/935559316.db2.gz LEEMCIFHUIDWOX-CYBMUJFWSA-N 1 1 277.368 3.047 20 5 CGBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC001473897973 937828529 /nfs/dbraw/zinc/82/85/29/937828529.db2.gz UHGRTJARWCACEN-OAHLLOKOSA-N 1 1 292.379 3.232 20 5 CGBDMO C[C@H]([NH2+]Cc1cnn2ccccc12)c1ccccc1[N+](=O)[O-] ZINC001474256556 937846783 /nfs/dbraw/zinc/84/67/83/937846783.db2.gz PVPUITUDFHWCIL-LBPRGKRZSA-N 1 1 296.330 3.093 20 5 CGBDMO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC001559675490 938232541 /nfs/dbraw/zinc/23/25/41/938232541.db2.gz JWMBONJKIPBSBZ-CYBMUJFWSA-N 1 1 292.379 3.342 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H]1C(C)C ZINC001560707541 938271585 /nfs/dbraw/zinc/27/15/85/938271585.db2.gz NLHZHTTUTDZVTH-AWEZNQCLSA-N 1 1 262.353 3.442 20 5 CGBDMO Cc1cc(NCCC[N@H+](C)CC(C)C)ccc1[N+](=O)[O-] ZINC001163657229 958838285 /nfs/dbraw/zinc/83/82/85/958838285.db2.gz VLNXZQKWVQTRJQ-UHFFFAOYSA-N 1 1 279.384 3.293 20 5 CGBDMO CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000439482132 529397107 /nfs/dbraw/zinc/39/71/07/529397107.db2.gz QUASXSJLWDHQHQ-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000439482132 529397108 /nfs/dbraw/zinc/39/71/08/529397108.db2.gz QUASXSJLWDHQHQ-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO C[N@@H+](CCC(C)(C)C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000592145516 346966736 /nfs/dbraw/zinc/96/67/36/346966736.db2.gz WTSCPTIVTOLQBH-UHFFFAOYSA-N 1 1 290.367 3.339 20 5 CGBDMO C[C@H]1CC2(C[N@H+]1Cc1csc([N+](=O)[O-])c1)CCOCC2 ZINC000592181478 346969407 /nfs/dbraw/zinc/96/94/07/346969407.db2.gz FEZYLZBGCNQPHU-NSHDSACASA-N 1 1 296.392 3.047 20 5 CGBDMO Cc1ccc(C[NH+]2CC(C)(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000592526844 346996814 /nfs/dbraw/zinc/99/68/14/346996814.db2.gz RNJVVISYQRWBDO-UHFFFAOYSA-N 1 1 284.306 3.380 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC23CCCC3)cs1 ZINC000593039512 347030895 /nfs/dbraw/zinc/03/08/95/347030895.db2.gz QRGLZUOWBSAYPR-UHFFFAOYSA-N 1 1 252.339 3.175 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC23CCCC3)cs1 ZINC000593039512 347030899 /nfs/dbraw/zinc/03/08/99/347030899.db2.gz QRGLZUOWBSAYPR-UHFFFAOYSA-N 1 1 252.339 3.175 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118748 347042345 /nfs/dbraw/zinc/04/23/45/347042345.db2.gz YHURJBYHBRFGJJ-GWCFXTLKSA-N 1 1 282.290 3.387 20 5 CGBDMO Cc1ccc(NC[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000040624233 344964677 /nfs/dbraw/zinc/96/46/77/344964677.db2.gz BWRNXHSBRPQGBN-CYBMUJFWSA-N 1 1 277.368 3.045 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C)CC1 ZINC000063309053 345245196 /nfs/dbraw/zinc/24/51/96/345245196.db2.gz DRWFUPKRGOBLDY-GFCCVEGCSA-N 1 1 278.352 3.225 20 5 CGBDMO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CC1 ZINC000083173457 345724418 /nfs/dbraw/zinc/72/44/18/345724418.db2.gz PLYQNHBUFVEDGJ-UHFFFAOYSA-N 1 1 289.335 3.358 20 5 CGBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1Cc2ccccc2C1 ZINC000141291386 346107763 /nfs/dbraw/zinc/10/77/63/346107763.db2.gz CPQPTEIMWFFPDA-UHFFFAOYSA-N 1 1 282.343 3.194 20 5 CGBDMO CCc1cc(N[C@@H](C)c2ccccc2[N+](=O)[O-])nc(C)[nH+]1 ZINC000272829919 346412176 /nfs/dbraw/zinc/41/21/76/346412176.db2.gz GPSZLGGKDUEMGT-JTQLQIEISA-N 1 1 286.335 3.429 20 5 CGBDMO CC(C)[N@@H+](C)CCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000312311702 346477066 /nfs/dbraw/zinc/47/70/66/346477066.db2.gz ZUYIWMNTGPKHDY-UHFFFAOYSA-N 1 1 287.310 3.285 20 5 CGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000588978218 346779478 /nfs/dbraw/zinc/77/94/78/346779478.db2.gz QEEGOVVEOANSMI-CQSZACIVSA-N 1 1 290.363 3.096 20 5 CGBDMO COc1c(C)cccc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594521709 347189066 /nfs/dbraw/zinc/18/90/66/347189066.db2.gz NWZKAIPANGCVCD-UHFFFAOYSA-N 1 1 292.360 3.263 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595616414 347328260 /nfs/dbraw/zinc/32/82/60/347328260.db2.gz BUVRCKGZFHSSMA-BLLLJJGKSA-N 1 1 290.363 3.157 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595616414 347328263 /nfs/dbraw/zinc/32/82/63/347328263.db2.gz BUVRCKGZFHSSMA-BLLLJJGKSA-N 1 1 290.363 3.157 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](CCF)C2)cc1 ZINC000595755122 347350375 /nfs/dbraw/zinc/35/03/75/347350375.db2.gz GSQBZZBRSNVFLG-CQSZACIVSA-N 1 1 280.343 3.209 20 5 CGBDMO Cc1noc(C[N@H+]2CCC[C@H]2CC2CCCC2)c1[N+](=O)[O-] ZINC000595563527 347319568 /nfs/dbraw/zinc/31/95/68/347319568.db2.gz VPIBDFNMPCVJTP-ZDUSSCGKSA-N 1 1 293.367 3.436 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000596305783 347413428 /nfs/dbraw/zinc/41/34/28/347413428.db2.gz AKYAMISHSJNCDT-LLVKDONJSA-N 1 1 281.331 3.019 20 5 CGBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CC1(C)C ZINC000595913835 347372881 /nfs/dbraw/zinc/37/28/81/347372881.db2.gz VPDJNKPKOWPQJM-JTQLQIEISA-N 1 1 289.335 3.214 20 5 CGBDMO Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])s1 ZINC000596083931 347381288 /nfs/dbraw/zinc/38/12/88/347381288.db2.gz ZBWIPYQIIKIIGX-GHMZBOCLSA-N 1 1 281.381 3.003 20 5 CGBDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000599674268 347764452 /nfs/dbraw/zinc/76/44/52/347764452.db2.gz ABDCNAVZTMYGHE-ZFWWWQNUSA-N 1 1 260.337 3.359 20 5 CGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+]2C2CCCC2)s1 ZINC000599164097 347722774 /nfs/dbraw/zinc/72/27/74/347722774.db2.gz JOSCPZSYNPELEV-LLVKDONJSA-N 1 1 281.381 3.085 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cccc1[N+](=O)[O-] ZINC000599553402 347754384 /nfs/dbraw/zinc/75/43/84/347754384.db2.gz SPCIKQLGBNTVSV-KGLIPLIRSA-N 1 1 292.404 3.373 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)cc1 ZINC000600214016 347794632 /nfs/dbraw/zinc/79/46/32/347794632.db2.gz KGBZFGWLVUONJW-HNNXBMFYSA-N 1 1 298.342 3.290 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CC(Cc2ccco2)C1 ZINC000600198404 347792373 /nfs/dbraw/zinc/79/23/73/347792373.db2.gz YLSGJJOWEJXABX-ZZXKWVIFSA-N 1 1 298.342 3.376 20 5 CGBDMO CC[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351891336 219239827 /nfs/dbraw/zinc/23/98/27/219239827.db2.gz PSLDUUDHVBQCHP-VIFPVBQESA-N 1 1 270.279 3.105 20 5 CGBDMO CC[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351891336 219239828 /nfs/dbraw/zinc/23/98/28/219239828.db2.gz PSLDUUDHVBQCHP-VIFPVBQESA-N 1 1 270.279 3.105 20 5 CGBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000604525304 348123731 /nfs/dbraw/zinc/12/37/31/348123731.db2.gz LBWYDTVDNHLPJE-UHFFFAOYSA-N 1 1 290.285 3.412 20 5 CGBDMO COc1ccc(C[N@H+]2CCC[C@@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000609120998 348336372 /nfs/dbraw/zinc/33/63/72/348336372.db2.gz RADYTRIOMUJWRD-CQSZACIVSA-N 1 1 290.363 3.368 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581219 348391039 /nfs/dbraw/zinc/39/10/39/348391039.db2.gz RVYATXXSBCSNAF-SNVBAGLBSA-N 1 1 277.324 3.356 20 5 CGBDMO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000611521506 348459004 /nfs/dbraw/zinc/45/90/04/348459004.db2.gz NABOLEAVSJSFTM-UWVGGRQHSA-N 1 1 274.324 3.038 20 5 CGBDMO CC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000351978767 219272400 /nfs/dbraw/zinc/27/24/00/219272400.db2.gz ZOAMMHCYMHNMHW-LBPRGKRZSA-N 1 1 278.352 3.225 20 5 CGBDMO CCn1ccc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000616786389 348877936 /nfs/dbraw/zinc/87/79/36/348877936.db2.gz XZUXJWHQMUDBEF-UHFFFAOYSA-N 1 1 287.363 3.091 20 5 CGBDMO C[C@H]1CC[C@H](C)[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000352004397 219286616 /nfs/dbraw/zinc/28/66/16/219286616.db2.gz PKEVEVDKJRWKHO-UWVGGRQHSA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000352004397 219286619 /nfs/dbraw/zinc/28/66/19/219286619.db2.gz PKEVEVDKJRWKHO-UWVGGRQHSA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC000352028962 219293723 /nfs/dbraw/zinc/29/37/23/219293723.db2.gz QUBBQSKSJIDHRE-BDAKNGLRSA-N 1 1 270.279 3.103 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC000352028962 219293725 /nfs/dbraw/zinc/29/37/25/219293725.db2.gz QUBBQSKSJIDHRE-BDAKNGLRSA-N 1 1 270.279 3.103 20 5 CGBDMO CC(C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000158741801 188391943 /nfs/dbraw/zinc/39/19/43/188391943.db2.gz CCMMJGQSVCXQFB-UHFFFAOYSA-N 1 1 274.267 3.036 20 5 CGBDMO CSCC[C@H](C)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000126575624 138385940 /nfs/dbraw/zinc/38/59/40/138385940.db2.gz FBJJFIAYKPKAQW-VIFPVBQESA-N 1 1 274.411 3.230 20 5 CGBDMO Cc1c(C[N@H+]2CCCCC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000342069205 216208887 /nfs/dbraw/zinc/20/88/87/216208887.db2.gz QTNZXIJAMCYWPH-HNNXBMFYSA-N 1 1 292.379 3.030 20 5 CGBDMO Cc1cnc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000342241379 216274136 /nfs/dbraw/zinc/27/41/36/216274136.db2.gz YJQSEJPFEQYQKJ-UHFFFAOYSA-N 1 1 291.376 3.385 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000342296014 216297897 /nfs/dbraw/zinc/29/78/97/216297897.db2.gz GQNGABDJIIWYLY-TXEJJXNPSA-N 1 1 278.352 3.366 20 5 CGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1cccc(F)c1[N+](=O)[O-] ZINC000301419088 201002889 /nfs/dbraw/zinc/00/28/89/201002889.db2.gz BQBHALVWASJQOB-LBPRGKRZSA-N 1 1 295.358 3.045 20 5 CGBDMO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000182065313 189313211 /nfs/dbraw/zinc/31/32/11/189313211.db2.gz XFYRHDBTDLWJJX-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1ccc(C[N@H+](C)[C@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000182065313 189313212 /nfs/dbraw/zinc/31/32/12/189313212.db2.gz XFYRHDBTDLWJJX-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000183705221 189366001 /nfs/dbraw/zinc/36/60/01/189366001.db2.gz HZOYOAROZOZKHO-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO COCC[C@H](C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546330 240321461 /nfs/dbraw/zinc/32/14/61/240321461.db2.gz IVKSXCMJNNHSQM-DZGCQCFKSA-N 1 1 292.379 3.199 20 5 CGBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000121065990 370826702 /nfs/dbraw/zinc/82/67/02/370826702.db2.gz VQTPDBAITFEQJX-LLVKDONJSA-N 1 1 286.784 3.186 20 5 CGBDMO CC[C@H]1[C@H](C)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000481396396 243192045 /nfs/dbraw/zinc/19/20/45/243192045.db2.gz FVQDMMSYBGVCCL-DOMZBBRYSA-N 1 1 278.352 3.094 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC000035013329 368989716 /nfs/dbraw/zinc/98/97/16/368989716.db2.gz GHDLJRJVRRRQKR-LLVKDONJSA-N 1 1 260.293 3.347 20 5 CGBDMO CCN(CC)[C@@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000127577732 370954705 /nfs/dbraw/zinc/95/47/05/370954705.db2.gz IUVKOVNIDQHDKZ-GXTWGEPZSA-N 1 1 293.411 3.284 20 5 CGBDMO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276269507 193265851 /nfs/dbraw/zinc/26/58/51/193265851.db2.gz CPCMUIUSJLNUMB-LLVKDONJSA-N 1 1 289.310 3.322 20 5 CGBDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276269507 193265852 /nfs/dbraw/zinc/26/58/52/193265852.db2.gz CPCMUIUSJLNUMB-LLVKDONJSA-N 1 1 289.310 3.322 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cnccn2)cc1[N+](=O)[O-] ZINC000090217537 370058904 /nfs/dbraw/zinc/05/89/04/370058904.db2.gz UFOGRBZFRWXPIT-RYUDHWBXSA-N 1 1 286.335 3.105 20 5 CGBDMO CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000116274938 370555779 /nfs/dbraw/zinc/55/57/79/370555779.db2.gz ICLCLYGPTKIABP-UHFFFAOYSA-N 1 1 256.733 3.479 20 5 CGBDMO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000132538021 371181382 /nfs/dbraw/zinc/18/13/82/371181382.db2.gz DIMXVYRTBANLND-ZJUUUORDSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000132538021 371181386 /nfs/dbraw/zinc/18/13/86/371181386.db2.gz DIMXVYRTBANLND-ZJUUUORDSA-N 1 1 284.356 3.060 20 5 CGBDMO CSCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153222801 371756160 /nfs/dbraw/zinc/75/61/60/371756160.db2.gz JLKPWGDRQGTBOG-UHFFFAOYSA-N 1 1 280.393 3.312 20 5 CGBDMO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000289645196 371782478 /nfs/dbraw/zinc/78/24/78/371782478.db2.gz DITYHUNTXMBLRP-AWEZNQCLSA-N 1 1 292.379 3.374 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000426461828 372160024 /nfs/dbraw/zinc/16/00/24/372160024.db2.gz POGZUNDDBWBXIW-SWLSCSKDSA-N 1 1 260.337 3.278 20 5 CGBDMO COc1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000159732995 372174231 /nfs/dbraw/zinc/17/42/31/372174231.db2.gz MDVBJDSUBROPRD-KBPBESRZSA-N 1 1 290.363 3.368 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1CF ZINC000293889688 372512817 /nfs/dbraw/zinc/51/28/17/372512817.db2.gz DPVZUVIVWOPDOT-VUUYWXRKSA-N 1 1 264.300 3.042 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H]1CF ZINC000293889688 372512826 /nfs/dbraw/zinc/51/28/26/372512826.db2.gz DPVZUVIVWOPDOT-VUUYWXRKSA-N 1 1 264.300 3.042 20 5 CGBDMO C[C@@H]1C[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000432321981 372558183 /nfs/dbraw/zinc/55/81/83/372558183.db2.gz JQKIRIVSPAAMEI-NXEZZACHSA-N 1 1 295.770 3.285 20 5 CGBDMO COC1(CC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000294112357 372584822 /nfs/dbraw/zinc/58/48/22/372584822.db2.gz MZDXPFLOHNJKEF-UHFFFAOYSA-N 1 1 292.379 3.028 20 5 CGBDMO O=[N+]([O-])c1ccccc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433800074 372633966 /nfs/dbraw/zinc/63/39/66/372633966.db2.gz BCFGNJPUFKWWSK-CYBMUJFWSA-N 1 1 275.352 3.024 20 5 CGBDMO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296224248 373057323 /nfs/dbraw/zinc/05/73/23/373057323.db2.gz ZXCIZAZXUGRERD-NWDGAFQWSA-N 1 1 288.351 3.223 20 5 CGBDMO CN(C)c1ccccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000173572267 373160052 /nfs/dbraw/zinc/16/00/52/373160052.db2.gz NKSXYUXQOUIGAV-UHFFFAOYSA-N 1 1 299.374 3.293 20 5 CGBDMO CN(C)c1ccccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000173572267 373160054 /nfs/dbraw/zinc/16/00/54/373160054.db2.gz NKSXYUXQOUIGAV-UHFFFAOYSA-N 1 1 299.374 3.293 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000298752982 373400607 /nfs/dbraw/zinc/40/06/07/373400607.db2.gz HQYQCRCJGFGAOY-OAHLLOKOSA-N 1 1 271.320 3.260 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000298752982 373400615 /nfs/dbraw/zinc/40/06/15/373400615.db2.gz HQYQCRCJGFGAOY-OAHLLOKOSA-N 1 1 271.320 3.260 20 5 CGBDMO C[C@@H]([N@@H+](C)Cc1csc([N+](=O)[O-])c1)C1(C)CC1 ZINC000177221368 373665523 /nfs/dbraw/zinc/66/55/23/373665523.db2.gz XZEQZWXUXQTYTJ-SECBINFHSA-N 1 1 254.355 3.277 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000302745646 373951035 /nfs/dbraw/zinc/95/10/35/373951035.db2.gz PQLVCPFOQCEQRT-TXEJJXNPSA-N 1 1 278.352 3.081 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311706018 374253546 /nfs/dbraw/zinc/25/35/46/374253546.db2.gz MVJNOEFLHNXFPU-PHIMTYICSA-N 1 1 266.316 3.212 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1Cc2ccccc2C1 ZINC000183331473 374403755 /nfs/dbraw/zinc/40/37/55/374403755.db2.gz NCDPOGOKVUFTEJ-UHFFFAOYSA-N 1 1 268.316 3.419 20 5 CGBDMO CSC[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183378695 374407777 /nfs/dbraw/zinc/40/77/77/374407777.db2.gz CREPCHSQIQMPRA-CQSZACIVSA-N 1 1 280.393 3.231 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000183392883 374409683 /nfs/dbraw/zinc/40/96/83/374409683.db2.gz DGVBPSTVCRUQSM-INIZCTEOSA-N 1 1 292.379 3.150 20 5 CGBDMO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000187845961 375105845 /nfs/dbraw/zinc/10/58/45/375105845.db2.gz JYBSDBLXCKVJOU-JQWIXIFHSA-N 1 1 286.335 3.105 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CC[C@H]1CCCO1)C1CC1 ZINC000189731869 375441392 /nfs/dbraw/zinc/44/13/92/375441392.db2.gz ZUWNRSLWWRNYLL-OAHLLOKOSA-N 1 1 290.363 3.128 20 5 CGBDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000191638677 375646340 /nfs/dbraw/zinc/64/63/40/375646340.db2.gz YKPPTWMPOHSKLP-AWEZNQCLSA-N 1 1 298.408 3.029 20 5 CGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCCCO1 ZINC000338363811 376351049 /nfs/dbraw/zinc/35/10/49/376351049.db2.gz YXEAOMFLFWTUHL-MRXNPFEDSA-N 1 1 292.379 3.028 20 5 CGBDMO CC[C@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000542701870 376570421 /nfs/dbraw/zinc/57/04/21/376570421.db2.gz QQXRNIDQMHTOAK-NSHDSACASA-N 1 1 250.342 3.381 20 5 CGBDMO CCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338940623 376588698 /nfs/dbraw/zinc/58/86/98/376588698.db2.gz CUQZCYNNPDPEKX-UHFFFAOYSA-N 1 1 276.258 3.455 20 5 CGBDMO C[C@H](CNc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000339001439 376621233 /nfs/dbraw/zinc/62/12/33/376621233.db2.gz HQPBHJSCCMYJHM-QWHCGFSZSA-N 1 1 277.368 3.270 20 5 CGBDMO C[N@H+](CCOc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000248058521 377264282 /nfs/dbraw/zinc/26/42/82/377264282.db2.gz PBJGDIRPJYNWTH-UHFFFAOYSA-N 1 1 286.331 3.106 20 5 CGBDMO C[N@@H+](CCOc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000248058521 377264297 /nfs/dbraw/zinc/26/42/97/377264297.db2.gz PBJGDIRPJYNWTH-UHFFFAOYSA-N 1 1 286.331 3.106 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000341133892 377412449 /nfs/dbraw/zinc/41/24/49/377412449.db2.gz XBOZAMYGKVYISR-TXEJJXNPSA-N 1 1 295.358 3.409 20 5 CGBDMO CCOC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000313359536 249091268 /nfs/dbraw/zinc/09/12/68/249091268.db2.gz RLHQSZYTVNNAIV-CQSZACIVSA-N 1 1 296.342 3.125 20 5 CGBDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000313359536 249091270 /nfs/dbraw/zinc/09/12/70/249091270.db2.gz RLHQSZYTVNNAIV-CQSZACIVSA-N 1 1 296.342 3.125 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000518152959 249276025 /nfs/dbraw/zinc/27/60/25/249276025.db2.gz SQTZCQWFPJCSCL-LLVKDONJSA-N 1 1 284.306 3.380 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252672635 377647880 /nfs/dbraw/zinc/64/78/80/377647880.db2.gz BRSYKBPJMGZITI-NEPJUHHUSA-N 1 1 295.770 3.287 20 5 CGBDMO C[C@@H]1[C@H](C)SCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255002844 377723303 /nfs/dbraw/zinc/72/33/03/377723303.db2.gz MUANCIBOSZIRRM-XHSUHYBKSA-N 1 1 292.404 3.434 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOC2(CCCC2)C1 ZINC000268967086 378163467 /nfs/dbraw/zinc/16/34/67/378163467.db2.gz HHHQIOLCAHRRHR-CYBMUJFWSA-N 1 1 290.363 3.301 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOC2(CCCC2)C1 ZINC000268967086 378163471 /nfs/dbraw/zinc/16/34/71/378163471.db2.gz HHHQIOLCAHRRHR-CYBMUJFWSA-N 1 1 290.363 3.301 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000374007488 379362605 /nfs/dbraw/zinc/36/26/05/379362605.db2.gz HSAXYYVXMKQILR-ZDUSSCGKSA-N 1 1 272.304 3.177 20 5 CGBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000374343488 379427051 /nfs/dbraw/zinc/42/70/51/379427051.db2.gz YHHOFABLQHJQKQ-INIZCTEOSA-N 1 1 283.331 3.193 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@@H](C)C2(C)CC2)ccc1[N+](=O)[O-] ZINC000352540114 379849565 /nfs/dbraw/zinc/84/95/65/379849565.db2.gz HFKMKECFIIFNQS-NSHDSACASA-N 1 1 278.352 3.224 20 5 CGBDMO COc1cc(C[N@@H+](C)C(C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000352425956 379811856 /nfs/dbraw/zinc/81/18/56/379811856.db2.gz PAKQNZYKHMFGMH-UHFFFAOYSA-N 1 1 290.363 3.224 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352779512 379954413 /nfs/dbraw/zinc/95/44/13/379954413.db2.gz PPLKPCUFPOSPPY-NEPJUHHUSA-N 1 1 278.352 3.081 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000354108592 380328395 /nfs/dbraw/zinc/32/83/95/380328395.db2.gz VZEPSXBBPBWKQF-AWEZNQCLSA-N 1 1 260.337 3.135 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+](CC2CC2)C2CCC2)cs1 ZINC000355674221 380747401 /nfs/dbraw/zinc/74/74/01/380747401.db2.gz CJQGBEVFYMOWDA-UHFFFAOYSA-N 1 1 266.366 3.421 20 5 CGBDMO COc1cc(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000419372688 380819943 /nfs/dbraw/zinc/81/99/43/380819943.db2.gz MUHLATNPKLUTDN-SRVKXCTJSA-N 1 1 278.352 3.080 20 5 CGBDMO COC1CCC([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000360309490 381511373 /nfs/dbraw/zinc/51/13/73/381511373.db2.gz UYDNKKRSKGIJKD-UHFFFAOYSA-N 1 1 296.342 3.123 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC23CCC3)cc1F ZINC000367212956 382340061 /nfs/dbraw/zinc/34/00/61/382340061.db2.gz LBKWITAACZMFKM-UHFFFAOYSA-N 1 1 264.300 3.252 20 5 CGBDMO C[N@@H+](CCc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000055022754 392094185 /nfs/dbraw/zinc/09/41/85/392094185.db2.gz LQOHFKCGTGKCML-UHFFFAOYSA-N 1 1 288.322 3.408 20 5 CGBDMO CCC[N@@H+](CCc1ccccn1)Cc1cccc([N+](=O)[O-])c1 ZINC000289910882 392436033 /nfs/dbraw/zinc/43/60/33/392436033.db2.gz VASZYQYRWZRPSH-UHFFFAOYSA-N 1 1 299.374 3.445 20 5 CGBDMO C[C@H]1SCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1C ZINC000132538444 392460640 /nfs/dbraw/zinc/46/06/40/392460640.db2.gz DIMXVYRTBANLND-NXEZZACHSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@H]1SCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1C ZINC000132538444 392460645 /nfs/dbraw/zinc/46/06/45/392460645.db2.gz DIMXVYRTBANLND-NXEZZACHSA-N 1 1 284.356 3.060 20 5 CGBDMO CC(C)[C@@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505791769 392697434 /nfs/dbraw/zinc/69/74/34/392697434.db2.gz XIFIEALKVJDFRE-ZDUSSCGKSA-N 1 1 266.316 3.354 20 5 CGBDMO CC[C@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000511520678 392837875 /nfs/dbraw/zinc/83/78/75/392837875.db2.gz FYXTYUFQQDTCRK-GPAKFWEMSA-N 1 1 260.337 3.482 20 5 CGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000466936598 393074256 /nfs/dbraw/zinc/07/42/56/393074256.db2.gz UAXAGTAOXXHVSE-KGLIPLIRSA-N 1 1 292.379 3.484 20 5 CGBDMO CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000348561772 393124550 /nfs/dbraw/zinc/12/45/50/393124550.db2.gz YADMAZMRCZHOKQ-GDBMZVCRSA-N 1 1 292.379 3.063 20 5 CGBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC1CCCCC1 ZINC000350686866 393161263 /nfs/dbraw/zinc/16/12/63/393161263.db2.gz ZOGLBYZPQIBYDC-UHFFFAOYSA-N 1 1 294.399 3.084 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCOC(C)(C)C1 ZINC000470171281 393230002 /nfs/dbraw/zinc/23/00/02/393230002.db2.gz HRYVITQCEFXDTI-UKTHLTGXSA-N 1 1 290.363 3.109 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCOC(C)(C)C1 ZINC000470171281 393230007 /nfs/dbraw/zinc/23/00/07/393230007.db2.gz HRYVITQCEFXDTI-UKTHLTGXSA-N 1 1 290.363 3.109 20 5 CGBDMO CCC(C)(C)[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000471072740 393274492 /nfs/dbraw/zinc/27/44/92/393274492.db2.gz PIOGSSIYGWJQDK-UHFFFAOYSA-N 1 1 296.367 3.103 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000430241459 393548222 /nfs/dbraw/zinc/54/82/22/393548222.db2.gz VYPOTFPNKWEGOS-DGCLKSJQSA-N 1 1 278.352 3.224 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC(OC(C)(C)C)C1 ZINC000360815589 393593866 /nfs/dbraw/zinc/59/38/66/393593866.db2.gz XWLATUOQHVNQJY-UHFFFAOYSA-N 1 1 292.379 3.373 20 5 CGBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000489433925 393597213 /nfs/dbraw/zinc/59/72/13/393597213.db2.gz BWCJLQZIGKBSFN-LBPRGKRZSA-N 1 1 268.744 3.479 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CCO)CC1 ZINC000421023928 393581195 /nfs/dbraw/zinc/58/11/95/393581195.db2.gz WUMZUVXAYKNAAQ-KGLIPLIRSA-N 1 1 292.379 3.140 20 5 CGBDMO CC(C)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361062339 393662170 /nfs/dbraw/zinc/66/21/70/393662170.db2.gz USKXNOZFIQEEFM-ZQMJAJRESA-N 1 1 290.363 3.107 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)cs1 ZINC000449531333 393885110 /nfs/dbraw/zinc/88/51/10/393885110.db2.gz BLZQGVYAGOVUBU-OCCSQVGLSA-N 1 1 278.377 3.277 20 5 CGBDMO Cc1c(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000501787353 393861337 /nfs/dbraw/zinc/86/13/37/393861337.db2.gz WHAGEWUEVIRQFP-RYUDHWBXSA-N 1 1 262.353 3.381 20 5 CGBDMO COC[C@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000452073051 394050492 /nfs/dbraw/zinc/05/04/92/394050492.db2.gz ALLVMIFVLGNNTM-KGLIPLIRSA-N 1 1 292.379 3.404 20 5 CGBDMO C[C@@H](C1CC1)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000076912997 287036596 /nfs/dbraw/zinc/03/65/96/287036596.db2.gz HBOILRCLPUMGOE-LBPRGKRZSA-N 1 1 274.364 3.400 20 5 CGBDMO COCC1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119112103 287165327 /nfs/dbraw/zinc/16/53/27/287165327.db2.gz IVDQHOOGJKTYIB-UHFFFAOYSA-N 1 1 298.770 3.107 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccccc1[N+](=O)[O-] ZINC000021506208 171308232 /nfs/dbraw/zinc/30/82/32/171308232.db2.gz JICQGBFEGLSJRK-CYBMUJFWSA-N 1 1 277.368 3.271 20 5 CGBDMO CCC[C@]1(CO)CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000344236445 276053736 /nfs/dbraw/zinc/05/37/36/276053736.db2.gz MRJVRTVCBLJBLY-BBRMVZONSA-N 1 1 292.379 3.140 20 5 CGBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000301951767 276214233 /nfs/dbraw/zinc/21/42/33/276214233.db2.gz HTBSOVYVXRWFCD-DZGCQCFKSA-N 1 1 291.395 3.070 20 5 CGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1(F)CC1 ZINC000526969671 288154462 /nfs/dbraw/zinc/15/44/62/288154462.db2.gz KKVCCXOMAUWABH-UHFFFAOYSA-N 1 1 266.316 3.307 20 5 CGBDMO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cnn1C ZINC000037167624 280255858 /nfs/dbraw/zinc/25/58/58/280255858.db2.gz FCRVXPFXKINGAQ-QWRGUYRKSA-N 1 1 288.351 3.049 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000245526796 281020102 /nfs/dbraw/zinc/02/01/02/281020102.db2.gz PLCOJWHFAJPHQK-CZUORRHYSA-N 1 1 290.363 3.077 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000530963157 288321087 /nfs/dbraw/zinc/32/10/87/288321087.db2.gz UFNHEKWRQJHNRD-INIZCTEOSA-N 1 1 283.331 3.327 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000530963157 288321090 /nfs/dbraw/zinc/32/10/90/288321090.db2.gz UFNHEKWRQJHNRD-INIZCTEOSA-N 1 1 283.331 3.327 20 5 CGBDMO CCc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)on1 ZINC000531726013 288343629 /nfs/dbraw/zinc/34/36/29/288343629.db2.gz ZCCJPLBYUZKKDI-NSHDSACASA-N 1 1 289.335 3.304 20 5 CGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](CC3CC3)C2)c1 ZINC000550414455 289076551 /nfs/dbraw/zinc/07/65/51/289076551.db2.gz MYWUFBGNNDCEFR-CQSZACIVSA-N 1 1 290.363 3.096 20 5 CGBDMO CO[C@H]1C[C@@H]([N@@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000554872827 289315921 /nfs/dbraw/zinc/31/59/21/289315921.db2.gz CAAUQCXRNIOJOU-WOVASVFFSA-N 1 1 290.363 3.107 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H](C)CC ZINC000556379652 289388786 /nfs/dbraw/zinc/38/87/86/289388786.db2.gz NEHRLZIOPWVSEZ-GFCCVEGCSA-N 1 1 280.368 3.471 20 5 CGBDMO Cc1ccc(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])[nH+]c1 ZINC000565550426 322082088 /nfs/dbraw/zinc/08/20/88/322082088.db2.gz XLZHONLQVFJQGK-CYBMUJFWSA-N 1 1 269.304 3.398 20 5 CGBDMO Cc1cnc(CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000566166590 322107800 /nfs/dbraw/zinc/10/78/00/322107800.db2.gz BFDKIZJJPVBNMD-UHFFFAOYSA-N 1 1 299.374 3.281 20 5 CGBDMO C[C@@H]1CCCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000572466593 322338983 /nfs/dbraw/zinc/33/89/83/322338983.db2.gz BDSDVLWIRCGWKU-LLVKDONJSA-N 1 1 288.351 3.093 20 5 CGBDMO CCCC[N@@H+](C)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1C ZINC000572891798 322360090 /nfs/dbraw/zinc/36/00/90/322360090.db2.gz SWOKEHYQMUMSFL-CQSZACIVSA-N 1 1 293.411 3.113 20 5 CGBDMO CCCCN(C)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000572891798 322360094 /nfs/dbraw/zinc/36/00/94/322360094.db2.gz SWOKEHYQMUMSFL-CQSZACIVSA-N 1 1 293.411 3.113 20 5 CGBDMO Cc1ncncc1[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000583214390 329370137 /nfs/dbraw/zinc/37/01/37/329370137.db2.gz OAQXHEDBYHDPEY-NEPJUHHUSA-N 1 1 286.335 3.105 20 5 CGBDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000581278272 336035711 /nfs/dbraw/zinc/03/57/11/336035711.db2.gz PINQNDLOWLINOO-CYBMUJFWSA-N 1 1 282.409 3.477 20 5 CGBDMO CC(C)c1[nH+]ccn1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094775038 519880344 /nfs/dbraw/zinc/88/03/44/519880344.db2.gz AXTVWUDEEBCQLN-UHFFFAOYSA-N 1 1 263.272 3.102 20 5 CGBDMO C[N@@H+](CCOCC1CC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000094987362 522891854 /nfs/dbraw/zinc/89/18/54/522891854.db2.gz VRAXDOFPVZGFFO-UHFFFAOYSA-N 1 1 298.770 3.107 20 5 CGBDMO CCCC[C@H](CN)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423298270 528955978 /nfs/dbraw/zinc/95/59/78/528955978.db2.gz NVGAFZMJLOFZSN-GXTWGEPZSA-N 1 1 279.384 3.071 20 5 CGBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCCC3(C2)CCCCCC3)c1 ZINC000743386143 572656718 /nfs/dbraw/zinc/65/67/18/572656718.db2.gz TYLJPSUCDZNDAI-UHFFFAOYSA-N 1 1 292.383 3.185 20 5 CGBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCCC3(C2)CCCCCC3)c1 ZINC000743386143 572656719 /nfs/dbraw/zinc/65/67/19/572656719.db2.gz TYLJPSUCDZNDAI-UHFFFAOYSA-N 1 1 292.383 3.185 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1C2CCC1CC2 ZINC000746653630 572887607 /nfs/dbraw/zinc/88/76/07/572887607.db2.gz DRJBFDPOWXIEJH-UHFFFAOYSA-N 1 1 266.728 3.375 20 5 CGBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000747076664 572908113 /nfs/dbraw/zinc/90/81/13/572908113.db2.gz QLPWMVJAYYBGCW-AWEZNQCLSA-N 1 1 292.383 3.184 20 5 CGBDMO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000747222378 572919420 /nfs/dbraw/zinc/91/94/20/572919420.db2.gz AUQFLBMDQFBFFP-GHMZBOCLSA-N 1 1 297.786 3.451 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCSC[C@H]2C2CC2)cc1 ZINC000933916095 618378278 /nfs/dbraw/zinc/37/82/78/618378278.db2.gz OHRKTEYIQAMATH-HNNXBMFYSA-N 1 1 292.404 3.312 20 5 CGBDMO Cc1ccc(C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000934770339 618686225 /nfs/dbraw/zinc/68/62/25/618686225.db2.gz XYZHMVSLQLWJGQ-HIFRSBDPSA-N 1 1 292.404 3.088 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000894687290 619604161 /nfs/dbraw/zinc/60/41/61/619604161.db2.gz AXKSUKRFMUEFRV-LBPRGKRZSA-N 1 1 266.728 3.233 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H]1C1CC1 ZINC000894687290 619604167 /nfs/dbraw/zinc/60/41/67/619604167.db2.gz AXKSUKRFMUEFRV-LBPRGKRZSA-N 1 1 266.728 3.233 20 5 CGBDMO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000905853513 622121086 /nfs/dbraw/zinc/12/10/86/622121086.db2.gz SDQBLYAEQYLTCJ-NEPJUHHUSA-N 1 1 286.335 3.105 20 5 CGBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761511748 627047285 /nfs/dbraw/zinc/04/72/85/627047285.db2.gz OWNKKSAVVOMNAR-ZJUUUORDSA-N 1 1 268.744 3.479 20 5 CGBDMO Cc1ccc(C[NH2+]Cc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000761973703 627076507 /nfs/dbraw/zinc/07/65/07/627076507.db2.gz QIAABHFERKDFCA-UHFFFAOYSA-N 1 1 292.285 3.471 20 5 CGBDMO Cc1nn(C[N@H+](C)[C@@H](C)C(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000764884788 627231796 /nfs/dbraw/zinc/23/17/96/627231796.db2.gz JTVRQIQPOXZNIA-LBPRGKRZSA-N 1 1 290.367 3.187 20 5 CGBDMO CC[C@@H]1CCC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764972655 627234879 /nfs/dbraw/zinc/23/48/79/627234879.db2.gz OKBFRMIPUNNQAC-GFCCVEGCSA-N 1 1 288.351 3.085 20 5 CGBDMO C[C@@H]1CCCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000775732240 628130612 /nfs/dbraw/zinc/13/06/12/628130612.db2.gz QNGQEYOKHUFDIY-LLVKDONJSA-N 1 1 266.316 3.356 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776584715 628221033 /nfs/dbraw/zinc/22/10/33/628221033.db2.gz PDLVPLDOXOQZET-WWGRRREGSA-N 1 1 292.379 3.139 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585000 628221055 /nfs/dbraw/zinc/22/10/55/628221055.db2.gz QTAGETCXTRCRHB-CZUORRHYSA-N 1 1 292.379 3.140 20 5 CGBDMO CC(C)[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584670 628221282 /nfs/dbraw/zinc/22/12/82/628221282.db2.gz OHDNWDUFFNYKLU-CVEARBPZSA-N 1 1 292.379 3.139 20 5 CGBDMO Cc1cccc(F)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000778093662 628325410 /nfs/dbraw/zinc/32/54/10/628325410.db2.gz LUTORXQUFFYWDI-UHFFFAOYSA-N 1 1 292.285 3.471 20 5 CGBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1(C)CCCC1 ZINC000786220267 628919596 /nfs/dbraw/zinc/91/95/96/628919596.db2.gz YWAJFSBTNXLIBP-UHFFFAOYSA-N 1 1 266.316 3.498 20 5 CGBDMO CC(C)CC[C@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000863658339 629636349 /nfs/dbraw/zinc/63/63/49/629636349.db2.gz MAJHHLYCHTYFBI-LBPRGKRZSA-N 1 1 290.323 3.081 20 5 CGBDMO CC[C@H]1CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000795650627 629706236 /nfs/dbraw/zinc/70/62/36/629706236.db2.gz UQIOUKWGWYANIY-JTQLQIEISA-N 1 1 254.717 3.233 20 5 CGBDMO CC[C@H]1CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000795650627 629706240 /nfs/dbraw/zinc/70/62/40/629706240.db2.gz UQIOUKWGWYANIY-JTQLQIEISA-N 1 1 254.717 3.233 20 5 CGBDMO Cc1c(CNc2ccc3[nH]c[nH+]c3c2)cccc1[N+](=O)[O-] ZINC000864035427 629732923 /nfs/dbraw/zinc/73/29/23/629732923.db2.gz LLKDTMRUPCNERH-UHFFFAOYSA-N 1 1 282.303 3.392 20 5 CGBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC(C)(C)C1 ZINC000796530613 629796799 /nfs/dbraw/zinc/79/67/99/629796799.db2.gz IGAYJXHCJGIXLN-GJZGRUSLSA-N 1 1 292.379 3.139 20 5 CGBDMO CCOC1CC([N@@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809774620 630804119 /nfs/dbraw/zinc/80/41/19/630804119.db2.gz VLPMTTSZTGCVSG-UHFFFAOYSA-N 1 1 298.770 3.248 20 5 CGBDMO Cc1[nH+]ccn1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809959516 630820731 /nfs/dbraw/zinc/82/07/31/630820731.db2.gz AKVRZRUYSIBPFD-UHFFFAOYSA-N 1 1 286.118 3.455 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CCc1ccccn1 ZINC000877317900 635024689 /nfs/dbraw/zinc/02/46/89/635024689.db2.gz FIWCGARMTSXFOH-UHFFFAOYSA-N 1 1 299.374 3.281 20 5 CGBDMO COCCCC[N@@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877593974 635105722 /nfs/dbraw/zinc/10/57/22/635105722.db2.gz LFKCRIDMFHOMNB-UHFFFAOYSA-N 1 1 280.368 3.070 20 5 CGBDMO CC(C)O[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000844379226 635884949 /nfs/dbraw/zinc/88/49/49/635884949.db2.gz OEBHWZXVFOQWGE-AWEZNQCLSA-N 1 1 296.342 3.123 20 5 CGBDMO CC(C)O[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000844379226 635884954 /nfs/dbraw/zinc/88/49/54/635884954.db2.gz OEBHWZXVFOQWGE-AWEZNQCLSA-N 1 1 296.342 3.123 20 5 CGBDMO CCOc1cc(C[N@H+]2CCC[C@@H](CF)C2)ccc1[N+](=O)[O-] ZINC000880236848 635947257 /nfs/dbraw/zinc/94/72/57/635947257.db2.gz KLGUPFJMLNROBC-ZDUSSCGKSA-N 1 1 296.342 3.175 20 5 CGBDMO CC(C)[N@H+](Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000885949262 637326359 /nfs/dbraw/zinc/32/63/59/637326359.db2.gz RXJMVDZWIMVZRV-UHFFFAOYSA-N 1 1 285.347 3.400 20 5 CGBDMO CC(C)[N@@H+](Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000885949262 637326363 /nfs/dbraw/zinc/32/63/63/637326363.db2.gz RXJMVDZWIMVZRV-UHFFFAOYSA-N 1 1 285.347 3.400 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000885963041 637333927 /nfs/dbraw/zinc/33/39/27/637333927.db2.gz JLJLRPRYGMLOIV-AWEZNQCLSA-N 1 1 275.352 3.144 20 5 CGBDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886038575 637378798 /nfs/dbraw/zinc/37/87/98/637378798.db2.gz YUZPGUWHYGKISJ-CJNGLKHVSA-N 1 1 297.358 3.368 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH+]2CC(CC3CC3)C2)cc1Cl ZINC000857066240 638448870 /nfs/dbraw/zinc/44/88/70/638448870.db2.gz GLPCRJKPSBHJLP-UHFFFAOYSA-N 1 1 280.755 3.480 20 5 CGBDMO C[C@H](c1ccc(Cl)cc1)[N@H+](CC[N+](=O)[O-])C1CC1 ZINC000929889022 638959275 /nfs/dbraw/zinc/95/92/75/638959275.db2.gz HEJNHWPKAVSEKX-SNVBAGLBSA-N 1 1 268.744 3.142 20 5 CGBDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](CC[N+](=O)[O-])C1CC1 ZINC000929889022 638959276 /nfs/dbraw/zinc/95/92/76/638959276.db2.gz HEJNHWPKAVSEKX-SNVBAGLBSA-N 1 1 268.744 3.142 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000247468266 640723006 /nfs/dbraw/zinc/72/30/06/640723006.db2.gz IYTVHYPNUMZHBU-SMDDNHRTSA-N 1 1 278.327 3.498 20 5 CGBDMO C[N@@H+](CCc1cccs1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774970 640802167 /nfs/dbraw/zinc/80/21/67/640802167.db2.gz FKZBORLSRJSDFR-UHFFFAOYSA-N 1 1 294.351 3.470 20 5 CGBDMO C[C@@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774876 640802640 /nfs/dbraw/zinc/80/26/40/640802640.db2.gz KKSYBPPDCUDQOE-LLVKDONJSA-N 1 1 266.316 3.498 20 5 CGBDMO Cc1c[nH]c(Nc2ccc(Br)cc2[N+](=O)[O-])[nH+]1 ZINC001253258441 806198836 /nfs/dbraw/zinc/19/88/36/806198836.db2.gz KINUICWAUDCTKZ-UHFFFAOYSA-N 1 1 297.112 3.132 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC001254550280 806448428 /nfs/dbraw/zinc/44/84/28/806448428.db2.gz HCKSHZGFJGZAOJ-QWHCGFSZSA-N 1 1 262.353 3.258 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001254559639 806450023 /nfs/dbraw/zinc/45/00/23/806450023.db2.gz LIXRZQXYTIAGRT-FPMFFAJLSA-N 1 1 274.364 3.114 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2occc2C1 ZINC001254563802 806451986 /nfs/dbraw/zinc/45/19/86/806451986.db2.gz CYNSIHASGJWWRV-LBPRGKRZSA-N 1 1 286.331 3.177 20 5 CGBDMO CCC[N@@H+](CC1CC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598817 806458722 /nfs/dbraw/zinc/45/87/22/806458722.db2.gz MATAHEVAPAWVKT-MRXNPFEDSA-N 1 1 274.364 3.184 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@H]3CCC[C@H]31)C2 ZINC001254604006 806459871 /nfs/dbraw/zinc/45/98/71/806459871.db2.gz SAPNOXLRMDBGSQ-JCURWCKSSA-N 1 1 286.375 3.327 20 5 CGBDMO CC[C@H](C)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037110113 798858940 /nfs/dbraw/zinc/85/89/40/798858940.db2.gz SGANIYMNOXVTJV-VIFPVBQESA-N 1 1 256.733 3.479 20 5 CGBDMO CCC[N@H+]1CC[C@@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000693032987 799806378 /nfs/dbraw/zinc/80/63/78/799806378.db2.gz XSJIEKUZGKNHFL-NSHDSACASA-N 1 1 297.786 3.392 20 5 CGBDMO Cc1ccc(C[NH2+]Cc2cnc(Cl)s2)cc1[N+](=O)[O-] ZINC000718189773 800214178 /nfs/dbraw/zinc/21/41/78/800214178.db2.gz MJQGVTULOHRNPI-UHFFFAOYSA-N 1 1 297.767 3.303 20 5 CGBDMO C[N@H+]1CCC[C@@H](CCNc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001165279401 806986025 /nfs/dbraw/zinc/98/60/25/806986025.db2.gz URHMGQZZWDQTCY-JTQLQIEISA-N 1 1 299.321 3.017 20 5 CGBDMO Cc1cc[nH+]c(C)c1Nc1cc([N+](=O)[O-])cnc1C ZINC001249544702 805170997 /nfs/dbraw/zinc/17/09/97/805170997.db2.gz RJDDDZDTUQAMBY-UHFFFAOYSA-N 1 1 258.281 3.054 20 5 CGBDMO C[N@@H+]1CCc2c(NCCC3CCC3)ccc([N+](=O)[O-])c2C1 ZINC001168891583 807536541 /nfs/dbraw/zinc/53/65/41/807536541.db2.gz XGFXWMZEMPIBRV-UHFFFAOYSA-N 1 1 289.379 3.185 20 5 CGBDMO C[N@H+]1CCc2c(NCCC3CCC3)ccc([N+](=O)[O-])c2C1 ZINC001168891583 807536545 /nfs/dbraw/zinc/53/65/45/807536545.db2.gz XGFXWMZEMPIBRV-UHFFFAOYSA-N 1 1 289.379 3.185 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCc3ccc(Cl)cc3C2)C1 ZINC001169007239 807551323 /nfs/dbraw/zinc/55/13/23/807551323.db2.gz MBTXFRCHLSZEOE-IAQYHMDHSA-N 1 1 294.782 3.144 20 5 CGBDMO C[C@@H]1c2ccccc2CC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008653 807551619 /nfs/dbraw/zinc/55/16/19/807551619.db2.gz SUAPLHGCYNDSJJ-NFAWXSAZSA-N 1 1 274.364 3.051 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC001169011981 807553432 /nfs/dbraw/zinc/55/34/32/807553432.db2.gz OGFWINLEZPWAGT-UHOFOFEASA-N 1 1 292.354 3.408 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]2c2cccc(F)c2)C1 ZINC001169034190 807555345 /nfs/dbraw/zinc/55/53/45/807555345.db2.gz FWTMBBXHSVRGKP-KCXAZCMYSA-N 1 1 292.354 3.408 20 5 CGBDMO C[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037249 807555784 /nfs/dbraw/zinc/55/57/84/807555784.db2.gz RLPMAMDYRJDYPX-GXTWGEPZSA-N 1 1 282.771 3.217 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3ccccc3)C2)C1 ZINC001169029569 807556255 /nfs/dbraw/zinc/55/62/55/807556255.db2.gz UJMBSZGOSGSCQA-HYVNUMGLSA-N 1 1 288.391 3.311 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2c2cccs2)C1 ZINC001169030316 807556271 /nfs/dbraw/zinc/55/62/71/807556271.db2.gz YQSAIRRDAMUIFE-FRRDWIJNSA-N 1 1 280.393 3.330 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+](Cc2ccccc2)C2CCC2)C1 ZINC001169040927 807556936 /nfs/dbraw/zinc/55/69/36/807556936.db2.gz ADORUNPJPWWAHJ-NVXWUHKLSA-N 1 1 288.391 3.487 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)C1 ZINC001169042145 807557874 /nfs/dbraw/zinc/55/78/74/807557874.db2.gz DDVYIDKLLMXOMY-BYNSBNAKSA-N 1 1 286.375 3.019 20 5 CGBDMO CC[C@H](C)[N@@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170334763 807826921 /nfs/dbraw/zinc/82/69/21/807826921.db2.gz IFCCQOFJNFSNEI-NWDGAFQWSA-N 1 1 280.368 3.265 20 5 CGBDMO CSCC[N@@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911677 808476601 /nfs/dbraw/zinc/47/66/01/808476601.db2.gz DUERMEKZIIPTEX-AWEZNQCLSA-N 1 1 294.420 3.137 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@](C)(F)C1 ZINC001173220647 808539824 /nfs/dbraw/zinc/53/98/24/808539824.db2.gz BOTKHCGLXSNOIM-WFASDCNBSA-N 1 1 280.343 3.350 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCc1ccccn1 ZINC001173230520 808543702 /nfs/dbraw/zinc/54/37/02/808543702.db2.gz YQGQNGZLZPQYCD-AWEZNQCLSA-N 1 1 299.374 3.095 20 5 CGBDMO Nc1ccc2cc3ccc(Nc4[nH]cc[nH+]4)cc3nc2c1 ZINC001176083679 809617989 /nfs/dbraw/zinc/61/79/89/809617989.db2.gz ABLYBLREBJJMOR-UHFFFAOYSA-N 1 1 275.315 3.437 20 5 CGBDMO COc1ccc(Nc2ccc3[nH+]c(C)cn3c2)cc1[N+](=O)[O-] ZINC001176361098 809677119 /nfs/dbraw/zinc/67/71/19/809677119.db2.gz NHLWRYMISJMNOI-UHFFFAOYSA-N 1 1 298.302 3.303 20 5 CGBDMO C[C@H]1CN(c2ccsc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001187625012 810410447 /nfs/dbraw/zinc/41/04/47/810410447.db2.gz MPAGRKKLGNHWME-NSHDSACASA-N 1 1 295.408 3.109 20 5 CGBDMO CC[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC001193607426 810919071 /nfs/dbraw/zinc/91/90/71/810919071.db2.gz UCQRQZQNOCFLQL-GXSJLCMTSA-N 1 1 254.355 3.277 20 5 CGBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC001194624583 811096906 /nfs/dbraw/zinc/09/69/06/811096906.db2.gz HLZYYYPRWYOFBV-UHFFFAOYSA-N 1 1 280.368 3.342 20 5 CGBDMO Cc1c(C[N@@H+]2CCc3cc(O)ccc3C2)cccc1[N+](=O)[O-] ZINC001198827791 811545660 /nfs/dbraw/zinc/54/56/60/811545660.db2.gz GNJKETHYPODXNS-UHFFFAOYSA-N 1 1 298.342 3.167 20 5 CGBDMO Cc1c(C[N@H+]2CCc3cc(O)ccc3C2)cccc1[N+](=O)[O-] ZINC001198827791 811545665 /nfs/dbraw/zinc/54/56/65/811545665.db2.gz GNJKETHYPODXNS-UHFFFAOYSA-N 1 1 298.342 3.167 20 5 CGBDMO C[N@@H+]1CC=C(Nc2cc3cccnc3c3ncccc23)CC1 ZINC001208909421 813893079 /nfs/dbraw/zinc/89/30/79/813893079.db2.gz AFADOBDHWGEERP-UHFFFAOYSA-N 1 1 290.370 3.414 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1Nc1c(C)cc[nH+]c1C ZINC001210444603 814458722 /nfs/dbraw/zinc/45/87/22/814458722.db2.gz IPMCFHOJPOEBTG-UHFFFAOYSA-N 1 1 273.292 3.359 20 5 CGBDMO Cc1cc[nH+]c(C)c1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001210952166 814688745 /nfs/dbraw/zinc/68/87/45/814688745.db2.gz ZFIHLHGTLMUPHO-UHFFFAOYSA-N 1 1 261.256 3.489 20 5 CGBDMO C[C@@H](O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC001224020677 816721688 /nfs/dbraw/zinc/72/16/88/816721688.db2.gz ZNUHTOIEKQJYHW-FWYOQMDTSA-N 1 1 290.363 3.298 20 5 CGBDMO Cc1c(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC001225692956 817144597 /nfs/dbraw/zinc/14/45/97/817144597.db2.gz JDVXBJRSESLZMP-YWVIFJGQSA-N 1 1 290.363 3.012 20 5 CGBDMO CC[NH+]1CC(Oc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001225971532 817234533 /nfs/dbraw/zinc/23/45/33/817234533.db2.gz CINGWVWIIPGJOR-UHFFFAOYSA-N 1 1 298.342 3.345 20 5 CGBDMO C[N@H+]1CC[C@@H](Oc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001225973118 817235207 /nfs/dbraw/zinc/23/52/07/817235207.db2.gz OMJILEOJRWJBKV-QGZVFWFLSA-N 1 1 298.342 3.345 20 5 CGBDMO CC(C)[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001226810337 817472618 /nfs/dbraw/zinc/47/26/18/817472618.db2.gz MTHWJZAJXXDRFU-LBPRGKRZSA-N 1 1 298.770 3.500 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CCC[N@H+](C)CC1 ZINC001226990880 817527378 /nfs/dbraw/zinc/52/73/78/817527378.db2.gz YKBWFPMOXRWQMX-NSHDSACASA-N 1 1 298.770 3.420 20 5 CGBDMO CC[NH+]1CC(Oc2nc3ccccc3c3ccccc32)C1 ZINC001226993134 817528634 /nfs/dbraw/zinc/52/86/34/817528634.db2.gz SEEFZFZBMOKLDX-UHFFFAOYSA-N 1 1 278.355 3.471 20 5 CGBDMO CC(C)[N@H+]1CCC[C@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001228257748 817853182 /nfs/dbraw/zinc/85/31/82/817853182.db2.gz LFCKXINMOWSPLR-ZDUSSCGKSA-N 1 1 298.770 3.500 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(C)c1OC1C[NH+](C(C)(C)C)C1 ZINC001228570941 817941801 /nfs/dbraw/zinc/94/18/01/817941801.db2.gz IYEAGEPCIGUSNX-UHFFFAOYSA-N 1 1 278.352 3.073 20 5 CGBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1CC1 ZINC000094774531 927575619 /nfs/dbraw/zinc/57/56/19/927575619.db2.gz LCIKYBCLJSBANA-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO Cc1ccc(N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001458556708 937468531 /nfs/dbraw/zinc/46/85/31/937468531.db2.gz NCISSHJOIHHFPA-OAHLLOKOSA-N 1 1 291.395 3.070 20 5 CGBDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001459950414 937507777 /nfs/dbraw/zinc/50/77/77/937507777.db2.gz OGWTXXKVPALVBC-CZUORRHYSA-N 1 1 292.379 3.484 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001228920845 932051611 /nfs/dbraw/zinc/05/16/11/932051611.db2.gz JOACAVGCNIPPFQ-AWEZNQCLSA-N 1 1 278.352 3.155 20 5 CGBDMO CC[N@H+]1CCC[C@@H](Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229381611 932142814 /nfs/dbraw/zinc/14/28/14/932142814.db2.gz UAIQDSDDHCAMHQ-LLVKDONJSA-N 1 1 284.743 3.111 20 5 CGBDMO C[C@]12C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001308120102 933054120 /nfs/dbraw/zinc/05/41/20/933054120.db2.gz VTWFVBLBPIXTLZ-SFDCQRBFSA-N 1 1 290.388 3.300 20 5 CGBDMO COc1ccc(CNc2ccc3[nH]c[nH+]c3c2)cc1[N+](=O)[O-] ZINC001308398871 933106825 /nfs/dbraw/zinc/10/68/25/933106825.db2.gz NJJJNYOJSVHWLG-UHFFFAOYSA-N 1 1 298.302 3.092 20 5 CGBDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001318785276 933779968 /nfs/dbraw/zinc/77/99/68/933779968.db2.gz UJDOTHRDBZYSEX-CHWSQXEVSA-N 1 1 280.393 3.311 20 5 CGBDMO C[C@H](N[C@@H]1CCCC[C@H]1[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC001319383917 933866600 /nfs/dbraw/zinc/86/66/00/933866600.db2.gz PAYXOIPCKOCGJR-APHBMKBZSA-N 1 1 291.395 3.118 20 5 CGBDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC001559755828 938234569 /nfs/dbraw/zinc/23/45/69/938234569.db2.gz KJKAYYYSDODMAB-JSGCOSHPSA-N 1 1 277.368 3.390 20 5 CGBDMO C[C@H]1[C@@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC001559923411 938239108 /nfs/dbraw/zinc/23/91/08/938239108.db2.gz ZXISHRQPXMAKEN-JHJVBQTASA-N 1 1 262.353 3.114 20 5 CGBDMO Cc1ccc(C[NH2+][C@H](C)c2ccncc2F)cc1[N+](=O)[O-] ZINC000337948601 214327901 /nfs/dbraw/zinc/32/79/01/214327901.db2.gz IEEALRLPTLRUGE-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000338350919 214544624 /nfs/dbraw/zinc/54/46/24/214544624.db2.gz QLAJTWCCHGWUNO-UHFFFAOYSA-N 1 1 270.332 3.269 20 5 CGBDMO CS[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000295062724 199325897 /nfs/dbraw/zinc/32/58/97/199325897.db2.gz OLUXRHVAEORNAQ-NSHDSACASA-N 1 1 286.784 3.186 20 5 CGBDMO CS[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000295062724 199325898 /nfs/dbraw/zinc/32/58/98/199325898.db2.gz OLUXRHVAEORNAQ-NSHDSACASA-N 1 1 286.784 3.186 20 5 CGBDMO CC[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](CC)CO1 ZINC000593058783 347033604 /nfs/dbraw/zinc/03/36/04/347033604.db2.gz OMNSQQCAZBLXAQ-GDBMZVCRSA-N 1 1 292.379 3.027 20 5 CGBDMO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)CC(C)C ZINC000061188839 345226889 /nfs/dbraw/zinc/22/68/89/345226889.db2.gz SKAANUNZJFRWAZ-UHFFFAOYSA-N 1 1 280.368 3.008 20 5 CGBDMO C[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000063302464 345245565 /nfs/dbraw/zinc/24/55/65/345245565.db2.gz DGKUVRKXEUZDNV-CYBMUJFWSA-N 1 1 278.352 3.096 20 5 CGBDMO CCO[C@@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000076407495 345542668 /nfs/dbraw/zinc/54/26/68/345542668.db2.gz WLYPQAQOALTUQZ-SWLSCSKDSA-N 1 1 278.352 3.157 20 5 CGBDMO CCO[C@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000076407498 345542683 /nfs/dbraw/zinc/54/26/83/345542683.db2.gz WLYPQAQOALTUQZ-WFASDCNBSA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1ncc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000089512759 345769914 /nfs/dbraw/zinc/76/99/14/345769914.db2.gz YPDVSPXVKWLEAX-VIFPVBQESA-N 1 1 277.349 3.211 20 5 CGBDMO C[C@@H]1C[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000158468200 232237461 /nfs/dbraw/zinc/23/74/61/232237461.db2.gz OGMUWTGYCXFTNB-ZJUUUORDSA-N 1 1 283.759 3.143 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593695045 347105024 /nfs/dbraw/zinc/10/50/24/347105024.db2.gz GDBJCDPHBJJROZ-ZDUSSCGKSA-N 1 1 282.290 3.134 20 5 CGBDMO CC1(C)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000339257451 215044753 /nfs/dbraw/zinc/04/47/53/215044753.db2.gz RXFSZTSBSQDSCU-UHFFFAOYSA-N 1 1 254.355 3.278 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000594597022 347198431 /nfs/dbraw/zinc/19/84/31/347198431.db2.gz CBMXXBIYZWXLHX-GJZGRUSLSA-N 1 1 275.352 3.024 20 5 CGBDMO O=[N+]([O-])c1ccccc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594597958 347199184 /nfs/dbraw/zinc/19/91/84/347199184.db2.gz FKRKGAOQFQVELJ-TZMCWYRMSA-N 1 1 275.352 3.024 20 5 CGBDMO CC[C@H](C)[C@@H](C)[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595302041 347289451 /nfs/dbraw/zinc/28/94/51/347289451.db2.gz IQEFJHKGCHIIRN-GXSJLCMTSA-N 1 1 281.356 3.290 20 5 CGBDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595349941 347296081 /nfs/dbraw/zinc/29/60/81/347296081.db2.gz FYFVDMSZXRLDBG-PWSUYJOCSA-N 1 1 281.356 3.292 20 5 CGBDMO CC(C)[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595376486 347296430 /nfs/dbraw/zinc/29/64/30/347296430.db2.gz ITPBROOHDUXRJC-UHFFFAOYSA-N 1 1 296.342 3.123 20 5 CGBDMO Cc1noc(C[N@@H+]2CCCC[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000595384859 347297765 /nfs/dbraw/zinc/29/77/65/347297765.db2.gz QSTHIOZWJLEYHW-LBPRGKRZSA-N 1 1 281.356 3.292 20 5 CGBDMO C[C@@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595056933 347272667 /nfs/dbraw/zinc/27/26/67/347272667.db2.gz SZGQVLGNLPVCIX-TZMCWYRMSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595056933 347272671 /nfs/dbraw/zinc/27/26/71/347272671.db2.gz SZGQVLGNLPVCIX-TZMCWYRMSA-N 1 1 291.395 3.118 20 5 CGBDMO CC[C@@H](C)[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000595599069 347323515 /nfs/dbraw/zinc/32/35/15/347323515.db2.gz KPTDQBGCQACYFO-LLVKDONJSA-N 1 1 266.341 3.224 20 5 CGBDMO CC[C@@H](C)[N@H+](CC)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595597906 347323560 /nfs/dbraw/zinc/32/35/60/347323560.db2.gz CFWCWIKGGBDEKT-SECBINFHSA-N 1 1 272.295 3.493 20 5 CGBDMO CC[C@@H](C)[N@@H+](CC)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595597906 347323562 /nfs/dbraw/zinc/32/35/62/347323562.db2.gz CFWCWIKGGBDEKT-SECBINFHSA-N 1 1 272.295 3.493 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595616416 347328709 /nfs/dbraw/zinc/32/87/09/347328709.db2.gz BUVRCKGZFHSSMA-MLGOLLRUSA-N 1 1 290.363 3.157 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595616416 347328711 /nfs/dbraw/zinc/32/87/11/347328711.db2.gz BUVRCKGZFHSSMA-MLGOLLRUSA-N 1 1 290.363 3.157 20 5 CGBDMO CCn1ccc(C[N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595455100 347305727 /nfs/dbraw/zinc/30/57/27/347305727.db2.gz PQIOCKGMKHWMNH-UHFFFAOYSA-N 1 1 291.326 3.187 20 5 CGBDMO CCn1ccc(C[N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595455100 347305730 /nfs/dbraw/zinc/30/57/30/347305730.db2.gz PQIOCKGMKHWMNH-UHFFFAOYSA-N 1 1 291.326 3.187 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595807033 347357367 /nfs/dbraw/zinc/35/73/67/347357367.db2.gz HBRUOIUXCCVKIT-ONGXEEELSA-N 1 1 266.728 3.090 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595807033 347357368 /nfs/dbraw/zinc/35/73/68/347357368.db2.gz HBRUOIUXCCVKIT-ONGXEEELSA-N 1 1 266.728 3.090 20 5 CGBDMO Cc1noc(C[N@H+]2CC[C@H](CC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595521618 347315183 /nfs/dbraw/zinc/31/51/83/347315183.db2.gz FXRANAFBTOZGSM-LLVKDONJSA-N 1 1 281.356 3.149 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000596305904 347413875 /nfs/dbraw/zinc/41/38/75/347413875.db2.gz CPWJVRLMRBETJH-NSHDSACASA-N 1 1 295.358 3.266 20 5 CGBDMO CC[N@H+]1CCC[C@@H](CNc2cc(C)sc2[N+](=O)[O-])C1 ZINC000596095351 347382745 /nfs/dbraw/zinc/38/27/45/347382745.db2.gz PLAJGYZSHSSRPK-NSHDSACASA-N 1 1 283.397 3.109 20 5 CGBDMO CSC[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000292278951 198228542 /nfs/dbraw/zinc/22/85/42/198228542.db2.gz BPQRMGLWXZSOCJ-GFCCVEGCSA-N 1 1 280.393 3.170 20 5 CGBDMO CCOCC[N@@H+](CC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000157559155 188324590 /nfs/dbraw/zinc/32/45/90/188324590.db2.gz JFTOTFPFTNCTGC-GFCCVEGCSA-N 1 1 266.341 3.014 20 5 CGBDMO CCc1[nH+]ccn1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000108658184 138360442 /nfs/dbraw/zinc/36/04/42/138360442.db2.gz QCOMYVZYVKQRNB-UHFFFAOYSA-N 1 1 265.700 3.055 20 5 CGBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC1CCCCC1 ZINC000478424328 283268827 /nfs/dbraw/zinc/26/88/27/283268827.db2.gz FSJVAWWDHXSCON-UHFFFAOYSA-N 1 1 294.399 3.084 20 5 CGBDMO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)c1 ZINC000424191236 236131591 /nfs/dbraw/zinc/13/15/91/236131591.db2.gz HAXADRQFEIJPKM-HOTGVXAUSA-N 1 1 286.306 3.322 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000426464069 236296872 /nfs/dbraw/zinc/29/68/72/236296872.db2.gz XRQSAFDGTWTEEQ-ZFWWWQNUSA-N 1 1 260.337 3.012 20 5 CGBDMO COC1(C)CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000342159460 216242405 /nfs/dbraw/zinc/24/24/05/216242405.db2.gz UIAQUSPTCDSYNR-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000301580935 201078906 /nfs/dbraw/zinc/07/89/06/201078906.db2.gz SUUOZGNITSMGAV-CYBMUJFWSA-N 1 1 289.379 3.332 20 5 CGBDMO C[C@@]1(F)CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449349894 239334905 /nfs/dbraw/zinc/33/49/05/239334905.db2.gz KUCXFRFYTAZIND-IJVDHGTGSA-N 1 1 278.327 3.432 20 5 CGBDMO C[C@@]1(F)CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449349894 239334907 /nfs/dbraw/zinc/33/49/07/239334907.db2.gz KUCXFRFYTAZIND-IJVDHGTGSA-N 1 1 278.327 3.432 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(CF)CC1 ZINC000451395582 240292458 /nfs/dbraw/zinc/29/24/58/240292458.db2.gz QQGJCPFKOIPYHF-UHFFFAOYSA-N 1 1 286.734 3.430 20 5 CGBDMO CCC1(CC)C[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000459600121 242142672 /nfs/dbraw/zinc/14/26/72/242142672.db2.gz SBQLRBBWXHCZOK-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000459672414 242173469 /nfs/dbraw/zinc/17/34/69/242173469.db2.gz IGNFCCBWCUHVLK-HNNXBMFYSA-N 1 1 292.379 3.294 20 5 CGBDMO CC[C@H]1C[C@H](C)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000466936597 242584942 /nfs/dbraw/zinc/58/49/42/242584942.db2.gz UAXAGTAOXXHVSE-KBPBESRZSA-N 1 1 292.379 3.484 20 5 CGBDMO CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020092018 368800411 /nfs/dbraw/zinc/80/04/11/368800411.db2.gz ZWWVKQMWDQDUAN-DZGCQCFKSA-N 1 1 291.395 3.038 20 5 CGBDMO CC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020092018 368800415 /nfs/dbraw/zinc/80/04/15/368800415.db2.gz ZWWVKQMWDQDUAN-DZGCQCFKSA-N 1 1 291.395 3.038 20 5 CGBDMO Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000037775533 369109141 /nfs/dbraw/zinc/10/91/41/369109141.db2.gz KFPUCQNRBISTLV-NSHDSACASA-N 1 1 260.293 3.347 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccco1 ZINC000066564625 369697156 /nfs/dbraw/zinc/69/71/56/369697156.db2.gz CNXXSVCMJPNDBL-NSHDSACASA-N 1 1 260.293 3.381 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccco1 ZINC000066564625 369697162 /nfs/dbraw/zinc/69/71/62/369697162.db2.gz CNXXSVCMJPNDBL-NSHDSACASA-N 1 1 260.293 3.381 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCc2ccccn2)C2CC2)cc1 ZINC000130826150 371062540 /nfs/dbraw/zinc/06/25/40/371062540.db2.gz RBRFIQQGDMAFGO-UHFFFAOYSA-N 1 1 297.358 3.197 20 5 CGBDMO Cc1c([C@H](C)NC[C@@H](C)[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000130967239 371072539 /nfs/dbraw/zinc/07/25/39/371072539.db2.gz CAHREGFJBWQZKJ-YPMHNXCESA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1c([C@H](C)NC[C@@H](C)[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000130967239 371072548 /nfs/dbraw/zinc/07/25/48/371072548.db2.gz CAHREGFJBWQZKJ-YPMHNXCESA-N 1 1 291.395 3.037 20 5 CGBDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136915793 371487666 /nfs/dbraw/zinc/48/76/66/371487666.db2.gz FGZWXQKRKZRDBA-WQVCFCJDSA-N 1 1 292.379 3.139 20 5 CGBDMO CSCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000152578983 371705691 /nfs/dbraw/zinc/70/56/91/371705691.db2.gz CBHUBUOJIXIHFJ-UHFFFAOYSA-N 1 1 298.408 3.177 20 5 CGBDMO CSCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000152578983 371705695 /nfs/dbraw/zinc/70/56/95/371705695.db2.gz CBHUBUOJIXIHFJ-UHFFFAOYSA-N 1 1 298.408 3.177 20 5 CGBDMO CCC(=O)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000290063016 371893941 /nfs/dbraw/zinc/89/39/41/371893941.db2.gz PMBQAVXVMYNVRC-UHFFFAOYSA-N 1 1 290.363 3.319 20 5 CGBDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000161240709 372313087 /nfs/dbraw/zinc/31/30/87/372313087.db2.gz VHVUAKNAJCVVQL-JTQLQIEISA-N 1 1 286.372 3.307 20 5 CGBDMO CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000172018777 372885989 /nfs/dbraw/zinc/88/59/89/372885989.db2.gz OYURAIHJTQLNMD-UHFFFAOYSA-N 1 1 254.717 3.233 20 5 CGBDMO CC(C)[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000438322578 372923909 /nfs/dbraw/zinc/92/39/09/372923909.db2.gz BIXKPRNRLKGYGW-CYBMUJFWSA-N 1 1 262.353 3.463 20 5 CGBDMO CC(C)[N@@H+](CCc1cccnc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000172157076 372913641 /nfs/dbraw/zinc/91/36/41/372913641.db2.gz DJCUVHNDOZZKMY-UHFFFAOYSA-N 1 1 299.374 3.443 20 5 CGBDMO CO[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000441342763 373003842 /nfs/dbraw/zinc/00/38/42/373003842.db2.gz UGECXUOIXCIXHM-GHMZBOCLSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000441342763 373003847 /nfs/dbraw/zinc/00/38/47/373003847.db2.gz UGECXUOIXCIXHM-GHMZBOCLSA-N 1 1 298.770 3.248 20 5 CGBDMO Cc1c([C@H](C)N[C@@H](C)C[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000353569616 220164489 /nfs/dbraw/zinc/16/44/89/220164489.db2.gz RNQLAHLHCLHFSD-JSGCOSHPSA-N 1 1 293.411 3.283 20 5 CGBDMO Cc1c([C@H](C)[NH2+][C@@H](C)CN(C)C(C)C)cccc1[N+](=O)[O-] ZINC000353569616 220164492 /nfs/dbraw/zinc/16/44/92/220164492.db2.gz RNQLAHLHCLHFSD-JSGCOSHPSA-N 1 1 293.411 3.283 20 5 CGBDMO C[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)c2ccccc2C1 ZINC000353588024 220174371 /nfs/dbraw/zinc/17/43/71/220174371.db2.gz KNPGQDLUZMCFNI-UHFFFAOYSA-N 1 1 297.358 3.047 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ncccc1[N+](=O)[O-] ZINC000298682298 373380749 /nfs/dbraw/zinc/38/07/49/373380749.db2.gz AHXMZAVEWLEJJW-CYBMUJFWSA-N 1 1 292.383 3.056 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000448370753 373575689 /nfs/dbraw/zinc/57/56/89/373575689.db2.gz KONDCADSSMNIPA-HNNXBMFYSA-N 1 1 292.379 3.150 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000448370753 373575694 /nfs/dbraw/zinc/57/56/94/373575694.db2.gz KONDCADSSMNIPA-HNNXBMFYSA-N 1 1 292.379 3.150 20 5 CGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000301074432 373650320 /nfs/dbraw/zinc/65/03/20/373650320.db2.gz GOBQVVSIOIFLMR-VXGBXAGGSA-N 1 1 295.358 3.266 20 5 CGBDMO CC(C)[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000301389479 373770139 /nfs/dbraw/zinc/77/01/39/373770139.db2.gz YFSSGPSWVAXDJI-AWEZNQCLSA-N 1 1 297.786 3.025 20 5 CGBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000301389479 373770143 /nfs/dbraw/zinc/77/01/43/373770143.db2.gz YFSSGPSWVAXDJI-AWEZNQCLSA-N 1 1 297.786 3.025 20 5 CGBDMO C[C@@]12C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000449453005 373738164 /nfs/dbraw/zinc/73/81/64/373738164.db2.gz VTWFVBLBPIXTLZ-OSFYFWSMSA-N 1 1 290.388 3.300 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCO[C@H](C)C1 ZINC000182740581 374318923 /nfs/dbraw/zinc/31/89/23/374318923.db2.gz PQYSLPMXKXCPGH-OLZOCXBDSA-N 1 1 278.352 3.075 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000183355454 374405325 /nfs/dbraw/zinc/40/53/25/374405325.db2.gz SBPLQHWBJZXDRS-RYUDHWBXSA-N 1 1 280.393 3.229 20 5 CGBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CCS1 ZINC000183355676 374405947 /nfs/dbraw/zinc/40/59/47/374405947.db2.gz JGROKSGCNKUNDZ-CQSZACIVSA-N 1 1 280.393 3.231 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1(O)CCCCCC1 ZINC000187327355 375003823 /nfs/dbraw/zinc/00/38/23/375003823.db2.gz HJWUJDZLNNCSJT-UHFFFAOYSA-N 1 1 292.379 3.112 20 5 CGBDMO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000472295891 375018174 /nfs/dbraw/zinc/01/81/74/375018174.db2.gz PDHSORUHGFIXAW-GFCCVEGCSA-N 1 1 278.352 3.094 20 5 CGBDMO CC(C)[N@@H+](CC[C@H]1CCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000188879302 375286104 /nfs/dbraw/zinc/28/61/04/375286104.db2.gz GJVPOBDQODVWGC-MRXNPFEDSA-N 1 1 292.379 3.374 20 5 CGBDMO COCC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCC[C@H]1C ZINC000487976527 375290025 /nfs/dbraw/zinc/29/00/25/375290025.db2.gz ULRNGSUXNUEIGS-YPMHNXCESA-N 1 1 298.408 3.293 20 5 CGBDMO CCC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000336850228 376010783 /nfs/dbraw/zinc/01/07/83/376010783.db2.gz WOTHTCZZAYHVPK-BBRMVZONSA-N 1 1 293.411 3.223 20 5 CGBDMO CCC[N@@H+](CC)CCN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000224416325 376280234 /nfs/dbraw/zinc/28/02/34/376280234.db2.gz PBPZQMJXHYPHHY-MRXNPFEDSA-N 1 1 293.411 3.367 20 5 CGBDMO CCCN(CC)CC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000224416325 376280237 /nfs/dbraw/zinc/28/02/37/376280237.db2.gz PBPZQMJXHYPHHY-MRXNPFEDSA-N 1 1 293.411 3.367 20 5 CGBDMO CC(C)[C@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543396293 376635930 /nfs/dbraw/zinc/63/59/30/376635930.db2.gz FUFYMVNDIDOPTI-CYBMUJFWSA-N 1 1 268.744 3.479 20 5 CGBDMO CC(C)[C@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543396293 376635931 /nfs/dbraw/zinc/63/59/31/376635931.db2.gz FUFYMVNDIDOPTI-CYBMUJFWSA-N 1 1 268.744 3.479 20 5 CGBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000543860171 376684216 /nfs/dbraw/zinc/68/42/16/376684216.db2.gz RNXAFRJKJPDFMF-ZJUUUORDSA-N 1 1 268.744 3.479 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543860170 376685049 /nfs/dbraw/zinc/68/50/49/376685049.db2.gz RNXAFRJKJPDFMF-VHSXEESVSA-N 1 1 268.744 3.479 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000247230068 377180572 /nfs/dbraw/zinc/18/05/72/377180572.db2.gz DCGIKIVUBZWLFA-SMDDNHRTSA-N 1 1 278.327 3.498 20 5 CGBDMO CC[N@@H+]1CCCC[C@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000248184221 377276602 /nfs/dbraw/zinc/27/66/02/377276602.db2.gz XATXJABEOLYQLL-CJNGLKHVSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[N@H+]1CCCC[C@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000248184221 377276609 /nfs/dbraw/zinc/27/66/09/377276609.db2.gz XATXJABEOLYQLL-CJNGLKHVSA-N 1 1 291.395 3.120 20 5 CGBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000563367866 377453636 /nfs/dbraw/zinc/45/36/36/377453636.db2.gz SYOUHOXISPTBBP-UHFFFAOYSA-N 1 1 266.341 3.224 20 5 CGBDMO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c2nccn21 ZINC000574339516 377649846 /nfs/dbraw/zinc/64/98/46/377649846.db2.gz SGWPLWSDWSSXQX-DDTOSNHZSA-N 1 1 298.346 3.074 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000343107479 377904702 /nfs/dbraw/zinc/90/47/02/377904702.db2.gz RBNVBCATUTZHNF-LBPRGKRZSA-N 1 1 293.342 3.163 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC23CCCCC3)cc1 ZINC000578961233 378116684 /nfs/dbraw/zinc/11/66/84/378116684.db2.gz ZROVPCZHSXLOFB-UHFFFAOYSA-N 1 1 290.363 3.130 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOCC23CCCCC3)cc1 ZINC000578961233 378116688 /nfs/dbraw/zinc/11/66/88/378116688.db2.gz ZROVPCZHSXLOFB-UHFFFAOYSA-N 1 1 290.363 3.130 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000580272465 378236215 /nfs/dbraw/zinc/23/62/15/378236215.db2.gz GIHIHZGAXUCVKF-UHFFFAOYSA-N 1 1 295.342 3.279 20 5 CGBDMO Cc1ccc(C[N@H+](C)CCCOC(C)C)cc1[N+](=O)[O-] ZINC000271182998 378475753 /nfs/dbraw/zinc/47/57/53/378475753.db2.gz IKRMDQMRXKXUSL-UHFFFAOYSA-N 1 1 280.368 3.150 20 5 CGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC2(CCC2)C1 ZINC000348170131 378820673 /nfs/dbraw/zinc/82/06/73/378820673.db2.gz QZYOHWQCRBAWKX-UHFFFAOYSA-N 1 1 290.363 3.240 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC12CCC2 ZINC000373095584 379220539 /nfs/dbraw/zinc/22/05/39/379220539.db2.gz SOLFXMIPCLPMLC-UHFFFAOYSA-N 1 1 276.336 3.122 20 5 CGBDMO CC[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352426179 379812076 /nfs/dbraw/zinc/81/20/76/379812076.db2.gz RHKVJZCBELAVAC-LLVKDONJSA-N 1 1 266.341 3.081 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@@H](C)C2CCC2)ccc1[N+](=O)[O-] ZINC000352769578 379949996 /nfs/dbraw/zinc/94/99/96/379949996.db2.gz NNWFAUCHQYOTDJ-NSHDSACASA-N 1 1 278.352 3.224 20 5 CGBDMO CO[C@@H](CC(C)C)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000419275253 380792501 /nfs/dbraw/zinc/79/25/01/380792501.db2.gz YOYJWDWWKNINCN-INIZCTEOSA-N 1 1 294.395 3.130 20 5 CGBDMO CSc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000357341940 381113812 /nfs/dbraw/zinc/11/38/12/381113812.db2.gz DDFJFECQTVXHOW-UHFFFAOYSA-N 1 1 289.360 3.002 20 5 CGBDMO C[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000357717766 381264244 /nfs/dbraw/zinc/26/42/44/381264244.db2.gz SIMBTZASXNKLFZ-STQMWFEESA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000361346872 381709165 /nfs/dbraw/zinc/70/91/65/381709165.db2.gz REYVVXVZIKDNHH-CHWSQXEVSA-N 1 1 278.352 3.094 20 5 CGBDMO CCCC[N@H+](C)CCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000361400698 381732651 /nfs/dbraw/zinc/73/26/51/381732651.db2.gz RBOXHYSFCRGBBY-INIZCTEOSA-N 1 1 293.411 3.367 20 5 CGBDMO CCCC[N@@H+](C)CCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000361400698 381732659 /nfs/dbraw/zinc/73/26/59/381732659.db2.gz RBOXHYSFCRGBBY-INIZCTEOSA-N 1 1 293.411 3.367 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@H](C)CC2)c([N+](=O)[O-])cc1F ZINC000361649680 381858382 /nfs/dbraw/zinc/85/83/82/381858382.db2.gz FZYIAGMCCNZEAM-NSHDSACASA-N 1 1 296.342 3.365 20 5 CGBDMO C[C@H]1CCSCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361647675 381858740 /nfs/dbraw/zinc/85/87/40/381858740.db2.gz ZSJWNCONWQVDLR-AGLBCWCQSA-N 1 1 292.404 3.435 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3c2cccc3O)cs1 ZINC000105486837 285086541 /nfs/dbraw/zinc/08/65/41/285086541.db2.gz CNDOJSBJDBSOMA-LBPRGKRZSA-N 1 1 290.344 3.139 20 5 CGBDMO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509656308 392764064 /nfs/dbraw/zinc/76/40/64/392764064.db2.gz XKGGYCVWVABBGL-ZJUUUORDSA-N 1 1 284.306 3.493 20 5 CGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509656308 392764069 /nfs/dbraw/zinc/76/40/69/392764069.db2.gz XKGGYCVWVABBGL-ZJUUUORDSA-N 1 1 284.306 3.493 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1CCCC1 ZINC000511073846 392826534 /nfs/dbraw/zinc/82/65/34/392826534.db2.gz NGVSIAYTDXJKBC-UHFFFAOYSA-N 1 1 262.353 3.259 20 5 CGBDMO C[C@@H]1CCSCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000191811673 392833881 /nfs/dbraw/zinc/83/38/81/392833881.db2.gz ZSJWNCONWQVDLR-DIECRNLCSA-N 1 1 292.404 3.435 20 5 CGBDMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278249062 393316186 /nfs/dbraw/zinc/31/61/86/393316186.db2.gz OYANIOHFBTVFLT-ZDUSSCGKSA-N 1 1 293.323 3.123 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cccs1 ZINC000430199439 393537707 /nfs/dbraw/zinc/53/77/07/393537707.db2.gz BSXTZYQHPVLROT-UHFFFAOYSA-N 1 1 292.360 3.297 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cccs1 ZINC000430199439 393537713 /nfs/dbraw/zinc/53/77/13/393537713.db2.gz BSXTZYQHPVLROT-UHFFFAOYSA-N 1 1 292.360 3.297 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430199480 393538530 /nfs/dbraw/zinc/53/85/30/393538530.db2.gz BVIULWIKKAHHHP-CYBMUJFWSA-N 1 1 278.352 3.368 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000430200140 393538543 /nfs/dbraw/zinc/53/85/43/393538543.db2.gz FWOFVBJCZACDQF-NSHDSACASA-N 1 1 278.352 3.224 20 5 CGBDMO CC1=C[C@@H](C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430264909 393552333 /nfs/dbraw/zinc/55/23/33/393552333.db2.gz CAVIJSIHXSDKSG-SNVBAGLBSA-N 1 1 287.319 3.134 20 5 CGBDMO CC1=C[C@@H](C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430264909 393552338 /nfs/dbraw/zinc/55/23/38/393552338.db2.gz CAVIJSIHXSDKSG-SNVBAGLBSA-N 1 1 287.319 3.134 20 5 CGBDMO CO[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000443072670 393742727 /nfs/dbraw/zinc/74/27/27/393742727.db2.gz VPOAUWWRILTQPS-RLWBPUTGSA-N 1 1 290.363 3.107 20 5 CGBDMO CCOc1cc(C[N@H+]2CC[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000492580597 393757807 /nfs/dbraw/zinc/75/78/07/393757807.db2.gz FOQJVJPIKWUOBV-CQSZACIVSA-N 1 1 290.363 3.225 20 5 CGBDMO CCOc1cc(C[N@H+]2CC[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000492626969 393764720 /nfs/dbraw/zinc/76/47/20/393764720.db2.gz BWOBDEJFEPRCRY-AWEZNQCLSA-N 1 1 292.379 3.471 20 5 CGBDMO CC(C)C[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000500460197 393829016 /nfs/dbraw/zinc/82/90/16/393829016.db2.gz UQVAJDWLOUBCRZ-OAHLLOKOSA-N 1 1 292.379 3.484 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000449543121 393892595 /nfs/dbraw/zinc/89/25/95/393892595.db2.gz SCQGQCGCEWIOGR-HZPDHXFCSA-N 1 1 272.348 3.215 20 5 CGBDMO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000062051155 397637523 /nfs/dbraw/zinc/63/75/23/397637523.db2.gz XFFHWLAPGSCBRK-LBPRGKRZSA-N 1 1 271.320 3.149 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCOC2(CCC2)C1 ZINC000182976205 292295882 /nfs/dbraw/zinc/29/58/82/292295882.db2.gz ZRGQLZIUBNBCHR-ZDUSSCGKSA-N 1 1 290.363 3.219 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCOC2(CCC2)C1 ZINC000182976205 292295884 /nfs/dbraw/zinc/29/58/84/292295884.db2.gz ZRGQLZIUBNBCHR-ZDUSSCGKSA-N 1 1 290.363 3.219 20 5 CGBDMO COc1ccc(C[N@H+]2CCC[C@@H](C)CC2)cc1[N+](=O)[O-] ZINC000068828814 165047498 /nfs/dbraw/zinc/04/74/98/165047498.db2.gz DMGISRJJWPNKML-GFCCVEGCSA-N 1 1 278.352 3.225 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000075831830 165102851 /nfs/dbraw/zinc/10/28/51/165102851.db2.gz KIWNEIGVZDVCIX-UHFFFAOYSA-N 1 1 290.363 3.130 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000075831830 165102855 /nfs/dbraw/zinc/10/28/55/165102855.db2.gz KIWNEIGVZDVCIX-UHFFFAOYSA-N 1 1 290.363 3.130 20 5 CGBDMO COc1cc(C[N@@H+](C)CC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000092217644 165288307 /nfs/dbraw/zinc/28/83/07/165288307.db2.gz PMFMZYBUYAZFDE-UHFFFAOYSA-N 1 1 296.367 3.090 20 5 CGBDMO COc1ccc(C[NH2+]Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000021061758 171297055 /nfs/dbraw/zinc/29/70/55/171297055.db2.gz HNOOFPXURPOVCA-UHFFFAOYSA-N 1 1 290.294 3.032 20 5 CGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000127756906 287295274 /nfs/dbraw/zinc/29/52/74/287295274.db2.gz BTNUNBDXNWLRRB-WEVVVXLNSA-N 1 1 260.337 3.340 20 5 CGBDMO C[N@H+]1CCC[C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000044537704 175200173 /nfs/dbraw/zinc/20/01/73/175200173.db2.gz ATAMKNKANYOULY-SNVBAGLBSA-N 1 1 283.759 3.002 20 5 CGBDMO CC(C)(C)OCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130849735 287364971 /nfs/dbraw/zinc/36/49/71/287364971.db2.gz DTYPIIKXMDRHQF-UHFFFAOYSA-N 1 1 292.379 3.374 20 5 CGBDMO CC[C@H](C)C[N@@H+](CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000530902535 270203586 /nfs/dbraw/zinc/20/35/86/270203586.db2.gz LCBLBCUZGKALLY-LBPRGKRZSA-N 1 1 280.368 3.471 20 5 CGBDMO CC[C@H](C)[N@@H+](C)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531958983 270211580 /nfs/dbraw/zinc/21/15/80/270211580.db2.gz JZGGQSOFKKJUEB-UONOGXRCSA-N 1 1 293.411 3.284 20 5 CGBDMO CC[C@H](C)N(C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531958983 270211581 /nfs/dbraw/zinc/21/15/81/270211581.db2.gz JZGGQSOFKKJUEB-UONOGXRCSA-N 1 1 293.411 3.284 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@H]1CCCO1 ZINC000245513436 281020403 /nfs/dbraw/zinc/02/04/03/281020403.db2.gz AKJYZTBPUOEGGE-GXTWGEPZSA-N 1 1 278.352 3.075 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000531232709 288331214 /nfs/dbraw/zinc/33/12/14/288331214.db2.gz QPXFPCKLIWWBKO-MRXNPFEDSA-N 1 1 282.343 3.412 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000549545514 289046164 /nfs/dbraw/zinc/04/61/64/289046164.db2.gz XPQJZUJATOWHGT-WPGHFRTFSA-N 1 1 290.363 3.311 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000549545514 289046166 /nfs/dbraw/zinc/04/61/66/289046166.db2.gz XPQJZUJATOWHGT-WPGHFRTFSA-N 1 1 290.363 3.311 20 5 CGBDMO C[C@@H](C1CC1)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000551975930 289145159 /nfs/dbraw/zinc/14/51/59/289145159.db2.gz JUWPNXUBRYJTEZ-QMMMGPOBSA-N 1 1 270.279 3.103 20 5 CGBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000551975930 289145160 /nfs/dbraw/zinc/14/51/60/289145160.db2.gz JUWPNXUBRYJTEZ-QMMMGPOBSA-N 1 1 270.279 3.103 20 5 CGBDMO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425395415 534038769 /nfs/dbraw/zinc/03/87/69/534038769.db2.gz NKVLIFLNOIBKRD-SECBINFHSA-N 1 1 299.168 3.199 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425395415 534038774 /nfs/dbraw/zinc/03/87/74/534038774.db2.gz NKVLIFLNOIBKRD-SECBINFHSA-N 1 1 299.168 3.199 20 5 CGBDMO CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000439482133 529296826 /nfs/dbraw/zinc/29/68/26/529296826.db2.gz QUASXSJLWDHQHQ-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000439482133 529296827 /nfs/dbraw/zinc/29/68/27/529296827.db2.gz QUASXSJLWDHQHQ-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C[C@H](C)OC ZINC000462824598 535765817 /nfs/dbraw/zinc/76/58/17/535765817.db2.gz FHOFMYVQPCSTNU-XXYUJHKVSA-N 1 1 292.379 3.355 20 5 CGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC000750074371 573078979 /nfs/dbraw/zinc/07/89/79/573078979.db2.gz XKUYCUWSOZMDFX-DLBZAZTESA-N 1 1 298.342 3.075 20 5 CGBDMO CCCC[N@@H+](CC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000051266777 618240107 /nfs/dbraw/zinc/24/01/07/618240107.db2.gz VMFVGSQAGBGLHO-UHFFFAOYSA-N 1 1 254.305 3.356 20 5 CGBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174833775 624239455 /nfs/dbraw/zinc/23/94/55/624239455.db2.gz FPFVWLUIQVTYDI-VIFPVBQESA-N 1 1 268.744 3.479 20 5 CGBDMO CC[N@@H+](CCC1CC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000760882500 626999513 /nfs/dbraw/zinc/99/95/13/626999513.db2.gz XQKTXUHNIYZSKU-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761511745 627047236 /nfs/dbraw/zinc/04/72/36/627047236.db2.gz OWNKKSAVVOMNAR-VHSXEESVSA-N 1 1 268.744 3.479 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+](CCCCCCO)C2CC2)c1 ZINC000768544950 627485760 /nfs/dbraw/zinc/48/57/60/627485760.db2.gz VTLPDGPQOYWXDA-UHFFFAOYSA-N 1 1 292.379 3.112 20 5 CGBDMO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000772953213 627834282 /nfs/dbraw/zinc/83/42/82/627834282.db2.gz RXFJFLIJEBOABJ-SNVBAGLBSA-N 1 1 289.335 3.304 20 5 CGBDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774907278 628049202 /nfs/dbraw/zinc/04/92/02/628049202.db2.gz BPLXQQIURJIZTC-AWEZNQCLSA-N 1 1 293.323 3.125 20 5 CGBDMO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000793228265 629432629 /nfs/dbraw/zinc/43/26/29/629432629.db2.gz LYWRUOXMCJIAFY-RKDXNWHRSA-N 1 1 254.717 3.231 20 5 CGBDMO Cc1c([C@@H](C)[NH2+]Cc2cccnc2F)cccc1[N+](=O)[O-] ZINC000794832994 629583712 /nfs/dbraw/zinc/58/37/12/629583712.db2.gz IZVBNPZNTPPXLL-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000799735940 630228315 /nfs/dbraw/zinc/22/83/15/630228315.db2.gz DSQDUGRENBSSCL-ZYHUDNBSSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000799735940 630228318 /nfs/dbraw/zinc/22/83/18/630228318.db2.gz DSQDUGRENBSSCL-ZYHUDNBSSA-N 1 1 298.770 3.248 20 5 CGBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000804461742 630529675 /nfs/dbraw/zinc/52/96/75/630529675.db2.gz RWNKQYHYQSAYQZ-NSHDSACASA-N 1 1 297.786 3.026 20 5 CGBDMO CO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000824815087 633294162 /nfs/dbraw/zinc/29/41/62/633294162.db2.gz IHYTZWQGSKLJKX-QMTHXVAHSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000824815087 633294167 /nfs/dbraw/zinc/29/41/67/633294167.db2.gz IHYTZWQGSKLJKX-QMTHXVAHSA-N 1 1 298.770 3.105 20 5 CGBDMO C[C@@H]1C[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000122829306 633518777 /nfs/dbraw/zinc/51/87/77/633518777.db2.gz PCOPAEQAVQONPF-KOLCDFICSA-N 1 1 295.770 3.285 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000831773219 633999012 /nfs/dbraw/zinc/99/90/12/633999012.db2.gz MDIWETKBWNGEOM-AWEZNQCLSA-N 1 1 296.367 3.061 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000831773219 633999016 /nfs/dbraw/zinc/99/90/16/633999016.db2.gz MDIWETKBWNGEOM-AWEZNQCLSA-N 1 1 296.367 3.061 20 5 CGBDMO COC[C@@H]1CCC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876726405 634886890 /nfs/dbraw/zinc/88/68/90/634886890.db2.gz ZYHRERXXHDOCIH-CQSZACIVSA-N 1 1 292.379 3.070 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879962181 635889641 /nfs/dbraw/zinc/88/96/41/635889641.db2.gz OASZRTKSADYKIT-STQMWFEESA-N 1 1 292.379 3.139 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000885953985 637329175 /nfs/dbraw/zinc/32/91/75/637329175.db2.gz KWFBIVORVTZDRX-CYBMUJFWSA-N 1 1 289.360 3.388 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000885953985 637329179 /nfs/dbraw/zinc/32/91/79/637329179.db2.gz KWFBIVORVTZDRX-CYBMUJFWSA-N 1 1 289.360 3.388 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@@H+](CCc1ccccc1)C1CC1 ZINC000885966993 637336795 /nfs/dbraw/zinc/33/67/95/637336795.db2.gz FWYWHAISGFRQFN-UHFFFAOYSA-N 1 1 297.358 3.197 20 5 CGBDMO CC[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886013967 637363368 /nfs/dbraw/zinc/36/33/68/637363368.db2.gz ADABAXIWYWOIHC-LBPRGKRZSA-N 1 1 263.341 3.002 20 5 CGBDMO CC(C)CC[C@@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886044386 637383311 /nfs/dbraw/zinc/38/33/11/637383311.db2.gz WAIHEPPRGNXUGQ-AWEZNQCLSA-N 1 1 277.368 3.390 20 5 CGBDMO Cc1cc([C@@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])ccc1F ZINC000886111739 637418373 /nfs/dbraw/zinc/41/83/73/637418373.db2.gz HZPWOEWWJDQSNM-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO C[C@@H]([NH2+][C@@H]1CCc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000886561716 637582554 /nfs/dbraw/zinc/58/25/54/637582554.db2.gz HFNWTNFJOQTEDQ-BXUZGUMPSA-N 1 1 283.331 3.328 20 5 CGBDMO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ncco1 ZINC000926113685 638709738 /nfs/dbraw/zinc/70/97/38/638709738.db2.gz RQXDVODWNQWTPN-SECBINFHSA-N 1 1 295.726 3.130 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CCc1ccccn1 ZINC001254550027 806447764 /nfs/dbraw/zinc/44/77/64/806447764.db2.gz BPDPMMWILFVJCQ-CQSZACIVSA-N 1 1 299.374 3.095 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cscn1 ZINC001254557833 806449843 /nfs/dbraw/zinc/44/98/43/806449843.db2.gz BZPBJUUAKUIIBI-LLVKDONJSA-N 1 1 291.376 3.114 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cscn1 ZINC001254557833 806449846 /nfs/dbraw/zinc/44/98/46/806449846.db2.gz BZPBJUUAKUIIBI-LLVKDONJSA-N 1 1 291.376 3.114 20 5 CGBDMO CC[C@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254602773 806458408 /nfs/dbraw/zinc/45/84/08/806458408.db2.gz ISXPTUYIZSPJOG-LRDDRELGSA-N 1 1 274.364 3.184 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@H](C(F)F)C1)C2 ZINC001254602973 806458467 /nfs/dbraw/zinc/45/84/67/806458467.db2.gz JKHPPQLTCVCGDQ-BXUZGUMPSA-N 1 1 296.317 3.039 20 5 CGBDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000707697916 799978242 /nfs/dbraw/zinc/97/82/42/799978242.db2.gz UDQCNYXDXZSZRK-VXGBXAGGSA-N 1 1 298.383 3.450 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)ccc1Cl ZINC000711631737 800067319 /nfs/dbraw/zinc/06/73/19/800067319.db2.gz DAOGSVUSCCVANQ-PHIMTYICSA-N 1 1 298.795 3.043 20 5 CGBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC001164378790 806943602 /nfs/dbraw/zinc/94/36/02/806943602.db2.gz BFRCUBARBMLJQG-WCQGTBRESA-N 1 1 295.770 3.000 20 5 CGBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC001117761653 802490728 /nfs/dbraw/zinc/49/07/28/802490728.db2.gz YSMIYEHVEVPVPQ-UHFFFAOYSA-N 1 1 296.367 3.103 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCc3ccc(Cl)cc3C2)C1 ZINC001169007243 807551773 /nfs/dbraw/zinc/55/17/73/807551773.db2.gz MBTXFRCHLSZEOE-XHDPSFHLSA-N 1 1 294.782 3.144 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]2c2ccccc2F)C1 ZINC001169035746 807556188 /nfs/dbraw/zinc/55/61/88/807556188.db2.gz LNXHEVSQAHPFLL-WWGRRREGSA-N 1 1 292.354 3.408 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]3CCCC[C@H]32)C1 ZINC001169037726 807556233 /nfs/dbraw/zinc/55/62/33/807556233.db2.gz TWSHPMMZJYIVQW-APIJFGDWSA-N 1 1 266.385 3.086 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](c3ccccc3F)C2)C1 ZINC001169038421 807557139 /nfs/dbraw/zinc/55/71/39/807557139.db2.gz YSQHVDGSRCIQGE-MCIONIFRSA-N 1 1 292.354 3.060 20 5 CGBDMO COc1ccc(C[C@@H](C)[N@@H+](C)CC(C)C)c([N+](=O)[O-])c1 ZINC001170329606 807826603 /nfs/dbraw/zinc/82/66/03/807826603.db2.gz SHKKLNFPDSEAJG-GFCCVEGCSA-N 1 1 280.368 3.122 20 5 CGBDMO C[C@H]1[C@@H](C)[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC001171305259 808023802 /nfs/dbraw/zinc/02/38/02/808023802.db2.gz APTKXNXCTAQANE-OPRDCNLKSA-N 1 1 284.306 3.349 20 5 CGBDMO C[C@H]1[C@@H](C)[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC001171305259 808023810 /nfs/dbraw/zinc/02/38/10/808023810.db2.gz APTKXNXCTAQANE-OPRDCNLKSA-N 1 1 284.306 3.349 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184071 808533160 /nfs/dbraw/zinc/53/31/60/808533160.db2.gz CQOQMIYPJSXDFG-MNOVXSKESA-N 1 1 298.358 3.404 20 5 CGBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)CC2CC2)c1F ZINC001173184154 808533436 /nfs/dbraw/zinc/53/34/36/808533436.db2.gz LQHISWYEMFYUDA-JTQLQIEISA-N 1 1 296.342 3.015 20 5 CGBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)C(C)(C)C)c1F ZINC001173188152 808533816 /nfs/dbraw/zinc/53/38/16/808533816.db2.gz CUCTVPIGFHBSOG-JTQLQIEISA-N 1 1 298.358 3.404 20 5 CGBDMO CCO[C@H]1CCC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173227567 808541291 /nfs/dbraw/zinc/54/12/91/808541291.db2.gz QWQODLHCSXYPBG-CJNGLKHVSA-N 1 1 292.379 3.027 20 5 CGBDMO CC(C)O[C@@H]1CC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173234822 808545149 /nfs/dbraw/zinc/54/51/49/808545149.db2.gz UFHCMCATYQQXLA-CZUORRHYSA-N 1 1 292.379 3.025 20 5 CGBDMO COc1ccc(Nc2cc(C)cc(C)[nH+]2)cc1[N+](=O)[O-] ZINC001176359753 809675989 /nfs/dbraw/zinc/67/59/89/809675989.db2.gz MFMWRVQTCOSQCG-UHFFFAOYSA-N 1 1 273.292 3.359 20 5 CGBDMO Cc1ccc(Nc2c[nH+]c3ccccn23)cc1[N+](=O)[O-] ZINC001213661565 815319207 /nfs/dbraw/zinc/31/92/07/815319207.db2.gz NQFJJUGPRLBLNW-UHFFFAOYSA-N 1 1 268.276 3.295 20 5 CGBDMO Cc1[nH+]ccn1-c1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC001203575155 812396979 /nfs/dbraw/zinc/39/69/79/812396979.db2.gz ZHHLAWUQHUGWFF-UHFFFAOYSA-N 1 1 295.302 3.228 20 5 CGBDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc(/C=C/[N+](=O)[O-])cc2)C1 ZINC001229115076 932099094 /nfs/dbraw/zinc/09/90/94/932099094.db2.gz PJNGDAQWFQMDKF-SOGBHIHOSA-N 1 1 290.363 3.186 20 5 CGBDMO CC[N@H+]1CCC[C@@H](Oc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001229965135 932511478 /nfs/dbraw/zinc/51/14/78/932511478.db2.gz YOPCWVJLVTZOQI-LLVKDONJSA-N 1 1 284.743 3.111 20 5 CGBDMO CCC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC001308137503 933054539 /nfs/dbraw/zinc/05/45/39/933054539.db2.gz XKHXMAGSXOMMCC-ZDUSSCGKSA-N 1 1 266.316 3.498 20 5 CGBDMO COc1ccc(CC[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001323486320 934401237 /nfs/dbraw/zinc/40/12/37/934401237.db2.gz ZCQINNMLVANCDJ-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO COc1ccc(CC[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001323486320 934401240 /nfs/dbraw/zinc/40/12/40/934401240.db2.gz ZCQINNMLVANCDJ-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC001324437579 934505151 /nfs/dbraw/zinc/50/51/51/934505151.db2.gz CQVQGFJPHMHTNT-UHFFFAOYSA-N 1 1 266.341 3.224 20 5 CGBDMO O=[N+]([O-])CC[N@H+]1CCCC[C@@H]1CCCc1ccccc1 ZINC001473298917 937800968 /nfs/dbraw/zinc/80/09/68/937800968.db2.gz CJIQQACKUBXKGV-MRXNPFEDSA-N 1 1 276.380 3.141 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccn1C1CC1 ZINC001325128214 934888525 /nfs/dbraw/zinc/88/85/25/934888525.db2.gz KHSDDJAEUIEAOJ-UHFFFAOYSA-N 1 1 299.374 3.406 20 5 CGBDMO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC001559654182 938232232 /nfs/dbraw/zinc/23/22/32/938232232.db2.gz DCELOYQIVJZLCR-KBPBESRZSA-N 1 1 292.379 3.342 20 5 CGBDMO Cc1cccnc1[C@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC001560220849 938247641 /nfs/dbraw/zinc/24/76/41/938247641.db2.gz GTGCGFRTCISAFK-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C(F)F)C1 ZINC000590968918 346891936 /nfs/dbraw/zinc/89/19/36/346891936.db2.gz OHUSOZZKWLBEDX-BJMVGYQFSA-N 1 1 282.290 3.195 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C1CC1)C1CC1 ZINC000050988794 345086265 /nfs/dbraw/zinc/08/62/65/345086265.db2.gz VENZMWIENINTAF-UHFFFAOYSA-N 1 1 260.337 3.215 20 5 CGBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000048463016 345066499 /nfs/dbraw/zinc/06/64/99/345066499.db2.gz QLEQVMBTPCZEPX-UHFFFAOYSA-N 1 1 266.684 3.131 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000054174809 345130523 /nfs/dbraw/zinc/13/05/23/345130523.db2.gz JFIZNUKPCJAVAB-SNVBAGLBSA-N 1 1 254.355 3.278 20 5 CGBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000055900302 345157410 /nfs/dbraw/zinc/15/74/10/345157410.db2.gz VOCXJTMAXVNUSK-UHFFFAOYSA-N 1 1 278.352 3.238 20 5 CGBDMO CC[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000060208949 345212102 /nfs/dbraw/zinc/21/21/02/345212102.db2.gz CZACCHCZWXLYBC-NSHDSACASA-N 1 1 297.786 3.392 20 5 CGBDMO Cc1cc(NCC[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000064916260 345266668 /nfs/dbraw/zinc/26/66/68/345266668.db2.gz PYMKZICFTPHEFC-UHFFFAOYSA-N 1 1 299.374 3.447 20 5 CGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000065208234 345269330 /nfs/dbraw/zinc/26/93/30/345269330.db2.gz QMHKAMBPLIQCMY-UHFFFAOYSA-N 1 1 298.342 3.032 20 5 CGBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000075023029 345490927 /nfs/dbraw/zinc/49/09/27/345490927.db2.gz OSOMXKVNQGWCBL-QWRGUYRKSA-N 1 1 266.316 3.354 20 5 CGBDMO CS[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000295115481 199352886 /nfs/dbraw/zinc/35/28/86/199352886.db2.gz VQCVIWCFMWSNMN-DIECRNLCSA-N 1 1 278.377 3.045 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOc3ccccc3C2)cc1 ZINC000080103192 345665800 /nfs/dbraw/zinc/66/58/00/345665800.db2.gz SJIDNFSRVYGFNX-UHFFFAOYSA-N 1 1 298.342 3.032 20 5 CGBDMO COc1cccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1F ZINC000165838435 346185338 /nfs/dbraw/zinc/18/53/38/346185338.db2.gz QOEFYBVYEIYVQD-UHFFFAOYSA-N 1 1 290.294 3.032 20 5 CGBDMO CCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000127577044 187317042 /nfs/dbraw/zinc/31/70/42/187317042.db2.gz ZIWFSDZHKORECA-UHFFFAOYSA-N 1 1 274.267 3.038 20 5 CGBDMO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C1CC1 ZINC000589517701 346799724 /nfs/dbraw/zinc/79/97/24/346799724.db2.gz WRFGNJKKPLXGAZ-AWEZNQCLSA-N 1 1 278.327 3.354 20 5 CGBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C1CC1 ZINC000589517701 346799726 /nfs/dbraw/zinc/79/97/26/346799726.db2.gz WRFGNJKKPLXGAZ-AWEZNQCLSA-N 1 1 278.327 3.354 20 5 CGBDMO CC[C@H](C)[N@H+](CC)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595597907 347323617 /nfs/dbraw/zinc/32/36/17/347323617.db2.gz CFWCWIKGGBDEKT-VIFPVBQESA-N 1 1 272.295 3.493 20 5 CGBDMO CC[C@H](C)[N@@H+](CC)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595597907 347323618 /nfs/dbraw/zinc/32/36/18/347323618.db2.gz CFWCWIKGGBDEKT-VIFPVBQESA-N 1 1 272.295 3.493 20 5 CGBDMO Cc1c(C[N@H+]2CC3(CCC3)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000595676865 347336443 /nfs/dbraw/zinc/33/64/43/347336443.db2.gz VGZAKFJMPNYYMK-LBPRGKRZSA-N 1 1 290.363 3.047 20 5 CGBDMO Cc1c(C[N@@H+]2CC3(CCC3)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000595676865 347336446 /nfs/dbraw/zinc/33/64/46/347336446.db2.gz VGZAKFJMPNYYMK-LBPRGKRZSA-N 1 1 290.363 3.047 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC1=CCCOC1 ZINC000595747318 347349477 /nfs/dbraw/zinc/34/94/77/347349477.db2.gz LLXWRYLRDZYWDS-ZDUSSCGKSA-N 1 1 290.363 3.243 20 5 CGBDMO CC[N@@H+](CCC1CC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595437378 347303786 /nfs/dbraw/zinc/30/37/86/347303786.db2.gz GMSFHAOKKDNKMH-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000595450601 347305219 /nfs/dbraw/zinc/30/52/19/347305219.db2.gz VAHSHNZDJOMXJO-MFKMUULPSA-N 1 1 264.300 3.108 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595809858 347357320 /nfs/dbraw/zinc/35/73/20/347357320.db2.gz JUDPJVHGWOWNLR-YNEHKIRRSA-N 1 1 260.337 3.306 20 5 CGBDMO Cc1cc(N[C@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])s1 ZINC000596238537 347402150 /nfs/dbraw/zinc/40/21/50/347402150.db2.gz NQOQQZGKXWREJD-SECBINFHSA-N 1 1 271.386 3.105 20 5 CGBDMO Cc1cc(NCCCC[N@H+](C)C2CC2)c([N+](=O)[O-])s1 ZINC000596261955 347406999 /nfs/dbraw/zinc/40/69/99/347406999.db2.gz ZODSORHMXQBLBG-UHFFFAOYSA-N 1 1 283.397 3.251 20 5 CGBDMO C[N@H+](CC1=CCSC1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595890176 347370835 /nfs/dbraw/zinc/37/08/35/347370835.db2.gz ZDXWRQVWSQGRIL-UHFFFAOYSA-N 1 1 298.795 3.353 20 5 CGBDMO C[N@@H+](CC1=CCSC1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595890176 347370839 /nfs/dbraw/zinc/37/08/39/347370839.db2.gz ZDXWRQVWSQGRIL-UHFFFAOYSA-N 1 1 298.795 3.353 20 5 CGBDMO COc1ccc(C[N@@H+](C)C[C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000595912431 347371951 /nfs/dbraw/zinc/37/19/51/347371951.db2.gz LXHIJAHJWPBWIO-GFCCVEGCSA-N 1 1 278.352 3.081 20 5 CGBDMO O=[N+]([O-])c1sccc1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596569983 347480932 /nfs/dbraw/zinc/48/09/32/347480932.db2.gz FDWLEMIGQUREPV-GFCCVEGCSA-N 1 1 295.408 3.190 20 5 CGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000596571274 347481034 /nfs/dbraw/zinc/48/10/34/347481034.db2.gz RXBLAOSOSKXRQQ-CQSZACIVSA-N 1 1 289.379 3.129 20 5 CGBDMO C[C@H]1CC(F)(F)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000599623346 347758764 /nfs/dbraw/zinc/75/87/64/347758764.db2.gz OLXXUPTTWHWWOR-NSHDSACASA-N 1 1 284.306 3.257 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000600186718 347791155 /nfs/dbraw/zinc/79/11/55/347791155.db2.gz SDFRYGDMFWHBIA-BETUJISGSA-N 1 1 260.337 3.170 20 5 CGBDMO Cc1cc(C)c(Cn2cc([N+](=O)[O-])c(C3CC3)n2)c(C)[nH+]1 ZINC000601082231 347865635 /nfs/dbraw/zinc/86/56/35/347865635.db2.gz ZYTBTSLNTWBAFA-UHFFFAOYSA-N 1 1 286.335 3.037 20 5 CGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCCSCC3)c2c1 ZINC000601105220 347869451 /nfs/dbraw/zinc/86/94/51/347869451.db2.gz VRMIJIOWNRRJTR-UHFFFAOYSA-N 1 1 289.360 3.086 20 5 CGBDMO C[C@]1(CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1(F)F ZINC000601195887 347879444 /nfs/dbraw/zinc/87/94/44/347879444.db2.gz VISAKWSJYGIUOA-CYBMUJFWSA-N 1 1 293.273 3.022 20 5 CGBDMO CC[C@]1(O)CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000602983404 348052436 /nfs/dbraw/zinc/05/24/36/348052436.db2.gz JRVWIAQQHGRFCD-BBRMVZONSA-N 1 1 292.379 3.201 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000603859634 348099622 /nfs/dbraw/zinc/09/96/22/348099622.db2.gz LGOAZTHEZRKRDC-OKILXGFUSA-N 1 1 291.395 3.375 20 5 CGBDMO COc1cc(C[N@H+]2CCCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000351922715 219250174 /nfs/dbraw/zinc/25/01/74/219250174.db2.gz JOTSNKAHDAYDQQ-LBPRGKRZSA-N 1 1 278.352 3.368 20 5 CGBDMO C[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611501825 348457001 /nfs/dbraw/zinc/45/70/01/348457001.db2.gz ISNLZLBFDPWXEN-DOMZBBRYSA-N 1 1 296.342 3.044 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(Cl)o1 ZINC000612579651 348529751 /nfs/dbraw/zinc/52/97/51/348529751.db2.gz UQGDUYCDPSXEND-UHFFFAOYSA-N 1 1 280.711 3.439 20 5 CGBDMO C[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000358049305 233046603 /nfs/dbraw/zinc/04/66/03/233046603.db2.gz QTEXOQAFKGQQAH-LBPRGKRZSA-N 1 1 296.330 3.093 20 5 CGBDMO CC[C@@H]1CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352016577 219290752 /nfs/dbraw/zinc/29/07/52/219290752.db2.gz YHMWZNMIJPUTIJ-SECBINFHSA-N 1 1 270.279 3.247 20 5 CGBDMO CC[C@@H]1CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352016577 219290754 /nfs/dbraw/zinc/29/07/54/219290754.db2.gz YHMWZNMIJPUTIJ-SECBINFHSA-N 1 1 270.279 3.247 20 5 CGBDMO Cc1c(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000123712972 187105572 /nfs/dbraw/zinc/10/55/72/187105572.db2.gz YIRPYCWZRKKRKK-DOMZBBRYSA-N 1 1 292.379 3.029 20 5 CGBDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000292443972 198290539 /nfs/dbraw/zinc/29/05/39/198290539.db2.gz OSWRWFXJYGOAEI-CYBMUJFWSA-N 1 1 280.393 3.170 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCC[C@H]2F)cs1 ZINC000414511652 235422975 /nfs/dbraw/zinc/42/29/75/235422975.db2.gz LHRMGKFJAFTOHT-NXEZZACHSA-N 1 1 258.318 3.027 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CC(CC(F)F)C1 ZINC000425366970 236238224 /nfs/dbraw/zinc/23/82/24/236238224.db2.gz RAHQCFKFIAOBHL-HWKANZROSA-N 1 1 282.290 3.195 20 5 CGBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1ccc(F)cc1[N+](=O)[O-] ZINC000301475767 201022065 /nfs/dbraw/zinc/02/20/65/201022065.db2.gz WERMVGUUUVDOPT-CYBMUJFWSA-N 1 1 295.358 3.045 20 5 CGBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000301551240 201064410 /nfs/dbraw/zinc/06/44/10/201064410.db2.gz QRNIWNTWLGDJPP-ZWNOBZJWSA-N 1 1 297.786 3.025 20 5 CGBDMO Cc1ccc(NC[C@H]2CC[N@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000301584697 201080694 /nfs/dbraw/zinc/08/06/94/201080694.db2.gz ASJDNWWNHAUYDW-CQSZACIVSA-N 1 1 291.395 3.293 20 5 CGBDMO C[C@@H](CNc1sccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000302006304 201295212 /nfs/dbraw/zinc/29/52/12/201295212.db2.gz VRQHVUWGIIWJGK-MNOVXSKESA-N 1 1 283.397 3.189 20 5 CGBDMO Cc1cccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000451055326 240204405 /nfs/dbraw/zinc/20/44/05/240204405.db2.gz NYHKWFXMMGVHHY-UHFFFAOYSA-N 1 1 285.347 3.323 20 5 CGBDMO Cc1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461959060 242320214 /nfs/dbraw/zinc/32/02/14/242320214.db2.gz RUKMRZRIEKVZJT-WDEREUQCSA-N 1 1 293.342 3.079 20 5 CGBDMO CC1=C(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000483338495 243277501 /nfs/dbraw/zinc/27/75/01/243277501.db2.gz PVXVKPDPBWFTHY-UHFFFAOYSA-N 1 1 260.337 3.179 20 5 CGBDMO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000037563118 369088913 /nfs/dbraw/zinc/08/89/13/369088913.db2.gz SLJYAYLQMOJJAR-SECBINFHSA-N 1 1 278.333 3.213 20 5 CGBDMO Cc1c(C[N@@H+](CCO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000050106542 369429389 /nfs/dbraw/zinc/42/93/89/369429389.db2.gz BWLQYLMHNLPSEX-UHFFFAOYSA-N 1 1 292.379 3.030 20 5 CGBDMO CC(C)(C)OC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000118971501 370633082 /nfs/dbraw/zinc/63/30/82/370633082.db2.gz NSWPOSLXCMPLHR-UHFFFAOYSA-N 1 1 298.408 3.436 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000344020676 217012443 /nfs/dbraw/zinc/01/24/43/217012443.db2.gz XPQFNFAQTONFCW-AWEZNQCLSA-N 1 1 260.337 3.217 20 5 CGBDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000158718643 372081431 /nfs/dbraw/zinc/08/14/31/372081431.db2.gz JRWUVJVQPSIMKW-CJNGLKHVSA-N 1 1 292.379 3.110 20 5 CGBDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000160104400 372214191 /nfs/dbraw/zinc/21/41/91/372214191.db2.gz WVOKDLVHKYLNHU-JSGCOSHPSA-N 1 1 293.411 3.284 20 5 CGBDMO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000160104400 372214196 /nfs/dbraw/zinc/21/41/96/372214196.db2.gz WVOKDLVHKYLNHU-JSGCOSHPSA-N 1 1 293.411 3.284 20 5 CGBDMO CCOC1(C)CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000428740157 372258386 /nfs/dbraw/zinc/25/83/86/372258386.db2.gz ULNAIZHUCRFQHW-UHFFFAOYSA-N 1 1 296.342 3.125 20 5 CGBDMO CCCC[N@@H+](C)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163504065 372475562 /nfs/dbraw/zinc/47/55/62/372475562.db2.gz DIJXVHXSFDNEFC-AWEZNQCLSA-N 1 1 293.411 3.286 20 5 CGBDMO CCCCN(C)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163504065 372475573 /nfs/dbraw/zinc/47/55/73/372475573.db2.gz DIJXVHXSFDNEFC-AWEZNQCLSA-N 1 1 293.411 3.286 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000441441624 373012974 /nfs/dbraw/zinc/01/29/74/373012974.db2.gz RWNIBKYCXQPRLK-SWLSCSKDSA-N 1 1 290.363 3.368 20 5 CGBDMO Cc1cnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000173448397 373141842 /nfs/dbraw/zinc/14/18/42/373141842.db2.gz LKWVZGQLSLPMJV-JTQLQIEISA-N 1 1 277.349 3.211 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(C)C)C1 ZINC000446731630 373352584 /nfs/dbraw/zinc/35/25/84/373352584.db2.gz JXZAJLNOZXLYCT-LBPRGKRZSA-N 1 1 278.352 3.081 20 5 CGBDMO CN(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000353621797 220199344 /nfs/dbraw/zinc/19/93/44/220199344.db2.gz MXQGXUUCWHKVIK-UHFFFAOYSA-N 1 1 299.374 3.163 20 5 CGBDMO CCC[N@H+]1CC[C@@H](CNc2cccc(C)c2[N+](=O)[O-])C1 ZINC000302524419 373887611 /nfs/dbraw/zinc/88/76/11/373887611.db2.gz ZHXGLUZUVUUZEQ-ZDUSSCGKSA-N 1 1 277.368 3.047 20 5 CGBDMO COC[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000452085440 374230520 /nfs/dbraw/zinc/23/05/20/374230520.db2.gz NVAQDYZIEBCTBH-CQSZACIVSA-N 1 1 292.379 3.152 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](CCCO)C1 ZINC000452113475 374238837 /nfs/dbraw/zinc/23/88/37/374238837.db2.gz CAGFIQBYGBKVRI-KGLIPLIRSA-N 1 1 292.379 3.059 20 5 CGBDMO Cc1ccc(C[N@H+]2CCCC3(CC3)C2)cc1[N+](=O)[O-] ZINC000186614813 374887889 /nfs/dbraw/zinc/88/78/89/374887889.db2.gz VIHROJHSPKIOAA-UHFFFAOYSA-N 1 1 260.337 3.279 20 5 CGBDMO CC[C@@]1(CO)CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000187640737 375062538 /nfs/dbraw/zinc/06/25/38/375062538.db2.gz BMTLJUJEWGNXCA-XJKSGUPXSA-N 1 1 292.379 3.140 20 5 CGBDMO CCOc1cc(Cn2cc[nH+]c2C(C)C)ccc1[N+](=O)[O-] ZINC000491868417 375353659 /nfs/dbraw/zinc/35/36/59/375353659.db2.gz KPCQBSKVXOYMGP-UHFFFAOYSA-N 1 1 289.335 3.362 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCC23CCC3)cs1 ZINC000335717682 375373043 /nfs/dbraw/zinc/37/30/43/375373043.db2.gz SQUUKRPHFWBOQF-UHFFFAOYSA-N 1 1 252.339 3.175 20 5 CGBDMO Cc1cncc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000189930533 375460254 /nfs/dbraw/zinc/46/02/54/375460254.db2.gz WIYURGWCWZLRSP-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1cncc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000189930533 375460255 /nfs/dbraw/zinc/46/02/55/375460255.db2.gz WIYURGWCWZLRSP-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@@H]1C ZINC000508975826 375766188 /nfs/dbraw/zinc/76/61/88/375766188.db2.gz GZTAINDEADCAAH-UWVGGRQHSA-N 1 1 284.306 3.351 20 5 CGBDMO C[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@@H]1C ZINC000508975826 375766194 /nfs/dbraw/zinc/76/61/94/375766194.db2.gz GZTAINDEADCAAH-UWVGGRQHSA-N 1 1 284.306 3.351 20 5 CGBDMO C[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000508975827 375767005 /nfs/dbraw/zinc/76/70/05/375767005.db2.gz GZTAINDEADCAAH-VHSXEESVSA-N 1 1 284.306 3.351 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000508975827 375767010 /nfs/dbraw/zinc/76/70/10/375767010.db2.gz GZTAINDEADCAAH-VHSXEESVSA-N 1 1 284.306 3.351 20 5 CGBDMO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336813961 375967224 /nfs/dbraw/zinc/96/72/24/375967224.db2.gz VYYGNHHFXHJQDH-ZJUUUORDSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336813961 375967231 /nfs/dbraw/zinc/96/72/31/375967231.db2.gz VYYGNHHFXHJQDH-ZJUUUORDSA-N 1 1 284.356 3.060 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CC1CCCC1)C2 ZINC000534510740 375991597 /nfs/dbraw/zinc/99/15/97/375991597.db2.gz XCJOJMDDURCLLR-UHFFFAOYSA-N 1 1 260.337 3.143 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCCCO1 ZINC000263921525 190085490 /nfs/dbraw/zinc/08/54/90/190085490.db2.gz ZEIXJGHVSAQWSB-IUODEOHRSA-N 1 1 278.352 3.157 20 5 CGBDMO C[N@H+](C/C=C\c1ccncc1)CCc1cccc([N+](=O)[O-])c1 ZINC000338955829 376600962 /nfs/dbraw/zinc/60/09/62/376600962.db2.gz RLOQEIHVIUYEHV-HYXAFXHYSA-N 1 1 297.358 3.178 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](CC3CC3)C2)cc1 ZINC000339676476 376803968 /nfs/dbraw/zinc/80/39/68/376803968.db2.gz UKNUEXQXDXLNDG-CQSZACIVSA-N 1 1 260.337 3.217 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCCOC1 ZINC000245498372 376832912 /nfs/dbraw/zinc/83/29/12/376832912.db2.gz VYRZDCUCPRAAMQ-CHWSQXEVSA-N 1 1 278.352 3.014 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H](c2cccnc2)C2CC2)cs1 ZINC000340105485 376919489 /nfs/dbraw/zinc/91/94/89/376919489.db2.gz OYDOIKMGGCQFTG-CQSZACIVSA-N 1 1 289.360 3.292 20 5 CGBDMO CO[C@@H](CC(C)C)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000561235140 377214850 /nfs/dbraw/zinc/21/48/50/377214850.db2.gz ZGXVSAFNLINSFT-AWEZNQCLSA-N 1 1 292.379 3.014 20 5 CGBDMO C[C@H]([NH2+]Cc1ccc2c(n1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000562680834 377346878 /nfs/dbraw/zinc/34/68/78/377346878.db2.gz IWYRXWBUPFIMHQ-LBPRGKRZSA-N 1 1 297.358 3.329 20 5 CGBDMO Cc1ccc(C[N@@H+](C)CCC2CCOCC2)cc1[N+](=O)[O-] ZINC000129641450 249045487 /nfs/dbraw/zinc/04/54/87/249045487.db2.gz FDUUYDWPTOUESA-UHFFFAOYSA-N 1 1 292.379 3.152 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083169574 249006264 /nfs/dbraw/zinc/00/62/64/249006264.db2.gz XNYDFMLODAKDJU-LLVKDONJSA-N 1 1 289.335 3.358 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](c3cccnc3)C2)cs1 ZINC000517560681 249267537 /nfs/dbraw/zinc/26/75/37/249267537.db2.gz SSOIDFVNPAPWDZ-ZDUSSCGKSA-N 1 1 289.360 3.041 20 5 CGBDMO CO[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1C ZINC000342716403 377751297 /nfs/dbraw/zinc/75/12/97/377751297.db2.gz DJYPZUBVZQHUGZ-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1C ZINC000342716403 377751304 /nfs/dbraw/zinc/75/13/04/377751304.db2.gz DJYPZUBVZQHUGZ-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO CC(C)CO[C@@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000268350111 378054369 /nfs/dbraw/zinc/05/43/69/378054369.db2.gz DFIYIWQGUKPOTK-ZIAGYGMSSA-N 1 1 292.379 3.403 20 5 CGBDMO CC(C)OCCC[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266723565 378025752 /nfs/dbraw/zinc/02/57/52/378025752.db2.gz IHPVUSYGDOMPOD-CYBMUJFWSA-N 1 1 280.368 3.403 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346968739 218072384 /nfs/dbraw/zinc/07/23/84/218072384.db2.gz DWOMISRBHABXGG-HNNXBMFYSA-N 1 1 283.331 3.327 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000346968739 218072386 /nfs/dbraw/zinc/07/23/86/218072386.db2.gz DWOMISRBHABXGG-HNNXBMFYSA-N 1 1 283.331 3.327 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000347585384 218281539 /nfs/dbraw/zinc/28/15/39/218281539.db2.gz UEWKONNRLGMQGT-VXGBXAGGSA-N 1 1 278.352 3.081 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCCCO1 ZINC000266680349 190274474 /nfs/dbraw/zinc/27/44/74/190274474.db2.gz AFTUPMIWWCEGOM-OLZOCXBDSA-N 1 1 278.352 3.157 20 5 CGBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000267271036 190317007 /nfs/dbraw/zinc/31/70/07/190317007.db2.gz SHARBNMLUNLGII-NSHDSACASA-N 1 1 297.786 3.026 20 5 CGBDMO COc1cc(C[N@H+]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000352424851 379809979 /nfs/dbraw/zinc/80/99/79/379809979.db2.gz IOMQZYYWGQOYBW-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@@H](C)CC2)ccc1[N+](=O)[O-] ZINC000352407917 379799638 /nfs/dbraw/zinc/79/96/38/379799638.db2.gz WJANHSOXISYAGN-GFCCVEGCSA-N 1 1 278.352 3.225 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352541616 379850677 /nfs/dbraw/zinc/85/06/77/379850677.db2.gz ZYOGEEZBDBGLRM-RYUDHWBXSA-N 1 1 278.352 3.224 20 5 CGBDMO CO[C@H](CC(C)C)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000419275257 380793044 /nfs/dbraw/zinc/79/30/44/380793044.db2.gz YOYJWDWWKNINCN-MRXNPFEDSA-N 1 1 294.395 3.130 20 5 CGBDMO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000359865479 381377546 /nfs/dbraw/zinc/37/75/46/381377546.db2.gz APIOIZZDDLEUBF-CYBMUJFWSA-N 1 1 298.342 3.378 20 5 CGBDMO C[C@@H]1COc2ccccc2C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000359865479 381377553 /nfs/dbraw/zinc/37/75/53/381377553.db2.gz APIOIZZDDLEUBF-CYBMUJFWSA-N 1 1 298.342 3.378 20 5 CGBDMO C[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000361346876 381708816 /nfs/dbraw/zinc/70/88/16/381708816.db2.gz REYVVXVZIKDNHH-STQMWFEESA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@@H](C1CC1)[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000051881908 392074480 /nfs/dbraw/zinc/07/44/80/392074480.db2.gz JYRISGFIMWQURH-LBPRGKRZSA-N 1 1 290.363 3.237 20 5 CGBDMO COCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000361647220 392285027 /nfs/dbraw/zinc/28/50/27/392285027.db2.gz XJMJSNXEUIIKPL-HIFRSBDPSA-N 1 1 292.379 3.232 20 5 CGBDMO CC(C)CC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177016211 392659592 /nfs/dbraw/zinc/65/95/92/392659592.db2.gz MPWLDSLYBRGDDW-UHFFFAOYSA-N 1 1 277.324 3.214 20 5 CGBDMO CC(C)C[C@@H](C)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332707747 392698773 /nfs/dbraw/zinc/69/87/73/392698773.db2.gz XOCJCCHASLAAMI-GFCCVEGCSA-N 1 1 277.368 3.030 20 5 CGBDMO C[C@H]1CCSCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000191811686 392833870 /nfs/dbraw/zinc/83/38/70/392833870.db2.gz ZSJWNCONWQVDLR-BPJJOFIESA-N 1 1 292.404 3.435 20 5 CGBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000221019712 393004425 /nfs/dbraw/zinc/00/44/25/393004425.db2.gz LOKURYDMFBIIIB-LBPRGKRZSA-N 1 1 265.357 3.045 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000346962526 393098048 /nfs/dbraw/zinc/09/80/48/393098048.db2.gz GPRQKZGSXYXTMP-KRWDZBQOSA-N 1 1 297.358 3.369 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@@H](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000546833243 393077713 /nfs/dbraw/zinc/07/77/13/393077713.db2.gz JFFYRKYPOHAECV-GFCCVEGCSA-N 1 1 292.379 3.471 20 5 CGBDMO CC[C@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000470172319 393228998 /nfs/dbraw/zinc/22/89/98/393228998.db2.gz VCWLKWFNBWBBKG-WQMJKPAKSA-N 1 1 290.363 3.109 20 5 CGBDMO CC[C@H]1C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000470172319 393229003 /nfs/dbraw/zinc/22/90/03/393229003.db2.gz VCWLKWFNBWBBKG-WQMJKPAKSA-N 1 1 290.363 3.109 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H]1CCSC1 ZINC000470180402 393231872 /nfs/dbraw/zinc/23/18/72/393231872.db2.gz MPKUYIAAZINNQJ-PINLSGDHSA-N 1 1 292.404 3.435 20 5 CGBDMO Nc1cccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000420357500 393472798 /nfs/dbraw/zinc/47/27/98/393472798.db2.gz HYVFMUIHORAALK-UHFFFAOYSA-N 1 1 297.358 3.342 20 5 CGBDMO C[C@H]1CC[C@@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000429555455 393476720 /nfs/dbraw/zinc/47/67/20/393476720.db2.gz FJZYIWYESCOEBT-QWHCGFSZSA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000429568798 393484849 /nfs/dbraw/zinc/48/48/49/393484849.db2.gz PNVLOTCDSGZINY-CMPLNLGQSA-N 1 1 266.316 3.354 20 5 CGBDMO CC[C@@H](C)C[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430193112 393536265 /nfs/dbraw/zinc/53/62/65/393536265.db2.gz FBKQIPQMDNJOJS-GFCCVEGCSA-N 1 1 280.368 3.471 20 5 CGBDMO Cc1c(C[N@H+]2CC(C)=C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000430264472 393552235 /nfs/dbraw/zinc/55/22/35/393552235.db2.gz BHKNHLXVBDLSDR-NSHDSACASA-N 1 1 260.337 3.301 20 5 CGBDMO C[C@H](Cc1[nH]cc[nH+]1)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000360950180 393622603 /nfs/dbraw/zinc/62/26/03/393622603.db2.gz YZOYORYCPOGXSE-SECBINFHSA-N 1 1 295.726 3.119 20 5 CGBDMO CC[C@H](C)C[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000490059586 393629565 /nfs/dbraw/zinc/62/95/65/393629565.db2.gz NHWDSOGQMNRYHI-LBPRGKRZSA-N 1 1 280.368 3.471 20 5 CGBDMO C[C@@H]1CC2(CCC2)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000433238207 393701924 /nfs/dbraw/zinc/70/19/24/393701924.db2.gz FADWYSJJZKKMHL-CYBMUJFWSA-N 1 1 274.364 3.402 20 5 CGBDMO Cc1c(C[N@H+]2CCSC[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000451643817 394047142 /nfs/dbraw/zinc/04/71/42/394047142.db2.gz AAGRUJQZRPNBMG-OAHLLOKOSA-N 1 1 292.404 3.231 20 5 CGBDMO CO[C@]1(C)CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000330962056 286161176 /nfs/dbraw/zinc/16/11/76/286161176.db2.gz CBFWHDOXDNLICW-XJKSGUPXSA-N 1 1 292.379 3.465 20 5 CGBDMO CC(C)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000076904022 287036484 /nfs/dbraw/zinc/03/64/84/287036484.db2.gz ADOCPPMDFNTTME-UHFFFAOYSA-N 1 1 262.353 3.258 20 5 CGBDMO Cc1c(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000284833632 196140619 /nfs/dbraw/zinc/14/06/19/196140619.db2.gz QPOSOVMYNHHTBN-HOTGVXAUSA-N 1 1 290.363 3.047 20 5 CGBDMO Cc1c(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000284833636 196141228 /nfs/dbraw/zinc/14/12/28/196141228.db2.gz QPOSOVMYNHHTBN-JKSUJKDBSA-N 1 1 290.363 3.047 20 5 CGBDMO C[C@H](NCC[N@@H+](C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000071376797 176141817 /nfs/dbraw/zinc/14/18/17/176141817.db2.gz JWFVADJJJQYDCV-ZDUSSCGKSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@H]([NH2+]CCN(C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000071376797 176141818 /nfs/dbraw/zinc/14/18/18/176141818.db2.gz JWFVADJJJQYDCV-ZDUSSCGKSA-N 1 1 291.395 3.120 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccccc1F ZINC000037011430 260062039 /nfs/dbraw/zinc/06/20/39/260062039.db2.gz VNESAVZALDZFRP-UHFFFAOYSA-N 1 1 290.294 3.032 20 5 CGBDMO C[C@@H]1CCCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444650991 274284873 /nfs/dbraw/zinc/28/48/73/274284873.db2.gz FFCMCUORZYGLGG-LLVKDONJSA-N 1 1 288.351 3.236 20 5 CGBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493312798 279079842 /nfs/dbraw/zinc/07/98/42/279079842.db2.gz ZVTVZAGSCOHCFQ-VHSXEESVSA-N 1 1 268.744 3.479 20 5 CGBDMO Cc1cccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000275511155 281226686 /nfs/dbraw/zinc/22/66/86/281226686.db2.gz UZJMVGKUMYPKRJ-LBPRGKRZSA-N 1 1 286.335 3.010 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCCCCF)C2 ZINC000556499218 289394889 /nfs/dbraw/zinc/39/48/89/289394889.db2.gz CDEVZAPUEVUAQV-UHFFFAOYSA-N 1 1 266.316 3.093 20 5 CGBDMO C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)S1 ZINC000382379610 336086772 /nfs/dbraw/zinc/08/67/72/336086772.db2.gz QWZGSHUUQYVEPY-NXEZZACHSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cn1 ZINC000359641177 533925257 /nfs/dbraw/zinc/92/52/57/533925257.db2.gz MRUBYLMHHPVCOX-JTQLQIEISA-N 1 1 291.738 3.494 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)CCSC ZINC000126451758 525459136 /nfs/dbraw/zinc/45/91/36/525459136.db2.gz ZXOGJYBQLIXDRT-NSHDSACASA-N 1 1 298.408 3.177 20 5 CGBDMO CCCC[C@@H](CN)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423293776 528823987 /nfs/dbraw/zinc/82/39/87/528823987.db2.gz ASKGTGOWHBILOB-DZGCQCFKSA-N 1 1 279.384 3.153 20 5 CGBDMO CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173406241 529015233 /nfs/dbraw/zinc/01/52/33/529015233.db2.gz VIOGIHQMPFVFOD-BBRMVZONSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[N@H+]1CCCC[C@H]1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173406241 529015238 /nfs/dbraw/zinc/01/52/38/529015238.db2.gz VIOGIHQMPFVFOD-BBRMVZONSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[C@@H]([NH2+][C@@H](CN)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423535817 529202149 /nfs/dbraw/zinc/20/21/49/529202149.db2.gz YMXGPJFVMISOTH-CVEARBPZSA-N 1 1 291.395 3.153 20 5 CGBDMO COCC[C@@H](C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546331 536768179 /nfs/dbraw/zinc/76/81/79/536768179.db2.gz IVKSXCMJNNHSQM-HIFRSBDPSA-N 1 1 292.379 3.199 20 5 CGBDMO CCC[N@@H+](CC)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728900473 571846785 /nfs/dbraw/zinc/84/67/85/571846785.db2.gz JQXGAADUAVGRMH-UHFFFAOYSA-N 1 1 288.351 3.148 20 5 CGBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746675269 572890697 /nfs/dbraw/zinc/89/06/97/572890697.db2.gz RTKCLJLAWLMCKJ-UWVGGRQHSA-N 1 1 268.744 3.479 20 5 CGBDMO CC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852292971 618957585 /nfs/dbraw/zinc/95/75/85/618957585.db2.gz KDSQYWVWAFOVRA-SNVBAGLBSA-N 1 1 254.305 3.354 20 5 CGBDMO C[C@@H](CNc1cc(Cl)ccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000220126891 619096380 /nfs/dbraw/zinc/09/63/80/619096380.db2.gz KMEVNIMZGMHWST-VIFPVBQESA-N 1 1 283.759 3.143 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](CF)C2)cc1Cl ZINC000895573128 619851365 /nfs/dbraw/zinc/85/13/65/619851365.db2.gz NEICKDVFWNGDTI-JTQLQIEISA-N 1 1 272.707 3.040 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895777617 619884547 /nfs/dbraw/zinc/88/45/47/619884547.db2.gz WVLHENBVWPKFFK-BETUJISGSA-N 1 1 292.404 3.006 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCCF ZINC000895896109 619904431 /nfs/dbraw/zinc/90/44/31/619904431.db2.gz MQLBEAJXMBGWSA-XFXZXTDPSA-N 1 1 266.316 3.290 20 5 CGBDMO C[C@@H]1CCC[N@H+]1CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000788070497 625588268 /nfs/dbraw/zinc/58/82/68/625588268.db2.gz GQICBXUSOONJRH-SNVBAGLBSA-N 1 1 283.759 3.144 20 5 CGBDMO C[N@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774292 623461905 /nfs/dbraw/zinc/46/19/05/623461905.db2.gz NXSFWMOLTKAHKT-UHFFFAOYSA-N 1 1 280.324 3.427 20 5 CGBDMO C[N@@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774292 623461917 /nfs/dbraw/zinc/46/19/17/623461917.db2.gz NXSFWMOLTKAHKT-UHFFFAOYSA-N 1 1 280.324 3.427 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000252122993 623743992 /nfs/dbraw/zinc/74/39/92/623743992.db2.gz JPUOODSPAPTRSP-MNOVXSKESA-N 1 1 266.316 3.354 20 5 CGBDMO COCC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCCC1 ZINC000917100591 624240844 /nfs/dbraw/zinc/24/08/44/624240844.db2.gz SDICLSKEDHVJOC-UHFFFAOYSA-N 1 1 296.342 3.125 20 5 CGBDMO CC[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000755996080 626667570 /nfs/dbraw/zinc/66/75/70/626667570.db2.gz OWUXFEDOQBAHKG-SNVBAGLBSA-N 1 1 268.744 3.480 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(C(F)F)CC1 ZINC000766188972 627301736 /nfs/dbraw/zinc/30/17/36/627301736.db2.gz GBHXCNUWOILWCV-UHFFFAOYSA-N 1 1 288.269 3.211 20 5 CGBDMO Cc1c([C@H](C)NCC[N@@H+]2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000766270436 627308801 /nfs/dbraw/zinc/30/88/01/627308801.db2.gz BYNYXACYFIUMHL-JSGCOSHPSA-N 1 1 291.395 3.038 20 5 CGBDMO Cc1c([C@H](C)NCC[N@H+]2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000766270436 627308803 /nfs/dbraw/zinc/30/88/03/627308803.db2.gz BYNYXACYFIUMHL-JSGCOSHPSA-N 1 1 291.395 3.038 20 5 CGBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000767755712 627434913 /nfs/dbraw/zinc/43/49/13/627434913.db2.gz VCNLEKGABSNFNG-AWEZNQCLSA-N 1 1 292.383 3.184 20 5 CGBDMO C[C@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769104017 627522566 /nfs/dbraw/zinc/52/25/66/627522566.db2.gz VLXUFODGCDVNSE-VIFPVBQESA-N 1 1 299.168 3.199 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769104017 627522567 /nfs/dbraw/zinc/52/25/67/627522567.db2.gz VLXUFODGCDVNSE-VIFPVBQESA-N 1 1 299.168 3.199 20 5 CGBDMO CC(C)C[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774626879 628010048 /nfs/dbraw/zinc/01/00/48/628010048.db2.gz MCUSRKCVFPPXJB-UHFFFAOYSA-N 1 1 296.758 3.143 20 5 CGBDMO CCC(CC)[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776581347 628221214 /nfs/dbraw/zinc/22/12/14/628221214.db2.gz HOJPRFKDVBCQGI-INIZCTEOSA-N 1 1 292.379 3.281 20 5 CGBDMO CC(C)[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776591679 628222235 /nfs/dbraw/zinc/22/22/35/628222235.db2.gz FOEFVDVRHPHBAF-INIZCTEOSA-N 1 1 292.379 3.281 20 5 CGBDMO C[C@H](Cc1[nH]cc[nH+]1)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000782912954 628667444 /nfs/dbraw/zinc/66/74/44/628667444.db2.gz MOIIYTWWPLTXIB-SECBINFHSA-N 1 1 295.726 3.119 20 5 CGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCOCC1 ZINC000801524194 630340569 /nfs/dbraw/zinc/34/05/69/630340569.db2.gz FIIUZSUKDUXSBI-UHFFFAOYSA-N 1 1 296.342 3.123 20 5 CGBDMO C[N@@H+](CCC(N)=O)Cc1c2ccccc2cc2ccccc21 ZINC000809713590 630788246 /nfs/dbraw/zinc/78/82/46/630788246.db2.gz JODJYKRSOUAYQY-UHFFFAOYSA-N 1 1 292.382 3.300 20 5 CGBDMO Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cn2)cc1[N+](=O)[O-] ZINC000866539236 633182803 /nfs/dbraw/zinc/18/28/03/633182803.db2.gz AAFKFMAMLQWNMU-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO C[C@H]([NH2+]CCOCC1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062934 633984807 /nfs/dbraw/zinc/98/48/07/633984807.db2.gz QTXBPMACRBLORW-NSHDSACASA-N 1 1 296.342 3.201 20 5 CGBDMO C[C@H]([NH2+]CC(C)(C)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872090379 634015351 /nfs/dbraw/zinc/01/53/51/634015351.db2.gz BZSWCQRFNMVNTR-QMMMGPOBSA-N 1 1 258.268 3.133 20 5 CGBDMO C[C@H]1CCC(C)(C)[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000832565290 634072696 /nfs/dbraw/zinc/07/26/96/634072696.db2.gz RSFYOAZRBPVMSG-JTQLQIEISA-N 1 1 266.316 3.497 20 5 CGBDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000877812885 635219043 /nfs/dbraw/zinc/21/90/43/635219043.db2.gz CDFCIKFUMXKFDX-GFCCVEGCSA-N 1 1 288.269 3.369 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](c3nccs3)C2)c1 ZINC000880315378 635972476 /nfs/dbraw/zinc/97/24/76/635972476.db2.gz LNJDYBHHFUAYJT-GFCCVEGCSA-N 1 1 289.360 3.041 20 5 CGBDMO CC(C)c1c[nH]c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000883131610 636549694 /nfs/dbraw/zinc/54/96/94/636549694.db2.gz KIGMLMYCZSVSBH-NSHDSACASA-N 1 1 288.351 3.292 20 5 CGBDMO CCC[N@@H+](CC)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848476779 636579462 /nfs/dbraw/zinc/57/94/62/636579462.db2.gz GHLCGCMQTQKQOQ-UHFFFAOYSA-N 1 1 288.351 3.148 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)O[NH+]=C(N)[C@@H]1C[C@@H]1C ZINC000848517789 636584279 /nfs/dbraw/zinc/58/42/79/636584279.db2.gz GBVNZYZBVXVKDU-OUJBWJOFSA-N 1 1 277.324 3.119 20 5 CGBDMO CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886043886 637383902 /nfs/dbraw/zinc/38/39/02/637383902.db2.gz LYKUCZZVUYGZTC-GXTWGEPZSA-N 1 1 277.368 3.390 20 5 CGBDMO Cc1nnsc1[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000930236837 638985192 /nfs/dbraw/zinc/98/51/92/638985192.db2.gz ZJDOIBAMOUNTHI-RKDXNWHRSA-N 1 1 292.364 3.167 20 5 CGBDMO CC[C@H]1C[C@@H](C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254373771 806387550 /nfs/dbraw/zinc/38/75/50/806387550.db2.gz HJFXCVHDRHSIQB-LRDDRELGSA-N 1 1 290.363 3.116 20 5 CGBDMO CCO[C@H]1CCC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254558552 806449254 /nfs/dbraw/zinc/44/92/54/806449254.db2.gz CKMNGXPMDJEFNW-ZFWWWQNUSA-N 1 1 292.379 3.027 20 5 CGBDMO COC[C@H]1CCCC[N@H+]1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254553092 806449477 /nfs/dbraw/zinc/44/94/77/806449477.db2.gz SCLZJBMQGPCFKH-DZGCQCFKSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C(C)(C)C ZINC001254562583 806451446 /nfs/dbraw/zinc/45/14/46/806451446.db2.gz NMVFWNKCNGPUDO-NSHDSACASA-N 1 1 250.342 3.256 20 5 CGBDMO C[N@@H+](CC1CCCC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604971 806460016 /nfs/dbraw/zinc/46/00/16/806460016.db2.gz ZRDIUOCZKMRNJQ-INIZCTEOSA-N 1 1 274.364 3.184 20 5 CGBDMO C[N@@H+]1CCc2c(NC(C)(C)C3CC3)ccc([N+](=O)[O-])c2C1 ZINC001162521896 806607314 /nfs/dbraw/zinc/60/73/14/806607314.db2.gz ADLCNYDLQUMJJW-UHFFFAOYSA-N 1 1 289.379 3.183 20 5 CGBDMO C[N@H+]1CCc2c(NC(C)(C)C3CC3)ccc([N+](=O)[O-])c2C1 ZINC001162521896 806607317 /nfs/dbraw/zinc/60/73/17/806607317.db2.gz ADLCNYDLQUMJJW-UHFFFAOYSA-N 1 1 289.379 3.183 20 5 CGBDMO CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000037082226 798857690 /nfs/dbraw/zinc/85/76/90/798857690.db2.gz PISQHJNXTREXOO-UHFFFAOYSA-N 1 1 256.733 3.479 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](C3CC3)C2)c1 ZINC000400307436 799545067 /nfs/dbraw/zinc/54/50/67/799545067.db2.gz YIJQDWPMFMFFSN-NSHDSACASA-N 1 1 280.755 3.480 20 5 CGBDMO CC[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000712550187 800094100 /nfs/dbraw/zinc/09/41/00/800094100.db2.gz SVLLXQHZWQWRES-SNVBAGLBSA-N 1 1 285.294 3.039 20 5 CGBDMO C[C@@H]1[C@@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000719599494 800244664 /nfs/dbraw/zinc/24/46/64/800244664.db2.gz JQUFRNKOEHHXCB-SCZZXKLOSA-N 1 1 285.294 3.037 20 5 CGBDMO Cc1[nH+]ccn1CCNc1ccc([N+](=O)[O-])c2ccccc12 ZINC001163928377 806851682 /nfs/dbraw/zinc/85/16/82/806851682.db2.gz JDOCUHOGOYUGDT-UHFFFAOYSA-N 1 1 296.330 3.365 20 5 CGBDMO CC[N@@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC001164400447 806944609 /nfs/dbraw/zinc/94/46/09/806944609.db2.gz DGQLNWPXLGLUNA-NSHDSACASA-N 1 1 299.321 3.063 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCc3cc(Cl)ccc3C2)C1 ZINC001169036407 807555472 /nfs/dbraw/zinc/55/54/72/807555472.db2.gz OBXZNSBUYPYZKQ-XHDPSFHLSA-N 1 1 294.782 3.144 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CCC2)C1 ZINC001169040934 807556965 /nfs/dbraw/zinc/55/69/65/807556965.db2.gz ADORUNPJPWWAHJ-WBVHZDCISA-N 1 1 288.391 3.487 20 5 CGBDMO CC1(C)C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169039261 807557102 /nfs/dbraw/zinc/55/71/02/807557102.db2.gz OSEIKYGSLWJAQH-HIFRSBDPSA-N 1 1 288.391 3.225 20 5 CGBDMO C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)Cc1ccccc1 ZINC001169049149 807558420 /nfs/dbraw/zinc/55/84/20/807558420.db2.gz WAGCHPZGIIBSKD-JKSUJKDBSA-N 1 1 290.407 3.385 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC3(C2)CCCCC3)C1 ZINC001169050634 807560353 /nfs/dbraw/zinc/56/03/53/807560353.db2.gz CBXIBNDHAJOVBP-KGLIPLIRSA-N 1 1 266.385 3.088 20 5 CGBDMO COc1ccc(C[C@@H](C)[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170328681 807827085 /nfs/dbraw/zinc/82/70/85/807827085.db2.gz LJZDVPUTTOGKQS-CHWSQXEVSA-N 1 1 292.379 3.409 20 5 CGBDMO CC(C)C[N@@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908210 808476123 /nfs/dbraw/zinc/47/61/23/808476123.db2.gz LCRMUYLVSVWVLP-HNNXBMFYSA-N 1 1 276.380 3.430 20 5 CGBDMO CCC[N@@H+](CC)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226485 808541061 /nfs/dbraw/zinc/54/10/61/808541061.db2.gz LYYJJCBKRJXVPI-LBPRGKRZSA-N 1 1 250.342 3.258 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](CF)C1 ZINC001173228849 808541855 /nfs/dbraw/zinc/54/18/55/808541855.db2.gz ZKEYYIKFCDWFGZ-OCCSQVGLSA-N 1 1 280.343 3.207 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cncs1 ZINC001173230217 808543084 /nfs/dbraw/zinc/54/30/84/808543084.db2.gz CVUYJOLYKRQVMX-LLVKDONJSA-N 1 1 291.376 3.114 20 5 CGBDMO Cc1cn2cc(Nc3cccc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC001204440409 812639386 /nfs/dbraw/zinc/63/93/86/812639386.db2.gz YDNRJHVZDOFIDZ-UHFFFAOYSA-N 1 1 268.276 3.295 20 5 CGBDMO Cn1cncc1Nc1ccc2cc3ccc(N)cc3[nH+]c2c1 ZINC001211250034 814860761 /nfs/dbraw/zinc/86/07/61/814860761.db2.gz FBUFYYBJKGIISR-UHFFFAOYSA-N 1 1 289.342 3.447 20 5 CGBDMO O=[N+]([O-])c1cccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001226764846 817457798 /nfs/dbraw/zinc/45/77/98/817457798.db2.gz MQFCZMIUNORGJX-KRWDZBQOSA-N 1 1 298.342 3.248 20 5 CGBDMO F[C@@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218231 818282151 /nfs/dbraw/zinc/28/21/51/818282151.db2.gz DJKUBCYGPSSYCL-CQSZACIVSA-N 1 1 281.334 3.327 20 5 CGBDMO F[C@@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218231 818282156 /nfs/dbraw/zinc/28/21/56/818282156.db2.gz DJKUBCYGPSSYCL-CQSZACIVSA-N 1 1 281.334 3.327 20 5 CGBDMO CC[N@H+]1CC[C@@H](Oc2ccnc3c2ccc2cccnc23)C1 ZINC001234087097 818776446 /nfs/dbraw/zinc/77/64/46/818776446.db2.gz MBZOXOJGMVNEJU-CQSZACIVSA-N 1 1 293.370 3.256 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@]23CCCOC3)cs1 ZINC001473900372 937202485 /nfs/dbraw/zinc/20/24/85/937202485.db2.gz ADTGFPXUFXICII-AWEZNQCLSA-N 1 1 296.392 3.191 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@]23CCCOC3)cs1 ZINC001473900372 937202486 /nfs/dbraw/zinc/20/24/86/937202486.db2.gz ADTGFPXUFXICII-AWEZNQCLSA-N 1 1 296.392 3.191 20 5 CGBDMO CC(C)[N@H+]1CCC[C@H](Oc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230914856 928075494 /nfs/dbraw/zinc/07/54/94/928075494.db2.gz KYDYLWAYQKXODG-NSHDSACASA-N 1 1 298.770 3.500 20 5 CGBDMO CC(C)(C)[NH+]1CC(Oc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001229962316 932511641 /nfs/dbraw/zinc/51/16/41/932511641.db2.gz VALSCEIVLSMYDB-UHFFFAOYSA-N 1 1 284.743 3.110 20 5 CGBDMO Cc1cc(O[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1Cl ZINC001229974734 932513620 /nfs/dbraw/zinc/51/36/20/932513620.db2.gz IFGYNXXYMWTMLC-LLVKDONJSA-N 1 1 298.770 3.418 20 5 CGBDMO Cc1cc(OC2C[NH+](C(C)(C)C)C2)cc([N+](=O)[O-])c1C ZINC001230471482 932575992 /nfs/dbraw/zinc/57/59/92/932575992.db2.gz HRXJYNIEYDPDTA-UHFFFAOYSA-N 1 1 278.352 3.073 20 5 CGBDMO CC[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1C ZINC001307703300 932989789 /nfs/dbraw/zinc/98/97/89/932989789.db2.gz RCMHKNGYGVQTJU-NXEZZACHSA-N 1 1 284.306 3.493 20 5 CGBDMO CC[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1C ZINC001307703300 932989793 /nfs/dbraw/zinc/98/97/93/932989793.db2.gz RCMHKNGYGVQTJU-NXEZZACHSA-N 1 1 284.306 3.493 20 5 CGBDMO CC[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC001307703301 932989951 /nfs/dbraw/zinc/98/99/51/932989951.db2.gz RCMHKNGYGVQTJU-UWVGGRQHSA-N 1 1 284.306 3.493 20 5 CGBDMO CC[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC001307703301 932989955 /nfs/dbraw/zinc/98/99/55/932989955.db2.gz RCMHKNGYGVQTJU-UWVGGRQHSA-N 1 1 284.306 3.493 20 5 CGBDMO CCOc1cc(C[N@H+]2CC3CCC2CC3)ccc1[N+](=O)[O-] ZINC001321093566 934148993 /nfs/dbraw/zinc/14/89/93/934148993.db2.gz CFWVAEDWYGBGMD-UHFFFAOYSA-N 1 1 290.363 3.368 20 5 CGBDMO C=C/C=C/CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001473217736 937798277 /nfs/dbraw/zinc/79/82/77/937798277.db2.gz KEPMNPDVCLSJOW-ONEGZZNKSA-N 1 1 258.321 3.085 20 5 CGBDMO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001473214344 937797792 /nfs/dbraw/zinc/79/77/92/937797792.db2.gz UOMAIQZEGLKRHB-SECBINFHSA-N 1 1 299.168 3.199 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001473214344 937797794 /nfs/dbraw/zinc/79/77/94/937797794.db2.gz UOMAIQZEGLKRHB-SECBINFHSA-N 1 1 299.168 3.199 20 5 CGBDMO CCC[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001473859279 937825165 /nfs/dbraw/zinc/82/51/65/937825165.db2.gz FXLYASQTHZAJHU-LLVKDONJSA-N 1 1 288.351 3.236 20 5 CGBDMO CCC1(CC)CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001560120435 938244567 /nfs/dbraw/zinc/24/45/67/938244567.db2.gz WVUXSZSZPMJIHT-OAHLLOKOSA-N 1 1 292.379 3.283 20 5 CGBDMO Cc1ccc(NC[C@H]2[N@@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC001559184142 960604945 /nfs/dbraw/zinc/60/49/45/960604945.db2.gz WOEUWZOKAOUKSS-OAHLLOKOSA-N 1 1 291.395 3.436 20 5 CGBDMO CC[C@H](NC[C@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423334629 529622373 /nfs/dbraw/zinc/62/23/73/529622373.db2.gz QWQHCPYEEFQAEN-JKSUJKDBSA-N 1 1 291.395 3.025 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC000592188347 346970575 /nfs/dbraw/zinc/97/05/75/346970575.db2.gz MUMNOVYIZPGXCJ-CYBMUJFWSA-N 1 1 290.363 3.128 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC000592188347 346970576 /nfs/dbraw/zinc/97/05/76/346970576.db2.gz MUMNOVYIZPGXCJ-CYBMUJFWSA-N 1 1 290.363 3.128 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000593116562 347041335 /nfs/dbraw/zinc/04/13/35/347041335.db2.gz MJDRTKPUVPBQBY-ZDUSSCGKSA-N 1 1 282.290 3.134 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000046058602 345034080 /nfs/dbraw/zinc/03/40/80/345034080.db2.gz CBFBSWUCBGJHNL-GFCCVEGCSA-N 1 1 266.341 3.094 20 5 CGBDMO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCCC1 ZINC000047965380 345057065 /nfs/dbraw/zinc/05/70/65/345057065.db2.gz PHIZOVWAGHIHBS-UHFFFAOYSA-N 1 1 278.352 3.368 20 5 CGBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000051907686 345093896 /nfs/dbraw/zinc/09/38/96/345093896.db2.gz DWZQYMCNPLIVIF-UHFFFAOYSA-N 1 1 278.352 3.238 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000103472635 345921527 /nfs/dbraw/zinc/92/15/27/345921527.db2.gz DKSVOKMVIKVEAC-FZMZJTMJSA-N 1 1 278.327 3.498 20 5 CGBDMO CCOc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000315035567 346482643 /nfs/dbraw/zinc/48/26/43/346482643.db2.gz WXTHCFMRHUPHND-LBPRGKRZSA-N 1 1 295.383 3.134 20 5 CGBDMO COc1ccc2c(c1)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000594029083 347140357 /nfs/dbraw/zinc/14/03/57/347140357.db2.gz PBPDUVMSVLTJIC-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO CC1(C)CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595307929 347290184 /nfs/dbraw/zinc/29/01/84/347290184.db2.gz NJXXUYDEVXDLIO-UHFFFAOYSA-N 1 1 252.289 3.108 20 5 CGBDMO Cc1noc(C[N@H+]2CCCC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000595311118 347290290 /nfs/dbraw/zinc/29/02/90/347290290.db2.gz AMEJSYWBLVDARE-UHFFFAOYSA-N 1 1 293.367 3.438 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000339289537 215070394 /nfs/dbraw/zinc/07/03/94/215070394.db2.gz KWXWBZFARXLGAM-MRXNPFEDSA-N 1 1 285.347 3.303 20 5 CGBDMO C[C@H]1CCC(C)(C)[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595523562 347316008 /nfs/dbraw/zinc/31/60/08/347316008.db2.gz SUPZKZVIFVDJPT-JTQLQIEISA-N 1 1 266.316 3.497 20 5 CGBDMO CC12CC(C1)C[N@@H+]2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595918380 347372860 /nfs/dbraw/zinc/37/28/60/347372860.db2.gz ALJMUHPVPNZRSM-UHFFFAOYSA-N 1 1 266.728 3.233 20 5 CGBDMO CC12CC(C1)C[N@H+]2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595918380 347372861 /nfs/dbraw/zinc/37/28/61/347372861.db2.gz ALJMUHPVPNZRSM-UHFFFAOYSA-N 1 1 266.728 3.233 20 5 CGBDMO Cc1cc(NCCC[N@H+](C)C(C)C)c([N+](=O)[O-])s1 ZINC000596076751 347379446 /nfs/dbraw/zinc/37/94/46/347379446.db2.gz ORMHXEVVGSVIIS-UHFFFAOYSA-N 1 1 271.386 3.107 20 5 CGBDMO O=[N+]([O-])c1sccc1N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000596476293 347463686 /nfs/dbraw/zinc/46/36/86/347463686.db2.gz BUGPBLJCLOLEKW-LLVKDONJSA-N 1 1 295.408 3.475 20 5 CGBDMO Cc1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)ccn1 ZINC000598594968 347668585 /nfs/dbraw/zinc/66/85/85/347668585.db2.gz PPFLDQIFNYUFSD-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)ccn1 ZINC000598594968 347668587 /nfs/dbraw/zinc/66/85/87/347668587.db2.gz PPFLDQIFNYUFSD-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599165236 347722558 /nfs/dbraw/zinc/72/25/58/347722558.db2.gz OJROKGFBRSSZLB-CYBMUJFWSA-N 1 1 293.342 3.163 20 5 CGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CCC(F)(F)C3)c2c1 ZINC000601130247 347872748 /nfs/dbraw/zinc/87/27/48/347872748.db2.gz HHJKVXKWDLUHGH-SECBINFHSA-N 1 1 293.273 3.165 20 5 CGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCC[C@@H]3CC3(F)F)c2c1 ZINC000601199228 347879495 /nfs/dbraw/zinc/87/94/95/347879495.db2.gz OOWWMGKVRYSRGQ-SECBINFHSA-N 1 1 293.273 3.022 20 5 CGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1CCC(C)C ZINC000602786086 348028162 /nfs/dbraw/zinc/02/81/62/348028162.db2.gz VTFVCIARUKJMFT-CQSZACIVSA-N 1 1 294.399 3.000 20 5 CGBDMO CCCC[N@H+]1CCCC[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000608788510 348326927 /nfs/dbraw/zinc/32/69/27/348326927.db2.gz DDGKZJUBCDXORX-ZDUSSCGKSA-N 1 1 292.383 3.056 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ccc([N+](=O)[O-])s1 ZINC000609354024 348342721 /nfs/dbraw/zinc/34/27/21/348342721.db2.gz GZKXODKDRMXGAL-PHIMTYICSA-N 1 1 283.397 3.331 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3CC3)C2)c(Cl)c1 ZINC000609384305 348343208 /nfs/dbraw/zinc/34/32/08/348343208.db2.gz HRTYDMXJBVRBNW-LLVKDONJSA-N 1 1 295.770 3.144 20 5 CGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582308 348391152 /nfs/dbraw/zinc/39/11/52/348391152.db2.gz GJYDGSOMJMVVHE-WDEREUQCSA-N 1 1 289.335 3.356 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H]1C1CC1 ZINC000611268560 348433099 /nfs/dbraw/zinc/43/30/99/348433099.db2.gz PDFLRHPOXYDSHY-OMVNSRBRSA-N 1 1 272.348 3.482 20 5 CGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]43)co2)cc1 ZINC000611171721 348425950 /nfs/dbraw/zinc/42/59/50/348425950.db2.gz QIMRUNIBZOGXIF-WFASDCNBSA-N 1 1 299.330 3.234 20 5 CGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@H]43)co2)cc1 ZINC000611171721 348425953 /nfs/dbraw/zinc/42/59/53/348425953.db2.gz QIMRUNIBZOGXIF-WFASDCNBSA-N 1 1 299.330 3.234 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611179620 348426619 /nfs/dbraw/zinc/42/66/19/348426619.db2.gz GIEWCXPAIDEEOP-GXSJLCMTSA-N 1 1 270.279 3.243 20 5 CGBDMO COc1cc(C[N@@H+](C)CCC(C)C)ccc1[N+](=O)[O-] ZINC000611515353 348458093 /nfs/dbraw/zinc/45/80/93/348458093.db2.gz OOTOAHIBEIREDX-UHFFFAOYSA-N 1 1 266.341 3.081 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](CCO)C1 ZINC000611515993 348458335 /nfs/dbraw/zinc/45/83/35/348458335.db2.gz YMIRYBWVSFDBIQ-KBPBESRZSA-N 1 1 292.379 3.059 20 5 CGBDMO COc1cc(C[N@H+](C)Cc2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000351977201 219273239 /nfs/dbraw/zinc/27/32/39/219273239.db2.gz GHLSGOOKUIXGBL-UHFFFAOYSA-N 1 1 290.319 3.137 20 5 CGBDMO COc1cc(C[N@@H+](C)Cc2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000351977201 219273241 /nfs/dbraw/zinc/27/32/41/219273241.db2.gz GHLSGOOKUIXGBL-UHFFFAOYSA-N 1 1 290.319 3.137 20 5 CGBDMO Cc1cn2cc(Nc3nc(C)cc(C)c3[N+](=O)[O-])ccc2[nH+]1 ZINC000359099092 233260662 /nfs/dbraw/zinc/26/06/62/233260662.db2.gz NUVSHPXMTDLPPH-UHFFFAOYSA-N 1 1 297.318 3.306 20 5 CGBDMO Cc1ncc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000291759728 198082950 /nfs/dbraw/zinc/08/29/50/198082950.db2.gz RGTNOBLGBIVQBC-UHFFFAOYSA-N 1 1 291.376 3.385 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+](C/C=C/Cl)C2CC2)c1 ZINC000153293342 188075284 /nfs/dbraw/zinc/07/52/84/188075284.db2.gz QPUOZXUKPLPXCB-FARCUNLSSA-N 1 1 266.728 3.312 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+](C/C=C/Cl)C2CC2)c1 ZINC000153293342 188075286 /nfs/dbraw/zinc/07/52/86/188075286.db2.gz QPUOZXUKPLPXCB-FARCUNLSSA-N 1 1 266.728 3.312 20 5 CGBDMO CC[N@H+](CCN[C@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000155854502 188231863 /nfs/dbraw/zinc/23/18/63/188231863.db2.gz OVJLKXGFKWATMR-CYBMUJFWSA-N 1 1 291.395 3.038 20 5 CGBDMO CC[N@@H+](CCN[C@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000155854502 188231864 /nfs/dbraw/zinc/23/18/64/188231864.db2.gz OVJLKXGFKWATMR-CYBMUJFWSA-N 1 1 291.395 3.038 20 5 CGBDMO C[C@H](NCC[C@@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000271726176 191293402 /nfs/dbraw/zinc/29/34/02/191293402.db2.gz YTIHPTXLKGINAG-ZFWWWQNUSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[C@H]([NH2+]C[C@H](C)N(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000127591791 138389529 /nfs/dbraw/zinc/38/95/29/138389529.db2.gz XUBBXWORLHUSKL-BBRMVZONSA-N 1 1 293.411 3.366 20 5 CGBDMO Cc1ccc([C@@H](C)NC[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423234323 236004767 /nfs/dbraw/zinc/00/47/67/236004767.db2.gz FOGQDHADDXTUCJ-CZUORRHYSA-N 1 1 299.374 3.254 20 5 CGBDMO C[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCS1 ZINC000426368943 236290701 /nfs/dbraw/zinc/29/07/01/236290701.db2.gz CKJCXPIZGTUHMZ-AGLBCWCQSA-N 1 1 292.404 3.435 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341968292 216171059 /nfs/dbraw/zinc/17/10/59/216171059.db2.gz ARZPQRFBFCIZCK-XJKSGUPXSA-N 1 1 290.363 3.158 20 5 CGBDMO CC(C)[N@@H+](Cc1cccn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000179320654 189185415 /nfs/dbraw/zinc/18/54/15/189185415.db2.gz ZDGLSMIGUXCGNJ-UHFFFAOYSA-N 1 1 287.363 3.344 20 5 CGBDMO Cc1ccc(N[C@H]2CC[N@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301432795 201006971 /nfs/dbraw/zinc/00/69/71/201006971.db2.gz HRROPJZTBBQYHV-ZDUSSCGKSA-N 1 1 289.379 3.332 20 5 CGBDMO Cc1ccc(NCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000301430218 201005409 /nfs/dbraw/zinc/00/54/09/201005409.db2.gz GAJVHJDZWMCCFU-CYBMUJFWSA-N 1 1 277.368 3.190 20 5 CGBDMO Cc1ncc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)s1 ZINC000183292507 189353993 /nfs/dbraw/zinc/35/39/93/189353993.db2.gz LLYRSOKRYFZKQF-UHFFFAOYSA-N 1 1 291.376 3.300 20 5 CGBDMO Cc1ncc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)s1 ZINC000183292507 189353994 /nfs/dbraw/zinc/35/39/94/189353994.db2.gz LLYRSOKRYFZKQF-UHFFFAOYSA-N 1 1 291.376 3.300 20 5 CGBDMO CCO[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451541161 240321245 /nfs/dbraw/zinc/32/12/45/240321245.db2.gz LOSGCJCGFCCAQV-DVOMOZLQSA-N 1 1 292.379 3.403 20 5 CGBDMO CC[N@H+]1CCC[C@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000020007119 368793811 /nfs/dbraw/zinc/79/38/11/368793811.db2.gz YHTWLQINBQXTIW-NSHDSACASA-N 1 1 283.759 3.144 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+]Cc2ccco2)cc1[N+](=O)[O-] ZINC000020084071 368797864 /nfs/dbraw/zinc/79/78/64/368797864.db2.gz PDEUMPVZQCQULK-NSHDSACASA-N 1 1 260.293 3.347 20 5 CGBDMO COCc1cccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000038010760 369139579 /nfs/dbraw/zinc/13/95/79/369139579.db2.gz BGCLZPCZGSYMAF-UHFFFAOYSA-N 1 1 292.360 3.093 20 5 CGBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493237815 244123983 /nfs/dbraw/zinc/12/39/83/244123983.db2.gz NQWPGWXIRFSHOX-ZJUUUORDSA-N 1 1 268.744 3.479 20 5 CGBDMO CC[C@]1(C)C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000276066183 193202985 /nfs/dbraw/zinc/20/29/85/193202985.db2.gz QPPFQVIYXUIYML-IUODEOHRSA-N 1 1 278.352 3.157 20 5 CGBDMO CC[C@]1(C)C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000276066183 193202986 /nfs/dbraw/zinc/20/29/86/193202986.db2.gz QPPFQVIYXUIYML-IUODEOHRSA-N 1 1 278.352 3.157 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCCO1 ZINC000330809016 203262198 /nfs/dbraw/zinc/26/21/98/203262198.db2.gz NNARWWAUSYPNND-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCCO1 ZINC000330809016 203262201 /nfs/dbraw/zinc/26/22/01/203262201.db2.gz NNARWWAUSYPNND-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO O=[N+]([O-])c1ccccc1CNc1[nH]c2ccccc2[nH+]1 ZINC000050015879 369426703 /nfs/dbraw/zinc/42/67/03/369426703.db2.gz ULIGXYHLOAOMBO-UHFFFAOYSA-N 1 1 268.276 3.083 20 5 CGBDMO Cc1ccc(C[NH2+]Cc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000051016879 369446692 /nfs/dbraw/zinc/44/66/92/369446692.db2.gz DNUGMTQPHXHPJK-UHFFFAOYSA-N 1 1 292.285 3.471 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051686157 369452064 /nfs/dbraw/zinc/45/20/64/369452064.db2.gz ZSZFORORODYOGW-NSHDSACASA-N 1 1 266.341 3.224 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1F ZINC000276342608 193293455 /nfs/dbraw/zinc/29/34/55/193293455.db2.gz UKXSMQUCNYXTJO-HNNXBMFYSA-N 1 1 289.310 3.399 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1F ZINC000276342608 193293456 /nfs/dbraw/zinc/29/34/56/193293456.db2.gz UKXSMQUCNYXTJO-HNNXBMFYSA-N 1 1 289.310 3.399 20 5 CGBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000116273780 370556071 /nfs/dbraw/zinc/55/60/71/370556071.db2.gz GRCMGZAJUTUYBS-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000116273780 370556072 /nfs/dbraw/zinc/55/60/72/370556072.db2.gz GRCMGZAJUTUYBS-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000151707567 371627586 /nfs/dbraw/zinc/62/75/86/371627586.db2.gz NHNRPLDJPAMHEM-UKRRQHHQSA-N 1 1 291.395 3.120 20 5 CGBDMO COc1cccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153096676 371750234 /nfs/dbraw/zinc/75/02/34/371750234.db2.gz IQWWONRXDYQXIF-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO COc1cccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153096676 371750243 /nfs/dbraw/zinc/75/02/43/371750243.db2.gz IQWWONRXDYQXIF-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000153767646 371786512 /nfs/dbraw/zinc/78/65/12/371786512.db2.gz SVOLYUXCKUQDBV-UHFFFAOYSA-N 1 1 272.304 3.449 20 5 CGBDMO CC(C)[N@H+]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000344276857 217130704 /nfs/dbraw/zinc/13/07/04/217130704.db2.gz MSZKKNASYZQJRB-AWEZNQCLSA-N 1 1 291.395 3.072 20 5 CGBDMO Cc1ccc(C[N@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000162149661 372376571 /nfs/dbraw/zinc/37/65/71/372376571.db2.gz AASGKBNMANYFFG-UHFFFAOYSA-N 1 1 260.293 3.128 20 5 CGBDMO Cc1ccc(C[N@@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000162149661 372376577 /nfs/dbraw/zinc/37/65/77/372376577.db2.gz AASGKBNMANYFFG-UHFFFAOYSA-N 1 1 260.293 3.128 20 5 CGBDMO C[C@H](C1CC1)[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163287134 372460067 /nfs/dbraw/zinc/46/00/67/372460067.db2.gz UEHKLRQONREITL-SECBINFHSA-N 1 1 268.744 3.479 20 5 CGBDMO CC1(C)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000434672577 372699657 /nfs/dbraw/zinc/69/96/57/372699657.db2.gz NMKFFFWMGVUBAU-UHFFFAOYSA-N 1 1 294.420 3.355 20 5 CGBDMO CC1(C)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000434669236 372700117 /nfs/dbraw/zinc/70/01/17/372700117.db2.gz HFWKSBFWBKAXRI-UHFFFAOYSA-N 1 1 280.393 3.312 20 5 CGBDMO Cc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000435236593 372742315 /nfs/dbraw/zinc/74/23/15/372742315.db2.gz JWBOWIATPDWCFN-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO Cc1ccc(C[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000435236593 372742321 /nfs/dbraw/zinc/74/23/21/372742321.db2.gz JWBOWIATPDWCFN-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H]1C1CC1 ZINC000449425928 373699426 /nfs/dbraw/zinc/69/94/26/373699426.db2.gz NOLFGNCPTLZWHT-PKXJPQMGSA-N 1 1 258.321 3.092 20 5 CGBDMO C[C@@]12C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000449453004 373737126 /nfs/dbraw/zinc/73/71/26/373737126.db2.gz VTWFVBLBPIXTLZ-COMQUAJESA-N 1 1 290.388 3.300 20 5 CGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)cc1 ZINC000449503109 373800711 /nfs/dbraw/zinc/80/07/11/373800711.db2.gz STRNKXSNBSQPJH-HNNXBMFYSA-N 1 1 297.358 3.369 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCO1 ZINC000182100440 374219859 /nfs/dbraw/zinc/21/98/59/374219859.db2.gz IZQXOIUGVICECI-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCO1 ZINC000182100440 374219864 /nfs/dbraw/zinc/21/98/64/374219864.db2.gz IZQXOIUGVICECI-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CCOCC[N@@H+](CC)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182770320 374324381 /nfs/dbraw/zinc/32/43/81/374324381.db2.gz DBEQFKBDNCGIJR-CYBMUJFWSA-N 1 1 280.368 3.323 20 5 CGBDMO COc1ccc(C[N@H+]2CCC(C)=C(C)C2)cc1[N+](=O)[O-] ZINC000331107653 374504983 /nfs/dbraw/zinc/50/49/83/374504983.db2.gz HILBHFIBKSUPGI-UHFFFAOYSA-N 1 1 276.336 3.146 20 5 CGBDMO CCOc1cc(C[N@H+]2CCC[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000331185658 374512199 /nfs/dbraw/zinc/51/21/99/374512199.db2.gz SXTCXPHUYXDXSG-ZDUSSCGKSA-N 1 1 278.352 3.368 20 5 CGBDMO CCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332190309 374558111 /nfs/dbraw/zinc/55/81/11/374558111.db2.gz BKQWCSNYHLECRD-UHFFFAOYSA-N 1 1 288.351 3.093 20 5 CGBDMO COCC1=CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000185887163 374760821 /nfs/dbraw/zinc/76/08/21/374760821.db2.gz SVRARMYXUVKXIZ-ZDUSSCGKSA-N 1 1 290.363 3.243 20 5 CGBDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000194941092 376062735 /nfs/dbraw/zinc/06/27/35/376062735.db2.gz CMNHDPRQPADJIM-INIZCTEOSA-N 1 1 292.379 3.376 20 5 CGBDMO Cc1cccc(NC[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000218844995 376189353 /nfs/dbraw/zinc/18/93/53/376189353.db2.gz DNJUTUCKRGDBEX-ZDUSSCGKSA-N 1 1 277.368 3.045 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCC(C)(C)O1 ZINC000338360385 376348916 /nfs/dbraw/zinc/34/89/16/376348916.db2.gz NOTCRHBUJBLTOT-OAHLLOKOSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541073100 376419186 /nfs/dbraw/zinc/41/91/86/376419186.db2.gz YQNIYONJFSPZQJ-VHSXEESVSA-N 1 1 268.744 3.479 20 5 CGBDMO Cc1cnc([C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000338377407 376357347 /nfs/dbraw/zinc/35/73/47/376357347.db2.gz IPTYWQCTVSETRH-GFCCVEGCSA-N 1 1 289.335 3.127 20 5 CGBDMO Cc1cnc([C@@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000338377407 376357357 /nfs/dbraw/zinc/35/73/57/376357357.db2.gz IPTYWQCTVSETRH-GFCCVEGCSA-N 1 1 289.335 3.127 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](CC3CC3)C2)cs1 ZINC000339672267 376797954 /nfs/dbraw/zinc/79/79/54/376797954.db2.gz CCJODHQPKMJTAU-NSHDSACASA-N 1 1 266.366 3.278 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339680895 376805487 /nfs/dbraw/zinc/80/54/87/376805487.db2.gz YSCJTVRJSHPPRK-CYBMUJFWSA-N 1 1 290.363 3.225 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH2+][C@H](c2cccnc2)C2CC2)cs1 ZINC000340105483 376918966 /nfs/dbraw/zinc/91/89/66/376918966.db2.gz OYDOIKMGGCQFTG-AWEZNQCLSA-N 1 1 289.360 3.292 20 5 CGBDMO COC[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247165736 377169584 /nfs/dbraw/zinc/16/95/84/377169584.db2.gz ZVAHHBFQLDTEIP-CHWSQXEVSA-N 1 1 278.352 3.014 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000247230059 377180177 /nfs/dbraw/zinc/18/01/77/377180177.db2.gz DCGIKIVUBZWLFA-BXUZGUMPSA-N 1 1 278.327 3.498 20 5 CGBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000090794943 249029810 /nfs/dbraw/zinc/02/98/10/249029810.db2.gz ZGLODDDZDZXXCE-UWVGGRQHSA-N 1 1 283.759 3.143 20 5 CGBDMO O=[N+]([O-])c1ccc(CCNc2cc[nH+]cc2Cl)cc1 ZINC000094267000 249040303 /nfs/dbraw/zinc/04/03/03/249040303.db2.gz SKVYXMYGLXDZFO-UHFFFAOYSA-N 1 1 277.711 3.298 20 5 CGBDMO Cc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)nc1C ZINC000314303085 249095331 /nfs/dbraw/zinc/09/53/31/249095331.db2.gz PXWPWRYIJBJABF-UHFFFAOYSA-N 1 1 285.347 3.205 20 5 CGBDMO CC(C)CO[C@@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000252664212 377647160 /nfs/dbraw/zinc/64/71/60/377647160.db2.gz VZKBJWMQWAGXTC-CZUORRHYSA-N 1 1 292.379 3.403 20 5 CGBDMO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000255144358 377737445 /nfs/dbraw/zinc/73/74/45/377737445.db2.gz JGIYKVRDQFAIPB-GTBONMDNSA-N 1 1 290.363 3.109 20 5 CGBDMO COCC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000272618827 378678116 /nfs/dbraw/zinc/67/81/16/378678116.db2.gz VWHMMWRPDLJYJP-CQSZACIVSA-N 1 1 290.319 3.055 20 5 CGBDMO COC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000272888647 378717108 /nfs/dbraw/zinc/71/71/08/378717108.db2.gz DKYPJIWTCRPWKW-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC3(CC3)C2)c(F)c1 ZINC000274492149 378840496 /nfs/dbraw/zinc/84/04/96/378840496.db2.gz PIEDJGAPYNAMEH-UHFFFAOYSA-N 1 1 264.300 3.110 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC3(CC3)C2)c(F)c1 ZINC000274492149 378840502 /nfs/dbraw/zinc/84/05/02/378840502.db2.gz PIEDJGAPYNAMEH-UHFFFAOYSA-N 1 1 264.300 3.110 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC2(C1)CCOCC2 ZINC000266534608 190264572 /nfs/dbraw/zinc/26/45/72/190264572.db2.gz GZPMPZJJFOIFET-ZDUSSCGKSA-N 1 1 290.363 3.158 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CCCCO1 ZINC000266680346 190274805 /nfs/dbraw/zinc/27/48/05/190274805.db2.gz AFTUPMIWWCEGOM-CHWSQXEVSA-N 1 1 278.352 3.157 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2C2CCC2)c(F)c1 ZINC000352692073 379910202 /nfs/dbraw/zinc/91/02/02/379910202.db2.gz OECTXXXHEBKIRQ-OAHLLOKOSA-N 1 1 278.327 3.498 20 5 CGBDMO CC[C@@H](C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)OC ZINC000419295796 380795978 /nfs/dbraw/zinc/79/59/78/380795978.db2.gz XAXIBOJZLCFHJX-ZBFHGGJFSA-N 1 1 292.379 3.199 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCC1CC1)C1CC1 ZINC000360150704 381459365 /nfs/dbraw/zinc/45/93/65/381459365.db2.gz SBWWXGBJNGTFDP-UHFFFAOYSA-N 1 1 260.337 3.359 20 5 CGBDMO C[N@@H+](CCCc1ccncc1)Cc1ccccc1[N+](=O)[O-] ZINC000360444676 381544827 /nfs/dbraw/zinc/54/48/27/381544827.db2.gz HLBASKDECRPZLJ-UHFFFAOYSA-N 1 1 285.347 3.054 20 5 CGBDMO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H](C)C1 ZINC000361629515 381846958 /nfs/dbraw/zinc/84/69/58/381846958.db2.gz KTPGENLZZZFUPP-ZFWWWQNUSA-N 1 1 292.379 3.232 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000075768526 285112659 /nfs/dbraw/zinc/11/26/59/285112659.db2.gz NIBZRIXZXZSROZ-HIFRSBDPSA-N 1 1 260.337 3.359 20 5 CGBDMO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000281358095 195210607 /nfs/dbraw/zinc/21/06/07/195210607.db2.gz UQXHAGPWHROYII-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000281358095 195210610 /nfs/dbraw/zinc/21/06/10/195210610.db2.gz UQXHAGPWHROYII-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2ccoc2)cc1[N+](=O)[O-] ZINC000179405274 260046350 /nfs/dbraw/zinc/04/63/50/260046350.db2.gz FTWRDHOTNGXUAM-LLVKDONJSA-N 1 1 290.319 3.437 20 5 CGBDMO Cc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000051575038 392070114 /nfs/dbraw/zinc/07/01/14/392070114.db2.gz RKXKAXYIKYBEER-GFCCVEGCSA-N 1 1 271.320 3.149 20 5 CGBDMO CO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000282056761 392277908 /nfs/dbraw/zinc/27/79/08/392277908.db2.gz BGYHWJDNBQXGAT-ZWNOBZJWSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000282056761 392277914 /nfs/dbraw/zinc/27/79/14/392277914.db2.gz BGYHWJDNBQXGAT-ZWNOBZJWSA-N 1 1 298.770 3.248 20 5 CGBDMO Cc1c([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361772503 392320108 /nfs/dbraw/zinc/32/01/08/392320108.db2.gz NFQOKFXLVJVZPG-XBFCOCLRSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1c([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361772503 392320110 /nfs/dbraw/zinc/32/01/10/392320110.db2.gz NFQOKFXLVJVZPG-XBFCOCLRSA-N 1 1 291.395 3.037 20 5 CGBDMO CC(C)CC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000158167767 392558720 /nfs/dbraw/zinc/55/87/20/392558720.db2.gz LQMGGTAFCBBXJM-AWEZNQCLSA-N 1 1 294.399 3.082 20 5 CGBDMO COC[C@@H]1CCCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000372103768 392583728 /nfs/dbraw/zinc/58/37/28/392583728.db2.gz UMGRQCVCXKTDNU-CQSZACIVSA-N 1 1 292.379 3.152 20 5 CGBDMO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cn1 ZINC000161889156 392588235 /nfs/dbraw/zinc/58/82/35/392588235.db2.gz PGVQVSONPOXZFO-ZDUSSCGKSA-N 1 1 289.310 3.370 20 5 CGBDMO CO[C@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000374650437 392685143 /nfs/dbraw/zinc/68/51/43/392685143.db2.gz XSVHDLGAUJFFOJ-WFASDCNBSA-N 1 1 278.352 3.157 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505790299 392697956 /nfs/dbraw/zinc/69/79/56/392697956.db2.gz MJZXAMQRHSKYDG-SNVBAGLBSA-N 1 1 254.305 3.354 20 5 CGBDMO CC(C)C[C@H](C)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332707759 392699068 /nfs/dbraw/zinc/69/90/68/392699068.db2.gz XOCJCCHASLAAMI-LBPRGKRZSA-N 1 1 277.368 3.030 20 5 CGBDMO C[C@H]1CSCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179661952 392704558 /nfs/dbraw/zinc/70/45/58/392704558.db2.gz UMAZFLNFHBUBOU-FUEXJSSKSA-N 1 1 278.377 3.045 20 5 CGBDMO C[C@H]1CSCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179661952 392704568 /nfs/dbraw/zinc/70/45/68/392704568.db2.gz UMAZFLNFHBUBOU-FUEXJSSKSA-N 1 1 278.377 3.045 20 5 CGBDMO CC(C)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071404 392826787 /nfs/dbraw/zinc/82/67/87/392826787.db2.gz DSWHIGUEQXFUKP-UHFFFAOYSA-N 1 1 250.342 3.115 20 5 CGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H]1c1ccccc1 ZINC000471186765 393276119 /nfs/dbraw/zinc/27/61/19/393276119.db2.gz MHEMLSAOEWODRT-HNNXBMFYSA-N 1 1 298.342 3.421 20 5 CGBDMO Nc1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000420359441 393473443 /nfs/dbraw/zinc/47/34/43/393473443.db2.gz KOCUMCGNSKOICU-UHFFFAOYSA-N 1 1 297.358 3.342 20 5 CGBDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000429577283 393485694 /nfs/dbraw/zinc/48/56/94/393485694.db2.gz FFAKXPSDSPQHCP-GXSJLCMTSA-N 1 1 254.355 3.277 20 5 CGBDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000429578708 393486801 /nfs/dbraw/zinc/48/68/01/393486801.db2.gz JMUSTVUPNCAFHJ-WDEREUQCSA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@@H]1C[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000488356810 393496398 /nfs/dbraw/zinc/49/63/98/393496398.db2.gz OAALVAWDCQVURM-YPMHNXCESA-N 1 1 260.337 3.215 20 5 CGBDMO C[C@H]1CC2(CCC2)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000432797294 393640803 /nfs/dbraw/zinc/64/08/03/393640803.db2.gz DJHWUMMJJYBFCI-JTQLQIEISA-N 1 1 266.366 3.421 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCOC(C)(C)C1 ZINC000361052494 393657151 /nfs/dbraw/zinc/65/71/51/393657151.db2.gz NJMZRHQSRNQAHK-ZDUSSCGKSA-N 1 1 292.379 3.465 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCOC(C)(C)C1 ZINC000361052493 393657844 /nfs/dbraw/zinc/65/78/44/393657844.db2.gz NJMZRHQSRNQAHK-CYBMUJFWSA-N 1 1 292.379 3.465 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000441682094 393737526 /nfs/dbraw/zinc/73/75/26/393737526.db2.gz RKBSTJFNRDTMRN-RDBSUJKOSA-N 1 1 290.363 3.014 20 5 CGBDMO Cc1ccc(C[NH+]2CC(C)(C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000443850673 393774604 /nfs/dbraw/zinc/77/46/04/393774604.db2.gz GTTGKSMFMJXBJB-UHFFFAOYSA-N 1 1 292.379 3.293 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000449538109 393888747 /nfs/dbraw/zinc/88/87/47/393888747.db2.gz KEKHNAQRYXWPJI-GDBMZVCRSA-N 1 1 272.348 3.215 20 5 CGBDMO CC(C)[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000076065896 165110216 /nfs/dbraw/zinc/11/02/16/165110216.db2.gz MNHQRJXUKWCVSD-NSHDSACASA-N 1 1 286.422 3.230 20 5 CGBDMO CC(C)[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000076065896 165110220 /nfs/dbraw/zinc/11/02/20/165110220.db2.gz MNHQRJXUKWCVSD-NSHDSACASA-N 1 1 286.422 3.230 20 5 CGBDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000076149974 165111126 /nfs/dbraw/zinc/11/11/26/165111126.db2.gz FXIBYLQJMWYRRZ-NXEZZACHSA-N 1 1 254.355 3.277 20 5 CGBDMO Cc1noc(C)c1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000092328536 165291438 /nfs/dbraw/zinc/29/14/38/165291438.db2.gz FREAIIOCFIDJEZ-SNVBAGLBSA-N 1 1 289.335 3.359 20 5 CGBDMO CC(C)C[C@@H]1CCCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174872513 165581493 /nfs/dbraw/zinc/58/14/93/165581493.db2.gz UNRLJHFDXQMSOB-AWEZNQCLSA-N 1 1 294.399 3.082 20 5 CGBDMO CC[C@H](C)[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119417740 287169297 /nfs/dbraw/zinc/16/92/97/287169297.db2.gz UBSSGKYRISAEJJ-VIFPVBQESA-N 1 1 256.733 3.479 20 5 CGBDMO CC[C@H](C)[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119417740 287169298 /nfs/dbraw/zinc/16/92/98/287169298.db2.gz UBSSGKYRISAEJJ-VIFPVBQESA-N 1 1 256.733 3.479 20 5 CGBDMO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000126085090 287256940 /nfs/dbraw/zinc/25/69/40/287256940.db2.gz HHSHXQWAPPPYRA-LBPRGKRZSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000126085090 287256942 /nfs/dbraw/zinc/25/69/42/287256942.db2.gz HHSHXQWAPPPYRA-LBPRGKRZSA-N 1 1 271.320 3.183 20 5 CGBDMO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000038097578 174111618 /nfs/dbraw/zinc/11/16/18/174111618.db2.gz JYOONZSVKIQJED-NSHDSACASA-N 1 1 290.319 3.356 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000040718143 174384807 /nfs/dbraw/zinc/38/48/07/174384807.db2.gz HECCVSBDPULBKR-VIFPVBQESA-N 1 1 254.717 3.090 20 5 CGBDMO C[N@H+]1CCC[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000044537706 175199750 /nfs/dbraw/zinc/19/97/50/175199750.db2.gz ATAMKNKANYOULY-JTQLQIEISA-N 1 1 283.759 3.002 20 5 CGBDMO COCC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116280468 228058037 /nfs/dbraw/zinc/05/80/37/228058037.db2.gz HXGYXBSCMTYRRI-UHFFFAOYSA-N 1 1 298.770 3.107 20 5 CGBDMO C[C@@H](C1CC1)[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000103466595 270046142 /nfs/dbraw/zinc/04/61/42/270046142.db2.gz KEWWHTZJLUWTHI-JTQLQIEISA-N 1 1 278.327 3.497 20 5 CGBDMO C[C@@H]1CC[C@H]([N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000352420341 274317350 /nfs/dbraw/zinc/31/73/50/274317350.db2.gz BQXMTYQVBZSIAL-ZJUUUORDSA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000352420341 274317353 /nfs/dbraw/zinc/31/73/53/274317353.db2.gz BQXMTYQVBZSIAL-ZJUUUORDSA-N 1 1 284.306 3.493 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000107829622 275033509 /nfs/dbraw/zinc/03/35/09/275033509.db2.gz BRSYKBPJMGZITI-NWDGAFQWSA-N 1 1 295.770 3.287 20 5 CGBDMO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000106866797 276002792 /nfs/dbraw/zinc/00/27/92/276002792.db2.gz MMQIJGBBUARGBJ-OAHLLOKOSA-N 1 1 292.379 3.376 20 5 CGBDMO COCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@H]1C ZINC000487961166 288115964 /nfs/dbraw/zinc/11/59/64/288115964.db2.gz GOSCLJXUIPDJDU-HIFRSBDPSA-N 1 1 292.379 3.232 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000567795328 322178129 /nfs/dbraw/zinc/17/81/29/322178129.db2.gz NLWUZTKKYWLGKD-ZENOOKHLSA-N 1 1 290.363 3.075 20 5 CGBDMO Cc1cnc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000572378177 322334557 /nfs/dbraw/zinc/33/45/57/322334557.db2.gz ZVMYYOZEZKNLEL-LBPRGKRZSA-N 1 1 289.360 3.137 20 5 CGBDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000195670114 336058165 /nfs/dbraw/zinc/05/81/65/336058165.db2.gz YPSLIALVKOZYAK-ZIAGYGMSSA-N 1 1 292.379 3.484 20 5 CGBDMO C[C@@H]([N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000437517279 534285249 /nfs/dbraw/zinc/28/52/49/534285249.db2.gz QJXJRGDQCJVDRB-GFCCVEGCSA-N 1 1 278.352 3.094 20 5 CGBDMO CO[C@@]1(C)CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000279249743 523809616 /nfs/dbraw/zinc/80/96/16/523809616.db2.gz HAJUOXPINIGOKJ-DOMZBBRYSA-N 1 1 278.352 3.157 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)CC ZINC000177669778 528611801 /nfs/dbraw/zinc/61/18/01/528611801.db2.gz WAXZCSWFUBIWFO-NSHDSACASA-N 1 1 266.341 3.224 20 5 CGBDMO CCC[C@@H]([NH2+][C@@H](CN)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423262010 529018487 /nfs/dbraw/zinc/01/84/87/529018487.db2.gz LJUHZCXHGKPUSB-GDBMZVCRSA-N 1 1 293.411 3.399 20 5 CGBDMO Cc1cccc(F)c1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000742381480 572572881 /nfs/dbraw/zinc/57/28/81/572572881.db2.gz VMDDRZNTUSYUMR-UHFFFAOYSA-N 1 1 274.295 3.332 20 5 CGBDMO Cc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000747222381 572919557 /nfs/dbraw/zinc/91/95/57/572919557.db2.gz AUQFLBMDQFBFFP-MNOVXSKESA-N 1 1 297.786 3.451 20 5 CGBDMO C[N@H+](CC1=CCSC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852747282 618961430 /nfs/dbraw/zinc/96/14/30/618961430.db2.gz BZFULQHDBUTIDN-UHFFFAOYSA-N 1 1 298.795 3.353 20 5 CGBDMO C[N@@H+](CC1=CCSC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852747282 618961433 /nfs/dbraw/zinc/96/14/33/618961433.db2.gz BZFULQHDBUTIDN-UHFFFAOYSA-N 1 1 298.795 3.353 20 5 CGBDMO CC[C@H](C)[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774261 619262817 /nfs/dbraw/zinc/26/28/17/619262817.db2.gz GEHGWYLHZBKOLQ-JTQLQIEISA-N 1 1 254.305 3.354 20 5 CGBDMO CC(C)c1[nH+]ccn1CCNc1c(F)cccc1[N+](=O)[O-] ZINC000895988887 619922064 /nfs/dbraw/zinc/92/20/64/619922064.db2.gz WKOULEIVWGNUEV-UHFFFAOYSA-N 1 1 292.314 3.166 20 5 CGBDMO Cc1ccc(C[NH2+][C@@H](C)c2ccco2)cc1[N+](=O)[O-] ZINC000035012604 620224571 /nfs/dbraw/zinc/22/45/71/620224571.db2.gz XXFXFXSUYVIYPN-NSHDSACASA-N 1 1 260.293 3.347 20 5 CGBDMO CCc1onc(C)c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000927141396 620600789 /nfs/dbraw/zinc/60/07/89/620600789.db2.gz RNPRFNRHVSGHDX-JTQLQIEISA-N 1 1 289.335 3.304 20 5 CGBDMO CCSCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172384658 623246520 /nfs/dbraw/zinc/24/65/20/623246520.db2.gz CYKATSSORHZEJX-UHFFFAOYSA-N 1 1 288.800 3.433 20 5 CGBDMO CCSCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172384658 623246528 /nfs/dbraw/zinc/24/65/28/623246528.db2.gz CYKATSSORHZEJX-UHFFFAOYSA-N 1 1 288.800 3.433 20 5 CGBDMO CCCC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000094774534 623467284 /nfs/dbraw/zinc/46/72/84/623467284.db2.gz YPZLRQFFOHYDKR-UHFFFAOYSA-N 1 1 266.316 3.498 20 5 CGBDMO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CC[N+](=O)[O-] ZINC000929773827 623626630 /nfs/dbraw/zinc/62/66/30/623626630.db2.gz IYWUNPDKQKTIHQ-QWRGUYRKSA-N 1 1 270.760 3.041 20 5 CGBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154140900 624208071 /nfs/dbraw/zinc/20/80/71/624208071.db2.gz CGRYDWKCSYITJC-VHSXEESVSA-N 1 1 268.744 3.479 20 5 CGBDMO C[C@@H]([NH2+]Cc1cccc(Cl)n1)c1cccc([N+](=O)[O-])c1 ZINC000180416934 624750318 /nfs/dbraw/zinc/75/03/18/624750318.db2.gz WGRBCIQWMWCJGD-SNVBAGLBSA-N 1 1 291.738 3.494 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000772346543 627786355 /nfs/dbraw/zinc/78/63/55/627786355.db2.gz OMDAYYZEHAFASP-GXFFZTMASA-N 1 1 266.316 3.497 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(F)n1 ZINC000773086514 627853553 /nfs/dbraw/zinc/85/35/53/627853553.db2.gz JVWICOWMHJETTE-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO CCC[N@@H+](CC)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774625198 628009461 /nfs/dbraw/zinc/00/94/61/628009461.db2.gz COBHYYZBBMRHOE-UHFFFAOYSA-N 1 1 296.758 3.287 20 5 CGBDMO CCC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587549 628221794 /nfs/dbraw/zinc/22/17/94/628221794.db2.gz WIOCZDQEGZYBSJ-XJKSGUPXSA-N 1 1 292.379 3.140 20 5 CGBDMO Cc1c(F)nccc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000862291785 629340949 /nfs/dbraw/zinc/34/09/49/629340949.db2.gz POLRIFCIMOEFRN-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO CC1=CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000798089950 630021863 /nfs/dbraw/zinc/02/18/63/630021863.db2.gz BNDIJGVAWVZFON-UHFFFAOYSA-N 1 1 266.728 3.400 20 5 CGBDMO CC1=CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000798089950 630021866 /nfs/dbraw/zinc/02/18/66/630021866.db2.gz BNDIJGVAWVZFON-UHFFFAOYSA-N 1 1 266.728 3.400 20 5 CGBDMO Cc1cc(Cl)nc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000800284368 630261136 /nfs/dbraw/zinc/26/11/36/630261136.db2.gz DXEYHSMPTUCMOX-UHFFFAOYSA-N 1 1 291.738 3.241 20 5 CGBDMO Cc1nn(C[N@@H+]2CCC[C@H](CC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000120707036 630399106 /nfs/dbraw/zinc/39/91/06/630399106.db2.gz DFQBABYXXSCONI-CQSZACIVSA-N 1 1 294.399 3.124 20 5 CGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000811867057 631128352 /nfs/dbraw/zinc/12/83/52/631128352.db2.gz LJBHBYNXFRNSHD-LLVKDONJSA-N 1 1 283.347 3.266 20 5 CGBDMO Cc1cc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000814928550 631686569 /nfs/dbraw/zinc/68/65/69/631686569.db2.gz KIUYKPQXZROPBE-PHIMTYICSA-N 1 1 297.786 3.085 20 5 CGBDMO Cc1cc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000814928550 631686571 /nfs/dbraw/zinc/68/65/71/631686571.db2.gz KIUYKPQXZROPBE-PHIMTYICSA-N 1 1 297.786 3.085 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000816646220 632031603 /nfs/dbraw/zinc/03/16/03/632031603.db2.gz AEEICMSNFGJFFA-LVRHIEOCSA-N 1 1 260.337 3.338 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000865752725 632878346 /nfs/dbraw/zinc/87/83/46/632878346.db2.gz BEEAIZJTSOOBPC-RKDXNWHRSA-N 1 1 294.660 3.289 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000823510182 633115516 /nfs/dbraw/zinc/11/55/16/633115516.db2.gz XAOQCEPPXBRRHZ-GHMZBOCLSA-N 1 1 293.323 3.123 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866583984 633202576 /nfs/dbraw/zinc/20/25/76/633202576.db2.gz WGJWKRYMUYVZJS-AGIUHOORSA-N 1 1 292.404 3.341 20 5 CGBDMO CO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000824814706 633294111 /nfs/dbraw/zinc/29/41/11/633294111.db2.gz DQGVQVBNSWVDCK-QMTHXVAHSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000824814706 633294133 /nfs/dbraw/zinc/29/41/33/633294133.db2.gz DQGVQVBNSWVDCK-QMTHXVAHSA-N 1 1 298.770 3.105 20 5 CGBDMO CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872073409 633995962 /nfs/dbraw/zinc/99/59/62/633995962.db2.gz QPTSVPSLBZJYDZ-NEPJUHHUSA-N 1 1 297.374 3.113 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000877617191 635114425 /nfs/dbraw/zinc/11/44/25/635114425.db2.gz SLERUMKBCOJCHQ-CQSZACIVSA-N 1 1 296.317 3.443 20 5 CGBDMO CC[C@@H](C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)OC ZINC000842153286 635298510 /nfs/dbraw/zinc/29/85/10/635298510.db2.gz MZGXCSNHVRIRBH-LBPRGKRZSA-N 1 1 286.759 3.105 20 5 CGBDMO CC[C@@H](C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)OC ZINC000842153286 635298514 /nfs/dbraw/zinc/29/85/14/635298514.db2.gz MZGXCSNHVRIRBH-LBPRGKRZSA-N 1 1 286.759 3.105 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000844433822 635898805 /nfs/dbraw/zinc/89/88/05/635898805.db2.gz HXCSZFYEPCMLTR-CYBMUJFWSA-N 1 1 282.290 3.216 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cs1 ZINC000844440309 635902298 /nfs/dbraw/zinc/90/22/98/635902298.db2.gz TWELDMNPWOGIHC-LLVKDONJSA-N 1 1 288.319 3.278 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)cs1 ZINC000844440309 635902301 /nfs/dbraw/zinc/90/23/01/635902301.db2.gz TWELDMNPWOGIHC-LLVKDONJSA-N 1 1 288.319 3.278 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CF)C1 ZINC000880235648 635946984 /nfs/dbraw/zinc/94/69/84/635946984.db2.gz RBNDAEGRQTZXOU-NWDGAFQWSA-N 1 1 266.316 3.337 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000136108202 637286703 /nfs/dbraw/zinc/28/67/03/637286703.db2.gz SMZXITMQGUNSDX-CMPLNLGQSA-N 1 1 266.316 3.497 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000885931169 637317341 /nfs/dbraw/zinc/31/73/41/637317341.db2.gz PLLHHGNVGPVFGZ-LBPRGKRZSA-N 1 1 289.360 3.388 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000885931169 637317344 /nfs/dbraw/zinc/31/73/44/637317344.db2.gz PLLHHGNVGPVFGZ-LBPRGKRZSA-N 1 1 289.360 3.388 20 5 CGBDMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000885956317 637330731 /nfs/dbraw/zinc/33/07/31/637330731.db2.gz NDIPHEYIHKWLTL-DGCLKSJQSA-N 1 1 263.341 3.000 20 5 CGBDMO CC[C@@H](C)[C@H](C)[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885989028 637344542 /nfs/dbraw/zinc/34/45/42/637344542.db2.gz UWBTVPWYJAHGPT-NEPJUHHUSA-N 1 1 277.368 3.389 20 5 CGBDMO CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886016792 637366187 /nfs/dbraw/zinc/36/61/87/637366187.db2.gz LXAYGYGKXSASQK-GXTWGEPZSA-N 1 1 277.368 3.390 20 5 CGBDMO CC(C)([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccc(F)c1 ZINC000886112507 637420673 /nfs/dbraw/zinc/42/06/73/637420673.db2.gz ZXCVPCUXTMJQLE-UHFFFAOYSA-N 1 1 289.310 3.154 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886236263 637467248 /nfs/dbraw/zinc/46/72/48/637467248.db2.gz CTSWCMXXKCCTTQ-NWDGAFQWSA-N 1 1 263.341 3.000 20 5 CGBDMO C[N@@H+](CCCF)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000887139102 637757886 /nfs/dbraw/zinc/75/78/86/637757886.db2.gz ZWORSMPRDDFJJN-UHFFFAOYSA-N 1 1 260.696 3.040 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cn(C)cn2)cc1[N+](=O)[O-] ZINC000925497870 638238501 /nfs/dbraw/zinc/23/85/01/638238501.db2.gz ZOWZKVRRXKKQNN-NWDGAFQWSA-N 1 1 288.351 3.049 20 5 CGBDMO CCC[C@H](NCCC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000925741257 638593533 /nfs/dbraw/zinc/59/35/33/638593533.db2.gz OAOVGAZAJVAGKB-AWEZNQCLSA-N 1 1 279.384 3.153 20 5 CGBDMO CCc1onc(C)c1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000927143143 638847030 /nfs/dbraw/zinc/84/70/30/638847030.db2.gz YGKMNPBTDHHNKI-JTQLQIEISA-N 1 1 289.335 3.304 20 5 CGBDMO COC/C(C)=C\C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000930061891 638972055 /nfs/dbraw/zinc/97/20/55/638972055.db2.gz VDXCVFMQDHBTDN-LCYFTJDESA-N 1 1 290.363 3.152 20 5 CGBDMO COC/C(C)=C\C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000930061891 638972059 /nfs/dbraw/zinc/97/20/59/638972059.db2.gz VDXCVFMQDHBTDN-LCYFTJDESA-N 1 1 290.363 3.152 20 5 CGBDMO CSCC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000932592378 639364236 /nfs/dbraw/zinc/36/42/36/639364236.db2.gz XJOOCWSJMQJLDS-UHFFFAOYSA-N 1 1 286.422 3.231 20 5 CGBDMO C[N@H+](Cc1ccc(Cl)nc1)Cc1cccc([N+](=O)[O-])c1 ZINC000078530568 640322179 /nfs/dbraw/zinc/32/21/79/640322179.db2.gz FXZKFVAQFMYENX-UHFFFAOYSA-N 1 1 291.738 3.275 20 5 CGBDMO C[N@@H+](Cc1ccc(Cl)nc1)Cc1cccc([N+](=O)[O-])c1 ZINC000078530568 640322182 /nfs/dbraw/zinc/32/21/82/640322182.db2.gz FXZKFVAQFMYENX-UHFFFAOYSA-N 1 1 291.738 3.275 20 5 CGBDMO CC[N@@H+](C(C)C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550687 806448285 /nfs/dbraw/zinc/44/82/85/806448285.db2.gz OSURHGRRGAXPSZ-LBPRGKRZSA-N 1 1 250.342 3.256 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC13CCCC3)C2 ZINC001254593201 806457274 /nfs/dbraw/zinc/45/72/74/806457274.db2.gz JUXUPJVRGJITEU-OAHLLOKOSA-N 1 1 272.348 3.081 20 5 CGBDMO CCc1[nH+]c(C)cn1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000715151316 800132404 /nfs/dbraw/zinc/13/24/04/800132404.db2.gz QLNXPUULVBLGQN-UHFFFAOYSA-N 1 1 279.727 3.364 20 5 CGBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC001164378791 806943136 /nfs/dbraw/zinc/94/31/36/806943136.db2.gz BFRCUBARBMLJQG-ZMLRMANQSA-N 1 1 295.770 3.000 20 5 CGBDMO CCCN(CCC)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001155182533 805554373 /nfs/dbraw/zinc/55/43/73/805554373.db2.gz UPWDYAVFJYELOK-JXMROGBWSA-N 1 1 292.383 3.149 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC001168202436 807348689 /nfs/dbraw/zinc/34/86/89/807348689.db2.gz USCWYSWAZXYDDZ-GHMZBOCLSA-N 1 1 266.316 3.212 20 5 CGBDMO C[C@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169011948 807553593 /nfs/dbraw/zinc/55/35/93/807553593.db2.gz NWCILOGBMVJJHI-GZBFAFLISA-N 1 1 274.364 3.051 20 5 CGBDMO CCC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169021865 807554148 /nfs/dbraw/zinc/55/41/48/807554148.db2.gz APBSEVUOLXUZJL-HZPDHXFCSA-N 1 1 276.380 3.344 20 5 CGBDMO C[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037252 807556350 /nfs/dbraw/zinc/55/63/50/807556350.db2.gz RLPMAMDYRJDYPX-TZMCWYRMSA-N 1 1 282.771 3.217 20 5 CGBDMO CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040149 807556812 /nfs/dbraw/zinc/55/68/12/807556812.db2.gz YGQHAJYCZUMDRU-ZFWWWQNUSA-N 1 1 280.343 3.093 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]2C2CCCCC2)C1 ZINC001169039660 807557698 /nfs/dbraw/zinc/55/76/98/807557698.db2.gz RXTOGRFAZGHTBS-KBMXLJTQSA-N 1 1 280.412 3.477 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC001169046899 807558224 /nfs/dbraw/zinc/55/82/24/807558224.db2.gz OGFWINLEZPWAGT-APHBMKBZSA-N 1 1 292.354 3.408 20 5 CGBDMO CC[N@@H+](Cc1ccc(C)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169050186 807560343 /nfs/dbraw/zinc/56/03/43/807560343.db2.gz ZGDBFQPDMVWOGU-JKSUJKDBSA-N 1 1 276.380 3.262 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170334761 807826863 /nfs/dbraw/zinc/82/68/63/807826863.db2.gz IFCCQOFJNFSNEI-NEPJUHHUSA-N 1 1 280.368 3.265 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)[C@H]1C ZINC001171305262 808023904 /nfs/dbraw/zinc/02/39/04/808023904.db2.gz APTKXNXCTAQANE-UTLUCORTSA-N 1 1 284.306 3.349 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)[C@H]1C ZINC001171305262 808023912 /nfs/dbraw/zinc/02/39/12/808023912.db2.gz APTKXNXCTAQANE-UTLUCORTSA-N 1 1 284.306 3.349 20 5 CGBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)C(C)(C)C)c1F ZINC001173188154 808533897 /nfs/dbraw/zinc/53/38/97/808533897.db2.gz CUCTVPIGFHBSOG-SNVBAGLBSA-N 1 1 298.358 3.404 20 5 CGBDMO COc1ccc(Nc2c(C)[nH+]c3ccccn32)cc1[N+](=O)[O-] ZINC001176361043 809677020 /nfs/dbraw/zinc/67/70/20/809677020.db2.gz KHBFRAHTSXBLAO-UHFFFAOYSA-N 1 1 298.302 3.303 20 5 CGBDMO CC[N@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C[C@@H]1CCCO1 ZINC001180158638 809980166 /nfs/dbraw/zinc/98/01/66/809980166.db2.gz ZAMGUJJBTLYGEJ-AWEZNQCLSA-N 1 1 292.379 3.213 20 5 CGBDMO Cc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC001186872728 810368516 /nfs/dbraw/zinc/36/85/16/810368516.db2.gz PMHLBQYIGYWIPO-ZBFHGGJFSA-N 1 1 289.379 3.332 20 5 CGBDMO Cc1cc[nH+]c(C)c1Nc1cc(F)cc([N+](=O)[O-])c1 ZINC001216480938 815836192 /nfs/dbraw/zinc/83/61/92/815836192.db2.gz FEMSEGZGFUQXDP-UHFFFAOYSA-N 1 1 261.256 3.489 20 5 CGBDMO CC[N@H+]1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001225790147 817179501 /nfs/dbraw/zinc/17/95/01/817179501.db2.gz ZUOBPRITKJPJOQ-SNVBAGLBSA-N 1 1 284.743 3.111 20 5 CGBDMO C[N@H+]1CC[C@H](Oc2cccc3cc4ccccc4nc32)C1 ZINC001228173177 817831228 /nfs/dbraw/zinc/83/12/28/817831228.db2.gz IKOJCTUDYXWWMU-HNNXBMFYSA-N 1 1 278.355 3.471 20 5 CGBDMO C[N@H+]1CCC[C@H](Oc2ccc3nc4ccccc4nc3c2)C1 ZINC001228742078 817995825 /nfs/dbraw/zinc/99/58/25/817995825.db2.gz VMEGMUBLWXKFHK-AWEZNQCLSA-N 1 1 293.370 3.256 20 5 CGBDMO C[N@H+](CCF)Cc1ccc2ccc3cccnc3c2n1 ZINC001232223323 818285067 /nfs/dbraw/zinc/28/50/67/818285067.db2.gz GZDYCMUDCDPSFN-UHFFFAOYSA-N 1 1 269.323 3.184 20 5 CGBDMO C[N@@H+](CCF)Cc1ccc2ccc3cccnc3c2n1 ZINC001232223323 818285070 /nfs/dbraw/zinc/28/50/70/818285070.db2.gz GZDYCMUDCDPSFN-UHFFFAOYSA-N 1 1 269.323 3.184 20 5 CGBDMO CC[N@H+]1CCC[C@H](CNc2c(C)cccc2[N+](=O)[O-])C1 ZINC001350441389 936991247 /nfs/dbraw/zinc/99/12/47/936991247.db2.gz RYTKUTJODMXKDT-CYBMUJFWSA-N 1 1 277.368 3.047 20 5 CGBDMO CCC[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC001308135614 928813372 /nfs/dbraw/zinc/81/33/72/928813372.db2.gz RBBVBUWOYMIIPY-ZDUSSCGKSA-N 1 1 278.352 3.368 20 5 CGBDMO C[N@@H+]1Cc2ccccc2[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC001458548570 937468028 /nfs/dbraw/zinc/46/80/28/937468028.db2.gz RIVPRJKCECFLSV-MRXNPFEDSA-N 1 1 283.331 3.193 20 5 CGBDMO C[N@H+]1Cc2ccccc2[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC001458548570 937468030 /nfs/dbraw/zinc/46/80/30/937468030.db2.gz RIVPRJKCECFLSV-MRXNPFEDSA-N 1 1 283.331 3.193 20 5 CGBDMO C[N@H+]1CC[C@@H](Oc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC001230942020 932645119 /nfs/dbraw/zinc/64/51/19/932645119.db2.gz ZWZCMFZEYYJIQQ-QGZVFWFLSA-N 1 1 298.342 3.345 20 5 CGBDMO C[C@@H](CNc1c(F)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC001306932370 932896600 /nfs/dbraw/zinc/89/66/00/932896600.db2.gz UHQRFTRVXJECJM-NEPJUHHUSA-N 1 1 295.358 3.409 20 5 CGBDMO O=[N+]([O-])CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC001307423483 932950184 /nfs/dbraw/zinc/95/01/84/932950184.db2.gz FYDCFQKCCQLFAJ-UHFFFAOYSA-N 1 1 289.162 3.235 20 5 CGBDMO O=[N+]([O-])CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC001307423483 932950187 /nfs/dbraw/zinc/95/01/87/932950187.db2.gz FYDCFQKCCQLFAJ-UHFFFAOYSA-N 1 1 289.162 3.235 20 5 CGBDMO CCCC[N@@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CC1 ZINC001336674221 936204750 /nfs/dbraw/zinc/20/47/50/936204750.db2.gz WCKVZCOHOUSHOT-UHFFFAOYSA-N 1 1 294.351 3.074 20 5 CGBDMO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001474412758 937858462 /nfs/dbraw/zinc/85/84/62/937858462.db2.gz FTAULALWOGVHLD-TZMCWYRMSA-N 1 1 292.379 3.211 20 5 CGBDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001474412758 937858463 /nfs/dbraw/zinc/85/84/63/937858463.db2.gz FTAULALWOGVHLD-TZMCWYRMSA-N 1 1 292.379 3.211 20 5 CGBDMO CO[C@]1(C)CCC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001560803832 938276792 /nfs/dbraw/zinc/27/67/92/938276792.db2.gz GZZDRNQIYIVORO-MRXNPFEDSA-N 1 1 292.379 3.213 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC000590599137 346854319 /nfs/dbraw/zinc/85/43/19/346854319.db2.gz AHFRLJCNYAUMLF-OAHLLOKOSA-N 1 1 297.358 3.369 20 5 CGBDMO CCc1cnc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000359820801 529652547 /nfs/dbraw/zinc/65/25/47/529652547.db2.gz VJRDTPZTNOUJMZ-UHFFFAOYSA-N 1 1 291.376 3.212 20 5 CGBDMO CN(Cc1ccccc1[N+](=O)[O-])c1cc[nH+]cc1Cl ZINC000176777431 530004590 /nfs/dbraw/zinc/00/45/90/530004590.db2.gz SPIQEHBOOLATFA-UHFFFAOYSA-N 1 1 277.711 3.280 20 5 CGBDMO Cc1c([C@@H](C)NCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000128246390 187359352 /nfs/dbraw/zinc/35/93/52/187359352.db2.gz LXVVGYCSOKLPKK-CQSZACIVSA-N 1 1 291.395 3.040 20 5 CGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1Cc2ccccc2C1 ZINC000034376527 344939279 /nfs/dbraw/zinc/93/92/79/344939279.db2.gz XIIHBXIXEGQLAN-UHFFFAOYSA-N 1 1 296.370 3.237 20 5 CGBDMO Cc1ccc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000051455004 345090696 /nfs/dbraw/zinc/09/06/96/345090696.db2.gz KPVQMZFYSFCVIG-UHFFFAOYSA-N 1 1 274.320 3.437 20 5 CGBDMO Cc1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000051455004 345090699 /nfs/dbraw/zinc/09/06/99/345090699.db2.gz KPVQMZFYSFCVIG-UHFFFAOYSA-N 1 1 274.320 3.437 20 5 CGBDMO CC[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000051532851 345090874 /nfs/dbraw/zinc/09/08/74/345090874.db2.gz HSPMUIOAVLSDCD-ZDUSSCGKSA-N 1 1 278.352 3.096 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051686799 345092033 /nfs/dbraw/zinc/09/20/33/345092033.db2.gz DTXYRDCRNNDBCM-LBPRGKRZSA-N 1 1 266.341 3.094 20 5 CGBDMO C[C@H]1CCCC[N@H+]1CCCCNc1ccncc1[N+](=O)[O-] ZINC000066809061 345306725 /nfs/dbraw/zinc/30/67/25/345306725.db2.gz CHDIRRAZQJLHRZ-ZDUSSCGKSA-N 1 1 292.383 3.056 20 5 CGBDMO O=[N+]([O-])c1ccc(NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000068321597 345349606 /nfs/dbraw/zinc/34/96/06/345349606.db2.gz RQFQHTSMUGELPX-UHFFFAOYSA-N 1 1 283.331 3.023 20 5 CGBDMO CN1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000069087977 345372482 /nfs/dbraw/zinc/37/24/82/345372482.db2.gz QQPPLITUAOKGIA-UHFFFAOYSA-N 1 1 297.358 3.047 20 5 CGBDMO Cc1c(C[N@@H+]2CCOc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000079945463 345658875 /nfs/dbraw/zinc/65/88/75/345658875.db2.gz NXHVDIQJCQTBEG-UHFFFAOYSA-N 1 1 298.342 3.298 20 5 CGBDMO Cc1c(C[N@H+]2CCOc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000079945463 345658876 /nfs/dbraw/zinc/65/88/76/345658876.db2.gz NXHVDIQJCQTBEG-UHFFFAOYSA-N 1 1 298.342 3.298 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159688145 346168547 /nfs/dbraw/zinc/16/85/47/346168547.db2.gz YWQSXRHTHOPIBZ-ZFWWWQNUSA-N 1 1 260.337 3.359 20 5 CGBDMO Cn1c[nH+]cc1CCCSc1ccc([N+](=O)[O-])cc1F ZINC000594895882 347223715 /nfs/dbraw/zinc/22/37/15/347223715.db2.gz NTLPGHJYDFBWJY-UHFFFAOYSA-N 1 1 295.339 3.192 20 5 CGBDMO Cc1noc(C[NH2+][C@@H](c2ccccc2)C2CC2)c1[N+](=O)[O-] ZINC000595419877 347301017 /nfs/dbraw/zinc/30/10/17/347301017.db2.gz AKWHKZPZVDMEBK-AWEZNQCLSA-N 1 1 287.319 3.132 20 5 CGBDMO Cc1noc(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000595297246 347288274 /nfs/dbraw/zinc/28/82/74/347288274.db2.gz KZJRHPJKQUFNKI-CYZMBNFOSA-N 1 1 293.367 3.292 20 5 CGBDMO Cc1noc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c1[N+](=O)[O-] ZINC000595325741 347291877 /nfs/dbraw/zinc/29/18/77/347291877.db2.gz VPGOKFCRYWJQDT-HNNXBMFYSA-N 1 1 291.351 3.214 20 5 CGBDMO CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595349938 347295514 /nfs/dbraw/zinc/29/55/14/347295514.db2.gz FYFVDMSZXRLDBG-CMPLNLGQSA-N 1 1 281.356 3.292 20 5 CGBDMO CC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000595411094 347299213 /nfs/dbraw/zinc/29/92/13/347299213.db2.gz NTGCWTKKDWDXQR-GFCCVEGCSA-N 1 1 275.308 3.132 20 5 CGBDMO COc1ccc(C[N@H+]2CCC[C@@H](CCF)C2)cc1[N+](=O)[O-] ZINC000595754742 347350669 /nfs/dbraw/zinc/35/06/69/347350669.db2.gz BPCJKKNJJGDEQN-LBPRGKRZSA-N 1 1 296.342 3.175 20 5 CGBDMO CCC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595560165 347319752 /nfs/dbraw/zinc/31/97/52/347319752.db2.gz IVUXHCDGLJKFLA-UHFFFAOYSA-N 1 1 254.305 3.354 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595569406 347320279 /nfs/dbraw/zinc/32/02/79/347320279.db2.gz XXZZVYAFTGZZPG-GWCFXTLKSA-N 1 1 264.300 3.108 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595569406 347320281 /nfs/dbraw/zinc/32/02/81/347320281.db2.gz XXZZVYAFTGZZPG-GWCFXTLKSA-N 1 1 264.300 3.108 20 5 CGBDMO Cc1cc(NC[C@H]2CC[N@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596305914 347414068 /nfs/dbraw/zinc/41/40/68/347414068.db2.gz CWXQVQGXTUQPKS-CYBMUJFWSA-N 1 1 277.368 3.188 20 5 CGBDMO CCCCC[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595870859 347369064 /nfs/dbraw/zinc/36/90/64/347369064.db2.gz KKXYSAGALRCLAA-CQSZACIVSA-N 1 1 294.399 3.226 20 5 CGBDMO CC(C)c1ccc(CNCC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000596105981 347383941 /nfs/dbraw/zinc/38/39/41/347383941.db2.gz OLCBDRARCVVRFF-OAHLLOKOSA-N 1 1 293.411 3.181 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cs1 ZINC000599553522 347754421 /nfs/dbraw/zinc/75/44/21/347754421.db2.gz YBHRKKMBIZDTPE-MNOVXSKESA-N 1 1 284.406 3.126 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cs1 ZINC000599553522 347754423 /nfs/dbraw/zinc/75/44/23/347754423.db2.gz YBHRKKMBIZDTPE-MNOVXSKESA-N 1 1 284.406 3.126 20 5 CGBDMO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)o1 ZINC000601151972 347875561 /nfs/dbraw/zinc/87/55/61/347875561.db2.gz JLGNRYBQDPIYFD-UHFFFAOYSA-N 1 1 260.293 3.094 20 5 CGBDMO COCCCCN(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601176295 347878194 /nfs/dbraw/zinc/87/81/94/347878194.db2.gz USLONFQEFCPLIZ-UHFFFAOYSA-N 1 1 289.335 3.006 20 5 CGBDMO C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000602020160 347934344 /nfs/dbraw/zinc/93/43/44/347934344.db2.gz JLIZXBANMCLILS-OCCSQVGLSA-N 1 1 291.395 3.024 20 5 CGBDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602777611 348027410 /nfs/dbraw/zinc/02/74/10/348027410.db2.gz HLVGSNWSYQCOCN-OCCSQVGLSA-N 1 1 294.399 3.000 20 5 CGBDMO Cc1c(C[N@H+](C)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000608886424 348333540 /nfs/dbraw/zinc/33/35/40/348333540.db2.gz QQQNLVHLCSZUIE-UHFFFAOYSA-N 1 1 250.342 3.381 20 5 CGBDMO CC[C@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000609040589 348335781 /nfs/dbraw/zinc/33/57/81/348335781.db2.gz ADZOMULKFOKKET-ZDUSSCGKSA-N 1 1 278.352 3.238 20 5 CGBDMO C[C@@H]([N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000610619610 348392726 /nfs/dbraw/zinc/39/27/26/348392726.db2.gz ZGGLMCDAPPXLQZ-CYBMUJFWSA-N 1 1 292.379 3.484 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NCC[NH+]2Cc3ccccc3C2)c1 ZINC000610677337 348395398 /nfs/dbraw/zinc/39/53/98/348395398.db2.gz SQQPQBOFECESEB-UHFFFAOYSA-N 1 1 297.358 3.331 20 5 CGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC34CCC4)co2)cc1 ZINC000611171446 348426468 /nfs/dbraw/zinc/42/64/68/348426468.db2.gz RQKHQFIPMJPLGI-UHFFFAOYSA-N 1 1 299.330 3.378 20 5 CGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC34CCC4)co2)cc1 ZINC000611171446 348426471 /nfs/dbraw/zinc/42/64/71/348426471.db2.gz RQKHQFIPMJPLGI-UHFFFAOYSA-N 1 1 299.330 3.378 20 5 CGBDMO CC(C)C[N@H+]1CCC[C@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000611413753 348449440 /nfs/dbraw/zinc/44/94/40/348449440.db2.gz RGBPCIDXSNTOJO-GFCCVEGCSA-N 1 1 297.424 3.436 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000611521157 348458136 /nfs/dbraw/zinc/45/81/36/348458136.db2.gz JLAMZAMLGPGJJR-UHFFFAOYSA-N 1 1 260.337 3.480 20 5 CGBDMO CC(C)c1ccc(C[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000611521157 348458138 /nfs/dbraw/zinc/45/81/38/348458138.db2.gz JLAMZAMLGPGJJR-UHFFFAOYSA-N 1 1 260.337 3.480 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000615942286 348777139 /nfs/dbraw/zinc/77/71/39/348777139.db2.gz WCOOEZYOMJYEQN-GFCCVEGCSA-N 1 1 295.770 3.144 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000291582093 198042811 /nfs/dbraw/zinc/04/28/11/198042811.db2.gz OZVMBXJDEHCLJM-HNNXBMFYSA-N 1 1 272.348 3.359 20 5 CGBDMO CC(C)[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000291737307 198075177 /nfs/dbraw/zinc/07/51/77/198075177.db2.gz JVUKZVITFRZWRL-CYBMUJFWSA-N 1 1 298.770 3.248 20 5 CGBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000124282847 187129991 /nfs/dbraw/zinc/12/99/91/187129991.db2.gz MTNPHAMJNONDKC-DZGCQCFKSA-N 1 1 292.379 3.110 20 5 CGBDMO CSC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000292359873 198258885 /nfs/dbraw/zinc/25/88/85/198258885.db2.gz IBFNENURLXMOJL-LBPRGKRZSA-N 1 1 298.383 3.309 20 5 CGBDMO COc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000093338362 138344735 /nfs/dbraw/zinc/34/47/35/138344735.db2.gz MVMCPMLMDRCABX-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO COc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000093338362 138344736 /nfs/dbraw/zinc/34/47/36/138344736.db2.gz MVMCPMLMDRCABX-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000301626317 201103714 /nfs/dbraw/zinc/10/37/14/201103714.db2.gz ZXGPRTPTSIFPDS-AWEZNQCLSA-N 1 1 291.395 3.293 20 5 CGBDMO Cc1cc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)nc(C)[nH+]1 ZINC000301807505 201210498 /nfs/dbraw/zinc/21/04/98/201210498.db2.gz YTUHKLDJNPAXOG-UHFFFAOYSA-N 1 1 298.346 3.171 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC1CCOCC1 ZINC000120709057 370793746 /nfs/dbraw/zinc/79/37/46/370793746.db2.gz ZDSQUBBBONGOMJ-CYBMUJFWSA-N 1 1 292.379 3.404 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH+]2CC(C3CCCC3)C2)cs1 ZINC000459612047 242146210 /nfs/dbraw/zinc/14/62/10/242146210.db2.gz LWUCVOZTPWZWGC-UHFFFAOYSA-N 1 1 266.366 3.278 20 5 CGBDMO CC(C)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000478426375 243075638 /nfs/dbraw/zinc/07/56/38/243075638.db2.gz KBKZMXDFEGDSJC-UHFFFAOYSA-N 1 1 294.399 3.082 20 5 CGBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330615486 203040701 /nfs/dbraw/zinc/04/07/01/203040701.db2.gz UETZZPKMWQNBCW-AAEUAGOBSA-N 1 1 278.352 3.224 20 5 CGBDMO CCOc1cc(C[N@H+]2C[C@@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000492777716 244024000 /nfs/dbraw/zinc/02/40/00/244024000.db2.gz ZACJVPVWJMQURZ-NWDGAFQWSA-N 1 1 278.352 3.224 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000330734048 203167650 /nfs/dbraw/zinc/16/76/50/203167650.db2.gz UJNNCZOBFMMNJL-ZFWWWQNUSA-N 1 1 292.379 3.465 20 5 CGBDMO COCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000070081032 369779692 /nfs/dbraw/zinc/77/96/92/369779692.db2.gz STTBEYQUVYAGNS-UHFFFAOYSA-N 1 1 298.770 3.107 20 5 CGBDMO CC(C)c1ccc(C[N@H+](C[C@H](C)O)C(C)C)cc1[N+](=O)[O-] ZINC000093144627 370112828 /nfs/dbraw/zinc/11/28/28/370112828.db2.gz QXELMLWGRLKQER-ZDUSSCGKSA-N 1 1 294.395 3.309 20 5 CGBDMO O=[N+]([O-])c1ccc(NCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000097150694 370231679 /nfs/dbraw/zinc/23/16/79/370231679.db2.gz OSMGUXVJCCIASS-UHFFFAOYSA-N 1 1 297.358 3.065 20 5 CGBDMO CCC(CC)[N@@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000344029955 217017181 /nfs/dbraw/zinc/01/71/81/217017181.db2.gz BFDQNSBBOWSOBW-UHFFFAOYSA-N 1 1 290.367 3.482 20 5 CGBDMO Cc1c([C@H](C)[NH2+]Cc2ccco2)cccc1[N+](=O)[O-] ZINC000152037805 371667983 /nfs/dbraw/zinc/66/79/83/371667983.db2.gz JCZOHDOSTXDPGN-NSHDSACASA-N 1 1 260.293 3.347 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000160104273 372214779 /nfs/dbraw/zinc/21/47/79/372214779.db2.gz WVOKDLVHKYLNHU-OCCSQVGLSA-N 1 1 293.411 3.284 20 5 CGBDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000160104273 372214783 /nfs/dbraw/zinc/21/47/83/372214783.db2.gz WVOKDLVHKYLNHU-OCCSQVGLSA-N 1 1 293.411 3.284 20 5 CGBDMO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293478986 372392137 /nfs/dbraw/zinc/39/21/37/372392137.db2.gz RRHRYGJWMFDKGC-WDEREUQCSA-N 1 1 287.319 3.090 20 5 CGBDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293478986 372392144 /nfs/dbraw/zinc/39/21/44/372392144.db2.gz RRHRYGJWMFDKGC-WDEREUQCSA-N 1 1 287.319 3.090 20 5 CGBDMO CC(C)[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000293361058 372364152 /nfs/dbraw/zinc/36/41/52/372364152.db2.gz ZYLMLZFPSNERAX-BBRMVZONSA-N 1 1 292.379 3.403 20 5 CGBDMO Cc1ccncc1C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000353383625 220053450 /nfs/dbraw/zinc/05/34/50/220053450.db2.gz RTTALTUMQWOSFY-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1ccncc1C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000353383625 220053453 /nfs/dbraw/zinc/05/34/53/220053453.db2.gz RTTALTUMQWOSFY-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO C[N@H+](Cc1cccc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000171037752 372704298 /nfs/dbraw/zinc/70/42/98/372704298.db2.gz JWDCXSKPXIZEKZ-UHFFFAOYSA-N 1 1 274.295 3.366 20 5 CGBDMO C[N@@H+](Cc1cccc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000171037752 372704307 /nfs/dbraw/zinc/70/43/07/372704307.db2.gz JWDCXSKPXIZEKZ-UHFFFAOYSA-N 1 1 274.295 3.366 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295623396 372852167 /nfs/dbraw/zinc/85/21/67/372852167.db2.gz ZKCDLTBLEVMZRY-WFASDCNBSA-N 1 1 292.379 3.139 20 5 CGBDMO COc1ccc(C[N@H+]2CCC[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000438329523 372925700 /nfs/dbraw/zinc/92/57/00/372925700.db2.gz WFQWPMAWEJHKKJ-AWEZNQCLSA-N 1 1 292.379 3.471 20 5 CGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000441441149 373013733 /nfs/dbraw/zinc/01/37/33/373013733.db2.gz AUYCOONTPSTTSQ-CZUORRHYSA-N 1 1 290.363 3.238 20 5 CGBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000446894565 373378889 /nfs/dbraw/zinc/37/88/89/373378889.db2.gz NZZGIXYFFRPWBP-INIZCTEOSA-N 1 1 292.379 3.030 20 5 CGBDMO CC[N@H+]1CC[C@H](N(C)c2cc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000447073231 373401739 /nfs/dbraw/zinc/40/17/39/373401739.db2.gz SNBYMYDLCHPCSN-KGLIPLIRSA-N 1 1 291.395 3.212 20 5 CGBDMO C[C@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000301102134 373660528 /nfs/dbraw/zinc/66/05/28/373660528.db2.gz OITQFHONBSGQTM-NSHDSACASA-N 1 1 281.331 3.020 20 5 CGBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000301133212 373672653 /nfs/dbraw/zinc/67/26/53/373672653.db2.gz VDTWADIREFRPJQ-CYBMUJFWSA-N 1 1 292.383 3.056 20 5 CGBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000301373885 373763792 /nfs/dbraw/zinc/76/37/92/373763792.db2.gz UXBBKXCYOCSIBK-LLVKDONJSA-N 1 1 297.786 3.026 20 5 CGBDMO CCC[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000182939225 374346103 /nfs/dbraw/zinc/34/61/03/374346103.db2.gz RVVBVJIEYBNZSX-DZGCQCFKSA-N 1 1 292.379 3.465 20 5 CGBDMO CCC[C@@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000182939225 374346107 /nfs/dbraw/zinc/34/61/07/374346107.db2.gz RVVBVJIEYBNZSX-DZGCQCFKSA-N 1 1 292.379 3.465 20 5 CGBDMO CCOc1cc(C[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000331179501 374512464 /nfs/dbraw/zinc/51/24/64/374512464.db2.gz QOQYFMYVRNMVHV-GFCCVEGCSA-N 1 1 278.352 3.225 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331318358 374522247 /nfs/dbraw/zinc/52/22/47/374522247.db2.gz KCFISZKQMMHWHV-WFASDCNBSA-N 1 1 292.379 3.403 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331318358 374522251 /nfs/dbraw/zinc/52/22/51/374522251.db2.gz KCFISZKQMMHWHV-WFASDCNBSA-N 1 1 292.379 3.403 20 5 CGBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000332222023 374560193 /nfs/dbraw/zinc/56/01/93/374560193.db2.gz YCJVMCCPIZUTFK-UHFFFAOYSA-N 1 1 288.351 3.236 20 5 CGBDMO C[N@H+](Cc1cccc2c[nH]nc21)Cc1ccccc1[N+](=O)[O-] ZINC000507145738 375677894 /nfs/dbraw/zinc/67/78/94/375677894.db2.gz UEHUXWOARHZXJL-UHFFFAOYSA-N 1 1 296.330 3.103 20 5 CGBDMO C[N@@H+](Cc1cccc2c[nH]nc21)Cc1ccccc1[N+](=O)[O-] ZINC000507145738 375677901 /nfs/dbraw/zinc/67/79/01/375677901.db2.gz UEHUXWOARHZXJL-UHFFFAOYSA-N 1 1 296.330 3.103 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc3ncccc3c2)cs1 ZINC000192978100 375809935 /nfs/dbraw/zinc/80/99/35/375809935.db2.gz PUGKUMIIUWPZIN-UHFFFAOYSA-N 1 1 299.355 3.494 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336810827 375963283 /nfs/dbraw/zinc/96/32/83/375963283.db2.gz JPTVQCSEHZTFCF-CMPLNLGQSA-N 1 1 266.316 3.497 20 5 CGBDMO CCCC[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000248137315 377272588 /nfs/dbraw/zinc/27/25/88/377272588.db2.gz NQBQEOHCAMFVRN-UHFFFAOYSA-N 1 1 266.341 3.225 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000563157447 377410234 /nfs/dbraw/zinc/41/02/34/377410234.db2.gz FSBNOOSIAPEOLB-INIZCTEOSA-N 1 1 297.358 3.288 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1C(C)C ZINC000357660817 249108573 /nfs/dbraw/zinc/10/85/73/249108573.db2.gz USFAXUZGRZGFKV-AWEZNQCLSA-N 1 1 278.352 3.224 20 5 CGBDMO Cc1nc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]c1C ZINC000516585032 249237599 /nfs/dbraw/zinc/23/75/99/249237599.db2.gz INBLKINOMCJUHW-LBPRGKRZSA-N 1 1 288.351 3.094 20 5 CGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000255048330 377727549 /nfs/dbraw/zinc/72/75/49/377727549.db2.gz LKIPNHBSYHKLCC-VURMDHGXSA-N 1 1 260.337 3.482 20 5 CGBDMO CO[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1C ZINC000342716399 377751706 /nfs/dbraw/zinc/75/17/06/377751706.db2.gz DJYPZUBVZQHUGZ-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1C ZINC000342716399 377751718 /nfs/dbraw/zinc/75/17/18/377751718.db2.gz DJYPZUBVZQHUGZ-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000255368181 377753991 /nfs/dbraw/zinc/75/39/91/377753991.db2.gz TWVOKILZQBRPRT-DAXSKMNVSA-N 1 1 272.304 3.333 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](c3ccncc3)C2)cs1 ZINC000579021710 378123411 /nfs/dbraw/zinc/12/34/11/378123411.db2.gz GRBSJGFZJJDGTO-CYBMUJFWSA-N 1 1 289.360 3.041 20 5 CGBDMO COC(C)(C)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000346530119 378605988 /nfs/dbraw/zinc/60/59/88/378605988.db2.gz QSQCQQYPAVMRFL-UHFFFAOYSA-N 1 1 292.379 3.374 20 5 CGBDMO C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000349411578 379273833 /nfs/dbraw/zinc/27/38/33/379273833.db2.gz KYHDCWXYLMCKBH-HZMBPMFUSA-N 1 1 292.360 3.041 20 5 CGBDMO CC(C)c1[nH+]ccn1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000349817587 379399033 /nfs/dbraw/zinc/39/90/33/379399033.db2.gz XUTLRWABGXLWGA-UHFFFAOYSA-N 1 1 281.262 3.241 20 5 CGBDMO CO[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000377242780 379653062 /nfs/dbraw/zinc/65/30/62/379653062.db2.gz SNKXXGOQYVLBLY-LBPRGKRZSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000352611027 379876953 /nfs/dbraw/zinc/87/69/53/379876953.db2.gz BFXJTGMBTXWMHR-AWEZNQCLSA-N 1 1 266.316 3.356 20 5 CGBDMO C[C@H](c1ccccn1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282486917 379930394 /nfs/dbraw/zinc/93/03/94/379930394.db2.gz PKNTWPFXHPMUGO-CYBMUJFWSA-N 1 1 285.347 3.225 20 5 CGBDMO C[C@H]1CCSCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000286196976 380174331 /nfs/dbraw/zinc/17/43/31/380174331.db2.gz PVSTZJXSMRDIJE-JTQLQIEISA-N 1 1 284.356 3.061 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000355132227 380591685 /nfs/dbraw/zinc/59/16/85/380591685.db2.gz JDVFKLLUDRKSOM-NEPJUHHUSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000360597265 381587685 /nfs/dbraw/zinc/58/76/85/381587685.db2.gz LJWTWCHGCPLDPX-NSHDSACASA-N 1 1 266.316 3.356 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3CCC[C@H]32)cs1 ZINC000335196538 207897219 /nfs/dbraw/zinc/89/72/19/207897219.db2.gz SBWVZNMEMUURPQ-WDEREUQCSA-N 1 1 252.339 3.031 20 5 CGBDMO CO[C@@]1(C)CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000366266337 533026179 /nfs/dbraw/zinc/02/61/79/533026179.db2.gz HUEILHAGFJMRAR-ZDUSSCGKSA-N 1 1 284.381 3.047 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3occc32)c(F)c1 ZINC000350624512 219039704 /nfs/dbraw/zinc/03/97/04/219039704.db2.gz AUIBTOIRNIFRMF-CQSZACIVSA-N 1 1 290.294 3.494 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000492299210 285154248 /nfs/dbraw/zinc/15/42/48/285154248.db2.gz ZCMIJRVOUGCOJB-LLVKDONJSA-N 1 1 280.755 3.480 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCCc3occc3C2)c1 ZINC000288701249 197148204 /nfs/dbraw/zinc/14/82/04/197148204.db2.gz DTSHYNDRGASJCQ-UHFFFAOYSA-N 1 1 272.304 3.136 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCc3occc3C2)c1 ZINC000288701249 197148205 /nfs/dbraw/zinc/14/82/05/197148205.db2.gz DTSHYNDRGASJCQ-UHFFFAOYSA-N 1 1 272.304 3.136 20 5 CGBDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000366272589 533370040 /nfs/dbraw/zinc/37/00/40/533370040.db2.gz QTTHHWGFWYYCBB-MRXNPFEDSA-N 1 1 292.379 3.294 20 5 CGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCCOC1 ZINC000107064452 392314849 /nfs/dbraw/zinc/31/48/49/392314849.db2.gz DANANHDJTIDHRJ-NSHDSACASA-N 1 1 298.770 3.107 20 5 CGBDMO CO[C@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296154039 392554389 /nfs/dbraw/zinc/55/43/89/392554389.db2.gz UEFUVBQHKVDWAZ-DOMZBBRYSA-N 1 1 292.379 3.403 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505595529 392676822 /nfs/dbraw/zinc/67/68/22/392676822.db2.gz DVFLXWMDTBCJCJ-NSHDSACASA-N 1 1 266.316 3.498 20 5 CGBDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331467497 392694489 /nfs/dbraw/zinc/69/44/89/392694489.db2.gz KBKILMDFQBTVHA-QWRGUYRKSA-N 1 1 288.351 3.234 20 5 CGBDMO CO[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000374665289 392688011 /nfs/dbraw/zinc/68/80/11/392688011.db2.gz UVMZVMHKGQXACQ-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000511520680 392838043 /nfs/dbraw/zinc/83/80/43/392838043.db2.gz FYXTYUFQQDTCRK-PODYEWJSSA-N 1 1 260.337 3.482 20 5 CGBDMO C[C@H]1CCC[N@@H+](CCNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000195667310 392973291 /nfs/dbraw/zinc/97/32/91/392973291.db2.gz YVQKWMLEBKBUJM-NSHDSACASA-N 1 1 297.786 3.392 20 5 CGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000466923474 393073450 /nfs/dbraw/zinc/07/34/50/393073450.db2.gz KNOSFDRECNQPJH-YPMHNXCESA-N 1 1 278.352 3.224 20 5 CGBDMO COC(C)(C)C[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000547969498 393162595 /nfs/dbraw/zinc/16/25/95/393162595.db2.gz JECCSMBXUNAXQA-UHFFFAOYSA-N 1 1 286.759 3.105 20 5 CGBDMO COC(C)(C)C[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000547969498 393162598 /nfs/dbraw/zinc/16/25/98/393162598.db2.gz JECCSMBXUNAXQA-UHFFFAOYSA-N 1 1 286.759 3.105 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCO[C@@H](C)C1 ZINC000470174741 393228767 /nfs/dbraw/zinc/22/87/67/393228767.db2.gz NAQYANWMNPWERK-XXYUJHKVSA-N 1 1 290.363 3.109 20 5 CGBDMO CCOC[C@@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000267104116 393186993 /nfs/dbraw/zinc/18/69/93/393186993.db2.gz VCEKVKCCEQCJAM-CHWSQXEVSA-N 1 1 278.352 3.014 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000352004699 393199544 /nfs/dbraw/zinc/19/95/44/393199544.db2.gz PKEVEVDKJRWKHO-ZJUUUORDSA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000352004699 393199547 /nfs/dbraw/zinc/19/95/47/393199547.db2.gz PKEVEVDKJRWKHO-ZJUUUORDSA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000429577287 393486827 /nfs/dbraw/zinc/48/68/27/393486827.db2.gz FFAKXPSDSPQHCP-ONGXEEELSA-N 1 1 254.355 3.277 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429581159 393488189 /nfs/dbraw/zinc/48/81/89/393488189.db2.gz YEBPVZYTFHPFOJ-WCQYABFASA-N 1 1 278.352 3.224 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000430224863 393543275 /nfs/dbraw/zinc/54/32/75/393543275.db2.gz WROSSDZHBSXCEY-OAHLLOKOSA-N 1 1 290.363 3.368 20 5 CGBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302781544 397676906 /nfs/dbraw/zinc/67/69/06/397676906.db2.gz RXEZGYVWBFNWAK-PWSUYJOCSA-N 1 1 297.786 3.025 20 5 CGBDMO CC(C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000077358653 165122129 /nfs/dbraw/zinc/12/21/29/165122129.db2.gz IYEXOIUEKJAMRE-UHFFFAOYSA-N 1 1 278.352 3.237 20 5 CGBDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000091098048 165257875 /nfs/dbraw/zinc/25/78/75/165257875.db2.gz BAASYNQGCHVKSB-GFCCVEGCSA-N 1 1 268.382 3.168 20 5 CGBDMO CC[C@H](CSC)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000091097632 165257931 /nfs/dbraw/zinc/25/79/31/165257931.db2.gz SLEJKYWEEFRHGA-CYBMUJFWSA-N 1 1 282.409 3.477 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000174150236 287144515 /nfs/dbraw/zinc/14/45/15/287144515.db2.gz VYRZDCUCPRAAMQ-STQMWFEESA-N 1 1 278.352 3.014 20 5 CGBDMO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000285367891 196263756 /nfs/dbraw/zinc/26/37/56/196263756.db2.gz BVJOMGOKOFFGNT-UHFFFAOYSA-N 1 1 289.335 3.225 20 5 CGBDMO C[C@H](C1CC1)[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000103466596 270046054 /nfs/dbraw/zinc/04/60/54/270046054.db2.gz KEWWHTZJLUWTHI-SNVBAGLBSA-N 1 1 278.327 3.497 20 5 CGBDMO COC(C)(C)C[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000527054843 270124755 /nfs/dbraw/zinc/12/47/55/270124755.db2.gz JAPNOWBASPMLLJ-LCYFTJDESA-N 1 1 292.379 3.355 20 5 CGBDMO CC[C@H](C)C[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000530662447 270201649 /nfs/dbraw/zinc/20/16/49/270201649.db2.gz HDNXHDHRUOGMDL-LBPRGKRZSA-N 1 1 250.342 3.463 20 5 CGBDMO C[C@@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000311404832 274284608 /nfs/dbraw/zinc/28/46/08/274284608.db2.gz GWGVYADZKMHDLN-LLVKDONJSA-N 1 1 266.316 3.498 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2CC[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000361052046 276053284 /nfs/dbraw/zinc/05/32/84/276053284.db2.gz MXCLHWFVLAYMQC-HNNXBMFYSA-N 1 1 292.379 3.063 20 5 CGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000353775811 276364515 /nfs/dbraw/zinc/36/45/15/276364515.db2.gz PDFRGWMLHXYCFD-GJZGRUSLSA-N 1 1 292.379 3.230 20 5 CGBDMO CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000422837633 288060205 /nfs/dbraw/zinc/06/02/05/288060205.db2.gz MPQYCRGYTQIFCG-BJJXKVORSA-N 1 1 291.395 3.024 20 5 CGBDMO COC1(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000566789440 322137973 /nfs/dbraw/zinc/13/79/73/322137973.db2.gz FSQAFJWSZUYUAB-UHFFFAOYSA-N 1 1 292.379 3.028 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC000569668804 322253443 /nfs/dbraw/zinc/25/34/43/322253443.db2.gz CLUZTIPTZXCKRK-INIZCTEOSA-N 1 1 297.358 3.022 20 5 CGBDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000384261848 336123105 /nfs/dbraw/zinc/12/31/05/336123105.db2.gz LNVMFJQSPINPQT-YGRLFVJLSA-N 1 1 266.316 3.354 20 5 CGBDMO CCC[C@H](NCCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423529664 528219613 /nfs/dbraw/zinc/21/96/13/528219613.db2.gz QGGHLPXAKLATMC-INIZCTEOSA-N 1 1 291.395 3.168 20 5 CGBDMO CC(C)[N@@H+](CC[C@@H]1CCOC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000437583437 528913740 /nfs/dbraw/zinc/91/37/40/528913740.db2.gz WVNRRBFCPNSBRV-OAHLLOKOSA-N 1 1 292.379 3.232 20 5 CGBDMO CC(C)OC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000730570561 572364156 /nfs/dbraw/zinc/36/41/56/572364156.db2.gz MXFLKBLHUMGKBE-UHFFFAOYSA-N 1 1 296.342 3.123 20 5 CGBDMO C[C@H]1CCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000742427920 572581688 /nfs/dbraw/zinc/58/16/88/572581688.db2.gz UFUVWPBHDGDOFE-JTQLQIEISA-N 1 1 283.759 3.144 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000743856757 572691357 /nfs/dbraw/zinc/69/13/57/572691357.db2.gz NICUOPWXIJIONI-AOOOYVTPSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000743856757 572691363 /nfs/dbraw/zinc/69/13/63/572691363.db2.gz NICUOPWXIJIONI-AOOOYVTPSA-N 1 1 284.356 3.060 20 5 CGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000750074374 573079318 /nfs/dbraw/zinc/07/93/18/573079318.db2.gz XKUYCUWSOZMDFX-SJORKVTESA-N 1 1 298.342 3.075 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC2(CCC2)C1 ZINC000176924609 618760134 /nfs/dbraw/zinc/76/01/34/618760134.db2.gz UBRQWLZRNIYJAS-UHFFFAOYSA-N 1 1 264.300 3.110 20 5 CGBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CCCCC1 ZINC000178855032 619408732 /nfs/dbraw/zinc/40/87/32/619408732.db2.gz YFLYJSIUYYLGAP-MRXNPFEDSA-N 1 1 292.379 3.140 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000894687289 619604219 /nfs/dbraw/zinc/60/42/19/619604219.db2.gz AXKSUKRFMUEFRV-GFCCVEGCSA-N 1 1 266.728 3.233 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000894687289 619604222 /nfs/dbraw/zinc/60/42/22/619604222.db2.gz AXKSUKRFMUEFRV-GFCCVEGCSA-N 1 1 266.728 3.233 20 5 CGBDMO C[N@H+](Cc1ccoc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000048910293 619655026 /nfs/dbraw/zinc/65/50/26/619655026.db2.gz FCPDAAGGEMDPKJ-UHFFFAOYSA-N 1 1 280.711 3.473 20 5 CGBDMO C[N@@H+](Cc1ccoc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000048910293 619655034 /nfs/dbraw/zinc/65/50/34/619655034.db2.gz FCPDAAGGEMDPKJ-UHFFFAOYSA-N 1 1 280.711 3.473 20 5 CGBDMO O=[N+]([O-])c1ccccc1CNc1ccc(C2CC2)c[nH+]1 ZINC000897712812 620422120 /nfs/dbraw/zinc/42/21/20/620422120.db2.gz UWEMFCMZQHOLMA-UHFFFAOYSA-N 1 1 269.304 3.479 20 5 CGBDMO COc1cc([C@@H](C)[NH2+]Cc2ccc(C)o2)cc([N+](=O)[O-])c1 ZINC000903212060 621630995 /nfs/dbraw/zinc/63/09/95/621630995.db2.gz JGLKXTMKBWSBHY-LLVKDONJSA-N 1 1 290.319 3.356 20 5 CGBDMO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773897 623458444 /nfs/dbraw/zinc/45/84/44/623458444.db2.gz QWHZVXNPOXNTCC-MRVPVSSYSA-N 1 1 293.298 3.190 20 5 CGBDMO O=[N+]([O-])c1ccnn1C[NH+]1CCC(C2CCCCC2)CC1 ZINC000917468804 624274573 /nfs/dbraw/zinc/27/45/73/624274573.db2.gz YMJJGPLMBSBYCO-UHFFFAOYSA-N 1 1 292.383 3.041 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)nc1 ZINC000180414630 624748488 /nfs/dbraw/zinc/74/84/88/624748488.db2.gz XUVHCGGVYOZFKQ-SNVBAGLBSA-N 1 1 291.738 3.494 20 5 CGBDMO CCC[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000069062251 624788195 /nfs/dbraw/zinc/78/81/95/624788195.db2.gz SEZIEYMUSVKHFV-UHFFFAOYSA-N 1 1 281.337 3.171 20 5 CGBDMO CCC[N@@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000069062251 624788210 /nfs/dbraw/zinc/78/82/10/624788210.db2.gz SEZIEYMUSVKHFV-UHFFFAOYSA-N 1 1 281.337 3.171 20 5 CGBDMO CC1=CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000755769275 626644658 /nfs/dbraw/zinc/64/46/58/626644658.db2.gz CLRSETHOZIXNEF-UHFFFAOYSA-N 1 1 298.346 3.068 20 5 CGBDMO CC1=CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000755769275 626644659 /nfs/dbraw/zinc/64/46/59/626644659.db2.gz CLRSETHOZIXNEF-UHFFFAOYSA-N 1 1 298.346 3.068 20 5 CGBDMO CC[C@@H]([NH2+]Cc1cccc(F)n1)c1cccc([N+](=O)[O-])c1 ZINC000773095027 627855446 /nfs/dbraw/zinc/85/54/46/627855446.db2.gz JUCNVWJHECSZHF-CQSZACIVSA-N 1 1 289.310 3.370 20 5 CGBDMO CC[C@@]1(C)CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776589700 628221897 /nfs/dbraw/zinc/22/18/97/628221897.db2.gz VMDPOHNCUUOFFG-CVEARBPZSA-N 1 1 292.379 3.140 20 5 CGBDMO Cc1ccc(NCc2ccc([N+](=O)[O-])cc2F)[nH+]c1 ZINC000779063070 628386192 /nfs/dbraw/zinc/38/61/92/628386192.db2.gz UUIZNINJWHHMHT-UHFFFAOYSA-N 1 1 261.256 3.049 20 5 CGBDMO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000783575323 628728004 /nfs/dbraw/zinc/72/80/04/628728004.db2.gz YRPBDQKNYCTZFS-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000783575323 628728007 /nfs/dbraw/zinc/72/80/07/628728007.db2.gz YRPBDQKNYCTZFS-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC(C)(C)C1 ZINC000796530618 629796427 /nfs/dbraw/zinc/79/64/27/629796427.db2.gz IGAYJXHCJGIXLN-LSDHHAIUSA-N 1 1 292.379 3.139 20 5 CGBDMO CC(C)[N@@H+](C)C[C@@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811516424 631081992 /nfs/dbraw/zinc/08/19/92/631081992.db2.gz UCWHJPLDHDHGRA-LLVKDONJSA-N 1 1 299.802 3.067 20 5 CGBDMO CC(C)N(C)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811516424 631081999 /nfs/dbraw/zinc/08/19/99/631081999.db2.gz UCWHJPLDHDHGRA-LLVKDONJSA-N 1 1 299.802 3.067 20 5 CGBDMO Cc1nn(C[N@@H+]2CCCC[C@@H]2CC(C)C)c(C)c1[N+](=O)[O-] ZINC000122118118 633314479 /nfs/dbraw/zinc/31/44/79/633314479.db2.gz LZMRZCAASPFTFR-CQSZACIVSA-N 1 1 294.399 3.266 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000829029716 633683209 /nfs/dbraw/zinc/68/32/09/633683209.db2.gz YODXJDCOLATYJI-FZMZJTMJSA-N 1 1 278.327 3.498 20 5 CGBDMO CCc1cc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)on1 ZINC000873059581 634238662 /nfs/dbraw/zinc/23/86/62/634238662.db2.gz VCUZHAZIMJSWGC-UHFFFAOYSA-N 1 1 289.335 3.052 20 5 CGBDMO c1ccc2c(c1)cc1ccccc1c2CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841081370 635118678 /nfs/dbraw/zinc/11/86/78/635118678.db2.gz VZYAPDVZLQEZAG-PMOLBWCYSA-N 1 1 288.394 3.300 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879959758 635888722 /nfs/dbraw/zinc/88/87/22/635888722.db2.gz RQXDYGASOFNCOX-JSGCOSHPSA-N 1 1 292.379 3.139 20 5 CGBDMO CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000844405244 635891538 /nfs/dbraw/zinc/89/15/38/635891538.db2.gz UVNJHFBXQSHNLI-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3nccs3)C2)cc1 ZINC000880315507 635972354 /nfs/dbraw/zinc/97/23/54/635972354.db2.gz NNMMTNAZSMBJMM-GFCCVEGCSA-N 1 1 289.360 3.041 20 5 CGBDMO Cc1nn(C[N@H+]2CCC[C@@H]2CC2CCCC2)cc1[N+](=O)[O-] ZINC000848506966 636581819 /nfs/dbraw/zinc/58/18/19/636581819.db2.gz QVBLJZTYHLDKHO-CQSZACIVSA-N 1 1 292.383 3.102 20 5 CGBDMO O=[N+]([O-])c1c(F)cccc1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848784245 636657030 /nfs/dbraw/zinc/65/70/30/636657030.db2.gz VVWDESJEOPDSCV-OCCSQVGLSA-N 1 1 293.342 3.163 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000134969689 637059381 /nfs/dbraw/zinc/05/93/81/637059381.db2.gz CHENDRYZGQJKDP-VHSXEESVSA-N 1 1 268.744 3.479 20 5 CGBDMO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886001930 637352374 /nfs/dbraw/zinc/35/23/74/637352374.db2.gz NEHVLUJSOFZYIQ-GFCCVEGCSA-N 1 1 283.331 3.109 20 5 CGBDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886001930 637352377 /nfs/dbraw/zinc/35/23/77/637352377.db2.gz NEHVLUJSOFZYIQ-GFCCVEGCSA-N 1 1 283.331 3.109 20 5 CGBDMO CC[C@H]1c2ccccc2CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886011102 637360324 /nfs/dbraw/zinc/36/03/24/637360324.db2.gz VOSFJRVLJTXUNA-INIZCTEOSA-N 1 1 297.358 3.499 20 5 CGBDMO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886011102 637360329 /nfs/dbraw/zinc/36/03/29/637360329.db2.gz VOSFJRVLJTXUNA-INIZCTEOSA-N 1 1 297.358 3.499 20 5 CGBDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886012618 637361641 /nfs/dbraw/zinc/36/16/41/637361641.db2.gz LHVUNJKERTWODJ-CJNGLKHVSA-N 1 1 297.358 3.368 20 5 CGBDMO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1C ZINC000886158093 637441301 /nfs/dbraw/zinc/44/13/01/637441301.db2.gz RFSKDAAKIXVIDI-GXTWGEPZSA-N 1 1 277.368 3.390 20 5 CGBDMO CC[C@H](C)[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000852291755 637628725 /nfs/dbraw/zinc/62/87/25/637628725.db2.gz YSDHUPLGTVWOBV-JTQLQIEISA-N 1 1 281.312 3.123 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C)oc1C ZINC000119875744 641045143 /nfs/dbraw/zinc/04/51/43/641045143.db2.gz LHPYLDKXPASWKZ-UHFFFAOYSA-N 1 1 290.319 3.103 20 5 CGBDMO C[N@H+]1CCN(c2ccsc2[N+](=O)[O-])CC12CCCCC2 ZINC001163340753 806741762 /nfs/dbraw/zinc/74/17/62/806741762.db2.gz HLIXMGZSHOAIJH-UHFFFAOYSA-N 1 1 295.408 3.111 20 5 CGBDMO C[N@H+]1CCCC[C@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000700771445 799878396 /nfs/dbraw/zinc/87/83/96/799878396.db2.gz RJFARUFOVVWWFS-LLVKDONJSA-N 1 1 297.786 3.392 20 5 CGBDMO O=[N+]([O-])c1cc(Cn2cc[nH+]c2C2CC2)ccc1Cl ZINC000704174307 799934837 /nfs/dbraw/zinc/93/48/37/799934837.db2.gz LKSHKRBSHFTCKS-UHFFFAOYSA-N 1 1 277.711 3.370 20 5 CGBDMO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001168757578 807506586 /nfs/dbraw/zinc/50/65/86/807506586.db2.gz HPMSQNGIRMHSAY-VIFPVBQESA-N 1 1 293.273 3.119 20 5 CGBDMO CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006634 807550146 /nfs/dbraw/zinc/55/01/46/807550146.db2.gz IRORUWUFPFJPRY-JKSUJKDBSA-N 1 1 276.380 3.342 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC001169011979 807553585 /nfs/dbraw/zinc/55/35/85/807553585.db2.gz OGFWINLEZPWAGT-DAXOMENPSA-N 1 1 292.354 3.408 20 5 CGBDMO C[N@@H+](CCc1ccc(Cl)cc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034544 807555514 /nfs/dbraw/zinc/55/55/14/807555514.db2.gz HNSBKBXSDFVRIH-ZFWWWQNUSA-N 1 1 296.798 3.260 20 5 CGBDMO CC[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036867 807556152 /nfs/dbraw/zinc/55/61/52/807556152.db2.gz HSWMJVDSRJYGMV-FRFSOERESA-N 1 1 288.391 3.441 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC=C(c3ccccc3)CC2)C1 ZINC001169039927 807556955 /nfs/dbraw/zinc/55/69/55/807556955.db2.gz VXJYWEMIROZTON-RHSMWYFYSA-N 1 1 286.375 3.221 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2C2CCCCC2)C1 ZINC001169039659 807557577 /nfs/dbraw/zinc/55/75/77/807557577.db2.gz RXTOGRFAZGHTBS-FVQBIDKESA-N 1 1 280.412 3.477 20 5 CGBDMO CC[N@@H+](C(C)C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170326634 807827196 /nfs/dbraw/zinc/82/71/96/807827196.db2.gz AWQYZTVAMMUAGZ-GFCCVEGCSA-N 1 1 280.368 3.265 20 5 CGBDMO COC[C@H]1CCCC[N@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222965 808539759 /nfs/dbraw/zinc/53/97/59/808539759.db2.gz VVJMSKBDMNBINZ-CZUORRHYSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001173227107 808541834 /nfs/dbraw/zinc/54/18/34/808541834.db2.gz OCVXFYMDCWBZDQ-RISCZKNCSA-N 1 1 296.317 3.257 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC2(CCC2)C1 ZINC001173233989 808543023 /nfs/dbraw/zinc/54/30/23/808543023.db2.gz NOPMPEXLNZHFFG-ZDUSSCGKSA-N 1 1 274.364 3.402 20 5 CGBDMO CC(C)O[C@H]1CC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173234818 808544234 /nfs/dbraw/zinc/54/42/34/808544234.db2.gz UFHCMCATYQQXLA-CJNGLKHVSA-N 1 1 292.379 3.025 20 5 CGBDMO Cc1cccc2[nH+]cc(Nc3cc([N+](=O)[O-])ccc3F)n21 ZINC001175735017 809522805 /nfs/dbraw/zinc/52/28/05/809522805.db2.gz GQWLTFXYZFBVEX-UHFFFAOYSA-N 1 1 286.266 3.434 20 5 CGBDMO Cc1cc(C)[nH+]c(Nc2cc(O)cc([N+](=O)[O-])c2)c1 ZINC001199801412 811599024 /nfs/dbraw/zinc/59/90/24/811599024.db2.gz RSBQXCAYTXDEJJ-UHFFFAOYSA-N 1 1 259.265 3.056 20 5 CGBDMO COc1ncc(Nc2ccc3c[nH+]ccc3c2)cc1[N+](=O)[O-] ZINC001210138769 814306601 /nfs/dbraw/zinc/30/66/01/814306601.db2.gz YPHJBNXTAUWYGE-UHFFFAOYSA-N 1 1 296.286 3.290 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1Nc1c(C)[nH+]c2ccccn21 ZINC001210444789 814458981 /nfs/dbraw/zinc/45/89/81/814458981.db2.gz KEGTYBFBGNHPFR-UHFFFAOYSA-N 1 1 298.302 3.303 20 5 CGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(Cl)cc([N+](=O)[O-])c1)C2 ZINC001228255288 817852196 /nfs/dbraw/zinc/85/21/96/817852196.db2.gz HFXJIVNKNBYSGJ-GNXNZQSNSA-N 1 1 296.754 3.252 20 5 CGBDMO C[N@@H+](Cc1ccc2ccc3cccnc3c2n1)[C@@H]1CCOC1 ZINC001232223992 818284215 /nfs/dbraw/zinc/28/42/15/818284215.db2.gz YFKCBYKGNUVTFM-MRXNPFEDSA-N 1 1 293.370 3.004 20 5 CGBDMO CC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1C ZINC001459993835 928732708 /nfs/dbraw/zinc/73/27/08/928732708.db2.gz VSFIEXADKISIPH-GHMZBOCLSA-N 1 1 266.316 3.354 20 5 CGBDMO Cc1ccc(N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001458125612 937452059 /nfs/dbraw/zinc/45/20/59/937452059.db2.gz FDIUELLTGNHPHH-ZIAGYGMSSA-N 1 1 291.395 3.436 20 5 CGBDMO C[N@H+]1CCC[C@H](Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001229378136 932142629 /nfs/dbraw/zinc/14/26/29/932142629.db2.gz SBFYLDONLCPYBM-NSHDSACASA-N 1 1 284.743 3.111 20 5 CGBDMO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1CCC[N@H+](C)CC1 ZINC001229881911 932497634 /nfs/dbraw/zinc/49/76/34/932497634.db2.gz IGGVMOIVZKWHQA-CYBMUJFWSA-N 1 1 278.352 3.075 20 5 CGBDMO C[N@H+]1CCC[C@@H](Oc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001229961953 932511287 /nfs/dbraw/zinc/51/12/87/932511287.db2.gz LPVONUCRVVHPML-SNVBAGLBSA-N 1 1 284.743 3.111 20 5 CGBDMO C[C@@H](Oc1ccc2[nH+]c(N)[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC001230515645 932582920 /nfs/dbraw/zinc/58/29/20/932582920.db2.gz KYQWHBQWFYAIDT-SECBINFHSA-N 1 1 298.302 3.193 20 5 CGBDMO C[N@H+]1CCC[C@H](Oc2ccc3ccccc3c2[N+](=O)[O-])C1 ZINC001230622153 932600166 /nfs/dbraw/zinc/60/01/66/932600166.db2.gz HULCLMBWAGSRFI-ZDUSSCGKSA-N 1 1 286.331 3.221 20 5 CGBDMO Cc1cc(NCC[N@H+]2CCCC2(C)C)c([N+](=O)[O-])s1 ZINC001472803666 937784692 /nfs/dbraw/zinc/78/46/92/937784692.db2.gz GUUZTTLOHGOJAR-UHFFFAOYSA-N 1 1 283.397 3.251 20 5 CGBDMO Cc1cc(NCCNc2ccc(C)c[nH+]2)c([N+](=O)[O-])s1 ZINC001472885303 937787923 /nfs/dbraw/zinc/78/79/23/937787923.db2.gz OPMASYQVOKPVFA-UHFFFAOYSA-N 1 1 292.364 3.192 20 5 CGBDMO CC1(C)C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC001331236334 935360623 /nfs/dbraw/zinc/36/06/23/935360623.db2.gz LOQITSPIRGVTOZ-UHFFFAOYSA-N 1 1 266.316 3.354 20 5 CGBDMO CC1(C)C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC001331236334 935360628 /nfs/dbraw/zinc/36/06/28/935360628.db2.gz LOQITSPIRGVTOZ-UHFFFAOYSA-N 1 1 266.316 3.354 20 5 CGBDMO CCC[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001473859280 937825036 /nfs/dbraw/zinc/82/50/36/937825036.db2.gz FXLYASQTHZAJHU-NSHDSACASA-N 1 1 288.351 3.236 20 5 CGBDMO C[N@H+]1CCC[C@H]1CCSc1cccc([N+](=O)[O-])c1 ZINC000337759642 214249421 /nfs/dbraw/zinc/24/94/21/214249421.db2.gz ODQOSDTVUUVENO-NSHDSACASA-N 1 1 266.366 3.171 20 5 CGBDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000167417427 529409536 /nfs/dbraw/zinc/40/95/36/529409536.db2.gz WEGONPKNKWCIKQ-LLVKDONJSA-N 1 1 286.372 3.307 20 5 CGBDMO CC(C)[N@H+](Cc1ccccn1)Cc1ccccc1[N+](=O)[O-] ZINC000048273180 345064006 /nfs/dbraw/zinc/06/40/06/345064006.db2.gz UITLAKROECMPNM-UHFFFAOYSA-N 1 1 285.347 3.400 20 5 CGBDMO CC(C)[N@@H+](Cc1ccccn1)Cc1ccccc1[N+](=O)[O-] ZINC000048273180 345064011 /nfs/dbraw/zinc/06/40/11/345064011.db2.gz UITLAKROECMPNM-UHFFFAOYSA-N 1 1 285.347 3.400 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000059403317 345207585 /nfs/dbraw/zinc/20/75/85/345207585.db2.gz HSYIWOXZPFJGCQ-GFCCVEGCSA-N 1 1 250.342 3.258 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CC(C)C)C1CC1 ZINC000075610821 345514986 /nfs/dbraw/zinc/51/49/86/345514986.db2.gz OOPSSGFYZHWDBO-UHFFFAOYSA-N 1 1 278.352 3.224 20 5 CGBDMO COc1ccc2c(c1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000082171306 345721843 /nfs/dbraw/zinc/72/18/43/345721843.db2.gz QKGXPDDCZYHUQE-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO COc1ccc2c(c1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000082171306 345721845 /nfs/dbraw/zinc/72/18/45/345721845.db2.gz QKGXPDDCZYHUQE-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083216327 345724883 /nfs/dbraw/zinc/72/48/83/345724883.db2.gz BKQVAJNEUBEWFC-GHMZBOCLSA-N 1 1 289.335 3.356 20 5 CGBDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000091097633 345804092 /nfs/dbraw/zinc/80/40/92/345804092.db2.gz WFVKMWFVBVMGAB-LBPRGKRZSA-N 1 1 298.408 3.177 20 5 CGBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccoc1 ZINC000102407667 345915700 /nfs/dbraw/zinc/91/57/00/345915700.db2.gz JZRBEGFOGZKKLK-UHFFFAOYSA-N 1 1 290.319 3.089 20 5 CGBDMO Cc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000314127572 346481353 /nfs/dbraw/zinc/48/13/53/346481353.db2.gz JWDMUFIIIAGNEH-GFCCVEGCSA-N 1 1 295.358 3.185 20 5 CGBDMO Cc1cc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(F)cc1[N+](=O)[O-] ZINC000314747077 346482747 /nfs/dbraw/zinc/48/27/47/346482747.db2.gz QNACKZAXFVCWJC-JSGCOSHPSA-N 1 1 293.342 3.081 20 5 CGBDMO C[N@@H+](CCNc1ccsc1[N+](=O)[O-])C1CCCCC1 ZINC000589563011 346800391 /nfs/dbraw/zinc/80/03/91/346800391.db2.gz PMEWULKVRZXCBT-UHFFFAOYSA-N 1 1 283.397 3.333 20 5 CGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccsc1[N+](=O)[O-] ZINC000589608947 346802330 /nfs/dbraw/zinc/80/23/30/346802330.db2.gz VQLFCKJSALNPBP-JTQLQIEISA-N 1 1 271.386 3.189 20 5 CGBDMO C[C@@H]1CCCC[C@H]1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595425933 347301823 /nfs/dbraw/zinc/30/18/23/347301823.db2.gz VKRQNFQUROYHBB-OLZOCXBDSA-N 1 1 289.379 3.174 20 5 CGBDMO Cc1noc(C[N@H+]2CCCC[C@@H]2CC2CCC2)c1[N+](=O)[O-] ZINC000595870856 347368998 /nfs/dbraw/zinc/36/89/98/347368998.db2.gz KKVIENWLQHUMSD-CYBMUJFWSA-N 1 1 293.367 3.436 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000596308327 347414349 /nfs/dbraw/zinc/41/43/49/347414349.db2.gz RAMHVLMEMWWJTN-LLVKDONJSA-N 1 1 281.331 3.019 20 5 CGBDMO Cc1cc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])s1 ZINC000596076872 347379644 /nfs/dbraw/zinc/37/96/44/347379644.db2.gz QYYUTVKQBOPALX-JQWIXIFHSA-N 1 1 281.381 3.003 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000596308779 347414793 /nfs/dbraw/zinc/41/47/93/347414793.db2.gz URUBNTWSELDAKM-LBPRGKRZSA-N 1 1 277.368 3.127 20 5 CGBDMO Cc1cc(NC[C@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])s1 ZINC000596093646 347382361 /nfs/dbraw/zinc/38/23/61/347382361.db2.gz CSZVEPNULDHNNC-GFCCVEGCSA-N 1 1 297.424 3.497 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3scnc32)cc1 ZINC000599036445 347708671 /nfs/dbraw/zinc/70/86/71/347708671.db2.gz RGXWXGXRKFKHQU-LBPRGKRZSA-N 1 1 289.360 3.219 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC(F)(F)CC1 ZINC000599551388 347753446 /nfs/dbraw/zinc/75/34/46/347753446.db2.gz MDFGQFHGCXSZHQ-UHFFFAOYSA-N 1 1 288.269 3.355 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCC(F)(F)CC1 ZINC000599551388 347753448 /nfs/dbraw/zinc/75/34/48/347753448.db2.gz MDFGQFHGCXSZHQ-UHFFFAOYSA-N 1 1 288.269 3.355 20 5 CGBDMO Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])o1 ZINC000601304864 347890536 /nfs/dbraw/zinc/89/05/36/347890536.db2.gz SLRCKMJVAHIJNQ-AWEZNQCLSA-N 1 1 272.304 3.273 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[NH+]2C[C@@H]3CCC[C@H]3C2)c(F)c1 ZINC000351879037 219235329 /nfs/dbraw/zinc/23/53/29/219235329.db2.gz GGOPCEYIVABSSH-UWVGGRQHSA-N 1 1 282.290 3.105 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[NH+]2C[C@H]3CCC[C@@H]3C2)c(F)c1 ZINC000351879034 219235440 /nfs/dbraw/zinc/23/54/40/219235440.db2.gz GGOPCEYIVABSSH-NXEZZACHSA-N 1 1 282.290 3.105 20 5 CGBDMO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000602020158 347933904 /nfs/dbraw/zinc/93/39/04/347933904.db2.gz JLIZXBANMCLILS-GXTWGEPZSA-N 1 1 291.395 3.024 20 5 CGBDMO CC[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000604012200 348106535 /nfs/dbraw/zinc/10/65/35/348106535.db2.gz KLSUMQUSIQMYTH-AWEZNQCLSA-N 1 1 292.379 3.486 20 5 CGBDMO CC[N@@H+](CCC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC000604525317 348123493 /nfs/dbraw/zinc/12/34/93/348123493.db2.gz NILYGXWEVSIBNG-UHFFFAOYSA-N 1 1 276.258 3.369 20 5 CGBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000608886415 348333528 /nfs/dbraw/zinc/33/35/28/348333528.db2.gz OHNBKFYDQRNTNM-UHFFFAOYSA-N 1 1 280.368 3.342 20 5 CGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccsc1[N+](=O)[O-] ZINC000609560572 348346673 /nfs/dbraw/zinc/34/66/73/348346673.db2.gz PHWOLHPMAYHEFY-GRYCIOLGSA-N 1 1 297.424 3.435 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCOC(C)(C)C ZINC000610859746 348406986 /nfs/dbraw/zinc/40/69/86/348406986.db2.gz KVGWYZRJFRZKMT-LBPRGKRZSA-N 1 1 280.368 3.403 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000610958322 348412019 /nfs/dbraw/zinc/41/20/19/348412019.db2.gz KCEAOXJHUHMBTM-LBPRGKRZSA-N 1 1 286.335 3.089 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000611271356 348434324 /nfs/dbraw/zinc/43/43/24/348434324.db2.gz VOTMQFVMRIJYJC-AWEZNQCLSA-N 1 1 286.331 3.486 20 5 CGBDMO Cc1c(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000123712729 187105397 /nfs/dbraw/zinc/10/53/97/187105397.db2.gz YIRPYCWZRKKRKK-IUODEOHRSA-N 1 1 292.379 3.029 20 5 CGBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCS1 ZINC000157466991 188318674 /nfs/dbraw/zinc/31/86/74/188318674.db2.gz UZAMWZVMNIRFGH-NSHDSACASA-N 1 1 284.356 3.061 20 5 CGBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCS1 ZINC000157466991 188318676 /nfs/dbraw/zinc/31/86/76/188318676.db2.gz UZAMWZVMNIRFGH-NSHDSACASA-N 1 1 284.356 3.061 20 5 CGBDMO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCS1 ZINC000158730927 188391019 /nfs/dbraw/zinc/39/10/19/188391019.db2.gz KOUJXAWCFZPFEO-UHFFFAOYSA-N 1 1 284.356 3.061 20 5 CGBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCS1 ZINC000158730927 188391020 /nfs/dbraw/zinc/39/10/20/188391020.db2.gz KOUJXAWCFZPFEO-UHFFFAOYSA-N 1 1 284.356 3.061 20 5 CGBDMO Cc1nc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000130062063 138399284 /nfs/dbraw/zinc/39/92/84/138399284.db2.gz GXEMYPAMSZTZHE-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO Cc1nc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000130062063 138399285 /nfs/dbraw/zinc/39/92/85/138399285.db2.gz GXEMYPAMSZTZHE-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO Cc1c([C@@H](C)[NH2+][C@H](CN)C2CCCC2)cccc1[N+](=O)[O-] ZINC000423499751 236086942 /nfs/dbraw/zinc/08/69/42/236086942.db2.gz JORXGUZBENBQCW-IUODEOHRSA-N 1 1 291.395 3.071 20 5 CGBDMO O=[N+]([O-])c1cccc([C@H]([NH2+]CCF)c2ccccc2)c1 ZINC000436296399 237074697 /nfs/dbraw/zinc/07/46/97/237074697.db2.gz UOVSURQIJJQXHQ-OAHLLOKOSA-N 1 1 274.295 3.243 20 5 CGBDMO C[C@H](C[N@H+](C)Cc1csc([N+](=O)[O-])c1)c1nccs1 ZINC000183976116 189373376 /nfs/dbraw/zinc/37/33/76/189373376.db2.gz BSNXJTKGJVAZGW-SECBINFHSA-N 1 1 297.405 3.348 20 5 CGBDMO C[C@H](C[N@@H+](C)Cc1csc([N+](=O)[O-])c1)c1nccs1 ZINC000183976116 189373377 /nfs/dbraw/zinc/37/33/77/189373377.db2.gz BSNXJTKGJVAZGW-SECBINFHSA-N 1 1 297.405 3.348 20 5 CGBDMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000301998006 201292408 /nfs/dbraw/zinc/29/24/08/201292408.db2.gz QLOJARRBYNVWCR-DLBZAZTESA-N 1 1 297.358 3.452 20 5 CGBDMO C[C@H]1Cc2[nH+]cn(Cc3csc([N+](=O)[O-])c3)c2C[C@@H]1C ZINC000451005009 240188112 /nfs/dbraw/zinc/18/81/12/240188112.db2.gz XNXZWFDBCVMHEZ-UWVGGRQHSA-N 1 1 291.376 3.272 20 5 CGBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC[C@H]1CCCO1 ZINC000343476673 216789520 /nfs/dbraw/zinc/78/95/20/216789520.db2.gz VLCJEULYUXDCEL-IJVDHGTGSA-N 1 1 290.363 3.109 20 5 CGBDMO CC(C)N1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000037117811 369063303 /nfs/dbraw/zinc/06/33/03/369063303.db2.gz IOTIHHADYUXQGS-CYBMUJFWSA-N 1 1 291.395 3.118 20 5 CGBDMO CCOc1cc(C[N@@H+](C)C[C@@H](C)CC)ccc1[N+](=O)[O-] ZINC000492721071 244013883 /nfs/dbraw/zinc/01/38/83/244013883.db2.gz JQCOKEJXCBBIPG-LBPRGKRZSA-N 1 1 280.368 3.471 20 5 CGBDMO CCOc1cc(C[N@H+]2CC[C@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492719859 244014489 /nfs/dbraw/zinc/01/44/89/244014489.db2.gz GCYTWPGKBFKVLB-QWHCGFSZSA-N 1 1 292.379 3.471 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc(F)ccc1F ZINC000048326868 369341456 /nfs/dbraw/zinc/34/14/56/369341456.db2.gz IDOAWWNWQQEOIV-UHFFFAOYSA-N 1 1 278.258 3.163 20 5 CGBDMO CC(C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000054128204 369495628 /nfs/dbraw/zinc/49/56/28/369495628.db2.gz QFMCBZLCMPYGRA-UHFFFAOYSA-N 1 1 271.748 3.000 20 5 CGBDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276293614 193274829 /nfs/dbraw/zinc/27/48/29/193274829.db2.gz ILQZJFMQHDXXBG-NSHDSACASA-N 1 1 284.356 3.061 20 5 CGBDMO CCOC[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000072976190 369846691 /nfs/dbraw/zinc/84/66/91/369846691.db2.gz IJDCBAGQJAOXEB-AWEZNQCLSA-N 1 1 292.379 3.152 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(C(F)(F)F)CC2)cc1 ZINC000075969268 369923499 /nfs/dbraw/zinc/92/34/99/369923499.db2.gz FLARTPCXNUYCDA-UHFFFAOYSA-N 1 1 288.269 3.369 20 5 CGBDMO CS[C@H]1CCCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000134558532 371350117 /nfs/dbraw/zinc/35/01/17/371350117.db2.gz LDVJYYUUHZVGQA-NSHDSACASA-N 1 1 286.422 3.374 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccco1 ZINC000152037372 371668709 /nfs/dbraw/zinc/66/87/09/371668709.db2.gz GCOFJVZRSNFUEQ-LLVKDONJSA-N 1 1 260.293 3.347 20 5 CGBDMO CC(C)OCCC[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000344190110 217089990 /nfs/dbraw/zinc/08/99/90/217089990.db2.gz RAAXKGSSDPVLRP-ZDUSSCGKSA-N 1 1 280.368 3.403 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000428471559 372216800 /nfs/dbraw/zinc/21/68/00/372216800.db2.gz XZSIUGKFUOXNPY-CQSZACIVSA-N 1 1 292.379 3.065 20 5 CGBDMO CCCC[N@@H+](C)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163509363 372475849 /nfs/dbraw/zinc/47/58/49/372475849.db2.gz SOYQEIWLQJJSNI-CQSZACIVSA-N 1 1 293.411 3.286 20 5 CGBDMO CCCCN(C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163509363 372475863 /nfs/dbraw/zinc/47/58/63/372475863.db2.gz SOYQEIWLQJJSNI-CQSZACIVSA-N 1 1 293.411 3.286 20 5 CGBDMO CC(C)[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000432151811 372541734 /nfs/dbraw/zinc/54/17/34/372541734.db2.gz HTBRHDWRJRQTAV-CYBMUJFWSA-N 1 1 297.786 3.025 20 5 CGBDMO CC(C)[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000432151811 372541740 /nfs/dbraw/zinc/54/17/40/372541740.db2.gz HTBRHDWRJRQTAV-CYBMUJFWSA-N 1 1 297.786 3.025 20 5 CGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@H+]2C2CC2)c(F)c1 ZINC000433810003 372636089 /nfs/dbraw/zinc/63/60/89/372636089.db2.gz CHBGNADKXRUQQT-ZDUSSCGKSA-N 1 1 293.342 3.163 20 5 CGBDMO Cc1nocc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000295276957 372724648 /nfs/dbraw/zinc/72/46/48/372724648.db2.gz IDKNCXFUWULFPP-UHFFFAOYSA-N 1 1 289.335 3.302 20 5 CGBDMO Cc1nocc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000295276957 372724655 /nfs/dbraw/zinc/72/46/55/372724655.db2.gz IDKNCXFUWULFPP-UHFFFAOYSA-N 1 1 289.335 3.302 20 5 CGBDMO COc1ccc(C[N@@H+](C)C[C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000353448738 220088715 /nfs/dbraw/zinc/08/87/15/220088715.db2.gz ORXDEPQXNAFWPT-ZDUSSCGKSA-N 1 1 290.363 3.392 20 5 CGBDMO CC(C)C[C@H]1CCCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174872526 373375823 /nfs/dbraw/zinc/37/58/23/373375823.db2.gz UNRLJHFDXQMSOB-CQSZACIVSA-N 1 1 294.399 3.082 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC2(CCC2)C1 ZINC000176937850 373643845 /nfs/dbraw/zinc/64/38/45/373643845.db2.gz RAYRTLBLSAAULK-UHFFFAOYSA-N 1 1 290.363 3.370 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000177182345 373660890 /nfs/dbraw/zinc/66/08/90/373660890.db2.gz FIMMOOZBBLKDDI-LSDHHAIUSA-N 1 1 292.404 3.455 20 5 CGBDMO C[C@@H](CNc1cccc(F)c1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000301100867 373661450 /nfs/dbraw/zinc/66/14/50/373661450.db2.gz ONFAEXYHCBTDMF-NEPJUHHUSA-N 1 1 295.358 3.266 20 5 CGBDMO C[N@@H+](CCNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000301128484 373671437 /nfs/dbraw/zinc/67/14/37/373671437.db2.gz RYKBOZOGEPMAIV-UHFFFAOYSA-N 1 1 277.368 3.271 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c(Cl)c1 ZINC000182227603 374240351 /nfs/dbraw/zinc/24/03/51/374240351.db2.gz HQBQPJMKFWJFJK-PHIMTYICSA-N 1 1 280.755 3.480 20 5 CGBDMO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1C ZINC000487977025 375290503 /nfs/dbraw/zinc/29/05/03/375290503.db2.gz FMFLQOKXPCRBSX-CZUORRHYSA-N 1 1 292.379 3.232 20 5 CGBDMO C[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000508975825 375767120 /nfs/dbraw/zinc/76/71/20/375767120.db2.gz GZTAINDEADCAAH-NXEZZACHSA-N 1 1 284.306 3.351 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000508975825 375767122 /nfs/dbraw/zinc/76/71/22/375767122.db2.gz GZTAINDEADCAAH-NXEZZACHSA-N 1 1 284.306 3.351 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(Cn2c[nH+]c3c2CCCC3)c1 ZINC000216701143 376167215 /nfs/dbraw/zinc/16/72/15/376167215.db2.gz LWZXRYUMARBVIX-UHFFFAOYSA-N 1 1 291.738 3.372 20 5 CGBDMO CC[N@@H+](CCNc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000227347424 376391362 /nfs/dbraw/zinc/39/13/62/376391362.db2.gz YKNPZRLPWQCLFU-UHFFFAOYSA-N 1 1 283.759 3.144 20 5 CGBDMO C[N@H+](C/C=C/c1ccncc1)CCc1cccc([N+](=O)[O-])c1 ZINC000338955827 376601017 /nfs/dbraw/zinc/60/10/17/376601017.db2.gz RLOQEIHVIUYEHV-HWKANZROSA-N 1 1 297.358 3.178 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000543856893 376685154 /nfs/dbraw/zinc/68/51/54/376685154.db2.gz OOVZCSPXIZXNAM-AOOOYVTPSA-N 1 1 268.744 3.336 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cccc(O)c1 ZINC000544605569 376750546 /nfs/dbraw/zinc/75/05/46/376750546.db2.gz BERBQWWAIYKUNE-UHFFFAOYSA-N 1 1 286.331 3.241 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC[C@H]1CCCO1 ZINC000342609580 377689515 /nfs/dbraw/zinc/68/95/15/377689515.db2.gz VBNRUJXIAIXJQJ-UKRRQHHQSA-N 1 1 292.379 3.465 20 5 CGBDMO CSCCC[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000343661433 378058675 /nfs/dbraw/zinc/05/86/75/378058675.db2.gz QLNZZSZJWUYVPO-UHFFFAOYSA-N 1 1 268.382 3.088 20 5 CGBDMO CCC[N@H+]1CCC[C@@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000343940189 378138532 /nfs/dbraw/zinc/13/85/32/378138532.db2.gz DKACSBOASVCVJN-SNVBAGLBSA-N 1 1 299.321 3.159 20 5 CGBDMO Cc1c(C[N@H+]2CCC[C@]2(C)CCCO)cccc1[N+](=O)[O-] ZINC000271184983 378474912 /nfs/dbraw/zinc/47/49/12/378474912.db2.gz IWKXMGPYMCKJQR-MRXNPFEDSA-N 1 1 292.379 3.030 20 5 CGBDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000348235126 378854502 /nfs/dbraw/zinc/85/45/02/378854502.db2.gz BPQNRIWRUDSKNU-SKDRFNHKSA-N 1 1 288.269 3.368 20 5 CGBDMO CCC(C)(C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348364702 378928962 /nfs/dbraw/zinc/92/89/62/378928962.db2.gz FVHVCTJUKQBXOF-UHFFFAOYSA-N 1 1 276.340 3.092 20 5 CGBDMO CO[C@@H](C)C[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000348835767 379073549 /nfs/dbraw/zinc/07/35/49/379073549.db2.gz UMOITURFLBBBQE-LBPRGKRZSA-N 1 1 280.368 3.185 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000266539736 190265493 /nfs/dbraw/zinc/26/54/93/190265493.db2.gz PJQIGTTYVFDEAF-NWDGAFQWSA-N 1 1 278.352 3.155 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000266539736 190265494 /nfs/dbraw/zinc/26/54/94/190265494.db2.gz PJQIGTTYVFDEAF-NWDGAFQWSA-N 1 1 278.352 3.155 20 5 CGBDMO CC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000266552429 190266744 /nfs/dbraw/zinc/26/67/44/190266744.db2.gz USNFUKBTZKZCQM-YNEHKIRRSA-N 1 1 278.352 3.155 20 5 CGBDMO CC[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000266552429 190266745 /nfs/dbraw/zinc/26/67/45/190266745.db2.gz USNFUKBTZKZCQM-YNEHKIRRSA-N 1 1 278.352 3.155 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCS1 ZINC000282411797 379914477 /nfs/dbraw/zinc/91/44/77/379914477.db2.gz FYUJJZFCHCPUNX-JTQLQIEISA-N 1 1 284.356 3.061 20 5 CGBDMO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000353935311 380244180 /nfs/dbraw/zinc/24/41/80/380244180.db2.gz UJDFXYOPOKQNCK-BXUZGUMPSA-N 1 1 298.408 3.292 20 5 CGBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000353935311 380244183 /nfs/dbraw/zinc/24/41/83/380244183.db2.gz UJDFXYOPOKQNCK-BXUZGUMPSA-N 1 1 298.408 3.292 20 5 CGBDMO CC(C)c1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414926504 380492247 /nfs/dbraw/zinc/49/22/47/380492247.db2.gz NHZNGOMVXZSNOV-ZIAGYGMSSA-N 1 1 291.395 3.078 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000354739468 380546285 /nfs/dbraw/zinc/54/62/85/380546285.db2.gz YRCCWZZOBAEVTM-AWEZNQCLSA-N 1 1 292.379 3.065 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC2(CCC2)C1 ZINC000348164184 218483371 /nfs/dbraw/zinc/48/33/71/218483371.db2.gz BGVVIRXQTWMYSZ-UHFFFAOYSA-N 1 1 260.337 3.361 20 5 CGBDMO COCCCC[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000418142805 380712247 /nfs/dbraw/zinc/71/22/47/380712247.db2.gz HWSILWYYXJYWSK-KAMYIIQDSA-N 1 1 292.379 3.357 20 5 CGBDMO C[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000357725815 381265511 /nfs/dbraw/zinc/26/55/11/381265511.db2.gz DJUNHYMPEUUDCQ-OLZOCXBDSA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@@H]1CCSCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361647676 381857910 /nfs/dbraw/zinc/85/79/10/381857910.db2.gz ZSJWNCONWQVDLR-RYWCDNDXSA-N 1 1 292.404 3.435 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)CC[C@H]1C ZINC000362435584 381990965 /nfs/dbraw/zinc/99/09/65/381990965.db2.gz DLYQAAQXYAQMFO-VXGBXAGGSA-N 1 1 278.352 3.224 20 5 CGBDMO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000363500665 382226295 /nfs/dbraw/zinc/22/62/95/382226295.db2.gz TYWBRQKJOAYCGU-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000363500665 382226303 /nfs/dbraw/zinc/22/63/03/382226303.db2.gz TYWBRQKJOAYCGU-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000353775810 220321262 /nfs/dbraw/zinc/32/12/62/220321262.db2.gz PDFRGWMLHXYCFD-CABCVRRESA-N 1 1 292.379 3.230 20 5 CGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000353775812 220322875 /nfs/dbraw/zinc/32/28/75/220322875.db2.gz PDFRGWMLHXYCFD-HUUCEWRRSA-N 1 1 292.379 3.230 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1CCCC1)CC2 ZINC000342945625 285142014 /nfs/dbraw/zinc/14/20/14/285142014.db2.gz YROPLIHCCJWDCS-UHFFFAOYSA-N 1 1 260.337 3.143 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000344069309 285155732 /nfs/dbraw/zinc/15/57/32/285155732.db2.gz QZTVDCUWWAXVOL-GFCCVEGCSA-N 1 1 278.327 3.356 20 5 CGBDMO C[C@H](CF)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000288563120 197112496 /nfs/dbraw/zinc/11/24/96/197112496.db2.gz YZPOWSYLDFQIDS-SNVBAGLBSA-N 1 1 278.283 3.302 20 5 CGBDMO COC[C@@]1(C)CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000296567334 285322002 /nfs/dbraw/zinc/32/20/02/285322002.db2.gz CXNCCMIWCCBSDQ-DOMZBBRYSA-N 1 1 278.352 3.014 20 5 CGBDMO Cc1c([C@@H](C)[NH2+]Cc2ccc(F)cn2)cccc1[N+](=O)[O-] ZINC000362129003 392409983 /nfs/dbraw/zinc/40/99/83/392409983.db2.gz JNBGAHAKQGOVPE-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO CC(C)CC[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000158131094 392556577 /nfs/dbraw/zinc/55/65/77/392556577.db2.gz DCENVCCJHPKOGD-AWEZNQCLSA-N 1 1 294.399 3.082 20 5 CGBDMO CC(C)[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000301389480 392588772 /nfs/dbraw/zinc/58/87/72/392588772.db2.gz YFSSGPSWVAXDJI-CQSZACIVSA-N 1 1 297.786 3.025 20 5 CGBDMO CC(C)[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000301389480 392588775 /nfs/dbraw/zinc/58/87/75/392588775.db2.gz YFSSGPSWVAXDJI-CQSZACIVSA-N 1 1 297.786 3.025 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505595528 392676593 /nfs/dbraw/zinc/67/65/93/392676593.db2.gz DVFLXWMDTBCJCJ-LLVKDONJSA-N 1 1 266.316 3.498 20 5 CGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000505577681 392676756 /nfs/dbraw/zinc/67/67/56/392676756.db2.gz ZZKNJZWZJPBHSC-VXGBXAGGSA-N 1 1 295.358 3.266 20 5 CGBDMO C[C@H]1C[C@H](C)[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509671985 392766550 /nfs/dbraw/zinc/76/65/50/392766550.db2.gz SDJBZPVMYYRLLA-IUCAKERBSA-N 1 1 270.279 3.103 20 5 CGBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509671985 392766552 /nfs/dbraw/zinc/76/65/52/392766552.db2.gz SDJBZPVMYYRLLA-IUCAKERBSA-N 1 1 270.279 3.103 20 5 CGBDMO CCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000519760214 392892495 /nfs/dbraw/zinc/89/24/95/392892495.db2.gz QMKNAYVKXVMOQC-UHFFFAOYSA-N 1 1 296.367 3.103 20 5 CGBDMO C[C@@H]1CCC[N@@H+](CCNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000195667308 392973165 /nfs/dbraw/zinc/97/31/65/392973165.db2.gz YVQKWMLEBKBUJM-LLVKDONJSA-N 1 1 297.786 3.392 20 5 CGBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCC1CC1 ZINC000546936077 393083989 /nfs/dbraw/zinc/08/39/89/393083989.db2.gz PHHYNRHJNQFFQB-UHFFFAOYSA-N 1 1 278.352 3.096 20 5 CGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000466923473 393072511 /nfs/dbraw/zinc/07/25/11/393072511.db2.gz KNOSFDRECNQPJH-WCQYABFASA-N 1 1 278.352 3.224 20 5 CGBDMO COCCCC[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000419391910 393369120 /nfs/dbraw/zinc/36/91/20/393369120.db2.gz XNSWUBPDZMAUMS-UHFFFAOYSA-N 1 1 286.759 3.107 20 5 CGBDMO C[C@H]1CC[C@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000429555456 393478153 /nfs/dbraw/zinc/47/81/53/393478153.db2.gz FJZYIWYESCOEBT-STQMWFEESA-N 1 1 278.352 3.094 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000430234726 393546647 /nfs/dbraw/zinc/54/66/47/393546647.db2.gz BDAWKLUPYGNNKI-NEPJUHHUSA-N 1 1 278.352 3.224 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000430213341 393541099 /nfs/dbraw/zinc/54/10/99/393541099.db2.gz BKEGAMRHZZTVHT-RYUDHWBXSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@@H]1CSCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000488405914 393499950 /nfs/dbraw/zinc/49/99/50/393499950.db2.gz JWDKPDDNPJFDLQ-AGLBCWCQSA-N 1 1 292.404 3.293 20 5 CGBDMO C[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000357718554 393514969 /nfs/dbraw/zinc/51/49/69/393514969.db2.gz WOKAQQDXSPJMAZ-OLZOCXBDSA-N 1 1 278.352 3.094 20 5 CGBDMO CC[C@@H]1CC[N@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000430185100 393532996 /nfs/dbraw/zinc/53/29/96/393532996.db2.gz CGXIQMYXQQBTFZ-BRADTZPFSA-N 1 1 260.337 3.482 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCCC[C@@H]1C ZINC000430192389 393535038 /nfs/dbraw/zinc/53/50/38/393535038.db2.gz BSNSROTXGQFWJI-LBPRGKRZSA-N 1 1 278.352 3.368 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000430199161 393538117 /nfs/dbraw/zinc/53/81/17/393538117.db2.gz BBAMHPHKTJLJHV-CYBMUJFWSA-N 1 1 290.363 3.392 20 5 CGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430199452 393538339 /nfs/dbraw/zinc/53/83/39/393538339.db2.gz BTILUBZOXGPUKI-SMDDNHRTSA-N 1 1 278.352 3.224 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430199482 393538398 /nfs/dbraw/zinc/53/83/98/393538398.db2.gz BVIULWIKKAHHHP-ZDUSSCGKSA-N 1 1 278.352 3.368 20 5 CGBDMO COc1ccc(C[N@H+]2CC3(CCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000432797316 393641628 /nfs/dbraw/zinc/64/16/28/393641628.db2.gz DOMJMWPDNBODSU-GFCCVEGCSA-N 1 1 290.363 3.368 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c(F)c1 ZINC000449531646 393885150 /nfs/dbraw/zinc/88/51/50/393885150.db2.gz BYIYLSHUHCZUEW-GOEBONIOSA-N 1 1 290.338 3.354 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000449538111 393888208 /nfs/dbraw/zinc/88/82/08/393888208.db2.gz KEKHNAQRYXWPJI-HOCLYGCPSA-N 1 1 272.348 3.215 20 5 CGBDMO C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000501775648 393860525 /nfs/dbraw/zinc/86/05/25/393860525.db2.gz MCKOAVPCNCYPAO-OLZOCXBDSA-N 1 1 262.353 3.115 20 5 CGBDMO CO[C@@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451548538 394045681 /nfs/dbraw/zinc/04/56/81/394045681.db2.gz RXFVISOBKYTHLW-LALPHHSUSA-N 1 1 278.352 3.013 20 5 CGBDMO CCCc1ncc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453391833 394229722 /nfs/dbraw/zinc/22/97/22/394229722.db2.gz QQRBPIPBNBBOII-LLVKDONJSA-N 1 1 289.335 3.386 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000182842941 292296498 /nfs/dbraw/zinc/29/64/98/292296498.db2.gz PLCOJWHFAJPHQK-BBRMVZONSA-N 1 1 290.363 3.077 20 5 CGBDMO CCC[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089890898 165221007 /nfs/dbraw/zinc/22/10/07/165221007.db2.gz GSYRKJMQFGNPPQ-UHFFFAOYSA-N 1 1 275.308 3.092 20 5 CGBDMO COC[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119118380 287165293 /nfs/dbraw/zinc/16/52/93/287165293.db2.gz ACWAINNEYZNDSR-NSHDSACASA-N 1 1 298.770 3.107 20 5 CGBDMO CCC[C@@H](NCC(C)(C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000020126027 171009985 /nfs/dbraw/zinc/00/99/85/171009985.db2.gz IJQXQOJGCAJCIS-OAHLLOKOSA-N 1 1 293.411 3.366 20 5 CGBDMO CCCc1[nH+]ccn1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285098250 196196149 /nfs/dbraw/zinc/19/61/49/196196149.db2.gz IMJUTBOCJJRBIC-UHFFFAOYSA-N 1 1 281.262 3.070 20 5 CGBDMO CCCCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCO ZINC000126870047 287275538 /nfs/dbraw/zinc/27/55/38/287275538.db2.gz JTVRZQHTBKQTDE-VQHVLOKHSA-N 1 1 292.379 3.093 20 5 CGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C)C1 ZINC000071954210 176304388 /nfs/dbraw/zinc/30/43/88/176304388.db2.gz ANHYXAXCQSCWBR-STQMWFEESA-N 1 1 277.368 3.127 20 5 CGBDMO Cc1oncc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000129953805 287341931 /nfs/dbraw/zinc/34/19/31/287341931.db2.gz RGCXBBULMZMEBB-JTQLQIEISA-N 1 1 275.308 3.050 20 5 CGBDMO CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000045691547 270038955 /nfs/dbraw/zinc/03/89/55/270038955.db2.gz VZVOBGQBHCLZFB-KGLIPLIRSA-N 1 1 293.411 3.284 20 5 CGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000192707127 270077486 /nfs/dbraw/zinc/07/74/86/270077486.db2.gz JTIFMXRSMYGARM-UHFFFAOYSA-N 1 1 292.379 3.112 20 5 CGBDMO COc1ccc(C[N@H+]2CC[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000532780096 270219548 /nfs/dbraw/zinc/21/95/48/270219548.db2.gz SMNJJIFITOPBMQ-OLZOCXBDSA-N 1 1 292.379 3.471 20 5 CGBDMO C[C@@H]([N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000532928526 270220058 /nfs/dbraw/zinc/22/00/58/270220058.db2.gz ZEDVOOBMSZYDMD-LLVKDONJSA-N 1 1 250.342 3.461 20 5 CGBDMO CC(C)C[NH+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432336177 273513434 /nfs/dbraw/zinc/51/34/34/273513434.db2.gz ONMNPVBFELKOJB-UHFFFAOYSA-N 1 1 297.786 3.026 20 5 CGBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302781545 274335463 /nfs/dbraw/zinc/33/54/63/274335463.db2.gz RXEZGYVWBFNWAK-ZYHUDNBSSA-N 1 1 297.786 3.025 20 5 CGBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1(C(F)F)CC1 ZINC000503878963 274480112 /nfs/dbraw/zinc/48/01/12/274480112.db2.gz ZVVOBMGLYPSVAF-SNVBAGLBSA-N 1 1 284.306 3.303 20 5 CGBDMO CS[C@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000296052473 278162496 /nfs/dbraw/zinc/16/24/96/278162496.db2.gz AYZNAKCRDUBWFG-AAEUAGOBSA-N 1 1 280.393 3.402 20 5 CGBDMO C[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000339125594 278394712 /nfs/dbraw/zinc/39/47/12/278394712.db2.gz CYOKNKPXRHQHCW-CYBMUJFWSA-N 1 1 292.379 3.110 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459784871 281023475 /nfs/dbraw/zinc/02/34/75/281023475.db2.gz JNWDHZNBPWPPMM-RYUDHWBXSA-N 1 1 288.351 3.049 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531725674 288343458 /nfs/dbraw/zinc/34/34/58/288343458.db2.gz MLRJLNHKUQSGNN-HZSPNIEDSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531725674 288343460 /nfs/dbraw/zinc/34/34/60/288343460.db2.gz MLRJLNHKUQSGNN-HZSPNIEDSA-N 1 1 291.395 3.037 20 5 CGBDMO CC[N@@H+]1CCC[C@H]1CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532203398 288355544 /nfs/dbraw/zinc/35/55/44/288355544.db2.gz RWIGLZIHKDWHAL-HIFRSBDPSA-N 1 1 291.395 3.038 20 5 CGBDMO CC[N@H+]1CCC[C@H]1CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532203398 288355545 /nfs/dbraw/zinc/35/55/45/288355545.db2.gz RWIGLZIHKDWHAL-HIFRSBDPSA-N 1 1 291.395 3.038 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@H](C)C[C@@H]1C ZINC000548753977 289020990 /nfs/dbraw/zinc/02/09/90/289020990.db2.gz BDRMWLWDKCQBAZ-TXEJJXNPSA-N 1 1 278.352 3.365 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548753977 289020993 /nfs/dbraw/zinc/02/09/93/289020993.db2.gz BDRMWLWDKCQBAZ-TXEJJXNPSA-N 1 1 278.352 3.365 20 5 CGBDMO CCCCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000572305628 322330679 /nfs/dbraw/zinc/33/06/79/322330679.db2.gz VWBQTEOMXBBNQB-UHFFFAOYSA-N 1 1 250.342 3.259 20 5 CGBDMO Cc1csc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000573265588 322379550 /nfs/dbraw/zinc/37/95/50/322379550.db2.gz CYMMQZUWBVDIJV-LBPRGKRZSA-N 1 1 289.360 3.137 20 5 CGBDMO Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000161733828 524594982 /nfs/dbraw/zinc/59/49/82/524594982.db2.gz IZGCFADPYDYKDD-LBPRGKRZSA-N 1 1 271.320 3.149 20 5 CGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](F)C3)o2)cc1 ZINC000449390054 534881115 /nfs/dbraw/zinc/88/11/15/534881115.db2.gz UZTZMOFFQCRKPL-GFCCVEGCSA-N 1 1 290.294 3.399 20 5 CGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](F)C3)o2)cc1 ZINC000449390054 534881118 /nfs/dbraw/zinc/88/11/18/534881118.db2.gz UZTZMOFFQCRKPL-GFCCVEGCSA-N 1 1 290.294 3.399 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCSC2(CCC2)CC1 ZINC000411867504 534887262 /nfs/dbraw/zinc/88/72/62/534887262.db2.gz IZVXJYHRIQXGCU-UHFFFAOYSA-N 1 1 292.404 3.456 20 5 CGBDMO Cc1ncc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000040997619 527271542 /nfs/dbraw/zinc/27/15/42/527271542.db2.gz OLQRASZWDCNSLT-UHFFFAOYSA-N 1 1 297.767 3.303 20 5 CGBDMO CCC[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425403567 527854348 /nfs/dbraw/zinc/85/43/48/527854348.db2.gz UHFOOYBGUYKTRS-UHFFFAOYSA-N 1 1 287.157 3.199 20 5 CGBDMO CC1=CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000437351292 528101091 /nfs/dbraw/zinc/10/10/91/528101091.db2.gz XZSPLNPHOUYMTN-YVMONPNESA-N 1 1 258.321 3.260 20 5 CGBDMO CC[C@@H](NCC[N@H+](CC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000155868969 529164456 /nfs/dbraw/zinc/16/44/56/529164456.db2.gz XEZNBJJPXFCDOU-MRXNPFEDSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[C@@H](NCC[N@@H+](CC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000155868969 529164459 /nfs/dbraw/zinc/16/44/59/529164459.db2.gz XEZNBJJPXFCDOU-MRXNPFEDSA-N 1 1 291.395 3.120 20 5 CGBDMO CO[C@@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451539069 536693156 /nfs/dbraw/zinc/69/31/56/536693156.db2.gz DZTBLBDUYRDECM-LALPHHSUSA-N 1 1 278.352 3.013 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1nccc2ccccc21 ZINC000725848999 572441317 /nfs/dbraw/zinc/44/13/17/572441317.db2.gz PBKJVPZYZYBPDT-UHFFFAOYSA-N 1 1 293.326 3.433 20 5 CGBDMO C[C@@H]1CCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000742427921 572581659 /nfs/dbraw/zinc/58/16/59/572581659.db2.gz UFUVWPBHDGDOFE-SNVBAGLBSA-N 1 1 283.759 3.144 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cncs1 ZINC000934198687 618528477 /nfs/dbraw/zinc/52/84/77/618528477.db2.gz QSXHSKZZFNKCOV-MRVPVSSYSA-N 1 1 281.312 3.041 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000236250268 618850619 /nfs/dbraw/zinc/85/06/19/618850619.db2.gz XEYSWNNGVSUYFU-QMMMGPOBSA-N 1 1 299.733 3.036 20 5 CGBDMO CCC[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000755244199 626609580 /nfs/dbraw/zinc/60/95/80/626609580.db2.gz DTYBWWGMBQNFRJ-GOEBONIOSA-N 1 1 292.379 3.283 20 5 CGBDMO C/C=C\C[C@@H]1CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000863339129 629537073 /nfs/dbraw/zinc/53/70/73/629537073.db2.gz ANTAIPJJXGPBPL-ZRUQZJFASA-N 1 1 292.383 3.044 20 5 CGBDMO C/C=C\C[C@@H]1CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000863339129 629537082 /nfs/dbraw/zinc/53/70/82/629537082.db2.gz ANTAIPJJXGPBPL-ZRUQZJFASA-N 1 1 292.383 3.044 20 5 CGBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC(C)(C)C1 ZINC000796530611 629796664 /nfs/dbraw/zinc/79/66/64/629796664.db2.gz IGAYJXHCJGIXLN-CABCVRRESA-N 1 1 292.379 3.139 20 5 CGBDMO Cc1cc[nH+]c(N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815600651 631804384 /nfs/dbraw/zinc/80/43/84/631804384.db2.gz AADIYMSOPMPBIM-SNVBAGLBSA-N 1 1 272.308 3.054 20 5 CGBDMO CN(C[C@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1C(F)F ZINC000865883365 632940365 /nfs/dbraw/zinc/94/03/65/632940365.db2.gz CWGDGBIYIDHLCM-LLVKDONJSA-N 1 1 299.321 3.063 20 5 CGBDMO COC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825293771 633342446 /nfs/dbraw/zinc/34/24/46/633342446.db2.gz ATYABEOGWXCEBP-LBPRGKRZSA-N 1 1 298.770 3.249 20 5 CGBDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825293771 633342449 /nfs/dbraw/zinc/34/24/49/633342449.db2.gz ATYABEOGWXCEBP-LBPRGKRZSA-N 1 1 298.770 3.249 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](CF)C1 ZINC000880299786 635969289 /nfs/dbraw/zinc/96/92/89/635969289.db2.gz XSYPUCAFHBIJDC-VXGBXAGGSA-N 1 1 266.316 3.256 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1Cl ZINC000827507145 633495387 /nfs/dbraw/zinc/49/53/87/633495387.db2.gz VOYUJYUBDDKQNC-GHMZBOCLSA-N 1 1 266.728 3.090 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031457 633950248 /nfs/dbraw/zinc/95/02/48/633950248.db2.gz KKUNZXDTBXAFRL-VXGBXAGGSA-N 1 1 297.374 3.115 20 5 CGBDMO CCC(CC)C[N@@H+](CC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136934664 637411178 /nfs/dbraw/zinc/41/11/78/637411178.db2.gz YFDDWDXFJRSADJ-INIZCTEOSA-N 1 1 294.395 3.386 20 5 CGBDMO CCC[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886134087 637429853 /nfs/dbraw/zinc/42/98/53/637429853.db2.gz JVLNUTAEBZREGL-CYBMUJFWSA-N 1 1 263.341 3.144 20 5 CGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CC1(C)C ZINC000852773066 637709919 /nfs/dbraw/zinc/70/99/19/637709919.db2.gz VNORKDRTVUGYFZ-NSHDSACASA-N 1 1 266.316 3.212 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CC(CC2CC2)C1 ZINC000857066422 638448847 /nfs/dbraw/zinc/44/88/47/638448847.db2.gz JYRFHIAOZBBKOC-UHFFFAOYSA-N 1 1 280.755 3.480 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@@H](C)CC1 ZINC000932346192 639317698 /nfs/dbraw/zinc/31/76/98/639317698.db2.gz HEWCUZGDGRVOKK-QWHCGFSZSA-N 1 1 278.352 3.075 20 5 CGBDMO Cc1ccc(C[N@@H+]2CCCSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000934296534 639573664 /nfs/dbraw/zinc/57/36/64/639573664.db2.gz JPIRZVBMNQBIPQ-LBPRGKRZSA-N 1 1 280.393 3.231 20 5 CGBDMO C[N@@H+](C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C ZINC001254479234 806412926 /nfs/dbraw/zinc/41/29/26/806412926.db2.gz UGFXVNJILJDCHZ-UHFFFAOYSA-N 1 1 291.395 3.294 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001254559570 806449366 /nfs/dbraw/zinc/44/93/66/806449366.db2.gz LAMYMXXHGIXUHI-MBNYWOFBSA-N 1 1 260.337 3.010 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CCC1CC1 ZINC001254564293 806451598 /nfs/dbraw/zinc/45/15/98/806451598.db2.gz KCYWSNKHSCECHQ-LBPRGKRZSA-N 1 1 262.353 3.258 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](CC1CC1)C1CC1 ZINC001254567544 806452700 /nfs/dbraw/zinc/45/27/00/806452700.db2.gz WNLPZGYOMNMEIU-GFCCVEGCSA-N 1 1 274.364 3.400 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCCC1(F)F)C2 ZINC001254579067 806456127 /nfs/dbraw/zinc/45/61/27/806456127.db2.gz PIPHVPCOTMXCBF-OCCSQVGLSA-N 1 1 296.317 3.230 20 5 CGBDMO C[C@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254593252 806456899 /nfs/dbraw/zinc/45/68/99/806456899.db2.gz KOQWQRWTNHREJP-BLLLJJGKSA-N 1 1 274.364 3.184 20 5 CGBDMO C[N@@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001254596882 806457587 /nfs/dbraw/zinc/45/75/87/806457587.db2.gz GIMJVMJGROZKSL-INIZCTEOSA-N 1 1 274.364 3.327 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC3(CCCC3)C1)C2 ZINC001254601237 806459008 /nfs/dbraw/zinc/45/90/08/806459008.db2.gz WLWRYSSLQWHIPQ-MRXNPFEDSA-N 1 1 286.375 3.328 20 5 CGBDMO C[N@H+](Cc1cccnc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000036771207 798851265 /nfs/dbraw/zinc/85/12/65/798851265.db2.gz LIQPLPJVATUNCI-UHFFFAOYSA-N 1 1 291.738 3.275 20 5 CGBDMO C[N@@H+](Cc1cccnc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000036771207 798851268 /nfs/dbraw/zinc/85/12/68/798851268.db2.gz LIQPLPJVATUNCI-UHFFFAOYSA-N 1 1 291.738 3.275 20 5 CGBDMO Cc1cc(Cl)c(N[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001163394156 806756591 /nfs/dbraw/zinc/75/65/91/806756591.db2.gz CFYKLCHUDJDWDN-LBPRGKRZSA-N 1 1 295.770 3.063 20 5 CGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000715612849 800141176 /nfs/dbraw/zinc/14/11/76/800141176.db2.gz JUMKVUWPZNYOQR-KRWDZBQOSA-N 1 1 297.358 3.281 20 5 CGBDMO C[C@H]1[C@@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000719599501 800244728 /nfs/dbraw/zinc/24/47/28/800244728.db2.gz JQUFRNKOEHHXCB-WPRPVWTQSA-N 1 1 285.294 3.037 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCc3ccc(Cl)cc3C2)C1 ZINC001169007237 807552018 /nfs/dbraw/zinc/55/20/18/807552018.db2.gz MBTXFRCHLSZEOE-ABAIWWIYSA-N 1 1 294.782 3.144 20 5 CGBDMO CC[N@@H+](Cc1ccccc1F)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038977 807556843 /nfs/dbraw/zinc/55/68/43/807556843.db2.gz LZSPKMHZQDZTGI-TZMCWYRMSA-N 1 1 280.343 3.093 20 5 CGBDMO COc1ccccc1[C@H](C)[N@@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040228 807557200 /nfs/dbraw/zinc/55/72/00/807557200.db2.gz YYXRHIZATBCQMR-MELADBBJSA-N 1 1 292.379 3.133 20 5 CGBDMO CC[N@@H+](Cc1cccc(F)c1F)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047017 807558767 /nfs/dbraw/zinc/55/87/67/807558767.db2.gz PQQYCQWUEJEOND-AAEUAGOBSA-N 1 1 298.333 3.232 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCC[C@H]3CCCC[C@@H]32)C1 ZINC001169048222 807558939 /nfs/dbraw/zinc/55/89/39/807558939.db2.gz TWSHPMMZJYIVQW-YJNKXOJESA-N 1 1 266.385 3.086 20 5 CGBDMO CC[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169050183 807559856 /nfs/dbraw/zinc/55/98/56/807559856.db2.gz ZGDBFQPDMVWOGU-CVEARBPZSA-N 1 1 276.380 3.262 20 5 CGBDMO CC[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001169494458 807652147 /nfs/dbraw/zinc/65/21/47/807652147.db2.gz KMJUYJFWNJUGKV-KBPBESRZSA-N 1 1 292.379 3.484 20 5 CGBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001171305256 808023696 /nfs/dbraw/zinc/02/36/96/808023696.db2.gz APTKXNXCTAQANE-KXUCPTDWSA-N 1 1 284.306 3.349 20 5 CGBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001171305256 808023703 /nfs/dbraw/zinc/02/37/03/808023703.db2.gz APTKXNXCTAQANE-KXUCPTDWSA-N 1 1 284.306 3.349 20 5 CGBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)CC(C)C)c1F ZINC001173182589 808533180 /nfs/dbraw/zinc/53/31/80/808533180.db2.gz HQEFKIBNZOGKOV-LLVKDONJSA-N 1 1 298.358 3.261 20 5 CGBDMO CC[C@H](C)[N@@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222769 808539953 /nfs/dbraw/zinc/53/99/53/808539953.db2.gz VMLAFGQCNNBQSI-NWDGAFQWSA-N 1 1 250.342 3.256 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](F)CC1 ZINC001173229396 808543687 /nfs/dbraw/zinc/54/36/87/808543687.db2.gz UEGFEJBNKVNYBA-JSGCOSHPSA-N 1 1 280.343 3.350 20 5 CGBDMO CO[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC001173237735 808546361 /nfs/dbraw/zinc/54/63/61/808546361.db2.gz LSEIUIGXFBJRRD-HEHGZKQESA-N 1 1 292.379 3.025 20 5 CGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CC1(C)C ZINC001174908027 809196438 /nfs/dbraw/zinc/19/64/38/809196438.db2.gz WMJFRZIDYKOXLU-LLVKDONJSA-N 1 1 266.316 3.212 20 5 CGBDMO C[N@H+]1CCC=C(Nc2cc3cccnc3c3ncccc23)C1 ZINC001175578143 809460198 /nfs/dbraw/zinc/46/01/98/809460198.db2.gz DHQLSTVMUWIRII-UHFFFAOYSA-N 1 1 290.370 3.414 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CCC1CC1 ZINC001179924440 809958793 /nfs/dbraw/zinc/95/87/93/809958793.db2.gz GRSRTIHRKBAEMA-UHFFFAOYSA-N 1 1 262.353 3.444 20 5 CGBDMO Cc1ccc(Nc2cc[nH+]cc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001214165556 815375468 /nfs/dbraw/zinc/37/54/68/815375468.db2.gz XNFCGONOTHKHHL-UHFFFAOYSA-N 1 1 297.236 3.483 20 5 CGBDMO CC[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC001193607429 810918408 /nfs/dbraw/zinc/91/84/08/810918408.db2.gz UCQRQZQNOCFLQL-ONGXEEELSA-N 1 1 254.355 3.277 20 5 CGBDMO C[NH+](C)Cc1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC001210395016 814442767 /nfs/dbraw/zinc/44/27/67/814442767.db2.gz NAOUUZQCQKYEOU-UHFFFAOYSA-N 1 1 287.319 3.106 20 5 CGBDMO Cc1cc[nH+]c(C)c1Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001211190169 814843461 /nfs/dbraw/zinc/84/34/61/814843461.db2.gz ONXZPISSFZQSCG-UHFFFAOYSA-N 1 1 261.256 3.489 20 5 CGBDMO Cc1[nH+]c2ccccn2c1Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001211190341 814843678 /nfs/dbraw/zinc/84/36/78/814843678.db2.gz SAOLPXKNNOZXNR-UHFFFAOYSA-N 1 1 286.266 3.434 20 5 CGBDMO C[C@H](OC[C@@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC001224707223 816859713 /nfs/dbraw/zinc/85/97/13/816859713.db2.gz PBRXVLKEYDGAOL-STQMWFEESA-N 1 1 278.352 3.157 20 5 CGBDMO C[N@H+]1CCC[C@H](Oc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC001225786908 817178175 /nfs/dbraw/zinc/17/81/75/817178175.db2.gz ZMAUGUNLNVRCFJ-JTQLQIEISA-N 1 1 284.743 3.111 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001228570366 817940073 /nfs/dbraw/zinc/94/00/73/817940073.db2.gz CFGMKUANBDQPNX-AGGWBTHJSA-N 1 1 290.363 3.216 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1CCC[N@H+](C)CC1 ZINC001228571741 817941489 /nfs/dbraw/zinc/94/14/89/817941489.db2.gz SFQKRKHPMQXSSH-CQSZACIVSA-N 1 1 278.352 3.075 20 5 CGBDMO CC(C)[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001228758843 818000816 /nfs/dbraw/zinc/00/08/16/818000816.db2.gz MZHFSPPUHLTDPE-NSHDSACASA-N 1 1 284.743 3.110 20 5 CGBDMO CC[N@H+]1CC[C@H](Oc2ccnc3c2ccc2cccnc23)C1 ZINC001234087096 818776323 /nfs/dbraw/zinc/77/63/23/818776323.db2.gz MBZOXOJGMVNEJU-AWEZNQCLSA-N 1 1 293.370 3.256 20 5 CGBDMO CC[C@@H](C)[C@H](C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])OC ZINC001308588080 928533674 /nfs/dbraw/zinc/53/36/74/928533674.db2.gz ZSCHPNHUSJCDTI-DOMZBBRYSA-N 1 1 280.368 3.088 20 5 CGBDMO Cc1ccc(N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001458125607 937452116 /nfs/dbraw/zinc/45/21/16/937452116.db2.gz FDIUELLTGNHPHH-KGLIPLIRSA-N 1 1 291.395 3.436 20 5 CGBDMO C[N@H+]1CCC[C@@H](Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001229378134 932142662 /nfs/dbraw/zinc/14/26/62/932142662.db2.gz SBFYLDONLCPYBM-LLVKDONJSA-N 1 1 284.743 3.111 20 5 CGBDMO Cc1cc(O[C@@H]2CCC[N@H+](C)CC2)cc(C)c1[N+](=O)[O-] ZINC001229466937 932156276 /nfs/dbraw/zinc/15/62/76/932156276.db2.gz ZFKHVPRSZDGLBA-CYBMUJFWSA-N 1 1 278.352 3.075 20 5 CGBDMO CC[N@H+]1CCC[C@@H](Oc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230914271 932641947 /nfs/dbraw/zinc/64/19/47/932641947.db2.gz GOVCYPVERFDPDT-SNVBAGLBSA-N 1 1 284.743 3.111 20 5 CGBDMO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC001324503435 934517315 /nfs/dbraw/zinc/51/73/15/934517315.db2.gz TZSHMFIHYROUDD-UHFFFAOYSA-N 1 1 276.340 3.092 20 5 CGBDMO Cc1ccc(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001559069015 938219779 /nfs/dbraw/zinc/21/97/79/938219779.db2.gz XGVGGQGKWYQFGV-ZIAGYGMSSA-N 1 1 291.395 3.436 20 5 CGBDMO CC[C@H](F)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000440793741 529436494 /nfs/dbraw/zinc/43/64/94/529436494.db2.gz XJTBRRREFXCZKA-LBPRGKRZSA-N 1 1 266.316 3.307 20 5 CGBDMO CC[C@H](F)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000440793741 529436495 /nfs/dbraw/zinc/43/64/95/529436495.db2.gz XJTBRRREFXCZKA-LBPRGKRZSA-N 1 1 266.316 3.307 20 5 CGBDMO CC[C@@H](F)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000440794374 529550402 /nfs/dbraw/zinc/55/04/02/529550402.db2.gz YYZLZELYHXFNPZ-GFCCVEGCSA-N 1 1 266.316 3.307 20 5 CGBDMO CC[C@@H](F)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000440794374 529550405 /nfs/dbraw/zinc/55/04/05/529550405.db2.gz YYZLZELYHXFNPZ-GFCCVEGCSA-N 1 1 266.316 3.307 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051686798 345092189 /nfs/dbraw/zinc/09/21/89/345092189.db2.gz DTXYRDCRNNDBCM-GFCCVEGCSA-N 1 1 266.341 3.094 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000054152541 345129495 /nfs/dbraw/zinc/12/94/95/345129495.db2.gz SPPXJZJSINGXRA-NSHDSACASA-N 1 1 254.355 3.421 20 5 CGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000075023028 345490475 /nfs/dbraw/zinc/49/04/75/345490475.db2.gz OSOMXKVNQGWCBL-WDEREUQCSA-N 1 1 266.316 3.354 20 5 CGBDMO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000078679844 345618848 /nfs/dbraw/zinc/61/88/48/345618848.db2.gz ADNYLGWWUAQZQD-VIFPVBQESA-N 1 1 275.308 3.050 20 5 CGBDMO Cc1ccc(C[N@@H+]2CCC[C@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000593655907 347101289 /nfs/dbraw/zinc/10/12/89/347101289.db2.gz FQVKBOWMDRDTJI-HNNXBMFYSA-N 1 1 292.379 3.293 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593694884 347104918 /nfs/dbraw/zinc/10/49/18/347104918.db2.gz DMRFRMUKAULDJI-LYKUJDHUSA-N 1 1 294.301 3.339 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)s1 ZINC000594604081 347201122 /nfs/dbraw/zinc/20/11/22/347201122.db2.gz YAOWESYNNZXEAH-WDEREUQCSA-N 1 1 281.381 3.085 20 5 CGBDMO CO[C@H](C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000595291020 347287226 /nfs/dbraw/zinc/28/72/26/347287226.db2.gz VVNWZGYGKCRXDY-MRXNPFEDSA-N 1 1 292.379 3.232 20 5 CGBDMO CC(C)[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCS1 ZINC000595329811 347292669 /nfs/dbraw/zinc/29/26/69/347292669.db2.gz CHENWXVDNUVVNV-AWEZNQCLSA-N 1 1 298.383 3.307 20 5 CGBDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCS1 ZINC000595329811 347292673 /nfs/dbraw/zinc/29/26/73/347292673.db2.gz CHENWXVDNUVVNV-AWEZNQCLSA-N 1 1 298.383 3.307 20 5 CGBDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595346447 347294465 /nfs/dbraw/zinc/29/44/65/347294465.db2.gz WIPZPUFERJETAF-AWEZNQCLSA-N 1 1 266.316 3.356 20 5 CGBDMO C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000595414742 347300361 /nfs/dbraw/zinc/30/03/61/347300361.db2.gz LMQVNCNVWZQUOP-JTQLQIEISA-N 1 1 287.319 3.311 20 5 CGBDMO CC[C@@H](C)[N@@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595601689 347324224 /nfs/dbraw/zinc/32/42/24/347324224.db2.gz UAUSQWVHANFAOJ-GFCCVEGCSA-N 1 1 293.367 3.044 20 5 CGBDMO CC[C@H](C)[N@@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595601690 347324364 /nfs/dbraw/zinc/32/43/64/347324364.db2.gz UAUSQWVHANFAOJ-LBPRGKRZSA-N 1 1 293.367 3.044 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595688501 347337479 /nfs/dbraw/zinc/33/74/79/347337479.db2.gz IKQPCTODCITCEQ-WQVCFCJDSA-N 1 1 290.363 3.014 20 5 CGBDMO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H]1CCCC[C@@H]1C ZINC000595453594 347306167 /nfs/dbraw/zinc/30/61/67/347306167.db2.gz QGMINPRBUIPNDT-JQWIXIFHSA-N 1 1 281.356 3.292 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000595565606 347320500 /nfs/dbraw/zinc/32/05/00/347320500.db2.gz HNUXILWIVVHHDR-ZFWWWQNUSA-N 1 1 260.337 3.012 20 5 CGBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CC1(C)C ZINC000595913837 347372830 /nfs/dbraw/zinc/37/28/30/347372830.db2.gz VPDJNKPKOWPQJM-SNVBAGLBSA-N 1 1 289.335 3.214 20 5 CGBDMO Cc1cc(N[C@@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000596335107 347421769 /nfs/dbraw/zinc/42/17/69/347421769.db2.gz DXONRAXDWDAEOQ-SNVBAGLBSA-N 1 1 283.397 3.249 20 5 CGBDMO CC[C@@H](NCC[C@@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000596654003 347499290 /nfs/dbraw/zinc/49/92/90/347499290.db2.gz NGQGGWCDZFJYCT-HUUCEWRRSA-N 1 1 279.384 3.009 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H]3CCC[C@H]32)c(F)c1 ZINC000351837526 219220707 /nfs/dbraw/zinc/22/07/07/219220707.db2.gz VGYJGQQBHOUNIR-LKFCYVNXSA-N 1 1 282.290 3.247 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H]3CCC[C@H]32)c(F)c1 ZINC000351837526 219220708 /nfs/dbraw/zinc/22/07/08/219220708.db2.gz VGYJGQQBHOUNIR-LKFCYVNXSA-N 1 1 282.290 3.247 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599646551 347761657 /nfs/dbraw/zinc/76/16/57/347761657.db2.gz LHWNEIRYVDQTKT-GFCCVEGCSA-N 1 1 298.342 3.420 20 5 CGBDMO C[C@]12CCCC[C@H]1C[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000599674295 347764076 /nfs/dbraw/zinc/76/40/76/347764076.db2.gz AZPGFQOXZWCVCW-HOCLYGCPSA-N 1 1 274.364 3.402 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599646551 347761656 /nfs/dbraw/zinc/76/16/56/347761656.db2.gz LHWNEIRYVDQTKT-GFCCVEGCSA-N 1 1 298.342 3.420 20 5 CGBDMO Cc1cn(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)[nH+]1 ZINC000601080984 347865271 /nfs/dbraw/zinc/86/52/71/347865271.db2.gz WQDVIWCSXIATLB-UHFFFAOYSA-N 1 1 299.252 3.475 20 5 CGBDMO C[C@H]([N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F)C1(C)CC1 ZINC000351889191 219240057 /nfs/dbraw/zinc/24/00/57/219240057.db2.gz KGBFHNDBZVTFSR-VIFPVBQESA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@H]([N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F)C1(C)CC1 ZINC000351889191 219240060 /nfs/dbraw/zinc/24/00/60/219240060.db2.gz KGBFHNDBZVTFSR-VIFPVBQESA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(F)F ZINC000603427105 348082007 /nfs/dbraw/zinc/08/20/07/348082007.db2.gz ASJFTYJAMBXXIV-VHSXEESVSA-N 1 1 272.295 3.159 20 5 CGBDMO C[N@@H+](CCC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000609578049 348348125 /nfs/dbraw/zinc/34/81/25/348348125.db2.gz WZDMSBANANZCLU-UHFFFAOYSA-N 1 1 250.342 3.463 20 5 CGBDMO CC[C@@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000609040588 348335508 /nfs/dbraw/zinc/33/55/08/348335508.db2.gz ADZOMULKFOKKET-CYBMUJFWSA-N 1 1 278.352 3.238 20 5 CGBDMO CC(C)[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000609767083 348351975 /nfs/dbraw/zinc/35/19/75/348351975.db2.gz MGEMURZLUCVFNR-CQSZACIVSA-N 1 1 292.379 3.484 20 5 CGBDMO CC(C)(C)[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000609195374 348339726 /nfs/dbraw/zinc/33/97/26/348339726.db2.gz CJWHGEDHDTWZIU-OAHLLOKOSA-N 1 1 292.379 3.484 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000609540000 348346275 /nfs/dbraw/zinc/34/62/75/348346275.db2.gz NTHGHCGVAMPEAE-NSHDSACASA-N 1 1 290.294 3.316 20 5 CGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@H]4CCC[C@@H]43)co2)cc1 ZINC000611171716 348426457 /nfs/dbraw/zinc/42/64/57/348426457.db2.gz QIMRUNIBZOGXIF-DOMZBBRYSA-N 1 1 299.330 3.234 20 5 CGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@H]4CCC[C@@H]43)co2)cc1 ZINC000611171716 348426460 /nfs/dbraw/zinc/42/64/60/348426460.db2.gz QIMRUNIBZOGXIF-DOMZBBRYSA-N 1 1 299.330 3.234 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611179627 348426733 /nfs/dbraw/zinc/42/67/33/348426733.db2.gz GKKBFCQZVXDKGX-VIFPVBQESA-N 1 1 290.697 3.335 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000611179627 348426739 /nfs/dbraw/zinc/42/67/39/348426739.db2.gz GKKBFCQZVXDKGX-VIFPVBQESA-N 1 1 290.697 3.335 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180847 348427130 /nfs/dbraw/zinc/42/71/30/348427130.db2.gz XQITYSIGRGKUMG-JTQLQIEISA-N 1 1 282.290 3.387 20 5 CGBDMO COc1cc(C[N@@H+](CC(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000351970717 219270481 /nfs/dbraw/zinc/27/04/81/219270481.db2.gz HYYYQELYZBYBMN-UHFFFAOYSA-N 1 1 280.368 3.470 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC12CCOCC2 ZINC000618318288 349068754 /nfs/dbraw/zinc/06/87/54/349068754.db2.gz OEPVNZUOKZUIIR-UHFFFAOYSA-N 1 1 296.754 3.003 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC12CCOCC2 ZINC000618318288 349068757 /nfs/dbraw/zinc/06/87/57/349068757.db2.gz OEPVNZUOKZUIIR-UHFFFAOYSA-N 1 1 296.754 3.003 20 5 CGBDMO C[C@H](c1ccncc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000619785560 349285061 /nfs/dbraw/zinc/28/50/61/349285061.db2.gz NIZWZERPYAFEFJ-CYBMUJFWSA-N 1 1 285.347 3.225 20 5 CGBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C[N@H+]1C1CC1 ZINC000122263512 187023254 /nfs/dbraw/zinc/02/32/54/187023254.db2.gz IYFAUUMZQMYZDX-VHSXEESVSA-N 1 1 295.770 3.285 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3CCC2CC3)cc1F ZINC000366997604 234195258 /nfs/dbraw/zinc/19/52/58/234195258.db2.gz SLWQRXJLYICBIR-UHFFFAOYSA-N 1 1 264.300 3.108 20 5 CGBDMO Cn1cccc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154298510 188134460 /nfs/dbraw/zinc/13/44/60/188134460.db2.gz GTASXFXZRJNYLD-UHFFFAOYSA-N 1 1 285.347 3.098 20 5 CGBDMO Cn1cccc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154298510 188134461 /nfs/dbraw/zinc/13/44/61/188134461.db2.gz GTASXFXZRJNYLD-UHFFFAOYSA-N 1 1 285.347 3.098 20 5 CGBDMO CCC[N@@H+](CC)CCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000313074880 535300953 /nfs/dbraw/zinc/30/09/53/535300953.db2.gz KPYRQKQECDFOOZ-UHFFFAOYSA-N 1 1 283.347 3.186 20 5 CGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCSC1 ZINC000182365821 189321978 /nfs/dbraw/zinc/32/19/78/189321978.db2.gz FYMIRAVDPSIBRJ-LLVKDONJSA-N 1 1 286.784 3.186 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCSC1 ZINC000182365821 189321979 /nfs/dbraw/zinc/32/19/79/189321979.db2.gz FYMIRAVDPSIBRJ-LLVKDONJSA-N 1 1 286.784 3.186 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000183717859 189366431 /nfs/dbraw/zinc/36/64/31/189366431.db2.gz XWXJHWUBAHUNNZ-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO CC(C)[N@H+]1CCC[C@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000301986636 201288888 /nfs/dbraw/zinc/28/88/88/201288888.db2.gz KHMHXCACKHBUOT-LLVKDONJSA-N 1 1 283.397 3.189 20 5 CGBDMO C[C@@H]1Cc2[nH+]cn(Cc3csc([N+](=O)[O-])c3)c2C[C@@H]1C ZINC000451005011 240188722 /nfs/dbraw/zinc/18/87/22/240188722.db2.gz XNXZWFDBCVMHEZ-ZJUUUORDSA-N 1 1 291.376 3.272 20 5 CGBDMO CCOCCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553251 240325466 /nfs/dbraw/zinc/32/54/66/240325466.db2.gz XYZIGVHFZBQEBL-HNNXBMFYSA-N 1 1 292.379 3.201 20 5 CGBDMO C[C@H]1CCCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000481587639 243199620 /nfs/dbraw/zinc/19/96/20/243199620.db2.gz LVPWMSUADOUEEJ-ZDUSSCGKSA-N 1 1 278.352 3.096 20 5 CGBDMO COc1ccc(C[N@H+]2C[C@@H](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000330619503 203046989 /nfs/dbraw/zinc/04/69/89/203046989.db2.gz ZCOCPMKVJOPRLG-NSHDSACASA-N 1 1 278.352 3.224 20 5 CGBDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000057622876 369543611 /nfs/dbraw/zinc/54/36/11/369543611.db2.gz AGGZIHANKGPALE-INIZCTEOSA-N 1 1 285.347 3.270 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccsc2)cs1 ZINC000060390864 369586923 /nfs/dbraw/zinc/58/69/23/369586923.db2.gz KPFIDEROTUVLLY-UHFFFAOYSA-N 1 1 254.336 3.008 20 5 CGBDMO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000078003990 369950632 /nfs/dbraw/zinc/95/06/32/369950632.db2.gz GSGQYMXYOCMBNE-GFCCVEGCSA-N 1 1 277.349 3.292 20 5 CGBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CC=CCC1 ZINC000507119581 244808972 /nfs/dbraw/zinc/80/89/72/244808972.db2.gz YKWBJWKNHSBULW-CYBMUJFWSA-N 1 1 260.337 3.383 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cnccn2)cc1[N+](=O)[O-] ZINC000090217538 370059203 /nfs/dbraw/zinc/05/92/03/370059203.db2.gz UFOGRBZFRWXPIT-VXGBXAGGSA-N 1 1 286.335 3.105 20 5 CGBDMO CSC[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093760772 370155258 /nfs/dbraw/zinc/15/52/58/370155258.db2.gz RPXWLXADMUMERW-GBXSZLQWSA-N 1 1 292.404 3.435 20 5 CGBDMO Cc1cncc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000131085866 371081538 /nfs/dbraw/zinc/08/15/38/371081538.db2.gz MKTDZZYPPDIWJZ-GFCCVEGCSA-N 1 1 271.320 3.149 20 5 CGBDMO CS[C@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000134583599 371351377 /nfs/dbraw/zinc/35/13/77/371351377.db2.gz NHAJJOAHDTVSIC-AWEZNQCLSA-N 1 1 280.393 3.312 20 5 CGBDMO Cc1[nH+]ccn1CCCCNc1c(F)cccc1[N+](=O)[O-] ZINC000287472316 371660507 /nfs/dbraw/zinc/66/05/07/371660507.db2.gz WXZZCODNPQHRHI-UHFFFAOYSA-N 1 1 292.314 3.131 20 5 CGBDMO Cc1cc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nn1C ZINC000337363280 214031452 /nfs/dbraw/zinc/03/14/52/214031452.db2.gz AFPXKWXHAJWXPK-RYUDHWBXSA-N 1 1 288.351 3.049 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000344069310 217037049 /nfs/dbraw/zinc/03/70/49/217037049.db2.gz QZTVDCUWWAXVOL-LBPRGKRZSA-N 1 1 278.327 3.356 20 5 CGBDMO CC[N@@H+](C[C@@H](C)OC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000291329212 372161095 /nfs/dbraw/zinc/16/10/95/372161095.db2.gz VPEPLJWRIRLBQT-NEPJUHHUSA-N 1 1 266.341 3.013 20 5 CGBDMO Cc1ccc(C[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000160852388 372281165 /nfs/dbraw/zinc/28/11/65/372281165.db2.gz ZKBISWGQIIFVOV-UHFFFAOYSA-N 1 1 274.320 3.437 20 5 CGBDMO Cc1ccc(C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000160852388 372281168 /nfs/dbraw/zinc/28/11/68/372281168.db2.gz ZKBISWGQIIFVOV-UHFFFAOYSA-N 1 1 274.320 3.437 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433796714 372634077 /nfs/dbraw/zinc/63/40/77/372634077.db2.gz PLIMJIXJPJJSFU-HNNXBMFYSA-N 1 1 289.379 3.332 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295497932 372803942 /nfs/dbraw/zinc/80/39/42/372803942.db2.gz NQSMOQXOGZBUPW-OLZOCXBDSA-N 1 1 292.379 3.139 20 5 CGBDMO CC(C)[N@@H+](CCOCC1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000172761319 373028980 /nfs/dbraw/zinc/02/89/80/373028980.db2.gz BYRXGDXNTUHGGT-UHFFFAOYSA-N 1 1 292.379 3.232 20 5 CGBDMO Cc1c(C[N@H+]2CCCC23CCC3)cccc1[N+](=O)[O-] ZINC000444783433 373273746 /nfs/dbraw/zinc/27/37/46/373273746.db2.gz KXHLZWPNLJBJLC-UHFFFAOYSA-N 1 1 260.337 3.422 20 5 CGBDMO CC(C)[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000446724436 373347176 /nfs/dbraw/zinc/34/71/76/373347176.db2.gz DBXYOPGBJYHEAO-AWEZNQCLSA-N 1 1 292.379 3.342 20 5 CGBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000446894566 373378867 /nfs/dbraw/zinc/37/88/67/373378867.db2.gz NZZGIXYFFRPWBP-MRXNPFEDSA-N 1 1 292.379 3.030 20 5 CGBDMO CCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000449499829 373796242 /nfs/dbraw/zinc/79/62/42/373796242.db2.gz MIBDFRYRCIWOFG-XJKSGUPXSA-N 1 1 292.379 3.150 20 5 CGBDMO CC[N@H+]1CCC[C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000302773296 373957739 /nfs/dbraw/zinc/95/77/39/373957739.db2.gz NTOVLLQFCXBRPO-LLVKDONJSA-N 1 1 297.786 3.392 20 5 CGBDMO COC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000449778421 373907279 /nfs/dbraw/zinc/90/72/79/373907279.db2.gz SFUYSBHSYPQWAW-CQSZACIVSA-N 1 1 292.379 3.152 20 5 CGBDMO C[C@@H](c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451896517 374211633 /nfs/dbraw/zinc/21/16/33/374211633.db2.gz GNQXACFBOOHHNI-XJKSGUPXSA-N 1 1 290.363 3.158 20 5 CGBDMO CC(C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311683515 374253772 /nfs/dbraw/zinc/25/37/72/374253772.db2.gz JMVSKEPTBVJPQN-NSHDSACASA-N 1 1 266.316 3.212 20 5 CGBDMO CC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311879754 374258978 /nfs/dbraw/zinc/25/89/78/374258978.db2.gz MUVWHUXCSQEQST-NSHDSACASA-N 1 1 266.316 3.356 20 5 CGBDMO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000182431151 374272974 /nfs/dbraw/zinc/27/29/74/374272974.db2.gz DQWGNZUYONOBNH-CYBMUJFWSA-N 1 1 289.335 3.441 20 5 CGBDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182211309 374236122 /nfs/dbraw/zinc/23/61/22/374236122.db2.gz KZTXJQZANZBRLI-LLVKDONJSA-N 1 1 298.770 3.107 20 5 CGBDMO CC[C@H](N[C@@H](C)C[N@@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000314870262 374323627 /nfs/dbraw/zinc/32/36/27/374323627.db2.gz FUSARQDZHLZTDV-BBRMVZONSA-N 1 1 293.411 3.364 20 5 CGBDMO CC[C@H]([NH2+][C@@H](C)CN(C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000314870262 374323633 /nfs/dbraw/zinc/32/36/33/374323633.db2.gz FUSARQDZHLZTDV-BBRMVZONSA-N 1 1 293.411 3.364 20 5 CGBDMO CC[C@H](N[C@H](C)C[N@@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000314870271 374323708 /nfs/dbraw/zinc/32/37/08/374323708.db2.gz FUSARQDZHLZTDV-CJNGLKHVSA-N 1 1 293.411 3.364 20 5 CGBDMO CC[C@H]([NH2+][C@H](C)CN(C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000314870271 374323711 /nfs/dbraw/zinc/32/37/11/374323711.db2.gz FUSARQDZHLZTDV-CJNGLKHVSA-N 1 1 293.411 3.364 20 5 CGBDMO CO[C@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330973293 374492885 /nfs/dbraw/zinc/49/28/85/374492885.db2.gz GVABYGDOJRPVMF-CQSZACIVSA-N 1 1 298.770 3.249 20 5 CGBDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330973293 374492889 /nfs/dbraw/zinc/49/28/89/374492889.db2.gz GVABYGDOJRPVMF-CQSZACIVSA-N 1 1 298.770 3.249 20 5 CGBDMO CCOc1cc(C[N@H+]2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000331171665 374510782 /nfs/dbraw/zinc/51/07/82/374510782.db2.gz OFJBQIMTAOEWDG-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO CC1(C)CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000464793835 374901206 /nfs/dbraw/zinc/90/12/06/374901206.db2.gz KYCASVFEWFPEBW-UHFFFAOYSA-N 1 1 278.352 3.096 20 5 CGBDMO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1C ZINC000487977026 375289962 /nfs/dbraw/zinc/28/99/62/375289962.db2.gz FMFLQOKXPCRBSX-XJKSGUPXSA-N 1 1 292.379 3.232 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[C@@H](C)O1 ZINC000190428560 375508859 /nfs/dbraw/zinc/50/88/59/375508859.db2.gz YYTLDUSHHVAZLI-CZUORRHYSA-N 1 1 292.379 3.373 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000520710226 375871250 /nfs/dbraw/zinc/87/12/50/375871250.db2.gz WHWRMASAMWPDGC-UHFFFAOYSA-N 1 1 295.342 3.279 20 5 CGBDMO CC[C@H](C)[N@@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000336842578 376005425 /nfs/dbraw/zinc/00/54/25/376005425.db2.gz UZGOFQSYAVMXDT-NSHDSACASA-N 1 1 283.347 3.185 20 5 CGBDMO CC(C)[N@@H+](C)CCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000225586521 376316147 /nfs/dbraw/zinc/31/61/47/376316147.db2.gz WEVWMFHLTXPENO-UHFFFAOYSA-N 1 1 299.802 3.068 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH2+]C2(c3ccccc3)CC2)cs1 ZINC000263974293 190087078 /nfs/dbraw/zinc/08/70/78/190087078.db2.gz CMMKABFSJSBLFS-UHFFFAOYSA-N 1 1 274.345 3.435 20 5 CGBDMO C[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000231675597 376564529 /nfs/dbraw/zinc/56/45/29/376564529.db2.gz IOKMLEXROGSYRB-VIFPVBQESA-N 1 1 283.759 3.143 20 5 CGBDMO CCc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)nc1 ZINC000339175061 376725125 /nfs/dbraw/zinc/72/51/25/376725125.db2.gz XROBOYHRZLLYDT-UHFFFAOYSA-N 1 1 299.374 3.227 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000544786873 376762597 /nfs/dbraw/zinc/76/25/97/376762597.db2.gz UZLRRQZGUGGYFI-LBPRGKRZSA-N 1 1 262.353 3.463 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000544786872 376763518 /nfs/dbraw/zinc/76/35/18/376763518.db2.gz UZLRRQZGUGGYFI-GFCCVEGCSA-N 1 1 262.353 3.463 20 5 CGBDMO COC[C@@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245528599 376843264 /nfs/dbraw/zinc/84/32/64/376843264.db2.gz QTRDQGINDSZHNE-ZIAGYGMSSA-N 1 1 292.379 3.323 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CC=CCC1 ZINC000516551545 249236408 /nfs/dbraw/zinc/23/64/08/249236408.db2.gz YLJOPGBGIBQJIW-OAHLLOKOSA-N 1 1 274.364 3.425 20 5 CGBDMO C[C@H](CNc1ccc(F)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000252092227 377612870 /nfs/dbraw/zinc/61/28/70/377612870.db2.gz DVIPWDFHXAVLCO-NWDGAFQWSA-N 1 1 295.358 3.266 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000272477217 378646126 /nfs/dbraw/zinc/64/61/26/378646126.db2.gz GEPBXJSBOUODIY-IVMMDQJWSA-N 1 1 292.379 3.139 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1(C)CCC1 ZINC000348666936 379013168 /nfs/dbraw/zinc/01/31/68/379013168.db2.gz CHBAMCHFWKPXNL-UHFFFAOYSA-N 1 1 262.353 3.259 20 5 CGBDMO Cc1ccc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000280621026 379748535 /nfs/dbraw/zinc/74/85/35/379748535.db2.gz ZUAIVHHKXOYURI-ZFWWWQNUSA-N 1 1 292.379 3.029 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCOCC2(CC2)C1 ZINC000408174908 379996482 /nfs/dbraw/zinc/99/64/82/379996482.db2.gz ODNFIPQSOLQXPX-CYBMUJFWSA-N 1 1 290.363 3.077 20 5 CGBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000353963582 380255562 /nfs/dbraw/zinc/25/55/62/380255562.db2.gz XTOHCYNZSUJXDT-HOCLYGCPSA-N 1 1 292.379 3.230 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H]1CF ZINC000354519224 380466878 /nfs/dbraw/zinc/46/68/78/380466878.db2.gz DPVZUVIVWOPDOT-ACVFHECNSA-N 1 1 264.300 3.042 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H]1CF ZINC000354519224 380466880 /nfs/dbraw/zinc/46/68/80/380466880.db2.gz DPVZUVIVWOPDOT-ACVFHECNSA-N 1 1 264.300 3.042 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+](CCO)CC2CCCCC2)cs1 ZINC000362528203 382040812 /nfs/dbraw/zinc/04/08/12/382040812.db2.gz KHCOVGLFASALJF-UHFFFAOYSA-N 1 1 298.408 3.031 20 5 CGBDMO CC[N@@H+](C[C@@H](C)OC)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000291264364 285016556 /nfs/dbraw/zinc/01/65/56/285016556.db2.gz PASQQGWUEJAHRJ-VXGBXAGGSA-N 1 1 266.341 3.013 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCOc3ccccc32)cs1 ZINC000037562969 285086495 /nfs/dbraw/zinc/08/64/95/285086495.db2.gz XOHZVOXWZDDFPP-LBPRGKRZSA-N 1 1 290.344 3.270 20 5 CGBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000281199580 195145514 /nfs/dbraw/zinc/14/55/14/195145514.db2.gz JAALWUYOFUYTHS-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000281199580 195145516 /nfs/dbraw/zinc/14/55/16/195145516.db2.gz JAALWUYOFUYTHS-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000048336927 391996615 /nfs/dbraw/zinc/99/66/15/391996615.db2.gz CNYJXGKZGJCLMR-CHWSQXEVSA-N 1 1 295.770 3.287 20 5 CGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C1CC1)C1CC1 ZINC000050965692 392066665 /nfs/dbraw/zinc/06/66/65/392066665.db2.gz KHNSJMDQLBWYPZ-UHFFFAOYSA-N 1 1 290.363 3.094 20 5 CGBDMO Cc1occc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000055052976 392095409 /nfs/dbraw/zinc/09/54/09/392095409.db2.gz CHZLDFZQMGIRQI-UHFFFAOYSA-N 1 1 260.293 3.128 20 5 CGBDMO Cc1occc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000055052976 392095415 /nfs/dbraw/zinc/09/54/15/392095415.db2.gz CHZLDFZQMGIRQI-UHFFFAOYSA-N 1 1 260.293 3.128 20 5 CGBDMO CO[C@]1(C)CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000348246878 393117345 /nfs/dbraw/zinc/11/73/45/393117345.db2.gz VBGPMIASBLBPEQ-CQSZACIVSA-N 1 1 298.770 3.249 20 5 CGBDMO CO[C@]1(C)CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000348246878 393117354 /nfs/dbraw/zinc/11/73/54/393117354.db2.gz VBGPMIASBLBPEQ-CQSZACIVSA-N 1 1 298.770 3.249 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC1CC1 ZINC000470174110 393230137 /nfs/dbraw/zinc/23/01/37/393230137.db2.gz QMKLEUPBQJKNEX-WQLSENKSSA-N 1 1 260.337 3.340 20 5 CGBDMO CCOCC[N@@H+](CC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470183553 393231308 /nfs/dbraw/zinc/23/13/08/393231308.db2.gz OEOAUGDJHYGRRW-KAMYIIQDSA-N 1 1 292.379 3.357 20 5 CGBDMO CC(C)c1[nH+]ccn1Cc1csc([N+](=O)[O-])c1 ZINC000355435800 393321348 /nfs/dbraw/zinc/32/13/48/393321348.db2.gz VCRSOHPVBXGLCQ-UHFFFAOYSA-N 1 1 251.311 3.025 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000430215385 393540522 /nfs/dbraw/zinc/54/05/22/393540522.db2.gz GPMWPLHJHZNEIT-DOMZBBRYSA-N 1 1 290.363 3.368 20 5 CGBDMO COc1ccc(C[N@@H+]2CC(C)=C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000430283062 393557456 /nfs/dbraw/zinc/55/74/56/393557456.db2.gz HZKZXYPWLGBQTE-NSHDSACASA-N 1 1 276.336 3.001 20 5 CGBDMO Cc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000734003489 572622914 /nfs/dbraw/zinc/62/29/14/572622914.db2.gz IQHVYIPASVQNEV-UHFFFAOYSA-N 1 1 260.293 3.094 20 5 CGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000491116491 393666932 /nfs/dbraw/zinc/66/69/32/393666932.db2.gz JUAHJMZVUUGZAK-AWEZNQCLSA-N 1 1 290.363 3.096 20 5 CGBDMO Cc1cccnc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000071338919 165069242 /nfs/dbraw/zinc/06/92/42/165069242.db2.gz ZALKRIRMAUOGFD-LBPRGKRZSA-N 1 1 271.320 3.149 20 5 CGBDMO C[N@H+]1CCC[C@H]1CCSCc1ccc([N+](=O)[O-])cc1 ZINC000126959799 287277550 /nfs/dbraw/zinc/27/75/50/287277550.db2.gz IITMOVFSUJFESM-ZDUSSCGKSA-N 1 1 280.393 3.312 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccco2)C2CC2)cc1 ZINC000045748929 270038939 /nfs/dbraw/zinc/03/89/39/270038939.db2.gz MCUUXZDJLRNVHW-UHFFFAOYSA-N 1 1 272.304 3.352 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccco2)C2CC2)cc1 ZINC000045748929 270038940 /nfs/dbraw/zinc/03/89/40/270038940.db2.gz MCUUXZDJLRNVHW-UHFFFAOYSA-N 1 1 272.304 3.352 20 5 CGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000303028929 270091991 /nfs/dbraw/zinc/09/19/91/270091991.db2.gz SXXAXAREXCJPST-MJBXVCDLSA-N 1 1 291.395 3.373 20 5 CGBDMO COC(C)(C)C[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000527054844 270124815 /nfs/dbraw/zinc/12/48/15/270124815.db2.gz JAPNOWBASPMLLJ-UKTHLTGXSA-N 1 1 292.379 3.355 20 5 CGBDMO CCOCC[N@H+](CC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116279169 267136536 /nfs/dbraw/zinc/13/65/36/267136536.db2.gz UVHAQYSXBMWQTI-UHFFFAOYSA-N 1 1 286.759 3.107 20 5 CGBDMO CCOCC[N@@H+](CC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116279169 267136539 /nfs/dbraw/zinc/13/65/39/267136539.db2.gz UVHAQYSXBMWQTI-UHFFFAOYSA-N 1 1 286.759 3.107 20 5 CGBDMO CCN(CC)C[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531959475 270211564 /nfs/dbraw/zinc/21/15/64/270211564.db2.gz DKSBFBSMVSNMHJ-UONOGXRCSA-N 1 1 293.411 3.284 20 5 CGBDMO CC(C)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000533036662 270221021 /nfs/dbraw/zinc/22/10/21/270221021.db2.gz CIDPNOGFVVHKOH-UHFFFAOYSA-N 1 1 262.353 3.258 20 5 CGBDMO C[C@@H]([N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F)C1(C)CC1 ZINC000351889190 274234063 /nfs/dbraw/zinc/23/40/63/274234063.db2.gz KGBFHNDBZVTFSR-SECBINFHSA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@@H]([N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F)C1(C)CC1 ZINC000351889190 274234064 /nfs/dbraw/zinc/23/40/64/274234064.db2.gz KGBFHNDBZVTFSR-SECBINFHSA-N 1 1 284.306 3.493 20 5 CGBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCCO1 ZINC000106866791 276002242 /nfs/dbraw/zinc/00/22/42/276002242.db2.gz VJLPJNJKDDRCGA-MRXNPFEDSA-N 1 1 292.379 3.376 20 5 CGBDMO CSC1(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC000356207770 278124299 /nfs/dbraw/zinc/12/42/99/278124299.db2.gz BYZIYOUTTVNNTR-UHFFFAOYSA-N 1 1 292.404 3.239 20 5 CGBDMO C[C@H](CNc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000339001435 279355652 /nfs/dbraw/zinc/35/56/52/279355652.db2.gz HQPBHJSCCMYJHM-CHWSQXEVSA-N 1 1 277.368 3.270 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420287335 281021451 /nfs/dbraw/zinc/02/14/51/281021451.db2.gz HVRYNDIMDZHJGK-HZSPNIEDSA-N 1 1 291.395 3.023 20 5 CGBDMO Cc1ccc(N[C@H]2CCc3c2cccc3[N+](=O)[O-])[nH+]c1 ZINC000565550427 322081874 /nfs/dbraw/zinc/08/18/74/322081874.db2.gz XLZHONLQVFJQGK-ZDUSSCGKSA-N 1 1 269.304 3.398 20 5 CGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000568034968 322189395 /nfs/dbraw/zinc/18/93/95/322189395.db2.gz HLWKHZNYZIINNI-LBPRGKRZSA-N 1 1 265.357 3.127 20 5 CGBDMO CCCC[N@@H+](C)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1C ZINC000572319393 322331223 /nfs/dbraw/zinc/33/12/23/322331223.db2.gz SWOKEHYQMUMSFL-AWEZNQCLSA-N 1 1 293.411 3.113 20 5 CGBDMO CCCCN(C)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000572319393 322331225 /nfs/dbraw/zinc/33/12/25/322331225.db2.gz SWOKEHYQMUMSFL-AWEZNQCLSA-N 1 1 293.411 3.113 20 5 CGBDMO C[N@H+](CCOCC1CC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000088600161 522891686 /nfs/dbraw/zinc/89/16/86/522891686.db2.gz YQUFXGXGBBTZJO-UHFFFAOYSA-N 1 1 298.770 3.107 20 5 CGBDMO C[N@@H+](CCOCC1CC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000088600161 522891697 /nfs/dbraw/zinc/89/16/97/522891697.db2.gz YQUFXGXGBBTZJO-UHFFFAOYSA-N 1 1 298.770 3.107 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](F)C1 ZINC000449392394 527529345 /nfs/dbraw/zinc/52/93/45/527529345.db2.gz KBRMMQLZPIPDMK-HJTPGIPUSA-N 1 1 264.300 3.042 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](F)C1 ZINC000449392394 527529347 /nfs/dbraw/zinc/52/93/47/527529347.db2.gz KBRMMQLZPIPDMK-HJTPGIPUSA-N 1 1 264.300 3.042 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411166026 528887274 /nfs/dbraw/zinc/88/72/74/528887274.db2.gz TZLDRFRYJMUKOZ-GFCCVEGCSA-N 1 1 293.367 3.044 20 5 CGBDMO CCC[C@@H]([NH2+][C@H](CN)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423262011 529021621 /nfs/dbraw/zinc/02/16/21/529021621.db2.gz LJUHZCXHGKPUSB-GOEBONIOSA-N 1 1 293.411 3.399 20 5 CGBDMO CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C[C@@H](C)OC ZINC000462824596 535765569 /nfs/dbraw/zinc/76/55/69/535765569.db2.gz FHOFMYVQPCSTNU-RNQWEJQRSA-N 1 1 292.379 3.355 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746666448 572889405 /nfs/dbraw/zinc/88/94/05/572889405.db2.gz NPNVIZKDBIEMLZ-SECBINFHSA-N 1 1 254.717 3.090 20 5 CGBDMO CCC1(CC)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750094050 573083441 /nfs/dbraw/zinc/08/34/41/573083441.db2.gz MYJLSLXQAPQLJW-OAHLLOKOSA-N 1 1 292.379 3.140 20 5 CGBDMO C[C@H](N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000925632604 619098052 /nfs/dbraw/zinc/09/80/52/619098052.db2.gz BHNFBSSTNDQYOW-XQQFMLRXSA-N 1 1 291.395 3.151 20 5 CGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C1CSC1 ZINC000877634791 619413506 /nfs/dbraw/zinc/41/35/06/619413506.db2.gz UKIMKPFNRFMXGX-UHFFFAOYSA-N 1 1 293.175 3.107 20 5 CGBDMO COc1cc([C@@H](C)[NH2+]Cc2ccoc2)cc([N+](=O)[O-])c1 ZINC000903077014 621557820 /nfs/dbraw/zinc/55/78/20/621557820.db2.gz XKDHKUUHQKBTRW-SNVBAGLBSA-N 1 1 276.292 3.047 20 5 CGBDMO C[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000226106029 622944981 /nfs/dbraw/zinc/94/49/81/622944981.db2.gz LLLZJVURLAPMPM-JTQLQIEISA-N 1 1 285.294 3.039 20 5 CGBDMO CC[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCS1 ZINC000174366930 623385650 /nfs/dbraw/zinc/38/56/50/623385650.db2.gz UTXXGQALDRGLDC-GFCCVEGCSA-N 1 1 284.356 3.061 20 5 CGBDMO CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCS1 ZINC000174366930 623385662 /nfs/dbraw/zinc/38/56/62/623385662.db2.gz UTXXGQALDRGLDC-GFCCVEGCSA-N 1 1 284.356 3.061 20 5 CGBDMO COCc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000922538925 626011399 /nfs/dbraw/zinc/01/13/99/626011399.db2.gz YWHSWMRDEWSCOE-LLVKDONJSA-N 1 1 290.319 3.185 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCSCC2)cc1Cl ZINC000761531134 627047924 /nfs/dbraw/zinc/04/79/24/627047924.db2.gz AQXPFUZIVDZPBN-UHFFFAOYSA-N 1 1 286.784 3.187 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCSCC2)cc1Cl ZINC000761531134 627047926 /nfs/dbraw/zinc/04/79/26/627047926.db2.gz AQXPFUZIVDZPBN-UHFFFAOYSA-N 1 1 286.784 3.187 20 5 CGBDMO NC(=[NH+]OCc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC000761732674 627058421 /nfs/dbraw/zinc/05/84/21/627058421.db2.gz GRTAGYMKOHMQRL-UHFFFAOYSA-N 1 1 297.742 3.437 20 5 CGBDMO Cc1nn(C[NH+]2CC(C)(C)CC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000767514591 627412411 /nfs/dbraw/zinc/41/24/11/627412411.db2.gz KRGVGXZJOCKNBN-UHFFFAOYSA-N 1 1 294.399 3.124 20 5 CGBDMO CC(C)[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000769929516 627590367 /nfs/dbraw/zinc/59/03/67/627590367.db2.gz ZVDBOWLUKVUFSS-MRXNPFEDSA-N 1 1 292.379 3.139 20 5 CGBDMO CCCC[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774633916 628010458 /nfs/dbraw/zinc/01/04/58/628010458.db2.gz GNVWMCHICRCNFG-UHFFFAOYSA-N 1 1 296.758 3.287 20 5 CGBDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275047 628187632 /nfs/dbraw/zinc/18/76/32/628187632.db2.gz FSHMPIRBJGLTHG-DAXOMENPSA-N 1 1 292.379 3.139 20 5 CGBDMO CC(C)[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584671 628221083 /nfs/dbraw/zinc/22/10/83/628221083.db2.gz OHDNWDUFFNYKLU-HOTGVXAUSA-N 1 1 292.379 3.139 20 5 CGBDMO Cc1nn(C[N@H+]2CCC[C@@H](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000779865363 628438904 /nfs/dbraw/zinc/43/89/04/628438904.db2.gz LNJNZUJIILAJBI-CYBMUJFWSA-N 1 1 294.399 3.205 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccn1 ZINC000783592258 628729882 /nfs/dbraw/zinc/72/98/82/628729882.db2.gz AMEUAZXQGSZNCE-SNVBAGLBSA-N 1 1 291.738 3.494 20 5 CGBDMO Cc1occc1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783598594 628730425 /nfs/dbraw/zinc/73/04/25/628730425.db2.gz KDBQSXHAHQUVSD-UHFFFAOYSA-N 1 1 280.711 3.439 20 5 CGBDMO CO[C@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000784364728 628809676 /nfs/dbraw/zinc/80/96/76/628809676.db2.gz HZAXRIMRVARJEM-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000784364728 628809679 /nfs/dbraw/zinc/80/96/79/628809679.db2.gz HZAXRIMRVARJEM-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792875049 629389783 /nfs/dbraw/zinc/38/97/83/629389783.db2.gz XNAXJVDLGOXDKS-ZYHUDNBSSA-N 1 1 293.323 3.266 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2F)cc1[N+](=O)[O-] ZINC000794836606 629585176 /nfs/dbraw/zinc/58/51/76/629585176.db2.gz RKBLVULMNMKGPI-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO CC1=C[C@H](C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801555209 630343032 /nfs/dbraw/zinc/34/30/32/630343032.db2.gz HPUOMSCZXLLLGP-JTQLQIEISA-N 1 1 264.300 3.132 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3C[C@H]3C2)cc1Cl ZINC000827507247 633495655 /nfs/dbraw/zinc/49/56/55/633495655.db2.gz VOYUJYUBDDKQNC-QWRGUYRKSA-N 1 1 266.728 3.090 20 5 CGBDMO C[C@@H]1CCC(C)(C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832565270 634073075 /nfs/dbraw/zinc/07/30/75/634073075.db2.gz QRJNKSMBQQMVAF-SNVBAGLBSA-N 1 1 293.323 3.266 20 5 CGBDMO CO[C@@H]1CCC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000877196664 635011814 /nfs/dbraw/zinc/01/18/14/635011814.db2.gz GJYVBBMRQYLGRL-CQSZACIVSA-N 1 1 292.379 3.213 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000880234141 635945203 /nfs/dbraw/zinc/94/52/03/635945203.db2.gz PTOLOFKTUAFBHB-SNVBAGLBSA-N 1 1 286.734 3.430 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H](CF)C1 ZINC000880234141 635945206 /nfs/dbraw/zinc/94/52/06/635945206.db2.gz PTOLOFKTUAFBHB-SNVBAGLBSA-N 1 1 286.734 3.430 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CF)C1 ZINC000880293242 635966447 /nfs/dbraw/zinc/96/64/47/635966447.db2.gz GESSQPBZQIMLAW-GFCCVEGCSA-N 1 1 296.342 3.173 20 5 CGBDMO CC1=CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848482957 636580511 /nfs/dbraw/zinc/58/05/11/636580511.db2.gz WWMROZMQWDTZAW-UHFFFAOYSA-N 1 1 298.346 3.068 20 5 CGBDMO CC1=CC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848482957 636580516 /nfs/dbraw/zinc/58/05/16/636580516.db2.gz WWMROZMQWDTZAW-UHFFFAOYSA-N 1 1 298.346 3.068 20 5 CGBDMO CCC(CC)[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885979537 637341498 /nfs/dbraw/zinc/34/14/98/637341498.db2.gz FXUIJTFFJIGMNA-UHFFFAOYSA-N 1 1 263.341 3.143 20 5 CGBDMO CC[C@H](C)[C@@H](C)[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885989030 637344033 /nfs/dbraw/zinc/34/40/33/637344033.db2.gz UWBTVPWYJAHGPT-NWDGAFQWSA-N 1 1 277.368 3.389 20 5 CGBDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886038576 637380141 /nfs/dbraw/zinc/38/01/41/637380141.db2.gz YUZPGUWHYGKISJ-CZUORRHYSA-N 1 1 297.358 3.368 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCCC[C@H]1C1CCC1 ZINC000886267171 637473346 /nfs/dbraw/zinc/47/33/46/637473346.db2.gz HOALSCWCYHEPLA-AWEZNQCLSA-N 1 1 275.352 3.144 20 5 CGBDMO Cc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000853232126 637788964 /nfs/dbraw/zinc/78/89/64/637788964.db2.gz SIYQOGSGPDPQBB-SNVBAGLBSA-N 1 1 295.770 3.205 20 5 CGBDMO CCCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774181 640802816 /nfs/dbraw/zinc/80/28/16/640802816.db2.gz URIMQWIBVSTCNQ-UHFFFAOYSA-N 1 1 254.305 3.356 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001254551738 806447670 /nfs/dbraw/zinc/44/76/70/806447670.db2.gz FAJONJBAHIXDNQ-UGFHNGPFSA-N 1 1 298.333 3.298 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001254551738 806447675 /nfs/dbraw/zinc/44/76/75/806447675.db2.gz FAJONJBAHIXDNQ-UGFHNGPFSA-N 1 1 298.333 3.298 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CCc1cccnc1 ZINC001254557762 806449294 /nfs/dbraw/zinc/44/92/94/806449294.db2.gz AFYZQTLDMFWBQJ-CQSZACIVSA-N 1 1 299.374 3.095 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(CF)C1 ZINC001254552760 806449903 /nfs/dbraw/zinc/44/99/03/806449903.db2.gz PADAQFIEMKMYOP-IUODEOHRSA-N 1 1 280.343 3.207 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCc3ccccc3C1)C2 ZINC001254597837 806457130 /nfs/dbraw/zinc/45/71/30/806457130.db2.gz HXNWUELZVOLAAI-GOSISDBHSA-N 1 1 294.354 3.120 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1C[C@@H]3CCCC[C@@H]3C1)C2 ZINC001254596870 806457464 /nfs/dbraw/zinc/45/74/64/806457464.db2.gz GFBKXXLNUAOOQG-JKIFEVAISA-N 1 1 286.375 3.184 20 5 CGBDMO CC[C@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254602772 806458291 /nfs/dbraw/zinc/45/82/91/806458291.db2.gz ISXPTUYIZSPJOG-BLLLJJGKSA-N 1 1 274.364 3.184 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254604627 806460047 /nfs/dbraw/zinc/46/00/47/806460047.db2.gz WYDNMAWHKIBCPR-BFQNTYOBSA-N 1 1 274.364 3.040 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1Cc3cccc(F)c3C1)C2 ZINC001254604811 806460305 /nfs/dbraw/zinc/46/03/05/806460305.db2.gz XROPNPAPEFSFFN-HNNXBMFYSA-N 1 1 298.317 3.217 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1Cc3cccc(F)c3C1)C2 ZINC001254604816 806460600 /nfs/dbraw/zinc/46/06/00/806460600.db2.gz XROPNPAPEFSFFN-OAHLLOKOSA-N 1 1 298.317 3.217 20 5 CGBDMO CC(C)[C@@H]1CCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254609839 806461020 /nfs/dbraw/zinc/46/10/20/806461020.db2.gz ZCHBZXKZTSDQDT-HOTGVXAUSA-N 1 1 274.364 3.182 20 5 CGBDMO CC(C)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCS1 ZINC000687932323 799741796 /nfs/dbraw/zinc/74/17/96/799741796.db2.gz HAUGXCMOGNPDIZ-AWEZNQCLSA-N 1 1 298.383 3.307 20 5 CGBDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCS1 ZINC000687932323 799741802 /nfs/dbraw/zinc/74/18/02/799741802.db2.gz HAUGXCMOGNPDIZ-AWEZNQCLSA-N 1 1 298.383 3.307 20 5 CGBDMO CO[C@H](C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000692278218 799792536 /nfs/dbraw/zinc/79/25/36/799792536.db2.gz LHRRTBDWCZYBIP-CQSZACIVSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H](C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000692278218 799792542 /nfs/dbraw/zinc/79/25/42/799792542.db2.gz LHRRTBDWCZYBIP-CQSZACIVSA-N 1 1 298.770 3.105 20 5 CGBDMO C[N@H+]1CCCC[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000700771448 799879035 /nfs/dbraw/zinc/87/90/35/799879035.db2.gz RJFARUFOVVWWFS-NSHDSACASA-N 1 1 297.786 3.392 20 5 CGBDMO CC(C)O[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000701669090 799892698 /nfs/dbraw/zinc/89/26/98/799892698.db2.gz UFSFSRFWCDURAH-CYBMUJFWSA-N 1 1 298.770 3.248 20 5 CGBDMO CC(C)O[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000701669090 799892707 /nfs/dbraw/zinc/89/27/07/799892707.db2.gz UFSFSRFWCDURAH-CYBMUJFWSA-N 1 1 298.770 3.248 20 5 CGBDMO CC(C)O[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000701670810 799893151 /nfs/dbraw/zinc/89/31/51/799893151.db2.gz YXVTVNYQGUGREE-GFCCVEGCSA-N 1 1 298.770 3.248 20 5 CGBDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000701670810 799893159 /nfs/dbraw/zinc/89/31/59/799893159.db2.gz YXVTVNYQGUGREE-GFCCVEGCSA-N 1 1 298.770 3.248 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)cc1F ZINC000706756204 799965248 /nfs/dbraw/zinc/96/52/48/799965248.db2.gz AXINOQSIRHIASW-AAEUAGOBSA-N 1 1 264.300 3.108 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC001163618711 806793063 /nfs/dbraw/zinc/79/30/63/806793063.db2.gz VJDWYXWTSDZGPU-ZFWWWQNUSA-N 1 1 289.379 3.332 20 5 CGBDMO Cc1coc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000718086858 800210845 /nfs/dbraw/zinc/21/08/45/800210845.db2.gz POMPMSIIUJCYAP-NSHDSACASA-N 1 1 260.293 3.347 20 5 CGBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC001164378788 806943405 /nfs/dbraw/zinc/94/34/05/806943405.db2.gz BFRCUBARBMLJQG-DLOVCJGASA-N 1 1 295.770 3.000 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCc3ccc(Cl)cc3C2)C1 ZINC001169007241 807551986 /nfs/dbraw/zinc/55/19/86/807551986.db2.gz MBTXFRCHLSZEOE-NHYWBVRUSA-N 1 1 294.782 3.144 20 5 CGBDMO C[N@@H+](CCc1ccccc1Cl)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037732 807556242 /nfs/dbraw/zinc/55/62/42/807556242.db2.gz TWXODCDUEHUBTQ-OCCSQVGLSA-N 1 1 296.798 3.260 20 5 CGBDMO Cc1ccc(C[N@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1C ZINC001169040947 807556982 /nfs/dbraw/zinc/55/69/82/807556982.db2.gz AFMGWADEWFDUBZ-HOTGVXAUSA-N 1 1 276.380 3.181 20 5 CGBDMO COc1ccc([C@H](C)[N@@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169039513 807557010 /nfs/dbraw/zinc/55/70/10/807557010.db2.gz QMFRGAJDGUMRAZ-KCQAQPDRSA-N 1 1 292.379 3.133 20 5 CGBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@@H](C)C2)c1F ZINC001173181801 808533447 /nfs/dbraw/zinc/53/34/47/808533447.db2.gz PWDNKCDSRFRBPH-GHMZBOCLSA-N 1 1 296.342 3.015 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccncc1 ZINC001173226657 808541322 /nfs/dbraw/zinc/54/13/22/808541322.db2.gz NFYHUYXUZZVLQR-ZDUSSCGKSA-N 1 1 285.347 3.053 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)CC12CC2 ZINC001173233234 808542707 /nfs/dbraw/zinc/54/27/07/808542707.db2.gz UUHPPNAKJIJWEK-STQMWFEESA-N 1 1 274.364 3.400 20 5 CGBDMO Cc1cn2cc(Nc3cc([N+](=O)[O-])ccc3F)ccc2[nH+]1 ZINC001175734482 809522509 /nfs/dbraw/zinc/52/25/09/809522509.db2.gz QWDXMRIAWWLUDU-UHFFFAOYSA-N 1 1 286.266 3.434 20 5 CGBDMO CCC[N@@H+](CC)CCNc1cc(C)sc1[N+](=O)[O-] ZINC001185594382 810278856 /nfs/dbraw/zinc/27/88/56/810278856.db2.gz VVNRAMHUTCYALI-UHFFFAOYSA-N 1 1 271.386 3.109 20 5 CGBDMO Cc1cccc(C)c1C[N@H+](CC[N+](=O)[O-])CC(C)C ZINC001195422949 811253323 /nfs/dbraw/zinc/25/33/23/811253323.db2.gz AJUUGXGLUVGULC-UHFFFAOYSA-N 1 1 264.369 3.038 20 5 CGBDMO Cc1[nH+]c2ccccn2c1Nc1ccccc1[N+](=O)[O-] ZINC001206145124 813213044 /nfs/dbraw/zinc/21/30/44/813213044.db2.gz XRHCRKHKVKDDPE-UHFFFAOYSA-N 1 1 268.276 3.295 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1CO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001223535587 816647069 /nfs/dbraw/zinc/64/70/69/816647069.db2.gz NITJMCYPZDVONV-WDNDVIMCSA-N 1 1 290.363 3.045 20 5 CGBDMO C[C@@H](OC[C@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC001224707983 816861718 /nfs/dbraw/zinc/86/17/18/816861718.db2.gz UZBHGVCRJVPCNL-IUODEOHRSA-N 1 1 278.352 3.157 20 5 CGBDMO CC[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001226508965 817379254 /nfs/dbraw/zinc/37/92/54/817379254.db2.gz INMLKIWBOLASHC-GFCCVEGCSA-N 1 1 286.331 3.221 20 5 CGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC001226811350 817472184 /nfs/dbraw/zinc/47/21/84/817472184.db2.gz WWGFELNZTXKKDB-IAZYJMLFSA-N 1 1 296.754 3.252 20 5 CGBDMO CC[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001226809655 817472358 /nfs/dbraw/zinc/47/23/58/817472358.db2.gz GAZJCDSYQWLHCU-NSHDSACASA-N 1 1 284.743 3.111 20 5 CGBDMO CC(C)(C)[NH+]1CC(Oc2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001228255981 817852398 /nfs/dbraw/zinc/85/23/98/817852398.db2.gz NZNNUATUEPSPNF-UHFFFAOYSA-N 1 1 284.743 3.110 20 5 CGBDMO CC[N@H+]1CC[C@H](Oc2cccc3nc4ccccc4nc32)C1 ZINC001228523233 817927421 /nfs/dbraw/zinc/92/74/21/817927421.db2.gz SRUWQIBGGYGHMM-ZDUSSCGKSA-N 1 1 293.370 3.256 20 5 CGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230914851 928076277 /nfs/dbraw/zinc/07/62/77/928076277.db2.gz KYDYLWAYQKXODG-LLVKDONJSA-N 1 1 298.770 3.500 20 5 CGBDMO Cc1ccc(N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001458125609 937451987 /nfs/dbraw/zinc/45/19/87/937451987.db2.gz FDIUELLTGNHPHH-UONOGXRCSA-N 1 1 291.395 3.436 20 5 CGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](CF)C2)cc1 ZINC001460691789 937540561 /nfs/dbraw/zinc/54/05/61/937540561.db2.gz BERGTDSGEPBVRE-CYBMUJFWSA-N 1 1 296.342 3.045 20 5 CGBDMO C[N@H+]1CCC[C@H](Oc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001229961952 932511628 /nfs/dbraw/zinc/51/16/28/932511628.db2.gz LPVONUCRVVHPML-JTQLQIEISA-N 1 1 284.743 3.111 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC001308085015 933047145 /nfs/dbraw/zinc/04/71/45/933047145.db2.gz HBPTVNYLHYNFTE-CHWSQXEVSA-N 1 1 292.379 3.471 20 5 CGBDMO CS[C@H]1CC[C@@H]([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001318783771 933780081 /nfs/dbraw/zinc/78/00/81/933780081.db2.gz GREDWRZKSQFMID-MNOVXSKESA-N 1 1 298.383 3.450 20 5 CGBDMO CS[C@H]1CC[C@@H]([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001318783771 933780087 /nfs/dbraw/zinc/78/00/87/933780087.db2.gz GREDWRZKSQFMID-MNOVXSKESA-N 1 1 298.383 3.450 20 5 CGBDMO O=[N+]([O-])c1sccc1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001472712219 937781113 /nfs/dbraw/zinc/78/11/13/937781113.db2.gz CISBPPYNZDKBRX-GFCCVEGCSA-N 1 1 295.408 3.333 20 5 CGBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001325197986 934892940 /nfs/dbraw/zinc/89/29/40/934892940.db2.gz YLDWDQRBKNWTMT-UHFFFAOYSA-N 1 1 266.341 3.094 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC001473743397 937820588 /nfs/dbraw/zinc/82/05/88/937820588.db2.gz SBWBHHJIEMEJIM-CQSZACIVSA-N 1 1 289.379 3.392 20 5 CGBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H]1C ZINC001559923409 938238984 /nfs/dbraw/zinc/23/89/84/938238984.db2.gz ZXISHRQPXMAKEN-AGIUHOORSA-N 1 1 262.353 3.114 20 5 CGBDMO CC[C@@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000350740991 219056578 /nfs/dbraw/zinc/05/65/78/219056578.db2.gz BTMDNYWEFABAFC-SNVBAGLBSA-N 1 1 252.289 3.108 20 5 CGBDMO CC[C@H](CSC)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000358740133 529409717 /nfs/dbraw/zinc/40/97/17/529409717.db2.gz WAKJVTJNCUUMSE-GFCCVEGCSA-N 1 1 298.408 3.047 20 5 CGBDMO CCC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000350782348 219061948 /nfs/dbraw/zinc/06/19/48/219061948.db2.gz XMDUGUHFFLNYRE-UHFFFAOYSA-N 1 1 278.352 3.238 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1=CCCC1 ZINC000592123266 346965070 /nfs/dbraw/zinc/96/50/70/346965070.db2.gz RQTAWFCRMDFLLN-UHFFFAOYSA-N 1 1 260.337 3.179 20 5 CGBDMO CC[N@@H+](CCSC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592199667 346971388 /nfs/dbraw/zinc/97/13/88/346971388.db2.gz IGYGTDFDJRLSCQ-UHFFFAOYSA-N 1 1 288.800 3.433 20 5 CGBDMO CC[N@@H+](CCSC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000592200179 346971462 /nfs/dbraw/zinc/97/14/62/346971462.db2.gz MXEXJCKJSILTFT-NSHDSACASA-N 1 1 268.382 3.341 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(F)cc1F ZINC000048068888 345060295 /nfs/dbraw/zinc/06/02/95/345060295.db2.gz SYSJVLAIWJLCAG-UHFFFAOYSA-N 1 1 278.258 3.163 20 5 CGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000051128412 345087219 /nfs/dbraw/zinc/08/72/19/345087219.db2.gz IWUYAYBDYRCQGB-UHFFFAOYSA-N 1 1 278.352 3.238 20 5 CGBDMO Cc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000053036486 345113254 /nfs/dbraw/zinc/11/32/54/345113254.db2.gz VAXDIXRJKLTZEB-UHFFFAOYSA-N 1 1 260.293 3.094 20 5 CGBDMO Cc1c(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000075894700 345526719 /nfs/dbraw/zinc/52/67/19/345526719.db2.gz HERJBYGLFVMYQK-PHIMTYICSA-N 1 1 280.393 3.229 20 5 CGBDMO CCOc1cc(NCC[N@@H+](CC)C(C)C)ccc1[N+](=O)[O-] ZINC000092641839 345849030 /nfs/dbraw/zinc/84/90/30/345849030.db2.gz RVYYPFCUZNHXSC-UHFFFAOYSA-N 1 1 295.383 3.136 20 5 CGBDMO Cc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000400902063 346590880 /nfs/dbraw/zinc/59/08/80/346590880.db2.gz NICGICRIFCGVQV-GFCCVEGCSA-N 1 1 271.320 3.149 20 5 CGBDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000584808169 346715675 /nfs/dbraw/zinc/71/56/75/346715675.db2.gz FUMDZRZVPYLZCE-ZDUSSCGKSA-N 1 1 282.409 3.477 20 5 CGBDMO CC(C)C[N@@H+](C)CCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000593715230 347106473 /nfs/dbraw/zinc/10/64/73/347106473.db2.gz JRDJHWCGFHYTHO-AWEZNQCLSA-N 1 1 293.411 3.223 20 5 CGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])s1 ZINC000589609026 346802384 /nfs/dbraw/zinc/80/23/84/346802384.db2.gz PAEYXQCXTDXPAQ-SNVBAGLBSA-N 1 1 271.386 3.189 20 5 CGBDMO COCC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000595295604 347288321 /nfs/dbraw/zinc/28/83/21/347288321.db2.gz MOFYECMASVJQJU-UHFFFAOYSA-N 1 1 296.342 3.125 20 5 CGBDMO CC(C)C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595299503 347289111 /nfs/dbraw/zinc/28/91/11/347289111.db2.gz SKESQJIIOJMRFM-UHFFFAOYSA-N 1 1 266.316 3.354 20 5 CGBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC(C)(C)C ZINC000595309506 347290157 /nfs/dbraw/zinc/29/01/57/347290157.db2.gz VRGJQDQKKIFHEV-UHFFFAOYSA-N 1 1 254.305 3.212 20 5 CGBDMO C[C@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595056931 347272724 /nfs/dbraw/zinc/27/27/24/347272724.db2.gz SZGQVLGNLPVCIX-JSGCOSHPSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595056931 347272727 /nfs/dbraw/zinc/27/27/27/347272727.db2.gz SZGQVLGNLPVCIX-JSGCOSHPSA-N 1 1 291.395 3.118 20 5 CGBDMO Cc1noc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000595742244 347348739 /nfs/dbraw/zinc/34/87/39/347348739.db2.gz YANULDNBGOAIHH-CYBMUJFWSA-N 1 1 293.367 3.293 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](CCF)C2)c1 ZINC000595757064 347351321 /nfs/dbraw/zinc/35/13/21/347351321.db2.gz YMURRBARZVPZFM-LBPRGKRZSA-N 1 1 266.316 3.166 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CCF)C2)c(F)c1 ZINC000595755566 347351897 /nfs/dbraw/zinc/35/18/97/347351897.db2.gz OCTXKHQSTMKQTG-LLVKDONJSA-N 1 1 284.306 3.306 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000596336018 347422237 /nfs/dbraw/zinc/42/22/37/347422237.db2.gz KIZHCPRMSJAQTD-SNVBAGLBSA-N 1 1 281.331 3.019 20 5 CGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+]2C2CCCCC2)s1 ZINC000599126388 347719504 /nfs/dbraw/zinc/71/95/04/347719504.db2.gz FURKQCVIWZPHLB-GFCCVEGCSA-N 1 1 295.408 3.475 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C)C1(F)F ZINC000599513280 347749434 /nfs/dbraw/zinc/74/94/34/347749434.db2.gz RRHYSSBNBCWRAK-PHIMTYICSA-N 1 1 284.306 3.318 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@]1(C)CCCS1 ZINC000600160464 347786143 /nfs/dbraw/zinc/78/61/43/347786143.db2.gz SMMOETAGFHWOEL-OAHLLOKOSA-N 1 1 294.420 3.355 20 5 CGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCC3(C(F)F)CC3)c2c1 ZINC000601155857 347876361 /nfs/dbraw/zinc/87/63/61/347876361.db2.gz IIXIMBCIHBZTQR-UHFFFAOYSA-N 1 1 293.273 3.022 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCC[C@@H]1CCO1)C1CC1 ZINC000602441200 347959363 /nfs/dbraw/zinc/95/93/63/347959363.db2.gz VWSASCFTJFPOHC-OAHLLOKOSA-N 1 1 290.363 3.128 20 5 CGBDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602783673 348028140 /nfs/dbraw/zinc/02/81/40/348028140.db2.gz KEASKYDCLNMIQE-JSGCOSHPSA-N 1 1 294.399 3.000 20 5 CGBDMO Cc1cc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000603857221 348099388 /nfs/dbraw/zinc/09/93/88/348099388.db2.gz DZXPTPJUWIUMKC-OCCSQVGLSA-N 1 1 291.395 3.436 20 5 CGBDMO Cc1cc(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000603857219 348099727 /nfs/dbraw/zinc/09/97/27/348099727.db2.gz DZXPTPJUWIUMKC-JSGCOSHPSA-N 1 1 291.395 3.436 20 5 CGBDMO CC[N@H+](CCC(F)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC000604525259 348123424 /nfs/dbraw/zinc/12/34/24/348123424.db2.gz CQVUKRDGBSRXPP-UHFFFAOYSA-N 1 1 276.258 3.369 20 5 CGBDMO CC[N@@H+](CCC(F)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC000604525259 348123426 /nfs/dbraw/zinc/12/34/26/348123426.db2.gz CQVUKRDGBSRXPP-UHFFFAOYSA-N 1 1 276.258 3.369 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1CCNc1ccsc1[N+](=O)[O-] ZINC000609595598 348348576 /nfs/dbraw/zinc/34/85/76/348348576.db2.gz RKNLURJZBDPGHE-NSHDSACASA-N 1 1 283.397 3.333 20 5 CGBDMO C[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000610215244 348367027 /nfs/dbraw/zinc/36/70/27/348367027.db2.gz HAVBRJYTWGAPPV-KBPBESRZSA-N 1 1 292.379 3.484 20 5 CGBDMO C[C@H]1CCC[C@H](C)[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000610215394 348367519 /nfs/dbraw/zinc/36/75/19/348367519.db2.gz PBDAXBMYGNDUGJ-KBPBESRZSA-N 1 1 292.379 3.484 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501837 348456884 /nfs/dbraw/zinc/45/68/84/348456884.db2.gz ITZHMYBHXYTQQY-GYSYKLTISA-N 1 1 266.316 3.336 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501837 348456889 /nfs/dbraw/zinc/45/68/89/348456889.db2.gz ITZHMYBHXYTQQY-GYSYKLTISA-N 1 1 266.316 3.336 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501840 348456954 /nfs/dbraw/zinc/45/69/54/348456954.db2.gz ITZHMYBHXYTQQY-UHIISALHSA-N 1 1 266.316 3.336 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501840 348456958 /nfs/dbraw/zinc/45/69/58/348456958.db2.gz ITZHMYBHXYTQQY-UHIISALHSA-N 1 1 266.316 3.336 20 5 CGBDMO O=[N+]([O-])c1ccsc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000617976693 349031960 /nfs/dbraw/zinc/03/19/60/349031960.db2.gz ZUWYOYJWICILJR-NSHDSACASA-N 1 1 281.381 3.085 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)cs1 ZINC000291590282 198044439 /nfs/dbraw/zinc/04/44/39/198044439.db2.gz PRWNVVJSRSRJRW-ZDUSSCGKSA-N 1 1 278.377 3.421 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)cs1 ZINC000291590282 198044440 /nfs/dbraw/zinc/04/44/40/198044440.db2.gz PRWNVVJSRSRJRW-ZDUSSCGKSA-N 1 1 278.377 3.421 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000123060401 187068468 /nfs/dbraw/zinc/06/84/68/187068468.db2.gz QERBFVXASQJVRU-MNOVXSKESA-N 1 1 289.335 3.214 20 5 CGBDMO Cc1noc(C)c1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292141589 198178779 /nfs/dbraw/zinc/17/87/79/198178779.db2.gz MNXPCLAZGZJFLF-UHFFFAOYSA-N 1 1 289.335 3.225 20 5 CGBDMO Cc1cc(NCC[C@@H]2CCC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000413440939 235278259 /nfs/dbraw/zinc/27/82/59/235278259.db2.gz PCPTYRCAKCTCQO-LBPRGKRZSA-N 1 1 295.358 3.186 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1CC1 ZINC000104675199 138350454 /nfs/dbraw/zinc/35/04/54/138350454.db2.gz DXMJKUCRGDLRAP-UHFFFAOYSA-N 1 1 278.352 3.224 20 5 CGBDMO Cc1cnccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000294587134 199096550 /nfs/dbraw/zinc/09/65/50/199096550.db2.gz RIUNCVCHTUJRKQ-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1cnccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000294587134 199096552 /nfs/dbraw/zinc/09/65/52/199096552.db2.gz RIUNCVCHTUJRKQ-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO CC(C)[N@H+](Cc1cncs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000179320195 189185639 /nfs/dbraw/zinc/18/56/39/189185639.db2.gz JATVSTBOFSHYMH-UHFFFAOYSA-N 1 1 291.376 3.462 20 5 CGBDMO CC(C)[N@@H+](Cc1cncs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000179320195 189185640 /nfs/dbraw/zinc/18/56/40/189185640.db2.gz JATVSTBOFSHYMH-UHFFFAOYSA-N 1 1 291.376 3.462 20 5 CGBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000342295900 216296830 /nfs/dbraw/zinc/29/68/30/216296830.db2.gz PYOJAZPKNQNTSV-GFCCVEGCSA-N 1 1 295.358 3.045 20 5 CGBDMO C[C@H]1SCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000336813958 291260738 /nfs/dbraw/zinc/26/07/38/291260738.db2.gz VYYGNHHFXHJQDH-NXEZZACHSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@H]1SCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000336813958 291260739 /nfs/dbraw/zinc/26/07/39/291260739.db2.gz VYYGNHHFXHJQDH-NXEZZACHSA-N 1 1 284.356 3.060 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000449348497 239336877 /nfs/dbraw/zinc/33/68/77/239336877.db2.gz GVOYIGDYNDAMNO-CQSZACIVSA-N 1 1 266.316 3.227 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@](C)(F)C1 ZINC000449348497 239336881 /nfs/dbraw/zinc/33/68/81/239336881.db2.gz GVOYIGDYNDAMNO-CQSZACIVSA-N 1 1 266.316 3.227 20 5 CGBDMO CO[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000451564598 240327178 /nfs/dbraw/zinc/32/71/78/240327178.db2.gz KWJXEDLRRFVWIX-IINYFYTJSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000451564598 240327185 /nfs/dbraw/zinc/32/71/85/240327185.db2.gz KWJXEDLRRFVWIX-IINYFYTJSA-N 1 1 298.770 3.105 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1ccccn1 ZINC000275735354 193115846 /nfs/dbraw/zinc/11/58/46/193115846.db2.gz UYXQARUAOVRVEQ-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)Cc1ccccn1 ZINC000275735354 193115847 /nfs/dbraw/zinc/11/58/47/193115847.db2.gz UYXQARUAOVRVEQ-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC(C)(C)C1 ZINC000459733551 242195999 /nfs/dbraw/zinc/19/59/99/242195999.db2.gz AWLYHAJVUSTMBE-UHFFFAOYSA-N 1 1 262.353 3.258 20 5 CGBDMO C[C@@H]1CCCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000481587638 243200253 /nfs/dbraw/zinc/20/02/53/243200253.db2.gz LVPWMSUADOUEEJ-CYBMUJFWSA-N 1 1 278.352 3.096 20 5 CGBDMO CC1=C(C)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000483384005 243282202 /nfs/dbraw/zinc/28/22/02/243282202.db2.gz RAVMTWXCJDQWOJ-UHFFFAOYSA-N 1 1 276.336 3.016 20 5 CGBDMO C[C@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000033394705 368963301 /nfs/dbraw/zinc/96/33/01/368963301.db2.gz WDUFHALGCCZXFY-XURPKSDJSA-N 1 1 260.337 3.482 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCc3occc32)cs1 ZINC000037562665 369089143 /nfs/dbraw/zinc/08/91/43/369089143.db2.gz NLZICKYCZFVHFR-NSHDSACASA-N 1 1 278.333 3.417 20 5 CGBDMO C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037910711 369125239 /nfs/dbraw/zinc/12/52/39/369125239.db2.gz ZSTHNZLECZYMAT-SECBINFHSA-N 1 1 254.717 3.233 20 5 CGBDMO CC[C@@]1(C)C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000276066193 193202809 /nfs/dbraw/zinc/20/28/09/193202809.db2.gz QPPFQVIYXUIYML-WFASDCNBSA-N 1 1 278.352 3.157 20 5 CGBDMO CC[C@@]1(C)C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000276066193 193202811 /nfs/dbraw/zinc/20/28/11/193202811.db2.gz QPPFQVIYXUIYML-WFASDCNBSA-N 1 1 278.352 3.157 20 5 CGBDMO C[C@H]1CCCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000512210820 245025603 /nfs/dbraw/zinc/02/56/03/245025603.db2.gz WUNLCZRSXICCTH-ZDUSSCGKSA-N 1 1 278.352 3.238 20 5 CGBDMO CC(C)(C)OCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153294561 371761724 /nfs/dbraw/zinc/76/17/24/371761724.db2.gz UBTXMKJNNJPSRN-UHFFFAOYSA-N 1 1 292.379 3.374 20 5 CGBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000432335971 372562649 /nfs/dbraw/zinc/56/26/49/372562649.db2.gz OJYWUASXNBVNFL-LLVKDONJSA-N 1 1 297.786 3.026 20 5 CGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000433794443 372633745 /nfs/dbraw/zinc/63/37/45/372633745.db2.gz YCHOZPJJJZJFED-HNNXBMFYSA-N 1 1 275.352 3.024 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1CCOCC1 ZINC000172007473 372881609 /nfs/dbraw/zinc/88/16/09/372881609.db2.gz IUQZEDMPSDBBSE-GFCCVEGCSA-N 1 1 278.352 3.014 20 5 CGBDMO C[C@H]1CCCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000353494328 220116264 /nfs/dbraw/zinc/11/62/64/220116264.db2.gz ZPPSWAQLQICTIH-JTQLQIEISA-N 1 1 254.355 3.421 20 5 CGBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000446906608 373378072 /nfs/dbraw/zinc/37/80/72/373378072.db2.gz PDEAXRCUWSDDSX-MRXNPFEDSA-N 1 1 292.379 3.030 20 5 CGBDMO COC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174860878 373372445 /nfs/dbraw/zinc/37/24/45/373372445.db2.gz WSJJLKOZUBGCMF-LLVKDONJSA-N 1 1 298.770 3.107 20 5 CGBDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000447080100 373400893 /nfs/dbraw/zinc/40/08/93/373400893.db2.gz SMEJGPGTRQXXKQ-INIZCTEOSA-N 1 1 292.379 3.376 20 5 CGBDMO C[C@H]1CCCC[N@H+]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000301094223 373658822 /nfs/dbraw/zinc/65/88/22/373658822.db2.gz MDQBDSJYQAGETF-NSHDSACASA-N 1 1 281.331 3.020 20 5 CGBDMO CCC(CC)[N@@H+](CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000289552306 197399079 /nfs/dbraw/zinc/39/90/79/197399079.db2.gz XFCCYLLWCZKZQS-OAHLLOKOSA-N 1 1 280.368 3.139 20 5 CGBDMO CCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000449499826 373796428 /nfs/dbraw/zinc/79/64/28/373796428.db2.gz MIBDFRYRCIWOFG-BBRMVZONSA-N 1 1 292.379 3.150 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC2(CCC2)C1 ZINC000183351091 374405995 /nfs/dbraw/zinc/40/59/95/374405995.db2.gz WXEGGYJOUCJDRC-UHFFFAOYSA-N 1 1 260.337 3.279 20 5 CGBDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330663247 374488555 /nfs/dbraw/zinc/48/85/55/374488555.db2.gz SWPQALYHOTUVJW-AAEUAGOBSA-N 1 1 278.352 3.366 20 5 CGBDMO CCc1ncc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000453386373 374473128 /nfs/dbraw/zinc/47/31/28/374473128.db2.gz VGUWQPPJLMSOAA-NSHDSACASA-N 1 1 289.335 3.304 20 5 CGBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000331308307 374520445 /nfs/dbraw/zinc/52/04/45/374520445.db2.gz XACLYAQTLFBELD-MRXNPFEDSA-N 1 1 292.379 3.030 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331318355 374522204 /nfs/dbraw/zinc/52/22/04/374522204.db2.gz KCFISZKQMMHWHV-DOMZBBRYSA-N 1 1 292.379 3.403 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331318355 374522208 /nfs/dbraw/zinc/52/22/08/374522208.db2.gz KCFISZKQMMHWHV-DOMZBBRYSA-N 1 1 292.379 3.403 20 5 CGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000185602173 374695863 /nfs/dbraw/zinc/69/58/63/374695863.db2.gz ZEKQYTWZHUEFLO-GXSJLCMTSA-N 1 1 254.355 3.277 20 5 CGBDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000185636505 374704744 /nfs/dbraw/zinc/70/47/44/374704744.db2.gz RVWBYZIBCINOLH-YPMHNXCESA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000190688446 375530835 /nfs/dbraw/zinc/53/08/35/375530835.db2.gz CKJCXPIZGTUHMZ-BPJJOFIESA-N 1 1 292.404 3.435 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)C(C)C ZINC000507187508 375684661 /nfs/dbraw/zinc/68/46/61/375684661.db2.gz KPPUADLIPHGFTJ-LBPRGKRZSA-N 1 1 280.368 3.470 20 5 CGBDMO CC(C)[N@H+]1CC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000227889164 376416780 /nfs/dbraw/zinc/41/67/80/376416780.db2.gz AGKLVNONRBBYBC-JTQLQIEISA-N 1 1 299.321 3.015 20 5 CGBDMO C[C@@H](c1cccnc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338370811 376354970 /nfs/dbraw/zinc/35/49/70/376354970.db2.gz BUXYQLZAZXUIME-ZDUSSCGKSA-N 1 1 285.347 3.225 20 5 CGBDMO CC[C@H]1CC[C@H](C)[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000540056576 376356050 /nfs/dbraw/zinc/35/60/50/376356050.db2.gz SZJXOVYFJRTQLM-STQMWFEESA-N 1 1 278.352 3.237 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000542254012 376525036 /nfs/dbraw/zinc/52/50/36/376525036.db2.gz VZJNPQBUGFBACZ-LBPRGKRZSA-N 1 1 262.353 3.463 20 5 CGBDMO Cc1ccoc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231884563 376575109 /nfs/dbraw/zinc/57/51/09/376575109.db2.gz KDGVZKZBGFEKLV-UHFFFAOYSA-N 1 1 260.293 3.094 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@H]1CCCO1 ZINC000245513439 376840357 /nfs/dbraw/zinc/84/03/57/376840357.db2.gz AKJYZTBPUOEGGE-TZMCWYRMSA-N 1 1 278.352 3.075 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000245535459 376844626 /nfs/dbraw/zinc/84/46/26/376844626.db2.gz WSKLZTHAWGCIMH-AVGNSLFASA-N 1 1 278.352 3.073 20 5 CGBDMO Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000314234513 249095689 /nfs/dbraw/zinc/09/56/89/249095689.db2.gz XJXWJHPGRJHADO-NEPJUHHUSA-N 1 1 293.342 3.081 20 5 CGBDMO CC1(C)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCS1 ZINC000255056904 377729270 /nfs/dbraw/zinc/72/92/70/377729270.db2.gz SGJSFTNPBOCZEL-ALCCZGGFSA-N 1 1 292.404 3.435 20 5 CGBDMO Cc1ccc(C[N@H+]2CCCCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000342828290 377824675 /nfs/dbraw/zinc/82/46/75/377824675.db2.gz XLVGZHPDJQUBFA-OAHLLOKOSA-N 1 1 292.379 3.030 20 5 CGBDMO CC(C)[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000343320120 377951609 /nfs/dbraw/zinc/95/16/09/377951609.db2.gz PUDPJDFQBQUCFA-OAHLLOKOSA-N 1 1 278.352 3.094 20 5 CGBDMO CCc1ccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000268434947 378058926 /nfs/dbraw/zinc/05/89/26/378058926.db2.gz BMQLZRKGSSAYPA-UHFFFAOYSA-N 1 1 290.319 3.049 20 5 CGBDMO CC(C)(C)[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269651721 378248956 /nfs/dbraw/zinc/24/89/56/378248956.db2.gz MOEZQFIUOHDSCS-CABCVRRESA-N 1 1 292.379 3.139 20 5 CGBDMO CC(C)OCCC[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000271205319 378484370 /nfs/dbraw/zinc/48/43/70/378484370.db2.gz RMWPZEFIVPEIIP-RMKNXTFCSA-N 1 1 292.379 3.355 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@H](c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000374004067 379357912 /nfs/dbraw/zinc/35/79/12/379357912.db2.gz UQBGXJIBBCJJDM-AWEZNQCLSA-N 1 1 286.331 3.486 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCC(F)(F)F ZINC000349965154 379461182 /nfs/dbraw/zinc/46/11/82/379461182.db2.gz FHOYSALWOUUJHZ-UHFFFAOYSA-N 1 1 276.258 3.287 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCC(F)(F)F ZINC000349965154 379461187 /nfs/dbraw/zinc/46/11/87/379461187.db2.gz FHOYSALWOUUJHZ-UHFFFAOYSA-N 1 1 276.258 3.287 20 5 CGBDMO CO[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000374650433 379472887 /nfs/dbraw/zinc/47/28/87/379472887.db2.gz XSVHDLGAUJFFOJ-IUODEOHRSA-N 1 1 278.352 3.157 20 5 CGBDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000280163809 379626003 /nfs/dbraw/zinc/62/60/03/379626003.db2.gz FMEQERFMFJGQBW-HNNXBMFYSA-N 1 1 296.342 3.125 20 5 CGBDMO COc1cc(C[N@@H+](C(C)C)C2CCC2)ccc1[N+](=O)[O-] ZINC000352784910 379958632 /nfs/dbraw/zinc/95/86/32/379958632.db2.gz SJAPDOYAGOKJDJ-UHFFFAOYSA-N 1 1 278.352 3.366 20 5 CGBDMO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000353935315 380243636 /nfs/dbraw/zinc/24/36/36/380243636.db2.gz UJDFXYOPOKQNCK-RISCZKNCSA-N 1 1 298.408 3.292 20 5 CGBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000353935315 380243640 /nfs/dbraw/zinc/24/36/40/380243640.db2.gz UJDFXYOPOKQNCK-RISCZKNCSA-N 1 1 298.408 3.292 20 5 CGBDMO CC[N@@H+](CCC1CC1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000355046870 380570220 /nfs/dbraw/zinc/57/02/20/380570220.db2.gz ZWWXVHRVYJUFNT-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000355114266 380580640 /nfs/dbraw/zinc/58/06/40/380580640.db2.gz UKKXXAXDYUZHLU-HZMBPMFUSA-N 1 1 264.300 3.108 20 5 CGBDMO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC1CCC1 ZINC000355605258 380725476 /nfs/dbraw/zinc/72/54/76/380725476.db2.gz IRTBESWCTHKGOQ-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000357551369 381205579 /nfs/dbraw/zinc/20/55/79/381205579.db2.gz HZMWPAOSXHOZJS-KOLCDFICSA-N 1 1 254.355 3.419 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000357670000 381241877 /nfs/dbraw/zinc/24/18/77/381241877.db2.gz ZHUGAGNRHBPMOV-CQSZACIVSA-N 1 1 289.379 3.332 20 5 CGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000360469883 381553962 /nfs/dbraw/zinc/55/39/62/381553962.db2.gz YAZYQEZHSARGRT-BXUZGUMPSA-N 1 1 278.352 3.224 20 5 CGBDMO CC(C)[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361421821 381742079 /nfs/dbraw/zinc/74/20/79/381742079.db2.gz WRDJEQBOOMOBIO-ZDUSSCGKSA-N 1 1 298.770 3.248 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@@H](C)C(C)C)c([N+](=O)[O-])cc1F ZINC000361616818 381839423 /nfs/dbraw/zinc/83/94/23/381839423.db2.gz PZOVFUMMCNMQEF-JTQLQIEISA-N 1 1 284.331 3.219 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)cs1 ZINC000353746260 220296879 /nfs/dbraw/zinc/29/68/79/220296879.db2.gz BTUNXBYLYATWPI-CQSZACIVSA-N 1 1 296.392 3.049 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)cs1 ZINC000353746260 220296884 /nfs/dbraw/zinc/29/68/84/220296884.db2.gz BTUNXBYLYATWPI-CQSZACIVSA-N 1 1 296.392 3.049 20 5 CGBDMO CN(CC[N@@H+](C)C1CCCCC1)c1sccc1[N+](=O)[O-] ZINC000301974402 392605507 /nfs/dbraw/zinc/60/55/07/392605507.db2.gz AQWTYIXQHNAAJM-UHFFFAOYSA-N 1 1 297.424 3.357 20 5 CGBDMO Cc1cc(N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc(C)[nH+]1 ZINC000189479068 392805996 /nfs/dbraw/zinc/80/59/96/392805996.db2.gz DABYRUIPFQGWQQ-LLVKDONJSA-N 1 1 286.335 3.483 20 5 CGBDMO C[C@H]1CC[C@H]([N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000352420339 393201833 /nfs/dbraw/zinc/20/18/33/393201833.db2.gz BQXMTYQVBZSIAL-UWVGGRQHSA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000352420339 393201837 /nfs/dbraw/zinc/20/18/37/393201837.db2.gz BQXMTYQVBZSIAL-UWVGGRQHSA-N 1 1 284.306 3.493 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CC[C@H]([NH3+])C(C)C ZINC000420285542 393449658 /nfs/dbraw/zinc/44/96/58/393449658.db2.gz FBPVKKLLKLZDRL-BBRMVZONSA-N 1 1 293.411 3.269 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)C(C)C ZINC000430225545 393543482 /nfs/dbraw/zinc/54/34/82/393543482.db2.gz YIACDKXQFTUWIV-LBPRGKRZSA-N 1 1 280.368 3.470 20 5 CGBDMO C[C@@H]1CCSCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000429769295 393500462 /nfs/dbraw/zinc/50/04/62/393500462.db2.gz VISSXZRAPMBSQC-SNVBAGLBSA-N 1 1 284.356 3.061 20 5 CGBDMO C[C@@H]1CCSCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000429769295 393500466 /nfs/dbraw/zinc/50/04/66/393500466.db2.gz VISSXZRAPMBSQC-SNVBAGLBSA-N 1 1 284.356 3.061 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)C(C)C ZINC000430193091 393536229 /nfs/dbraw/zinc/53/62/29/393536229.db2.gz CZILXGMDSQYVFE-NSHDSACASA-N 1 1 266.341 3.080 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)=C[C@H](C)C1 ZINC000430258100 393550238 /nfs/dbraw/zinc/55/02/38/393550238.db2.gz BKVAGTGDQRVUNZ-LBPRGKRZSA-N 1 1 290.363 3.392 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000430258100 393550244 /nfs/dbraw/zinc/55/02/44/393550244.db2.gz BKVAGTGDQRVUNZ-LBPRGKRZSA-N 1 1 290.363 3.392 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421023929 393580357 /nfs/dbraw/zinc/58/03/57/393580357.db2.gz WUMZUVXAYKNAAQ-UONOGXRCSA-N 1 1 292.379 3.140 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000491185804 393670819 /nfs/dbraw/zinc/67/08/19/393670819.db2.gz IOQQLGRJYBAFNC-SMDDNHRTSA-N 1 1 260.337 3.388 20 5 CGBDMO Cc1[nH+]cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)c1C ZINC000292679681 397672193 /nfs/dbraw/zinc/67/21/93/397672193.db2.gz OWBAGEDBICRTLM-UHFFFAOYSA-N 1 1 299.252 3.475 20 5 CGBDMO COc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000075769412 165104203 /nfs/dbraw/zinc/10/42/03/165104203.db2.gz WSJGAGQLKZHGKW-KBPBESRZSA-N 1 1 290.363 3.368 20 5 CGBDMO C[N@@H+](CCCCCF)CCc1cccc([N+](=O)[O-])c1 ZINC000284886432 196150899 /nfs/dbraw/zinc/15/08/99/196150899.db2.gz TZUDXSJJSONCKS-UHFFFAOYSA-N 1 1 268.332 3.209 20 5 CGBDMO CSCC[C@H](C)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000126570720 287268215 /nfs/dbraw/zinc/26/82/15/287268215.db2.gz DJWJXLHLUNPBDW-LBPRGKRZSA-N 1 1 298.408 3.047 20 5 CGBDMO C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000044537586 175199842 /nfs/dbraw/zinc/19/98/42/175199842.db2.gz VKTKTMTWPYSTOG-JTQLQIEISA-N 1 1 283.759 3.002 20 5 CGBDMO CO[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC[C@@H]1C ZINC000189372161 270071351 /nfs/dbraw/zinc/07/13/51/270071351.db2.gz QXDVHYSATKFFMI-WOSRLPQWSA-N 1 1 292.379 3.321 20 5 CGBDMO CC[C@H](C)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000523607614 270109993 /nfs/dbraw/zinc/10/99/93/270109993.db2.gz LTWVIZVNUKNJCT-NSHDSACASA-N 1 1 250.342 3.381 20 5 CGBDMO COc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000532780095 270219336 /nfs/dbraw/zinc/21/93/36/270219336.db2.gz SMNJJIFITOPBMQ-CHWSQXEVSA-N 1 1 292.379 3.471 20 5 CGBDMO C[C@@H]1CCC(C)(C)[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000452016090 274284044 /nfs/dbraw/zinc/28/40/44/274284044.db2.gz WCTXYPDGUOIJFP-SNVBAGLBSA-N 1 1 288.351 3.234 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC(C)(C)C1 ZINC000395487918 288009577 /nfs/dbraw/zinc/00/95/77/288009577.db2.gz KIRGXZRHRZNCMV-UHFFFAOYSA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000549545515 289046206 /nfs/dbraw/zinc/04/62/06/289046206.db2.gz XPQJZUJATOWHGT-XFJVYGCCSA-N 1 1 290.363 3.311 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000549545515 289046208 /nfs/dbraw/zinc/04/62/08/289046208.db2.gz XPQJZUJATOWHGT-XFJVYGCCSA-N 1 1 290.363 3.311 20 5 CGBDMO CC(C)[C@@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000549996441 289063658 /nfs/dbraw/zinc/06/36/58/289063658.db2.gz CHPBJAZUMKNCGS-GFCCVEGCSA-N 1 1 278.352 3.168 20 5 CGBDMO CC(C)[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000549996442 289063728 /nfs/dbraw/zinc/06/37/28/289063728.db2.gz CHPBJAZUMKNCGS-LBPRGKRZSA-N 1 1 278.352 3.168 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](CC3CC3)C2)c(F)c1 ZINC000550405553 289075856 /nfs/dbraw/zinc/07/58/56/289075856.db2.gz SSQAOSLOAZEYOB-NSHDSACASA-N 1 1 296.317 3.495 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](CC3CC3)C2)c(F)c1 ZINC000550405553 289075859 /nfs/dbraw/zinc/07/58/59/289075859.db2.gz SSQAOSLOAZEYOB-NSHDSACASA-N 1 1 296.317 3.495 20 5 CGBDMO CCOc1cc(C[N@H+]2CCC23CCC3)ccc1[N+](=O)[O-] ZINC000571592613 322303021 /nfs/dbraw/zinc/30/30/21/322303021.db2.gz XQPYFZAETCNANG-UHFFFAOYSA-N 1 1 276.336 3.122 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000577570277 335370556 /nfs/dbraw/zinc/37/05/56/335370556.db2.gz SVXKBROQWXRKEA-NSHDSACASA-N 1 1 280.368 3.470 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000194271728 336011475 /nfs/dbraw/zinc/01/14/75/336011475.db2.gz DWUVGPVCBDFEMV-LLVKDONJSA-N 1 1 288.269 3.369 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000194271728 336011477 /nfs/dbraw/zinc/01/14/77/336011477.db2.gz DWUVGPVCBDFEMV-LLVKDONJSA-N 1 1 288.269 3.369 20 5 CGBDMO CC[C@@H](NCC1([NH+](C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000097928459 522821271 /nfs/dbraw/zinc/82/12/71/522821271.db2.gz CMXJUHAZYHGQRB-OAHLLOKOSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[N@@H+](CCC1CC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000355048489 528425610 /nfs/dbraw/zinc/42/56/10/528425610.db2.gz YMKVQKKIZGVOTF-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO CCCC[C@@H](CN)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423298272 528823199 /nfs/dbraw/zinc/82/31/99/528823199.db2.gz NVGAFZMJLOFZSN-OCCSQVGLSA-N 1 1 279.384 3.071 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000728289559 571799860 /nfs/dbraw/zinc/79/98/60/571799860.db2.gz OWWPMSRQPNMPLZ-CQSZACIVSA-N 1 1 278.327 3.498 20 5 CGBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000747076665 572907873 /nfs/dbraw/zinc/90/78/73/572907873.db2.gz QLPWMVJAYYBGCW-CQSZACIVSA-N 1 1 292.383 3.184 20 5 CGBDMO CCOc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000892622656 618877086 /nfs/dbraw/zinc/87/70/86/618877086.db2.gz PZGATVRUWXEEPJ-NSHDSACASA-N 1 1 290.319 3.437 20 5 CGBDMO CC[N@@H+](CCNc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000219982868 619079900 /nfs/dbraw/zinc/07/99/00/619079900.db2.gz BDSPURIAOLBIHP-UHFFFAOYSA-N 1 1 283.759 3.144 20 5 CGBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1C(F)F)[N@@H+](C)C1CC1 ZINC000220103407 619093484 /nfs/dbraw/zinc/09/34/84/619093484.db2.gz SBDJURVLMIEGND-SECBINFHSA-N 1 1 299.321 3.427 20 5 CGBDMO CCOc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000895832688 619894230 /nfs/dbraw/zinc/89/42/30/619894230.db2.gz HISUXYIFOYHJQB-UHFFFAOYSA-N 1 1 290.319 3.185 20 5 CGBDMO COc1ccc(CNc2ccc(C3CC3)c[nH+]2)cc1[N+](=O)[O-] ZINC000897712118 620421871 /nfs/dbraw/zinc/42/18/71/620421871.db2.gz KSIWSQCSQPOHMH-UHFFFAOYSA-N 1 1 299.330 3.488 20 5 CGBDMO C[N@@H+](Cc1ccccc1NCC[N+](=O)[O-])C1CCCCC1 ZINC000905295681 622055325 /nfs/dbraw/zinc/05/53/25/622055325.db2.gz VDZSUDUAZJQAFT-UHFFFAOYSA-N 1 1 291.395 3.140 20 5 CGBDMO CCC[C@H]1[C@H](C)CCC[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000173386617 623320588 /nfs/dbraw/zinc/32/05/88/623320588.db2.gz RSKQROZUWXMRCG-RISCZKNCSA-N 1 1 294.399 3.266 20 5 CGBDMO Cc1nn(C[N@@H+]2CCC[C@@H](C(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000153293938 623842356 /nfs/dbraw/zinc/84/23/56/623842356.db2.gz MQIAPCAKGLIHAJ-CQSZACIVSA-N 1 1 294.399 3.124 20 5 CGBDMO CC[N@@H+](CCc1ccccn1)Cc1ccccc1[N+](=O)[O-] ZINC000920256389 624463868 /nfs/dbraw/zinc/46/38/68/624463868.db2.gz DNYDBFDURXIODW-UHFFFAOYSA-N 1 1 285.347 3.054 20 5 CGBDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000839657670 626770495 /nfs/dbraw/zinc/77/04/95/626770495.db2.gz DTPXJEWIYQTDPK-SNVBAGLBSA-N 1 1 266.316 3.354 20 5 CGBDMO CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC(C)(C)C1 ZINC000839663797 626772398 /nfs/dbraw/zinc/77/23/98/626772398.db2.gz KRHAZPUMTKCBJM-OAHLLOKOSA-N 1 1 292.379 3.139 20 5 CGBDMO C[N@@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1CCC1 ZINC000774634135 628010303 /nfs/dbraw/zinc/01/03/03/628010303.db2.gz AAZZEPXYSAEGKK-UHFFFAOYSA-N 1 1 294.742 3.040 20 5 CGBDMO Cc1cc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000785836954 628890899 /nfs/dbraw/zinc/89/08/99/628890899.db2.gz JIHKQONQXBQREK-MNOVXSKESA-N 1 1 297.786 3.085 20 5 CGBDMO Cc1cc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000785836954 628890900 /nfs/dbraw/zinc/89/09/00/628890900.db2.gz JIHKQONQXBQREK-MNOVXSKESA-N 1 1 297.786 3.085 20 5 CGBDMO O=[N+]([O-])CC[N@H+]1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000791051604 629252884 /nfs/dbraw/zinc/25/28/84/629252884.db2.gz GMMIBUNWAJITTH-BLIJAFNYSA-N 1 1 274.364 3.221 20 5 CGBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC(C)(C)C1 ZINC000796530616 629796589 /nfs/dbraw/zinc/79/65/89/629796589.db2.gz IGAYJXHCJGIXLN-HUUCEWRRSA-N 1 1 292.379 3.139 20 5 CGBDMO Cc1cc(Cl)nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000800283129 630261479 /nfs/dbraw/zinc/26/14/79/630261479.db2.gz MRKQPJUFXYZNRK-UHFFFAOYSA-N 1 1 291.738 3.241 20 5 CGBDMO C[C@H]([NH2+]C1CC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872066850 633989705 /nfs/dbraw/zinc/98/97/05/633989705.db2.gz RXLUUSOMHAJOEI-ZETCQYMHSA-N 1 1 274.242 3.182 20 5 CGBDMO Cc1cnc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)s1 ZINC000873063109 634239486 /nfs/dbraw/zinc/23/94/86/634239486.db2.gz KJZPNHSQTVIBKK-UHFFFAOYSA-N 1 1 291.376 3.266 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H]1C1CC1 ZINC000877561513 635090796 /nfs/dbraw/zinc/09/07/96/635090796.db2.gz HRJXWKOMZNMJBA-HNNXBMFYSA-N 1 1 260.337 3.196 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000877630907 635122737 /nfs/dbraw/zinc/12/27/37/635122737.db2.gz CHASDZBVRDZRGD-OLZOCXBDSA-N 1 1 292.379 3.211 20 5 CGBDMO CC(C)O[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000843412945 635661400 /nfs/dbraw/zinc/66/14/00/635661400.db2.gz BYDASEDWJMFLIW-GFCCVEGCSA-N 1 1 298.770 3.248 20 5 CGBDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000843412945 635661403 /nfs/dbraw/zinc/66/14/03/635661403.db2.gz BYDASEDWJMFLIW-GFCCVEGCSA-N 1 1 298.770 3.248 20 5 CGBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000885931583 637318028 /nfs/dbraw/zinc/31/80/28/637318028.db2.gz VWOSRRKFMNDFQJ-MRXNPFEDSA-N 1 1 297.358 3.499 20 5 CGBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000885931583 637318034 /nfs/dbraw/zinc/31/80/34/637318034.db2.gz VWOSRRKFMNDFQJ-MRXNPFEDSA-N 1 1 297.358 3.499 20 5 CGBDMO CC[N@H+](Cc1ccc(C)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885968989 637336031 /nfs/dbraw/zinc/33/60/31/637336031.db2.gz HDASIHXVCWFSGT-UHFFFAOYSA-N 1 1 285.347 3.320 20 5 CGBDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885968989 637336034 /nfs/dbraw/zinc/33/60/34/637336034.db2.gz HDASIHXVCWFSGT-UHFFFAOYSA-N 1 1 285.347 3.320 20 5 CGBDMO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885977900 637340216 /nfs/dbraw/zinc/34/02/16/637340216.db2.gz NXZRRPKIUBDGDS-CQSZACIVSA-N 1 1 297.358 3.288 20 5 CGBDMO CC[C@H](C)[C@H](C)[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885989031 637344495 /nfs/dbraw/zinc/34/44/95/637344495.db2.gz UWBTVPWYJAHGPT-RYUDHWBXSA-N 1 1 277.368 3.389 20 5 CGBDMO CC1(C)CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000112695175 638109040 /nfs/dbraw/zinc/10/90/40/638109040.db2.gz BDACFMLRAJCWOJ-UHFFFAOYSA-N 1 1 288.351 3.024 20 5 CGBDMO C[C@@H](N[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000925727661 638584731 /nfs/dbraw/zinc/58/47/31/638584731.db2.gz BHNFBSSTNDQYOW-AGIUHOORSA-N 1 1 291.395 3.151 20 5 CGBDMO CC(C)([NH3+])CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000925737774 638590530 /nfs/dbraw/zinc/59/05/30/638590530.db2.gz KZZZKPFMVPZCAU-CQSZACIVSA-N 1 1 291.395 3.034 20 5 CGBDMO Cc1ccc(C[N@@H+]2CCCSC[C@H]2C)cc1[N+](=O)[O-] ZINC000934296533 639573816 /nfs/dbraw/zinc/57/38/16/639573816.db2.gz JPIRZVBMNQBIPQ-GFCCVEGCSA-N 1 1 280.393 3.231 20 5 CGBDMO CC[C@H]1C[C@H](C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254373773 806387665 /nfs/dbraw/zinc/38/76/65/806387665.db2.gz HJFXCVHDRHSIQB-WBMJQRKESA-N 1 1 290.363 3.116 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccncc1 ZINC001254552075 806449573 /nfs/dbraw/zinc/44/95/73/806449573.db2.gz JBGMQTDXVSKQQX-CYBMUJFWSA-N 1 1 285.347 3.053 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001254560709 806451653 /nfs/dbraw/zinc/45/16/53/806451653.db2.gz WRULJSPMEQREJU-BXUZGUMPSA-N 1 1 296.317 3.257 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001254560711 806451875 /nfs/dbraw/zinc/45/18/75/806451875.db2.gz WRULJSPMEQREJU-RISCZKNCSA-N 1 1 296.317 3.257 20 5 CGBDMO C[C@@H]1CCCCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601371 806458883 /nfs/dbraw/zinc/45/88/83/806458883.db2.gz YTWPFAZDVIDYGZ-WBMJQRKESA-N 1 1 274.364 3.327 20 5 CGBDMO C[N@@H+](CC1CC(F)(F)C1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602716 806459091 /nfs/dbraw/zinc/45/90/91/806459091.db2.gz IRNNMYULQNYFMA-AWEZNQCLSA-N 1 1 296.317 3.039 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccns1 ZINC000715978765 800157067 /nfs/dbraw/zinc/15/70/67/800157067.db2.gz PCNXXZRLYFXBFF-MRVPVSSYSA-N 1 1 281.312 3.041 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886830122 800546907 /nfs/dbraw/zinc/54/69/07/800546907.db2.gz MIWIMYMCCXRDHN-IOASZLSFSA-N 1 1 290.363 3.157 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(NCC[C@H]2CCC[N@H+](C)C2)c1F ZINC001165290194 806988879 /nfs/dbraw/zinc/98/88/79/806988879.db2.gz QAWSFELLPHACKQ-GFCCVEGCSA-N 1 1 295.358 3.186 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)C1 ZINC001169039040 807556944 /nfs/dbraw/zinc/55/69/44/807556944.db2.gz MTSWSTPWLSOXCC-BMFZPTHFSA-N 1 1 280.412 3.334 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)C1 ZINC001169039041 807557175 /nfs/dbraw/zinc/55/71/75/807557175.db2.gz MTSWSTPWLSOXCC-FVQBIDKESA-N 1 1 280.412 3.334 20 5 CGBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C ZINC001169285470 807623476 /nfs/dbraw/zinc/62/34/76/807623476.db2.gz WIUVABYCHIBBIH-OCCSQVGLSA-N 1 1 294.399 3.000 20 5 CGBDMO CC[C@H]1CCC[N@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170344401 807828224 /nfs/dbraw/zinc/82/82/24/807828224.db2.gz BTKQFROSSIKTSR-JSGCOSHPSA-N 1 1 292.379 3.409 20 5 CGBDMO CC[C@@H]1CCC[N@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170344400 807828739 /nfs/dbraw/zinc/82/87/39/807828739.db2.gz BTKQFROSSIKTSR-GXTWGEPZSA-N 1 1 292.379 3.409 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222767 808540027 /nfs/dbraw/zinc/54/00/27/808540027.db2.gz VMLAFGQCNNBQSI-NEPJUHHUSA-N 1 1 250.342 3.256 20 5 CGBDMO CC[C@H]1CCC[N@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173228407 808541232 /nfs/dbraw/zinc/54/12/32/808541232.db2.gz WFQOFCXTNRPPDV-OCCSQVGLSA-N 1 1 262.353 3.400 20 5 CGBDMO CC[N@@H+](Cc1cccnc1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173227065 808541624 /nfs/dbraw/zinc/54/16/24/808541624.db2.gz NIAHMIBFSGJXMV-AWEZNQCLSA-N 1 1 299.374 3.443 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCn2cccc2[C@@H]1C ZINC001173233743 808542475 /nfs/dbraw/zinc/54/24/75/808542475.db2.gz MYJGUGQFANKTKT-KBPBESRZSA-N 1 1 299.374 3.404 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCn2cccc2[C@@H]1C ZINC001173233743 808542477 /nfs/dbraw/zinc/54/24/77/808542477.db2.gz MYJGUGQFANKTKT-KBPBESRZSA-N 1 1 299.374 3.404 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001173228996 808542864 /nfs/dbraw/zinc/54/28/64/808542864.db2.gz PNGVOIAGDLUHKT-TYNCELHUSA-N 1 1 280.343 3.206 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001173233236 808543161 /nfs/dbraw/zinc/54/31/61/808543161.db2.gz UYWWPVIWZBKVSX-KYOSRNDESA-N 1 1 260.337 3.010 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC1(C)C ZINC001173230424 808543212 /nfs/dbraw/zinc/54/32/12/808543212.db2.gz YDGFLSIATWWYSB-GFCCVEGCSA-N 1 1 262.353 3.400 20 5 CGBDMO Cn1c[nH+]c2cccc(Nc3cc([N+](=O)[O-])ccc3F)c21 ZINC001175737262 809524761 /nfs/dbraw/zinc/52/47/61/809524761.db2.gz MOBICRIHHDAUKI-UHFFFAOYSA-N 1 1 286.266 3.364 20 5 CGBDMO CCC[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001176777284 809761089 /nfs/dbraw/zinc/76/10/89/809761089.db2.gz JHPCFBZELAIHMK-AWEZNQCLSA-N 1 1 262.353 3.402 20 5 CGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCC(C)(C)C ZINC001195499332 811263159 /nfs/dbraw/zinc/26/31/59/811263159.db2.gz URLXAGOYXWYCOR-UHFFFAOYSA-N 1 1 280.368 3.342 20 5 CGBDMO COc1cc(Nc2cccc([N+](=O)[O-])c2)[nH+]cc1C ZINC001204450448 812641940 /nfs/dbraw/zinc/64/19/40/812641940.db2.gz OYWWWNLIGNGUNL-UHFFFAOYSA-N 1 1 259.265 3.050 20 5 CGBDMO C[N@H+](Cc1ccc(O)c(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC001204472815 812651056 /nfs/dbraw/zinc/65/10/56/812651056.db2.gz ZUYNQYBZWRJOSN-UHFFFAOYSA-N 1 1 290.294 3.072 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC001204976749 812806928 /nfs/dbraw/zinc/80/69/28/812806928.db2.gz RYTQYOAZHHKMQV-INIZCTEOSA-N 1 1 292.379 3.068 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC001204976749 812806934 /nfs/dbraw/zinc/80/69/34/812806934.db2.gz RYTQYOAZHHKMQV-INIZCTEOSA-N 1 1 292.379 3.068 20 5 CGBDMO Cc1cn2cc(Nc3cc(F)cc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC001216482334 815837984 /nfs/dbraw/zinc/83/79/84/815837984.db2.gz HVQWKRCJLKPQKL-UHFFFAOYSA-N 1 1 286.266 3.434 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001228570371 817940054 /nfs/dbraw/zinc/94/00/54/817940054.db2.gz CFGMKUANBDQPNX-NHAGDIPZSA-N 1 1 290.363 3.216 20 5 CGBDMO CC[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001459982444 928729887 /nfs/dbraw/zinc/72/98/87/928729887.db2.gz GXDOTFSDOIFWRM-OCCSQVGLSA-N 1 1 262.353 3.258 20 5 CGBDMO Cc1ccc(N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001458125604 937452185 /nfs/dbraw/zinc/45/21/85/937452185.db2.gz FDIUELLTGNHPHH-KBPBESRZSA-N 1 1 291.395 3.436 20 5 CGBDMO CCC[C@]1(C)CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001459572722 937492268 /nfs/dbraw/zinc/49/22/68/937492268.db2.gz MNMJTCNRVGDFTG-OAHLLOKOSA-N 1 1 294.399 3.002 20 5 CGBDMO CC[NH+]1CC(Oc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC001230941187 932645798 /nfs/dbraw/zinc/64/57/98/932645798.db2.gz MZLMZERAWFPDJX-UHFFFAOYSA-N 1 1 298.342 3.345 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCCC2(C)C)c1 ZINC001307140568 932919219 /nfs/dbraw/zinc/91/92/19/932919219.db2.gz OBVJSQGFMAZCKN-UHFFFAOYSA-N 1 1 277.368 3.190 20 5 CGBDMO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H]1CC1(C)C ZINC001307963427 933026735 /nfs/dbraw/zinc/02/67/35/933026735.db2.gz XSYZSJINVPPZHM-SECBINFHSA-N 1 1 284.306 3.351 20 5 CGBDMO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H]1CC1(C)C ZINC001307963427 933026740 /nfs/dbraw/zinc/02/67/40/933026740.db2.gz XSYZSJINVPPZHM-SECBINFHSA-N 1 1 284.306 3.351 20 5 CGBDMO O=[N+]([O-])c1cccc(C[NH+]2CC(c3ccc(F)cc3)C2)c1 ZINC001328218789 935124640 /nfs/dbraw/zinc/12/46/40/935124640.db2.gz AXRTYGJNWOHIFN-UHFFFAOYSA-N 1 1 286.306 3.333 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(F)(C3CC3)CC2)c(F)c1 ZINC001473854223 937825134 /nfs/dbraw/zinc/82/51/34/937825134.db2.gz CESZTGDSZBSLCA-UHFFFAOYSA-N 1 1 296.317 3.448 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC=C(C)C1 ZINC001560790994 938275839 /nfs/dbraw/zinc/27/58/39/938275839.db2.gz XPBXOFSDXJEZCJ-UHFFFAOYSA-N 1 1 260.337 3.364 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CC2(CC(F)C2)C1 ZINC000590969288 346891914 /nfs/dbraw/zinc/89/19/14/346891914.db2.gz LMPCIUZNNKQDGM-HWKANZROSA-N 1 1 276.311 3.042 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C3CCC3)C2)cc1 ZINC000591061916 346897292 /nfs/dbraw/zinc/89/72/92/346897292.db2.gz NWTMLZYRYBQOML-CQSZACIVSA-N 1 1 260.337 3.217 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000591063442 346897964 /nfs/dbraw/zinc/89/79/64/346897964.db2.gz ZZFHIINHLKLSTG-CQSZACIVSA-N 1 1 290.363 3.225 20 5 CGBDMO CC(C)O[C@@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000592134142 346965682 /nfs/dbraw/zinc/96/56/82/346965682.db2.gz PXBFRNSMQLARAG-CHWSQXEVSA-N 1 1 278.352 3.155 20 5 CGBDMO CC(C)O[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000593055546 347033744 /nfs/dbraw/zinc/03/37/44/347033744.db2.gz LJWGVPXCHZMJLC-GFCCVEGCSA-N 1 1 296.342 3.123 20 5 CGBDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000593055546 347033747 /nfs/dbraw/zinc/03/37/47/347033747.db2.gz LJWGVPXCHZMJLC-GFCCVEGCSA-N 1 1 296.342 3.123 20 5 CGBDMO CC(C)[C@@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000063618943 345250185 /nfs/dbraw/zinc/25/01/85/345250185.db2.gz YLMBZLLBNHJJLN-NSHDSACASA-N 1 1 254.355 3.277 20 5 CGBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000074287803 345465143 /nfs/dbraw/zinc/46/51/43/345465143.db2.gz OJFRROQOVJAWAW-HOTGVXAUSA-N 1 1 292.379 3.029 20 5 CGBDMO Cc1[nH+]ccn1CCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000078333058 345600703 /nfs/dbraw/zinc/60/07/03/345600703.db2.gz ZCEYOSUHIUDWBT-UHFFFAOYSA-N 1 1 294.742 3.255 20 5 CGBDMO CC(C)[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000079196654 345633622 /nfs/dbraw/zinc/63/36/22/345633622.db2.gz UXLVGUJOWWASJL-UHFFFAOYSA-N 1 1 278.352 3.237 20 5 CGBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C)C1 ZINC000080652683 345681499 /nfs/dbraw/zinc/68/14/99/345681499.db2.gz UWDYTPWOMMYDIE-CQSZACIVSA-N 1 1 291.395 3.071 20 5 CGBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000080652676 345681603 /nfs/dbraw/zinc/68/16/03/345681603.db2.gz XBBNQXOKDZXDMW-CQSZACIVSA-N 1 1 291.395 3.071 20 5 CGBDMO CC[N@H+](Cc1ccoc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000102407715 345915593 /nfs/dbraw/zinc/91/55/93/345915593.db2.gz GBHKGBSMXGZYAV-UHFFFAOYSA-N 1 1 290.319 3.219 20 5 CGBDMO CC[N@@H+](Cc1ccoc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000102407715 345915596 /nfs/dbraw/zinc/91/55/96/345915596.db2.gz GBHKGBSMXGZYAV-UHFFFAOYSA-N 1 1 290.319 3.219 20 5 CGBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccoc1 ZINC000102407298 345916139 /nfs/dbraw/zinc/91/61/39/345916139.db2.gz PXWHDAUESGXYGB-UHFFFAOYSA-N 1 1 290.319 3.089 20 5 CGBDMO CC(C)[C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000140538091 346104291 /nfs/dbraw/zinc/10/42/91/346104291.db2.gz DRVSRZAWIFBFBV-OAHLLOKOSA-N 1 1 278.352 3.094 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593695044 347104474 /nfs/dbraw/zinc/10/44/74/347104474.db2.gz GDBJCDPHBJJROZ-CYBMUJFWSA-N 1 1 282.290 3.134 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595291599 347287191 /nfs/dbraw/zinc/28/71/91/347287191.db2.gz KBKZDRZKMPWGRC-SNVBAGLBSA-N 1 1 252.289 3.108 20 5 CGBDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595386382 347297800 /nfs/dbraw/zinc/29/78/00/347297800.db2.gz DZFSNWZIQLXMGG-CYBMUJFWSA-N 1 1 298.383 3.451 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595407620 347299355 /nfs/dbraw/zinc/29/93/55/347299355.db2.gz CLAUWRBXQJTKKR-GXFFZTMASA-N 1 1 266.316 3.497 20 5 CGBDMO Cc1noc(C[NH2+][C@H](C)c2cccc(C)c2C)c1[N+](=O)[O-] ZINC000595419150 347300018 /nfs/dbraw/zinc/30/00/18/347300018.db2.gz VSAWIJRUGNGCNG-LLVKDONJSA-N 1 1 289.335 3.359 20 5 CGBDMO C[C@@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595057521 347272628 /nfs/dbraw/zinc/27/26/28/347272628.db2.gz YRDDBPUYUFBJIL-OCCSQVGLSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595057521 347272629 /nfs/dbraw/zinc/27/26/29/347272629.db2.gz YRDDBPUYUFBJIL-OCCSQVGLSA-N 1 1 291.395 3.118 20 5 CGBDMO CCC[N@@H+]1CC[C@@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000595096897 347283145 /nfs/dbraw/zinc/28/31/45/347283145.db2.gz NSMPVXNAFZXTSH-ZIAGYGMSSA-N 1 1 291.395 3.038 20 5 CGBDMO CCC[N@H+]1CC[C@@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000595096897 347283147 /nfs/dbraw/zinc/28/31/47/347283147.db2.gz NSMPVXNAFZXTSH-ZIAGYGMSSA-N 1 1 291.395 3.038 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295623391 199591572 /nfs/dbraw/zinc/59/15/72/199591572.db2.gz ZKCDLTBLEVMZRY-IUODEOHRSA-N 1 1 292.379 3.139 20 5 CGBDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595464094 347307715 /nfs/dbraw/zinc/30/77/15/347307715.db2.gz GPFAJVVAJXBOSD-HNNXBMFYSA-N 1 1 296.342 3.125 20 5 CGBDMO Cc1noc(C[N@H+]2CC[C@@H](CC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595521619 347315164 /nfs/dbraw/zinc/31/51/64/347315164.db2.gz FXRANAFBTOZGSM-NSHDSACASA-N 1 1 281.356 3.149 20 5 CGBDMO Cc1ccc(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596309317 347414888 /nfs/dbraw/zinc/41/48/88/347414888.db2.gz YKKUTCFJPPDOIO-ZDUSSCGKSA-N 1 1 291.395 3.436 20 5 CGBDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000602441273 347958951 /nfs/dbraw/zinc/95/89/51/347958951.db2.gz WPAMHPHVMZVQMC-UHFFFAOYSA-N 1 1 274.242 3.208 20 5 CGBDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000602441273 347958956 /nfs/dbraw/zinc/95/89/56/347958956.db2.gz WPAMHPHVMZVQMC-UHFFFAOYSA-N 1 1 274.242 3.208 20 5 CGBDMO COc1cccc(C)c1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000602517147 347974385 /nfs/dbraw/zinc/97/43/85/347974385.db2.gz WEUYQOLDRJGSIL-UHFFFAOYSA-N 1 1 286.331 3.202 20 5 CGBDMO CC1(F)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602740522 348022227 /nfs/dbraw/zinc/02/22/27/348022227.db2.gz HMLPSFHVRZNJDW-UHFFFAOYSA-N 1 1 293.298 3.060 20 5 CGBDMO CC1(F)CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000602742533 348022448 /nfs/dbraw/zinc/02/24/48/348022448.db2.gz PXHZSWAMAXAILW-UHFFFAOYSA-N 1 1 270.279 3.058 20 5 CGBDMO CC(C)[N@@H+](C)CC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000603871446 348100779 /nfs/dbraw/zinc/10/07/79/348100779.db2.gz JFHIFWHYGHKJMJ-UHFFFAOYSA-N 1 1 291.395 3.151 20 5 CGBDMO CC(C)[C@H](C)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604012220 348106610 /nfs/dbraw/zinc/10/66/10/348106610.db2.gz NQNCJXXNFRXBAE-ZDUSSCGKSA-N 1 1 280.368 3.340 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2C2CC2)cc1 ZINC000609133639 348337148 /nfs/dbraw/zinc/33/71/48/348337148.db2.gz OMNDXKGZFGIAEJ-HNNXBMFYSA-N 1 1 260.337 3.012 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC3CC3)C2)c(Cl)c1 ZINC000609384306 348343291 /nfs/dbraw/zinc/34/32/91/348343291.db2.gz HRTYDMXJBVRBNW-NSHDSACASA-N 1 1 295.770 3.144 20 5 CGBDMO CC(C)C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000610410639 348381726 /nfs/dbraw/zinc/38/17/26/348381726.db2.gz SJINTSGMOBXVMM-CQSZACIVSA-N 1 1 262.353 3.463 20 5 CGBDMO Cc1ccc(C[N@@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000610951083 348411269 /nfs/dbraw/zinc/41/12/69/348411269.db2.gz VRGIDJKZNFAFGF-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1ccc(C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000610951083 348411270 /nfs/dbraw/zinc/41/12/70/348411270.db2.gz VRGIDJKZNFAFGF-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO C[N@@H+](CCCOC(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000610681247 348396177 /nfs/dbraw/zinc/39/61/77/348396177.db2.gz SRWSRQMSJXZCRV-UHFFFAOYSA-N 1 1 280.368 3.232 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351977747 219272112 /nfs/dbraw/zinc/27/21/12/219272112.db2.gz KKQAECZYECBPMW-LLVKDONJSA-N 1 1 266.341 3.224 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCc2ccccn2)C2CC2)c1 ZINC000153249229 188072147 /nfs/dbraw/zinc/07/21/47/188072147.db2.gz ZKRVVGIYZPFWJJ-UHFFFAOYSA-N 1 1 297.358 3.197 20 5 CGBDMO COC1(C)CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000271717553 191288568 /nfs/dbraw/zinc/28/85/68/191288568.db2.gz KIPRVVOLHSTVMI-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000301475799 201021447 /nfs/dbraw/zinc/02/14/47/201021447.db2.gz WIDUBYFYNJMPLT-GFCCVEGCSA-N 1 1 295.358 3.045 20 5 CGBDMO CC(C)C[N@H+]1CC[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342546150 216392893 /nfs/dbraw/zinc/39/28/93/216392893.db2.gz RWGAYXXTPMZDLS-GFCCVEGCSA-N 1 1 295.358 3.124 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCOC1 ZINC000342624012 216438438 /nfs/dbraw/zinc/43/84/38/216438438.db2.gz QMWDGYOGSXNKTG-HNNXBMFYSA-N 1 1 292.379 3.232 20 5 CGBDMO CCO[C@@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451541165 240321580 /nfs/dbraw/zinc/32/15/80/240321580.db2.gz LOSGCJCGFCCAQV-WOSRLPQWSA-N 1 1 292.379 3.403 20 5 CGBDMO COc1cc(C[N@H+]2[C@@H](C)CCC2(C)C)ccc1[N+](=O)[O-] ZINC000452006573 240394652 /nfs/dbraw/zinc/39/46/52/240394652.db2.gz LYPBIPMUHPMTDM-NSHDSACASA-N 1 1 278.352 3.366 20 5 CGBDMO Cc1ccc2c(c1)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000483338573 243278935 /nfs/dbraw/zinc/27/89/35/243278935.db2.gz QCTLECDIOBLLJU-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO COc1ccc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000042976068 369239780 /nfs/dbraw/zinc/23/97/80/369239780.db2.gz PEBNFLXJDACMOG-UHFFFAOYSA-N 1 1 286.331 3.235 20 5 CGBDMO C[N@@H+](CCc1ccccc1)Cc1csc([N+](=O)[O-])c1 ZINC000054175639 369497538 /nfs/dbraw/zinc/49/75/38/369497538.db2.gz LUBREOLVZSTJEZ-UHFFFAOYSA-N 1 1 276.361 3.331 20 5 CGBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)CC1CCCC1 ZINC000064014373 369650446 /nfs/dbraw/zinc/65/04/46/369650446.db2.gz WDDABLQDDBWOMQ-UHFFFAOYSA-N 1 1 254.355 3.278 20 5 CGBDMO COc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000076150405 369933112 /nfs/dbraw/zinc/93/31/12/369933112.db2.gz OZGUUTQJKOXKDP-RYUDHWBXSA-N 1 1 278.352 3.224 20 5 CGBDMO Cc1csc(C(C)(C)[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000116382146 370559568 /nfs/dbraw/zinc/55/95/68/370559568.db2.gz WQIBTATYXILGMG-UHFFFAOYSA-N 1 1 291.376 3.385 20 5 CGBDMO COCC[C@H]1CCCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000331646830 204040284 /nfs/dbraw/zinc/04/02/84/204040284.db2.gz NTYRXIAFZVFOMA-GFCCVEGCSA-N 1 1 298.408 3.295 20 5 CGBDMO CC[N@@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])cc1C ZINC000289830855 371834965 /nfs/dbraw/zinc/83/49/65/371834965.db2.gz ORVQQUTXLKDSCQ-UHFFFAOYSA-N 1 1 285.347 3.320 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000428457823 372210298 /nfs/dbraw/zinc/21/02/98/372210298.db2.gz KNVOLOZLOKBLSU-IUODEOHRSA-N 1 1 260.337 3.278 20 5 CGBDMO O=[N+]([O-])c1cccc(CNc2cccc(C3CC3)[nH+]2)c1 ZINC000293006079 372276386 /nfs/dbraw/zinc/27/63/86/372276386.db2.gz PHYDQUSVXCVDSP-UHFFFAOYSA-N 1 1 269.304 3.479 20 5 CGBDMO C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000294172127 372601597 /nfs/dbraw/zinc/60/15/97/372601597.db2.gz RNOVCFWKBPNFRT-MJVIPROJSA-N 1 1 286.335 3.148 20 5 CGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000353387837 220057827 /nfs/dbraw/zinc/05/78/27/220057827.db2.gz PYEAVXOYYGLRMP-UHFFFAOYSA-N 1 1 276.258 3.022 20 5 CGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CC1 ZINC000170908782 372680095 /nfs/dbraw/zinc/68/00/95/372680095.db2.gz XCHMHFBWSQNHLB-UHFFFAOYSA-N 1 1 278.352 3.366 20 5 CGBDMO C[C@H]1Cc2[nH+]cn(Cc3ccc([N+](=O)[O-])cc3)c2C[C@@H]1C ZINC000295724506 372888850 /nfs/dbraw/zinc/88/88/50/372888850.db2.gz HHAGJCMAHKHBSA-RYUDHWBXSA-N 1 1 285.347 3.210 20 5 CGBDMO CO[C@@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296154052 373038125 /nfs/dbraw/zinc/03/81/25/373038125.db2.gz UEFUVBQHKVDWAZ-SWLSCSKDSA-N 1 1 292.379 3.403 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000441452375 373016794 /nfs/dbraw/zinc/01/67/94/373016794.db2.gz UIOIWDSCRDZFGP-RTXFEEFZSA-N 1 1 260.337 3.244 20 5 CGBDMO C[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000174406122 373308225 /nfs/dbraw/zinc/30/82/25/373308225.db2.gz LHBZWJVNQPYTQI-VIFPVBQESA-N 1 1 254.717 3.233 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000448370754 373575444 /nfs/dbraw/zinc/57/54/44/373575444.db2.gz KONDCADSSMNIPA-OAHLLOKOSA-N 1 1 292.379 3.150 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000448370754 373575452 /nfs/dbraw/zinc/57/54/52/373575452.db2.gz KONDCADSSMNIPA-OAHLLOKOSA-N 1 1 292.379 3.150 20 5 CGBDMO Cc1cc(NCC[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301067936 373645335 /nfs/dbraw/zinc/64/53/35/373645335.db2.gz CVAHROUQHGWHIT-LBPRGKRZSA-N 1 1 277.368 3.047 20 5 CGBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000301250714 373712293 /nfs/dbraw/zinc/71/22/93/373712293.db2.gz MPBHZLYRLMOONB-LBPRGKRZSA-N 1 1 281.331 3.020 20 5 CGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000301123416 373669787 /nfs/dbraw/zinc/66/97/87/373669787.db2.gz ZQWJBYDGPIZFEK-CHWSQXEVSA-N 1 1 277.368 3.127 20 5 CGBDMO C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000301414340 373774438 /nfs/dbraw/zinc/77/44/38/373774438.db2.gz LKKXHRTWXKVHFM-MNOVXSKESA-N 1 1 297.786 3.167 20 5 CGBDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000449493288 373786366 /nfs/dbraw/zinc/78/63/66/373786366.db2.gz LCAIRIWUILOHCX-XJKSGUPXSA-N 1 1 292.379 3.150 20 5 CGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000449500599 373798359 /nfs/dbraw/zinc/79/83/59/373798359.db2.gz NXYGDPUZIMGOJS-AWEZNQCLSA-N 1 1 260.337 3.184 20 5 CGBDMO C[C@H]1C[C@H](N(C)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000302793559 373965447 /nfs/dbraw/zinc/96/54/47/373965447.db2.gz ZXHXQYJOGKGTMB-CMPLNLGQSA-N 1 1 297.786 3.167 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000305842844 374118984 /nfs/dbraw/zinc/11/89/84/374118984.db2.gz RQDLPMYGDDOAJR-IHRRRGAJSA-N 1 1 292.379 3.057 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000311878728 374259826 /nfs/dbraw/zinc/25/98/26/374259826.db2.gz MSJDYOANROGDHW-MNOVXSKESA-N 1 1 266.316 3.354 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nccn2C)cc1[N+](=O)[O-] ZINC000183317357 374402044 /nfs/dbraw/zinc/40/20/44/374402044.db2.gz JWADYWUIGIPUMH-RYUDHWBXSA-N 1 1 288.351 3.049 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330663249 374488993 /nfs/dbraw/zinc/48/89/93/374488993.db2.gz SWPQALYHOTUVJW-WCQYABFASA-N 1 1 278.352 3.366 20 5 CGBDMO CO[C@@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330973291 374492211 /nfs/dbraw/zinc/49/22/11/374492211.db2.gz GVABYGDOJRPVMF-AWEZNQCLSA-N 1 1 298.770 3.249 20 5 CGBDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330973291 374492221 /nfs/dbraw/zinc/49/22/21/374492221.db2.gz GVABYGDOJRPVMF-AWEZNQCLSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464690443 374892598 /nfs/dbraw/zinc/89/25/98/374892598.db2.gz QTNXUSCBGOZMBT-ZYHUDNBSSA-N 1 1 296.342 3.363 20 5 CGBDMO COc1ccc(F)cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000189205659 375339625 /nfs/dbraw/zinc/33/96/25/375339625.db2.gz BQBFEPDPPJZPMH-UHFFFAOYSA-N 1 1 290.294 3.032 20 5 CGBDMO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000507143591 375678951 /nfs/dbraw/zinc/67/89/51/375678951.db2.gz NLVDWSHDNCKMJM-UHFFFAOYSA-N 1 1 250.342 3.463 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000336809764 375961101 /nfs/dbraw/zinc/96/11/01/375961101.db2.gz GGMBEXWOYPGUGT-NSHDSACASA-N 1 1 266.316 3.356 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000336810632 375962820 /nfs/dbraw/zinc/96/28/20/375962820.db2.gz ISZMNBXRWORMCY-WDEREUQCSA-N 1 1 266.316 3.212 20 5 CGBDMO CC(C)C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000537628499 376184883 /nfs/dbraw/zinc/18/48/83/376184883.db2.gz NSFLGRGSHNWBBY-ZDUSSCGKSA-N 1 1 262.353 3.463 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000538711879 376258550 /nfs/dbraw/zinc/25/85/50/376258550.db2.gz CYRBAVDRDHMZOC-NSHDSACASA-N 1 1 280.368 3.470 20 5 CGBDMO Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000538725954 376260549 /nfs/dbraw/zinc/26/05/49/376260549.db2.gz IWTIYAPSSGXFJM-WCQYABFASA-N 1 1 262.353 3.381 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000540055781 376353705 /nfs/dbraw/zinc/35/37/05/376353705.db2.gz JNNCOGJYBCATNY-QWHCGFSZSA-N 1 1 278.352 3.237 20 5 CGBDMO CC1(C)[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000542932222 376592024 /nfs/dbraw/zinc/59/20/24/376592024.db2.gz QENLVAFRTHSQQT-TXEJJXNPSA-N 1 1 280.755 3.336 20 5 CGBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(F)F ZINC000559879594 377102705 /nfs/dbraw/zinc/10/27/05/377102705.db2.gz YRDVBMZQLWSWAF-JTQLQIEISA-N 1 1 272.295 3.161 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(F)ccc2F)cc1 ZINC000037668359 249002291 /nfs/dbraw/zinc/00/22/91/249002291.db2.gz ZDORJRWYRWGIDO-UHFFFAOYSA-N 1 1 278.258 3.163 20 5 CGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+](C2CC2)C2CCCC2)c1 ZINC000518106425 249275953 /nfs/dbraw/zinc/27/59/53/249275953.db2.gz DIWJBTNQPWXLKF-UHFFFAOYSA-N 1 1 290.363 3.381 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@@H](c3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000518674268 249284700 /nfs/dbraw/zinc/28/47/00/249284700.db2.gz PCDKPIABQLDPBR-MRXNPFEDSA-N 1 1 297.358 3.288 20 5 CGBDMO C[N@@H+](CC[C@@H]1CCCO1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000342603069 377684912 /nfs/dbraw/zinc/68/49/12/377684912.db2.gz XINSFFVUSBDYAP-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255424224 377758404 /nfs/dbraw/zinc/75/84/04/377758404.db2.gz NGZXHJFRAWOTEH-BXLSQVKPSA-N 1 1 260.337 3.481 20 5 CGBDMO C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000255470950 377760293 /nfs/dbraw/zinc/76/02/93/377760293.db2.gz MVZJAASWHRAVCT-XHSUHYBKSA-N 1 1 260.337 3.338 20 5 CGBDMO CCCC[N@@H+](C)C[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579338688 378151142 /nfs/dbraw/zinc/15/11/42/378151142.db2.gz APFWCFVRWCRVER-UONOGXRCSA-N 1 1 293.411 3.366 20 5 CGBDMO CCCCN(C)C[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579338688 378151146 /nfs/dbraw/zinc/15/11/46/378151146.db2.gz APFWCFVRWCRVER-UONOGXRCSA-N 1 1 293.411 3.366 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C)(F)C1 ZINC000347357135 378716271 /nfs/dbraw/zinc/71/62/71/378716271.db2.gz ROKGENOIBGENOO-GXFFZTMASA-N 1 1 252.289 3.090 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)(F)C1 ZINC000347357135 378716274 /nfs/dbraw/zinc/71/62/74/378716274.db2.gz ROKGENOIBGENOO-GXFFZTMASA-N 1 1 252.289 3.090 20 5 CGBDMO Cc1cccc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000348583130 378998713 /nfs/dbraw/zinc/99/87/13/378998713.db2.gz WMFCMPVIIQMNGN-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO Cc1cccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000348583130 378998721 /nfs/dbraw/zinc/99/87/21/378998721.db2.gz WMFCMPVIIQMNGN-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000278671815 194094659 /nfs/dbraw/zinc/09/46/59/194094659.db2.gz IGDQGADTMFBBQR-NSHDSACASA-N 1 1 288.269 3.369 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC2CCC1CC2 ZINC000371392421 379156910 /nfs/dbraw/zinc/15/69/10/379156910.db2.gz JCIBUXMOHLCKRQ-UHFFFAOYSA-N 1 1 264.300 3.108 20 5 CGBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000266946297 190292459 /nfs/dbraw/zinc/29/24/59/190292459.db2.gz YCCCYSOKZXOJAV-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000266946297 190292460 /nfs/dbraw/zinc/29/24/60/190292460.db2.gz YCCCYSOKZXOJAV-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@@H](C1CC1)[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000352694253 379912179 /nfs/dbraw/zinc/91/21/79/379912179.db2.gz VGVYKQRAWVQSQT-JTQLQIEISA-N 1 1 278.327 3.497 20 5 CGBDMO COc1cc(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000419372686 380818783 /nfs/dbraw/zinc/81/87/83/380818783.db2.gz MUHLATNPKLUTDN-QJPTWQEYSA-N 1 1 278.352 3.080 20 5 CGBDMO CCOc1cccc(NCC[N@@H+](CC)C(C)C)c1[N+](=O)[O-] ZINC000357239605 381080037 /nfs/dbraw/zinc/08/00/37/381080037.db2.gz PHDTVCPVYHVLPJ-UHFFFAOYSA-N 1 1 295.383 3.136 20 5 CGBDMO C[C@@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000360597263 381587864 /nfs/dbraw/zinc/58/78/64/381587864.db2.gz LJWTWCHGCPLDPX-LLVKDONJSA-N 1 1 266.316 3.356 20 5 CGBDMO COc1cc(C[N@H+]2CCCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000360614573 381593855 /nfs/dbraw/zinc/59/38/55/381593855.db2.gz SVGOIEIRCMVMSK-GFCCVEGCSA-N 1 1 278.352 3.225 20 5 CGBDMO CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC1CCC1 ZINC000361486553 381771152 /nfs/dbraw/zinc/77/11/52/381771152.db2.gz RIBKKQZIJXLDEG-UHFFFAOYSA-N 1 1 296.342 3.365 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+](CC1CC1)C1CCC1 ZINC000361578272 381815320 /nfs/dbraw/zinc/81/53/20/381815320.db2.gz OKZXRKHALDMJHJ-UHFFFAOYSA-N 1 1 278.327 3.498 20 5 CGBDMO CC[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281447206 195243211 /nfs/dbraw/zinc/24/32/11/195243211.db2.gz QJQVLNOELRLEFQ-IUODEOHRSA-N 1 1 278.352 3.157 20 5 CGBDMO C[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000071954248 392194756 /nfs/dbraw/zinc/19/47/56/392194756.db2.gz DVIPWDFHXAVLCO-RYUDHWBXSA-N 1 1 295.358 3.266 20 5 CGBDMO CC(C)n1ccnc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296816687 392564138 /nfs/dbraw/zinc/56/41/38/392564138.db2.gz VJWCLWXVZYNKDK-LBPRGKRZSA-N 1 1 288.351 3.223 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CC(C)C)C1 ZINC000466733618 393053888 /nfs/dbraw/zinc/05/38/88/393053888.db2.gz VQNNOGOGIBJCAQ-CYBMUJFWSA-N 1 1 292.379 3.471 20 5 CGBDMO CC(C)C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000466738285 393054187 /nfs/dbraw/zinc/05/41/87/393054187.db2.gz TULHZWWLHUZSGJ-AWEZNQCLSA-N 1 1 292.379 3.342 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000547947903 393160272 /nfs/dbraw/zinc/16/02/72/393160272.db2.gz SHAGGWIDSWPLNJ-LRDDRELGSA-N 1 1 290.363 3.075 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000547947903 393160275 /nfs/dbraw/zinc/16/02/75/393160275.db2.gz SHAGGWIDSWPLNJ-LRDDRELGSA-N 1 1 290.363 3.075 20 5 CGBDMO CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000470171747 393229372 /nfs/dbraw/zinc/22/93/72/393229372.db2.gz NYSNDRVEPOOTPA-FMIVXFBMSA-N 1 1 260.337 3.482 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000428457822 393463348 /nfs/dbraw/zinc/46/33/48/393463348.db2.gz KNVOLOZLOKBLSU-DOMZBBRYSA-N 1 1 260.337 3.278 20 5 CGBDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000429578705 393486533 /nfs/dbraw/zinc/48/65/33/393486533.db2.gz JMUSTVUPNCAFHJ-MNOVXSKESA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@H]1CC[C@@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000429601839 393492607 /nfs/dbraw/zinc/49/26/07/393492607.db2.gz WPVZOWITXUMMFY-QWHCGFSZSA-N 1 1 278.352 3.094 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)C1CCC1 ZINC000430199655 393538491 /nfs/dbraw/zinc/53/84/91/393538491.db2.gz DAYRURNKURMOGD-LLVKDONJSA-N 1 1 278.352 3.224 20 5 CGBDMO CC1=C[C@H](C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000430264722 393552589 /nfs/dbraw/zinc/55/25/89/393552589.db2.gz SLJSNGPOSMVMPY-LBPRGKRZSA-N 1 1 260.337 3.035 20 5 CGBDMO COc1cc(C[N@H+]2CC(C)=C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000430280516 393557735 /nfs/dbraw/zinc/55/77/35/393557735.db2.gz XWIBMDNFJZNMGW-JTQLQIEISA-N 1 1 294.326 3.141 20 5 CGBDMO COc1cc(C[N@@H+]2CC(C)=C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000430280516 393557740 /nfs/dbraw/zinc/55/77/40/393557740.db2.gz XWIBMDNFJZNMGW-JTQLQIEISA-N 1 1 294.326 3.141 20 5 CGBDMO C[C@H]1CC2(CCC2)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000432818348 393644537 /nfs/dbraw/zinc/64/45/37/393644537.db2.gz VHPPZFSKBKDKTB-NSHDSACASA-N 1 1 278.327 3.498 20 5 CGBDMO CC[C@@H]([NH2+][C@H](CN)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423535819 393671660 /nfs/dbraw/zinc/67/16/60/393671660.db2.gz YMXGPJFVMISOTH-HZPDHXFCSA-N 1 1 291.395 3.153 20 5 CGBDMO CC[C@@H]([NH2+][C@@H](C)c1ccncn1)c1cccc([N+](=O)[O-])c1 ZINC000453129747 394181824 /nfs/dbraw/zinc/18/18/24/394181824.db2.gz KNOMIGAOBAXEST-SMDDNHRTSA-N 1 1 286.335 3.187 20 5 CGBDMO CC[C@H](C)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089911919 165220357 /nfs/dbraw/zinc/22/03/57/165220357.db2.gz BHYNKXDWXZMLGM-NSHDSACASA-N 1 1 289.335 3.480 20 5 CGBDMO Cc1ccc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000093500196 165328763 /nfs/dbraw/zinc/32/87/63/165328763.db2.gz VKWQACGFJMQDRA-RYUDHWBXSA-N 1 1 280.393 3.229 20 5 CGBDMO CCCC[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116269171 287156833 /nfs/dbraw/zinc/15/68/33/287156833.db2.gz SQBQZPZGMGWMOL-UHFFFAOYSA-N 1 1 256.733 3.480 20 5 CGBDMO CCCC[N@@H+](CCCO)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000183114187 270055063 /nfs/dbraw/zinc/05/50/63/270055063.db2.gz QHIJNHKLRJXDPL-AWEZNQCLSA-N 1 1 294.395 3.449 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC[N@H+](C)C(C)C ZINC000531944887 270211107 /nfs/dbraw/zinc/21/11/07/270211107.db2.gz AMMFJKTZRGXJCD-CQSZACIVSA-N 1 1 293.411 3.284 20 5 CGBDMO Cc1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)on1 ZINC000192830741 274697176 /nfs/dbraw/zinc/69/71/76/274697176.db2.gz HJUAUFLPEBBCBC-OAHLLOKOSA-N 1 1 287.319 3.058 20 5 CGBDMO CC[N@@H+](C[C@@H]1CCCO1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000270768947 276136412 /nfs/dbraw/zinc/13/64/12/276136412.db2.gz LCJGRHOXHLUBMZ-OLZOCXBDSA-N 1 1 278.352 3.157 20 5 CGBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000354355548 276394339 /nfs/dbraw/zinc/39/43/39/276394339.db2.gz VNGIROIMEZMROV-WCQYABFASA-N 1 1 295.358 3.043 20 5 CGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000399562051 288052652 /nfs/dbraw/zinc/05/26/52/288052652.db2.gz LWNDTSBUTZOTRE-PWSUYJOCSA-N 1 1 266.316 3.354 20 5 CGBDMO Cc1ccccc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533801616 288394938 /nfs/dbraw/zinc/39/49/38/288394938.db2.gz HONDYQKLICNITH-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000543592621 288811403 /nfs/dbraw/zinc/81/14/03/288811403.db2.gz VMKIHVCXIZOWPE-SMDDNHRTSA-N 1 1 288.351 3.130 20 5 CGBDMO C[C@H]1CCC(C)(C)[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000451999618 290367988 /nfs/dbraw/zinc/36/79/88/290367988.db2.gz AVURKGGKSCTESW-JTQLQIEISA-N 1 1 266.316 3.497 20 5 CGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](CC3CC3)C2)cc1 ZINC000580531040 335104769 /nfs/dbraw/zinc/10/47/69/335104769.db2.gz PRUIGDUJKKUPMW-CQSZACIVSA-N 1 1 290.363 3.096 20 5 CGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccc(O)c1 ZINC000383621540 336115661 /nfs/dbraw/zinc/11/56/61/336115661.db2.gz HVHKIXRVXKHQQC-JTQLQIEISA-N 1 1 290.294 3.290 20 5 CGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000384261847 336123115 /nfs/dbraw/zinc/12/31/15/336123115.db2.gz LNVMFJQSPINPQT-QMTHXVAHSA-N 1 1 266.316 3.354 20 5 CGBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000094774249 521685107 /nfs/dbraw/zinc/68/51/07/521685107.db2.gz DTDXVRJTJBGAQY-UHFFFAOYSA-N 1 1 252.289 3.108 20 5 CGBDMO COc1cc(C[N@H+]2CC(C)(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412041564 533797735 /nfs/dbraw/zinc/79/77/35/533797735.db2.gz LTCRUIFEOZFYLY-NSHDSACASA-N 1 1 278.352 3.224 20 5 CGBDMO Cc1c([C@@H](C)[NH2+][C@@H](CN)C2CCCC2)cccc1[N+](=O)[O-] ZINC000423499750 533949496 /nfs/dbraw/zinc/94/94/96/533949496.db2.gz JORXGUZBENBQCW-DOMZBBRYSA-N 1 1 291.395 3.071 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCc3sccc3C2)cc1 ZINC000049332449 527346902 /nfs/dbraw/zinc/34/69/02/527346902.db2.gz YBIXOIFKEPYERR-UHFFFAOYSA-N 1 1 288.372 3.257 20 5 CGBDMO CC(C)CCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352707756 527703618 /nfs/dbraw/zinc/70/36/18/527703618.db2.gz SPDMQBPVKZBUHT-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000745948101 572840809 /nfs/dbraw/zinc/84/08/09/572840809.db2.gz BKLUEQNJXIKMDG-GXFFZTMASA-N 1 1 266.316 3.354 20 5 CGBDMO CC(C)CCC(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1F ZINC000747832093 572950784 /nfs/dbraw/zinc/95/07/84/572950784.db2.gz LKCIBBTVZITPMB-UHFFFAOYSA-N 1 1 283.303 3.169 20 5 CGBDMO C[C@@H]1c2ccccc2C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750072655 573079043 /nfs/dbraw/zinc/07/90/43/573079043.db2.gz PWBAGJLSGFHAFB-PXAZEXFGSA-N 1 1 298.342 3.205 20 5 CGBDMO Cc1nn(C[N@H+](C)CC(C)(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000121205417 618071143 /nfs/dbraw/zinc/07/11/43/618071143.db2.gz KQYDFLFQNGROEP-UHFFFAOYSA-N 1 1 290.367 3.188 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCSC[C@@H]2C2CC2)cc1 ZINC000933916096 618377912 /nfs/dbraw/zinc/37/79/12/618377912.db2.gz OHRKTEYIQAMATH-OAHLLOKOSA-N 1 1 292.404 3.312 20 5 CGBDMO CC[N@@H+](CC(N)=O)Cc1c2ccccc2cc2ccccc21 ZINC000188072283 618686195 /nfs/dbraw/zinc/68/61/95/618686195.db2.gz CKYBYEOJIPMCOQ-UHFFFAOYSA-N 1 1 292.382 3.300 20 5 CGBDMO C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000111290737 619191283 /nfs/dbraw/zinc/19/12/83/619191283.db2.gz QSTTUNPEKDPCLW-JTQLQIEISA-N 1 1 299.321 3.286 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1C ZINC000816648869 625597155 /nfs/dbraw/zinc/59/71/55/625597155.db2.gz QDCICVSEFKTJIY-RKDXNWHRSA-N 1 1 254.717 3.088 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1C ZINC000816648869 625597166 /nfs/dbraw/zinc/59/71/66/625597166.db2.gz QDCICVSEFKTJIY-RKDXNWHRSA-N 1 1 254.717 3.088 20 5 CGBDMO CCCC[N@H+](CC[N+](=O)[O-])[C@H](C)c1ccc(C)o1 ZINC000929406428 623036859 /nfs/dbraw/zinc/03/68/59/623036859.db2.gz YVVZLOYETOIOTH-GFCCVEGCSA-N 1 1 254.330 3.028 20 5 CGBDMO CCCC[N@@H+](CC[N+](=O)[O-])[C@H](C)c1ccc(C)o1 ZINC000929406428 623036868 /nfs/dbraw/zinc/03/68/68/623036868.db2.gz YVVZLOYETOIOTH-GFCCVEGCSA-N 1 1 254.330 3.028 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC3(CCCC3)C2)cs1 ZINC000174271753 623378264 /nfs/dbraw/zinc/37/82/64/623378264.db2.gz WNEAIKJQKIHPPT-UHFFFAOYSA-N 1 1 266.366 3.422 20 5 CGBDMO CC[N@@H+](CC(C)C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000179543680 624663729 /nfs/dbraw/zinc/66/37/29/624663729.db2.gz TXRYHKRNWCYMKI-UHFFFAOYSA-N 1 1 290.367 3.188 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1C ZINC000752091457 626418819 /nfs/dbraw/zinc/41/88/19/626418819.db2.gz IIXPKGFAJYJWRD-NXEZZACHSA-N 1 1 268.744 3.479 20 5 CGBDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275052 628187803 /nfs/dbraw/zinc/18/78/03/628187803.db2.gz FSHMPIRBJGLTHG-WQVCFCJDSA-N 1 1 292.379 3.139 20 5 CGBDMO C[N@@H+](CC[C@H]1CCOC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000783514178 628720240 /nfs/dbraw/zinc/72/02/40/628720240.db2.gz MHWVSOWZZVGMTC-NSHDSACASA-N 1 1 298.770 3.107 20 5 CGBDMO CC1=CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783569101 628727157 /nfs/dbraw/zinc/72/71/57/628727157.db2.gz BXKITMVPNSKVJU-UHFFFAOYSA-N 1 1 266.728 3.400 20 5 CGBDMO CC1=CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783569101 628727160 /nfs/dbraw/zinc/72/71/60/628727160.db2.gz BXKITMVPNSKVJU-UHFFFAOYSA-N 1 1 266.728 3.400 20 5 CGBDMO CO[C@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1C ZINC000784364731 628809640 /nfs/dbraw/zinc/80/96/40/628809640.db2.gz HZAXRIMRVARJEM-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1C ZINC000784364731 628809642 /nfs/dbraw/zinc/80/96/42/628809642.db2.gz HZAXRIMRVARJEM-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO COCC(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000814178482 631539781 /nfs/dbraw/zinc/53/97/81/631539781.db2.gz RJMGIAFDJZFGGG-UHFFFAOYSA-N 1 1 286.759 3.105 20 5 CGBDMO CCC(F)(F)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866400040 633123286 /nfs/dbraw/zinc/12/32/86/633123286.db2.gz VMIUMBICYZVXCC-SECBINFHSA-N 1 1 290.285 3.300 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866581949 633201750 /nfs/dbraw/zinc/20/17/50/633201750.db2.gz FSGRGWJPEOGDEH-XBFCOCLRSA-N 1 1 292.404 3.341 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](CF)C1 ZINC000880299777 635969819 /nfs/dbraw/zinc/96/98/19/635969819.db2.gz XSYPUCAFHBIJDC-NEPJUHHUSA-N 1 1 266.316 3.256 20 5 CGBDMO C[C@H]1CCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000122997565 633539414 /nfs/dbraw/zinc/53/94/14/633539414.db2.gz FRVAWDVCEQRWQZ-VIFPVBQESA-N 1 1 299.168 3.342 20 5 CGBDMO C[C@H]1CCC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000122997565 633539415 /nfs/dbraw/zinc/53/94/15/633539415.db2.gz FRVAWDVCEQRWQZ-VIFPVBQESA-N 1 1 299.168 3.342 20 5 CGBDMO C[C@@H]([NH2+]CCC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872042835 633965834 /nfs/dbraw/zinc/96/58/34/633965834.db2.gz SZIJHJDBPHGLRG-SSDOTTSWSA-N 1 1 280.221 3.337 20 5 CGBDMO CCC(=O)CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539419 633973055 /nfs/dbraw/zinc/97/30/55/633973055.db2.gz RFJJGBGXYSUDFP-CQSZACIVSA-N 1 1 290.363 3.143 20 5 CGBDMO C[C@H]([NH2+]CCOC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872055968 633978751 /nfs/dbraw/zinc/97/87/51/633978751.db2.gz NCMYYRPYAAYTCX-JTQLQIEISA-N 1 1 284.331 3.200 20 5 CGBDMO C[C@@H]1OCC[C@@H]1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000878208003 635415045 /nfs/dbraw/zinc/41/50/45/635415045.db2.gz OZFUBCCOWANEOH-WDEREUQCSA-N 1 1 298.770 3.105 20 5 CGBDMO C[C@H]1OCC[C@@H]1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000878208000 635415434 /nfs/dbraw/zinc/41/54/34/635415434.db2.gz OZFUBCCOWANEOH-GHMZBOCLSA-N 1 1 298.770 3.105 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846112605 636145915 /nfs/dbraw/zinc/14/59/15/636145915.db2.gz SKIVKAMVLGHPMR-HLIIYUEKSA-N 1 1 294.301 3.195 20 5 CGBDMO CC[C@H]1CCCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886019157 637367342 /nfs/dbraw/zinc/36/73/42/637367342.db2.gz MPMQDODEIOWKFJ-ZDUSSCGKSA-N 1 1 263.341 3.144 20 5 CGBDMO CC(C)CC[C@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886044387 637384106 /nfs/dbraw/zinc/38/41/06/637384106.db2.gz WAIHEPPRGNXUGQ-CQSZACIVSA-N 1 1 277.368 3.390 20 5 CGBDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886043889 637384129 /nfs/dbraw/zinc/38/41/29/637384129.db2.gz LYKUCZZVUYGZTC-TZMCWYRMSA-N 1 1 277.368 3.390 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCC12CCC2 ZINC000851990503 637565819 /nfs/dbraw/zinc/56/58/19/637565819.db2.gz SVBYZFXUKGYKPY-UHFFFAOYSA-N 1 1 264.300 3.252 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000852220298 637619548 /nfs/dbraw/zinc/61/95/48/637619548.db2.gz MBBISEDNJSLASC-GWCFXTLKSA-N 1 1 264.300 3.108 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000852220298 637619553 /nfs/dbraw/zinc/61/95/53/637619553.db2.gz MBBISEDNJSLASC-GWCFXTLKSA-N 1 1 264.300 3.108 20 5 CGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CC1(C)C ZINC000852773065 637709733 /nfs/dbraw/zinc/70/97/33/637709733.db2.gz VNORKDRTVUGYFZ-LLVKDONJSA-N 1 1 266.316 3.212 20 5 CGBDMO C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000929162905 638904183 /nfs/dbraw/zinc/90/41/83/638904183.db2.gz VTMXHQSAQYRSDP-WDNDVIMCSA-N 1 1 292.379 3.230 20 5 CGBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)CC[N@H+]1C ZINC000158432392 640005288 /nfs/dbraw/zinc/00/52/88/640005288.db2.gz AUVZPQAAGVOTAA-NXEZZACHSA-N 1 1 299.321 3.427 20 5 CGBDMO CC[C@H](C)[N@@H+](Cc1ccccc1)Cn1nccc1[N+](=O)[O-] ZINC000193394373 640455625 /nfs/dbraw/zinc/45/56/25/640455625.db2.gz AHPIWJHOPWVZSX-ZDUSSCGKSA-N 1 1 288.351 3.050 20 5 CGBDMO CC[C@H](C)[N@H+](Cc1ccccc1)Cn1nccc1[N+](=O)[O-] ZINC000193394373 640455628 /nfs/dbraw/zinc/45/56/28/640455628.db2.gz AHPIWJHOPWVZSX-ZDUSSCGKSA-N 1 1 288.351 3.050 20 5 CGBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000094774246 640802589 /nfs/dbraw/zinc/80/25/89/640802589.db2.gz GYPSUTFLWKGFCO-UHFFFAOYSA-N 1 1 254.305 3.354 20 5 CGBDMO CC[NH2+]Cc1cccc(Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC001159956079 806204192 /nfs/dbraw/zinc/20/41/92/806204192.db2.gz FIUNTUIDDPINSA-UHFFFAOYSA-N 1 1 287.319 3.154 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccn1 ZINC001254550133 806448325 /nfs/dbraw/zinc/44/83/25/806448325.db2.gz DFMQSPRBOLPBLP-CYBMUJFWSA-N 1 1 285.347 3.053 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC001254550556 806448465 /nfs/dbraw/zinc/44/84/65/806448465.db2.gz LRYIYPQUYKQCOS-QWHCGFSZSA-N 1 1 262.353 3.400 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C(C)(C)C ZINC001254562582 806452002 /nfs/dbraw/zinc/45/20/02/806452002.db2.gz NMVFWNKCNGPUDO-LLVKDONJSA-N 1 1 250.342 3.256 20 5 CGBDMO C[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000694910317 799824473 /nfs/dbraw/zinc/82/44/73/799824473.db2.gz DXBQLBQEGVCFGI-MNOVXSKESA-N 1 1 298.770 3.248 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000694910317 799824481 /nfs/dbraw/zinc/82/44/81/799824481.db2.gz DXBQLBQEGVCFGI-MNOVXSKESA-N 1 1 298.770 3.248 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CCF)C2)cc1F ZINC000701925152 799898199 /nfs/dbraw/zinc/89/81/99/799898199.db2.gz PJFPEBAXMIGHBI-LLVKDONJSA-N 1 1 284.306 3.306 20 5 CGBDMO C[N@@H+](CCCF)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000716638879 800177819 /nfs/dbraw/zinc/17/78/19/800177819.db2.gz CDRDLJNBHZJXJR-UHFFFAOYSA-N 1 1 260.696 3.040 20 5 CGBDMO C[N@@H+](Cc1ccccc1Cl)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169027822 807554917 /nfs/dbraw/zinc/55/49/17/807554917.db2.gz QUBCKPAYELYQGG-YPMHNXCESA-N 1 1 282.771 3.217 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCc3cc(Cl)ccc3C2)C1 ZINC001169036397 807555882 /nfs/dbraw/zinc/55/58/82/807555882.db2.gz OBXZNSBUYPYZKQ-ABAIWWIYSA-N 1 1 294.782 3.144 20 5 CGBDMO C[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037250 807556165 /nfs/dbraw/zinc/55/61/65/807556165.db2.gz RLPMAMDYRJDYPX-JSGCOSHPSA-N 1 1 282.771 3.217 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)C1 ZINC001169039775 807556850 /nfs/dbraw/zinc/55/68/50/807556850.db2.gz TUDIIPINMGDZNM-XPKDYRNWSA-N 1 1 292.354 3.060 20 5 CGBDMO CC(C)C[N@@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226703 808541174 /nfs/dbraw/zinc/54/11/74/808541174.db2.gz NMMUNJJNKWXHKG-GFCCVEGCSA-N 1 1 250.342 3.114 20 5 CGBDMO CCCO[C@@H]1CC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173225734 808541218 /nfs/dbraw/zinc/54/12/18/808541218.db2.gz FRGUDFBKVIFGPH-CZUORRHYSA-N 1 1 292.379 3.027 20 5 CGBDMO CC[N@@H+](Cc1ccncc1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226107 808541881 /nfs/dbraw/zinc/54/18/81/808541881.db2.gz LBSXVUPNBBXUCQ-AWEZNQCLSA-N 1 1 299.374 3.443 20 5 CGBDMO CC[N@@H+](Cc1ccccn1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173232897 808542619 /nfs/dbraw/zinc/54/26/19/808542619.db2.gz JBDYFUNSBKSNEO-CQSZACIVSA-N 1 1 299.374 3.443 20 5 CGBDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC001191788944 810740285 /nfs/dbraw/zinc/74/02/85/810740285.db2.gz BVFFOCBFGHWEKU-GXTWGEPZSA-N 1 1 294.399 3.000 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC001195289373 811236909 /nfs/dbraw/zinc/23/69/09/811236909.db2.gz MAKVVOYLOQLAHS-QJPTWQEYSA-N 1 1 278.352 3.080 20 5 CGBDMO Cc1cccc2[nH+]cc(Nc3ccc(F)cc3[N+](=O)[O-])n21 ZINC001210955937 814691755 /nfs/dbraw/zinc/69/17/55/814691755.db2.gz PFZWVLZZFQPUFY-UHFFFAOYSA-N 1 1 286.266 3.434 20 5 CGBDMO Cc1ccc(CO[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001223227095 816592254 /nfs/dbraw/zinc/59/22/54/816592254.db2.gz ZWNWLFWSSFNRSH-HNNXBMFYSA-N 1 1 292.379 3.293 20 5 CGBDMO C[NH+]1CC(OCc2c3ccccc3nc3ccccc32)C1 ZINC001223331603 816606822 /nfs/dbraw/zinc/60/68/22/816606822.db2.gz MMFXUEDZEQDNFH-UHFFFAOYSA-N 1 1 278.355 3.219 20 5 CGBDMO C[N@H+]1CC[C@H](Oc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001225973113 817235251 /nfs/dbraw/zinc/23/52/51/817235251.db2.gz OMJILEOJRWJBKV-KRWDZBQOSA-N 1 1 298.342 3.345 20 5 CGBDMO C[N@H+]1CC[C@H](Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C1 ZINC001226385676 817341819 /nfs/dbraw/zinc/34/18/19/817341819.db2.gz IVOGPDCMOCIUNY-HNNXBMFYSA-N 1 1 298.342 3.345 20 5 CGBDMO CC[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1C ZINC001459983903 937509215 /nfs/dbraw/zinc/50/92/15/937509215.db2.gz LVMSSBBQJGLLOE-MNOVXSKESA-N 1 1 288.351 3.092 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](C)C[C@@H]1C ZINC001461861816 937602674 /nfs/dbraw/zinc/60/26/74/937602674.db2.gz RJKGQLFCBFYEOM-PWSUYJOCSA-N 1 1 262.353 3.442 20 5 CGBDMO CC[N@H+]1CC[C@@H](Oc2cc(C)c(Cl)cc2[N+](=O)[O-])C1 ZINC001229976599 932515251 /nfs/dbraw/zinc/51/52/51/932515251.db2.gz ZURBKZGUGFACMU-SNVBAGLBSA-N 1 1 284.743 3.030 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)CCO1 ZINC001308165755 933062833 /nfs/dbraw/zinc/06/28/33/933062833.db2.gz CZHSKEQYYAQJLT-GHMZBOCLSA-N 1 1 298.770 3.248 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)CCO1 ZINC001308165755 933062837 /nfs/dbraw/zinc/06/28/37/933062837.db2.gz CZHSKEQYYAQJLT-GHMZBOCLSA-N 1 1 298.770 3.248 20 5 CGBDMO Cc1c(C[N@H+]2CCCC[C@@]23CCOC3)cccc1[N+](=O)[O-] ZINC001308167928 933063144 /nfs/dbraw/zinc/06/31/44/933063144.db2.gz YUCNQYZNKDRYKQ-INIZCTEOSA-N 1 1 290.363 3.048 20 5 CGBDMO C[C@H](N[C@@H]1CCCC[C@@H]1[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001322643609 934325162 /nfs/dbraw/zinc/32/51/62/934325162.db2.gz SHZUMUFELFFLGH-MAZHCROVSA-N 1 1 291.395 3.118 20 5 CGBDMO CCC[N@@H+](CC[N+](=O)[O-])[C@H](CC)c1ccccc1 ZINC001473126760 937793694 /nfs/dbraw/zinc/79/36/94/937793694.db2.gz ZPJXSFZTDOJTQU-CQSZACIVSA-N 1 1 250.342 3.126 20 5 CGBDMO CC(C)C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001330671481 935311699 /nfs/dbraw/zinc/31/16/99/935311699.db2.gz MZXDBWNTPLVSHW-UHFFFAOYSA-N 1 1 292.379 3.484 20 5 CGBDMO C=C/C=C/CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001559782527 938235645 /nfs/dbraw/zinc/23/56/45/938235645.db2.gz QFCDIKZRHXZFKH-SNAWJCMRSA-N 1 1 260.337 3.201 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)c1 ZINC001560224386 938247715 /nfs/dbraw/zinc/24/77/15/938247715.db2.gz WGDPKHMSUIPTGR-CVEARBPZSA-N 1 1 290.363 3.128 20 5 CGBDMO Cc1ccc(NCCC[N@H+](C)CC(C)C)c([N+](=O)[O-])c1 ZINC001163657361 958838236 /nfs/dbraw/zinc/83/82/36/958838236.db2.gz WILARZXJPPMUKZ-UHFFFAOYSA-N 1 1 279.384 3.293 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccncc1F ZINC000337949008 214326826 /nfs/dbraw/zinc/32/68/26/214326826.db2.gz ZUUMUCHHRMKETG-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO CC(C)C[N@@H+](C)CCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000593181788 347048881 /nfs/dbraw/zinc/04/88/81/347048881.db2.gz IERQFMYQZFHNCW-CQSZACIVSA-N 1 1 293.411 3.223 20 5 CGBDMO CC(C)C[N@@H+](C)CCCNc1ccsc1[N+](=O)[O-] ZINC000593480163 347083986 /nfs/dbraw/zinc/08/39/86/347083986.db2.gz NMWLMFYKZPYZBX-UHFFFAOYSA-N 1 1 271.386 3.046 20 5 CGBDMO C[N@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000029843285 344920644 /nfs/dbraw/zinc/92/06/44/344920644.db2.gz KZRHWCHRBNGUSO-QGZVFWFLSA-N 1 1 297.358 3.088 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000050507896 345083399 /nfs/dbraw/zinc/08/33/99/345083399.db2.gz ZEIXJGHVSAQWSB-WFASDCNBSA-N 1 1 278.352 3.157 20 5 CGBDMO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000052607498 345105370 /nfs/dbraw/zinc/10/53/70/345105370.db2.gz RHXIGBLJRZPWLW-UHFFFAOYSA-N 1 1 292.379 3.294 20 5 CGBDMO COc1cccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000061759596 345233141 /nfs/dbraw/zinc/23/31/41/345233141.db2.gz SMQBKAUVKXEEAC-UHFFFAOYSA-N 1 1 286.331 3.235 20 5 CGBDMO COc1cccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000061759596 345233146 /nfs/dbraw/zinc/23/31/46/345233146.db2.gz SMQBKAUVKXEEAC-UHFFFAOYSA-N 1 1 286.331 3.235 20 5 CGBDMO C[C@H](CNc1ccsc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000063258481 345244667 /nfs/dbraw/zinc/24/46/67/345244667.db2.gz QHAWCQPBOCGUHF-GHMZBOCLSA-N 1 1 283.397 3.331 20 5 CGBDMO CC(C)(C)[N@H+]1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000063739814 345252857 /nfs/dbraw/zinc/25/28/57/345252857.db2.gz LHWXGRPJKBWQRQ-UHFFFAOYSA-N 1 1 295.358 3.045 20 5 CGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000065586820 345274597 /nfs/dbraw/zinc/27/45/97/345274597.db2.gz GOBQVVSIOIFLMR-NEPJUHHUSA-N 1 1 295.358 3.266 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000078658210 345617904 /nfs/dbraw/zinc/61/79/04/345617904.db2.gz SNXCNFGAOMKVRX-LLVKDONJSA-N 1 1 266.341 3.224 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C ZINC000083211450 345725128 /nfs/dbraw/zinc/72/51/28/345725128.db2.gz YPPCQPVVZWQRQH-GHMZBOCLSA-N 1 1 289.335 3.356 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172957308 346232184 /nfs/dbraw/zinc/23/21/84/346232184.db2.gz DTKSJFJAGOTCMB-HONMWMINSA-N 1 1 260.337 3.244 20 5 CGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000588977649 346779941 /nfs/dbraw/zinc/77/99/41/346779941.db2.gz FKFJUSXASSNYRX-AWEZNQCLSA-N 1 1 290.363 3.096 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](F)C1 ZINC000593698041 347105492 /nfs/dbraw/zinc/10/54/92/347105492.db2.gz ZKSLQXWTKCHIAN-ICDLMJIXSA-N 1 1 278.327 3.432 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](F)C1 ZINC000593698041 347105497 /nfs/dbraw/zinc/10/54/97/347105497.db2.gz ZKSLQXWTKCHIAN-ICDLMJIXSA-N 1 1 278.327 3.432 20 5 CGBDMO COc1c(C)cccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000594518291 347187299 /nfs/dbraw/zinc/18/72/99/347187299.db2.gz CPVQZHBQANIUPT-UHFFFAOYSA-N 1 1 286.331 3.202 20 5 CGBDMO COCc1csc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000594982937 347248550 /nfs/dbraw/zinc/24/85/50/347248550.db2.gz CZLCJERBFNPSOE-UHFFFAOYSA-N 1 1 298.389 3.154 20 5 CGBDMO Cc1noc(C[N@@H+](CC2CCCCC2)C2CC2)c1[N+](=O)[O-] ZINC000595293323 347287566 /nfs/dbraw/zinc/28/75/66/347287566.db2.gz KFFPUADVZTWCJW-UHFFFAOYSA-N 1 1 293.367 3.436 20 5 CGBDMO C[N@@H+](CCc1cccs1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595327336 347292337 /nfs/dbraw/zinc/29/23/37/347292337.db2.gz QAMMGOLYCYTZIM-UHFFFAOYSA-N 1 1 294.351 3.470 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595688452 347337079 /nfs/dbraw/zinc/33/70/79/347337079.db2.gz GZMXTKBUTBYFPJ-VBNZEHGJSA-N 1 1 290.363 3.014 20 5 CGBDMO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000595815676 347359386 /nfs/dbraw/zinc/35/93/86/347359386.db2.gz QEYQRWHLYOLIRZ-ZDUSSCGKSA-N 1 1 290.363 3.128 20 5 CGBDMO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000595815676 347359389 /nfs/dbraw/zinc/35/93/89/347359389.db2.gz QEYQRWHLYOLIRZ-ZDUSSCGKSA-N 1 1 290.363 3.128 20 5 CGBDMO COc1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000595565866 347320538 /nfs/dbraw/zinc/32/05/38/347320538.db2.gz DQBYSFNFOQCBPA-GWCFXTLKSA-N 1 1 294.326 3.117 20 5 CGBDMO COc1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000595565866 347320540 /nfs/dbraw/zinc/32/05/40/347320540.db2.gz DQBYSFNFOQCBPA-GWCFXTLKSA-N 1 1 294.326 3.117 20 5 CGBDMO O=[N+]([O-])c1ccsc1N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000596480520 347465618 /nfs/dbraw/zinc/46/56/18/347465618.db2.gz RCEQCNBGNAXHJP-LLVKDONJSA-N 1 1 295.408 3.475 20 5 CGBDMO C[C@@H]1CSCCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601121923 347872048 /nfs/dbraw/zinc/87/20/48/347872048.db2.gz RHHSGFWHXVOUCR-SNVBAGLBSA-N 1 1 289.360 3.085 20 5 CGBDMO Cc1nocc1C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000601142050 347875050 /nfs/dbraw/zinc/87/50/50/347875050.db2.gz LRIMSFOZGXGRFF-UHFFFAOYSA-N 1 1 289.335 3.304 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000601191703 347879265 /nfs/dbraw/zinc/87/92/65/347879265.db2.gz PVIWDPZSBHMGBB-SNVBAGLBSA-N 1 1 283.397 3.189 20 5 CGBDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602783674 348028490 /nfs/dbraw/zinc/02/84/90/348028490.db2.gz KEASKYDCLNMIQE-OCCSQVGLSA-N 1 1 294.399 3.000 20 5 CGBDMO C[C@H]([N@@H+](C)CCOc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000603873271 348100980 /nfs/dbraw/zinc/10/09/80/348100980.db2.gz GJSYDIDROFUYRM-LBPRGKRZSA-N 1 1 280.368 3.340 20 5 CGBDMO C[C@@H]([N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000603553598 348089337 /nfs/dbraw/zinc/08/93/37/348089337.db2.gz IGIOEUHDNGDZQH-LLVKDONJSA-N 1 1 250.342 3.461 20 5 CGBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCC1 ZINC000610580838 348391435 /nfs/dbraw/zinc/39/14/35/348391435.db2.gz SYGFQUROZGRJMQ-UHFFFAOYSA-N 1 1 275.308 3.110 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000610762793 348402709 /nfs/dbraw/zinc/40/27/09/348402709.db2.gz WATVYKLMRVPJNV-SWLSCSKDSA-N 1 1 290.363 3.366 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000610762793 348402710 /nfs/dbraw/zinc/40/27/10/348402710.db2.gz WATVYKLMRVPJNV-SWLSCSKDSA-N 1 1 290.363 3.366 20 5 CGBDMO CC[N@@H+](C[C@@H]1CCOC1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611204931 348428552 /nfs/dbraw/zinc/42/85/52/348428552.db2.gz BMYNDOZDQJBIEF-STQMWFEESA-N 1 1 278.352 3.014 20 5 CGBDMO CC[N@@H+](C[C@@H]1CCOC1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611204929 348428704 /nfs/dbraw/zinc/42/87/04/348428704.db2.gz BMYNDOZDQJBIEF-OLZOCXBDSA-N 1 1 278.352 3.014 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H]1C1CC1 ZINC000611268561 348433514 /nfs/dbraw/zinc/43/35/14/348433514.db2.gz PDFLRHPOXYDSHY-VFQAQYNWSA-N 1 1 272.348 3.482 20 5 CGBDMO CC(C)c1ccc(C[N@@H+](CCCO)C2CC2)cc1[N+](=O)[O-] ZINC000611271627 348434066 /nfs/dbraw/zinc/43/40/66/348434066.db2.gz ZAQDLEOEQCCEKX-UHFFFAOYSA-N 1 1 292.379 3.065 20 5 CGBDMO O=[N+]([O-])c1ccsc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000611412603 348448952 /nfs/dbraw/zinc/44/89/52/348448952.db2.gz CSHBAGHDVFSQBP-UHFFFAOYSA-N 1 1 295.408 3.111 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@H](C)[C@H](F)C2)cccc1[N+](=O)[O-] ZINC000611502098 348456987 /nfs/dbraw/zinc/45/69/87/348456987.db2.gz NBTNCEXCMJLYAK-GXFFZTMASA-N 1 1 266.316 3.083 20 5 CGBDMO Cc1c(C[N@@H+]2CC[C@H](C)[C@H](F)C2)cccc1[N+](=O)[O-] ZINC000611502098 348456989 /nfs/dbraw/zinc/45/69/89/348456989.db2.gz NBTNCEXCMJLYAK-GXFFZTMASA-N 1 1 266.316 3.083 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](CCO)C1 ZINC000611515996 348457929 /nfs/dbraw/zinc/45/79/29/348457929.db2.gz YMIRYBWVSFDBIQ-ZIAGYGMSSA-N 1 1 292.379 3.059 20 5 CGBDMO CCCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351978547 219273400 /nfs/dbraw/zinc/27/34/00/219273400.db2.gz VVXNRPVSDKAYAE-UHFFFAOYSA-N 1 1 266.341 3.225 20 5 CGBDMO Cc1ccc(C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])nc1 ZINC000616152139 348791281 /nfs/dbraw/zinc/79/12/81/348791281.db2.gz VIMYZPCWYSNNBN-FNORWQNLSA-N 1 1 297.358 3.443 20 5 CGBDMO CCn1ccc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000616785437 348877619 /nfs/dbraw/zinc/87/76/19/348877619.db2.gz SONUCXTUWHIWDR-UHFFFAOYSA-N 1 1 287.363 3.357 20 5 CGBDMO CC(C)[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000291737310 198074569 /nfs/dbraw/zinc/07/45/69/198074569.db2.gz JVUKZVITFRZWRL-ZDUSSCGKSA-N 1 1 298.770 3.248 20 5 CGBDMO CCOc1ccc([C@H](C)[NH2+]Cc2ccco2)cc1[N+](=O)[O-] ZINC000152547543 188028331 /nfs/dbraw/zinc/02/83/31/188028331.db2.gz PONSGTVKOPKFPU-NSHDSACASA-N 1 1 290.319 3.437 20 5 CGBDMO CC[N@H+](CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000155854376 188232049 /nfs/dbraw/zinc/23/20/49/188232049.db2.gz OVJLKXGFKWATMR-ZDUSSCGKSA-N 1 1 291.395 3.038 20 5 CGBDMO CC[N@@H+](CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000155854376 188232050 /nfs/dbraw/zinc/23/20/50/188232050.db2.gz OVJLKXGFKWATMR-ZDUSSCGKSA-N 1 1 291.395 3.038 20 5 CGBDMO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000271855653 191370075 /nfs/dbraw/zinc/37/00/75/191370075.db2.gz YIANERYNBAYYGO-NEPJUHHUSA-N 1 1 288.351 3.223 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccn(C)n2)cc1[N+](=O)[O-] ZINC000414099400 235335968 /nfs/dbraw/zinc/33/59/68/235335968.db2.gz UMWIDKQNCIMJHW-RYUDHWBXSA-N 1 1 288.351 3.049 20 5 CGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000426821398 236316162 /nfs/dbraw/zinc/31/61/62/236316162.db2.gz SHXBAFIWLLOGCX-OKILXGFUSA-N 1 1 290.363 3.096 20 5 CGBDMO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nn1C ZINC000297470118 200201579 /nfs/dbraw/zinc/20/15/79/200201579.db2.gz YMPJNRBXELCIKU-RYUDHWBXSA-N 1 1 288.351 3.049 20 5 CGBDMO C[C@]12CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]1C2(F)F ZINC000298245747 200370254 /nfs/dbraw/zinc/37/02/54/200370254.db2.gz JRCBLDHYPDBCEU-OLZOCXBDSA-N 1 1 282.290 3.072 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@]23CCOC3)c(Cl)c1 ZINC000341936629 216159333 /nfs/dbraw/zinc/15/93/33/216159333.db2.gz LZVJOZDFWIQQLK-CQSZACIVSA-N 1 1 296.754 3.003 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@]23CCOC3)c(Cl)c1 ZINC000341936629 216159335 /nfs/dbraw/zinc/15/93/35/216159335.db2.gz LZVJOZDFWIQQLK-CQSZACIVSA-N 1 1 296.754 3.003 20 5 CGBDMO Cc1ccc([C@H](C)NCC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000181844374 189307878 /nfs/dbraw/zinc/30/78/78/189307878.db2.gz PAWVDTJPXDPUGX-DZGCQCFKSA-N 1 1 291.395 3.038 20 5 CGBDMO CC(C)[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000119563981 370686717 /nfs/dbraw/zinc/68/67/17/370686717.db2.gz UYXRQDJCNOGDSC-UHFFFAOYSA-N 1 1 296.342 3.123 20 5 CGBDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183349041 189355952 /nfs/dbraw/zinc/35/59/52/189355952.db2.gz ITDCCBRQTTYJGA-AWEZNQCLSA-N 1 1 292.379 3.152 20 5 CGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000481392158 243191045 /nfs/dbraw/zinc/19/10/45/243191045.db2.gz RZBKULRNWUVLIW-SWLSCSKDSA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000037563117 369089238 /nfs/dbraw/zinc/08/92/38/369089238.db2.gz SLJYAYLQMOJJAR-VIFPVBQESA-N 1 1 278.333 3.213 20 5 CGBDMO CCOc1cc(C[N@@H+]2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000492725795 244013065 /nfs/dbraw/zinc/01/30/65/244013065.db2.gz YIJMHNNHGMVNAZ-UHFFFAOYSA-N 1 1 276.336 3.146 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cncc(F)c2)c(Cl)c1 ZINC000494404729 244285518 /nfs/dbraw/zinc/28/55/18/244285518.db2.gz KOYYKLDSDWFDBR-UHFFFAOYSA-N 1 1 295.701 3.072 20 5 CGBDMO Cc1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000049963548 369425346 /nfs/dbraw/zinc/42/53/46/369425346.db2.gz KCTMBTKQBGMGSJ-UHFFFAOYSA-N 1 1 297.767 3.303 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCc2ccsc2C1 ZINC000060194013 369585026 /nfs/dbraw/zinc/58/50/26/369585026.db2.gz IESAOSJMNQTMJJ-UHFFFAOYSA-N 1 1 274.345 3.215 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCc2ccsc2C1 ZINC000060194013 369585031 /nfs/dbraw/zinc/58/50/31/369585031.db2.gz IESAOSJMNQTMJJ-UHFFFAOYSA-N 1 1 274.345 3.215 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000060369986 369585468 /nfs/dbraw/zinc/58/54/68/369585468.db2.gz YLUFHUOBUZIKGM-MRXNPFEDSA-N 1 1 297.358 3.281 20 5 CGBDMO Cc1occc1C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000065603249 369683877 /nfs/dbraw/zinc/68/38/77/369683877.db2.gz PJERSZOSVKBPCO-UHFFFAOYSA-N 1 1 274.320 3.171 20 5 CGBDMO Cc1ccc([C@H](C)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000097929005 370257740 /nfs/dbraw/zinc/25/77/40/370257740.db2.gz IEVBXQNJCKDDMC-ZDUSSCGKSA-N 1 1 291.395 3.038 20 5 CGBDMO Cc1c(C[N@@H+](CCCO)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000112567896 370434367 /nfs/dbraw/zinc/43/43/67/370434367.db2.gz GNMRCIIORZQGIV-UHFFFAOYSA-N 1 1 294.395 3.134 20 5 CGBDMO CCc1cnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000130612861 371046665 /nfs/dbraw/zinc/04/66/65/371046665.db2.gz XZEFFZVRXRRXOD-JTQLQIEISA-N 1 1 291.376 3.465 20 5 CGBDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000135476599 371430907 /nfs/dbraw/zinc/43/09/07/371430907.db2.gz RXHBMBFAMFBBNU-LBPRGKRZSA-N 1 1 284.356 3.061 20 5 CGBDMO CC(C)OCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153240183 371759148 /nfs/dbraw/zinc/75/91/48/371759148.db2.gz OOZAKJWJVYPVOM-UHFFFAOYSA-N 1 1 292.379 3.374 20 5 CGBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCC1(F)F ZINC000289716836 371801420 /nfs/dbraw/zinc/80/14/20/371801420.db2.gz IGFKOADEDKUYNQ-VIFPVBQESA-N 1 1 288.269 3.211 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCC1(F)F ZINC000289716836 371801426 /nfs/dbraw/zinc/80/14/26/371801426.db2.gz IGFKOADEDKUYNQ-VIFPVBQESA-N 1 1 288.269 3.211 20 5 CGBDMO CCCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000289746802 371809339 /nfs/dbraw/zinc/80/93/39/371809339.db2.gz FDVPFCMQXXXWQY-GFCCVEGCSA-N 1 1 293.367 3.044 20 5 CGBDMO Cc1occc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344153914 217077947 /nfs/dbraw/zinc/07/79/47/217077947.db2.gz UZAYFLLFVMMNLX-UHFFFAOYSA-N 1 1 280.711 3.439 20 5 CGBDMO CC[C@@]1(C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000344224717 217107073 /nfs/dbraw/zinc/10/70/73/217107073.db2.gz WLJHDNYQBQWGKM-HNNXBMFYSA-N 1 1 289.335 3.358 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000428465379 372215535 /nfs/dbraw/zinc/21/55/35/372215535.db2.gz XCAPROAXORTLKK-SJPZSHDVSA-N 1 1 272.348 3.482 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000430880669 372400964 /nfs/dbraw/zinc/40/09/64/372400964.db2.gz ZBMMAQASYIUFMH-LLVKDONJSA-N 1 1 260.337 3.301 20 5 CGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@H+]2C2CC2)c(F)c1 ZINC000433810002 372636029 /nfs/dbraw/zinc/63/60/29/372636029.db2.gz CHBGNADKXRUQQT-CYBMUJFWSA-N 1 1 293.342 3.163 20 5 CGBDMO CC(C)[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000446717044 373345351 /nfs/dbraw/zinc/34/53/51/373345351.db2.gz PESDNVKFEMZUPG-CQSZACIVSA-N 1 1 262.353 3.115 20 5 CGBDMO Cc1c(C[N@@H+]2CC[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000446737632 373355597 /nfs/dbraw/zinc/35/55/97/373355597.db2.gz XYKHHHVKIQKAEF-CYBMUJFWSA-N 1 1 262.353 3.381 20 5 CGBDMO CCC[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000301121009 373667339 /nfs/dbraw/zinc/66/73/39/373667339.db2.gz XUCHJVZGVCQVIE-CYBMUJFWSA-N 1 1 277.368 3.047 20 5 CGBDMO Cc1cc(N[C@@H]2CC[N@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301390346 373769608 /nfs/dbraw/zinc/76/96/08/373769608.db2.gz GGYRZGUSWBYHDC-CQSZACIVSA-N 1 1 289.379 3.332 20 5 CGBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000311461458 374243483 /nfs/dbraw/zinc/24/34/83/374243483.db2.gz VUTQDUCEFNDECR-JTQLQIEISA-N 1 1 285.775 3.389 20 5 CGBDMO CC1(C)C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000312887412 374294545 /nfs/dbraw/zinc/29/45/45/374294545.db2.gz WCXSCEZYAZWYST-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO CC1(C)C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000312887412 374294549 /nfs/dbraw/zinc/29/45/49/374294549.db2.gz WCXSCEZYAZWYST-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO Cc1ccc(C)c(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000332500538 374579838 /nfs/dbraw/zinc/57/98/38/374579838.db2.gz CYKIATFHFWXCKN-UHFFFAOYSA-N 1 1 297.358 3.165 20 5 CGBDMO Cc1ccc(C)c(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000332500538 374579841 /nfs/dbraw/zinc/57/98/41/374579841.db2.gz CYKIATFHFWXCKN-UHFFFAOYSA-N 1 1 297.358 3.165 20 5 CGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H]1C ZINC000487990744 375292287 /nfs/dbraw/zinc/29/22/87/375292287.db2.gz RVNWHEACMXEXHL-CJNGLKHVSA-N 1 1 292.379 3.232 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(C)(C)C ZINC000541774376 376481692 /nfs/dbraw/zinc/48/16/92/376481692.db2.gz VWBFPEQZABOPCS-UHFFFAOYSA-N 1 1 250.342 3.381 20 5 CGBDMO Cc1c(CNc2[nH]c3ccccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000231868228 376572803 /nfs/dbraw/zinc/57/28/03/376572803.db2.gz KTMPCOBNCDHVKK-UHFFFAOYSA-N 1 1 282.303 3.392 20 5 CGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000543171875 376613960 /nfs/dbraw/zinc/61/39/60/376613960.db2.gz JSQIFMMCGDXVSZ-CQSZACIVSA-N 1 1 290.363 3.262 20 5 CGBDMO C[C@H](CNc1ccc(F)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000339003380 376622605 /nfs/dbraw/zinc/62/26/05/376622605.db2.gz PGKOANLQPDDROE-NWDGAFQWSA-N 1 1 295.358 3.409 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000544782215 376761173 /nfs/dbraw/zinc/76/11/73/376761173.db2.gz AZUWCXLBCBZSOV-GFCCVEGCSA-N 1 1 262.353 3.463 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@H]1CCCOC1 ZINC000245513325 376840043 /nfs/dbraw/zinc/84/00/43/376840043.db2.gz ACUQHHBQUZXZGH-UONOGXRCSA-N 1 1 292.379 3.323 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000245936704 376938183 /nfs/dbraw/zinc/93/81/83/376938183.db2.gz QERBFVXASQJVRU-GHMZBOCLSA-N 1 1 289.335 3.214 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000246070483 376961182 /nfs/dbraw/zinc/96/11/82/376961182.db2.gz CKXYSBIBAHAPKK-HUUCEWRRSA-N 1 1 292.404 3.455 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000246562289 377053957 /nfs/dbraw/zinc/05/39/57/377053957.db2.gz DONKBQNILSTOGJ-UWVGGRQHSA-N 1 1 254.355 3.277 20 5 CGBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000090794942 249029370 /nfs/dbraw/zinc/02/93/70/249029370.db2.gz ZGLODDDZDZXXCE-ZJUUUORDSA-N 1 1 283.759 3.143 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccccc1F ZINC000514719538 249186614 /nfs/dbraw/zinc/18/66/14/249186614.db2.gz IPNDPWDZFDYOML-UHFFFAOYSA-N 1 1 288.322 3.408 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000574080152 377616465 /nfs/dbraw/zinc/61/64/65/377616465.db2.gz QRNYJQRXOXFBNG-CHWSQXEVSA-N 1 1 290.363 3.299 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000574080152 377616476 /nfs/dbraw/zinc/61/64/76/377616476.db2.gz QRNYJQRXOXFBNG-CHWSQXEVSA-N 1 1 290.363 3.299 20 5 CGBDMO C[N@H+](CC[C@H]1CCCO1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000342600237 377683788 /nfs/dbraw/zinc/68/37/88/377683788.db2.gz KAXOOUNENOHNFL-LLVKDONJSA-N 1 1 298.770 3.249 20 5 CGBDMO C[N@@H+](CC[C@H]1CCCO1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000342600237 377683797 /nfs/dbraw/zinc/68/37/97/377683797.db2.gz KAXOOUNENOHNFL-LLVKDONJSA-N 1 1 298.770 3.249 20 5 CGBDMO CO[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1C ZINC000342716401 377750537 /nfs/dbraw/zinc/75/05/37/377750537.db2.gz DJYPZUBVZQHUGZ-IINYFYTJSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1C ZINC000342716401 377750547 /nfs/dbraw/zinc/75/05/47/377750547.db2.gz DJYPZUBVZQHUGZ-IINYFYTJSA-N 1 1 298.770 3.105 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000343956349 378142777 /nfs/dbraw/zinc/14/27/77/378142777.db2.gz DAUHJJOZBKHGQR-ZDUSSCGKSA-N 1 1 260.337 3.217 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000347585378 218280954 /nfs/dbraw/zinc/28/09/54/218280954.db2.gz UEWKONNRLGMQGT-NEPJUHHUSA-N 1 1 278.352 3.081 20 5 CGBDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000280233922 379650049 /nfs/dbraw/zinc/65/00/49/379650049.db2.gz JZMJJABMJYHYJI-INIZCTEOSA-N 1 1 292.379 3.294 20 5 CGBDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000280233924 379650785 /nfs/dbraw/zinc/65/07/85/379650785.db2.gz JZMJJABMJYHYJI-MRXNPFEDSA-N 1 1 292.379 3.294 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000378233000 379793095 /nfs/dbraw/zinc/79/30/95/379793095.db2.gz KKGMTUKAGCOUFY-BPLDGKMQSA-N 1 1 290.363 3.014 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000352545952 379853004 /nfs/dbraw/zinc/85/30/04/379853004.db2.gz NROQZSBHJZTZJI-ZIAGYGMSSA-N 1 1 290.363 3.368 20 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WUPXITWKWUJXBW-UHFFFAOYSA-N 1 1 254.355 3.278 20 5 CGBDMO CO[C@@H](CC(C)C)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419245418 380788463 /nfs/dbraw/zinc/78/84/63/380788463.db2.gz VSBSMMXXSDDCFW-INIZCTEOSA-N 1 1 292.379 3.014 20 5 CGBDMO C[C@@H]1CC[C@@H](C)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000362437481 381990148 /nfs/dbraw/zinc/99/01/48/381990148.db2.gz KCLXDZYEJWCBJU-CHWSQXEVSA-N 1 1 278.352 3.094 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)CC[C@H]1C ZINC000362435581 381991236 /nfs/dbraw/zinc/99/12/36/381991236.db2.gz DLYQAAQXYAQMFO-NWDGAFQWSA-N 1 1 278.352 3.224 20 5 CGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000350350855 219009910 /nfs/dbraw/zinc/00/99/10/219009910.db2.gz GYUBLEGEUUPZKZ-VURMDHGXSA-N 1 1 283.331 3.135 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCc3occc3C2)cc1 ZINC000288988874 197207000 /nfs/dbraw/zinc/20/70/00/197207000.db2.gz ZSYITJKSYUKOEV-UHFFFAOYSA-N 1 1 272.304 3.136 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCc3occc3C2)cc1 ZINC000288988874 197207002 /nfs/dbraw/zinc/20/70/02/197207002.db2.gz ZSYITJKSYUKOEV-UHFFFAOYSA-N 1 1 272.304 3.136 20 5 CGBDMO CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000281378705 195218172 /nfs/dbraw/zinc/21/81/72/195218172.db2.gz WCIMKZGIGWXRSK-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000281378705 195218173 /nfs/dbraw/zinc/21/81/73/195218173.db2.gz WCIMKZGIGWXRSK-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO COc1ccc(C[N@@H+](C)[C@H](C)C2CCC2)cc1[N+](=O)[O-] ZINC000357044827 542573937 /nfs/dbraw/zinc/57/39/37/542573937.db2.gz STXPKZVLGVBKMJ-LLVKDONJSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cn1 ZINC000359641179 533449643 /nfs/dbraw/zinc/44/96/43/533449643.db2.gz MRUBYLMHHPVCOX-SNVBAGLBSA-N 1 1 291.738 3.494 20 5 CGBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCCOC1 ZINC000107064456 392314927 /nfs/dbraw/zinc/31/49/27/392314927.db2.gz GAMNKECIEAIJRW-GFCCVEGCSA-N 1 1 298.770 3.107 20 5 CGBDMO CC(C)CC[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000158131240 392556191 /nfs/dbraw/zinc/55/61/91/392556191.db2.gz DCENVCCJHPKOGD-CQSZACIVSA-N 1 1 294.399 3.082 20 5 CGBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000505597652 392678404 /nfs/dbraw/zinc/67/84/04/392678404.db2.gz SMNGIMUYLQDQNF-UHFFFAOYSA-N 1 1 266.316 3.498 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000183288305 392756770 /nfs/dbraw/zinc/75/67/70/392756770.db2.gz BTXRLUGKSBYIFS-JKSUJKDBSA-N 1 1 290.363 3.047 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000183288305 392756774 /nfs/dbraw/zinc/75/67/74/392756774.db2.gz BTXRLUGKSBYIFS-JKSUJKDBSA-N 1 1 290.363 3.047 20 5 CGBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000179305226 392695649 /nfs/dbraw/zinc/69/56/49/392695649.db2.gz TZGHFLITGMMVRM-UHFFFAOYSA-N 1 1 272.304 3.449 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000547947904 393160227 /nfs/dbraw/zinc/16/02/27/393160227.db2.gz SHAGGWIDSWPLNJ-MLGOLLRUSA-N 1 1 290.363 3.075 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000547947904 393160230 /nfs/dbraw/zinc/16/02/30/393160230.db2.gz SHAGGWIDSWPLNJ-MLGOLLRUSA-N 1 1 290.363 3.075 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCO[C@H](C)C1 ZINC000470174738 393229589 /nfs/dbraw/zinc/22/95/89/393229589.db2.gz NAQYANWMNPWERK-KADHNRKRSA-N 1 1 290.363 3.109 20 5 CGBDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000475156375 393378125 /nfs/dbraw/zinc/37/81/25/393378125.db2.gz WOEDGADRASHLRR-UPJWGTAASA-N 1 1 262.353 3.461 20 5 CGBDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430213253 393541007 /nfs/dbraw/zinc/54/10/07/393541007.db2.gz SNFBAQDEMLQQBD-LBPRGKRZSA-N 1 1 298.408 3.177 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CC(C)C)C1CC1 ZINC000430193007 393535749 /nfs/dbraw/zinc/53/57/49/393535749.db2.gz CCCXABODJSALMT-UHFFFAOYSA-N 1 1 278.352 3.224 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000182593572 292296591 /nfs/dbraw/zinc/29/65/91/292296591.db2.gz WSKLZTHAWGCIMH-UPJWGTAASA-N 1 1 278.352 3.073 20 5 CGBDMO CCC[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000069092350 165051126 /nfs/dbraw/zinc/05/11/26/165051126.db2.gz NBQIYGLPIPGCFE-SNVBAGLBSA-N 1 1 290.323 3.048 20 5 CGBDMO Cc1noc(C)c1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000092328538 165290712 /nfs/dbraw/zinc/29/07/12/165290712.db2.gz FREAIIOCFIDJEZ-JTQLQIEISA-N 1 1 289.335 3.359 20 5 CGBDMO CC(C)N1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000020189490 171055779 /nfs/dbraw/zinc/05/57/79/171055779.db2.gz NCROGXDZQJGEFU-ZDUSSCGKSA-N 1 1 291.395 3.118 20 5 CGBDMO CC[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000126293039 287261332 /nfs/dbraw/zinc/26/13/32/287261332.db2.gz CSQRSDLHNQDEDK-UHFFFAOYSA-N 1 1 260.293 3.307 20 5 CGBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccccc2F)c1 ZINC000020053082 416444697 /nfs/dbraw/zinc/44/46/97/416444697.db2.gz HERBGITWLJKIEO-UHFFFAOYSA-N 1 1 260.268 3.024 20 5 CGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000522268814 270105694 /nfs/dbraw/zinc/10/56/94/270105694.db2.gz URPQKMKAPCIJRB-UHFFFAOYSA-N 1 1 288.322 3.408 20 5 CGBDMO CC[C@H](C)C[N@@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC000530662350 270201652 /nfs/dbraw/zinc/20/16/52/270201652.db2.gz NFMLXAXTYCBJIV-LBPRGKRZSA-N 1 1 250.342 3.463 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000531438928 270206985 /nfs/dbraw/zinc/20/69/85/270206985.db2.gz NASRMTYHKFUNBC-MRXNPFEDSA-N 1 1 283.331 3.327 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000531438928 270206986 /nfs/dbraw/zinc/20/69/86/270206986.db2.gz NASRMTYHKFUNBC-MRXNPFEDSA-N 1 1 283.331 3.327 20 5 CGBDMO Cc1ncc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000398019282 288037564 /nfs/dbraw/zinc/03/75/64/288037564.db2.gz UIGQKOANUZNCQF-SNVBAGLBSA-N 1 1 275.308 3.050 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)C[N@H+](C)C(C)C ZINC000554993440 289322646 /nfs/dbraw/zinc/32/26/46/289322646.db2.gz APOIXXXFWMOXQV-UONOGXRCSA-N 1 1 293.411 3.283 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CN(C)C(C)C ZINC000554993440 289322650 /nfs/dbraw/zinc/32/26/50/289322650.db2.gz APOIXXXFWMOXQV-UONOGXRCSA-N 1 1 293.411 3.283 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C(C)C)C1CCC1 ZINC000430206698 295027876 /nfs/dbraw/zinc/02/78/76/295027876.db2.gz XTRTZWAYYNXZLW-UHFFFAOYSA-N 1 1 278.352 3.366 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)C[N@H+](C)C(C)C ZINC000580680001 335321174 /nfs/dbraw/zinc/32/11/74/335321174.db2.gz APOIXXXFWMOXQV-KGLIPLIRSA-N 1 1 293.411 3.283 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CN(C)C(C)C ZINC000580680001 335321175 /nfs/dbraw/zinc/32/11/75/335321175.db2.gz APOIXXXFWMOXQV-KGLIPLIRSA-N 1 1 293.411 3.283 20 5 CGBDMO C[C@@H]([N@@H+](C)CCc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000177252881 534285124 /nfs/dbraw/zinc/28/51/24/534285124.db2.gz LJECJPRKKVHCCV-GFCCVEGCSA-N 1 1 262.353 3.258 20 5 CGBDMO CC[N@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774548 521421918 /nfs/dbraw/zinc/42/19/18/521421918.db2.gz AGUCDMBKQGZAQV-UHFFFAOYSA-N 1 1 289.310 3.151 20 5 CGBDMO CC[N@@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774548 521421921 /nfs/dbraw/zinc/42/19/21/521421921.db2.gz AGUCDMBKQGZAQV-UHFFFAOYSA-N 1 1 289.310 3.151 20 5 CGBDMO COc1ccc(C[N@H+](C)Cc2ccoc2C)cc1[N+](=O)[O-] ZINC000055054873 524006895 /nfs/dbraw/zinc/00/68/95/524006895.db2.gz VFNMLFGMZVEDFW-UHFFFAOYSA-N 1 1 290.319 3.137 20 5 CGBDMO COc1ccc(C[N@@H+](C)Cc2ccoc2C)cc1[N+](=O)[O-] ZINC000055054873 524006898 /nfs/dbraw/zinc/00/68/98/524006898.db2.gz VFNMLFGMZVEDFW-UHFFFAOYSA-N 1 1 290.319 3.137 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158375787 527389096 /nfs/dbraw/zinc/38/90/96/527389096.db2.gz PLBWQIMOZGRPQR-GHMZBOCLSA-N 1 1 295.770 3.287 20 5 CGBDMO CC(C)CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000426475174 527703280 /nfs/dbraw/zinc/70/32/80/527703280.db2.gz KZPSXNNDBFKNIF-UHFFFAOYSA-N 1 1 250.342 3.463 20 5 CGBDMO CCCC[C@@H](CN)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423294696 528823734 /nfs/dbraw/zinc/82/37/34/528823734.db2.gz CSTDHIVGUAZQHD-OLZOCXBDSA-N 1 1 279.384 3.071 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000731213141 572403047 /nfs/dbraw/zinc/40/30/47/572403047.db2.gz KDOFQVAPYNPSOW-PHIMTYICSA-N 1 1 266.316 3.497 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000747212338 572918977 /nfs/dbraw/zinc/91/89/77/572918977.db2.gz MUMABIYJKXWQRO-UHFFFAOYSA-N 1 1 291.395 3.214 20 5 CGBDMO COC1CCC(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000891620670 618242728 /nfs/dbraw/zinc/24/27/28/618242728.db2.gz HVKVZCXQONNMOL-UHFFFAOYSA-N 1 1 292.379 3.232 20 5 CGBDMO COc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000894656727 619596336 /nfs/dbraw/zinc/59/63/36/619596336.db2.gz DXPGOUOIWFSXCU-JTQLQIEISA-N 1 1 276.292 3.047 20 5 CGBDMO CC(C)c1ccc(C[N@@H+]2CCO[C@@H](C)CC2)cc1[N+](=O)[O-] ZINC000896585710 620032008 /nfs/dbraw/zinc/03/20/08/620032008.db2.gz WSOPOMWJRYGOTH-ZDUSSCGKSA-N 1 1 292.379 3.329 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2CCO[C@@H](C)CC2)cc1[N+](=O)[O-] ZINC000896585710 620032010 /nfs/dbraw/zinc/03/20/10/620032010.db2.gz WSOPOMWJRYGOTH-ZDUSSCGKSA-N 1 1 292.379 3.329 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C/C=C\Cl ZINC000903443113 621754853 /nfs/dbraw/zinc/75/48/53/621754853.db2.gz BQSSOWPQWGMRHK-RWIWAZIYSA-N 1 1 270.716 3.007 20 5 CGBDMO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NCC[N+](=O)[O-] ZINC000905331926 622062952 /nfs/dbraw/zinc/06/29/52/622062952.db2.gz YFFORFKBPRWSPG-CYBMUJFWSA-N 1 1 277.368 3.062 20 5 CGBDMO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NCC[N+](=O)[O-] ZINC000905331926 622062955 /nfs/dbraw/zinc/06/29/55/622062955.db2.gz YFFORFKBPRWSPG-CYBMUJFWSA-N 1 1 277.368 3.062 20 5 CGBDMO O=[N+]([O-])CC[NH2+][C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000905602515 622087049 /nfs/dbraw/zinc/08/70/49/622087049.db2.gz PQDSUUSFTRIFAS-WBVHZDCISA-N 1 1 298.342 3.118 20 5 CGBDMO Cc1nn(C[N@H+]2CCC[C@H]2C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000055034942 622809528 /nfs/dbraw/zinc/80/95/28/622809528.db2.gz DWYVULULXZIARB-AWEZNQCLSA-N 1 1 292.383 3.020 20 5 CGBDMO CC(C)[N@H+]1CC[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000045652499 622875396 /nfs/dbraw/zinc/87/53/96/622875396.db2.gz CHSVRSJIHDDVDH-NSHDSACASA-N 1 1 283.759 3.143 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000761110049 623678192 /nfs/dbraw/zinc/67/81/92/623678192.db2.gz SDLVVRKPPQJPKO-MRVPVSSYSA-N 1 1 290.697 3.335 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000761110049 623678210 /nfs/dbraw/zinc/67/82/10/623678210.db2.gz SDLVVRKPPQJPKO-MRVPVSSYSA-N 1 1 290.697 3.335 20 5 CGBDMO CCCC[N@@H+](CC)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000075582293 625177508 /nfs/dbraw/zinc/17/75/08/625177508.db2.gz BLIJQHIDWMTWQO-UHFFFAOYSA-N 1 1 276.340 3.024 20 5 CGBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000767755716 627434446 /nfs/dbraw/zinc/43/44/46/627434446.db2.gz VCNLEKGABSNFNG-CQSZACIVSA-N 1 1 292.383 3.184 20 5 CGBDMO CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000768555232 627486788 /nfs/dbraw/zinc/48/67/88/627486788.db2.gz OJGCIIVFUAKTAW-GFCCVEGCSA-N 1 1 298.770 3.107 20 5 CGBDMO CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000772950166 627833760 /nfs/dbraw/zinc/83/37/60/627833760.db2.gz GBJFSLZVPOERQE-JTQLQIEISA-N 1 1 289.335 3.304 20 5 CGBDMO CC[N@@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1CC1 ZINC000774636845 628010981 /nfs/dbraw/zinc/01/09/81/628010981.db2.gz ZJNPUSQYXJXYCE-UHFFFAOYSA-N 1 1 294.742 3.040 20 5 CGBDMO Cc1ccc(NC/C=C\c2ccccc2[N+](=O)[O-])[nH+]c1 ZINC000776033023 628160017 /nfs/dbraw/zinc/16/00/17/628160017.db2.gz RPXUTRGPXPTNQN-XQRVVYSFSA-N 1 1 269.304 3.424 20 5 CGBDMO CC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585001 628221344 /nfs/dbraw/zinc/22/13/44/628221344.db2.gz QTAGETCXTRCRHB-XJKSGUPXSA-N 1 1 292.379 3.140 20 5 CGBDMO C[C@H](Cc1[nH]cc[nH+]1)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000782915724 628668200 /nfs/dbraw/zinc/66/82/00/628668200.db2.gz NMQZQDQNBZFEPH-SECBINFHSA-N 1 1 295.726 3.119 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(F)(F)CC1 ZINC000793360185 629448099 /nfs/dbraw/zinc/44/80/99/629448099.db2.gz RNPOMJOEVYWXPS-HYXAFXHYSA-N 1 1 282.290 3.339 20 5 CGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCC1 ZINC000801525269 630341059 /nfs/dbraw/zinc/34/10/59/630341059.db2.gz SAYRLYXHOCPECY-UHFFFAOYSA-N 1 1 266.316 3.497 20 5 CGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCOC1 ZINC000812776084 631305889 /nfs/dbraw/zinc/30/58/89/631305889.db2.gz IKZADBAEEPADDE-LBPRGKRZSA-N 1 1 298.770 3.248 20 5 CGBDMO Cc1nn(C[N@H+](C)CCC(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000121119024 633177818 /nfs/dbraw/zinc/17/78/18/633177818.db2.gz YFCHWVZPGJUWAE-UHFFFAOYSA-N 1 1 290.367 3.188 20 5 CGBDMO CC[N@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C[C@H]1CCOC1 ZINC000876595549 634864520 /nfs/dbraw/zinc/86/45/20/634864520.db2.gz HSRSYVOEVIZOOP-CQSZACIVSA-N 1 1 292.379 3.070 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031454 633950503 /nfs/dbraw/zinc/95/05/03/633950503.db2.gz KKUNZXDTBXAFRL-NEPJUHHUSA-N 1 1 297.374 3.115 20 5 CGBDMO CC[N@@H+](CCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000872032239 633950642 /nfs/dbraw/zinc/95/06/42/633950642.db2.gz YPHCNJCIDWPQLL-LBPRGKRZSA-N 1 1 297.374 3.115 20 5 CGBDMO C[C@H]1C[C@@H](Nc2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000124190111 634182068 /nfs/dbraw/zinc/18/20/68/634182068.db2.gz HZGNUFYFZXRASH-ONGXEEELSA-N 1 1 283.759 3.143 20 5 CGBDMO CCOC[C@@H]1CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876789121 634899013 /nfs/dbraw/zinc/89/90/13/634899013.db2.gz RLODIFCANXPDMM-CQSZACIVSA-N 1 1 292.379 3.070 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000877738078 635171658 /nfs/dbraw/zinc/17/16/58/635171658.db2.gz JMAOJWAOKSEFSX-KGLIPLIRSA-N 1 1 292.404 3.088 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879531153 635805351 /nfs/dbraw/zinc/80/53/51/635805351.db2.gz XGRBPIISQQANHC-TXEJJXNPSA-N 1 1 276.311 3.132 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844433900 635899013 /nfs/dbraw/zinc/89/90/13/635899013.db2.gz ICVSXVRLEPGSNG-CYBMUJFWSA-N 1 1 282.290 3.216 20 5 CGBDMO CCOc1cc(C[N@H+]2CCC[C@H](CF)C2)ccc1[N+](=O)[O-] ZINC000880236847 635946942 /nfs/dbraw/zinc/94/69/42/635946942.db2.gz KLGUPFJMLNROBC-CYBMUJFWSA-N 1 1 296.342 3.175 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1ccoc1 ZINC000134912990 637049297 /nfs/dbraw/zinc/04/92/97/637049297.db2.gz LOPUTWLVLRPLLA-UHFFFAOYSA-N 1 1 266.684 3.131 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000885954352 637329018 /nfs/dbraw/zinc/32/90/18/637329018.db2.gz VPEKVDFIMUJJFT-SNPRPXQTSA-N 1 1 289.379 3.390 20 5 CGBDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886174509 637449238 /nfs/dbraw/zinc/44/92/38/637449238.db2.gz BYNLLTLEZSSYMX-CQSZACIVSA-N 1 1 299.374 3.361 20 5 CGBDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886184087 637451202 /nfs/dbraw/zinc/45/12/02/637451202.db2.gz UDICZAVTMXYODE-CYBMUJFWSA-N 1 1 277.368 3.248 20 5 CGBDMO C[C@H](C1CCCCC1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886192258 637453974 /nfs/dbraw/zinc/45/39/74/637453974.db2.gz NIELSGIRMHLYQA-GFCCVEGCSA-N 1 1 277.368 3.390 20 5 CGBDMO CC1(C)C[C@@]1([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886289129 637486660 /nfs/dbraw/zinc/48/66/60/637486660.db2.gz OAPJAKKOTAHZTN-QGZVFWFLSA-N 1 1 297.358 3.405 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])s1 ZINC000851927808 637548653 /nfs/dbraw/zinc/54/86/53/637548653.db2.gz FQTAOTSGFDJSJF-MRVPVSSYSA-N 1 1 281.337 3.112 20 5 CGBDMO Cc1nn(C[N@H+]2CCCC[C@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000853607496 637872703 /nfs/dbraw/zinc/87/27/03/637872703.db2.gz OIJQIGLDOCQTAD-AWEZNQCLSA-N 1 1 292.383 3.102 20 5 CGBDMO Cc1cc(C)nc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000930236858 638985421 /nfs/dbraw/zinc/98/54/21/638985421.db2.gz ZQHQSLIVJIYWEB-CYBMUJFWSA-N 1 1 285.347 3.457 20 5 CGBDMO CC[C@]1(C)CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246238645 640666175 /nfs/dbraw/zinc/66/61/75/640666175.db2.gz HNQGGGPHLJPJNF-HZPDHXFCSA-N 1 1 292.379 3.140 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC3CCC2CC3)cc1 ZINC001254093136 806340005 /nfs/dbraw/zinc/34/00/05/806340005.db2.gz NIQZERONXIQFKF-UHFFFAOYSA-N 1 1 260.337 3.012 20 5 CGBDMO CC(C)C[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475699 806412966 /nfs/dbraw/zinc/41/29/66/806412966.db2.gz HHLVCOCHQLOAAM-UHFFFAOYSA-N 1 1 291.395 3.151 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC(C)C1 ZINC001254551999 806447656 /nfs/dbraw/zinc/44/76/56/806447656.db2.gz HUDHQAVZUSCQNP-LXVYMNJGSA-N 1 1 262.353 3.256 20 5 CGBDMO CC[N@@H+](C(C)C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550686 806447691 /nfs/dbraw/zinc/44/76/91/806447691.db2.gz OSURHGRRGAXPSZ-GFCCVEGCSA-N 1 1 250.342 3.256 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001254551115 806447928 /nfs/dbraw/zinc/44/79/28/806447928.db2.gz YJTKJKLKYPVAHB-AEGPPILISA-N 1 1 274.364 3.258 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC001254550554 806448103 /nfs/dbraw/zinc/44/81/03/806448103.db2.gz LRYIYPQUYKQCOS-CHWSQXEVSA-N 1 1 262.353 3.400 20 5 CGBDMO Cc1ccc(C[N@H+](C)[C@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC001254564087 806450854 /nfs/dbraw/zinc/45/08/54/806450854.db2.gz IITMLEMQQXWGFY-CQSZACIVSA-N 1 1 299.374 3.361 20 5 CGBDMO Cc1cccc2c1C[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254596813 806457203 /nfs/dbraw/zinc/45/72/03/806457203.db2.gz GCDSBRWEKWHRDU-KRWDZBQOSA-N 1 1 294.354 3.386 20 5 CGBDMO Cc1ncccc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000705527657 799949859 /nfs/dbraw/zinc/94/98/59/799949859.db2.gz KGDRUGQNICJDMC-UHFFFAOYSA-N 1 1 291.738 3.241 20 5 CGBDMO C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC001169021966 807554247 /nfs/dbraw/zinc/55/42/47/807554247.db2.gz BMDUWLKKOVESIA-CYIKRSNASA-N 1 1 292.423 3.332 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC001169035814 807556105 /nfs/dbraw/zinc/55/61/05/807556105.db2.gz CKOCEYLEQIHKCX-YPMHNXCESA-N 1 1 294.782 3.144 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCCC3(CC(F)C3)CC2)C1 ZINC001169039933 807557168 /nfs/dbraw/zinc/55/71/68/807557168.db2.gz VYHKMYKJFFAKGX-LQULJDIASA-N 1 1 284.375 3.036 20 5 CGBDMO COc1ccc(C[C@H](C)[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170328683 807825947 /nfs/dbraw/zinc/82/59/47/807825947.db2.gz LJZDVPUTTOGKQS-OLZOCXBDSA-N 1 1 292.379 3.409 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001173221504 808539580 /nfs/dbraw/zinc/53/95/80/808539580.db2.gz JEZSWQUQDHKBBB-AEGPPILISA-N 1 1 274.364 3.258 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001173222203 808539619 /nfs/dbraw/zinc/53/96/19/808539619.db2.gz QEGGEURQVLQGJE-QKCSRTOESA-N 1 1 296.317 3.113 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001173222205 808539749 /nfs/dbraw/zinc/53/97/49/808539749.db2.gz QEGGEURQVLQGJE-SUHUHFCYSA-N 1 1 296.317 3.113 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(C)(C)C1 ZINC001173224944 808541868 /nfs/dbraw/zinc/54/18/68/808541868.db2.gz AARMFNJERYEDLA-GFCCVEGCSA-N 1 1 262.353 3.258 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cccnc1 ZINC001173228970 808542552 /nfs/dbraw/zinc/54/25/52/808542552.db2.gz OVLVQUGTMMFOPH-ZDUSSCGKSA-N 1 1 285.347 3.053 20 5 CGBDMO Cc1ncccc1C[N@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229942 808542805 /nfs/dbraw/zinc/54/28/05/808542805.db2.gz CEBNCOZBGIWJBB-CYBMUJFWSA-N 1 1 299.374 3.361 20 5 CGBDMO CO[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC001173237734 808545642 /nfs/dbraw/zinc/54/56/42/808545642.db2.gz LSEIUIGXFBJRRD-DVOMOZLQSA-N 1 1 292.379 3.025 20 5 CGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1c(F)cccc1[N+](=O)[O-] ZINC001185018157 810229771 /nfs/dbraw/zinc/22/97/71/810229771.db2.gz WVAGFGAHOJGACB-NWDGAFQWSA-N 1 1 295.358 3.266 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC001195289375 811237481 /nfs/dbraw/zinc/23/74/81/811237481.db2.gz MAKVVOYLOQLAHS-SRVKXCTJSA-N 1 1 278.352 3.080 20 5 CGBDMO Cc1cn2cc(Nc3cc(O)cc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC001199818891 811600455 /nfs/dbraw/zinc/60/04/55/811600455.db2.gz FZDFEJMQSZTCNJ-UHFFFAOYSA-N 1 1 284.275 3.000 20 5 CGBDMO Cc1cc(C)[nH+]c(Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC001216480974 815835430 /nfs/dbraw/zinc/83/54/30/815835430.db2.gz PMTKBSZPPLIJQL-UHFFFAOYSA-N 1 1 261.256 3.489 20 5 CGBDMO Cc1cc(O[C@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001226843133 817482507 /nfs/dbraw/zinc/48/25/07/817482507.db2.gz GKKKWGUDBYDCGR-AWEZNQCLSA-N 1 1 278.352 3.155 20 5 CGBDMO O=[N+]([O-])c1ccccc1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001227482951 817658918 /nfs/dbraw/zinc/65/89/18/817658918.db2.gz PRAQBYGYCCZACU-HNNXBMFYSA-N 1 1 298.342 3.248 20 5 CGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC001228757588 818000591 /nfs/dbraw/zinc/00/05/91/818000591.db2.gz VRUMCVIPYFJPTI-PEGIJTEDSA-N 1 1 296.754 3.252 20 5 CGBDMO Cc1cc(O[C@H]2CCC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC001228838075 818017657 /nfs/dbraw/zinc/01/76/57/818017657.db2.gz LKVJKYJKPGVWHS-AWEZNQCLSA-N 1 1 278.352 3.155 20 5 CGBDMO COC1(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC001343584649 936507130 /nfs/dbraw/zinc/50/71/30/936507130.db2.gz ORQQGHSXDZHZMF-UHFFFAOYSA-N 1 1 290.363 3.260 20 5 CGBDMO COC1(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC001343584649 936507132 /nfs/dbraw/zinc/50/71/32/936507132.db2.gz ORQQGHSXDZHZMF-UHFFFAOYSA-N 1 1 290.363 3.260 20 5 CGBDMO CC[C@@](C)(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)OC ZINC001461874364 937603227 /nfs/dbraw/zinc/60/32/27/937603227.db2.gz XUZGOACBXHJEQP-INIZCTEOSA-N 1 1 292.379 3.374 20 5 CGBDMO Cc1c(C[N@H+]2CCCC[C@]23CCOC3)cccc1[N+](=O)[O-] ZINC001308167929 933062866 /nfs/dbraw/zinc/06/28/66/933062866.db2.gz YUCNQYZNKDRYKQ-MRXNPFEDSA-N 1 1 290.363 3.048 20 5 CGBDMO Cc1c[nH]c(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH+]1 ZINC001319868857 933948389 /nfs/dbraw/zinc/94/83/89/933948389.db2.gz IFDUKMYDGTYZIF-UHFFFAOYSA-N 1 1 286.213 3.389 20 5 CGBDMO CCC[N@@H+](CC)CCNCc1c(C)ccc([N+](=O)[O-])c1C ZINC001560362699 938255405 /nfs/dbraw/zinc/25/54/05/938255405.db2.gz WHYLXAQMINLJQK-UHFFFAOYSA-N 1 1 293.411 3.033 20 5 CGBDMO CCCN(CC)CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001560362699 938255407 /nfs/dbraw/zinc/25/54/07/938255407.db2.gz WHYLXAQMINLJQK-UHFFFAOYSA-N 1 1 293.411 3.033 20 5 CGBDMO Cc1nc(C)c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])o1 ZINC000590019586 346822412 /nfs/dbraw/zinc/82/24/12/346822412.db2.gz GKBINHXKSOPXIS-UHFFFAOYSA-N 1 1 289.335 3.225 20 5 CGBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC(C)(C)C ZINC000350872692 219068871 /nfs/dbraw/zinc/06/88/71/219068871.db2.gz WGTICFYQYJOCIL-UHFFFAOYSA-N 1 1 254.305 3.212 20 5 CGBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC(C)(C)C ZINC000350872692 219068872 /nfs/dbraw/zinc/06/88/72/219068872.db2.gz WGTICFYQYJOCIL-UHFFFAOYSA-N 1 1 254.305 3.212 20 5 CGBDMO C[C@@H](c1cccnc1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000127842139 187336761 /nfs/dbraw/zinc/33/67/61/187336761.db2.gz TVZBVHOPOIKTSX-ZDUSSCGKSA-N 1 1 285.347 3.225 20 5 CGBDMO CC[N@@H+](CCSC)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000592200178 346971227 /nfs/dbraw/zinc/97/12/27/346971227.db2.gz MXEXJCKJSILTFT-LLVKDONJSA-N 1 1 268.382 3.341 20 5 CGBDMO CC(C)C[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000045769923 345029975 /nfs/dbraw/zinc/02/99/75/345029975.db2.gz KPDRPWHNDGIGKR-GFCCVEGCSA-N 1 1 250.342 3.461 20 5 CGBDMO CC(C)[C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000063618926 345250109 /nfs/dbraw/zinc/25/01/09/345250109.db2.gz DRVSRZAWIFBFBV-HNNXBMFYSA-N 1 1 278.352 3.094 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000091479555 345815886 /nfs/dbraw/zinc/81/58/86/345815886.db2.gz KBNWNYYCEXGNJC-LBPRGKRZSA-N 1 1 286.335 3.010 20 5 CGBDMO CCc1cc(N[C@H](C)c2ccccc2[N+](=O)[O-])nc(C)[nH+]1 ZINC000272829921 346412358 /nfs/dbraw/zinc/41/23/58/346412358.db2.gz GPSZLGGKDUEMGT-SNVBAGLBSA-N 1 1 286.335 3.429 20 5 CGBDMO C[C@H](F)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000351757488 219196919 /nfs/dbraw/zinc/19/69/19/219196919.db2.gz NMTAEAXBTAMSPV-NSHDSACASA-N 1 1 266.316 3.307 20 5 CGBDMO Cc1noc(C[N@@H+]2CCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595288448 347286360 /nfs/dbraw/zinc/28/63/60/347286360.db2.gz IXJGZWOMOIKZFH-CYBMUJFWSA-N 1 1 287.319 3.228 20 5 CGBDMO Cc1noc(C[N@H+]2CCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595288448 347286364 /nfs/dbraw/zinc/28/63/64/347286364.db2.gz IXJGZWOMOIKZFH-CYBMUJFWSA-N 1 1 287.319 3.228 20 5 CGBDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595349939 347295801 /nfs/dbraw/zinc/29/58/01/347295801.db2.gz FYFVDMSZXRLDBG-JQWIXIFHSA-N 1 1 281.356 3.292 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)Nc1cc(C)cc[nH+]1 ZINC000595028652 347262757 /nfs/dbraw/zinc/26/27/57/347262757.db2.gz WOVIYEQTDWZTAS-NSHDSACASA-N 1 1 287.319 3.480 20 5 CGBDMO CC[C@@H](C)[N@@H+](CC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000595598516 347323565 /nfs/dbraw/zinc/32/35/65/347323565.db2.gz FQVHSUZJZRQPMP-SNVBAGLBSA-N 1 1 284.331 3.363 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595688453 347337171 /nfs/dbraw/zinc/33/71/71/347337171.db2.gz GZMXTKBUTBYFPJ-WQVCFCJDSA-N 1 1 290.363 3.014 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC1CC=CC1 ZINC000595477457 347309156 /nfs/dbraw/zinc/30/91/56/347309156.db2.gz TWMAQMZSLXLEDM-UHFFFAOYSA-N 1 1 260.337 3.035 20 5 CGBDMO Cc1noc(C[N@@H+]2CCC[C@@]2(C)CC(C)C)c1[N+](=O)[O-] ZINC000595535065 347316219 /nfs/dbraw/zinc/31/62/19/347316219.db2.gz YAXRVYBSWGEZHH-AWEZNQCLSA-N 1 1 281.356 3.292 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000595548966 347318380 /nfs/dbraw/zinc/31/83/80/347318380.db2.gz BILXDXXMWCAEBK-VWYCJHECSA-N 1 1 266.316 3.210 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1=CCSC1 ZINC000595895623 347370605 /nfs/dbraw/zinc/37/06/05/347370605.db2.gz QTSFOPBLDQXNLJ-NSHDSACASA-N 1 1 278.377 3.261 20 5 CGBDMO Cc1cc(NC[C@@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])s1 ZINC000596093647 347382737 /nfs/dbraw/zinc/38/27/37/347382737.db2.gz CSZVEPNULDHNNC-LBPRGKRZSA-N 1 1 297.424 3.497 20 5 CGBDMO Cc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccn1 ZINC000598600122 347670088 /nfs/dbraw/zinc/67/00/88/347670088.db2.gz NOHXVJNPRNQNOT-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccn1 ZINC000598600122 347670090 /nfs/dbraw/zinc/67/00/90/347670090.db2.gz NOHXVJNPRNQNOT-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO C/C=C/C[C@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000599689269 347765882 /nfs/dbraw/zinc/76/58/82/347765882.db2.gz IKUHWKHVKYJUHP-PCAWENJQSA-N 1 1 279.340 3.069 20 5 CGBDMO Cc1cc(C)c(COc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000601069422 347862662 /nfs/dbraw/zinc/86/26/62/347862662.db2.gz ILPIPXXMVIXEPU-UHFFFAOYSA-N 1 1 272.304 3.494 20 5 CGBDMO CC(C)[N@H+]1CCC[C@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000601108903 347870437 /nfs/dbraw/zinc/87/04/37/347870437.db2.gz OKPNBKKGVCTQQO-LLVKDONJSA-N 1 1 283.397 3.189 20 5 CGBDMO CC[C@H](C)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351867958 219231973 /nfs/dbraw/zinc/23/19/73/219231973.db2.gz DQXXTHAGLAZFJF-QMMMGPOBSA-N 1 1 258.268 3.103 20 5 CGBDMO CC[C@H](C)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351867958 219231975 /nfs/dbraw/zinc/23/19/75/219231975.db2.gz DQXXTHAGLAZFJF-QMMMGPOBSA-N 1 1 258.268 3.103 20 5 CGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C(C)C)C1CCCCC1 ZINC000602789142 348029189 /nfs/dbraw/zinc/02/91/89/348029189.db2.gz YDBKDWNBODTDBO-UHFFFAOYSA-N 1 1 294.399 3.143 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602857731 348037213 /nfs/dbraw/zinc/03/72/13/348037213.db2.gz YPYULUGKWRYMAS-OAHLLOKOSA-N 1 1 297.358 3.369 20 5 CGBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582307 348391078 /nfs/dbraw/zinc/39/10/78/348391078.db2.gz GJYDGSOMJMVVHE-QWRGUYRKSA-N 1 1 289.335 3.356 20 5 CGBDMO CC[N@@H+](C[C@@H]1CCOC1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000611204949 348428562 /nfs/dbraw/zinc/42/85/62/348428562.db2.gz CGQPJHHAELXBNT-OLZOCXBDSA-N 1 1 278.352 3.014 20 5 CGBDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611319654 348437793 /nfs/dbraw/zinc/43/77/93/348437793.db2.gz KBZDSEBTFDEKQU-QWRGUYRKSA-N 1 1 289.335 3.499 20 5 CGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614219067 348659107 /nfs/dbraw/zinc/65/91/07/348659107.db2.gz KHIPXLCZHMQESL-ZWNOBZJWSA-N 1 1 289.335 3.356 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000339570085 215248351 /nfs/dbraw/zinc/24/83/51/215248351.db2.gz VBNMVLXIGQJKGG-BDAKNGLRSA-N 1 1 254.717 3.088 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000339570085 215248355 /nfs/dbraw/zinc/24/83/55/215248355.db2.gz VBNMVLXIGQJKGG-BDAKNGLRSA-N 1 1 254.717 3.088 20 5 CGBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C[N@H+]1C1CC1 ZINC000122263076 187023320 /nfs/dbraw/zinc/02/33/20/187023320.db2.gz IYFAUUMZQMYZDX-UWVGGRQHSA-N 1 1 295.770 3.285 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000123069350 187069459 /nfs/dbraw/zinc/06/94/59/187069459.db2.gz SARCWKWWEDTSOZ-AOOOYVTPSA-N 1 1 252.289 3.107 20 5 CGBDMO COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000122717832 187047401 /nfs/dbraw/zinc/04/74/01/187047401.db2.gz ISWIYKCYGWTBAC-NEPJUHHUSA-N 1 1 278.352 3.081 20 5 CGBDMO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000156564546 188269129 /nfs/dbraw/zinc/26/91/29/188269129.db2.gz UMUXGTWZPATWJF-VNHYZAJKSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000156564546 188269130 /nfs/dbraw/zinc/26/91/30/188269130.db2.gz UMUXGTWZPATWJF-VNHYZAJKSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1cnc(CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000157710407 188334145 /nfs/dbraw/zinc/33/41/45/188334145.db2.gz JPNKEBJITHCBDV-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000292704543 198383143 /nfs/dbraw/zinc/38/31/43/198383143.db2.gz CSQLTZYKZCGCRG-UONOGXRCSA-N 1 1 296.317 3.380 20 5 CGBDMO Cc1c([C@H](C)[NH2+][C@H](C)c2ccn(C)n2)cccc1[N+](=O)[O-] ZINC000414168907 235352615 /nfs/dbraw/zinc/35/26/15/235352615.db2.gz AQIRNVNMBSVVFJ-NWDGAFQWSA-N 1 1 288.351 3.049 20 5 CGBDMO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000424191244 236131815 /nfs/dbraw/zinc/13/18/15/236131815.db2.gz HAXADRQFEIJPKM-JKSUJKDBSA-N 1 1 286.306 3.322 20 5 CGBDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000298682132 200502503 /nfs/dbraw/zinc/50/25/03/200502503.db2.gz ADEGMDAMTXZIKE-NSHDSACASA-N 1 1 266.341 3.080 20 5 CGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000342295902 216296620 /nfs/dbraw/zinc/29/66/20/216296620.db2.gz PYOJAZPKNQNTSV-LBPRGKRZSA-N 1 1 295.358 3.045 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCCC[C@H]1C ZINC000301456733 201016567 /nfs/dbraw/zinc/01/65/67/201016567.db2.gz WYZDPYGMNNWNTR-CYBMUJFWSA-N 1 1 277.368 3.190 20 5 CGBDMO Cc1ccc([C@@H](C)NCC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000181844322 189308210 /nfs/dbraw/zinc/30/82/10/189308210.db2.gz PAWVDTJPXDPUGX-HIFRSBDPSA-N 1 1 291.395 3.038 20 5 CGBDMO CCOC[C@@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182823233 189336318 /nfs/dbraw/zinc/33/63/18/189336318.db2.gz YQCDJVZXLPFDON-UONOGXRCSA-N 1 1 292.379 3.323 20 5 CGBDMO C[C@@H](CNc1sccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000302006305 201295288 /nfs/dbraw/zinc/29/52/88/201295288.db2.gz VRQHVUWGIIWJGK-QWRGUYRKSA-N 1 1 283.397 3.189 20 5 CGBDMO Cc1[nH+]ccn1CCCCNc1sccc1[N+](=O)[O-] ZINC000302037391 201311692 /nfs/dbraw/zinc/31/16/92/201311692.db2.gz VFMPPOUEUYLPMA-UHFFFAOYSA-N 1 1 280.353 3.054 20 5 CGBDMO COC[C@@]1(C)CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000451198526 240249472 /nfs/dbraw/zinc/24/94/72/240249472.db2.gz BXHNTFHKDPTPOP-AWEZNQCLSA-N 1 1 298.770 3.107 20 5 CGBDMO COC[C@@]1(C)CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000451198526 240249475 /nfs/dbraw/zinc/24/94/75/240249475.db2.gz BXHNTFHKDPTPOP-AWEZNQCLSA-N 1 1 298.770 3.107 20 5 CGBDMO CCO[C@@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451533331 240318562 /nfs/dbraw/zinc/31/85/62/240318562.db2.gz WIYBPUNLUQQWSK-XJKCOSOUSA-N 1 1 292.379 3.403 20 5 CGBDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000459705240 242188413 /nfs/dbraw/zinc/18/84/13/242188413.db2.gz HSTBFWRSDZHQKO-HNNXBMFYSA-N 1 1 292.379 3.294 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2Cc3cccc(F)c3C2)cc1 ZINC000459730137 242195733 /nfs/dbraw/zinc/19/57/33/242195733.db2.gz JWSSWZGHCYUFQH-UHFFFAOYSA-N 1 1 286.306 3.292 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2Cc3cccc(F)c3C2)cc1 ZINC000459730137 242195741 /nfs/dbraw/zinc/19/57/41/242195741.db2.gz JWSSWZGHCYUFQH-UHFFFAOYSA-N 1 1 286.306 3.292 20 5 CGBDMO C[C@@H]1CCCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000481593240 243199212 /nfs/dbraw/zinc/19/92/12/243199212.db2.gz DIFMMTKPWSYSFW-CYBMUJFWSA-N 1 1 262.353 3.259 20 5 CGBDMO C[C@H]1CCCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000481593242 243199722 /nfs/dbraw/zinc/19/97/22/243199722.db2.gz DIFMMTKPWSYSFW-ZDUSSCGKSA-N 1 1 262.353 3.259 20 5 CGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000483093786 243259227 /nfs/dbraw/zinc/25/92/27/243259227.db2.gz BXPBSENKEADHJJ-ZDUSSCGKSA-N 1 1 292.379 3.484 20 5 CGBDMO CCC[C@H](NCC[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000020024041 368793277 /nfs/dbraw/zinc/79/32/77/368793277.db2.gz NHVJRDZKZTUGCS-INIZCTEOSA-N 1 1 293.411 3.367 20 5 CGBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(F)cc2F)c1 ZINC000051016686 369445929 /nfs/dbraw/zinc/44/59/29/369445929.db2.gz SSFMJFLVONTGNB-UHFFFAOYSA-N 1 1 278.258 3.163 20 5 CGBDMO Cc1occc1C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000055055244 369509327 /nfs/dbraw/zinc/50/93/27/369509327.db2.gz VKQKVKMCIQOEAG-UHFFFAOYSA-N 1 1 290.319 3.007 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCc1ccccn1 ZINC000072835960 369841098 /nfs/dbraw/zinc/84/10/98/369841098.db2.gz DRPHOTSQLQARFN-CYBMUJFWSA-N 1 1 285.347 3.225 20 5 CGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccccc1[N+](=O)[O-] ZINC000511713399 245002261 /nfs/dbraw/zinc/00/22/61/245002261.db2.gz QEIUENGSZMUEEF-HZSPNIEDSA-N 1 1 291.395 3.373 20 5 CGBDMO CCCC[N@@H+](CC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000131906080 371138994 /nfs/dbraw/zinc/13/89/94/371138994.db2.gz NILGICINBAZWRQ-GFCCVEGCSA-N 1 1 293.367 3.044 20 5 CGBDMO CS[C@@H]1CCCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000134604667 371352903 /nfs/dbraw/zinc/35/29/03/371352903.db2.gz QSJVWQBOUJXBCC-OAHLLOKOSA-N 1 1 294.420 3.355 20 5 CGBDMO CC[C@]1(C)C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000135634898 371441302 /nfs/dbraw/zinc/44/13/02/371441302.db2.gz QCNNOYSFMXNPJV-XJKSGUPXSA-N 1 1 292.379 3.465 20 5 CGBDMO CC[C@]1(C)C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000135634898 371441305 /nfs/dbraw/zinc/44/13/05/371441305.db2.gz QCNNOYSFMXNPJV-XJKSGUPXSA-N 1 1 292.379 3.465 20 5 CGBDMO Cc1ccc(C[N@H+](Cc2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000290579070 372020505 /nfs/dbraw/zinc/02/05/05/372020505.db2.gz UJVZGZKZPDURIQ-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000290579070 372020510 /nfs/dbraw/zinc/02/05/10/372020510.db2.gz UJVZGZKZPDURIQ-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO CC(C)[N@H+]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000344222648 217104297 /nfs/dbraw/zinc/10/42/97/217104297.db2.gz TWPXCJKYIWAZRN-CQSZACIVSA-N 1 1 291.395 3.072 20 5 CGBDMO Cc1c(C[N@H+]2CCCO[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000293074516 372292626 /nfs/dbraw/zinc/29/26/26/372292626.db2.gz JDHUALXDDYWVSF-MRXNPFEDSA-N 1 1 292.379 3.150 20 5 CGBDMO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000429164534 372319557 /nfs/dbraw/zinc/31/95/57/372319557.db2.gz CYJYHRHENZRIOA-ZDUSSCGKSA-N 1 1 298.342 3.378 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000429164534 372319566 /nfs/dbraw/zinc/31/95/66/372319566.db2.gz CYJYHRHENZRIOA-ZDUSSCGKSA-N 1 1 298.342 3.378 20 5 CGBDMO CC(C)[C@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000293325281 372356216 /nfs/dbraw/zinc/35/62/16/372356216.db2.gz XTAVVFWLPDFBKM-XJKSGUPXSA-N 1 1 292.379 3.403 20 5 CGBDMO CS[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000294185617 372606797 /nfs/dbraw/zinc/60/67/97/372606797.db2.gz FECKAQFOQAGYQZ-LLVKDONJSA-N 1 1 286.784 3.186 20 5 CGBDMO CS[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000294185617 372606812 /nfs/dbraw/zinc/60/68/12/372606812.db2.gz FECKAQFOQAGYQZ-LLVKDONJSA-N 1 1 286.784 3.186 20 5 CGBDMO O=[N+]([O-])c1ccccc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433800075 372633369 /nfs/dbraw/zinc/63/33/69/372633369.db2.gz BCFGNJPUFKWWSK-ZDUSSCGKSA-N 1 1 275.352 3.024 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCSC(C)(C)C1 ZINC000434908380 372718485 /nfs/dbraw/zinc/71/84/85/372718485.db2.gz ADKLCLATERLTQX-LLVKDONJSA-N 1 1 280.393 3.483 20 5 CGBDMO COc1ccc(C[N@@H+](C)[C@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000298682126 373380025 /nfs/dbraw/zinc/38/00/25/373380025.db2.gz ADEGMDAMTXZIKE-LLVKDONJSA-N 1 1 266.341 3.080 20 5 CGBDMO CS[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449447005 373725850 /nfs/dbraw/zinc/72/58/50/373725850.db2.gz VQCVIWCFMWSNMN-RYWCDNDXSA-N 1 1 278.377 3.045 20 5 CGBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000301279544 373727034 /nfs/dbraw/zinc/72/70/34/373727034.db2.gz SWMUJZVOMIMVII-GFCCVEGCSA-N 1 1 281.331 3.020 20 5 CGBDMO C[N@H+]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000301826157 373806814 /nfs/dbraw/zinc/80/68/14/373806814.db2.gz FAMGAPPXJRHFPW-NVXWUHKLSA-N 1 1 297.358 3.452 20 5 CGBDMO Cn1cccc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449494689 373789925 /nfs/dbraw/zinc/78/99/25/373789925.db2.gz BFTMCDXAHBTPAS-OAHLLOKOSA-N 1 1 299.374 3.313 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000305842846 374119777 /nfs/dbraw/zinc/11/97/77/374119777.db2.gz RQDLPMYGDDOAJR-MJBXVCDLSA-N 1 1 292.379 3.057 20 5 CGBDMO COC[C@@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000452076436 374226133 /nfs/dbraw/zinc/22/61/33/374226133.db2.gz DZBNUHSBNXDWSB-UONOGXRCSA-N 1 1 292.379 3.404 20 5 CGBDMO CO[C@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182743311 374321031 /nfs/dbraw/zinc/32/10/31/374321031.db2.gz UXQDMTNVHZNKPE-OCCSQVGLSA-N 1 1 278.352 3.075 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCC1CCOCC1 ZINC000183361942 374406515 /nfs/dbraw/zinc/40/65/15/374406515.db2.gz OWHVHPBMRGKKQA-UHFFFAOYSA-N 1 1 292.379 3.152 20 5 CGBDMO CC[C@@H](C)C[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184212890 374504697 /nfs/dbraw/zinc/50/46/97/374504697.db2.gz ZHGMSMZIZBYQLR-SNVBAGLBSA-N 1 1 284.331 3.220 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331467500 374535416 /nfs/dbraw/zinc/53/54/16/374535416.db2.gz KBKILMDFQBTVHA-WDEREUQCSA-N 1 1 288.351 3.234 20 5 CGBDMO COCC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1C ZINC000487976525 375290377 /nfs/dbraw/zinc/29/03/77/375290377.db2.gz ULRNGSUXNUEIGS-WCQYABFASA-N 1 1 298.408 3.293 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000491894921 375360889 /nfs/dbraw/zinc/36/08/89/375360889.db2.gz RVCQHWCMRAWACV-JOYOIKCWSA-N 1 1 266.728 3.233 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000491894921 375360895 /nfs/dbraw/zinc/36/08/95/375360895.db2.gz RVCQHWCMRAWACV-JOYOIKCWSA-N 1 1 266.728 3.233 20 5 CGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336810830 375963738 /nfs/dbraw/zinc/96/37/38/375963738.db2.gz JPTVQCSEHZTFCF-ZYHUDNBSSA-N 1 1 266.316 3.497 20 5 CGBDMO CC[C@@H](NCC[N@H+](C)[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000247051621 377147563 /nfs/dbraw/zinc/14/75/63/377147563.db2.gz OXDJPPPYSQBTPX-XJKSGUPXSA-N 1 1 293.411 3.366 20 5 CGBDMO CC[C@@H]([NH2+]CCN(C)[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000247051621 377147569 /nfs/dbraw/zinc/14/75/69/377147569.db2.gz OXDJPPPYSQBTPX-XJKSGUPXSA-N 1 1 293.411 3.366 20 5 CGBDMO CC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000248536115 377338858 /nfs/dbraw/zinc/33/88/58/377338858.db2.gz ZWWVKQMWDQDUAN-UKRRQHHQSA-N 1 1 291.395 3.038 20 5 CGBDMO CC[N@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000248536115 377338864 /nfs/dbraw/zinc/33/88/64/377338864.db2.gz ZWWVKQMWDQDUAN-UKRRQHHQSA-N 1 1 291.395 3.038 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250115086 377551532 /nfs/dbraw/zinc/55/15/32/377551532.db2.gz OODRIBXZMSJCDX-VXGBXAGGSA-N 1 1 278.352 3.155 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250115086 377551537 /nfs/dbraw/zinc/55/15/37/377551537.db2.gz OODRIBXZMSJCDX-VXGBXAGGSA-N 1 1 278.352 3.155 20 5 CGBDMO CCOC1CC([N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000515712228 249218929 /nfs/dbraw/zinc/21/89/29/249218929.db2.gz QQORNQUDFALODD-VURMDHGXSA-N 1 1 290.363 3.107 20 5 CGBDMO COc1ccc(C[N@@H+](C)[C@@H](C)C2(C)CC2)cc1[N+](=O)[O-] ZINC000177252907 542190978 /nfs/dbraw/zinc/19/09/78/542190978.db2.gz BAINBHGTHWJPKH-NSHDSACASA-N 1 1 278.352 3.224 20 5 CGBDMO CCC[N@H+]1CCC[C@@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000343907230 378131535 /nfs/dbraw/zinc/13/15/35/378131535.db2.gz GUROLNBZXKXURX-LLVKDONJSA-N 1 1 281.331 3.020 20 5 CGBDMO CC1(C)C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C1CC1 ZINC000579655800 378179743 /nfs/dbraw/zinc/17/97/43/378179743.db2.gz IFNWRFJUYTYBNW-AWEZNQCLSA-N 1 1 260.337 3.215 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000270203596 378322370 /nfs/dbraw/zinc/32/23/70/378322370.db2.gz COMAQNSHZITYPC-UHFFFAOYSA-N 1 1 286.253 3.289 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000270203596 378322374 /nfs/dbraw/zinc/32/23/74/378322374.db2.gz COMAQNSHZITYPC-UHFFFAOYSA-N 1 1 286.253 3.289 20 5 CGBDMO CC[N@@H+](C[C@H]1CCCO1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000270743619 378394970 /nfs/dbraw/zinc/39/49/70/378394970.db2.gz RCXYYKYRJKPDSO-SWLSCSKDSA-N 1 1 278.352 3.157 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccnc1 ZINC000271053872 378441862 /nfs/dbraw/zinc/44/18/62/378441862.db2.gz YIAPXVVIDHKKFC-GFCCVEGCSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccnc1 ZINC000271053872 378441866 /nfs/dbraw/zinc/44/18/66/378441866.db2.gz YIAPXVVIDHKKFC-GFCCVEGCSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCCOC1 ZINC000266764134 190279358 /nfs/dbraw/zinc/27/93/58/190279358.db2.gz QTOSDHCNTSZZIH-OLZOCXBDSA-N 1 1 278.352 3.014 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@H](C)CC2)ccc1[N+](=O)[O-] ZINC000352407918 379800438 /nfs/dbraw/zinc/80/04/38/379800438.db2.gz WJANHSOXISYAGN-LBPRGKRZSA-N 1 1 278.352 3.225 20 5 CGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccoc1 ZINC000352650377 379893033 /nfs/dbraw/zinc/89/30/33/379893033.db2.gz WGZWUPCIZYHFNC-GQCTYLIASA-N 1 1 272.304 3.333 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279201633 194329848 /nfs/dbraw/zinc/32/98/48/194329848.db2.gz AWSQLGGHDOOEPJ-HSMVNMDESA-N 1 1 290.363 3.155 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279201633 194329849 /nfs/dbraw/zinc/32/98/49/194329849.db2.gz AWSQLGGHDOOEPJ-HSMVNMDESA-N 1 1 290.363 3.155 20 5 CGBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000419372321 380819697 /nfs/dbraw/zinc/81/96/97/380819697.db2.gz MDEXZBBEFSAEQE-OUAUKWLOSA-N 1 1 266.316 3.210 20 5 CGBDMO C[C@@H](C1CCC1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000357028350 380999669 /nfs/dbraw/zinc/99/96/69/380999669.db2.gz UQNGRZCGGGOYIW-LBPRGKRZSA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000359994208 381402036 /nfs/dbraw/zinc/40/20/36/381402036.db2.gz URTBEMHJZAASBZ-SNVBAGLBSA-N 1 1 268.744 3.480 20 5 CGBDMO C[C@@H]1[C@@H](C)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000361346875 381709278 /nfs/dbraw/zinc/70/92/78/381709278.db2.gz REYVVXVZIKDNHH-QWHCGFSZSA-N 1 1 278.352 3.094 20 5 CGBDMO COC1(C)CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000361521249 381785184 /nfs/dbraw/zinc/78/51/84/381785184.db2.gz AANMDQQKGPPQNS-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000361480936 381764027 /nfs/dbraw/zinc/76/40/27/381764027.db2.gz HXFTZRMNNFONSU-UHFFFAOYSA-N 1 1 278.352 3.096 20 5 CGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+](CC2CC2)C2CCC2)c1 ZINC000361580381 381815184 /nfs/dbraw/zinc/81/51/84/381815184.db2.gz XVYOKJAXRRLXSF-UHFFFAOYSA-N 1 1 290.363 3.238 20 5 CGBDMO COc1ccc(C[N@H+]2CC(C)(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000412050315 533552933 /nfs/dbraw/zinc/55/29/33/533552933.db2.gz XZQTUEMCQUCULZ-LLVKDONJSA-N 1 1 278.352 3.224 20 5 CGBDMO Cc1c([C@H](C)[NH2+]Cc2ccc(F)cn2)cccc1[N+](=O)[O-] ZINC000362129007 392409682 /nfs/dbraw/zinc/40/96/82/392409682.db2.gz JNBGAHAKQGOVPE-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO CS[C@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000296428355 392557973 /nfs/dbraw/zinc/55/79/73/392557973.db2.gz VGGKQZHQASHVGQ-QWRGUYRKSA-N 1 1 266.366 3.093 20 5 CGBDMO CCCCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511092130 392827130 /nfs/dbraw/zinc/82/71/30/392827130.db2.gz RUSIXHCEHCTOPT-UHFFFAOYSA-N 1 1 250.342 3.259 20 5 CGBDMO C[C@H]1CCC[C@H](C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000347786620 393108931 /nfs/dbraw/zinc/10/89/31/393108931.db2.gz OPUZUTUSQOANNX-STQMWFEESA-N 1 1 289.379 3.174 20 5 CGBDMO COc1ccc(C[N@H+]2CC[C@@H](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000546123930 393034329 /nfs/dbraw/zinc/03/43/29/393034329.db2.gz DXUUEQOEPNYFCZ-GFCCVEGCSA-N 1 1 292.379 3.471 20 5 CGBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000472264977 393335399 /nfs/dbraw/zinc/33/53/99/393335399.db2.gz QNWWSPNGLYBMRU-LBPRGKRZSA-N 1 1 262.353 3.258 20 5 CGBDMO COc1cc(C[N@H+]2C[C@H](C)C[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000475725332 393413421 /nfs/dbraw/zinc/41/34/21/393413421.db2.gz YCWLQOLBIRWQCJ-FRRDWIJNSA-N 1 1 292.379 3.470 20 5 CGBDMO C[C@@H]1CC[C@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000429554219 393478045 /nfs/dbraw/zinc/47/80/45/393478045.db2.gz ARYBLNAMHDOWQE-OCCSQVGLSA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000488356808 393496345 /nfs/dbraw/zinc/49/63/45/393496345.db2.gz OAALVAWDCQVURM-DGCLKSJQSA-N 1 1 260.337 3.215 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430210690 393539595 /nfs/dbraw/zinc/53/95/95/393539595.db2.gz VDAHKJDVPNNGOL-LLVKDONJSA-N 1 1 266.341 3.224 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)CC1(C)C ZINC000430243554 393547744 /nfs/dbraw/zinc/54/77/44/393547744.db2.gz UWMPZTKNILNJKX-LLVKDONJSA-N 1 1 278.352 3.224 20 5 CGBDMO CC[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](CC)O1 ZINC000420948818 393553845 /nfs/dbraw/zinc/55/38/45/393553845.db2.gz FAARRJVDLZBHJV-IYBDPMFKSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CCO)CC1 ZINC000421044223 393586557 /nfs/dbraw/zinc/58/65/57/393586557.db2.gz SBROKNZNCAVUII-KBPBESRZSA-N 1 1 292.379 3.140 20 5 CGBDMO C[C@H](Cc1[nH]cc[nH+]1)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000360947818 393621614 /nfs/dbraw/zinc/62/16/14/393621614.db2.gz XVBCTCSXMNXBAX-SECBINFHSA-N 1 1 295.726 3.119 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000449532000 393885722 /nfs/dbraw/zinc/88/57/22/393885722.db2.gz CPYZUNCAJUOFKD-HOTGVXAUSA-N 1 1 272.348 3.215 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000075768906 287028165 /nfs/dbraw/zinc/02/81/65/287028165.db2.gz DCGIKIVUBZWLFA-FZMZJTMJSA-N 1 1 278.327 3.498 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000075683424 287027224 /nfs/dbraw/zinc/02/72/24/287027224.db2.gz REMJORJYBLAROR-LLVKDONJSA-N 1 1 290.363 3.366 20 5 CGBDMO CC[C@H](C)C[N@@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000091796379 165273472 /nfs/dbraw/zinc/27/34/72/165273472.db2.gz GURRUMVCONXUOL-NSHDSACASA-N 1 1 296.367 3.090 20 5 CGBDMO Cc1ccc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)cc1[N+](=O)[O-] ZINC000091964266 165278142 /nfs/dbraw/zinc/27/81/42/165278142.db2.gz AAAUDNKWKGTGAT-OAHLLOKOSA-N 1 1 292.379 3.150 20 5 CGBDMO O=[N+]([O-])c1ccccc1CNc1cc[nH+]cc1Cl ZINC000094266974 165344860 /nfs/dbraw/zinc/34/48/60/165344860.db2.gz DEXGRSOUJLVDKQ-UHFFFAOYSA-N 1 1 263.684 3.255 20 5 CGBDMO Cc1cnc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000123001479 287214953 /nfs/dbraw/zinc/21/49/53/287214953.db2.gz NCDVWWHYPUYOHJ-SNVBAGLBSA-N 1 1 277.349 3.211 20 5 CGBDMO CC(C)c1ccc(C[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000126202741 287259344 /nfs/dbraw/zinc/25/93/44/287259344.db2.gz BTSZJZCZYLIFKC-UHFFFAOYSA-N 1 1 280.393 3.267 20 5 CGBDMO C[C@@H](NCC[N@@H+](C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000071376798 176141858 /nfs/dbraw/zinc/14/18/58/176141858.db2.gz JWFVADJJJQYDCV-CYBMUJFWSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@@H]([NH2+]CCN(C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000071376798 176141859 /nfs/dbraw/zinc/14/18/59/176141859.db2.gz JWFVADJJJQYDCV-CYBMUJFWSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000525120858 270117393 /nfs/dbraw/zinc/11/73/93/270117393.db2.gz ARIYQEPNDLWBJD-QWHCGFSZSA-N 1 1 262.353 3.258 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCSCC1 ZINC000530340519 270199382 /nfs/dbraw/zinc/19/93/82/270199382.db2.gz JXTVRCJOXKLYQR-RAXLEYEMSA-N 1 1 292.404 3.437 20 5 CGBDMO Cc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000532038826 270213125 /nfs/dbraw/zinc/21/31/25/270213125.db2.gz NMWZVXZUOFDQGA-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO Cc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000532038826 270213126 /nfs/dbraw/zinc/21/31/26/270213126.db2.gz NMWZVXZUOFDQGA-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO Cc1[nH+]ccn1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292668638 274862652 /nfs/dbraw/zinc/86/26/52/274862652.db2.gz NXYVJQWSGMFEEN-UHFFFAOYSA-N 1 1 285.225 3.167 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nccs1)CCC2 ZINC000192708029 275038512 /nfs/dbraw/zinc/03/85/12/275038512.db2.gz ZKWYQIMOOHGZGG-CYBMUJFWSA-N 1 1 289.360 3.219 20 5 CGBDMO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297485127 276715802 /nfs/dbraw/zinc/71/58/02/276715802.db2.gz ZOBVIQWKNKAVQL-RYUDHWBXSA-N 1 1 288.351 3.223 20 5 CGBDMO CO[C@@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000374650436 277285459 /nfs/dbraw/zinc/28/54/59/277285459.db2.gz XSVHDLGAUJFFOJ-SWLSCSKDSA-N 1 1 278.352 3.157 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(C)(F)F ZINC000449416488 278298844 /nfs/dbraw/zinc/29/88/44/278298844.db2.gz UGJRWOKQLXLVQR-UWVGGRQHSA-N 1 1 272.295 3.159 20 5 CGBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000549549000 289046337 /nfs/dbraw/zinc/04/63/37/289046337.db2.gz KFNRXQVZYZLVEJ-UHFFFAOYSA-N 1 1 262.353 3.402 20 5 CGBDMO CC(C)[C@@H]1CC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000568121687 322194242 /nfs/dbraw/zinc/19/42/42/322194242.db2.gz IUUNXKKNPGUTJK-DYLGSBMWSA-N 1 1 260.337 3.338 20 5 CGBDMO C[C@H]1CCCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000572466594 322339175 /nfs/dbraw/zinc/33/91/75/322339175.db2.gz BDSDVLWIRCGWKU-NSHDSACASA-N 1 1 288.351 3.093 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCSc2ncccc2[N+](=O)[O-])C1 ZINC000584243064 327126134 /nfs/dbraw/zinc/12/61/34/327126134.db2.gz NUROPZTZXWQQLE-TXEJJXNPSA-N 1 1 295.408 3.060 20 5 CGBDMO CCCC[N@@H+](C)C[C@@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000576554333 335218426 /nfs/dbraw/zinc/21/84/26/335218426.db2.gz DIMGZGUMTKLOGW-CQSZACIVSA-N 1 1 293.411 3.113 20 5 CGBDMO CCCCN(C)C[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000576554333 335218427 /nfs/dbraw/zinc/21/84/27/335218427.db2.gz DIMGZGUMTKLOGW-CQSZACIVSA-N 1 1 293.411 3.113 20 5 CGBDMO C[C@@H]([N@@H+](C)CCOc1cccc([N+](=O)[O-])c1)C1(C)CC1 ZINC000437534865 534285114 /nfs/dbraw/zinc/28/51/14/534285114.db2.gz JMVGBULDEABMBM-GFCCVEGCSA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746675271 572890242 /nfs/dbraw/zinc/89/02/42/572890242.db2.gz RTKCLJLAWLMCKJ-VHSXEESVSA-N 1 1 268.744 3.479 20 5 CGBDMO Cc1ncc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)o1 ZINC000414170724 534744701 /nfs/dbraw/zinc/74/47/01/534744701.db2.gz CFEHWOPGUTWQDJ-SNVBAGLBSA-N 1 1 275.308 3.050 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@]1(C)CCCO ZINC000290484683 525562940 /nfs/dbraw/zinc/56/29/40/525562940.db2.gz OFODYAPIFRDJAQ-MRXNPFEDSA-N 1 1 292.379 3.030 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(OC3CCC3)CC2)cs1 ZINC000418091645 534879683 /nfs/dbraw/zinc/87/96/83/534879683.db2.gz NQCIAHOQTPBYIE-UHFFFAOYSA-N 1 1 296.392 3.190 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000746678352 572891796 /nfs/dbraw/zinc/89/17/96/572891796.db2.gz QBSRBVGVOHVEBG-SNVBAGLBSA-N 1 1 266.316 3.354 20 5 CGBDMO CC(C)([NH2+]Cc1ccncc1F)c1ccccc1[N+](=O)[O-] ZINC000449340738 527295564 /nfs/dbraw/zinc/29/55/64/527295564.db2.gz QAGHQZCANAIXOU-UHFFFAOYSA-N 1 1 289.310 3.154 20 5 CGBDMO CCC(C)(C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411386078 528538266 /nfs/dbraw/zinc/53/82/66/528538266.db2.gz XZHVNSVCEMFACB-UHFFFAOYSA-N 1 1 293.367 3.044 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)CC ZINC000177669765 528611871 /nfs/dbraw/zinc/61/18/71/528611871.db2.gz WAXZCSWFUBIWFO-LLVKDONJSA-N 1 1 266.341 3.224 20 5 CGBDMO CCC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1CC1 ZINC000051281344 618243580 /nfs/dbraw/zinc/24/35/80/618243580.db2.gz DDUTUHVOLVEXPB-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000052085742 618688414 /nfs/dbraw/zinc/68/84/14/618688414.db2.gz SFJHJQDQYOVTEH-LBPRGKRZSA-N 1 1 288.351 3.024 20 5 CGBDMO C[C@H]([N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-])C1(C)CC1 ZINC000177248249 618810812 /nfs/dbraw/zinc/81/08/12/618810812.db2.gz RYBQHGIJPXTZTA-JTQLQIEISA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000925632605 619098174 /nfs/dbraw/zinc/09/81/74/619098174.db2.gz BHNFBSSTNDQYOW-YNEHKIRRSA-N 1 1 291.395 3.151 20 5 CGBDMO C[C@H](N[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000925632602 619098258 /nfs/dbraw/zinc/09/82/58/619098258.db2.gz BHNFBSSTNDQYOW-AVGNSLFASA-N 1 1 291.395 3.151 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CF)C2)cc1Cl ZINC000895546137 619847611 /nfs/dbraw/zinc/84/76/11/619847611.db2.gz YCMBHZVLZQJJNJ-LLVKDONJSA-N 1 1 286.734 3.430 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CF)C2)cc1Cl ZINC000895546137 619847614 /nfs/dbraw/zinc/84/76/14/619847614.db2.gz YCMBHZVLZQJJNJ-LLVKDONJSA-N 1 1 286.734 3.430 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](CF)C1 ZINC000895569099 619853936 /nfs/dbraw/zinc/85/39/36/619853936.db2.gz SOLHWYXOFRFLLV-GFCCVEGCSA-N 1 1 266.316 3.003 20 5 CGBDMO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000895928900 619910066 /nfs/dbraw/zinc/91/00/66/619910066.db2.gz VKJVXOPDZGFPKK-ZYHUDNBSSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000895928900 619910067 /nfs/dbraw/zinc/91/00/67/619910067.db2.gz VKJVXOPDZGFPKK-ZYHUDNBSSA-N 1 1 298.770 3.248 20 5 CGBDMO CC(C)c1ccc(C[N@@H+]2CCO[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000896585709 620031969 /nfs/dbraw/zinc/03/19/69/620031969.db2.gz WSOPOMWJRYGOTH-CYBMUJFWSA-N 1 1 292.379 3.329 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2CCO[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000896585709 620031972 /nfs/dbraw/zinc/03/19/72/620031972.db2.gz WSOPOMWJRYGOTH-CYBMUJFWSA-N 1 1 292.379 3.329 20 5 CGBDMO CO[C@@]1(C)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000230261315 623230027 /nfs/dbraw/zinc/23/00/27/623230027.db2.gz QRSFOSDGXRQXOC-AWEZNQCLSA-N 1 1 298.770 3.249 20 5 CGBDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000230261315 623230035 /nfs/dbraw/zinc/23/00/35/623230035.db2.gz QRSFOSDGXRQXOC-AWEZNQCLSA-N 1 1 298.770 3.249 20 5 CGBDMO CSCC[C@H](C)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172433380 623249518 /nfs/dbraw/zinc/24/95/18/623249518.db2.gz BEUYFPPARWUEID-JTQLQIEISA-N 1 1 286.372 3.307 20 5 CGBDMO CC(C)(/C=C/Cl)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000922649469 626023606 /nfs/dbraw/zinc/02/36/06/626023606.db2.gz WHJVWLKRMBCOFE-AATRIKPKSA-N 1 1 272.707 3.355 20 5 CGBDMO CC[C@H]1CCC[N@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761292057 627030649 /nfs/dbraw/zinc/03/06/49/627030649.db2.gz XUTAHLINSKTAEY-LBPRGKRZSA-N 1 1 288.351 3.085 20 5 CGBDMO CC(C)[N@@H+](CCC(=O)C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000767363029 627401823 /nfs/dbraw/zinc/40/18/23/627401823.db2.gz GEJYPFASEJWTGL-UHFFFAOYSA-N 1 1 290.363 3.174 20 5 CGBDMO C[C@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774636041 628010914 /nfs/dbraw/zinc/01/09/14/628010914.db2.gz JGWQMLDJJVQZNT-VIFPVBQESA-N 1 1 294.742 3.040 20 5 CGBDMO C[C@H]1CCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774636041 628010916 /nfs/dbraw/zinc/01/09/16/628010916.db2.gz JGWQMLDJJVQZNT-VIFPVBQESA-N 1 1 294.742 3.040 20 5 CGBDMO CCC(CC)C[N@@H+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279566 628188664 /nfs/dbraw/zinc/18/86/64/628188664.db2.gz YIMLDPWJCLOMPA-INIZCTEOSA-N 1 1 294.395 3.386 20 5 CGBDMO CC[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584998 628221159 /nfs/dbraw/zinc/22/11/59/628221159.db2.gz QTAGETCXTRCRHB-BBRMVZONSA-N 1 1 292.379 3.140 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CC2CC2)C2CCC2)cc1F ZINC000801555154 630343056 /nfs/dbraw/zinc/34/30/56/630343056.db2.gz FFRPERFFHCJQCB-UHFFFAOYSA-N 1 1 278.327 3.498 20 5 CGBDMO Cc1nn(C[N@@H+]2CCC[C@@H](CC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000120707194 630452718 /nfs/dbraw/zinc/45/27/18/630452718.db2.gz DFQBABYXXSCONI-AWEZNQCLSA-N 1 1 294.399 3.124 20 5 CGBDMO Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000878315615 635458459 /nfs/dbraw/zinc/45/84/59/635458459.db2.gz SMEYIFPEJYFPHG-NSHDSACASA-N 1 1 288.269 3.287 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000878315615 635458465 /nfs/dbraw/zinc/45/84/65/635458465.db2.gz SMEYIFPEJYFPHG-NSHDSACASA-N 1 1 288.269 3.287 20 5 CGBDMO CO[C@H]1CC[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000821391716 632762841 /nfs/dbraw/zinc/76/28/41/632762841.db2.gz PQGVPODLXPSETE-YPMHNXCESA-N 1 1 298.770 3.248 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879959759 635889117 /nfs/dbraw/zinc/88/91/17/635889117.db2.gz RQXDYGASOFNCOX-OCCSQVGLSA-N 1 1 292.379 3.139 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866581946 633201900 /nfs/dbraw/zinc/20/19/00/633201900.db2.gz FSGRGWJPEOGDEH-MRVWCRGKSA-N 1 1 292.404 3.341 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880148123 635925323 /nfs/dbraw/zinc/92/53/23/635925323.db2.gz RMHUNIJDIOYULG-STQMWFEESA-N 1 1 292.379 3.057 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000824814441 633294934 /nfs/dbraw/zinc/29/49/34/633294934.db2.gz ADVUPALROZQULO-IINYFYTJSA-N 1 1 298.770 3.105 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](CF)C1 ZINC000880299784 635970068 /nfs/dbraw/zinc/97/00/68/635970068.db2.gz XSYPUCAFHBIJDC-RYUDHWBXSA-N 1 1 266.316 3.256 20 5 CGBDMO CC(C)CC(=O)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000827712994 633511674 /nfs/dbraw/zinc/51/16/74/633511674.db2.gz REBZTKGBJHOUOS-UHFFFAOYSA-N 1 1 278.352 3.032 20 5 CGBDMO CC(C)CC(=O)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000827712994 633511682 /nfs/dbraw/zinc/51/16/82/633511682.db2.gz REBZTKGBJHOUOS-UHFFFAOYSA-N 1 1 278.352 3.032 20 5 CGBDMO CC[C@H](C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)OC ZINC000842153285 635298171 /nfs/dbraw/zinc/29/81/71/635298171.db2.gz MZGXCSNHVRIRBH-GFCCVEGCSA-N 1 1 286.759 3.105 20 5 CGBDMO CC[C@H](C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)OC ZINC000842153285 635298181 /nfs/dbraw/zinc/29/81/81/635298181.db2.gz MZGXCSNHVRIRBH-GFCCVEGCSA-N 1 1 286.759 3.105 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879621887 635819453 /nfs/dbraw/zinc/81/94/53/635819453.db2.gz GKONLSYTVGLGMC-OCCSQVGLSA-N 1 1 292.379 3.057 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000880293666 635966572 /nfs/dbraw/zinc/96/65/72/635966572.db2.gz NTSDVULBXGQQCK-VIFPVBQESA-N 1 1 272.707 3.040 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H](CF)C1 ZINC000880293666 635966579 /nfs/dbraw/zinc/96/65/79/635966579.db2.gz NTSDVULBXGQQCK-VIFPVBQESA-N 1 1 272.707 3.040 20 5 CGBDMO CC[C@@H]1CCCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886019156 637367038 /nfs/dbraw/zinc/36/70/38/637367038.db2.gz MPMQDODEIOWKFJ-CYBMUJFWSA-N 1 1 263.341 3.144 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCCC12CCCCC2 ZINC000886090040 637404527 /nfs/dbraw/zinc/40/45/27/637404527.db2.gz OOVRZGLMJMUBEY-UHFFFAOYSA-N 1 1 275.352 3.289 20 5 CGBDMO Cc1ccc([C@H]2CC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)cc1 ZINC000886125090 637426296 /nfs/dbraw/zinc/42/62/96/637426296.db2.gz JASNZKXCHALGCR-HNNXBMFYSA-N 1 1 297.358 3.288 20 5 CGBDMO CC[C@@H](C)[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000852291756 637628934 /nfs/dbraw/zinc/62/89/34/637628934.db2.gz YSDHUPLGTVWOBV-SNVBAGLBSA-N 1 1 281.312 3.123 20 5 CGBDMO CC[N@H+]1CCCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853301291 637804599 /nfs/dbraw/zinc/80/45/99/637804599.db2.gz XPQRGQPQBSNCJX-UHFFFAOYSA-N 1 1 299.321 3.064 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@H](C)CC1 ZINC000932346190 639317067 /nfs/dbraw/zinc/31/70/67/639317067.db2.gz HEWCUZGDGRVOKK-CHWSQXEVSA-N 1 1 278.352 3.075 20 5 CGBDMO CN(C)c1ccc2[nH]c(Cc3ccccc3[N+](=O)[O-])[nH+]c2c1 ZINC001250616782 805727780 /nfs/dbraw/zinc/72/77/80/805727780.db2.gz GCQOMHTWHQECAA-UHFFFAOYSA-N 1 1 296.330 3.128 20 5 CGBDMO C[NH+](C)Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC001250950375 805807120 /nfs/dbraw/zinc/80/71/20/805807120.db2.gz COKGDQGUAXJIQG-UHFFFAOYSA-N 1 1 296.330 3.200 20 5 CGBDMO C[N@@H+]1CCc2c(NCC(C)(C)C)ccc([N+](=O)[O-])c2C1 ZINC001161642483 806410284 /nfs/dbraw/zinc/41/02/84/806410284.db2.gz UFQHYBJPGSMLKN-UHFFFAOYSA-N 1 1 277.368 3.041 20 5 CGBDMO C[N@H+]1CCc2c(NCC(C)(C)C)ccc([N+](=O)[O-])c2C1 ZINC001161642483 806410289 /nfs/dbraw/zinc/41/02/89/806410289.db2.gz UFQHYBJPGSMLKN-UHFFFAOYSA-N 1 1 277.368 3.041 20 5 CGBDMO Cc1ccc(C[N@H+](C)[C@@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC001254564084 806451259 /nfs/dbraw/zinc/45/12/59/806451259.db2.gz IITMLEMQQXWGFY-AWEZNQCLSA-N 1 1 299.374 3.361 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596416 806457052 /nfs/dbraw/zinc/45/70/52/806457052.db2.gz DNTMYNKDAFGFBY-BFQNTYOBSA-N 1 1 274.364 3.325 20 5 CGBDMO C[N@@H+](C[C@H]1CC1(C)C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604754 806460267 /nfs/dbraw/zinc/46/02/67/806460267.db2.gz XLQWSEXFBGSRSQ-UKRRQHHQSA-N 1 1 274.364 3.040 20 5 CGBDMO CCCC[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)[C@H](C)CC ZINC000123692836 798995110 /nfs/dbraw/zinc/99/51/10/798995110.db2.gz DJGZNQNDQQKKCK-LLVKDONJSA-N 1 1 282.388 3.266 20 5 CGBDMO C[C@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000705458149 799949327 /nfs/dbraw/zinc/94/93/27/799949327.db2.gz NTKXBJJTWMRMQK-NSHDSACASA-N 1 1 266.316 3.356 20 5 CGBDMO CCc1ncc(CNc2ccc([N+](=O)[O-])cc2C(F)F)[nH]1 ZINC001164243256 806921414 /nfs/dbraw/zinc/92/14/14/806921414.db2.gz IPQUWXMHTHMRHN-UHFFFAOYSA-N 1 1 296.277 3.430 20 5 CGBDMO Cc1[nH+]ccn1CCNc1cc(C)c([N+](=O)[O-])cc1Cl ZINC001120954018 802797141 /nfs/dbraw/zinc/79/71/41/802797141.db2.gz SYQYTNCJGHKUEN-UHFFFAOYSA-N 1 1 294.742 3.174 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCCC[C@H]2c2cccnc2)C1 ZINC001169021870 807553945 /nfs/dbraw/zinc/55/39/45/807553945.db2.gz ASWRGDVIOMMHSX-BPUTZDHNSA-N 1 1 289.379 3.054 20 5 CGBDMO C[N@@H+](Cc1ccccc1Cl)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169027821 807554070 /nfs/dbraw/zinc/55/40/70/807554070.db2.gz QUBCKPAYELYQGG-WCQYABFASA-N 1 1 282.771 3.217 20 5 CGBDMO C[N@@H+](CCc1cccc(Cl)c1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036440 807555318 /nfs/dbraw/zinc/55/53/18/807555318.db2.gz OLKJUNZEJPYAMN-HIFRSBDPSA-N 1 1 296.798 3.260 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCc3cccc(Cl)c3C2)C1 ZINC001169036510 807555325 /nfs/dbraw/zinc/55/53/25/807555325.db2.gz GFARUBUXSKVDTO-WCQYABFASA-N 1 1 294.782 3.144 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2c2cccs2)C1 ZINC001169030318 807555999 /nfs/dbraw/zinc/55/59/99/807555999.db2.gz YQSAIRRDAMUIFE-UPJWGTAASA-N 1 1 280.393 3.330 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H](c3ccc(F)cc3)C2)C1 ZINC001169039772 807557019 /nfs/dbraw/zinc/55/70/19/807557019.db2.gz TUDIIPINMGDZNM-INWMFGNUSA-N 1 1 292.354 3.060 20 5 CGBDMO CC1(C)C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169039260 807557264 /nfs/dbraw/zinc/55/72/64/807557264.db2.gz OSEIKYGSLWJAQH-DZGCQCFKSA-N 1 1 288.391 3.225 20 5 CGBDMO C[C@H]1c2ccccc2CC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169056804 807562421 /nfs/dbraw/zinc/56/24/21/807562421.db2.gz SUAPLHGCYNDSJJ-YDHLFZDLSA-N 1 1 274.364 3.051 20 5 CGBDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001261638135 807771116 /nfs/dbraw/zinc/77/11/16/807771116.db2.gz RJQIUAXPGAMMCK-CHWSQXEVSA-N 1 1 298.383 3.450 20 5 CGBDMO CCC[N@@H+](CC)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184918 808533711 /nfs/dbraw/zinc/53/37/11/808533711.db2.gz PJBAHMBCOHKOFH-NSHDSACASA-N 1 1 298.358 3.405 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC(C)C1 ZINC001173222527 808539913 /nfs/dbraw/zinc/53/99/13/808539913.db2.gz SUYXKUMUJPMCOS-AVERBVTBSA-N 1 1 262.353 3.256 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCOC(C)(C)C1 ZINC001173227596 808541245 /nfs/dbraw/zinc/54/12/45/808541245.db2.gz REWIQSKFJFZFIJ-CYBMUJFWSA-N 1 1 292.379 3.027 20 5 CGBDMO Cc1ccc(C[N@H+](C)[C@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173231005 808542400 /nfs/dbraw/zinc/54/24/00/808542400.db2.gz IGYLAENHWASBTR-CQSZACIVSA-N 1 1 299.374 3.361 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](F)CC1 ZINC001173229399 808542893 /nfs/dbraw/zinc/54/28/93/808542893.db2.gz UEGFEJBNKVNYBA-TZMCWYRMSA-N 1 1 280.343 3.350 20 5 CGBDMO Cc1[nH+]c2ccccn2c1Nc1ccc([N+](=O)[O-])cc1 ZINC001174476784 809031890 /nfs/dbraw/zinc/03/18/90/809031890.db2.gz FPRQZLQNUKPXCQ-UHFFFAOYSA-N 1 1 268.276 3.295 20 5 CGBDMO Cc1cc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])s1 ZINC001186871939 810367060 /nfs/dbraw/zinc/36/70/60/810367060.db2.gz DYCVVUAUFGYWNQ-WCQYABFASA-N 1 1 295.408 3.394 20 5 CGBDMO CC(=O)Nc1cc(Nc2ccc(C)cc2[N+](=O)[O-])cc[nH+]1 ZINC001214167340 815374846 /nfs/dbraw/zinc/37/48/46/815374846.db2.gz HBWYQEFVTWCKAE-UHFFFAOYSA-N 1 1 286.291 3.000 20 5 CGBDMO CCC[C@]1(C)CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001191258632 810693757 /nfs/dbraw/zinc/69/37/57/810693757.db2.gz OUFIZLKKCDMEFX-OAHLLOKOSA-N 1 1 277.368 3.392 20 5 CGBDMO CC1(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC001204580149 812680750 /nfs/dbraw/zinc/68/07/50/812680750.db2.gz MAVVPRBZXWTFEX-UHFFFAOYSA-N 1 1 260.337 3.491 20 5 CGBDMO CC1(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC001204580149 812680753 /nfs/dbraw/zinc/68/07/53/812680753.db2.gz MAVVPRBZXWTFEX-UHFFFAOYSA-N 1 1 260.337 3.491 20 5 CGBDMO CCOCC[N@@H+](CC)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001204859140 812755706 /nfs/dbraw/zinc/75/57/06/812755706.db2.gz ANVPSENZYNLDGY-UHFFFAOYSA-N 1 1 280.368 3.070 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1Nc1cnc2c(c1)C[N@@H+](C)CC2 ZINC001211286414 814869976 /nfs/dbraw/zinc/86/99/76/814869976.db2.gz TWCDZZNRFSBTIY-UHFFFAOYSA-N 1 1 298.346 3.030 20 5 CGBDMO C[C@H](O[C@H]1CCC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001223429541 816629085 /nfs/dbraw/zinc/62/90/85/816629085.db2.gz LMKAPZITRDQBSH-WFASDCNBSA-N 1 1 278.352 3.157 20 5 CGBDMO CC(C)[N@H+]1CC[C@H](O[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001224027445 816722977 /nfs/dbraw/zinc/72/29/77/816722977.db2.gz VIWAJNYKVUXYDC-WFASDCNBSA-N 1 1 278.352 3.155 20 5 CGBDMO Cc1cc(C)c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001228229175 817845168 /nfs/dbraw/zinc/84/51/68/817845168.db2.gz FIBSSBRFGOMDGX-BTTYYORXSA-N 1 1 290.363 3.216 20 5 CGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001228257747 817853452 /nfs/dbraw/zinc/85/34/52/817853452.db2.gz LFCKXINMOWSPLR-CYBMUJFWSA-N 1 1 298.770 3.500 20 5 CGBDMO CC1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001340001722 936394428 /nfs/dbraw/zinc/39/44/28/936394428.db2.gz PXBBJVTZTLQENR-UHFFFAOYSA-N 1 1 262.353 3.258 20 5 CGBDMO CC(C)(C)OC1CC([N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001340377160 936403852 /nfs/dbraw/zinc/40/38/52/936403852.db2.gz RNHFCIVVJFBXOZ-UHFFFAOYSA-N 1 1 290.363 3.257 20 5 CGBDMO CC(C)(C)OC1CC([N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001340377160 936403855 /nfs/dbraw/zinc/40/38/55/936403855.db2.gz RNHFCIVVJFBXOZ-UHFFFAOYSA-N 1 1 290.363 3.257 20 5 CGBDMO CC[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001459982452 928729899 /nfs/dbraw/zinc/72/98/99/928729899.db2.gz GXDOTFSDOIFWRM-TZMCWYRMSA-N 1 1 262.353 3.258 20 5 CGBDMO C[C@H](Cc1ccsc1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC001459620539 937494178 /nfs/dbraw/zinc/49/41/78/937494178.db2.gz IKYBACOMLJKOTF-LLVKDONJSA-N 1 1 291.376 3.114 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCC1CCC1)CC2 ZINC001459659391 937494872 /nfs/dbraw/zinc/49/48/72/937494872.db2.gz YLTFZEWBRYIHCI-UHFFFAOYSA-N 1 1 260.337 3.143 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001228920846 932051462 /nfs/dbraw/zinc/05/14/62/932051462.db2.gz JOACAVGCNIPPFQ-CQSZACIVSA-N 1 1 278.352 3.155 20 5 CGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229378853 932142305 /nfs/dbraw/zinc/14/23/05/932142305.db2.gz AVQNGMBUBHKUSY-GFCCVEGCSA-N 1 1 298.770 3.500 20 5 CGBDMO CC[N@H+]1CCC[C@H](Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229381612 932142507 /nfs/dbraw/zinc/14/25/07/932142507.db2.gz UAIQDSDDHCAMHQ-NSHDSACASA-N 1 1 284.743 3.111 20 5 CGBDMO Cc1cc(O[C@H]2CCC[N@H+](C)CC2)cc(C)c1[N+](=O)[O-] ZINC001229466938 932155905 /nfs/dbraw/zinc/15/59/05/932155905.db2.gz ZFKHVPRSZDGLBA-ZDUSSCGKSA-N 1 1 278.352 3.075 20 5 CGBDMO CC[N@H+]1CCC[C@@H](Oc2cc(C)c(C)c([N+](=O)[O-])c2)C1 ZINC001230476911 932576073 /nfs/dbraw/zinc/57/60/73/932576073.db2.gz HIHLZYVBOGGOGZ-CYBMUJFWSA-N 1 1 278.352 3.075 20 5 CGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc(Cl)c1[N+](=O)[O-])C2 ZINC001230917869 932641882 /nfs/dbraw/zinc/64/18/82/932641882.db2.gz KUYHRDDCKZMZEA-URLYPYJESA-N 1 1 296.754 3.252 20 5 CGBDMO Cc1cc([C@@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])c(C)o1 ZINC001331252776 932685943 /nfs/dbraw/zinc/68/59/43/932685943.db2.gz IYPLVSDYNWCSEC-SNVBAGLBSA-N 1 1 275.308 3.050 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC001329878018 935250470 /nfs/dbraw/zinc/25/04/70/935250470.db2.gz KIOBFQBBMVCPRB-MBNYWOFBSA-N 1 1 272.348 3.347 20 5 CGBDMO C[C@H](C1CC1)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000124686034 187148586 /nfs/dbraw/zinc/14/85/86/187148586.db2.gz OIXQPIUAFRENFS-GFCCVEGCSA-N 1 1 278.352 3.094 20 5 CGBDMO CN(CCc1cccc([N+](=O)[O-])c1)c1cc[nH+]cc1Cl ZINC000337814947 214272792 /nfs/dbraw/zinc/27/27/92/214272792.db2.gz NZPYRORNKUIJOP-UHFFFAOYSA-N 1 1 291.738 3.322 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000047264514 345050059 /nfs/dbraw/zinc/05/00/59/345050059.db2.gz BQYBOKQVHYYDSB-AOOOYVTPSA-N 1 1 254.355 3.134 20 5 CGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C(C1CC1)C1CC1 ZINC000050988789 345086244 /nfs/dbraw/zinc/08/62/44/345086244.db2.gz BSANUFJOSNQTMJ-UHFFFAOYSA-N 1 1 290.363 3.094 20 5 CGBDMO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(C)C ZINC000065299242 345271384 /nfs/dbraw/zinc/27/13/84/345271384.db2.gz DJVJXNOTRSCKEQ-LBPRGKRZSA-N 1 1 250.342 3.461 20 5 CGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000075023030 345491292 /nfs/dbraw/zinc/49/12/92/345491292.db2.gz OSOMXKVNQGWCBL-GHMZBOCLSA-N 1 1 266.316 3.354 20 5 CGBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000077994989 345588353 /nfs/dbraw/zinc/58/83/53/345588353.db2.gz MAYQYGNUFFXPSD-UHFFFAOYSA-N 1 1 289.379 3.050 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000142162793 346110873 /nfs/dbraw/zinc/11/08/73/346110873.db2.gz RJOYWHGPTBBKQG-INIZCTEOSA-N 1 1 283.331 3.327 20 5 CGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])s1 ZINC000588865089 346771552 /nfs/dbraw/zinc/77/15/52/346771552.db2.gz MJVYCOQBNVJUAZ-JTQLQIEISA-N 1 1 271.386 3.189 20 5 CGBDMO CCCC[N@@H+](CC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589494309 346798347 /nfs/dbraw/zinc/79/83/47/346798347.db2.gz IGSNLYIQFRBSJW-UHFFFAOYSA-N 1 1 294.351 3.003 20 5 CGBDMO O=[N+]([O-])c1sccc1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594601947 347199791 /nfs/dbraw/zinc/19/97/91/347199791.db2.gz PWXOVTMPYACNHR-PWSUYJOCSA-N 1 1 281.381 3.085 20 5 CGBDMO CSC[C@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595352887 347296019 /nfs/dbraw/zinc/29/60/19/347296019.db2.gz QCLGOOUDBAXELI-GFCCVEGCSA-N 1 1 284.356 3.061 20 5 CGBDMO CC[C@H](C)[N@@H+](CC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000595598515 347323601 /nfs/dbraw/zinc/32/36/01/347323601.db2.gz FQVHSUZJZRQPMP-JTQLQIEISA-N 1 1 284.331 3.363 20 5 CGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@H]4C[C@H]4C3)co2)cc1 ZINC000595813218 347357902 /nfs/dbraw/zinc/35/79/02/347357902.db2.gz ZAJKIDWFYZFSHU-STQMWFEESA-N 1 1 299.330 3.092 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000596305903 347414265 /nfs/dbraw/zinc/41/42/65/347414265.db2.gz CPWJVRLMRBETJH-LLVKDONJSA-N 1 1 295.358 3.266 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000596309269 347414933 /nfs/dbraw/zinc/41/49/33/347414933.db2.gz XHAXMDPXNVMRTO-ZDUSSCGKSA-N 1 1 291.395 3.436 20 5 CGBDMO Cc1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596157010 347391942 /nfs/dbraw/zinc/39/19/42/347391942.db2.gz WKYFBRVAPQJIJC-PSASIEDQSA-N 1 1 281.381 3.002 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[NH+]1CC(Cc2ccsc2)C1 ZINC000598678228 347678024 /nfs/dbraw/zinc/67/80/24/347678024.db2.gz OXUFORADCFIIKW-UHFFFAOYSA-N 1 1 288.372 3.331 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC(F)(F)CC2)cc1 ZINC000599551862 347753436 /nfs/dbraw/zinc/75/34/36/347753436.db2.gz SWCMDKHVWZGFOG-UHFFFAOYSA-N 1 1 270.279 3.216 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000599553357 347754505 /nfs/dbraw/zinc/75/45/05/347754505.db2.gz QIEAXHZPPWUIAP-KGLIPLIRSA-N 1 1 278.377 3.065 20 5 CGBDMO Cc1c(Cn2cc[nH+]c2C2CC2)cccc1[N+](=O)[O-] ZINC000600611064 347814188 /nfs/dbraw/zinc/81/41/88/347814188.db2.gz LMPSETNDLJJGAC-UHFFFAOYSA-N 1 1 257.293 3.025 20 5 CGBDMO CC[N@H+](CCC(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000604525376 348123603 /nfs/dbraw/zinc/12/36/03/348123603.db2.gz WEQNVQSYCKZMHI-UHFFFAOYSA-N 1 1 276.258 3.369 20 5 CGBDMO CC[N@@H+](CCC(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000604525376 348123604 /nfs/dbraw/zinc/12/36/04/348123604.db2.gz WEQNVQSYCKZMHI-UHFFFAOYSA-N 1 1 276.258 3.369 20 5 CGBDMO Cc1[nH+]ccn1CCCCNc1ccsc1[N+](=O)[O-] ZINC000610279392 348370786 /nfs/dbraw/zinc/37/07/86/348370786.db2.gz IDXBYIJYZVGQJZ-UHFFFAOYSA-N 1 1 280.353 3.054 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc(O)cc2)C2CC2)cc1 ZINC000610000911 348360241 /nfs/dbraw/zinc/36/02/41/348360241.db2.gz AXJWNHJBGYVIDA-UHFFFAOYSA-N 1 1 298.342 3.465 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610133374 348363852 /nfs/dbraw/zinc/36/38/52/348363852.db2.gz LHSBMBUISJBAFV-QWHCGFSZSA-N 1 1 278.352 3.094 20 5 CGBDMO CCCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000351971229 219270332 /nfs/dbraw/zinc/27/03/32/219270332.db2.gz RDUXNCBRPANWDN-UHFFFAOYSA-N 1 1 278.352 3.368 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](CCO)C1 ZINC000611515995 348458066 /nfs/dbraw/zinc/45/80/66/348458066.db2.gz YMIRYBWVSFDBIQ-UONOGXRCSA-N 1 1 292.379 3.059 20 5 CGBDMO CC[N@@H+](C[C@@H]1CCOC1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000611515326 348458191 /nfs/dbraw/zinc/45/81/91/348458191.db2.gz JGQQXQJDRAHFTG-KBPBESRZSA-N 1 1 292.379 3.323 20 5 CGBDMO CC[N@@H+](CCC1CC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000612829039 348548952 /nfs/dbraw/zinc/54/89/52/348548952.db2.gz FJVVOMRJYRVDKI-UHFFFAOYSA-N 1 1 289.335 3.358 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000612578564 348529603 /nfs/dbraw/zinc/52/96/03/348529603.db2.gz VYEDWEYTKMLHTH-UHFFFAOYSA-N 1 1 290.363 3.048 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000612578564 348529608 /nfs/dbraw/zinc/52/96/08/348529608.db2.gz VYEDWEYTKMLHTH-UHFFFAOYSA-N 1 1 290.363 3.048 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000351983661 219275540 /nfs/dbraw/zinc/27/55/40/219275540.db2.gz IOMRZCALENUGBN-ZDUSSCGKSA-N 1 1 278.352 3.224 20 5 CGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@H+]2C2CC2)s1 ZINC000617976627 349032263 /nfs/dbraw/zinc/03/22/63/349032263.db2.gz ABHWQTHJUFPULL-NSHDSACASA-N 1 1 281.381 3.085 20 5 CGBDMO Cc1noc(C)c1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000153940613 188112502 /nfs/dbraw/zinc/11/25/02/188112502.db2.gz RJTCGZNAEYJIET-SNVBAGLBSA-N 1 1 289.335 3.359 20 5 CGBDMO Cc1c(C[N@H+](Cc2cccnc2)C2CC2)cccc1[N+](=O)[O-] ZINC000124713468 138377643 /nfs/dbraw/zinc/37/76/43/138377643.db2.gz QBOCYGQYJKNOKI-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1c(C[N@@H+](Cc2cccnc2)C2CC2)cccc1[N+](=O)[O-] ZINC000124713468 138377644 /nfs/dbraw/zinc/37/76/44/138377644.db2.gz QBOCYGQYJKNOKI-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO C[C@H]([NH2+]Cc1ccncc1Cl)c1ccccc1[N+](=O)[O-] ZINC000342291367 216294881 /nfs/dbraw/zinc/29/48/81/216294881.db2.gz CVRXUOVZSJZMQT-JTQLQIEISA-N 1 1 291.738 3.494 20 5 CGBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000301517950 201041674 /nfs/dbraw/zinc/04/16/74/201041674.db2.gz DGYPEZQSPQDBHA-AWEZNQCLSA-N 1 1 277.368 3.190 20 5 CGBDMO COc1cc(Cn2cc[nH+]c2C(C)C)c([N+](=O)[O-])cc1F ZINC000183867434 189369589 /nfs/dbraw/zinc/36/95/89/189369589.db2.gz JXYBRWKXHJGQFJ-UHFFFAOYSA-N 1 1 293.298 3.111 20 5 CGBDMO Cc1ccc(NC[C@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000301807674 201211059 /nfs/dbraw/zinc/21/10/59/201211059.db2.gz FVSNHPNHOHGAAA-CQSZACIVSA-N 1 1 291.395 3.436 20 5 CGBDMO COc1ccc(C[N@H+]2[C@@H](C)CCC2(C)C)cc1[N+](=O)[O-] ZINC000452003984 240394665 /nfs/dbraw/zinc/39/46/65/240394665.db2.gz GZTNFOWKDGNCSL-NSHDSACASA-N 1 1 278.352 3.366 20 5 CGBDMO CC[N@H+]1CCC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000121697497 370887284 /nfs/dbraw/zinc/88/72/84/370887284.db2.gz DBQJDAMCXDMSIS-SNVBAGLBSA-N 1 1 299.321 3.017 20 5 CGBDMO CC[C@H](NCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000037010523 369049823 /nfs/dbraw/zinc/04/98/23/369049823.db2.gz JVGDJJAVSRWYCS-INIZCTEOSA-N 1 1 291.395 3.121 20 5 CGBDMO O=[N+]([O-])c1ccc(CCNc2[nH]c3ccccc3[nH+]2)cc1 ZINC000040676177 369160056 /nfs/dbraw/zinc/16/00/56/369160056.db2.gz PMWIZMJNQVSLMF-UHFFFAOYSA-N 1 1 282.303 3.126 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C/C=C/c1ccncc1)CC2 ZINC000494927368 244330669 /nfs/dbraw/zinc/33/06/69/244330669.db2.gz AQNLWFUIEULAMW-OWOJBTEDSA-N 1 1 295.342 3.061 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C/C=C/c1ccncc1)CC2 ZINC000494927368 244330675 /nfs/dbraw/zinc/33/06/75/244330675.db2.gz AQNLWFUIEULAMW-OWOJBTEDSA-N 1 1 295.342 3.061 20 5 CGBDMO CCOc1ccccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000048068892 369335445 /nfs/dbraw/zinc/33/54/45/369335445.db2.gz XEAIWQRRHJQSKL-UHFFFAOYSA-N 1 1 286.331 3.283 20 5 CGBDMO C[C@@H](N[C@@H](C)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000037153281 296146512 /nfs/dbraw/zinc/14/65/12/296146512.db2.gz JUEGLXRTROWGGY-UONOGXRCSA-N 1 1 291.395 3.120 20 5 CGBDMO CS[C@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276337331 193291994 /nfs/dbraw/zinc/29/19/94/193291994.db2.gz SMNQEHOTIXDOGQ-LBPRGKRZSA-N 1 1 298.383 3.451 20 5 CGBDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276337330 193292650 /nfs/dbraw/zinc/29/26/50/193292650.db2.gz SMNQEHOTIXDOGQ-GFCCVEGCSA-N 1 1 298.383 3.451 20 5 CGBDMO Cc1c(C[N@H+]([C@@H](C)CO)C2CCCC2)cccc1[N+](=O)[O-] ZINC000276440895 193331594 /nfs/dbraw/zinc/33/15/94/193331594.db2.gz LDVCTQFGDNIKDT-LBPRGKRZSA-N 1 1 292.379 3.029 20 5 CGBDMO CC[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCS1 ZINC000093502141 370134936 /nfs/dbraw/zinc/13/49/36/370134936.db2.gz YPQCQEZPTPRXKA-CYBMUJFWSA-N 1 1 280.393 3.231 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000102926919 370314039 /nfs/dbraw/zinc/31/40/39/370314039.db2.gz OJLUJAPFMYRJON-CQSZACIVSA-N 1 1 260.337 3.359 20 5 CGBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC000116273468 370555299 /nfs/dbraw/zinc/55/52/99/370555299.db2.gz LBOMQVZNDLSGRQ-UHFFFAOYSA-N 1 1 254.717 3.090 20 5 CGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336810829 213676933 /nfs/dbraw/zinc/67/69/33/213676933.db2.gz JPTVQCSEHZTFCF-PWSUYJOCSA-N 1 1 266.316 3.497 20 5 CGBDMO CC[N@@H+](CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000156605802 371988144 /nfs/dbraw/zinc/98/81/44/371988144.db2.gz ZRCMRMYLCDDPKB-AWEZNQCLSA-N 1 1 293.411 3.284 20 5 CGBDMO CCN(CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000156605802 371988145 /nfs/dbraw/zinc/98/81/45/371988145.db2.gz ZRCMRMYLCDDPKB-AWEZNQCLSA-N 1 1 293.411 3.284 20 5 CGBDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430214531 372386243 /nfs/dbraw/zinc/38/62/43/372386243.db2.gz ZVEJSFKETSJWEC-AAEUAGOBSA-N 1 1 278.352 3.366 20 5 CGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000441441147 373013574 /nfs/dbraw/zinc/01/35/74/373013574.db2.gz AUYCOONTPSTTSQ-CJNGLKHVSA-N 1 1 290.363 3.238 20 5 CGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000441441592 373014290 /nfs/dbraw/zinc/01/42/90/373014290.db2.gz XGLHSGVZUCOXSM-XJKSGUPXSA-N 1 1 290.363 3.238 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC(C)(C)C1 ZINC000353616294 220192975 /nfs/dbraw/zinc/19/29/75/220192975.db2.gz ZDSLQIUHVPQLBP-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO COC[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000452073049 374226600 /nfs/dbraw/zinc/22/66/00/374226600.db2.gz ALLVMIFVLGNNTM-KBPBESRZSA-N 1 1 292.379 3.404 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000311878729 374259148 /nfs/dbraw/zinc/25/91/48/374259148.db2.gz MSJDYOANROGDHW-QWRGUYRKSA-N 1 1 266.316 3.354 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000182591246 374293867 /nfs/dbraw/zinc/29/38/67/374293867.db2.gz IHPRDJDKYGHEDZ-GFCCVEGCSA-N 1 1 278.352 3.075 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000182591246 374293868 /nfs/dbraw/zinc/29/38/68/374293868.db2.gz IHPRDJDKYGHEDZ-GFCCVEGCSA-N 1 1 278.352 3.075 20 5 CGBDMO Cc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)o1 ZINC000183232240 374388090 /nfs/dbraw/zinc/38/80/90/374388090.db2.gz VJFKRTGGPGACRQ-UHFFFAOYSA-N 1 1 274.320 3.437 20 5 CGBDMO Cc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)o1 ZINC000183232240 374388100 /nfs/dbraw/zinc/38/81/00/374388100.db2.gz VJFKRTGGPGACRQ-UHFFFAOYSA-N 1 1 274.320 3.437 20 5 CGBDMO Cc1ccccc1[C@H](C)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332538135 374578754 /nfs/dbraw/zinc/57/87/54/374578754.db2.gz WFCXXCMKXFVJDU-ZDUSSCGKSA-N 1 1 297.358 3.418 20 5 CGBDMO Cc1ccccc1[C@H](C)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332538135 374578759 /nfs/dbraw/zinc/57/87/59/374578759.db2.gz WFCXXCMKXFVJDU-ZDUSSCGKSA-N 1 1 297.358 3.418 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492759737 375452714 /nfs/dbraw/zinc/45/27/14/375452714.db2.gz XJJHICMWXPCVOG-QWHCGFSZSA-N 1 1 292.379 3.471 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](c3ccncc3)C2)c1 ZINC000289478431 197366917 /nfs/dbraw/zinc/36/69/17/197366917.db2.gz ZQWLZACKJGHLMJ-INIZCTEOSA-N 1 1 297.358 3.369 20 5 CGBDMO C[C@@H]1CCCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509148976 375774577 /nfs/dbraw/zinc/77/45/77/375774577.db2.gz CMXISDPGUQYMSK-SNVBAGLBSA-N 1 1 284.306 3.495 20 5 CGBDMO C[C@@H]1CCCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509148976 375774580 /nfs/dbraw/zinc/77/45/80/375774580.db2.gz CMXISDPGUQYMSK-SNVBAGLBSA-N 1 1 284.306 3.495 20 5 CGBDMO CC(C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000336810111 375961237 /nfs/dbraw/zinc/96/12/37/375961237.db2.gz HDPPAORAHFOFIU-UHFFFAOYSA-N 1 1 266.316 3.354 20 5 CGBDMO CC(C)[N@@H+](C)CCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000221679092 376219364 /nfs/dbraw/zinc/21/93/64/376219364.db2.gz XZMAEVZUGMBZTH-UHFFFAOYSA-N 1 1 285.775 3.390 20 5 CGBDMO CCC[N@@H+](CC)CCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000224416281 376280262 /nfs/dbraw/zinc/28/02/62/376280262.db2.gz PBPZQMJXHYPHHY-INIZCTEOSA-N 1 1 293.411 3.367 20 5 CGBDMO CCCN(CC)CC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000224416281 376280270 /nfs/dbraw/zinc/28/02/70/376280270.db2.gz PBPZQMJXHYPHHY-INIZCTEOSA-N 1 1 293.411 3.367 20 5 CGBDMO CCc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000231883825 376575287 /nfs/dbraw/zinc/57/52/87/376575287.db2.gz SQLPJBFAFDOFHB-UHFFFAOYSA-N 1 1 274.320 3.348 20 5 CGBDMO CCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543858326 376684387 /nfs/dbraw/zinc/68/43/87/376684387.db2.gz XVEZBYKHZOVWEV-UHFFFAOYSA-N 1 1 256.733 3.480 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@@H](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000339672384 376798891 /nfs/dbraw/zinc/79/88/91/376798891.db2.gz APKHMJLPJARUIV-AWEZNQCLSA-N 1 1 290.363 3.225 20 5 CGBDMO CCc1ncc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000560351580 377143776 /nfs/dbraw/zinc/14/37/76/377143776.db2.gz HSUKLCSNGOBRAW-LLVKDONJSA-N 1 1 289.335 3.304 20 5 CGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000573737844 377568186 /nfs/dbraw/zinc/56/81/86/377568186.db2.gz CMAGQKXZQNFKNA-GFCCVEGCSA-N 1 1 265.357 3.127 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)C1 ZINC000261469563 377813748 /nfs/dbraw/zinc/81/37/48/377813748.db2.gz UDMIRIKZHBTJTC-LBPRGKRZSA-N 1 1 278.352 3.224 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](C3CC3)C2)c(F)c1 ZINC000343956373 378142546 /nfs/dbraw/zinc/14/25/46/378142546.db2.gz DHDHCRQJFFHZGK-GFCCVEGCSA-N 1 1 278.327 3.356 20 5 CGBDMO CC(C)(C)[C@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269651730 378248822 /nfs/dbraw/zinc/24/88/22/378248822.db2.gz MOEZQFIUOHDSCS-LSDHHAIUSA-N 1 1 292.379 3.139 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC1(O)CCCC1 ZINC000272535439 378659580 /nfs/dbraw/zinc/65/95/80/378659580.db2.gz RFNHJMILAFIQPT-CYBMUJFWSA-N 1 1 292.379 3.201 20 5 CGBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)C1=CC[N@@H+](C)CC1 ZINC000273004312 378733692 /nfs/dbraw/zinc/73/36/92/378733692.db2.gz ROOJRKRUUXQZKY-SNVBAGLBSA-N 1 1 295.770 3.311 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000352415373 379803380 /nfs/dbraw/zinc/80/33/80/379803380.db2.gz AYKGLXBDBSBSDD-AWEZNQCLSA-N 1 1 290.363 3.368 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CC2CC2)C2CCC2)c1 ZINC000355724411 380759728 /nfs/dbraw/zinc/75/97/28/380759728.db2.gz FIZDWMPQGTXNTK-UHFFFAOYSA-N 1 1 260.337 3.359 20 5 CGBDMO CCCC[N@@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000355567730 380712837 /nfs/dbraw/zinc/71/28/37/380712837.db2.gz DDCNGKVYHSZCPF-UHFFFAOYSA-N 1 1 276.340 3.093 20 5 CGBDMO CC(C)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000207390809 542283949 /nfs/dbraw/zinc/28/39/49/542283949.db2.gz YHNUBFWVKWYOPL-CQSZACIVSA-N 1 1 262.353 3.463 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289420951 197338816 /nfs/dbraw/zinc/33/88/16/197338816.db2.gz URIGURWKWRVIEJ-HNNXBMFYSA-N 1 1 297.358 3.369 20 5 CGBDMO CO[C@@H](C)C[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000353783402 220328314 /nfs/dbraw/zinc/32/83/14/220328314.db2.gz WXKOEEKNWWRWHV-ZDUSSCGKSA-N 1 1 280.368 3.149 20 5 CGBDMO CCC[C@]1(CO)CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000288849774 197179342 /nfs/dbraw/zinc/17/93/42/197179342.db2.gz PBSIWBDFZVKMNQ-BBRMVZONSA-N 1 1 292.379 3.140 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCCC[C@H]1C ZINC000358416381 533219970 /nfs/dbraw/zinc/21/99/70/533219970.db2.gz WWJTZRWSJUCSAP-GFCCVEGCSA-N 1 1 278.352 3.368 20 5 CGBDMO CO[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000281801037 195387078 /nfs/dbraw/zinc/38/70/78/195387078.db2.gz VJHNBEIRAOZRBM-JQWIXIFHSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000281801037 195387081 /nfs/dbraw/zinc/38/70/81/195387081.db2.gz VJHNBEIRAOZRBM-JQWIXIFHSA-N 1 1 298.770 3.248 20 5 CGBDMO Cc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000153744299 392528589 /nfs/dbraw/zinc/52/85/89/392528589.db2.gz NCESDCNBULZACH-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000153744299 392528595 /nfs/dbraw/zinc/52/85/95/392528595.db2.gz NCESDCNBULZACH-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO C[C@H]1C[C@H](C)C[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509295792 392741178 /nfs/dbraw/zinc/74/11/78/392741178.db2.gz XIJFGQAOGDZKAK-UWVGGRQHSA-N 1 1 284.306 3.351 20 5 CGBDMO CC[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509297137 392743603 /nfs/dbraw/zinc/74/36/03/392743603.db2.gz VNDAGRYDEDUXIX-SNVBAGLBSA-N 1 1 284.306 3.495 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509297137 392743612 /nfs/dbraw/zinc/74/36/12/392743612.db2.gz VNDAGRYDEDUXIX-SNVBAGLBSA-N 1 1 284.306 3.495 20 5 CGBDMO CCC[C@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000182939249 392752032 /nfs/dbraw/zinc/75/20/32/392752032.db2.gz RVVBVJIEYBNZSX-ZFWWWQNUSA-N 1 1 292.379 3.465 20 5 CGBDMO CCC[C@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000182939249 392752037 /nfs/dbraw/zinc/75/20/37/392752037.db2.gz RVVBVJIEYBNZSX-ZFWWWQNUSA-N 1 1 292.379 3.465 20 5 CGBDMO C[C@H]1CC[C@@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000190917039 392817336 /nfs/dbraw/zinc/81/73/36/392817336.db2.gz JPBUFXSTLNPCEI-WFASDCNBSA-N 1 1 290.363 3.127 20 5 CGBDMO C[C@H]1CC[C@@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000190917039 392817343 /nfs/dbraw/zinc/81/73/43/392817343.db2.gz JPBUFXSTLNPCEI-WFASDCNBSA-N 1 1 290.363 3.127 20 5 CGBDMO C[C@H]1CC[C@@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000191026404 392819474 /nfs/dbraw/zinc/81/94/74/392819474.db2.gz CDHQHVUYGATGJT-LRDDRELGSA-N 1 1 290.363 3.127 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ccccc1[N+](=O)[O-] ZINC000341102746 392983048 /nfs/dbraw/zinc/98/30/48/392983048.db2.gz NDPFPFAXAFHQIC-BETUJISGSA-N 1 1 277.368 3.270 20 5 CGBDMO CC[C@H]1C[C@H](C)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000466910186 393067213 /nfs/dbraw/zinc/06/72/13/393067213.db2.gz DMEQMUUCCULYCT-JSGCOSHPSA-N 1 1 262.353 3.258 20 5 CGBDMO CC[C@@]1(C)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000468114804 393125154 /nfs/dbraw/zinc/12/51/54/393125154.db2.gz GVWOAIUOJIDEEA-HNNXBMFYSA-N 1 1 262.353 3.259 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]1C ZINC000470174912 393228968 /nfs/dbraw/zinc/22/89/68/393228968.db2.gz NVSJNCAXAIVNEY-KIWPFMIBSA-N 1 1 260.337 3.482 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000470173699 393230118 /nfs/dbraw/zinc/23/01/18/393230118.db2.gz MOTKZAWONXHYEJ-IONAJQSGSA-N 1 1 290.363 3.107 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000470173699 393230123 /nfs/dbraw/zinc/23/01/23/393230123.db2.gz MOTKZAWONXHYEJ-IONAJQSGSA-N 1 1 290.363 3.107 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCSC1 ZINC000470180399 393231918 /nfs/dbraw/zinc/23/19/18/393231918.db2.gz MPKUYIAAZINNQJ-INDWDQIESA-N 1 1 292.404 3.435 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](C)C1 ZINC000470176066 393232069 /nfs/dbraw/zinc/23/20/69/393232069.db2.gz HYYKZRYTLOTGQX-FMNNIJNLSA-N 1 1 260.337 3.340 20 5 CGBDMO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc([N+](=O)[O-])cc1 ZINC000271546492 393252551 /nfs/dbraw/zinc/25/25/51/393252551.db2.gz UIHOXTDKKIKMGO-IINYFYTJSA-N 1 1 286.335 3.046 20 5 CGBDMO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc([N+](=O)[O-])cc1 ZINC000271546492 393252565 /nfs/dbraw/zinc/25/25/65/393252565.db2.gz UIHOXTDKKIKMGO-IINYFYTJSA-N 1 1 286.335 3.046 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426219050 393447670 /nfs/dbraw/zinc/44/76/70/393447670.db2.gz VLPIDEREAVDBKO-DAXOMENPSA-N 1 1 292.379 3.200 20 5 CGBDMO C[C@@H]1CC[C@@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000429592241 393489987 /nfs/dbraw/zinc/48/99/87/393489987.db2.gz SIJNFNWTQXSMJT-IUODEOHRSA-N 1 1 262.353 3.258 20 5 CGBDMO C[C@@H]1CC[C@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000429601838 393492439 /nfs/dbraw/zinc/49/24/39/393492439.db2.gz WPVZOWITXUMMFY-OLZOCXBDSA-N 1 1 278.352 3.094 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)CC1(C)C ZINC000430243555 393547785 /nfs/dbraw/zinc/54/77/85/393547785.db2.gz UWMPZTKNILNJKX-NSHDSACASA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@H]1COc2ccccc2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000359838753 393556085 /nfs/dbraw/zinc/55/60/85/393556085.db2.gz CUGJJVWDYLVLCM-ZDUSSCGKSA-N 1 1 298.342 3.378 20 5 CGBDMO C[C@H]1COc2ccccc2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000359838753 393556090 /nfs/dbraw/zinc/55/60/90/393556090.db2.gz CUGJJVWDYLVLCM-ZDUSSCGKSA-N 1 1 298.342 3.378 20 5 CGBDMO C[C@@H]1CC2(CCC2)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000432797295 393641176 /nfs/dbraw/zinc/64/11/76/393641176.db2.gz DJHWUMMJJYBFCI-SNVBAGLBSA-N 1 1 266.366 3.421 20 5 CGBDMO C[C@H]1CC2(CCC2)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000433023517 393670400 /nfs/dbraw/zinc/67/04/00/393670400.db2.gz QRQJLNBQRYDULL-LBPRGKRZSA-N 1 1 260.337 3.359 20 5 CGBDMO CC(C)([NH2+]Cc1cncs1)c1ccccc1[N+](=O)[O-] ZINC000492193062 393702347 /nfs/dbraw/zinc/70/23/47/393702347.db2.gz LXPZVACGYSWWKC-UHFFFAOYSA-N 1 1 277.349 3.076 20 5 CGBDMO CC(C)C[C@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000500457969 393829152 /nfs/dbraw/zinc/82/91/52/393829152.db2.gz PDHHDXZHMXNULF-CQSZACIVSA-N 1 1 292.379 3.484 20 5 CGBDMO CCO[C@@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451533328 394045774 /nfs/dbraw/zinc/04/57/74/394045774.db2.gz WIYBPUNLUQQWSK-DVOMOZLQSA-N 1 1 292.379 3.403 20 5 CGBDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000076063845 165110539 /nfs/dbraw/zinc/11/05/39/165110539.db2.gz URRXXCYRHXZEBO-AWEZNQCLSA-N 1 1 280.393 3.168 20 5 CGBDMO CC[C@@H](C)C[N@@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000091796376 165274832 /nfs/dbraw/zinc/27/48/32/165274832.db2.gz GURRUMVCONXUOL-LLVKDONJSA-N 1 1 296.367 3.090 20 5 CGBDMO CC(C)N1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000020189493 171055785 /nfs/dbraw/zinc/05/57/85/171055785.db2.gz NCROGXDZQJGEFU-CYBMUJFWSA-N 1 1 291.395 3.118 20 5 CGBDMO CC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000020563098 171252640 /nfs/dbraw/zinc/25/26/40/171252640.db2.gz UYADDRRSOIIMNL-NSHDSACASA-N 1 1 283.759 3.144 20 5 CGBDMO C[C@@H](NCC[N@@H+](C)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000071376848 176142005 /nfs/dbraw/zinc/14/20/05/176142005.db2.gz WFAXDLYINVXPLB-CYBMUJFWSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@@H]([NH2+]CCN(C)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000071376848 176142007 /nfs/dbraw/zinc/14/20/07/176142007.db2.gz WFAXDLYINVXPLB-CYBMUJFWSA-N 1 1 291.395 3.120 20 5 CGBDMO COc1ccc(C[N@@H+](C(C)C)C2CCC2)cc1[N+](=O)[O-] ZINC000077357903 177257034 /nfs/dbraw/zinc/25/70/34/177257034.db2.gz JOYZVVGEJVZTDD-UHFFFAOYSA-N 1 1 278.352 3.366 20 5 CGBDMO CC(C)[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCOC1 ZINC000291315529 263121353 /nfs/dbraw/zinc/12/13/53/263121353.db2.gz SAQPQHRICXEEJR-ZDUSSCGKSA-N 1 1 298.770 3.248 20 5 CGBDMO CC(C)[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCOC1 ZINC000291315529 263121354 /nfs/dbraw/zinc/12/13/54/263121354.db2.gz SAQPQHRICXEEJR-ZDUSSCGKSA-N 1 1 298.770 3.248 20 5 CGBDMO C[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000525120857 270117083 /nfs/dbraw/zinc/11/70/83/270117083.db2.gz ARIYQEPNDLWBJD-OLZOCXBDSA-N 1 1 262.353 3.258 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC[N@H+](C)C(C)C ZINC000531944886 270211119 /nfs/dbraw/zinc/21/11/19/270211119.db2.gz AMMFJKTZRGXJCD-AWEZNQCLSA-N 1 1 293.411 3.284 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533072172 270221318 /nfs/dbraw/zinc/22/13/18/270221318.db2.gz JKVLYJVMWFFVSU-GFCCVEGCSA-N 1 1 298.342 3.420 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000533072172 270221319 /nfs/dbraw/zinc/22/13/19/270221319.db2.gz JKVLYJVMWFFVSU-GFCCVEGCSA-N 1 1 298.342 3.420 20 5 CGBDMO CO[C@@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451548540 277293318 /nfs/dbraw/zinc/29/33/18/277293318.db2.gz RXFVISOBKYTHLW-TYNCELHUSA-N 1 1 278.352 3.013 20 5 CGBDMO CO[C@]1(C)CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000279205351 277358922 /nfs/dbraw/zinc/35/89/22/277358922.db2.gz BFFROLLILWVQLU-IUODEOHRSA-N 1 1 278.352 3.157 20 5 CGBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000020526154 278379449 /nfs/dbraw/zinc/37/94/49/278379449.db2.gz DQMAMLFSBSEYSU-VXGBXAGGSA-N 1 1 271.320 3.402 20 5 CGBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000399562050 288052549 /nfs/dbraw/zinc/05/25/49/288052549.db2.gz LWNDTSBUTZOTRE-JQWIXIFHSA-N 1 1 266.316 3.354 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@](C)(F)C1 ZINC000352768707 281020376 /nfs/dbraw/zinc/02/03/76/281020376.db2.gz IUUUAJNFMINHGX-RISCZKNCSA-N 1 1 266.316 3.398 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@](C)(F)C1 ZINC000352768707 281020378 /nfs/dbraw/zinc/02/03/78/281020378.db2.gz IUUUAJNFMINHGX-RISCZKNCSA-N 1 1 266.316 3.398 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451195945 281020383 /nfs/dbraw/zinc/02/03/83/281020383.db2.gz MNJPROMQMCFLFO-MNOVXSKESA-N 1 1 252.289 3.008 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451195945 281020385 /nfs/dbraw/zinc/02/03/85/281020385.db2.gz MNJPROMQMCFLFO-MNOVXSKESA-N 1 1 252.289 3.008 20 5 CGBDMO Cc1cccc2c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000429576105 281274847 /nfs/dbraw/zinc/27/48/47/281274847.db2.gz BIJXPWFHFAVYAA-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO COC(C)(C)C[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000532644668 288367764 /nfs/dbraw/zinc/36/77/64/288367764.db2.gz TWUSIPZCNYDVJT-NSHDSACASA-N 1 1 266.341 3.013 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1[C@@H](C)C[C@@H]1C ZINC000548753976 289021127 /nfs/dbraw/zinc/02/11/27/289021127.db2.gz BDRMWLWDKCQBAZ-RYUDHWBXSA-N 1 1 278.352 3.365 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CC1 ZINC000388733405 328084161 /nfs/dbraw/zinc/08/41/61/328084161.db2.gz IPFSDEANMFAEMN-UHFFFAOYSA-N 1 1 266.316 3.354 20 5 CGBDMO COc1ccc(C[N@H+]2CC(C)(C)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000565807754 322091979 /nfs/dbraw/zinc/09/19/79/322091979.db2.gz ZHFJFGDQZNVNHQ-OAHLLOKOSA-N 1 1 290.363 3.224 20 5 CGBDMO Cc1cnc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000572378176 322334671 /nfs/dbraw/zinc/33/46/71/322334671.db2.gz ZVMYYOZEZKNLEL-GFCCVEGCSA-N 1 1 289.360 3.137 20 5 CGBDMO CCCC[C@@H](C)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000573169490 322373766 /nfs/dbraw/zinc/37/37/66/322373766.db2.gz HEHVPYXLILACPJ-CYBMUJFWSA-N 1 1 280.368 3.484 20 5 CGBDMO Cc1ncncc1[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000583214394 329370188 /nfs/dbraw/zinc/37/01/88/329370188.db2.gz OAQXHEDBYHDPEY-RYUDHWBXSA-N 1 1 286.335 3.105 20 5 CGBDMO CO[C@]1(C)CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000279249749 521752050 /nfs/dbraw/zinc/75/20/50/521752050.db2.gz HAJUOXPINIGOKJ-SWLSCSKDSA-N 1 1 278.352 3.157 20 5 CGBDMO C[C@H](c1ccco1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000069066482 526146657 /nfs/dbraw/zinc/14/66/57/526146657.db2.gz KXWAUJPJTGPWHR-LLVKDONJSA-N 1 1 260.293 3.381 20 5 CGBDMO C[C@H](c1ccco1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000069066482 526146669 /nfs/dbraw/zinc/14/66/69/526146669.db2.gz KXWAUJPJTGPWHR-LLVKDONJSA-N 1 1 260.293 3.381 20 5 CGBDMO CCCC[N@@H+](CC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000441242909 528392760 /nfs/dbraw/zinc/39/27/60/528392760.db2.gz HDMWZUCYWSHKFC-UHFFFAOYSA-N 1 1 296.367 3.104 20 5 CGBDMO CCCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430218280 528394419 /nfs/dbraw/zinc/39/44/19/528394419.db2.gz MQFKUJBRVGJOJE-UHFFFAOYSA-N 1 1 266.341 3.225 20 5 CGBDMO CC(C)[N@H+]1CCCC[C@@H]1CSc1ccc([N+](=O)[O-])cn1 ZINC000412996146 529005283 /nfs/dbraw/zinc/00/52/83/529005283.db2.gz DQDJDCBELXBEHN-CYBMUJFWSA-N 1 1 295.408 3.345 20 5 CGBDMO CC(C)[N@@H+](C)C[C@@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000312738145 619134313 /nfs/dbraw/zinc/13/43/13/619134313.db2.gz ULJXWDSLZZEXAO-LLVKDONJSA-N 1 1 299.802 3.067 20 5 CGBDMO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccnc1 ZINC000093632666 619207273 /nfs/dbraw/zinc/20/72/73/619207273.db2.gz PUAUATPWRHMNGZ-SNVBAGLBSA-N 1 1 291.738 3.494 20 5 CGBDMO CC[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H](C)C(C)C ZINC000067366741 619674282 /nfs/dbraw/zinc/67/42/82/619674282.db2.gz BGTAGJCTPRJCLR-GFCCVEGCSA-N 1 1 290.367 3.268 20 5 CGBDMO CC(C)c1[nH+]ccn1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000895987819 619921597 /nfs/dbraw/zinc/92/15/97/619921597.db2.gz IOSHIOJORYCDKQ-UHFFFAOYSA-N 1 1 292.314 3.166 20 5 CGBDMO C[C@@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000903287322 621670367 /nfs/dbraw/zinc/67/03/67/621670367.db2.gz NWIGHZXOLFQJHK-MISXGVKJSA-N 1 1 286.335 3.148 20 5 CGBDMO C[C@@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000903287323 621670751 /nfs/dbraw/zinc/67/07/51/621670751.db2.gz NWIGHZXOLFQJHK-WDMOLILDSA-N 1 1 286.335 3.148 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000173812249 623342952 /nfs/dbraw/zinc/34/29/52/623342952.db2.gz IYTVHYPNUMZHBU-RISCZKNCSA-N 1 1 278.327 3.498 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000173812263 623343682 /nfs/dbraw/zinc/34/36/82/623343682.db2.gz IYTVHYPNUMZHBU-FZMZJTMJSA-N 1 1 278.327 3.498 20 5 CGBDMO Cc1csc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000069168462 624801931 /nfs/dbraw/zinc/80/19/31/624801931.db2.gz OFWTWYCTUPRIII-JTQLQIEISA-N 1 1 277.349 3.211 20 5 CGBDMO Cc1csc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000069168461 624802042 /nfs/dbraw/zinc/80/20/42/624802042.db2.gz OFWTWYCTUPRIII-SNVBAGLBSA-N 1 1 277.349 3.211 20 5 CGBDMO Cc1nn(C[N@H+](C)[C@@H](C)C(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000761288935 627030503 /nfs/dbraw/zinc/03/05/03/627030503.db2.gz ZEIUCWDQMKYRRO-LBPRGKRZSA-N 1 1 290.367 3.187 20 5 CGBDMO Cc1nn(C[N@H+](C)C2CCCC2)c2ccc([N+](=O)[O-])cc12 ZINC000764865715 627230651 /nfs/dbraw/zinc/23/06/51/627230651.db2.gz QSFJDHRBBOLUQG-UHFFFAOYSA-N 1 1 288.351 3.085 20 5 CGBDMO CCCC[C@H](C)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000810125025 627804129 /nfs/dbraw/zinc/80/41/29/627804129.db2.gz MLHUOUJJTCQBKN-WFASDCNBSA-N 1 1 280.368 3.139 20 5 CGBDMO CC(C)[C@H]1CC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000775762670 628134620 /nfs/dbraw/zinc/13/46/20/628134620.db2.gz CXACXQJDRXXEQU-GFCCVEGCSA-N 1 1 268.744 3.479 20 5 CGBDMO CC(C)[C@H]1CC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000775762670 628134623 /nfs/dbraw/zinc/13/46/23/628134623.db2.gz CXACXQJDRXXEQU-GFCCVEGCSA-N 1 1 268.744 3.479 20 5 CGBDMO CC[C@]1(C)CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776589703 628221720 /nfs/dbraw/zinc/22/17/20/628221720.db2.gz VMDPOHNCUUOFFG-HZPDHXFCSA-N 1 1 292.379 3.140 20 5 CGBDMO CC1=CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000797998442 630013193 /nfs/dbraw/zinc/01/31/93/630013193.db2.gz GPNPUHZOAUZIAA-UHFFFAOYSA-N 1 1 266.728 3.400 20 5 CGBDMO CC1=CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000797998442 630013195 /nfs/dbraw/zinc/01/31/95/630013195.db2.gz GPNPUHZOAUZIAA-UHFFFAOYSA-N 1 1 266.728 3.400 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](c3ccccn3)C2)cc1 ZINC000799193665 630156885 /nfs/dbraw/zinc/15/68/85/630156885.db2.gz MUXSHNOOSVORSL-OAHLLOKOSA-N 1 1 297.358 3.022 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC2(CCO2)CC1 ZINC000800481862 630285771 /nfs/dbraw/zinc/28/57/71/630285771.db2.gz IEAYQHVJAJBBAC-UHFFFAOYSA-N 1 1 296.754 3.003 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000808776659 630677423 /nfs/dbraw/zinc/67/74/23/630677423.db2.gz LRUWIYNJMVZLFV-LBPRGKRZSA-N 1 1 278.327 3.356 20 5 CGBDMO CCCC[C@@H](C)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000810125022 630840062 /nfs/dbraw/zinc/84/00/62/630840062.db2.gz MLHUOUJJTCQBKN-DOMZBBRYSA-N 1 1 280.368 3.139 20 5 CGBDMO CO[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000821391714 632763045 /nfs/dbraw/zinc/76/30/45/632763045.db2.gz PQGVPODLXPSETE-DGCLKSJQSA-N 1 1 298.770 3.248 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H]2C2CC2)c1 ZINC000824649094 633267767 /nfs/dbraw/zinc/26/77/67/633267767.db2.gz BDNDZPSENJDKCO-ZDUSSCGKSA-N 1 1 266.728 3.233 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H]2C2CC2)c1 ZINC000824649094 633267769 /nfs/dbraw/zinc/26/77/69/633267769.db2.gz BDNDZPSENJDKCO-ZDUSSCGKSA-N 1 1 266.728 3.233 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]2C2CC2)cc1Cl ZINC000824650388 633268666 /nfs/dbraw/zinc/26/86/66/633268666.db2.gz MWDHKOZEWYBAGV-LBPRGKRZSA-N 1 1 266.728 3.233 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]2C2CC2)cc1Cl ZINC000824650388 633268668 /nfs/dbraw/zinc/26/86/68/633268668.db2.gz MWDHKOZEWYBAGV-LBPRGKRZSA-N 1 1 266.728 3.233 20 5 CGBDMO CO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000824815085 633295353 /nfs/dbraw/zinc/29/53/53/633295353.db2.gz IHYTZWQGSKLJKX-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000824815085 633295358 /nfs/dbraw/zinc/29/53/58/633295358.db2.gz IHYTZWQGSKLJKX-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC1=CCCOC1 ZINC000827190531 633469273 /nfs/dbraw/zinc/46/92/73/633469273.db2.gz WIUCULJRZUBSGF-UHFFFAOYSA-N 1 1 296.754 3.027 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000842168016 635302534 /nfs/dbraw/zinc/30/25/34/635302534.db2.gz ZKSXMGYBZAHIRA-VWYCJHECSA-N 1 1 266.316 3.210 20 5 CGBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[NH+]3CCCCC3)c2c1 ZINC000007314496 636981828 /nfs/dbraw/zinc/98/18/28/636981828.db2.gz WXBLFHYQPNZOSF-UHFFFAOYSA-N 1 1 293.348 3.315 20 5 CGBDMO Cc1ccccc1[C@@H](C)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885962567 637333773 /nfs/dbraw/zinc/33/37/73/637333773.db2.gz BPOXOAWSWYZQLI-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1ccccc1[C@@H](C)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885962567 637333782 /nfs/dbraw/zinc/33/37/82/637333782.db2.gz BPOXOAWSWYZQLI-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO CC(C)[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886015033 637364877 /nfs/dbraw/zinc/36/48/77/637364877.db2.gz UUYNEBFTEZMXOD-ZDUSSCGKSA-N 1 1 263.341 3.000 20 5 CGBDMO CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886285189 637484521 /nfs/dbraw/zinc/48/45/21/637484521.db2.gz ASZFTLGMGCZZCL-WCQYABFASA-N 1 1 263.341 3.143 20 5 CGBDMO CC(C)=CCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000851869536 637526876 /nfs/dbraw/zinc/52/68/76/637526876.db2.gz KFEJINOZECBIIK-UHFFFAOYSA-N 1 1 260.337 3.309 20 5 CGBDMO C[C@H]([NH2+][C@@H]1CCc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000886561719 637583579 /nfs/dbraw/zinc/58/35/79/637583579.db2.gz HFNWTNFJOQTEDQ-SMDDNHRTSA-N 1 1 283.331 3.328 20 5 CGBDMO C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000852095694 637591005 /nfs/dbraw/zinc/59/10/05/637591005.db2.gz DAFQBJKXZBBMII-JTQLQIEISA-N 1 1 287.319 3.311 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000859535735 639158234 /nfs/dbraw/zinc/15/82/34/639158234.db2.gz YVLJYCDREQRZCK-UHFFFAOYSA-N 1 1 288.269 3.355 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCC(F)(F)CC1 ZINC000859535735 639158237 /nfs/dbraw/zinc/15/82/37/639158237.db2.gz YVLJYCDREQRZCK-UHFFFAOYSA-N 1 1 288.269 3.355 20 5 CGBDMO CC(C)(C)OC[C@@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000932170796 639285015 /nfs/dbraw/zinc/28/50/15/639285015.db2.gz BONOPFAYWWSRHA-LBPRGKRZSA-N 1 1 298.408 3.436 20 5 CGBDMO CC(C)(C)OC[C@@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000932170796 639285019 /nfs/dbraw/zinc/28/50/19/639285019.db2.gz BONOPFAYWWSRHA-LBPRGKRZSA-N 1 1 298.408 3.436 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774919 640802004 /nfs/dbraw/zinc/80/20/04/640802004.db2.gz UZHFGMZDWGVVFO-MNOVXSKESA-N 1 1 266.316 3.354 20 5 CGBDMO CC[N@@H+](Cc1ccncc1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254551094 806447898 /nfs/dbraw/zinc/44/78/98/806447898.db2.gz XSTOHFOBJDFFPL-CQSZACIVSA-N 1 1 299.374 3.443 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC12CC2 ZINC001254550759 806448436 /nfs/dbraw/zinc/44/84/36/806448436.db2.gz QKVLCMVJOHGHQN-LBPRGKRZSA-N 1 1 260.337 3.154 20 5 CGBDMO CCO[C@@H]1CCC[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254558551 806449064 /nfs/dbraw/zinc/44/90/64/806449064.db2.gz CKMNGXPMDJEFNW-UKRRQHHQSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC2(CCC2)C1 ZINC001254559512 806449737 /nfs/dbraw/zinc/44/97/37/806449737.db2.gz KMPJYTJDOWYJFW-ZDUSSCGKSA-N 1 1 274.364 3.402 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001254559573 806449966 /nfs/dbraw/zinc/44/99/66/806449966.db2.gz LAMYMXXHGIXUHI-SGMGOOAPSA-N 1 1 260.337 3.010 20 5 CGBDMO CCO[C@H]1CCC[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254558550 806449994 /nfs/dbraw/zinc/44/99/94/806449994.db2.gz CKMNGXPMDJEFNW-HIFRSBDPSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CC1CCC1 ZINC001254562850 806451711 /nfs/dbraw/zinc/45/17/11/806451711.db2.gz PRVGYKNRSFXWRC-LBPRGKRZSA-N 1 1 262.353 3.258 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCCCC13CC3)C2 ZINC001254602589 806458714 /nfs/dbraw/zinc/45/87/14/806458714.db2.gz GUEQMNGDORXROG-OAHLLOKOSA-N 1 1 272.348 3.081 20 5 CGBDMO CC[C@@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254602774 806459034 /nfs/dbraw/zinc/45/90/34/806459034.db2.gz ISXPTUYIZSPJOG-MLGOLLRUSA-N 1 1 274.364 3.184 20 5 CGBDMO CC(C)[C@H]1CCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254609840 806461178 /nfs/dbraw/zinc/46/11/78/806461178.db2.gz ZCHBZXKZTSDQDT-HZPDHXFCSA-N 1 1 274.364 3.182 20 5 CGBDMO C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000036964877 798852548 /nfs/dbraw/zinc/85/25/48/798852548.db2.gz AJISXXDWHVDTBO-SNVBAGLBSA-N 1 1 268.744 3.480 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000036964877 798852554 /nfs/dbraw/zinc/85/25/54/798852554.db2.gz AJISXXDWHVDTBO-SNVBAGLBSA-N 1 1 268.744 3.480 20 5 CGBDMO CC[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000712550184 800092896 /nfs/dbraw/zinc/09/28/96/800092896.db2.gz SVLLXQHZWQWRES-JTQLQIEISA-N 1 1 285.294 3.039 20 5 CGBDMO CCc1[nH+]c(C)cn1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000715151839 800133045 /nfs/dbraw/zinc/13/30/45/800133045.db2.gz YSOJKZYYGQRCJB-UHFFFAOYSA-N 1 1 279.727 3.364 20 5 CGBDMO C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccns1 ZINC000715978766 800156996 /nfs/dbraw/zinc/15/69/96/800156996.db2.gz PCNXXZRLYFXBFF-QMMMGPOBSA-N 1 1 281.312 3.041 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001168309382 807379286 /nfs/dbraw/zinc/37/92/86/807379286.db2.gz LSIYEZVWSOUMAN-ADEWGFFLSA-N 1 1 282.290 3.243 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCC3(C2)CCCCC3)C1 ZINC001169050633 807560250 /nfs/dbraw/zinc/56/02/50/807560250.db2.gz CBXIBNDHAJOVBP-KBPBESRZSA-N 1 1 266.385 3.088 20 5 CGBDMO C[C@@H]1C[C@H](F)C[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904780 808476205 /nfs/dbraw/zinc/47/62/05/808476205.db2.gz AMEJTSCBLCMJOX-UGFHNGPFSA-N 1 1 292.354 3.275 20 5 CGBDMO CC[N@@H+](C1CC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909213 808476579 /nfs/dbraw/zinc/47/65/79/808476579.db2.gz QVIUNOUNQURAAQ-CQSZACIVSA-N 1 1 274.364 3.327 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@](C)(F)C1 ZINC001173220642 808539673 /nfs/dbraw/zinc/53/96/73/808539673.db2.gz BOTKHCGLXSNOIM-DOMZBBRYSA-N 1 1 280.343 3.350 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cscn1 ZINC001173231375 808543590 /nfs/dbraw/zinc/54/35/90/808543590.db2.gz BWCOGIZVIBQVQZ-LLVKDONJSA-N 1 1 291.376 3.114 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cscn1 ZINC001173231375 808543597 /nfs/dbraw/zinc/54/35/97/808543597.db2.gz BWCOGIZVIBQVQZ-LLVKDONJSA-N 1 1 291.376 3.114 20 5 CGBDMO Cc1[nH+]c2ccccn2c1Nc1cc([N+](=O)[O-])ccc1F ZINC001175735750 809524042 /nfs/dbraw/zinc/52/40/42/809524042.db2.gz JRAWFSIFAABDOJ-UHFFFAOYSA-N 1 1 286.266 3.434 20 5 CGBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@]12CCC[C@H]1OCC2 ZINC001176990216 809773923 /nfs/dbraw/zinc/77/39/23/809773923.db2.gz FJTFOZSBOKXTIG-TZMCWYRMSA-N 1 1 296.392 3.047 20 5 CGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1cc(C)sc1[N+](=O)[O-] ZINC001186632818 810353538 /nfs/dbraw/zinc/35/35/38/810353538.db2.gz IFLFZNICLSZHPT-JTQLQIEISA-N 1 1 285.413 3.497 20 5 CGBDMO Cc1ccc(Nc2ccc3[nH+]ccn3c2)c([N+](=O)[O-])c1 ZINC001187117322 810386473 /nfs/dbraw/zinc/38/64/73/810386473.db2.gz YVERQBPYHYXRKB-UHFFFAOYSA-N 1 1 268.276 3.295 20 5 CGBDMO C[C@H]1CC(C)(C)C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001195196387 811223972 /nfs/dbraw/zinc/22/39/72/811223972.db2.gz SBDANWWEMBVUBD-VIFPVBQESA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001195196387 811223974 /nfs/dbraw/zinc/22/39/74/811223974.db2.gz SBDANWWEMBVUBD-VIFPVBQESA-N 1 1 284.306 3.493 20 5 CGBDMO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H](CC)O1 ZINC001195298702 811239721 /nfs/dbraw/zinc/23/97/21/811239721.db2.gz HHXDDMGXMHQQPH-GASCZTMLSA-N 1 1 292.379 3.293 20 5 CGBDMO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H](CC)O1 ZINC001195298702 811239726 /nfs/dbraw/zinc/23/97/26/811239726.db2.gz HHXDDMGXMHQQPH-GASCZTMLSA-N 1 1 292.379 3.293 20 5 CGBDMO O=[N+]([O-])c1cccc(Nc2cc[nH+]cc2C(F)(F)F)c1 ZINC001204407321 812631228 /nfs/dbraw/zinc/63/12/28/812631228.db2.gz NZKIAXCRQKJUKZ-UHFFFAOYSA-N 1 1 283.209 3.174 20 5 CGBDMO CC(C)[N@H+]1CCC[C@H](Oc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001225788836 817179402 /nfs/dbraw/zinc/17/94/02/817179402.db2.gz PHOONIQUFNRHIH-NSHDSACASA-N 1 1 298.770 3.500 20 5 CGBDMO C[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001226510106 817378742 /nfs/dbraw/zinc/37/87/42/817378742.db2.gz YHKFGPCXTATDDB-GFCCVEGCSA-N 1 1 286.331 3.221 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001226971517 817521361 /nfs/dbraw/zinc/52/13/61/817521361.db2.gz PELOOZLEDDREMN-CYBMUJFWSA-N 1 1 278.352 3.155 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001226987627 817525827 /nfs/dbraw/zinc/52/58/27/817525827.db2.gz AHTQHPLZOZRAIK-GFCCVEGCSA-N 1 1 296.754 3.030 20 5 CGBDMO CC[NH+]1CC(Oc2cccc3cc4ccccc4nc32)C1 ZINC001228174319 817831414 /nfs/dbraw/zinc/83/14/14/817831414.db2.gz RBUYUARTWQLBDJ-UHFFFAOYSA-N 1 1 278.355 3.471 20 5 CGBDMO C[C@@H](Oc1ccc2[nH+]ccn2c1)c1cccc([N+](=O)[O-])c1 ZINC001233755755 818699512 /nfs/dbraw/zinc/69/95/12/818699512.db2.gz UBQBUCPWWUPVIQ-LLVKDONJSA-N 1 1 283.287 3.383 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000217390992 928155875 /nfs/dbraw/zinc/15/58/75/928155875.db2.gz KWRFKZBMEZZERT-LLVKDONJSA-N 1 1 299.802 3.068 20 5 CGBDMO Cc1cc(NCC[N@@H+]2CCC[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC001306931462 932897757 /nfs/dbraw/zinc/89/77/57/932897757.db2.gz XDTDXSQKFCKLMO-NSHDSACASA-N 1 1 295.358 3.186 20 5 CGBDMO CC1(C)CC[N@@H+](CCNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001307229910 932932638 /nfs/dbraw/zinc/93/26/38/932932638.db2.gz NUMHKUCUBFUKGA-UHFFFAOYSA-N 1 1 297.786 3.392 20 5 CGBDMO C[C@@H](Cc1cccs1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC001307518817 932964517 /nfs/dbraw/zinc/96/45/17/932964517.db2.gz ILRIZLMUCCDFIT-NSHDSACASA-N 1 1 291.376 3.114 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@]1(C)CCCCO1 ZINC001308711755 933163185 /nfs/dbraw/zinc/16/31/85/933163185.db2.gz HALHHWZISKYCRQ-INIZCTEOSA-N 1 1 292.379 3.028 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001324061842 934454411 /nfs/dbraw/zinc/45/44/11/934454411.db2.gz UBLNIBWZSKKANJ-XJKCOSOUSA-N 1 1 290.363 3.157 20 5 CGBDMO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C ZINC001330620581 935304262 /nfs/dbraw/zinc/30/42/62/935304262.db2.gz FJPQLVFCKQYGEM-UHFFFAOYSA-N 1 1 277.324 3.356 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000591062039 346897122 /nfs/dbraw/zinc/89/71/22/346897122.db2.gz SHBDWEDTZWJZID-AWEZNQCLSA-N 1 1 260.337 3.217 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000592186235 346970446 /nfs/dbraw/zinc/97/04/46/346970446.db2.gz BEHWCDGFYQAGIP-CYBMUJFWSA-N 1 1 290.363 3.128 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000592186235 346970449 /nfs/dbraw/zinc/97/04/49/346970449.db2.gz BEHWCDGFYQAGIP-CYBMUJFWSA-N 1 1 290.363 3.128 20 5 CGBDMO CC(C)[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000063619195 345250548 /nfs/dbraw/zinc/25/05/48/345250548.db2.gz QOMDXLJJEHOMAL-ZDUSSCGKSA-N 1 1 278.352 3.094 20 5 CGBDMO CC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCS1 ZINC000076073457 345532257 /nfs/dbraw/zinc/53/22/57/345532257.db2.gz PNLKKLVQLZINTM-NWDGAFQWSA-N 1 1 280.393 3.483 20 5 CGBDMO CC(C)[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000091475967 345815517 /nfs/dbraw/zinc/81/55/17/345815517.db2.gz XPFQJMJSHYTZFO-ZDUSSCGKSA-N 1 1 277.368 3.127 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC2(CC2(F)F)C1 ZINC000594609486 347202682 /nfs/dbraw/zinc/20/26/82/347202682.db2.gz YQQXCBHBYWRMME-WZUFQYTHSA-N 1 1 294.301 3.339 20 5 CGBDMO Cc1noc(C[N@@H+]2CCCC[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC000595384858 347297519 /nfs/dbraw/zinc/29/75/19/347297519.db2.gz QSTHIOZWJLEYHW-GFCCVEGCSA-N 1 1 281.356 3.292 20 5 CGBDMO CCC[N@@H+]1CC[C@@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000595096896 347282587 /nfs/dbraw/zinc/28/25/87/347282587.db2.gz NSMPVXNAFZXTSH-UONOGXRCSA-N 1 1 291.395 3.038 20 5 CGBDMO CCC[N@H+]1CC[C@@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000595096896 347282590 /nfs/dbraw/zinc/28/25/90/347282590.db2.gz NSMPVXNAFZXTSH-UONOGXRCSA-N 1 1 291.395 3.038 20 5 CGBDMO Cc1c(C[N@H+]2CCC[C@@H](CCF)C2)cccc1[N+](=O)[O-] ZINC000595755717 347351438 /nfs/dbraw/zinc/35/14/38/347351438.db2.gz OUOBMLBVEMZZIV-ZDUSSCGKSA-N 1 1 280.343 3.475 20 5 CGBDMO CCCCC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595871559 347368814 /nfs/dbraw/zinc/36/88/14/347368814.db2.gz OZLPAHLBZCGNIK-CQSZACIVSA-N 1 1 294.399 3.226 20 5 CGBDMO CC(C)c1ccc(C[N@@H+](C)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000597254753 347563173 /nfs/dbraw/zinc/56/31/73/347563173.db2.gz LCMQXLHKYUUNAS-UHFFFAOYSA-N 1 1 292.379 3.065 20 5 CGBDMO C[C@@H]1CC(F)(F)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000599623340 347758859 /nfs/dbraw/zinc/75/88/59/347758859.db2.gz OLXXUPTTWHWWOR-LLVKDONJSA-N 1 1 284.306 3.257 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599646553 347761342 /nfs/dbraw/zinc/76/13/42/347761342.db2.gz LHWNEIRYVDQTKT-LBPRGKRZSA-N 1 1 298.342 3.420 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599646553 347761344 /nfs/dbraw/zinc/76/13/44/347761344.db2.gz LHWNEIRYVDQTKT-LBPRGKRZSA-N 1 1 298.342 3.420 20 5 CGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[C@@H]4C3)o2)cc1 ZINC000600191663 347791572 /nfs/dbraw/zinc/79/15/72/347791572.db2.gz MBYYQOAAKKCQNJ-BETUJISGSA-N 1 1 284.315 3.307 20 5 CGBDMO CC[NH+](CC)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602428680 347956324 /nfs/dbraw/zinc/95/63/24/347956324.db2.gz QQBUMBBEOZREPD-UHFFFAOYSA-N 1 1 293.186 3.261 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000609133640 348337015 /nfs/dbraw/zinc/33/70/15/348337015.db2.gz OMNDXKGZFGIAEJ-OAHLLOKOSA-N 1 1 260.337 3.012 20 5 CGBDMO Cc1cn(Cc2cc([N+](=O)[O-])ccc2OC(C)C)c(C)[nH+]1 ZINC000610889753 348407915 /nfs/dbraw/zinc/40/79/15/348407915.db2.gz UWDOPWOKJUTGKJ-UHFFFAOYSA-N 1 1 289.335 3.244 20 5 CGBDMO Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000611521505 348458860 /nfs/dbraw/zinc/45/88/60/348458860.db2.gz NABOLEAVSJSFTM-NXEZZACHSA-N 1 1 274.324 3.038 20 5 CGBDMO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352024311 219292895 /nfs/dbraw/zinc/29/28/95/219292895.db2.gz FPPIMRAYPMDRHW-VHSXEESVSA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352024311 219292898 /nfs/dbraw/zinc/29/28/98/219292898.db2.gz FPPIMRAYPMDRHW-VHSXEESVSA-N 1 1 284.306 3.493 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CC1CC1)C(C)C ZINC000619531662 349257109 /nfs/dbraw/zinc/25/71/09/349257109.db2.gz HYZBZCPPMXNQAP-UHFFFAOYSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@@H](c1ccncc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000619785561 349285504 /nfs/dbraw/zinc/28/55/04/349285504.db2.gz NIZWZERPYAFEFJ-ZDUSSCGKSA-N 1 1 285.347 3.225 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000107829617 138358924 /nfs/dbraw/zinc/35/89/24/138358924.db2.gz BRSYKBPJMGZITI-VXGBXAGGSA-N 1 1 295.770 3.287 20 5 CGBDMO C[C@@H](c1cccnc1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000125605207 138383279 /nfs/dbraw/zinc/38/32/79/138383279.db2.gz YHLKONKJQHRLDG-LBPRGKRZSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000125605207 138383280 /nfs/dbraw/zinc/38/32/80/138383280.db2.gz YHLKONKJQHRLDG-LBPRGKRZSA-N 1 1 271.320 3.183 20 5 CGBDMO CSCC[C@@H](C)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000126575846 138386277 /nfs/dbraw/zinc/38/62/77/138386277.db2.gz FBJJFIAYKPKAQW-SECBINFHSA-N 1 1 274.411 3.230 20 5 CGBDMO COCC(C)(C)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426082289 236280747 /nfs/dbraw/zinc/28/07/47/236280747.db2.gz XICGZYJDUAYHMR-UHFFFAOYSA-N 1 1 292.379 3.232 20 5 CGBDMO COc1cc(C[N@@H+]2[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000184235323 189380977 /nfs/dbraw/zinc/38/09/77/189380977.db2.gz PBJNEBMNCUFUJU-AOOOYVTPSA-N 1 1 282.315 3.115 20 5 CGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](F)C2)o1 ZINC000449388085 239375039 /nfs/dbraw/zinc/37/50/39/239375039.db2.gz NWLDUZTZTIRCSE-LLVKDONJSA-N 1 1 290.294 3.399 20 5 CGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](F)C2)o1 ZINC000449388085 239375043 /nfs/dbraw/zinc/37/50/43/239375043.db2.gz NWLDUZTZTIRCSE-LLVKDONJSA-N 1 1 290.294 3.399 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(CF)CC1 ZINC000451389933 240291376 /nfs/dbraw/zinc/29/13/76/240291376.db2.gz XNOZSKNLYWVSAB-UHFFFAOYSA-N 1 1 286.734 3.430 20 5 CGBDMO C[C@H](C[NH+]1CCCCC1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037153279 369069907 /nfs/dbraw/zinc/06/99/07/369069907.db2.gz JUEGLXRTROWGGY-KGLIPLIRSA-N 1 1 291.395 3.120 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2cccc(F)c2)cs1 ZINC000037562680 369088964 /nfs/dbraw/zinc/08/89/64/369088964.db2.gz CPCMRCUXDBUIGG-UHFFFAOYSA-N 1 1 266.297 3.085 20 5 CGBDMO Cc1cccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000051573690 369449213 /nfs/dbraw/zinc/44/92/13/369449213.db2.gz JYCCAICLSORABH-LBPRGKRZSA-N 1 1 271.320 3.149 20 5 CGBDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000057622599 369543840 /nfs/dbraw/zinc/54/38/40/369543840.db2.gz GQCPOUXXSHIJHG-INIZCTEOSA-N 1 1 285.347 3.270 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000068828868 369748493 /nfs/dbraw/zinc/74/84/93/369748493.db2.gz DCEKBTYOKZOZII-SNVBAGLBSA-N 1 1 254.355 3.278 20 5 CGBDMO Cc1c(Cn2cc[nH+]c2C(C)C)cccc1[N+](=O)[O-] ZINC000070423084 369800227 /nfs/dbraw/zinc/80/02/27/369800227.db2.gz ZYZUPUJJTJGDDU-UHFFFAOYSA-N 1 1 259.309 3.271 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000344025218 217016003 /nfs/dbraw/zinc/01/60/03/217016003.db2.gz ILFXGJKWNNUUNN-CYBMUJFWSA-N 1 1 290.363 3.225 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCOC2CCC2)C2CC2)c1 ZINC000287634453 371687415 /nfs/dbraw/zinc/68/74/15/371687415.db2.gz FWJIVQABUYLKMG-UHFFFAOYSA-N 1 1 290.363 3.128 20 5 CGBDMO CC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429281519 372335390 /nfs/dbraw/zinc/33/53/90/372335390.db2.gz COPFVVMMJXCRER-LLVKDONJSA-N 1 1 254.717 3.233 20 5 CGBDMO CC[C@@H]1CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429281519 372335395 /nfs/dbraw/zinc/33/53/95/372335395.db2.gz COPFVVMMJXCRER-LLVKDONJSA-N 1 1 254.717 3.233 20 5 CGBDMO CC(C)[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000432151812 372542268 /nfs/dbraw/zinc/54/22/68/372542268.db2.gz HTBRHDWRJRQTAV-ZDUSSCGKSA-N 1 1 297.786 3.025 20 5 CGBDMO CC(C)[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000432151812 372542275 /nfs/dbraw/zinc/54/22/75/372542275.db2.gz HTBRHDWRJRQTAV-ZDUSSCGKSA-N 1 1 297.786 3.025 20 5 CGBDMO C[C@@H](O)C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000353457038 220092450 /nfs/dbraw/zinc/09/24/50/220092450.db2.gz YHCZUKBHESAPET-LLVKDONJSA-N 1 1 298.408 3.172 20 5 CGBDMO CC(C)n1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000296794437 373246405 /nfs/dbraw/zinc/24/64/05/373246405.db2.gz SYZPRDIIUUAWRC-LBPRGKRZSA-N 1 1 288.351 3.223 20 5 CGBDMO CCC[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000301091346 373656216 /nfs/dbraw/zinc/65/62/16/373656216.db2.gz LJCAJBZTYKHZMT-NSHDSACASA-N 1 1 297.786 3.392 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000449505086 373805398 /nfs/dbraw/zinc/80/53/98/373805398.db2.gz QWFWNDYDAYGCQW-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO Cc1cccc(NCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000302509537 373884015 /nfs/dbraw/zinc/88/40/15/373884015.db2.gz RZZLOIMJNASDBI-LBPRGKRZSA-N 1 1 277.368 3.047 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC000449732811 373858346 /nfs/dbraw/zinc/85/83/46/373858346.db2.gz MUALCIJQNMWEMS-HNNXBMFYSA-N 1 1 292.404 3.314 20 5 CGBDMO CC[C@H](CSC)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000180691159 374036761 /nfs/dbraw/zinc/03/67/61/374036761.db2.gz YPSNEFLRLSGEMX-GFCCVEGCSA-N 1 1 298.408 3.177 20 5 CGBDMO C[C@H](C1CCC1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000325686087 374359367 /nfs/dbraw/zinc/35/93/67/374359367.db2.gz MNBKPAVHWGYOFE-SNVBAGLBSA-N 1 1 266.316 3.354 20 5 CGBDMO COc1cc(C[N@@H+](CC(C)C)C2CC2)c([N+](=O)[O-])cc1F ZINC000184243130 374508242 /nfs/dbraw/zinc/50/82/42/374508242.db2.gz IJJOTCYQNZUZDI-UHFFFAOYSA-N 1 1 296.342 3.363 20 5 CGBDMO CO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000331267991 374518113 /nfs/dbraw/zinc/51/81/13/374518113.db2.gz KDMDNYNFYKLGKZ-GXFFZTMASA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000331267991 374518119 /nfs/dbraw/zinc/51/81/19/374518119.db2.gz KDMDNYNFYKLGKZ-GXFFZTMASA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000331267995 374518612 /nfs/dbraw/zinc/51/86/12/374518612.db2.gz KDMDNYNFYKLGKZ-ZWNOBZJWSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000331267995 374518616 /nfs/dbraw/zinc/51/86/16/374518616.db2.gz KDMDNYNFYKLGKZ-ZWNOBZJWSA-N 1 1 298.770 3.248 20 5 CGBDMO CC[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332218463 374560958 /nfs/dbraw/zinc/56/09/58/374560958.db2.gz IKPYWSRBPJTDBF-NSHDSACASA-N 1 1 288.351 3.093 20 5 CGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1C ZINC000487990746 375292518 /nfs/dbraw/zinc/29/25/18/375292518.db2.gz RVNWHEACMXEXHL-XJKSGUPXSA-N 1 1 292.379 3.232 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCSC[C@H](C)C1 ZINC000190428161 375508838 /nfs/dbraw/zinc/50/88/38/375508838.db2.gz YSFDPPYNTUSLCP-NEPJUHHUSA-N 1 1 280.393 3.341 20 5 CGBDMO Cc1ccoc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000336817191 375972338 /nfs/dbraw/zinc/97/23/38/375972338.db2.gz PCRZFZMIGWIGOS-UHFFFAOYSA-N 1 1 260.293 3.094 20 5 CGBDMO C[N@H+](Cc1ccc2[nH]cnc2c1)Cc1ccccc1[N+](=O)[O-] ZINC000534337063 375978231 /nfs/dbraw/zinc/97/82/31/375978231.db2.gz RLOAYIGKHDQQBG-UHFFFAOYSA-N 1 1 296.330 3.103 20 5 CGBDMO C[N@@H+](Cc1ccc2[nH]cnc2c1)Cc1ccccc1[N+](=O)[O-] ZINC000534337063 375978237 /nfs/dbraw/zinc/97/82/37/375978237.db2.gz RLOAYIGKHDQQBG-UHFFFAOYSA-N 1 1 296.330 3.103 20 5 CGBDMO C[N@H+](Cc1ccc2nc[nH]c2c1)Cc1ccccc1[N+](=O)[O-] ZINC000534337063 375978238 /nfs/dbraw/zinc/97/82/38/375978238.db2.gz RLOAYIGKHDQQBG-UHFFFAOYSA-N 1 1 296.330 3.103 20 5 CGBDMO C[N@@H+](Cc1ccc2nc[nH]c2c1)Cc1ccccc1[N+](=O)[O-] ZINC000534337063 375978242 /nfs/dbraw/zinc/97/82/42/375978242.db2.gz RLOAYIGKHDQQBG-UHFFFAOYSA-N 1 1 296.330 3.103 20 5 CGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000540056574 376356083 /nfs/dbraw/zinc/35/60/83/376356083.db2.gz SZJXOVYFJRTQLM-OLZOCXBDSA-N 1 1 278.352 3.237 20 5 CGBDMO CC1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCS1 ZINC000231043204 376553575 /nfs/dbraw/zinc/55/35/75/376553575.db2.gz FXRMXZHIBPFJOX-UHFFFAOYSA-N 1 1 298.383 3.451 20 5 CGBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000543860168 376684710 /nfs/dbraw/zinc/68/47/10/376684710.db2.gz RNXAFRJKJPDFMF-NXEZZACHSA-N 1 1 268.744 3.479 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H]1CF ZINC000556950072 376911478 /nfs/dbraw/zinc/91/14/78/376911478.db2.gz LRKKNGDXIBMVNN-PINLSGDHSA-N 1 1 278.327 3.432 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000247702722 377235160 /nfs/dbraw/zinc/23/51/60/377235160.db2.gz YFBODCKEOBNTQX-TZMCWYRMSA-N 1 1 260.337 3.359 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c(F)c1 ZINC000313286407 249090855 /nfs/dbraw/zinc/09/08/55/249090855.db2.gz DWYZCDRRUBZHNA-TXEJJXNPSA-N 1 1 278.327 3.356 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426219049 249130207 /nfs/dbraw/zinc/13/02/07/249130207.db2.gz VLPIDEREAVDBKO-APHBMKBZSA-N 1 1 292.379 3.200 20 5 CGBDMO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266881289 378027440 /nfs/dbraw/zinc/02/74/40/378027440.db2.gz PMFCXNXMWXMTGH-MNOVXSKESA-N 1 1 288.351 3.049 20 5 CGBDMO Cc1ncc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000579093533 378130156 /nfs/dbraw/zinc/13/01/56/378130156.db2.gz LYUONFYUGMVRFW-SNVBAGLBSA-N 1 1 275.308 3.050 20 5 CGBDMO Cc1ccncc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269578148 378238732 /nfs/dbraw/zinc/23/87/32/378238732.db2.gz DGBRJEIOVAPCBU-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1ccncc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269578148 378238738 /nfs/dbraw/zinc/23/87/38/378238738.db2.gz DGBRJEIOVAPCBU-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1[nH+]ccn1CCCSCc1ccc([N+](=O)[O-])cc1 ZINC000270060336 378301271 /nfs/dbraw/zinc/30/12/71/378301271.db2.gz WZEYXXQTSIRSTG-UHFFFAOYSA-N 1 1 291.376 3.423 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278672088 194094423 /nfs/dbraw/zinc/09/44/23/194094423.db2.gz IISQRBSCVJNFCU-LLVKDONJSA-N 1 1 288.269 3.369 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278214604 379319442 /nfs/dbraw/zinc/31/94/42/379319442.db2.gz KOBUDDYWZLMTAL-JTQLQIEISA-N 1 1 281.312 3.123 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000347585382 218281560 /nfs/dbraw/zinc/28/15/60/218281560.db2.gz UEWKONNRLGMQGT-RYUDHWBXSA-N 1 1 278.352 3.081 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCCCO1 ZINC000266680354 190274786 /nfs/dbraw/zinc/27/47/86/190274786.db2.gz AFTUPMIWWCEGOM-STQMWFEESA-N 1 1 278.352 3.157 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC=C(c3ccco3)C2)c1 ZINC000352549629 379854161 /nfs/dbraw/zinc/85/41/61/379854161.db2.gz DXPKBVVBIZQDDT-UHFFFAOYSA-N 1 1 284.315 3.477 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+]Cc2ccns2)cc1[N+](=O)[O-] ZINC000404278109 379980956 /nfs/dbraw/zinc/98/09/56/379980956.db2.gz MJQYTWLYVUUUMJ-JTQLQIEISA-N 1 1 277.349 3.211 20 5 CGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+]([C@@H]1C=CCCCCC1)CC2 ZINC000407994023 379988167 /nfs/dbraw/zinc/98/81/67/379988167.db2.gz YNQLFKFEQQKWME-CQSZACIVSA-N 1 1 287.363 3.237 20 5 CGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+]([C@@H]1C=CCCCCC1)CC2 ZINC000407994023 379988174 /nfs/dbraw/zinc/98/81/74/379988174.db2.gz YNQLFKFEQQKWME-CQSZACIVSA-N 1 1 287.363 3.237 20 5 CGBDMO CCC(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284104619 380125928 /nfs/dbraw/zinc/12/59/28/380125928.db2.gz MSDDYCBJWRJUJU-UHFFFAOYSA-N 1 1 281.312 3.123 20 5 CGBDMO C[C@@H]1CCSCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000286196989 380174358 /nfs/dbraw/zinc/17/43/58/380174358.db2.gz PVSTZJXSMRDIJE-SNVBAGLBSA-N 1 1 284.356 3.061 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H]1CF ZINC000354519225 380467479 /nfs/dbraw/zinc/46/74/79/380467479.db2.gz DPVZUVIVWOPDOT-RJNRQISESA-N 1 1 264.300 3.042 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H]1CF ZINC000354519225 380467487 /nfs/dbraw/zinc/46/74/87/380467487.db2.gz DPVZUVIVWOPDOT-RJNRQISESA-N 1 1 264.300 3.042 20 5 CGBDMO C[C@]1(F)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000355352356 380654128 /nfs/dbraw/zinc/65/41/28/380654128.db2.gz HJJNYIOIQKANOL-SDQPKGBYSA-N 1 1 264.300 3.042 20 5 CGBDMO C[C@]1(F)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000355352356 380654130 /nfs/dbraw/zinc/65/41/30/380654130.db2.gz HJJNYIOIQKANOL-SDQPKGBYSA-N 1 1 264.300 3.042 20 5 CGBDMO COCCCC[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000418142807 380713558 /nfs/dbraw/zinc/71/35/58/380713558.db2.gz HWSILWYYXJYWSK-SDNWHVSQSA-N 1 1 292.379 3.357 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)C1CCC1 ZINC000357045135 381009469 /nfs/dbraw/zinc/00/94/69/381009469.db2.gz UBWWBGAHDRYDGX-NSHDSACASA-N 1 1 278.352 3.224 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000441435692 285110440 /nfs/dbraw/zinc/11/04/40/285110440.db2.gz FILQDNJPZQTCEC-GOEBONIOSA-N 1 1 274.364 3.402 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC000350285760 219004675 /nfs/dbraw/zinc/00/46/75/219004675.db2.gz JEGLUJMZCUMSQK-JTQLQIEISA-N 1 1 266.316 3.354 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCC(F)(F)C1)CC2 ZINC000450488630 285142175 /nfs/dbraw/zinc/14/21/75/285142175.db2.gz VSQQLHWDPFKTNQ-LLVKDONJSA-N 1 1 296.317 3.388 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000068836797 392168959 /nfs/dbraw/zinc/16/89/59/392168959.db2.gz RKBIOCKRQXNGTH-INIZCTEOSA-N 1 1 297.358 3.281 20 5 CGBDMO Cc1ccc2c(c1)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000361724091 392304037 /nfs/dbraw/zinc/30/40/37/392304037.db2.gz APGQZXFFYWCPRM-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO Cc1ccc2c(c1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000361724091 392304045 /nfs/dbraw/zinc/30/40/45/392304045.db2.gz APGQZXFFYWCPRM-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000108394883 392342577 /nfs/dbraw/zinc/34/25/77/392342577.db2.gz LDSFXWCXDNOZLT-MRXNPFEDSA-N 1 1 292.379 3.376 20 5 CGBDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000362442292 392415994 /nfs/dbraw/zinc/41/59/94/392415994.db2.gz WDCXUUOXTCEXAU-GHMZBOCLSA-N 1 1 266.316 3.354 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccccc1F ZINC000511091493 392826988 /nfs/dbraw/zinc/82/69/88/392826988.db2.gz LVGFPUCZRJJWHZ-UHFFFAOYSA-N 1 1 288.322 3.408 20 5 CGBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000466821014 393061165 /nfs/dbraw/zinc/06/11/65/393061165.db2.gz GANLYISEMWTQCY-LKFCYVNXSA-N 1 1 295.770 3.143 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCO[C@@H](C)C1 ZINC000470174740 393229166 /nfs/dbraw/zinc/22/91/66/393229166.db2.gz NAQYANWMNPWERK-SSUFTNFISA-N 1 1 290.363 3.109 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420287340 393449970 /nfs/dbraw/zinc/44/99/70/393449970.db2.gz HVRYNDIMDZHJGK-MELADBBJSA-N 1 1 291.395 3.023 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000430213339 393540912 /nfs/dbraw/zinc/54/09/12/393540912.db2.gz BKEGAMRHZZTVHT-NEPJUHHUSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@@H]1CC[C@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000429592240 393490113 /nfs/dbraw/zinc/49/01/13/393490113.db2.gz SIJNFNWTQXSMJT-DOMZBBRYSA-N 1 1 262.353 3.258 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2ccccc2C1 ZINC000430226161 393543390 /nfs/dbraw/zinc/54/33/90/393543390.db2.gz MKUZIRQDAZVYPX-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2ccccc2C1 ZINC000430226161 393543394 /nfs/dbraw/zinc/54/33/94/393543394.db2.gz MKUZIRQDAZVYPX-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430239153 393546132 /nfs/dbraw/zinc/54/61/32/393546132.db2.gz MVSWZRYLKZFOEU-AAEUAGOBSA-N 1 1 278.352 3.224 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1(C)CCCC1 ZINC000490212336 393636927 /nfs/dbraw/zinc/63/69/27/393636927.db2.gz ZRFZGHCIYBEDRJ-UHFFFAOYSA-N 1 1 278.352 3.368 20 5 CGBDMO C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000501775647 393861512 /nfs/dbraw/zinc/86/15/12/393861512.db2.gz MCKOAVPCNCYPAO-CHWSQXEVSA-N 1 1 262.353 3.115 20 5 CGBDMO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000092406981 165293588 /nfs/dbraw/zinc/29/35/88/165293588.db2.gz JGIYKVRDQFAIPB-SBJJXXPASA-N 1 1 290.363 3.109 20 5 CGBDMO O=[N+]([O-])c1ccc(CNc2cc[nH+]cc2Cl)cc1 ZINC000094266995 165346577 /nfs/dbraw/zinc/34/65/77/165346577.db2.gz DVIUCGPQDKOHJL-UHFFFAOYSA-N 1 1 263.684 3.255 20 5 CGBDMO CSCC[C@H](C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000126531351 287266872 /nfs/dbraw/zinc/26/68/72/287266872.db2.gz LMXGMIDQWUCCGG-NSHDSACASA-N 1 1 282.409 3.477 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000285392327 196271491 /nfs/dbraw/zinc/27/14/91/196271491.db2.gz SOCALINOWNKOIP-UHFFFAOYSA-N 1 1 276.258 3.022 20 5 CGBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000037174782 173009613 /nfs/dbraw/zinc/00/96/13/173009613.db2.gz GLMCKDPVZNAUPO-JTQLQIEISA-N 1 1 286.784 3.186 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000040718142 174385045 /nfs/dbraw/zinc/38/50/45/174385045.db2.gz HECCVSBDPULBKR-SECBINFHSA-N 1 1 254.717 3.090 20 5 CGBDMO CC(C)[N@H+]1CC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000045652543 175382030 /nfs/dbraw/zinc/38/20/30/175382030.db2.gz JBYXNRJUHKQYLA-NSHDSACASA-N 1 1 283.759 3.143 20 5 CGBDMO C[N@H+](CCc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103468979 270045931 /nfs/dbraw/zinc/04/59/31/270045931.db2.gz PGIUUYYJWLIURS-UHFFFAOYSA-N 1 1 288.322 3.408 20 5 CGBDMO C[N@@H+](CCc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103468979 270045932 /nfs/dbraw/zinc/04/59/32/270045932.db2.gz PGIUUYYJWLIURS-UHFFFAOYSA-N 1 1 288.322 3.408 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000525997428 270122038 /nfs/dbraw/zinc/12/20/38/270122038.db2.gz RVPGQSFEUXBTAJ-ABVOLYDNSA-N 1 1 260.337 3.481 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000394239983 288002155 /nfs/dbraw/zinc/00/21/55/288002155.db2.gz NSYPMOJGSDTZRM-UHFFFAOYSA-N 1 1 266.316 3.498 20 5 CGBDMO CC[N@@H+](C[C@H](C)OC)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000361577634 279228795 /nfs/dbraw/zinc/22/87/95/279228795.db2.gz NFTQRVHSFZKKGV-QWHCGFSZSA-N 1 1 280.368 3.321 20 5 CGBDMO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000294172132 279525685 /nfs/dbraw/zinc/52/56/85/279525685.db2.gz RNOVCFWKBPNFRT-UHIISALHSA-N 1 1 286.335 3.148 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCS[C@H](C)C1 ZINC000182746353 281021464 /nfs/dbraw/zinc/02/14/64/281021464.db2.gz ZGOOQVKMTWNFRF-NEPJUHHUSA-N 1 1 280.393 3.402 20 5 CGBDMO CC(C)C[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000552560276 289192701 /nfs/dbraw/zinc/19/27/01/289192701.db2.gz RCCKJGFDNVOFRZ-LBPRGKRZSA-N 1 1 262.353 3.388 20 5 CGBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C1CC1 ZINC000565394251 322076266 /nfs/dbraw/zinc/07/62/66/322076266.db2.gz FBKVCRIFUQBZLM-AWEZNQCLSA-N 1 1 260.337 3.215 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nccn2C)cc1[N+](=O)[O-] ZINC000183317374 335888361 /nfs/dbraw/zinc/88/83/61/335888361.db2.gz JWADYWUIGIPUMH-VXGBXAGGSA-N 1 1 288.351 3.049 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000413434880 534327938 /nfs/dbraw/zinc/32/79/38/534327938.db2.gz GQUHUEFPRHEWLG-ZDUSSCGKSA-N 1 1 277.368 3.047 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](F)C1 ZINC000449392397 527528549 /nfs/dbraw/zinc/52/85/49/527528549.db2.gz KBRMMQLZPIPDMK-SVTZGKHISA-N 1 1 264.300 3.042 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](F)C1 ZINC000449392397 527528556 /nfs/dbraw/zinc/52/85/56/527528556.db2.gz KBRMMQLZPIPDMK-SVTZGKHISA-N 1 1 264.300 3.042 20 5 CGBDMO CC[C@@H]([NH2+]Cc1ccn(CC)n1)c1cccc([N+](=O)[O-])c1 ZINC000414216290 529187449 /nfs/dbraw/zinc/18/74/49/529187449.db2.gz ZKXCAPHABXEECZ-OAHLLOKOSA-N 1 1 288.351 3.052 20 5 CGBDMO CC[N@H+]1CCC[C@@H](CNc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088716180 535527061 /nfs/dbraw/zinc/52/70/61/535527061.db2.gz IKCAMMBBZGBCLV-ZDUSSCGKSA-N 1 1 277.368 3.047 20 5 CGBDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000743872752 572694597 /nfs/dbraw/zinc/69/45/97/572694597.db2.gz BTHPDWFDWBHLGL-GHMZBOCLSA-N 1 1 266.316 3.354 20 5 CGBDMO CCO[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746675640 572891650 /nfs/dbraw/zinc/89/16/50/572891650.db2.gz UFBXONNUUQSTRS-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO CCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746675640 572891653 /nfs/dbraw/zinc/89/16/53/572891653.db2.gz UFBXONNUUQSTRS-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@@H](C1CC1)[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000047909004 619454479 /nfs/dbraw/zinc/45/44/79/619454479.db2.gz JBLHRYFQVWBMGG-JTQLQIEISA-N 1 1 278.327 3.497 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H](CF)C1 ZINC000895546889 619848531 /nfs/dbraw/zinc/84/85/31/619848531.db2.gz XEWHUNGVPMNRFY-LVDDQXARSA-N 1 1 278.327 3.290 20 5 CGBDMO CS[C@@H]1CCCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000179114987 620302875 /nfs/dbraw/zinc/30/28/75/620302875.db2.gz MSTCRLMPMQTHCH-CYBMUJFWSA-N 1 1 298.383 3.451 20 5 CGBDMO CCC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000171679609 623182934 /nfs/dbraw/zinc/18/29/34/623182934.db2.gz ABAZYOJJMPFNGR-UHFFFAOYSA-N 1 1 252.289 3.108 20 5 CGBDMO CO[C@]1(C)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000230261317 623228277 /nfs/dbraw/zinc/22/82/77/623228277.db2.gz QRSFOSDGXRQXOC-CQSZACIVSA-N 1 1 298.770 3.249 20 5 CGBDMO CO[C@]1(C)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000230261317 623228284 /nfs/dbraw/zinc/22/82/84/623228284.db2.gz QRSFOSDGXRQXOC-CQSZACIVSA-N 1 1 298.770 3.249 20 5 CGBDMO O=[N+]([O-])CC[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000929726269 623532045 /nfs/dbraw/zinc/53/20/45/623532045.db2.gz QTYSBOSZZSYESO-QGZVFWFLSA-N 1 1 282.343 3.063 20 5 CGBDMO O=[N+]([O-])CC[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000929726269 623532054 /nfs/dbraw/zinc/53/20/54/623532054.db2.gz QTYSBOSZZSYESO-QGZVFWFLSA-N 1 1 282.343 3.063 20 5 CGBDMO Cc1ccc([C@@H](C)NCC[N@@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000766273172 627309800 /nfs/dbraw/zinc/30/98/00/627309800.db2.gz NYOXJXKSOBSQLQ-UONOGXRCSA-N 1 1 291.395 3.038 20 5 CGBDMO Cc1ccc([C@@H](C)NCC[N@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000766273172 627309805 /nfs/dbraw/zinc/30/98/05/627309805.db2.gz NYOXJXKSOBSQLQ-UONOGXRCSA-N 1 1 291.395 3.038 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[N@@H+]1CCC[C@@H]1C ZINC000766273466 627311570 /nfs/dbraw/zinc/31/15/70/627311570.db2.gz PPHZYMSGNCOGLB-UONOGXRCSA-N 1 1 291.395 3.038 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[N@H+]1CCC[C@@H]1C ZINC000766273466 627311572 /nfs/dbraw/zinc/31/15/72/627311572.db2.gz PPHZYMSGNCOGLB-UONOGXRCSA-N 1 1 291.395 3.038 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000766992337 627374935 /nfs/dbraw/zinc/37/49/35/627374935.db2.gz UBFIVCGQCIGSIE-WDEREUQCSA-N 1 1 266.316 3.212 20 5 CGBDMO C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776584716 628220790 /nfs/dbraw/zinc/22/07/90/628220790.db2.gz PDLVPLDOXOQZET-XJKCOSOUSA-N 1 1 292.379 3.139 20 5 CGBDMO CC(C)[C@@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783586281 628729189 /nfs/dbraw/zinc/72/91/89/628729189.db2.gz XZGPMYGHZHPAGY-LBPRGKRZSA-N 1 1 268.744 3.479 20 5 CGBDMO CC(C)[C@@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783586281 628729193 /nfs/dbraw/zinc/72/91/93/628729193.db2.gz XZGPMYGHZHPAGY-LBPRGKRZSA-N 1 1 268.744 3.479 20 5 CGBDMO CO[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1C ZINC000784669052 628828533 /nfs/dbraw/zinc/82/85/33/628828533.db2.gz YECTUXNHVYCBLT-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1C ZINC000784669052 628828536 /nfs/dbraw/zinc/82/85/36/628828536.db2.gz YECTUXNHVYCBLT-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO CCOC1CC([N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000805819733 628966953 /nfs/dbraw/zinc/96/69/53/628966953.db2.gz XYTGPSILFHBGCP-UHFFFAOYSA-N 1 1 298.770 3.248 20 5 CGBDMO CC(C)CC(N)=[NH+]O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000789590315 629148613 /nfs/dbraw/zinc/14/86/13/629148613.db2.gz VPTBQZPWJKZAFF-JTQLQIEISA-N 1 1 265.313 3.200 20 5 CGBDMO CC[N@@H+](CC[N+](=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000791052988 629252921 /nfs/dbraw/zinc/25/29/21/629252921.db2.gz QURFISXDKAJSDB-LLVKDONJSA-N 1 1 262.309 3.092 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3ccccn3)C2)cs1 ZINC000798962890 630129383 /nfs/dbraw/zinc/12/93/83/630129383.db2.gz RZDVXJXIMNYUFJ-LBPRGKRZSA-N 1 1 289.360 3.041 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](c3ccccn3)C2)cs1 ZINC000798962890 630129388 /nfs/dbraw/zinc/12/93/88/630129388.db2.gz RZDVXJXIMNYUFJ-LBPRGKRZSA-N 1 1 289.360 3.041 20 5 CGBDMO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000799735937 630228308 /nfs/dbraw/zinc/22/83/08/630228308.db2.gz DSQDUGRENBSSCL-JQWIXIFHSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000799735937 630228310 /nfs/dbraw/zinc/22/83/10/630228310.db2.gz DSQDUGRENBSSCL-JQWIXIFHSA-N 1 1 298.770 3.248 20 5 CGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000811867101 631128241 /nfs/dbraw/zinc/12/82/41/631128241.db2.gz LJBHBYNXFRNSHD-NSHDSACASA-N 1 1 283.347 3.266 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@@H]1CCSC1 ZINC000876572945 634860160 /nfs/dbraw/zinc/86/01/60/634860160.db2.gz KWZCTZKGJBZCLC-GFCCVEGCSA-N 1 1 280.393 3.149 20 5 CGBDMO CO[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000824814873 633293831 /nfs/dbraw/zinc/29/38/31/633293831.db2.gz GBMRESLBWRFTMS-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000824814873 633293882 /nfs/dbraw/zinc/29/38/82/633293882.db2.gz GBMRESLBWRFTMS-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO CC(C)[N@H+]1CC[C@@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000122593621 633445046 /nfs/dbraw/zinc/44/50/46/633445046.db2.gz ZCBGOPFPLKDTIE-NSHDSACASA-N 1 1 297.786 3.390 20 5 CGBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C ZINC000830544935 633870453 /nfs/dbraw/zinc/87/04/53/633870453.db2.gz AQNNCOBPWNIURB-UHFFFAOYSA-N 1 1 256.733 3.479 20 5 CGBDMO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000871935906 633920324 /nfs/dbraw/zinc/92/03/24/633920324.db2.gz CZMBTXKAOBZBOX-ZYHUDNBSSA-N 1 1 286.335 3.105 20 5 CGBDMO CC[N@@H+](CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000872032238 633950201 /nfs/dbraw/zinc/95/02/01/633950201.db2.gz YPHCNJCIDWPQLL-GFCCVEGCSA-N 1 1 297.374 3.115 20 5 CGBDMO COC[C@H]1CCC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876726398 634886604 /nfs/dbraw/zinc/88/66/04/634886604.db2.gz ZYHRERXXHDOCIH-AWEZNQCLSA-N 1 1 292.379 3.070 20 5 CGBDMO Cc1coc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000886127183 637427434 /nfs/dbraw/zinc/42/74/34/637427434.db2.gz DBEIQYLDRBEEPK-NSHDSACASA-N 1 1 260.293 3.347 20 5 CGBDMO CCCCC[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C(C)C ZINC000116256287 639010669 /nfs/dbraw/zinc/01/06/69/639010669.db2.gz QATJBELROYKNKI-UHFFFAOYSA-N 1 1 282.388 3.266 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCC1 ZINC000094774242 640801995 /nfs/dbraw/zinc/80/19/95/640801995.db2.gz FQFOGCNVPABYDK-UHFFFAOYSA-N 1 1 252.289 3.108 20 5 CGBDMO CC[N@@H+](C1CC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475202 806412911 /nfs/dbraw/zinc/41/29/11/806412911.db2.gz BVULPXAAFOQNSA-UHFFFAOYSA-N 1 1 289.379 3.048 20 5 CGBDMO CC(C)C[N@@H+](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550338 806447950 /nfs/dbraw/zinc/44/79/50/806447950.db2.gz HVKPGIMHAGHMFK-GFCCVEGCSA-N 1 1 250.342 3.114 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCCCO1 ZINC001254561640 806451211 /nfs/dbraw/zinc/45/12/11/806451211.db2.gz HIDSDUVBQQOZGV-ZFWWWQNUSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CCC1CC1 ZINC001254564292 806451472 /nfs/dbraw/zinc/45/14/72/806451472.db2.gz KCYWSNKHSCECHQ-GFCCVEGCSA-N 1 1 262.353 3.258 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCn2cccc2[C@@H]1C ZINC001254560487 806451605 /nfs/dbraw/zinc/45/16/05/806451605.db2.gz UCXYPJACBUPRQN-KGLIPLIRSA-N 1 1 299.374 3.404 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCn2cccc2[C@@H]1C ZINC001254560487 806451607 /nfs/dbraw/zinc/45/16/07/806451607.db2.gz UCXYPJACBUPRQN-KGLIPLIRSA-N 1 1 299.374 3.404 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](C3CC3)C2)ccc1Cl ZINC000400285325 799544275 /nfs/dbraw/zinc/54/42/75/799544275.db2.gz KZZMTGUMCUODBD-LBPRGKRZSA-N 1 1 280.755 3.480 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000690391103 799776003 /nfs/dbraw/zinc/77/60/03/799776003.db2.gz JTYNJNBHMOVLAL-JTQLQIEISA-N 1 1 281.331 3.019 20 5 CGBDMO CC(C)N(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C(C)C ZINC001163577945 806787503 /nfs/dbraw/zinc/78/75/03/806787503.db2.gz VABYDUIWEVCQLT-BQYQJAHWSA-N 1 1 292.383 3.145 20 5 CGBDMO CN(CCCCCC[NH3+])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000710706691 800038276 /nfs/dbraw/zinc/03/82/76/800038276.db2.gz WYIWHMVJCTTZAX-UHFFFAOYSA-N 1 1 299.802 3.199 20 5 CGBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC001117761279 802489274 /nfs/dbraw/zinc/48/92/74/802489274.db2.gz UGXGLXYMEACSNF-UHFFFAOYSA-N 1 1 266.341 3.094 20 5 CGBDMO C[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037251 807555596 /nfs/dbraw/zinc/55/55/96/807555596.db2.gz RLPMAMDYRJDYPX-OCCSQVGLSA-N 1 1 282.771 3.217 20 5 CGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC001261258804 807723646 /nfs/dbraw/zinc/72/36/46/807723646.db2.gz MWNZHQMDGDSJIT-UHFFFAOYSA-N 1 1 294.351 3.082 20 5 CGBDMO COc1ccc(C[C@H](C)[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170328686 807826493 /nfs/dbraw/zinc/82/64/93/807826493.db2.gz LJZDVPUTTOGKQS-STQMWFEESA-N 1 1 292.379 3.409 20 5 CGBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170345229 807828965 /nfs/dbraw/zinc/82/89/65/807828965.db2.gz IIYSFQHCUMHBBR-GFCCVEGCSA-N 1 1 292.379 3.266 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001173229949 808543286 /nfs/dbraw/zinc/54/32/86/808543286.db2.gz WMJDMQWXWMTKNY-CHWSQXEVSA-N 1 1 262.353 3.258 20 5 CGBDMO CC[C@@]1(CCc2ccccc2)CCC[N@H+]1CC[N+](=O)[O-] ZINC001175758645 809534583 /nfs/dbraw/zinc/53/45/83/809534583.db2.gz QXKDLTNKLVRSOI-INIZCTEOSA-N 1 1 276.380 3.141 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCSC[C@@H](C)C1 ZINC001181445306 810052895 /nfs/dbraw/zinc/05/28/95/810052895.db2.gz NXOLSHGROMUVRP-NSHDSACASA-N 1 1 294.420 3.397 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@H](C)CCC1(C)C ZINC001195074437 811193876 /nfs/dbraw/zinc/19/38/76/811193876.db2.gz JJESYBRWRYNFJU-LLVKDONJSA-N 1 1 278.352 3.366 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC001204767380 812729677 /nfs/dbraw/zinc/72/96/77/812729677.db2.gz BKJYXNCRHSJWPJ-TXEJJXNPSA-N 1 1 262.353 3.299 20 5 CGBDMO C[C@H](O[C@@H]1CCC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001223429540 816628645 /nfs/dbraw/zinc/62/86/45/816628645.db2.gz LMKAPZITRDQBSH-SWLSCSKDSA-N 1 1 278.352 3.157 20 5 CGBDMO C[C@H](OC1C[NH+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC001223430675 816629793 /nfs/dbraw/zinc/62/97/93/816629793.db2.gz PORGOJBOLXYMGI-NSHDSACASA-N 1 1 278.352 3.155 20 5 CGBDMO C[N@H+]1CCC[C@H](Oc2c3ccccc3ccc2[N+](=O)[O-])C1 ZINC001227214678 817595036 /nfs/dbraw/zinc/59/50/36/817595036.db2.gz OKGMDXCHNALHJP-ZDUSSCGKSA-N 1 1 286.331 3.221 20 5 CGBDMO C[N@H+]1CCC[C@@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC001228255226 817851574 /nfs/dbraw/zinc/85/15/74/817851574.db2.gz FDLCWEIHJMIMNI-GFCCVEGCSA-N 1 1 284.743 3.111 20 5 CGBDMO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001338309660 936316695 /nfs/dbraw/zinc/31/66/95/936316695.db2.gz BBAYOQXUMAWUKK-SECBINFHSA-N 1 1 299.168 3.199 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001338309660 936316699 /nfs/dbraw/zinc/31/66/99/936316699.db2.gz BBAYOQXUMAWUKK-SECBINFHSA-N 1 1 299.168 3.199 20 5 CGBDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001330089604 935268312 /nfs/dbraw/zinc/26/83/12/935268312.db2.gz RUXVKFSMHNRBDA-ZIAGYGMSSA-N 1 1 280.393 3.311 20 5 CGBDMO CC[C@@H](C)[C@@H](C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])OC ZINC001308588081 928533777 /nfs/dbraw/zinc/53/37/77/928533777.db2.gz ZSCHPNHUSJCDTI-IUODEOHRSA-N 1 1 280.368 3.088 20 5 CGBDMO O=[N+]([O-])CC[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC001459381663 937486588 /nfs/dbraw/zinc/48/65/88/937486588.db2.gz WRKQEWDXMBNAFB-UHFFFAOYSA-N 1 1 282.343 3.206 20 5 CGBDMO O=[N+]([O-])CC[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC001459381663 937486590 /nfs/dbraw/zinc/48/65/90/937486590.db2.gz WRKQEWDXMBNAFB-UHFFFAOYSA-N 1 1 282.343 3.206 20 5 CGBDMO Cc1cc(O[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1Cl ZINC001229974818 932513460 /nfs/dbraw/zinc/51/34/60/932513460.db2.gz IVKFYELCHHCCCT-JTQLQIEISA-N 1 1 284.743 3.030 20 5 CGBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001307139451 932768282 /nfs/dbraw/zinc/76/82/82/932768282.db2.gz IGZOFTPQFHIPOV-GFCCVEGCSA-N 1 1 297.786 3.167 20 5 CGBDMO C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC001307861415 933009264 /nfs/dbraw/zinc/00/92/64/933009264.db2.gz XGDFKTPEKHHAKK-CHWSQXEVSA-N 1 1 278.352 3.094 20 5 CGBDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001318785281 933778538 /nfs/dbraw/zinc/77/85/38/933778538.db2.gz UJDOTHRDBZYSEX-QWHCGFSZSA-N 1 1 280.393 3.311 20 5 CGBDMO CC(C)n1cc([C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC001473358249 937803018 /nfs/dbraw/zinc/80/30/18/937803018.db2.gz SIZUMCDVAFKRGO-JTQLQIEISA-N 1 1 294.380 3.285 20 5 CGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCCC(F)F)c2c1 ZINC001333781403 936065523 /nfs/dbraw/zinc/06/55/23/936065523.db2.gz YHSFXLWEHYVYCB-UHFFFAOYSA-N 1 1 281.262 3.022 20 5 CGBDMO C[C@H]([NH2+]Cc1cccnc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC001560133925 938244908 /nfs/dbraw/zinc/24/49/08/938244908.db2.gz QCHGQFMBEAUAKV-JTQLQIEISA-N 1 1 291.738 3.494 20 5 CGBDMO CO[C@@]1(C)CCC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001560803831 938276745 /nfs/dbraw/zinc/27/67/45/938276745.db2.gz GZZDRNQIYIVORO-INIZCTEOSA-N 1 1 292.379 3.213 20 5 CGBDMO COc1cccc2c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000590660572 346860881 /nfs/dbraw/zinc/86/08/81/346860881.db2.gz NVXJVQJBXRQDHZ-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO COc1cccc2c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000590660572 346860885 /nfs/dbraw/zinc/86/08/85/346860885.db2.gz NVXJVQJBXRQDHZ-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)on1 ZINC000125587153 187192303 /nfs/dbraw/zinc/19/23/03/187192303.db2.gz MYMUHHMBDQBKIV-NSHDSACASA-N 1 1 275.308 3.050 20 5 CGBDMO CCc1cnccc1[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000358515613 529678201 /nfs/dbraw/zinc/67/82/01/529678201.db2.gz ZRQGGCCMBAUNCN-SNVBAGLBSA-N 1 1 291.376 3.465 20 5 CGBDMO COc1ccccc1C1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000592142710 346967117 /nfs/dbraw/zinc/96/71/17/346967117.db2.gz BEKLVUGHNQFTLU-UHFFFAOYSA-N 1 1 298.342 3.382 20 5 CGBDMO CC[N@@H+](CCSC)Cc1ccc([N+](=O)[O-])cc1C ZINC000592531491 346997955 /nfs/dbraw/zinc/99/79/55/346997955.db2.gz VFHHWJBFDNKZLZ-UHFFFAOYSA-N 1 1 268.382 3.088 20 5 CGBDMO CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593070829 347035825 /nfs/dbraw/zinc/03/58/25/347035825.db2.gz XFXWVDGPOVOVLS-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO Cc1c(C[N@@H+]2CCC[C@H](OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000593054390 347033252 /nfs/dbraw/zinc/03/32/52/347033252.db2.gz CICFLGSXMSXKDS-HNNXBMFYSA-N 1 1 292.379 3.293 20 5 CGBDMO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)CC(C)C ZINC000051740756 345092024 /nfs/dbraw/zinc/09/20/24/345092024.db2.gz AVMOHQYQRFWKQX-UHFFFAOYSA-N 1 1 250.342 3.381 20 5 CGBDMO CCCC[N@@H+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052877749 345109123 /nfs/dbraw/zinc/10/91/23/345109123.db2.gz RXYJENOMNXHPDE-UHFFFAOYSA-N 1 1 294.351 3.083 20 5 CGBDMO CC(C)CCOCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000056283601 345162538 /nfs/dbraw/zinc/16/25/38/345162538.db2.gz FJCUBWQKGUTNFY-UHFFFAOYSA-N 1 1 280.368 3.089 20 5 CGBDMO CC(C)CCOCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000056283601 345162541 /nfs/dbraw/zinc/16/25/41/345162541.db2.gz FJCUBWQKGUTNFY-UHFFFAOYSA-N 1 1 280.368 3.089 20 5 CGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000059371237 345207376 /nfs/dbraw/zinc/20/73/76/345207376.db2.gz VOMDSBDXRVDORH-UHFFFAOYSA-N 1 1 262.353 3.402 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208254 345269584 /nfs/dbraw/zinc/26/95/84/345269584.db2.gz BIGWVZCTBGYCHU-ZDUSSCGKSA-N 1 1 278.352 3.238 20 5 CGBDMO CCCC[N@@H+](CC)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065533563 345274240 /nfs/dbraw/zinc/27/42/40/345274240.db2.gz LIQHAQQWKBSCFR-UHFFFAOYSA-N 1 1 266.341 3.096 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCOC(C)(C)C ZINC000067716260 345330421 /nfs/dbraw/zinc/33/04/21/345330421.db2.gz RWSQEVFFQPEVLG-GFCCVEGCSA-N 1 1 280.368 3.403 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000088718998 345764117 /nfs/dbraw/zinc/76/41/17/345764117.db2.gz BYWXVDQOQOTAML-GFCCVEGCSA-N 1 1 286.335 3.010 20 5 CGBDMO Cc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])sn1 ZINC000404412343 346599601 /nfs/dbraw/zinc/59/96/01/346599601.db2.gz YOTBBRFLWHZESM-JTQLQIEISA-N 1 1 277.349 3.211 20 5 CGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1sccc1[N+](=O)[O-] ZINC000589608517 346802393 /nfs/dbraw/zinc/80/23/93/346802393.db2.gz LDJSDBLYXVLLOB-JTQLQIEISA-N 1 1 271.386 3.189 20 5 CGBDMO Cc1noc(C[NH2+][C@H](c2cccs2)C2CC2)c1[N+](=O)[O-] ZINC000595411762 347299249 /nfs/dbraw/zinc/29/92/49/347299249.db2.gz SYBTVZHUNAIFRL-LBPRGKRZSA-N 1 1 293.348 3.194 20 5 CGBDMO C[C@@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595056932 347272564 /nfs/dbraw/zinc/27/25/64/347272564.db2.gz SZGQVLGNLPVCIX-OCCSQVGLSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595056932 347272569 /nfs/dbraw/zinc/27/25/69/347272569.db2.gz SZGQVLGNLPVCIX-OCCSQVGLSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595618982 347328659 /nfs/dbraw/zinc/32/86/59/347328659.db2.gz XLJRRMYSYIKZKY-MLGOLLRUSA-N 1 1 290.363 3.157 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595618982 347328660 /nfs/dbraw/zinc/32/86/60/347328660.db2.gz XLJRRMYSYIKZKY-MLGOLLRUSA-N 1 1 290.363 3.157 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](CCF)C1 ZINC000595756701 347351857 /nfs/dbraw/zinc/35/18/57/347351857.db2.gz VUXZALOMHZKVQF-LLVKDONJSA-N 1 1 284.306 3.306 20 5 CGBDMO Cc1c(C[N@H+]2CCC[C@H](CCF)C2)cccc1[N+](=O)[O-] ZINC000595755716 347351991 /nfs/dbraw/zinc/35/19/91/347351991.db2.gz OUOBMLBVEMZZIV-CYBMUJFWSA-N 1 1 280.343 3.475 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000595756627 347352006 /nfs/dbraw/zinc/35/20/06/347352006.db2.gz UTUJRUUIXACRQC-GFCCVEGCSA-N 1 1 296.342 3.175 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000595542841 347317587 /nfs/dbraw/zinc/31/75/87/347317587.db2.gz PHXDWZKWRQIRFL-LBPRGKRZSA-N 1 1 278.327 3.356 20 5 CGBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000595858856 347367961 /nfs/dbraw/zinc/36/79/61/347367961.db2.gz ZEHXEEDQBIYEQD-QXMXGUDHSA-N 1 1 260.337 3.358 20 5 CGBDMO CC1(c2ccccc2)C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000598675974 347678117 /nfs/dbraw/zinc/67/81/17/347678117.db2.gz BSUGQYXPJXKHCZ-UHFFFAOYSA-N 1 1 282.343 3.368 20 5 CGBDMO C[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598954742 347700996 /nfs/dbraw/zinc/70/09/96/347700996.db2.gz GHHBSMFBMCMNDS-TZMCWYRMSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598954742 347700999 /nfs/dbraw/zinc/70/09/99/347700999.db2.gz GHHBSMFBMCMNDS-TZMCWYRMSA-N 1 1 291.395 3.118 20 5 CGBDMO CCC(O)(CC)C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000600214543 347794797 /nfs/dbraw/zinc/79/47/97/347794797.db2.gz AQRXGLSVRCBAJX-CSKARUKUSA-N 1 1 292.379 3.091 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CC(Cc2ccco2)C1 ZINC000600198403 347792535 /nfs/dbraw/zinc/79/25/35/347792535.db2.gz YLSGJJOWEJXABX-UTCJRWHESA-N 1 1 298.342 3.376 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](c3cccnc3)C2)c1 ZINC000602853161 348037539 /nfs/dbraw/zinc/03/75/39/348037539.db2.gz HSSNQEBVKLMKEQ-INIZCTEOSA-N 1 1 297.358 3.369 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604012312 348106693 /nfs/dbraw/zinc/10/66/93/348106693.db2.gz WAWGESKXDJXILP-ZDUSSCGKSA-N 1 1 280.368 3.484 20 5 CGBDMO C[N@@H+](CCC(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000609577995 348348078 /nfs/dbraw/zinc/34/80/78/348348078.db2.gz DNRHZTQDWRCOAX-UHFFFAOYSA-N 1 1 250.342 3.463 20 5 CGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000609133727 348337050 /nfs/dbraw/zinc/33/70/50/348337050.db2.gz ZCEBVOXFPIHNIG-MRXNPFEDSA-N 1 1 290.363 3.238 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000610582771 348391356 /nfs/dbraw/zinc/39/13/56/348391356.db2.gz YPPCQPVVZWQRQH-QWRGUYRKSA-N 1 1 289.335 3.356 20 5 CGBDMO CC[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581404 348391365 /nfs/dbraw/zinc/39/13/65/348391365.db2.gz SXUQROGBQMOTKM-SNVBAGLBSA-N 1 1 275.308 3.110 20 5 CGBDMO CC(C)[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580944 348391417 /nfs/dbraw/zinc/39/14/17/348391417.db2.gz JXGNCKCMQUCCIB-ZDUSSCGKSA-N 1 1 289.335 3.356 20 5 CGBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCOC(C)(C)C ZINC000611274709 348434404 /nfs/dbraw/zinc/43/44/04/348434404.db2.gz KOSQDZNBLOQYAL-CLFYSBASSA-N 1 1 292.379 3.355 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH+]2CC(Cc3ccccc3)C2)cs1 ZINC000611177949 348426476 /nfs/dbraw/zinc/42/64/76/348426476.db2.gz FFWASSCWMKLKQT-UHFFFAOYSA-N 1 1 288.372 3.331 20 5 CGBDMO C[C@H](CNc1sccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000611411752 348448783 /nfs/dbraw/zinc/44/87/83/348448783.db2.gz YQYDBYUESVIMLL-WDEREUQCSA-N 1 1 283.397 3.331 20 5 CGBDMO CCn1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000616131677 348788904 /nfs/dbraw/zinc/78/89/04/348788904.db2.gz OCGKVZJRCWUQGI-UHFFFAOYSA-N 1 1 273.336 3.048 20 5 CGBDMO CCOc1cc(C[N@H+]2CCC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000617196468 348928293 /nfs/dbraw/zinc/92/82/93/348928293.db2.gz SZQJZRGYJXGUAA-AWEZNQCLSA-N 1 1 290.363 3.368 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000339570088 215247875 /nfs/dbraw/zinc/24/78/75/215247875.db2.gz VBNMVLXIGQJKGG-RKDXNWHRSA-N 1 1 254.717 3.088 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000339570088 215247879 /nfs/dbraw/zinc/24/78/79/215247879.db2.gz VBNMVLXIGQJKGG-RKDXNWHRSA-N 1 1 254.717 3.088 20 5 CGBDMO C[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC000352024312 219292370 /nfs/dbraw/zinc/29/23/70/219292370.db2.gz FPPIMRAYPMDRHW-ZJUUUORDSA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC000352024312 219292372 /nfs/dbraw/zinc/29/23/72/219292372.db2.gz FPPIMRAYPMDRHW-ZJUUUORDSA-N 1 1 284.306 3.493 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H]2F)c(Cl)c1 ZINC000339583913 215256537 /nfs/dbraw/zinc/25/65/37/215256537.db2.gz KNXVXJFWAPYRNS-NWDGAFQWSA-N 1 1 272.707 3.228 20 5 CGBDMO Cc1ccoc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000291695355 198061303 /nfs/dbraw/zinc/06/13/03/198061303.db2.gz JOYPQKPZGDRAHK-UHFFFAOYSA-N 1 1 260.293 3.094 20 5 CGBDMO C[C@H]1C[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000122830450 187054369 /nfs/dbraw/zinc/05/43/69/187054369.db2.gz RAJLZVCDTBNNJV-ONGXEEELSA-N 1 1 295.770 3.285 20 5 CGBDMO CC(C)c1[nH+]ccn1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000123573879 187099245 /nfs/dbraw/zinc/09/92/45/187099245.db2.gz TXNHJDUKPYVKDD-UHFFFAOYSA-N 1 1 289.335 3.384 20 5 CGBDMO COCC[C@@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000364156823 234024183 /nfs/dbraw/zinc/02/41/83/234024183.db2.gz DKBPCULZYGGPCR-AWEZNQCLSA-N 1 1 292.379 3.233 20 5 CGBDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000292380548 198266024 /nfs/dbraw/zinc/26/60/24/198266024.db2.gz JOEGUXLOVASGES-LLVKDONJSA-N 1 1 298.383 3.309 20 5 CGBDMO Cc1cc(NCC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000413434377 235277393 /nfs/dbraw/zinc/27/73/93/235277393.db2.gz GBBUOLQSWNNLKA-CYBMUJFWSA-N 1 1 277.368 3.047 20 5 CGBDMO CCC[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000106867433 138356318 /nfs/dbraw/zinc/35/63/18/138356318.db2.gz PCDWSXWAKJDVMW-CYBMUJFWSA-N 1 1 298.408 3.437 20 5 CGBDMO CCC[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000106867433 138356319 /nfs/dbraw/zinc/35/63/19/138356319.db2.gz PCDWSXWAKJDVMW-CYBMUJFWSA-N 1 1 298.408 3.437 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128833203 138394911 /nfs/dbraw/zinc/39/49/11/138394911.db2.gz CFBAGTGYUKNMPZ-NWDGAFQWSA-N 1 1 295.770 3.287 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426455466 236295474 /nfs/dbraw/zinc/29/54/74/236295474.db2.gz SQZNDHCEJOPCIM-DOMZBBRYSA-N 1 1 290.363 3.368 20 5 CGBDMO CCCC[N@@H+](CCCO)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182156903 189315647 /nfs/dbraw/zinc/31/56/47/189315647.db2.gz HBCGXAIQHWKCCR-CYBMUJFWSA-N 1 1 280.368 3.140 20 5 CGBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000301607085 201091960 /nfs/dbraw/zinc/09/19/60/201091960.db2.gz NMWPCIJSXKNCRJ-LBPRGKRZSA-N 1 1 295.358 3.124 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccco1 ZINC000183236510 189351137 /nfs/dbraw/zinc/35/11/37/189351137.db2.gz TVUPRFMCFGJBRM-UHFFFAOYSA-N 1 1 260.293 3.128 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccco1 ZINC000183236510 189351138 /nfs/dbraw/zinc/35/11/38/189351138.db2.gz TVUPRFMCFGJBRM-UHFFFAOYSA-N 1 1 260.293 3.128 20 5 CGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@H](F)C3)o2)c1 ZINC000449385848 239374979 /nfs/dbraw/zinc/37/49/79/239374979.db2.gz GWBPGBWZUASABW-GFCCVEGCSA-N 1 1 290.294 3.399 20 5 CGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@@H](F)C3)o2)c1 ZINC000449385848 239374984 /nfs/dbraw/zinc/37/49/84/239374984.db2.gz GWBPGBWZUASABW-GFCCVEGCSA-N 1 1 290.294 3.399 20 5 CGBDMO Cc1c(C[N@@H+](C)CCC2CCOCC2)cccc1[N+](=O)[O-] ZINC000120504849 370774695 /nfs/dbraw/zinc/77/46/95/370774695.db2.gz TVCGTAGOCFNEFT-UHFFFAOYSA-N 1 1 292.379 3.152 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451648238 240339906 /nfs/dbraw/zinc/33/99/06/240339906.db2.gz OXBHDNZELWMCIK-AWEZNQCLSA-N 1 1 296.367 3.061 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000451648238 240339909 /nfs/dbraw/zinc/33/99/09/240339909.db2.gz OXBHDNZELWMCIK-AWEZNQCLSA-N 1 1 296.367 3.061 20 5 CGBDMO CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000048953924 369376534 /nfs/dbraw/zinc/37/65/34/369376534.db2.gz NQCLNNRFIKIVSO-GFCCVEGCSA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@@H](C1CC1)[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000054174634 369497330 /nfs/dbraw/zinc/49/73/30/369497330.db2.gz LYXJRIHBFYOABH-VIFPVBQESA-N 1 1 266.366 3.419 20 5 CGBDMO CSC[C@H]1CCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093760947 370156641 /nfs/dbraw/zinc/15/66/41/370156641.db2.gz JBAHEDHMAOAKCK-CYBMUJFWSA-N 1 1 280.393 3.231 20 5 CGBDMO C[C@H]1CCCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000512209138 245024834 /nfs/dbraw/zinc/02/48/34/245024834.db2.gz MVOUUFBALVDSIH-ZDUSSCGKSA-N 1 1 278.352 3.238 20 5 CGBDMO COCCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000117874400 370601655 /nfs/dbraw/zinc/60/16/55/370601655.db2.gz HHKCIEBXFUXHDV-UHFFFAOYSA-N 1 1 280.368 3.232 20 5 CGBDMO CSC[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000135486507 371431926 /nfs/dbraw/zinc/43/19/26/371431926.db2.gz GCBACPJWRMYZEM-ZDUSSCGKSA-N 1 1 280.393 3.231 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ncc[nH]2)cc1[N+](=O)[O-] ZINC000139029079 371506564 /nfs/dbraw/zinc/50/65/64/371506564.db2.gz GNDLIFBAONYGRM-GHMZBOCLSA-N 1 1 274.324 3.038 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCOC1 ZINC000291217993 372139828 /nfs/dbraw/zinc/13/98/28/372139828.db2.gz JDRDPGPALOYULA-CYBMUJFWSA-N 1 1 298.770 3.248 20 5 CGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCOC1 ZINC000291217993 372139834 /nfs/dbraw/zinc/13/98/34/372139834.db2.gz JDRDPGPALOYULA-CYBMUJFWSA-N 1 1 298.770 3.248 20 5 CGBDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000161240837 372312532 /nfs/dbraw/zinc/31/25/32/372312532.db2.gz VHVUAKNAJCVVQL-SNVBAGLBSA-N 1 1 286.372 3.307 20 5 CGBDMO C[C@@H]1CC2(CCC2)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000432787506 372572073 /nfs/dbraw/zinc/57/20/73/372572073.db2.gz GXQVXKFFXKANSG-GFCCVEGCSA-N 1 1 260.337 3.359 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCSC(C)(C)C1 ZINC000434908381 372718697 /nfs/dbraw/zinc/71/86/97/372718697.db2.gz ADKLCLATERLTQX-NSHDSACASA-N 1 1 280.393 3.483 20 5 CGBDMO CC(C)[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000438322579 372924336 /nfs/dbraw/zinc/92/43/36/372924336.db2.gz BIXKPRNRLKGYGW-ZDUSSCGKSA-N 1 1 262.353 3.463 20 5 CGBDMO CO[C@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295852388 372935638 /nfs/dbraw/zinc/93/56/38/372935638.db2.gz DQGXSESYTPLSAD-WFASDCNBSA-N 1 1 292.379 3.403 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000444647395 373218773 /nfs/dbraw/zinc/21/87/73/373218773.db2.gz FAEJAUOVWFNEIE-MNOVXSKESA-N 1 1 288.351 3.092 20 5 CGBDMO CC[C@@H](C)C[N@@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444642269 373219517 /nfs/dbraw/zinc/21/95/17/373219517.db2.gz SVEGTROFKDAAIY-LLVKDONJSA-N 1 1 290.367 3.339 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]1C1CC1 ZINC000449425570 373698207 /nfs/dbraw/zinc/69/82/07/373698207.db2.gz HVWLEPXSWUATJQ-ONOODXEBSA-N 1 1 272.348 3.482 20 5 CGBDMO Cc1cc(NCc2ccc([N+](=O)[O-])cc2Cl)nc(C)[nH+]1 ZINC000302219719 373830757 /nfs/dbraw/zinc/83/07/57/373830757.db2.gz RJRFRXOIKFEKFN-UHFFFAOYSA-N 1 1 292.726 3.267 20 5 CGBDMO C[C@@H]1CSCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179661938 373900271 /nfs/dbraw/zinc/90/02/71/373900271.db2.gz UMAZFLNFHBUBOU-FVOPLDGLSA-N 1 1 278.377 3.045 20 5 CGBDMO C[C@@H]1CSCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179661938 373900274 /nfs/dbraw/zinc/90/02/74/373900274.db2.gz UMAZFLNFHBUBOU-FVOPLDGLSA-N 1 1 278.377 3.045 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000449737834 373865551 /nfs/dbraw/zinc/86/55/51/373865551.db2.gz ZXULQDUJFHMFEU-OAHLLOKOSA-N 1 1 292.404 3.314 20 5 CGBDMO C[C@H]([NH2+]Cc1ccncc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180437844 374006505 /nfs/dbraw/zinc/00/65/05/374006505.db2.gz KSHFCVZXJZYDFN-JTQLQIEISA-N 1 1 291.738 3.494 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CCC1 ZINC000311797355 374257337 /nfs/dbraw/zinc/25/73/37/374257337.db2.gz ZGLRCHAYDGWLLF-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCS[C@H](C)C1 ZINC000182746333 374320169 /nfs/dbraw/zinc/32/01/69/374320169.db2.gz ZGOOQVKMTWNFRF-VXGBXAGGSA-N 1 1 280.393 3.402 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000464678278 374891688 /nfs/dbraw/zinc/89/16/88/374891688.db2.gz ONZPKDFMCDXVCP-LLVKDONJSA-N 1 1 296.342 3.220 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000491894922 375360230 /nfs/dbraw/zinc/36/02/30/375360230.db2.gz RVCQHWCMRAWACV-SKDRFNHKSA-N 1 1 266.728 3.233 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000491894922 375360236 /nfs/dbraw/zinc/36/02/36/375360236.db2.gz RVCQHWCMRAWACV-SKDRFNHKSA-N 1 1 266.728 3.233 20 5 CGBDMO CCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1CC1 ZINC000509161225 375773915 /nfs/dbraw/zinc/77/39/15/375773915.db2.gz AQDKIZNWFRFCDW-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO C[C@@H]1CCCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000512186485 375794286 /nfs/dbraw/zinc/79/42/86/375794286.db2.gz VYWUFLUDWNKYOZ-CYBMUJFWSA-N 1 1 262.353 3.402 20 5 CGBDMO CCC(CC)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000536673944 376119412 /nfs/dbraw/zinc/11/94/12/376119412.db2.gz FMEPCGUDUXQHIC-UHFFFAOYSA-N 1 1 262.353 3.389 20 5 CGBDMO CCC[N@@H+](CC)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000229328572 376462665 /nfs/dbraw/zinc/46/26/65/376462665.db2.gz PEEQESANMPWESL-UHFFFAOYSA-N 1 1 265.357 3.047 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000542254011 376525744 /nfs/dbraw/zinc/52/57/44/376525744.db2.gz VZJNPQBUGFBACZ-GFCCVEGCSA-N 1 1 262.353 3.463 20 5 CGBDMO CC(C)(C)[C@H]1CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338963120 376604060 /nfs/dbraw/zinc/60/40/60/376604060.db2.gz LTRMMIMXTHFSEY-CQSZACIVSA-N 1 1 278.352 3.311 20 5 CGBDMO CC/C=C\CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558740736 377041208 /nfs/dbraw/zinc/04/12/08/377041208.db2.gz OCKFBZYUXDJFQO-PLNGDYQASA-N 1 1 262.353 3.425 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2c(F)cccc2F)cc1 ZINC000037668261 249003200 /nfs/dbraw/zinc/00/32/00/249003200.db2.gz ZYRMDDXJAWQBOF-UHFFFAOYSA-N 1 1 278.258 3.163 20 5 CGBDMO C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000255470949 377760165 /nfs/dbraw/zinc/76/01/65/377760165.db2.gz MVZJAASWHRAVCT-WFMXKNRHSA-N 1 1 260.337 3.338 20 5 CGBDMO C[C@@H]1CSCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255619665 377770052 /nfs/dbraw/zinc/77/00/52/377770052.db2.gz UMAZFLNFHBUBOU-TXNVCOODSA-N 1 1 278.377 3.045 20 5 CGBDMO C[C@@H]1CSCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255619665 377770061 /nfs/dbraw/zinc/77/00/61/377770061.db2.gz UMAZFLNFHBUBOU-TXNVCOODSA-N 1 1 278.377 3.045 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2C2CCC2)cs1 ZINC000343006449 377880077 /nfs/dbraw/zinc/88/00/77/377880077.db2.gz BANZCZZWRHESMX-GFCCVEGCSA-N 1 1 266.366 3.421 20 5 CGBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000270529425 378364910 /nfs/dbraw/zinc/36/49/10/378364910.db2.gz OGIUFWQWIIJXLQ-LLVKDONJSA-N 1 1 286.784 3.186 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@](C)(O)CC1 ZINC000279872725 379540394 /nfs/dbraw/zinc/54/03/94/379540394.db2.gz CBXLZXHMAZHBIM-BBRMVZONSA-N 1 1 292.379 3.201 20 5 CGBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC1CC1 ZINC000266911172 190290102 /nfs/dbraw/zinc/29/01/02/190290102.db2.gz LOJDLBXZOWNFMF-UHFFFAOYSA-N 1 1 254.717 3.090 20 5 CGBDMO Cc1ccc[nH+]c1NCc1ccc([N+](=O)[O-])cc1F ZINC000353196009 380164027 /nfs/dbraw/zinc/16/40/27/380164027.db2.gz WDWBBEXOCWAMGN-UHFFFAOYSA-N 1 1 261.256 3.049 20 5 CGBDMO Cc1cn2cc(Nc3ccccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000354092126 380319370 /nfs/dbraw/zinc/31/93/70/380319370.db2.gz POUGKMBZHDEZOT-UHFFFAOYSA-N 1 1 268.276 3.295 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3CCC[C@H]32)c(F)c1 ZINC000355114284 380580676 /nfs/dbraw/zinc/58/06/76/380580676.db2.gz UKKXXAXDYUZHLU-QMTHXVAHSA-N 1 1 264.300 3.108 20 5 CGBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000357725816 381266108 /nfs/dbraw/zinc/26/61/08/381266108.db2.gz DJUNHYMPEUUDCQ-QWHCGFSZSA-N 1 1 278.352 3.094 20 5 CGBDMO CC[N@@H+](C[C@@H]1CCCO1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000330727906 285031236 /nfs/dbraw/zinc/03/12/36/285031236.db2.gz MKMRDUCMTHWCSF-HIFRSBDPSA-N 1 1 292.379 3.465 20 5 CGBDMO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000288656641 197138544 /nfs/dbraw/zinc/13/85/44/197138544.db2.gz VMOJVMBOJBJRNX-BZNIZROVSA-N 1 1 284.315 3.207 20 5 CGBDMO CC[C@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCCO1 ZINC000281303579 195190053 /nfs/dbraw/zinc/19/00/53/195190053.db2.gz HPSLGDGHBKYNNE-HIFRSBDPSA-N 1 1 292.379 3.465 20 5 CGBDMO CCOc1cc(C[N@@H+](C)CCCSC)ccc1[N+](=O)[O-] ZINC000281321288 195196968 /nfs/dbraw/zinc/19/69/68/195196968.db2.gz IQHUXDAEZYLDJE-UHFFFAOYSA-N 1 1 298.408 3.178 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CC[C@H]2CCCO2)C2CC2)cc1 ZINC000189791783 130023381 /nfs/dbraw/zinc/02/33/81/130023381.db2.gz HJMHAKPISRIRHA-MRXNPFEDSA-N 1 1 290.363 3.128 20 5 CGBDMO C[N@H+](Cc1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC000061779316 392128911 /nfs/dbraw/zinc/12/89/11/392128911.db2.gz AYGMNXFTHJUIIW-UHFFFAOYSA-N 1 1 262.334 3.288 20 5 CGBDMO C[N@@H+](Cc1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC000061779316 392128915 /nfs/dbraw/zinc/12/89/15/392128915.db2.gz AYGMNXFTHJUIIW-UHFFFAOYSA-N 1 1 262.334 3.288 20 5 CGBDMO CCCO[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000108393786 392342343 /nfs/dbraw/zinc/34/23/43/392342343.db2.gz UYXUVDCZIYDFHD-INIZCTEOSA-N 1 1 292.379 3.376 20 5 CGBDMO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cn1 ZINC000161889298 392587655 /nfs/dbraw/zinc/58/76/55/392587655.db2.gz PGVQVSONPOXZFO-CYBMUJFWSA-N 1 1 289.310 3.370 20 5 CGBDMO CC[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000156576889 392547951 /nfs/dbraw/zinc/54/79/51/392547951.db2.gz PXIVNDMNFXNQQC-INWMFGNUSA-N 1 1 291.395 3.118 20 5 CGBDMO CC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000156576889 392547957 /nfs/dbraw/zinc/54/79/57/392547957.db2.gz PXIVNDMNFXNQQC-INWMFGNUSA-N 1 1 291.395 3.118 20 5 CGBDMO CC(C)O[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000404573293 392967357 /nfs/dbraw/zinc/96/73/57/392967357.db2.gz JIMSQXRTVFVRKU-CQSZACIVSA-N 1 1 296.342 3.123 20 5 CGBDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000404573293 392967364 /nfs/dbraw/zinc/96/73/64/392967364.db2.gz JIMSQXRTVFVRKU-CQSZACIVSA-N 1 1 296.342 3.123 20 5 CGBDMO CC[C@H]1C[C@H](C)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000466935589 393075243 /nfs/dbraw/zinc/07/52/43/393075243.db2.gz KOKDDOQQGLHIJG-STQMWFEESA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@@H]1C[C@@H](C)[NH+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000547769145 393146792 /nfs/dbraw/zinc/14/67/92/393146792.db2.gz ZVGGIVUMIOFBRR-GHMZBOCLSA-N 1 1 287.319 3.233 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1cccn1C ZINC000470177212 393232016 /nfs/dbraw/zinc/23/20/16/393232016.db2.gz QJYFEAKKROKDJX-UVTDQMKNSA-N 1 1 299.374 3.469 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c(F)c1 ZINC000356272210 393402588 /nfs/dbraw/zinc/40/25/88/393402588.db2.gz BNVQJQDSJYPYOZ-HNNXBMFYSA-N 1 1 290.338 3.498 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c(F)c1 ZINC000356272210 393402592 /nfs/dbraw/zinc/40/25/92/393402592.db2.gz BNVQJQDSJYPYOZ-HNNXBMFYSA-N 1 1 290.338 3.498 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCSC[C@@H](C)C1 ZINC000488241335 393472680 /nfs/dbraw/zinc/47/26/80/393472680.db2.gz DDRJSYNMXKQWNT-RYUDHWBXSA-N 1 1 280.393 3.341 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429581160 393488737 /nfs/dbraw/zinc/48/87/37/393488737.db2.gz YEBPVZYTFHPFOJ-YPMHNXCESA-N 1 1 278.352 3.224 20 5 CGBDMO CC[C@H]1CC[N@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000430185106 393534581 /nfs/dbraw/zinc/53/45/81/393534581.db2.gz CGXIQMYXQQBTFZ-UQTJOTSZSA-N 1 1 260.337 3.482 20 5 CGBDMO CC[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430194773 393535971 /nfs/dbraw/zinc/53/59/71/393535971.db2.gz KXOAIQZCWSALDE-LLVKDONJSA-N 1 1 266.341 3.081 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000430258099 393551004 /nfs/dbraw/zinc/55/10/04/393551004.db2.gz BKVAGTGDQRVUNZ-GFCCVEGCSA-N 1 1 290.363 3.392 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000430258099 393551007 /nfs/dbraw/zinc/55/10/07/393551007.db2.gz BKVAGTGDQRVUNZ-GFCCVEGCSA-N 1 1 290.363 3.392 20 5 CGBDMO CCOc1cc(C[N@@H+](C)CC2CCC2)ccc1[N+](=O)[O-] ZINC000492463617 393739091 /nfs/dbraw/zinc/73/90/91/393739091.db2.gz QEQPVQMKOSFIKK-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO CCOc1cc(C[N@H+](C)Cc2ccoc2)ccc1[N+](=O)[O-] ZINC000492374135 393725492 /nfs/dbraw/zinc/72/54/92/393725492.db2.gz GNOUAWJCIVYCSN-UHFFFAOYSA-N 1 1 290.319 3.219 20 5 CGBDMO CCOc1cc(C[N@@H+](C)Cc2ccoc2)ccc1[N+](=O)[O-] ZINC000492374135 393725495 /nfs/dbraw/zinc/72/54/95/393725495.db2.gz GNOUAWJCIVYCSN-UHFFFAOYSA-N 1 1 290.319 3.219 20 5 CGBDMO C[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000494144552 393775588 /nfs/dbraw/zinc/77/55/88/393775588.db2.gz HRCQHWKUKLBGTD-JTQLQIEISA-N 1 1 268.744 3.480 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000494144552 393775592 /nfs/dbraw/zinc/77/55/92/393775592.db2.gz HRCQHWKUKLBGTD-JTQLQIEISA-N 1 1 268.744 3.480 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000449527157 393884556 /nfs/dbraw/zinc/88/45/56/393884556.db2.gz GNLFITLPXSWYLJ-HNNXBMFYSA-N 1 1 292.404 3.231 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275501066 292296660 /nfs/dbraw/zinc/29/66/60/292296660.db2.gz QZUIFFQEIFYEKB-SWLSCSKDSA-N 1 1 292.379 3.057 20 5 CGBDMO C[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000149434734 287018211 /nfs/dbraw/zinc/01/82/11/287018211.db2.gz XMJXTWCXDKLCGE-CYBMUJFWSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@H](C1CC1)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000076912999 287036652 /nfs/dbraw/zinc/03/66/52/287036652.db2.gz HBOILRCLPUMGOE-GFCCVEGCSA-N 1 1 274.364 3.400 20 5 CGBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cncs1 ZINC000271839709 287051812 /nfs/dbraw/zinc/05/18/12/287051812.db2.gz VSUNOCQFEDWRSD-VHSXEESVSA-N 1 1 277.349 3.463 20 5 CGBDMO COCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC(C)C ZINC000092563382 165303418 /nfs/dbraw/zinc/30/34/18/165303418.db2.gz OHUXRAXVPXMTEF-UHFFFAOYSA-N 1 1 280.368 3.008 20 5 CGBDMO Cc1ccc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000092540602 287112430 /nfs/dbraw/zinc/11/24/30/287112430.db2.gz PSAGFISYRLUSCY-TXEJJXNPSA-N 1 1 280.393 3.229 20 5 CGBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000020526152 171239165 /nfs/dbraw/zinc/23/91/65/171239165.db2.gz DQMAMLFSBSEYSU-NWDGAFQWSA-N 1 1 271.320 3.402 20 5 CGBDMO CSCC[C@H](C)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000126580067 287267994 /nfs/dbraw/zinc/26/79/94/287267994.db2.gz GJYYTLQNHMWWAS-LBPRGKRZSA-N 1 1 298.408 3.047 20 5 CGBDMO CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000127576589 287291063 /nfs/dbraw/zinc/29/10/63/287291063.db2.gz GFZSQKKANXKTTL-KGLIPLIRSA-N 1 1 293.411 3.284 20 5 CGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000179315033 265753943 /nfs/dbraw/zinc/75/39/43/265753943.db2.gz HYUJITMQLDHGED-ZDUSSCGKSA-N 1 1 260.337 3.383 20 5 CGBDMO C[C@H]1CCC[C@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000520845194 270099230 /nfs/dbraw/zinc/09/92/30/270099230.db2.gz OWNATOUDWAQETF-ZFWWWQNUSA-N 1 1 292.379 3.484 20 5 CGBDMO CC(C)[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000522712164 270106838 /nfs/dbraw/zinc/10/68/38/270106838.db2.gz FVKFJISVRFMZNR-MRXNPFEDSA-N 1 1 292.379 3.484 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@]2(C)CO)cc1[N+](=O)[O-] ZINC000530411911 270199481 /nfs/dbraw/zinc/19/94/81/270199481.db2.gz BBBZGKVWDPOVPA-MRXNPFEDSA-N 1 1 292.379 3.065 20 5 CGBDMO C[C@@H](C1CCC1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000357029715 274206151 /nfs/dbraw/zinc/20/61/51/274206151.db2.gz WPEZDKKSKTXHOD-LBPRGKRZSA-N 1 1 278.352 3.094 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000179398232 276052459 /nfs/dbraw/zinc/05/24/59/276052459.db2.gz YHLUMQZXMSFHGK-CYBMUJFWSA-N 1 1 292.379 3.329 20 5 CGBDMO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc([N+](=O)[O-])cc1 ZINC000271546496 278383890 /nfs/dbraw/zinc/38/38/90/278383890.db2.gz UIHOXTDKKIKMGO-YGRLFVJLSA-N 1 1 286.335 3.046 20 5 CGBDMO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc([N+](=O)[O-])cc1 ZINC000271546496 278383891 /nfs/dbraw/zinc/38/38/91/278383891.db2.gz UIHOXTDKKIKMGO-YGRLFVJLSA-N 1 1 286.335 3.046 20 5 CGBDMO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000297329253 279525737 /nfs/dbraw/zinc/52/57/37/279525737.db2.gz NWIGHZXOLFQJHK-UHIISALHSA-N 1 1 286.335 3.148 20 5 CGBDMO CC(C)[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000487054007 280016238 /nfs/dbraw/zinc/01/62/38/280016238.db2.gz CTXRRTDTRBIMRZ-AWEZNQCLSA-N 1 1 297.786 3.025 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000553074443 289207439 /nfs/dbraw/zinc/20/74/39/289207439.db2.gz IHTQAUFWLWNPKX-LLVKDONJSA-N 1 1 293.342 3.163 20 5 CGBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C1CC1 ZINC000565394252 322076014 /nfs/dbraw/zinc/07/60/14/322076014.db2.gz FBKVCRIFUQBZLM-CQSZACIVSA-N 1 1 260.337 3.215 20 5 CGBDMO C[C@H](c1ccccn1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000177024806 335355021 /nfs/dbraw/zinc/35/50/21/335355021.db2.gz ILRGAHUGNQVDHM-GFCCVEGCSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@H](c1ccccn1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000177024806 335355022 /nfs/dbraw/zinc/35/50/22/335355022.db2.gz ILRGAHUGNQVDHM-GFCCVEGCSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000349411581 335464412 /nfs/dbraw/zinc/46/44/12/335464412.db2.gz KYHDCWXYLMCKBH-YGRLFVJLSA-N 1 1 292.360 3.041 20 5 CGBDMO CCOc1cccc(N[C@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000387464103 336194167 /nfs/dbraw/zinc/19/41/67/336194167.db2.gz NNSDESSSBOVWBT-GFCCVEGCSA-N 1 1 295.383 3.134 20 5 CGBDMO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cncc(F)c1 ZINC000358992612 533942332 /nfs/dbraw/zinc/94/23/32/533942332.db2.gz OJPCSVBDOMPDGP-QMMMGPOBSA-N 1 1 281.312 3.041 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NCCNc2cccc(C)[nH+]2)c1 ZINC000447051066 534326898 /nfs/dbraw/zinc/32/68/98/534326898.db2.gz RAGKIKSKQQGIQL-UHFFFAOYSA-N 1 1 286.335 3.131 20 5 CGBDMO CCc1nocc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000339294610 522955537 /nfs/dbraw/zinc/95/55/37/522955537.db2.gz ZSTKNBHULRZUAK-LLVKDONJSA-N 1 1 289.335 3.304 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)c1ccncc1 ZINC000183705240 525563008 /nfs/dbraw/zinc/56/30/08/525563008.db2.gz HZOYOAROZOZKHO-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1cncc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000184396503 526213256 /nfs/dbraw/zinc/21/32/56/526213256.db2.gz JVEYDXYHGRKTTN-GFCCVEGCSA-N 1 1 271.320 3.149 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](F)C1 ZINC000449392396 527502250 /nfs/dbraw/zinc/50/22/50/527502250.db2.gz KBRMMQLZPIPDMK-LWMSPQMPSA-N 1 1 264.300 3.042 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](F)C1 ZINC000449392396 527502255 /nfs/dbraw/zinc/50/22/55/527502255.db2.gz KBRMMQLZPIPDMK-LWMSPQMPSA-N 1 1 264.300 3.042 20 5 CGBDMO CC(C)c1ccc(C[N@@H+](C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000128059304 528092949 /nfs/dbraw/zinc/09/29/49/528092949.db2.gz CDRNQQDRCQEKLV-CQSZACIVSA-N 1 1 292.379 3.329 20 5 CGBDMO CCCC[N@@H+](C)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000440603424 528348850 /nfs/dbraw/zinc/34/88/50/528348850.db2.gz YWEMYWMGFOOYDT-UHFFFAOYSA-N 1 1 287.310 3.017 20 5 CGBDMO CC(C)C[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000500460196 535284724 /nfs/dbraw/zinc/28/47/24/535284724.db2.gz UQVAJDWLOUBCRZ-HNNXBMFYSA-N 1 1 292.379 3.484 20 5 CGBDMO CCC(CC)[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000750054937 573077183 /nfs/dbraw/zinc/07/71/83/573077183.db2.gz VUBXQNOYRXVIRH-INIZCTEOSA-N 1 1 292.379 3.281 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](C)CC1 ZINC000896583356 620030574 /nfs/dbraw/zinc/03/05/74/620030574.db2.gz FWJPIXQPMAKFPY-JWAFFJSPSA-N 1 1 290.363 3.109 20 5 CGBDMO CCO[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000042422105 620855766 /nfs/dbraw/zinc/85/57/66/620855766.db2.gz PGRCDVRPOVBFQC-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CCO[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000042422105 620855767 /nfs/dbraw/zinc/85/57/67/620855767.db2.gz PGRCDVRPOVBFQC-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@@H]([NH2+]C/C=C/Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000903445164 621757106 /nfs/dbraw/zinc/75/71/06/621757106.db2.gz SDONJYNLEUYBPH-GWSCVKMXSA-N 1 1 258.680 3.137 20 5 CGBDMO COc1cc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000924800297 621954903 /nfs/dbraw/zinc/95/49/03/621954903.db2.gz XRRKDQCRXQKXAG-NXEZZACHSA-N 1 1 291.307 3.003 20 5 CGBDMO CC(C)[N@@H+](C)CCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000226392026 622965973 /nfs/dbraw/zinc/96/59/73/622965973.db2.gz OLYJKXRTSDRDFQ-UHFFFAOYSA-N 1 1 299.802 3.068 20 5 CGBDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000839659207 626771798 /nfs/dbraw/zinc/77/17/98/626771798.db2.gz XRORXYGUXQAGKP-JTQLQIEISA-N 1 1 293.323 3.123 20 5 CGBDMO CC(C)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000775445359 628095537 /nfs/dbraw/zinc/09/55/37/628095537.db2.gz FJDUUANCJIPYQV-INIZCTEOSA-N 1 1 285.347 3.477 20 5 CGBDMO CC(C)[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1F ZINC000791053745 629252903 /nfs/dbraw/zinc/25/29/03/629252903.db2.gz GCQXHJDMDYDRMG-GFCCVEGCSA-N 1 1 274.723 3.043 20 5 CGBDMO CC[N@@H+](CC[N+](=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000791052989 629253180 /nfs/dbraw/zinc/25/31/80/629253180.db2.gz QURFISXDKAJSDB-NSHDSACASA-N 1 1 262.309 3.092 20 5 CGBDMO CC(C)C1C[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000793192404 629425923 /nfs/dbraw/zinc/42/59/23/629425923.db2.gz PKBNLBZZSXMEAS-UHFFFAOYSA-N 1 1 268.744 3.336 20 5 CGBDMO CC(C)(F)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000865652891 630255185 /nfs/dbraw/zinc/25/51/85/630255185.db2.gz MDSSJAUKNMOUOZ-UHFFFAOYSA-N 1 1 260.696 3.086 20 5 CGBDMO Cc1nn(C[NH+]2CCC(C)(CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000808231825 630631293 /nfs/dbraw/zinc/63/12/93/630631293.db2.gz OYQVUWPESVPISC-UHFFFAOYSA-N 1 1 294.399 3.205 20 5 CGBDMO C[C@H]1CC(C)(C)C[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000840184820 630811510 /nfs/dbraw/zinc/81/15/10/630811510.db2.gz UJNZNDKKEIWQKS-NSHDSACASA-N 1 1 288.351 3.022 20 5 CGBDMO CCCC[C@H](C)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000810125024 630840424 /nfs/dbraw/zinc/84/04/24/630840424.db2.gz MLHUOUJJTCQBKN-SWLSCSKDSA-N 1 1 280.368 3.139 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(CCF)CC1 ZINC000879210281 635726595 /nfs/dbraw/zinc/72/65/95/635726595.db2.gz YGHYLDXWNTVCAL-UHFFFAOYSA-N 1 1 284.306 3.306 20 5 CGBDMO Cc1nn(C[N@H+](C)CCC2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000101539143 634185693 /nfs/dbraw/zinc/18/56/93/634185693.db2.gz SKLORGIPSCMLNK-UHFFFAOYSA-N 1 1 294.399 3.268 20 5 CGBDMO Cc1nn(C[N@@H+](C)CCC2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000101539143 634185695 /nfs/dbraw/zinc/18/56/95/634185695.db2.gz SKLORGIPSCMLNK-UHFFFAOYSA-N 1 1 294.399 3.268 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CC1CCSCC1)C2 ZINC000876741411 634889117 /nfs/dbraw/zinc/88/91/17/634889117.db2.gz ULUGJNUUVPQVGY-UHFFFAOYSA-N 1 1 292.404 3.096 20 5 CGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@H](CF)C3)c2c1 ZINC000882804153 636426033 /nfs/dbraw/zinc/42/60/33/636426033.db2.gz VECPUHCULOUCRW-LLVKDONJSA-N 1 1 289.310 3.329 20 5 CGBDMO C[C@H](c1ccccc1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885937798 637320673 /nfs/dbraw/zinc/32/06/73/637320673.db2.gz KHKAIWILTCCDMO-GFCCVEGCSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@H](c1ccccc1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885937798 637320681 /nfs/dbraw/zinc/32/06/81/637320681.db2.gz KHKAIWILTCCDMO-GFCCVEGCSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@@H](c1ccccc1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885937799 637321349 /nfs/dbraw/zinc/32/13/49/637321349.db2.gz KHKAIWILTCCDMO-LBPRGKRZSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885937799 637321354 /nfs/dbraw/zinc/32/13/54/637321354.db2.gz KHKAIWILTCCDMO-LBPRGKRZSA-N 1 1 271.320 3.183 20 5 CGBDMO CC[C@]1(C)CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886026371 637372137 /nfs/dbraw/zinc/37/21/37/637372137.db2.gz VDGCCUMUOUTKLS-CQSZACIVSA-N 1 1 263.341 3.002 20 5 CGBDMO CC(C)C[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886075071 637400877 /nfs/dbraw/zinc/40/08/77/637400877.db2.gz BUEUZWZUYANXCB-CQSZACIVSA-N 1 1 277.368 3.390 20 5 CGBDMO Cc1ccc(C)c(C[N@H+](C)Cc2cccnc2[N+](=O)[O-])c1 ZINC000886172226 637447583 /nfs/dbraw/zinc/44/75/83/637447583.db2.gz YTPMJLGOKYZZEB-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO Cc1ccc(C)c(C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])c1 ZINC000886172226 637447586 /nfs/dbraw/zinc/44/75/86/637447586.db2.gz YTPMJLGOKYZZEB-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000886183843 637451596 /nfs/dbraw/zinc/45/15/96/637451596.db2.gz OEXLCVIKXUOGJY-LBPRGKRZSA-N 1 1 263.341 3.000 20 5 CGBDMO C/C=C/C[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886303742 637490964 /nfs/dbraw/zinc/49/09/64/637490964.db2.gz FETATENZKSBBTM-YWVDXFKGSA-N 1 1 275.352 3.168 20 5 CGBDMO CCC1(CC)CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886315268 637496819 /nfs/dbraw/zinc/49/68/19/637496819.db2.gz DACPIZLKBBQIIM-UHFFFAOYSA-N 1 1 263.341 3.144 20 5 CGBDMO C[C@@H]1CSCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000934296628 639572862 /nfs/dbraw/zinc/57/28/62/639572862.db2.gz MJZFVMPAQWLSAO-SNVBAGLBSA-N 1 1 284.356 3.061 20 5 CGBDMO CC[C@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000042095341 639910735 /nfs/dbraw/zinc/91/07/35/639910735.db2.gz VKZXEESICHKCMN-LBPRGKRZSA-N 1 1 288.351 3.024 20 5 CGBDMO C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774141 640801965 /nfs/dbraw/zinc/80/19/65/640801965.db2.gz CCMMYSULSNVPFM-JTQLQIEISA-N 1 1 252.289 3.108 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000094774750 640802527 /nfs/dbraw/zinc/80/25/27/640802527.db2.gz FMXSAAWLYDWYAL-GHMZBOCLSA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774840 640802841 /nfs/dbraw/zinc/80/28/41/640802841.db2.gz XJGJWMCWNDGSFS-NSHDSACASA-N 1 1 266.316 3.356 20 5 CGBDMO CO[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1C ZINC000251880827 640834997 /nfs/dbraw/zinc/83/49/97/640834997.db2.gz PRFQERPSQYLEMT-QMTHXVAHSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1C ZINC000251880827 640835000 /nfs/dbraw/zinc/83/50/00/640835000.db2.gz PRFQERPSQYLEMT-QMTHXVAHSA-N 1 1 298.770 3.105 20 5 CGBDMO CC[C@H](C)[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254474696 806413054 /nfs/dbraw/zinc/41/30/54/806413054.db2.gz SWDMXWIWLHXXLF-ZDUSSCGKSA-N 1 1 291.395 3.294 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](F)CC1 ZINC001254551450 806447422 /nfs/dbraw/zinc/44/74/22/806447422.db2.gz BENZMLRVKYYNAN-OCCSQVGLSA-N 1 1 280.343 3.350 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC1(C)C ZINC001254550712 806447528 /nfs/dbraw/zinc/44/75/28/806447528.db2.gz PJWFWJSCURTHRA-GFCCVEGCSA-N 1 1 262.353 3.400 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC(F)(F)C1 ZINC001254550842 806448132 /nfs/dbraw/zinc/44/81/32/806448132.db2.gz SBQFTVVTSWZCKN-JTQLQIEISA-N 1 1 284.306 3.255 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCn2cccc2[C@H]1C ZINC001254560488 806451115 /nfs/dbraw/zinc/45/11/15/806451115.db2.gz UCXYPJACBUPRQN-UONOGXRCSA-N 1 1 299.374 3.404 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCn2cccc2[C@H]1C ZINC001254560488 806451122 /nfs/dbraw/zinc/45/11/22/806451122.db2.gz UCXYPJACBUPRQN-UONOGXRCSA-N 1 1 299.374 3.404 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CCCC1 ZINC001254560982 806451401 /nfs/dbraw/zinc/45/14/01/806451401.db2.gz CQHSMMCRWPZEGK-GFCCVEGCSA-N 1 1 262.353 3.400 20 5 CGBDMO CC[C@H]1C[N@@H+](C)CCCN1c1ccc([N+](=O)[O-])cc1Cl ZINC001163606364 806791455 /nfs/dbraw/zinc/79/14/55/806791455.db2.gz XZSIFEFAEWWCTG-NSHDSACASA-N 1 1 297.786 3.169 20 5 CGBDMO C[C@@H]1C[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000721454818 800289775 /nfs/dbraw/zinc/28/97/75/800289775.db2.gz KIJDECRCUHPWKM-ZYHUDNBSSA-N 1 1 298.770 3.248 20 5 CGBDMO Cc1ncc([N+](=O)[O-])cc1Nc1ccc2c(c1)C[N@@H+](C)CC2 ZINC001249559375 805176210 /nfs/dbraw/zinc/17/62/10/805176210.db2.gz PNPWFYUVLWXKTK-UHFFFAOYSA-N 1 1 298.346 3.030 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2c2cccc(F)c2)C1 ZINC001169034195 807556056 /nfs/dbraw/zinc/55/60/56/807556056.db2.gz FWTMBBXHSVRGKP-WQVCFCJDSA-N 1 1 292.354 3.408 20 5 CGBDMO C[N@@H+](Cc1cccc2cccnc21)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036493 807556131 /nfs/dbraw/zinc/55/61/31/807556131.db2.gz OTDWFTBCQFJDDF-CZUORRHYSA-N 1 1 299.374 3.112 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCC[C@H](c3ccccc3)C2)C1 ZINC001169039825 807557844 /nfs/dbraw/zinc/55/78/44/807557844.db2.gz UJMBSZGOSGSCQA-XIRDDKMYSA-N 1 1 288.391 3.311 20 5 CGBDMO C[C@H]1c2ccccc2CC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169056802 807562281 /nfs/dbraw/zinc/56/22/81/807562281.db2.gz SUAPLHGCYNDSJJ-GZBFAFLISA-N 1 1 274.364 3.051 20 5 CGBDMO COc1ccc(C[C@H](C)[N@@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC001170348187 807827585 /nfs/dbraw/zinc/82/75/85/807827585.db2.gz VPOLKIPEIDJLCC-LBPRGKRZSA-N 1 1 292.379 3.409 20 5 CGBDMO CCC1(CC)CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001171954815 808159071 /nfs/dbraw/zinc/15/90/71/808159071.db2.gz QWPHJOLXZDJKLI-UHFFFAOYSA-N 1 1 294.399 3.002 20 5 CGBDMO CC(C)[N@@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907917 808475731 /nfs/dbraw/zinc/47/57/31/808475731.db2.gz JQNVILZXDAWRBY-CQSZACIVSA-N 1 1 262.353 3.182 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@@H]1CF)CC2 ZINC001172913801 808477933 /nfs/dbraw/zinc/47/79/33/808477933.db2.gz VDFMTIADPUVOGI-GOEBONIOSA-N 1 1 292.354 3.276 20 5 CGBDMO CC[C@H](C)[N@@H+](C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184072 808533656 /nfs/dbraw/zinc/53/36/56/808533656.db2.gz CQOQMIYPJSXDFG-QWRGUYRKSA-N 1 1 298.358 3.404 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C)C1 ZINC001173229955 808542728 /nfs/dbraw/zinc/54/27/28/808542728.db2.gz WMJDMQWXWMTKNY-QWHCGFSZSA-N 1 1 262.353 3.258 20 5 CGBDMO Cc1cc[nH+]c(C)c1Nc1cc([N+](=O)[O-])ccc1F ZINC001175735788 809523728 /nfs/dbraw/zinc/52/37/28/809523728.db2.gz LQUHPYHNYTVPDO-UHFFFAOYSA-N 1 1 261.256 3.489 20 5 CGBDMO COc1ccc(Nc2[nH+]c3ccccc3n2C)cc1[N+](=O)[O-] ZINC001176359439 809675921 /nfs/dbraw/zinc/67/59/21/809675921.db2.gz GWPPJXROGDWJOZ-UHFFFAOYSA-N 1 1 298.302 3.234 20 5 CGBDMO Cc1cc(C)c(CN2CCc3c2cccc3[N+](=O)[O-])c(C)[nH+]1 ZINC001192964356 810836704 /nfs/dbraw/zinc/83/67/04/810836704.db2.gz KUCMXEHEGNVRFL-UHFFFAOYSA-N 1 1 297.358 3.478 20 5 CGBDMO CNc1ccccc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001205504245 812992646 /nfs/dbraw/zinc/99/26/46/812992646.db2.gz XGTOPXUCFGRQLY-UHFFFAOYSA-N 1 1 299.374 3.311 20 5 CGBDMO C[C@H](O[C@@H]1CCC[N@@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001224027780 816723936 /nfs/dbraw/zinc/72/39/36/816723936.db2.gz XXYLRFGORIBMCF-SWLSCSKDSA-N 1 1 278.352 3.157 20 5 CGBDMO CC(C)[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001226810762 817472469 /nfs/dbraw/zinc/47/24/69/817472469.db2.gz SGBGOVVNEYBLJA-NSHDSACASA-N 1 1 284.743 3.110 20 5 CGBDMO CC[N@H+]1CC[C@@H](Oc2c3ccccc3ccc2[N+](=O)[O-])C1 ZINC001227213876 817594316 /nfs/dbraw/zinc/59/43/16/817594316.db2.gz CXYFDVXLACYKQK-CYBMUJFWSA-N 1 1 286.331 3.221 20 5 CGBDMO COC[C@@H]1CC[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232225281 818284964 /nfs/dbraw/zinc/28/49/64/818284964.db2.gz ABYIIGTYKZPXDO-INIZCTEOSA-N 1 1 293.370 3.004 20 5 CGBDMO Cc1cc(F)c(O[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001234062240 818771160 /nfs/dbraw/zinc/77/11/60/818771160.db2.gz ZDQZIKMTWKRSAC-LBPRGKRZSA-N 1 1 296.342 3.294 20 5 CGBDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001229963650 932511618 /nfs/dbraw/zinc/51/16/18/932511618.db2.gz KZWSZYCXXJUZGA-LBPRGKRZSA-N 1 1 298.770 3.500 20 5 CGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001229963649 932511648 /nfs/dbraw/zinc/51/16/48/932511648.db2.gz KZWSZYCXXJUZGA-GFCCVEGCSA-N 1 1 298.770 3.500 20 5 CGBDMO CC[N@H+]1CC[C@@H](Oc2ccc3ccccc3c2[N+](=O)[O-])C1 ZINC001230622075 932599613 /nfs/dbraw/zinc/59/96/13/932599613.db2.gz GPDDNSOVAGXXBD-CYBMUJFWSA-N 1 1 286.331 3.221 20 5 CGBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC001307962169 933027443 /nfs/dbraw/zinc/02/74/43/933027443.db2.gz KFBGGXHEVKBCGH-JTQLQIEISA-N 1 1 266.316 3.212 20 5 CGBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC001307962169 933027446 /nfs/dbraw/zinc/02/74/46/933027446.db2.gz KFBGGXHEVKBCGH-JTQLQIEISA-N 1 1 266.316 3.212 20 5 CGBDMO CCC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC001308137502 933055000 /nfs/dbraw/zinc/05/50/00/933055000.db2.gz XKHXMAGSXOMMCC-CYBMUJFWSA-N 1 1 266.316 3.498 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@]1(C)CCCCO1 ZINC001308711756 933162913 /nfs/dbraw/zinc/16/29/13/933162913.db2.gz HALHHWZISKYCRQ-MRXNPFEDSA-N 1 1 292.379 3.028 20 5 CGBDMO CC(C)(C)OCCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001319139760 933831910 /nfs/dbraw/zinc/83/19/10/933831910.db2.gz YHQDTWPMDRNUED-UHFFFAOYSA-N 1 1 292.379 3.158 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCC(F)(F)C1)C2 ZINC001331756064 935407937 /nfs/dbraw/zinc/40/79/37/935407937.db2.gz DXBSSGHTCAJHPT-SNVBAGLBSA-N 1 1 282.290 3.346 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCC(F)(F)C1)C2 ZINC001331756064 935407941 /nfs/dbraw/zinc/40/79/41/935407941.db2.gz DXBSSGHTCAJHPT-SNVBAGLBSA-N 1 1 282.290 3.346 20 5 CGBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC001473897972 937828535 /nfs/dbraw/zinc/82/85/35/937828535.db2.gz UHGRTJARWCACEN-HNNXBMFYSA-N 1 1 292.379 3.232 20 5 CGBDMO CCC[C@H](C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)OC ZINC001474319775 937851466 /nfs/dbraw/zinc/85/14/66/937851466.db2.gz SHRQFMXPFIGUJB-MRXNPFEDSA-N 1 1 292.379 3.374 20 5 CGBDMO CC1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C1CC1 ZINC001474562753 937867080 /nfs/dbraw/zinc/86/70/80/937867080.db2.gz ZLQYBBYFAUVJCB-OAHLLOKOSA-N 1 1 274.364 3.258 20 5 CGBDMO C[N@H+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CCC1(C)C ZINC001559249022 938223554 /nfs/dbraw/zinc/22/35/54/938223554.db2.gz UPHOPCLPFHZAHH-UHFFFAOYSA-N 1 1 297.786 3.169 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)c1 ZINC001560224387 938247864 /nfs/dbraw/zinc/24/78/64/938247864.db2.gz WGDPKHMSUIPTGR-HOTGVXAUSA-N 1 1 290.363 3.128 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CCCO2)c1 ZINC001560224389 938247889 /nfs/dbraw/zinc/24/78/89/938247889.db2.gz WGDPKHMSUIPTGR-JKSUJKDBSA-N 1 1 290.363 3.128 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)CCO1 ZINC001560232145 938248272 /nfs/dbraw/zinc/24/82/72/938248272.db2.gz MUACVCWHJWFCLL-GHMZBOCLSA-N 1 1 298.770 3.248 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)CCO1 ZINC001560232145 938248273 /nfs/dbraw/zinc/24/82/73/938248273.db2.gz MUACVCWHJWFCLL-GHMZBOCLSA-N 1 1 298.770 3.248 20 5 CGBDMO CC[C@H](C)[C@H](C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)OC ZINC001560696873 938270497 /nfs/dbraw/zinc/27/04/97/938270497.db2.gz GAGXZIOVBSSWJL-LRDDRELGSA-N 1 1 292.379 3.014 20 5 CGBDMO CC[N@H+](CCSC)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000592205285 346973010 /nfs/dbraw/zinc/97/30/10/346973010.db2.gz YNSQWHHPUVDZTG-UHFFFAOYSA-N 1 1 288.800 3.433 20 5 CGBDMO CC[N@@H+](CCSC)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000592205285 346973011 /nfs/dbraw/zinc/97/30/11/346973011.db2.gz YNSQWHHPUVDZTG-UHFFFAOYSA-N 1 1 288.800 3.433 20 5 CGBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000176980329 530022921 /nfs/dbraw/zinc/02/29/21/530022921.db2.gz WSPUIYCPBASXJK-UHFFFAOYSA-N 1 1 297.314 3.368 20 5 CGBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000176980329 530022922 /nfs/dbraw/zinc/02/29/22/530022922.db2.gz WSPUIYCPBASXJK-UHFFFAOYSA-N 1 1 297.314 3.368 20 5 CGBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000047264495 345050129 /nfs/dbraw/zinc/05/01/29/345050129.db2.gz FSGZGJDRQZDECA-UHFFFAOYSA-N 1 1 254.355 3.421 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000046058605 345033953 /nfs/dbraw/zinc/03/39/53/345033953.db2.gz CBFBSWUCBGJHNL-LBPRGKRZSA-N 1 1 266.341 3.094 20 5 CGBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000064029796 345256264 /nfs/dbraw/zinc/25/62/64/345256264.db2.gz CHAMSXYUOYBPNO-UHFFFAOYSA-N 1 1 291.376 3.200 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C)C1 ZINC000083207675 345725058 /nfs/dbraw/zinc/72/50/58/345725058.db2.gz YASSNVFUWJPJNY-GHMZBOCLSA-N 1 1 289.335 3.356 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000091479557 345815751 /nfs/dbraw/zinc/81/57/51/345815751.db2.gz KBNWNYYCEXGNJC-GFCCVEGCSA-N 1 1 286.335 3.010 20 5 CGBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000092656933 345849916 /nfs/dbraw/zinc/84/99/16/345849916.db2.gz HTBSOVYVXRWFCD-UKRRQHHQSA-N 1 1 291.395 3.070 20 5 CGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+](C1CC1)C1CCCC1 ZINC000103466026 345921776 /nfs/dbraw/zinc/92/17/76/345921776.db2.gz GYHRKDKDPAAFBY-UHFFFAOYSA-N 1 1 290.363 3.381 20 5 CGBDMO COc1cc(C[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000117831392 345986193 /nfs/dbraw/zinc/98/61/93/345986193.db2.gz NXGILOBXMSIPKO-UHFFFAOYSA-N 1 1 286.331 3.235 20 5 CGBDMO C[N@@H+](CCC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000142145906 346110614 /nfs/dbraw/zinc/11/06/14/346110614.db2.gz YWWKDQQQNAEHAY-UHFFFAOYSA-N 1 1 250.342 3.463 20 5 CGBDMO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000172021697 346213989 /nfs/dbraw/zinc/21/39/89/346213989.db2.gz ODDIMDZSVDXIJV-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO Cc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])sn1 ZINC000404412345 346599790 /nfs/dbraw/zinc/59/97/90/346599790.db2.gz YOTBBRFLWHZESM-SNVBAGLBSA-N 1 1 277.349 3.211 20 5 CGBDMO CCC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C(C)C ZINC000594020151 347138184 /nfs/dbraw/zinc/13/81/84/347138184.db2.gz CHAZUCVHAFWFOK-UHFFFAOYSA-N 1 1 294.351 3.002 20 5 CGBDMO CC(C)c1ccc(C[N@H+](C[C@@H](C)O)C2CC2)cc1[N+](=O)[O-] ZINC000594614363 347203507 /nfs/dbraw/zinc/20/35/07/347203507.db2.gz GBKNGHWWHLEROL-GFCCVEGCSA-N 1 1 292.379 3.063 20 5 CGBDMO CCC[N@@H+]1CC[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000595096819 347282735 /nfs/dbraw/zinc/28/27/35/347282735.db2.gz MLILFRNFSCCVBJ-UONOGXRCSA-N 1 1 291.395 3.038 20 5 CGBDMO CCC[N@H+]1CC[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000595096819 347282739 /nfs/dbraw/zinc/28/27/39/347282739.db2.gz MLILFRNFSCCVBJ-UONOGXRCSA-N 1 1 291.395 3.038 20 5 CGBDMO CC[C@@H](C)[N@@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595598519 347323556 /nfs/dbraw/zinc/32/35/56/347323556.db2.gz FTMDHGAJGWNCOE-SNVBAGLBSA-N 1 1 276.340 3.092 20 5 CGBDMO CC[C@H](C)[N@@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595598518 347323643 /nfs/dbraw/zinc/32/36/43/347323643.db2.gz FTMDHGAJGWNCOE-JTQLQIEISA-N 1 1 276.340 3.092 20 5 CGBDMO CC[C@@H](C)[N@@H+](CC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000595601579 347324093 /nfs/dbraw/zinc/32/40/93/347324093.db2.gz SNNDUEUMMGRORC-LLVKDONJSA-N 1 1 294.351 3.002 20 5 CGBDMO CCOC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595543209 347317579 /nfs/dbraw/zinc/31/75/79/347317579.db2.gz ZXQDQXMNZCOLOV-CQSZACIVSA-N 1 1 296.342 3.125 20 5 CGBDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595543209 347317582 /nfs/dbraw/zinc/31/75/82/347317582.db2.gz ZXQDQXMNZCOLOV-CQSZACIVSA-N 1 1 296.342 3.125 20 5 CGBDMO CC(C)[N@H+]1CCCC[C@H]1COc1ccccc1[N+](=O)[O-] ZINC000596239178 347402176 /nfs/dbraw/zinc/40/21/76/347402176.db2.gz PCICZOFORBYKBT-ZDUSSCGKSA-N 1 1 278.352 3.237 20 5 CGBDMO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])s1 ZINC000596257061 347406050 /nfs/dbraw/zinc/40/60/50/347406050.db2.gz KBPAMPFMHVUMFN-FGWVZKOKSA-N 1 1 281.381 3.002 20 5 CGBDMO Cc1cc(N[C@@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596335108 347421627 /nfs/dbraw/zinc/42/16/27/347421627.db2.gz DXTUQRMDQWPFHN-CYBMUJFWSA-N 1 1 277.368 3.188 20 5 CGBDMO O=[N+]([O-])c1ccccc1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596570039 347481028 /nfs/dbraw/zinc/48/10/28/347481028.db2.gz HNYIJTNUTQYLFQ-AWEZNQCLSA-N 1 1 289.379 3.129 20 5 CGBDMO CC(C)[C@@H](C)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351863091 219229569 /nfs/dbraw/zinc/22/95/69/219229569.db2.gz VUZAUSUZGNTOCS-SECBINFHSA-N 1 1 272.295 3.349 20 5 CGBDMO CC(C)[C@@H](C)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351863091 219229571 /nfs/dbraw/zinc/22/95/71/219229571.db2.gz VUZAUSUZGNTOCS-SECBINFHSA-N 1 1 272.295 3.349 20 5 CGBDMO Cc1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC000601080201 347865024 /nfs/dbraw/zinc/86/50/24/347865024.db2.gz NVEYIGBMSFOODI-UHFFFAOYSA-N 1 1 265.700 3.110 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCC[C@@H]2CCO2)C2CC2)cc1 ZINC000602438229 347958016 /nfs/dbraw/zinc/95/80/16/347958016.db2.gz CKHGSHCALCOOPY-MRXNPFEDSA-N 1 1 290.363 3.128 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCC[C@H]1CCO1)C1CC1 ZINC000602441199 347959305 /nfs/dbraw/zinc/95/93/05/347959305.db2.gz VWSASCFTJFPOHC-HNNXBMFYSA-N 1 1 290.363 3.128 20 5 CGBDMO CC(C)CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CCCC1 ZINC000602445079 347959402 /nfs/dbraw/zinc/95/94/02/347959402.db2.gz QEFMNNVEHXXAJV-UHFFFAOYSA-N 1 1 294.399 3.119 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCO[C@H]1C ZINC000602762250 348024495 /nfs/dbraw/zinc/02/44/95/348024495.db2.gz DECIOXOPRDASRL-ZFWWWQNUSA-N 1 1 292.379 3.230 20 5 CGBDMO Cc1noc(C[N@H+](C)C[C@@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC000603053400 348056450 /nfs/dbraw/zinc/05/64/50/348056450.db2.gz BJYSRASDLIYXJT-SECBINFHSA-N 1 1 269.345 3.005 20 5 CGBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(F)F ZINC000603427106 348082047 /nfs/dbraw/zinc/08/20/47/348082047.db2.gz ASJFTYJAMBXXIV-ZJUUUORDSA-N 1 1 272.295 3.159 20 5 CGBDMO Cc1c(C[N@H+](C)[C@H](C)C(C)C)cccc1[N+](=O)[O-] ZINC000603843531 348098267 /nfs/dbraw/zinc/09/82/67/348098267.db2.gz KJYQARMLDRDRTQ-GFCCVEGCSA-N 1 1 250.342 3.380 20 5 CGBDMO Cc1c(C[N@H+]2CCC[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000609133546 348336899 /nfs/dbraw/zinc/33/68/99/348336899.db2.gz FZZBWAXOHHXPDK-OAHLLOKOSA-N 1 1 260.337 3.278 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCOC(C)(C)C1 ZINC000610391298 348381023 /nfs/dbraw/zinc/38/10/23/348381023.db2.gz PPOSTANJMKRCDY-GFCCVEGCSA-N 1 1 278.352 3.157 20 5 CGBDMO C[C@@H]1C[C@@H](C)[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610133372 348364105 /nfs/dbraw/zinc/36/41/05/348364105.db2.gz LHSBMBUISJBAFV-CHWSQXEVSA-N 1 1 278.352 3.094 20 5 CGBDMO CC(C)([NH2+]Cc1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC000610575149 348390296 /nfs/dbraw/zinc/39/02/96/348390296.db2.gz HIXFIJMVNRIEMD-UHFFFAOYSA-N 1 1 277.349 3.076 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611179622 348427144 /nfs/dbraw/zinc/42/71/44/348427144.db2.gz GIEWCXPAIDEEOP-MWLCHTKSSA-N 1 1 270.279 3.243 20 5 CGBDMO Cc1cn2cc(Nc3sccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000611412118 348448726 /nfs/dbraw/zinc/44/87/26/348448726.db2.gz SHSXRKLXWWTHMH-UHFFFAOYSA-N 1 1 274.305 3.356 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C(F)F)C2)c(Cl)c1 ZINC000611795690 348476706 /nfs/dbraw/zinc/47/67/06/348476706.db2.gz CPVGSSQHQOJZSH-SECBINFHSA-N 1 1 290.697 3.335 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C(F)F)C2)c(Cl)c1 ZINC000611795690 348476709 /nfs/dbraw/zinc/47/67/09/348476709.db2.gz CPVGSSQHQOJZSH-SECBINFHSA-N 1 1 290.697 3.335 20 5 CGBDMO COc1ccc(C)[nH+]c1NCc1ccc([N+](=O)[O-])cc1C ZINC000351976668 219272122 /nfs/dbraw/zinc/27/21/22/219272122.db2.gz SRPSYXOVPZKORW-UHFFFAOYSA-N 1 1 287.319 3.227 20 5 CGBDMO Cc1cccc(NCC[NH+]2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000614975834 348704696 /nfs/dbraw/zinc/70/46/96/348704696.db2.gz YEKBTAJQHBEAOZ-UHFFFAOYSA-N 1 1 297.358 3.331 20 5 CGBDMO O=[N+]([O-])c1cc(CNc2ccc(C3CCC3)c[nH+]2)cs1 ZINC000339574061 215251191 /nfs/dbraw/zinc/25/11/91/215251191.db2.gz ZIMBOMKTGLHGRC-UHFFFAOYSA-N 1 1 289.360 3.353 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H]2F)c(Cl)c1 ZINC000339583912 215256940 /nfs/dbraw/zinc/25/69/40/215256940.db2.gz KNXVXJFWAPYRNS-NEPJUHHUSA-N 1 1 272.707 3.228 20 5 CGBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C[N@H+]1C1CC1 ZINC000122263295 187023738 /nfs/dbraw/zinc/02/37/38/187023738.db2.gz IYFAUUMZQMYZDX-NXEZZACHSA-N 1 1 295.770 3.285 20 5 CGBDMO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000271479743 191161489 /nfs/dbraw/zinc/16/14/89/191161489.db2.gz IVKBDTKYDPVKGG-HZMBPMFUSA-N 1 1 286.335 3.046 20 5 CGBDMO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cccc([N+](=O)[O-])c1 ZINC000271479743 191161492 /nfs/dbraw/zinc/16/14/92/191161492.db2.gz IVKBDTKYDPVKGG-HZMBPMFUSA-N 1 1 286.335 3.046 20 5 CGBDMO CSC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000292380550 198266406 /nfs/dbraw/zinc/26/64/06/198266406.db2.gz JOEGUXLOVASGES-NSHDSACASA-N 1 1 298.383 3.309 20 5 CGBDMO CCc1noc(C)c1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000271685379 191276348 /nfs/dbraw/zinc/27/63/48/191276348.db2.gz QEDODLHSAYOCGB-SNVBAGLBSA-N 1 1 289.335 3.304 20 5 CGBDMO C[C@@H](NCC[C@@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000271726168 191293837 /nfs/dbraw/zinc/29/38/37/191293837.db2.gz YTIHPTXLKGINAG-HIFRSBDPSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000412050381 235117435 /nfs/dbraw/zinc/11/74/35/235117435.db2.gz YHRNZSHTDHKMLK-VIFPVBQESA-N 1 1 254.355 3.277 20 5 CGBDMO CCn1cc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000271855654 191370804 /nfs/dbraw/zinc/37/08/04/191370804.db2.gz YIANERYNBAYYGO-NWDGAFQWSA-N 1 1 288.351 3.223 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@H]2F)c(F)c1 ZINC000414511126 235423197 /nfs/dbraw/zinc/42/31/97/235423197.db2.gz JWZSADQGRJCDJO-DGCLKSJQSA-N 1 1 270.279 3.104 20 5 CGBDMO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000106866656 138356117 /nfs/dbraw/zinc/35/61/17/138356117.db2.gz QEAABZCAYONXPU-MRXNPFEDSA-N 1 1 292.379 3.376 20 5 CGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H]3CCC[C@H]32)cc1 ZINC000426475302 236297551 /nfs/dbraw/zinc/29/75/51/236297551.db2.gz XVOKPRMQMJNIMA-XJKSGUPXSA-N 1 1 290.363 3.238 20 5 CGBDMO COC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000181644580 189303520 /nfs/dbraw/zinc/30/35/20/189303520.db2.gz HEOCCYLKCZHYEU-OAHLLOKOSA-N 1 1 286.331 3.072 20 5 CGBDMO CC(C)C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000301607084 201093373 /nfs/dbraw/zinc/09/33/73/201093373.db2.gz NMWPCIJSXKNCRJ-GFCCVEGCSA-N 1 1 295.358 3.124 20 5 CGBDMO CC(C)C[N@H+]1CCC[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000301787800 201197480 /nfs/dbraw/zinc/19/74/80/201197480.db2.gz PONFNDPJBCUQIK-CQSZACIVSA-N 1 1 291.395 3.375 20 5 CGBDMO C[N@H+]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000301826159 201219608 /nfs/dbraw/zinc/21/96/08/201219608.db2.gz FAMGAPPXJRHFPW-WBVHZDCISA-N 1 1 297.358 3.452 20 5 CGBDMO Cc1ccc(NC[C@@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000301807672 201209845 /nfs/dbraw/zinc/20/98/45/201209845.db2.gz FVSNHPNHOHGAAA-AWEZNQCLSA-N 1 1 291.395 3.436 20 5 CGBDMO Cc1cc(N(C)CC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000463072854 242384626 /nfs/dbraw/zinc/38/46/26/242384626.db2.gz WXNQVXWCMKJTTR-AWEZNQCLSA-N 1 1 291.395 3.214 20 5 CGBDMO CC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC1CC1 ZINC000493241732 244124331 /nfs/dbraw/zinc/12/43/31/244124331.db2.gz ZNWFAMDKDSTMNH-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO CC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC1CC1 ZINC000493241732 244124334 /nfs/dbraw/zinc/12/43/34/244124334.db2.gz ZNWFAMDKDSTMNH-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO CCC[N@H+](CC)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493891132 244251992 /nfs/dbraw/zinc/25/19/92/244251992.db2.gz KJGQQMNUBLAHNW-UHFFFAOYSA-N 1 1 256.733 3.480 20 5 CGBDMO CCC[N@@H+](CC)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493891132 244251997 /nfs/dbraw/zinc/25/19/97/244251997.db2.gz KJGQQMNUBLAHNW-UHFFFAOYSA-N 1 1 256.733 3.480 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051124652 369446825 /nfs/dbraw/zinc/44/68/25/369446825.db2.gz BFMMSSCCQLNYAJ-ZDUSSCGKSA-N 1 1 278.352 3.368 20 5 CGBDMO CC(C)COC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054328605 369501483 /nfs/dbraw/zinc/50/14/83/369501483.db2.gz MXDKXGYYEWRYEW-UHFFFAOYSA-N 1 1 298.408 3.293 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3ccsc3C2)cc1 ZINC000060193950 369584619 /nfs/dbraw/zinc/58/46/19/369584619.db2.gz HSPQRDPQEBAFCD-UHFFFAOYSA-N 1 1 274.345 3.215 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ccsc3C2)cc1 ZINC000060193950 369584622 /nfs/dbraw/zinc/58/46/22/369584622.db2.gz HSPQRDPQEBAFCD-UHFFFAOYSA-N 1 1 274.345 3.215 20 5 CGBDMO CSC[C@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093760773 370156631 /nfs/dbraw/zinc/15/66/31/370156631.db2.gz RPXWLXADMUMERW-BTKRWWFXSA-N 1 1 292.404 3.435 20 5 CGBDMO CS[C@H]1CCCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000134552735 371348791 /nfs/dbraw/zinc/34/87/91/371348791.db2.gz VZNHEPPPEMGWFZ-ZDUSSCGKSA-N 1 1 280.393 3.312 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncc[nH]2)cc1[N+](=O)[O-] ZINC000139028864 371506698 /nfs/dbraw/zinc/50/66/98/371506698.db2.gz GNDLIFBAONYGRM-MNOVXSKESA-N 1 1 274.324 3.038 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCc1ccccc1)C2 ZINC000153145462 371753046 /nfs/dbraw/zinc/75/30/46/371753046.db2.gz IBCPKCISRYGUJG-UHFFFAOYSA-N 1 1 282.343 3.196 20 5 CGBDMO CC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290018288 371877848 /nfs/dbraw/zinc/87/78/48/371877848.db2.gz PEALSOGIUXOKSF-UHFFFAOYSA-N 1 1 263.124 3.353 20 5 CGBDMO CC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290018288 371877853 /nfs/dbraw/zinc/87/78/53/371877853.db2.gz PEALSOGIUXOKSF-UHFFFAOYSA-N 1 1 263.124 3.353 20 5 CGBDMO Cc1ccc(C[N@H+]2CCC[C@@]2(C)CCCO)cc1[N+](=O)[O-] ZINC000290300077 371957811 /nfs/dbraw/zinc/95/78/11/371957811.db2.gz BDTAARRDWKRIDK-INIZCTEOSA-N 1 1 292.379 3.030 20 5 CGBDMO CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000156570311 371984735 /nfs/dbraw/zinc/98/47/35/371984735.db2.gz RWIGLZIHKDWHAL-DZGCQCFKSA-N 1 1 291.395 3.038 20 5 CGBDMO CC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000156570311 371984741 /nfs/dbraw/zinc/98/47/41/371984741.db2.gz RWIGLZIHKDWHAL-DZGCQCFKSA-N 1 1 291.395 3.038 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159631411 372163397 /nfs/dbraw/zinc/16/33/97/372163397.db2.gz IHSGSJLTZYCACR-JSGCOSHPSA-N 1 1 260.337 3.359 20 5 CGBDMO CCN1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000159292017 372127215 /nfs/dbraw/zinc/12/72/15/372127215.db2.gz UDMHKMJYQNYOTA-CYBMUJFWSA-N 1 1 291.395 3.038 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000430200139 372386122 /nfs/dbraw/zinc/38/61/22/372386122.db2.gz FWOFVBJCZACDQF-LLVKDONJSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C ZINC000293478970 372392305 /nfs/dbraw/zinc/39/23/05/372392305.db2.gz RRHRYGJWMFDKGC-GHMZBOCLSA-N 1 1 287.319 3.090 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C ZINC000293478970 372392308 /nfs/dbraw/zinc/39/23/08/372392308.db2.gz RRHRYGJWMFDKGC-GHMZBOCLSA-N 1 1 287.319 3.090 20 5 CGBDMO C[N@H+](Cc1ccc2c(c1)CCO2)Cc1ccccc1[N+](=O)[O-] ZINC000171916589 372852218 /nfs/dbraw/zinc/85/22/18/372852218.db2.gz LBAATGPGQKPVEX-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO C[N@@H+](Cc1ccc2c(c1)CCO2)Cc1ccccc1[N+](=O)[O-] ZINC000171916589 372852231 /nfs/dbraw/zinc/85/22/31/372852231.db2.gz LBAATGPGQKPVEX-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO CS[C@@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000296052480 373006637 /nfs/dbraw/zinc/00/66/37/373006637.db2.gz AYZNAKCRDUBWFG-DGCLKSJQSA-N 1 1 280.393 3.402 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000441452378 373015539 /nfs/dbraw/zinc/01/55/39/373015539.db2.gz UIOIWDSCRDZFGP-WCFLWFBJSA-N 1 1 260.337 3.244 20 5 CGBDMO CCC[C@]1(COC)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000447057713 373396159 /nfs/dbraw/zinc/39/61/59/373396159.db2.gz DUSPYFZIOLGMET-MRXNPFEDSA-N 1 1 292.379 3.376 20 5 CGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000301123417 373670181 /nfs/dbraw/zinc/67/01/81/373670181.db2.gz ZQWJBYDGPIZFEK-OLZOCXBDSA-N 1 1 277.368 3.127 20 5 CGBDMO COc1cc(F)cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000312495514 374280352 /nfs/dbraw/zinc/28/03/52/374280352.db2.gz DWMGZRSUIPNKPV-UHFFFAOYSA-N 1 1 290.294 3.032 20 5 CGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331417990 374531365 /nfs/dbraw/zinc/53/13/65/374531365.db2.gz DKHUMSJWEHGHTP-IINYFYTJSA-N 1 1 288.351 3.092 20 5 CGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331467491 374534933 /nfs/dbraw/zinc/53/49/33/374534933.db2.gz KBKILMDFQBTVHA-GHMZBOCLSA-N 1 1 288.351 3.234 20 5 CGBDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000336812201 375964960 /nfs/dbraw/zinc/96/49/60/375964960.db2.gz QMPRFXAYVANWHM-GHMZBOCLSA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000536655823 376111499 /nfs/dbraw/zinc/11/14/99/376111499.db2.gz HTZOQDJSTJNJFS-BXLSQVKPSA-N 1 1 292.404 3.434 20 5 CGBDMO C[C@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000537257551 376157709 /nfs/dbraw/zinc/15/77/09/376157709.db2.gz UHNKMVXYPQKAGP-NSHDSACASA-N 1 1 296.330 3.322 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000230142517 376486731 /nfs/dbraw/zinc/48/67/31/376486731.db2.gz BINPNMYDNZFSNE-LLVKDONJSA-N 1 1 299.802 3.068 20 5 CGBDMO Cc1cccc(NC[C@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000338708528 376492366 /nfs/dbraw/zinc/49/23/66/376492366.db2.gz IGCAEIXHRDYHKL-CQSZACIVSA-N 1 1 289.379 3.332 20 5 CGBDMO C[C@H](C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000544440353 376737709 /nfs/dbraw/zinc/73/77/09/376737709.db2.gz HOUIBTRAMTUECU-CYBMUJFWSA-N 1 1 297.358 3.152 20 5 CGBDMO CC[N@@H+]1CCCC[C@@H]1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245469609 376824862 /nfs/dbraw/zinc/82/48/62/376824862.db2.gz VIOGIHQMPFVFOD-CZUORRHYSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[N@H+]1CCCC[C@@H]1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245469609 376824872 /nfs/dbraw/zinc/82/48/72/376824872.db2.gz VIOGIHQMPFVFOD-CZUORRHYSA-N 1 1 291.395 3.120 20 5 CGBDMO CC(C)[C@H]1[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000560556573 377171443 /nfs/dbraw/zinc/17/14/43/377171443.db2.gz PBTSMKZXKYAGPL-CQSZACIVSA-N 1 1 262.353 3.461 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000248644661 377373815 /nfs/dbraw/zinc/37/38/15/377373815.db2.gz SBPLQHWBJZXDRS-VXGBXAGGSA-N 1 1 280.393 3.229 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000573718929 377566297 /nfs/dbraw/zinc/56/62/97/377566297.db2.gz KYKYXSRTJRFSPT-CHWSQXEVSA-N 1 1 290.363 3.299 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000573718929 377566306 /nfs/dbraw/zinc/56/63/06/377566306.db2.gz KYKYXSRTJRFSPT-CHWSQXEVSA-N 1 1 290.363 3.299 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000516667171 249241529 /nfs/dbraw/zinc/24/15/29/249241529.db2.gz ZBRWMZKAQOHNSZ-UHFFFAOYSA-N 1 1 288.322 3.408 20 5 CGBDMO CO[C@@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC[C@H]1C ZINC000251899718 377602018 /nfs/dbraw/zinc/60/20/18/377602018.db2.gz QXDVHYSATKFFMI-DVOMOZLQSA-N 1 1 292.379 3.321 20 5 CGBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000266216049 190241051 /nfs/dbraw/zinc/24/10/51/190241051.db2.gz OYCMLANHYCAVTP-AWEZNQCLSA-N 1 1 291.395 3.071 20 5 CGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC3(CCC3)C2)c1 ZINC000348183929 378827852 /nfs/dbraw/zinc/82/78/52/378827852.db2.gz VTEXNPLZIUEJCN-UHFFFAOYSA-N 1 1 290.363 3.240 20 5 CGBDMO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000275920317 378961220 /nfs/dbraw/zinc/96/12/20/378961220.db2.gz VTOOBZVQUBSAAJ-PWSUYJOCSA-N 1 1 286.335 3.105 20 5 CGBDMO Cc1cccc(C[N@@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000347381471 218214264 /nfs/dbraw/zinc/21/42/64/218214264.db2.gz HXVPURGWTCHSTK-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1cccc(C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000347381471 218214266 /nfs/dbraw/zinc/21/42/66/218214266.db2.gz HXVPURGWTCHSTK-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO COc1cc(C[N@H+](C)[C@H](C)c2ccco2)ccc1[N+](=O)[O-] ZINC000352403994 379799479 /nfs/dbraw/zinc/79/94/79/379799479.db2.gz AKPMHLDRZLCEIK-LLVKDONJSA-N 1 1 290.319 3.389 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@H](C)c2ccco2)ccc1[N+](=O)[O-] ZINC000352403994 379799489 /nfs/dbraw/zinc/79/94/89/379799489.db2.gz AKPMHLDRZLCEIK-LLVKDONJSA-N 1 1 290.319 3.389 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000378630971 379850023 /nfs/dbraw/zinc/85/00/23/379850023.db2.gz IXKLCKNIHLHYHM-INIZCTEOSA-N 1 1 297.358 3.054 20 5 CGBDMO CO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000282282036 379888731 /nfs/dbraw/zinc/88/87/31/379888731.db2.gz IHXQRPKGXHRMFN-GWCFXTLKSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000282282036 379888735 /nfs/dbraw/zinc/88/87/35/379888735.db2.gz IHXQRPKGXHRMFN-GWCFXTLKSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000353935313 380244352 /nfs/dbraw/zinc/24/43/52/380244352.db2.gz UJDFXYOPOKQNCK-FZMZJTMJSA-N 1 1 298.408 3.292 20 5 CGBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000353935313 380244355 /nfs/dbraw/zinc/24/43/55/380244355.db2.gz UJDFXYOPOKQNCK-FZMZJTMJSA-N 1 1 298.408 3.292 20 5 CGBDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000353963902 380255689 /nfs/dbraw/zinc/25/56/89/380255689.db2.gz YVKKIKLBBFSMSN-GOEBONIOSA-N 1 1 292.379 3.230 20 5 CGBDMO C[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000357725817 381266265 /nfs/dbraw/zinc/26/62/65/381266265.db2.gz DJUNHYMPEUUDCQ-STQMWFEESA-N 1 1 278.352 3.094 20 5 CGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+](CC1CC1)C1CCC1 ZINC000361577594 381816192 /nfs/dbraw/zinc/81/61/92/381816192.db2.gz LSIAQUBTEZRXOI-UHFFFAOYSA-N 1 1 290.363 3.238 20 5 CGBDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000362442295 381992301 /nfs/dbraw/zinc/99/23/01/381992301.db2.gz WDCXUUOXTCEXAU-WDEREUQCSA-N 1 1 266.316 3.354 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250737184 542344063 /nfs/dbraw/zinc/34/40/63/542344063.db2.gz CFBAGTGYUKNMPZ-NEPJUHHUSA-N 1 1 295.770 3.287 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3occc32)c(F)c1 ZINC000350624511 219038701 /nfs/dbraw/zinc/03/87/01/219038701.db2.gz AUIBTOIRNIFRMF-AWEZNQCLSA-N 1 1 290.294 3.494 20 5 CGBDMO CO[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000281801043 195386888 /nfs/dbraw/zinc/38/68/88/195386888.db2.gz VJHNBEIRAOZRBM-ZYHUDNBSSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000281801043 195386890 /nfs/dbraw/zinc/38/68/90/195386890.db2.gz VJHNBEIRAOZRBM-ZYHUDNBSSA-N 1 1 298.770 3.248 20 5 CGBDMO CCCC[C@H](C)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000289841367 392434396 /nfs/dbraw/zinc/43/43/96/392434396.db2.gz KFVNRLASDIJEKP-SWLSCSKDSA-N 1 1 280.368 3.139 20 5 CGBDMO Cc1cc(N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000505581046 392675945 /nfs/dbraw/zinc/67/59/45/392675945.db2.gz DQJLKSMDZFISQI-JSGCOSHPSA-N 1 1 291.395 3.436 20 5 CGBDMO CCC[N@@H+](CC)CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000221028348 393004163 /nfs/dbraw/zinc/00/41/63/393004163.db2.gz PVUUCMWSRPFKGN-UHFFFAOYSA-N 1 1 265.357 3.047 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C(C)C)C1 ZINC000430213183 393540845 /nfs/dbraw/zinc/54/08/45/393540845.db2.gz RZEPICIETBMIKR-GFCCVEGCSA-N 1 1 278.352 3.081 20 5 CGBDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000429568803 393484824 /nfs/dbraw/zinc/48/48/24/393484824.db2.gz PNVLOTCDSGZINY-ZYHUDNBSSA-N 1 1 266.316 3.354 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC1CCCC1 ZINC000430226763 393543284 /nfs/dbraw/zinc/54/32/84/393543284.db2.gz PLUNSPXYQSUDTI-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000430109912 393524095 /nfs/dbraw/zinc/52/40/95/393524095.db2.gz WJMARJKIWUUNRN-KGLIPLIRSA-N 1 1 296.317 3.380 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000430207475 393539430 /nfs/dbraw/zinc/53/94/30/393539430.db2.gz QQADIXBXXUSHMB-BETUJISGSA-N 1 1 290.363 3.225 20 5 CGBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CC(OC(C)(C)C)C1 ZINC000421014958 393575205 /nfs/dbraw/zinc/57/52/05/393575205.db2.gz SJDHXXMAPICMBW-UHFFFAOYSA-N 1 1 298.408 3.434 20 5 CGBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CC(OC(C)(C)C)C1 ZINC000421014958 393575210 /nfs/dbraw/zinc/57/52/10/393575210.db2.gz SJDHXXMAPICMBW-UHFFFAOYSA-N 1 1 298.408 3.434 20 5 CGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000490013431 393625734 /nfs/dbraw/zinc/62/57/34/393625734.db2.gz MERIIWLTGFBXCO-WCQYABFASA-N 1 1 278.352 3.224 20 5 CGBDMO CCN(CC)C[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000361154855 393687568 /nfs/dbraw/zinc/68/75/68/393687568.db2.gz QZGURYBRNXNAPO-TZMCWYRMSA-N 1 1 293.411 3.284 20 5 CGBDMO CC(C)([NH2+]Cc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000492227177 393705453 /nfs/dbraw/zinc/70/54/53/393705453.db2.gz QLGILLFUPUBPKG-UHFFFAOYSA-N 1 1 260.293 3.213 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000449531999 393885789 /nfs/dbraw/zinc/88/57/89/393885789.db2.gz CPYZUNCAJUOFKD-CVEARBPZSA-N 1 1 272.348 3.215 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCOCC2(CC2)C1 ZINC000408174909 292295890 /nfs/dbraw/zinc/29/58/90/292295890.db2.gz ODNFIPQSOLQXPX-ZDUSSCGKSA-N 1 1 290.363 3.077 20 5 CGBDMO Cc1ccc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000065208697 165032421 /nfs/dbraw/zinc/03/24/21/165032421.db2.gz XTNQJISZGLURAO-UHFFFAOYSA-N 1 1 290.319 3.007 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCc2occc21 ZINC000020204980 171070712 /nfs/dbraw/zinc/07/07/12/171070712.db2.gz DDPDIYFEABDYCK-ZDUSSCGKSA-N 1 1 272.304 3.355 20 5 CGBDMO CC[N@@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000126288727 287261318 /nfs/dbraw/zinc/26/13/18/287261318.db2.gz MOKVFQAUTADXHJ-UHFFFAOYSA-N 1 1 290.319 3.315 20 5 CGBDMO C[N@H+]1CCC[C@@H]1CCSCc1ccc([N+](=O)[O-])cc1 ZINC000126959567 287277595 /nfs/dbraw/zinc/27/75/95/287277595.db2.gz IITMOVFSUJFESM-CYBMUJFWSA-N 1 1 280.393 3.312 20 5 CGBDMO CCN(CC)[C@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000127577061 287291072 /nfs/dbraw/zinc/29/10/72/287291072.db2.gz GFZSQKKANXKTTL-ZIAGYGMSSA-N 1 1 293.411 3.284 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000130964850 287367540 /nfs/dbraw/zinc/36/75/40/287367540.db2.gz XGKLEYHYXGDJPO-CHWSQXEVSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000130964850 287367544 /nfs/dbraw/zinc/36/75/44/287367544.db2.gz XGKLEYHYXGDJPO-CHWSQXEVSA-N 1 1 291.395 3.037 20 5 CGBDMO CC(C)(C)CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000532038555 270213114 /nfs/dbraw/zinc/21/31/14/270213114.db2.gz TUWAWHQZOWZEPX-UHFFFAOYSA-N 1 1 262.353 3.389 20 5 CGBDMO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]2O1 ZINC000440940645 278337164 /nfs/dbraw/zinc/33/71/64/278337164.db2.gz HTTRXKFYEIWUBK-HUUCEWRRSA-N 1 1 290.363 3.127 20 5 CGBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]2O1 ZINC000440940645 278337166 /nfs/dbraw/zinc/33/71/66/278337166.db2.gz HTTRXKFYEIWUBK-HUUCEWRRSA-N 1 1 290.363 3.127 20 5 CGBDMO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000288656646 279068929 /nfs/dbraw/zinc/06/89/29/279068929.db2.gz VMOJVMBOJBJRNX-MEDUHNTESA-N 1 1 284.315 3.207 20 5 CGBDMO CC(C)[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000531527872 288337225 /nfs/dbraw/zinc/33/72/25/288337225.db2.gz XDPSKKMCUNTLAP-LLVKDONJSA-N 1 1 254.355 3.134 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](CC3CC3)C2)c(F)c1 ZINC000550405552 289075862 /nfs/dbraw/zinc/07/58/62/289075862.db2.gz SSQAOSLOAZEYOB-LLVKDONJSA-N 1 1 296.317 3.495 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](CC3CC3)C2)c(F)c1 ZINC000550405552 289075865 /nfs/dbraw/zinc/07/58/65/289075865.db2.gz SSQAOSLOAZEYOB-LLVKDONJSA-N 1 1 296.317 3.495 20 5 CGBDMO CO[C@H]1C[C@@H]([N@@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000554872829 289315956 /nfs/dbraw/zinc/31/59/56/289315956.db2.gz CAAUQCXRNIOJOU-ZFSVZOPNSA-N 1 1 290.363 3.107 20 5 CGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1cccc(OC)c1[N+](=O)[O-] ZINC000566877721 322141731 /nfs/dbraw/zinc/14/17/31/322141731.db2.gz XRJXKISMJQCQSM-LBPRGKRZSA-N 1 1 295.383 3.136 20 5 CGBDMO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000569655204 322253089 /nfs/dbraw/zinc/25/30/89/322253089.db2.gz LAVLWWABRBVPOD-NSHDSACASA-N 1 1 284.306 3.380 20 5 CGBDMO Cc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000569655204 322253091 /nfs/dbraw/zinc/25/30/91/322253091.db2.gz LAVLWWABRBVPOD-NSHDSACASA-N 1 1 284.306 3.380 20 5 CGBDMO CC(C)[C@@H]1[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000570950859 322286159 /nfs/dbraw/zinc/28/61/59/322286159.db2.gz JTKNHUVYEVNYOE-AWEZNQCLSA-N 1 1 262.353 3.461 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@H]1C ZINC000571947145 322313166 /nfs/dbraw/zinc/31/31/66/322313166.db2.gz QCCPDKDPAMVLBV-TZMCWYRMSA-N 1 1 262.353 3.461 20 5 CGBDMO Cc1cc[nH+]c(N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000182638768 335832924 /nfs/dbraw/zinc/83/29/24/335832924.db2.gz HJLMZKVIWGQVFD-LLVKDONJSA-N 1 1 257.293 3.471 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000194271840 336011359 /nfs/dbraw/zinc/01/13/59/336011359.db2.gz RKEVIVHSODZUCP-NSHDSACASA-N 1 1 288.269 3.369 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000194271840 336011360 /nfs/dbraw/zinc/01/13/60/336011360.db2.gz RKEVIVHSODZUCP-NSHDSACASA-N 1 1 288.269 3.369 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@H]2C2CC2)c([N+](=O)[O-])cc1F ZINC000372063537 533808851 /nfs/dbraw/zinc/80/88/51/533808851.db2.gz SEUMEIIGOLHYQC-ZDUSSCGKSA-N 1 1 294.326 3.117 20 5 CGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000357775376 527992594 /nfs/dbraw/zinc/99/25/94/527992594.db2.gz PFJHZBCUYUMURP-CYBMUJFWSA-N 1 1 294.399 3.139 20 5 CGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000357775377 528000463 /nfs/dbraw/zinc/00/04/63/528000463.db2.gz PFJHZBCUYUMURP-ZDUSSCGKSA-N 1 1 294.399 3.139 20 5 CGBDMO CCCC[C@@H](CN)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423294698 528822152 /nfs/dbraw/zinc/82/21/52/528822152.db2.gz CSTDHIVGUAZQHD-STQMWFEESA-N 1 1 279.384 3.071 20 5 CGBDMO CCO[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000451523488 535633120 /nfs/dbraw/zinc/63/31/20/535633120.db2.gz JOEIFRJZTQVRLJ-LRDDRELGSA-N 1 1 292.379 3.150 20 5 CGBDMO C[C@@H]1c2ccccc2C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750072670 573079064 /nfs/dbraw/zinc/07/90/64/573079064.db2.gz PWBAGJLSGFHAFB-SJKOYZFVSA-N 1 1 298.342 3.205 20 5 CGBDMO Cc1ncsc1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892920800 618953330 /nfs/dbraw/zinc/95/33/30/618953330.db2.gz KWMPTUPUDRMUOO-UHFFFAOYSA-N 1 1 297.767 3.303 20 5 CGBDMO CSC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000178565638 619291196 /nfs/dbraw/zinc/29/11/96/619291196.db2.gz BQSCBLQCPKWFRA-LBPRGKRZSA-N 1 1 284.356 3.061 20 5 CGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCCO1 ZINC000048953928 619667285 /nfs/dbraw/zinc/66/72/85/619667285.db2.gz SYUPGSQHXGKZIK-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCCO1 ZINC000048953928 619667286 /nfs/dbraw/zinc/66/72/86/619667286.db2.gz SYUPGSQHXGKZIK-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(F)CC2)cc1Cl ZINC000895547050 619843528 /nfs/dbraw/zinc/84/35/28/619843528.db2.gz JFKAWZWRXOSSFR-UHFFFAOYSA-N 1 1 272.707 3.182 20 5 CGBDMO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000924800300 621954691 /nfs/dbraw/zinc/95/46/91/621954691.db2.gz XRRKDQCRXQKXAG-VHSXEESVSA-N 1 1 291.307 3.003 20 5 CGBDMO Cc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000060390870 623037614 /nfs/dbraw/zinc/03/76/14/623037614.db2.gz UJXNBHPHLSWQKG-UHFFFAOYSA-N 1 1 291.738 3.241 20 5 CGBDMO CCC[C@@]1(C)CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000173536014 623328952 /nfs/dbraw/zinc/32/89/52/623328952.db2.gz YNGZETBNGXMSAZ-HNNXBMFYSA-N 1 1 294.399 3.268 20 5 CGBDMO CCC[C@@]1(C)CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000173536014 623328957 /nfs/dbraw/zinc/32/89/57/623328957.db2.gz YNGZETBNGXMSAZ-HNNXBMFYSA-N 1 1 294.399 3.268 20 5 CGBDMO C[C@H]1CCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000173524840 623329431 /nfs/dbraw/zinc/32/94/31/623329431.db2.gz ZTWORPOEZNRBTQ-VIFPVBQESA-N 1 1 293.348 3.314 20 5 CGBDMO C[C@H]1CCC[N@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000173524840 623329437 /nfs/dbraw/zinc/32/94/37/623329437.db2.gz ZTWORPOEZNRBTQ-VIFPVBQESA-N 1 1 293.348 3.314 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174842670 624273601 /nfs/dbraw/zinc/27/36/01/624273601.db2.gz UQHQGKVNEYXLKE-SECBINFHSA-N 1 1 256.733 3.479 20 5 CGBDMO Cc1[nH]c(CSc2ccc([N+](=O)[O-])cc2F)c(C)[nH+]1 ZINC000917477574 624273672 /nfs/dbraw/zinc/27/36/72/624273672.db2.gz PQGMAJZTXCZPSZ-UHFFFAOYSA-N 1 1 281.312 3.366 20 5 CGBDMO CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000233036610 624607990 /nfs/dbraw/zinc/60/79/90/624607990.db2.gz ZIALLZATNQYFAL-UHFFFAOYSA-N 1 1 287.157 3.199 20 5 CGBDMO CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000233036610 624607992 /nfs/dbraw/zinc/60/79/92/624607992.db2.gz ZIALLZATNQYFAL-UHFFFAOYSA-N 1 1 287.157 3.199 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000766992332 627374853 /nfs/dbraw/zinc/37/48/53/627374853.db2.gz UBFIVCGQCIGSIE-MNOVXSKESA-N 1 1 266.316 3.212 20 5 CGBDMO C[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000766992334 627375013 /nfs/dbraw/zinc/37/50/13/627375013.db2.gz UBFIVCGQCIGSIE-QWRGUYRKSA-N 1 1 266.316 3.212 20 5 CGBDMO CCCCC[C@H]1CCC[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000767765001 627435330 /nfs/dbraw/zinc/43/53/30/627435330.db2.gz ZMQHRNZAKMFLPC-AWEZNQCLSA-N 1 1 294.399 3.410 20 5 CGBDMO CCCCC(N)=[NH+]OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768520754 627483430 /nfs/dbraw/zinc/48/34/30/627483430.db2.gz AJVUDTUZKAMZNJ-UHFFFAOYSA-N 1 1 285.731 3.437 20 5 CGBDMO CC1(C)CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCS1 ZINC000789339839 629125554 /nfs/dbraw/zinc/12/55/54/629125554.db2.gz IJHSZCOEAREFKG-UHFFFAOYSA-N 1 1 298.383 3.451 20 5 CGBDMO CC(C)CC(N)=[NH+]O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000789590319 629148827 /nfs/dbraw/zinc/14/88/27/629148827.db2.gz VPTBQZPWJKZAFF-SNVBAGLBSA-N 1 1 265.313 3.200 20 5 CGBDMO CC(C)(C)c1ccc([C@H]2CCC[N@H+]2CC[N+](=O)[O-])cc1 ZINC000791052854 629252951 /nfs/dbraw/zinc/25/29/51/629252951.db2.gz GDGFJQBUHVTDIM-OAHLLOKOSA-N 1 1 276.380 3.398 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000792867206 629389200 /nfs/dbraw/zinc/38/92/00/629389200.db2.gz MKVLDXRHAHRRPW-MNOVXSKESA-N 1 1 293.323 3.123 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)C1 ZINC000792872864 629390012 /nfs/dbraw/zinc/39/00/12/629390012.db2.gz QEEJNGQLEDGMSU-JTQLQIEISA-N 1 1 293.323 3.123 20 5 CGBDMO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n(C)n1 ZINC000793549785 629481743 /nfs/dbraw/zinc/48/17/43/629481743.db2.gz ZQUCYQHVYBUGFE-VXGBXAGGSA-N 1 1 288.351 3.049 20 5 CGBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865527588 630169830 /nfs/dbraw/zinc/16/98/30/630169830.db2.gz IAVUTKWFWZOLQL-UHFFFAOYSA-N 1 1 299.321 3.064 20 5 CGBDMO CC1=C(C)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801555548 630343103 /nfs/dbraw/zinc/34/31/03/630343103.db2.gz NZDHFRRJLAYBAU-UHFFFAOYSA-N 1 1 264.300 3.276 20 5 CGBDMO CC1=C(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801555548 630343106 /nfs/dbraw/zinc/34/31/06/630343106.db2.gz NZDHFRRJLAYBAU-UHFFFAOYSA-N 1 1 264.300 3.276 20 5 CGBDMO C[C@H]1CC(C)(C)C[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000840182709 630763590 /nfs/dbraw/zinc/76/35/90/630763590.db2.gz ISRLGKOAWTXAAD-NSHDSACASA-N 1 1 288.351 3.022 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000824650206 633268399 /nfs/dbraw/zinc/26/83/99/633268399.db2.gz KQJVUDIIATZPKQ-LBPRGKRZSA-N 1 1 266.728 3.233 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H]1C1CC1 ZINC000824650206 633268402 /nfs/dbraw/zinc/26/84/02/633268402.db2.gz KQJVUDIIATZPKQ-LBPRGKRZSA-N 1 1 266.728 3.233 20 5 CGBDMO Cc1ccncc1C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872076377 633999735 /nfs/dbraw/zinc/99/97/35/633999735.db2.gz KPAKOYGEFAHHKE-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO CCCc1ncc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000873129007 634251345 /nfs/dbraw/zinc/25/13/45/634251345.db2.gz DEYBTSANWQMQLF-UHFFFAOYSA-N 1 1 289.335 3.134 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)cc1[N+](=O)[O-] ZINC000877738079 635170930 /nfs/dbraw/zinc/17/09/30/635170930.db2.gz JMAOJWAOKSEFSX-UONOGXRCSA-N 1 1 292.404 3.088 20 5 CGBDMO C[C@H]1[C@@H](C)[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000842168011 635302875 /nfs/dbraw/zinc/30/28/75/635302875.db2.gz ZKSXMGYBZAHIRA-GMTAPVOTSA-N 1 1 266.316 3.210 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879962180 635890228 /nfs/dbraw/zinc/89/02/28/635890228.db2.gz OASZRTKSADYKIT-QWHCGFSZSA-N 1 1 292.379 3.139 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CF)C1 ZINC000880232108 635944216 /nfs/dbraw/zinc/94/42/16/635944216.db2.gz GXLTUGSHVZIFNL-NEPJUHHUSA-N 1 1 266.316 3.337 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC3(CCCCO3)CC2)cs1 ZINC000880455168 636003103 /nfs/dbraw/zinc/00/31/03/636003103.db2.gz OTBNMVHJMMJIDO-UHFFFAOYSA-N 1 1 296.392 3.191 20 5 CGBDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000130728617 636504754 /nfs/dbraw/zinc/50/47/54/636504754.db2.gz QXHQDOIMBOBYPC-FZMZJTMJSA-N 1 1 294.399 3.266 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000885953986 637329569 /nfs/dbraw/zinc/32/95/69/637329569.db2.gz KWFBIVORVTZDRX-ZDUSSCGKSA-N 1 1 289.360 3.388 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000885953986 637329576 /nfs/dbraw/zinc/32/95/76/637329576.db2.gz KWFBIVORVTZDRX-ZDUSSCGKSA-N 1 1 289.360 3.388 20 5 CGBDMO CC1(C)c2ccccc2CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886104958 637416167 /nfs/dbraw/zinc/41/61/67/637416167.db2.gz PDENEVBCEAUANZ-UHFFFAOYSA-N 1 1 297.358 3.283 20 5 CGBDMO CC1(C)c2ccccc2CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886104958 637416170 /nfs/dbraw/zinc/41/61/70/637416170.db2.gz PDENEVBCEAUANZ-UHFFFAOYSA-N 1 1 297.358 3.283 20 5 CGBDMO C[C@H]1CC[C@@]2(CC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886122465 637424721 /nfs/dbraw/zinc/42/47/21/637424721.db2.gz 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ZINC000112694813 638108505 /nfs/dbraw/zinc/10/85/05/638108505.db2.gz WWWOJFBNXBOLGH-OAHLLOKOSA-N 1 1 288.351 3.078 20 5 CGBDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000112694813 638108508 /nfs/dbraw/zinc/10/85/08/638108508.db2.gz WWWOJFBNXBOLGH-OAHLLOKOSA-N 1 1 288.351 3.078 20 5 CGBDMO Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000932562375 639355005 /nfs/dbraw/zinc/35/50/05/639355005.db2.gz LVVVJUIABZYZBI-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001254553716 806448953 /nfs/dbraw/zinc/44/89/53/806448953.db2.gz XQTYDTSGQCLDBP-MBNYWOFBSA-N 1 1 280.343 3.206 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001254553716 806448958 /nfs/dbraw/zinc/44/89/58/806448958.db2.gz XQTYDTSGQCLDBP-MBNYWOFBSA-N 1 1 280.343 3.206 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254604629 806460503 /nfs/dbraw/zinc/46/05/03/806460503.db2.gz WYDNMAWHKIBCPR-OZVIIMIRSA-N 1 1 274.364 3.040 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000699209678 799857746 /nfs/dbraw/zinc/85/77/46/799857746.db2.gz SOJBCTNFVHQJRM-UWVGGRQHSA-N 1 1 266.728 3.090 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000699209678 799857754 /nfs/dbraw/zinc/85/77/54/799857754.db2.gz SOJBCTNFVHQJRM-UWVGGRQHSA-N 1 1 266.728 3.090 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC001163618709 806793255 /nfs/dbraw/zinc/79/32/55/806793255.db2.gz VJDWYXWTSDZGPU-HIFRSBDPSA-N 1 1 289.379 3.332 20 5 CGBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccns1 ZINC000715930660 800153624 /nfs/dbraw/zinc/15/36/24/800153624.db2.gz IHHZHWCSEPELNC-NXEZZACHSA-N 1 1 277.349 3.463 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932375148 800660533 /nfs/dbraw/zinc/66/05/33/800660533.db2.gz KHMUEUDTJSBYDF-MRXNPFEDSA-N 1 1 283.331 3.231 20 5 CGBDMO CC(C)P(CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)C ZINC001169001255 807549284 /nfs/dbraw/zinc/54/92/84/807549284.db2.gz DZGRXKOTLHOPPC-ZIAGYGMSSA-N 1 1 288.372 3.320 20 5 CGBDMO C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC001169021968 807554714 /nfs/dbraw/zinc/55/47/14/807554714.db2.gz BMDUWLKKOVESIA-QMCVRULOSA-N 1 1 292.423 3.332 20 5 CGBDMO C[N@@H+](CCc1ccccc1Cl)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037731 807555735 /nfs/dbraw/zinc/55/57/35/807555735.db2.gz TWXODCDUEHUBTQ-JSGCOSHPSA-N 1 1 296.798 3.260 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2Cc3cccc(Cl)c3C2)C1 ZINC001169038761 807557809 /nfs/dbraw/zinc/55/78/09/807557809.db2.gz KIEUTRUKSITTSB-ZYHUDNBSSA-N 1 1 280.755 3.101 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC001169046900 807558182 /nfs/dbraw/zinc/55/81/82/807558182.db2.gz OGFWINLEZPWAGT-VBNZEHGJSA-N 1 1 292.354 3.408 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCSc3ccccc3C2)C1 ZINC001169046358 807558999 /nfs/dbraw/zinc/55/89/99/807558999.db2.gz KZXCAUPMLHXKAP-GXTWGEPZSA-N 1 1 292.404 3.040 20 5 CGBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CC(C)(C)C2)c1F ZINC001173187267 808533326 /nfs/dbraw/zinc/53/33/26/808533326.db2.gz XYLCKUWMKKJFLU-SNVBAGLBSA-N 1 1 296.342 3.015 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC1CCC1 ZINC001173227040 808541804 /nfs/dbraw/zinc/54/18/04/808541804.db2.gz MJSHDMOJGCYTPZ-LBPRGKRZSA-N 1 1 262.353 3.258 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H](F)C1 ZINC001173228917 808542534 /nfs/dbraw/zinc/54/25/34/808542534.db2.gz NPXGKERCZDQLLI-JSGCOSHPSA-N 1 1 280.343 3.350 20 5 CGBDMO Cc1cccc(Nc2ccc(/C=C/[N+](=O)[O-])cc2)[nH+]1 ZINC001175900132 809567180 /nfs/dbraw/zinc/56/71/80/809567180.db2.gz JIGWFZIUPYCSCF-MDZDMXLPSA-N 1 1 255.277 3.381 20 5 CGBDMO C[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001195349848 811246534 /nfs/dbraw/zinc/24/65/34/811246534.db2.gz FIBGDALYAKRTQZ-ZIAGYGMSSA-N 1 1 292.379 3.484 20 5 CGBDMO CC[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001226761753 817456929 /nfs/dbraw/zinc/45/69/29/817456929.db2.gz DYBVFDUSEQDRTM-LLVKDONJSA-N 1 1 284.743 3.111 20 5 CGBDMO CC(C)[N@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001226810761 817472089 /nfs/dbraw/zinc/47/20/89/817472089.db2.gz SGBGOVVNEYBLJA-LLVKDONJSA-N 1 1 284.743 3.110 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1CCC[N@H+](C)CC1 ZINC001228571740 817941747 /nfs/dbraw/zinc/94/17/47/817941747.db2.gz SFQKRKHPMQXSSH-AWEZNQCLSA-N 1 1 278.352 3.075 20 5 CGBDMO F[C@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218230 818282677 /nfs/dbraw/zinc/28/26/77/818282677.db2.gz DJKUBCYGPSSYCL-AWEZNQCLSA-N 1 1 281.334 3.327 20 5 CGBDMO F[C@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218230 818282679 /nfs/dbraw/zinc/28/26/79/818282679.db2.gz DJKUBCYGPSSYCL-AWEZNQCLSA-N 1 1 281.334 3.327 20 5 CGBDMO CSC1(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC001343552527 936506071 /nfs/dbraw/zinc/50/60/71/936506071.db2.gz LWVDXBNGDGQSOF-UHFFFAOYSA-N 1 1 278.377 3.196 20 5 CGBDMO CSC1(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC001343552527 936506074 /nfs/dbraw/zinc/50/60/74/936506074.db2.gz LWVDXBNGDGQSOF-UHFFFAOYSA-N 1 1 278.377 3.196 20 5 CGBDMO Cc1ccccc1[C@@H](C)[N@H+](CC[N+](=O)[O-])CC(C)C ZINC001460088862 937515296 /nfs/dbraw/zinc/51/52/96/937515296.db2.gz MVNNRSZPVPKRSR-CQSZACIVSA-N 1 1 264.369 3.291 20 5 CGBDMO Cc1cc(F)cc([N+](=O)[O-])c1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001229199167 932114557 /nfs/dbraw/zinc/11/45/57/932114557.db2.gz UCQYQZYMIUVDOX-CLLJXQQHSA-N 1 1 294.326 3.046 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCC(C)(C)C ZINC001307873108 933011323 /nfs/dbraw/zinc/01/13/23/933011323.db2.gz CABICWULGJIRMX-UHFFFAOYSA-N 1 1 280.368 3.471 20 5 CGBDMO CC[C@@H]1C[C@H]1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001473465164 937807888 /nfs/dbraw/zinc/80/78/88/937807888.db2.gz MANLWHZCPLRAKT-OCCSQVGLSA-N 1 1 262.353 3.115 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC001473614846 937813400 /nfs/dbraw/zinc/81/34/00/937813400.db2.gz OUPMWHBHWQYEEZ-ZWNOBZJWSA-N 1 1 264.300 3.108 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC001473614846 937813402 /nfs/dbraw/zinc/81/34/02/937813402.db2.gz OUPMWHBHWQYEEZ-ZWNOBZJWSA-N 1 1 264.300 3.108 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC001473723481 937819204 /nfs/dbraw/zinc/81/92/04/937819204.db2.gz DKNIRNLBEKFXRF-BETUJISGSA-N 1 1 288.347 3.001 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC001559929713 938239232 /nfs/dbraw/zinc/23/92/32/938239232.db2.gz QTLQZPYTRYSKBG-GHMZBOCLSA-N 1 1 266.316 3.354 20 5 CGBDMO COCc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000125762438 187199248 /nfs/dbraw/zinc/19/92/48/187199248.db2.gz OYEUTZVTZRCMEB-NSHDSACASA-N 1 1 290.319 3.185 20 5 CGBDMO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(F)F ZINC000449361924 529650926 /nfs/dbraw/zinc/65/09/26/529650926.db2.gz LTJIXNOPMRZMNX-ONGXEEELSA-N 1 1 272.295 3.159 20 5 CGBDMO CC[C@H]([NH2+][C@H](CN)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423263743 529668716 /nfs/dbraw/zinc/66/87/16/529668716.db2.gz OUWQXTUPCOKTSK-ZFWWWQNUSA-N 1 1 279.384 3.009 20 5 CGBDMO CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130347 346965670 /nfs/dbraw/zinc/96/56/70/346965670.db2.gz DKARMKMNZYTOEW-SHTZXODSSA-N 1 1 292.379 3.110 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC(C)(CC(F)F)C1 ZINC000592523447 346995518 /nfs/dbraw/zinc/99/55/18/346995518.db2.gz LVNIKVDOHXXRBX-UHFFFAOYSA-N 1 1 284.306 3.380 20 5 CGBDMO COc1cc(C[N@H+]2CCC23CCCC3)ccc1[N+](=O)[O-] ZINC000593038635 347030774 /nfs/dbraw/zinc/03/07/74/347030774.db2.gz KFIIORSDLVZRFJ-UHFFFAOYSA-N 1 1 276.336 3.122 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 ZINC000593070676 347035145 /nfs/dbraw/zinc/03/51/45/347035145.db2.gz OWDUGOBVMRFZTF-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 ZINC000593070676 347035149 /nfs/dbraw/zinc/03/51/49/347035149.db2.gz OWDUGOBVMRFZTF-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO Cc1ccc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)o1 ZINC000046055539 345033493 /nfs/dbraw/zinc/03/34/93/345033493.db2.gz SYNCZXSIFYAUSY-UHFFFAOYSA-N 1 1 290.319 3.007 20 5 CGBDMO C[N@H+]1CCC[C@H](CNc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000050352245 345081549 /nfs/dbraw/zinc/08/15/49/345081549.db2.gz PCEFZQDREKVDID-SNVBAGLBSA-N 1 1 283.759 3.002 20 5 CGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccsc1 ZINC000051471023 345090624 /nfs/dbraw/zinc/09/06/24/345090624.db2.gz BYEDGQKGGCUCNM-UHFFFAOYSA-N 1 1 292.360 3.167 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cccs1 ZINC000061779330 345233111 /nfs/dbraw/zinc/23/31/11/345233111.db2.gz WDQAVMILFGSTSY-UHFFFAOYSA-N 1 1 292.360 3.297 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cccs1 ZINC000061779330 345233115 /nfs/dbraw/zinc/23/31/15/345233115.db2.gz WDQAVMILFGSTSY-UHFFFAOYSA-N 1 1 292.360 3.297 20 5 CGBDMO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC1CC1 ZINC000070947172 345399457 /nfs/dbraw/zinc/39/94/57/345399457.db2.gz FURXBVLJTHTKAR-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO CCOC[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075743810 345521451 /nfs/dbraw/zinc/52/14/51/345521451.db2.gz OVVIAUKXPJPKSI-UONOGXRCSA-N 1 1 292.379 3.404 20 5 CGBDMO CSCCC[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000075597892 345514541 /nfs/dbraw/zinc/51/45/41/345514541.db2.gz JUKPUGUJGMPFES-LLVKDONJSA-N 1 1 268.382 3.341 20 5 CGBDMO CCC[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2C)C1 ZINC000091457335 345814988 /nfs/dbraw/zinc/81/49/88/345814988.db2.gz MJVRBQWCVPHOBN-ZDUSSCGKSA-N 1 1 277.368 3.047 20 5 CGBDMO C[C@H](C1CC1)[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116274003 345976593 /nfs/dbraw/zinc/97/65/93/345976593.db2.gz JPLYPWGOURYUFT-SECBINFHSA-N 1 1 268.744 3.479 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000177548251 232370539 /nfs/dbraw/zinc/37/05/39/232370539.db2.gz PDXRVSAPUWEUQQ-OKILXGFUSA-N 1 1 260.337 3.217 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](CO)CC1 ZINC000293102212 346430537 /nfs/dbraw/zinc/43/05/37/346430537.db2.gz LBZZDXDBGOAHKS-UONOGXRCSA-N 1 1 292.379 3.059 20 5 CGBDMO O=[N+]([O-])c1cc(C(F)F)ccc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000314004376 346480816 /nfs/dbraw/zinc/48/08/16/346480816.db2.gz UDYQGGNKEWWYHV-JTQLQIEISA-N 1 1 297.305 3.181 20 5 CGBDMO CC(C)n1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000584713716 346709772 /nfs/dbraw/zinc/70/97/72/346709772.db2.gz SYZPRDIIUUAWRC-GFCCVEGCSA-N 1 1 288.351 3.223 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](F)C1 ZINC000593698037 347105375 /nfs/dbraw/zinc/10/53/75/347105375.db2.gz ZKSLQXWTKCHIAN-BCNIOPEESA-N 1 1 278.327 3.432 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](F)C1 ZINC000593698037 347105378 /nfs/dbraw/zinc/10/53/78/347105378.db2.gz ZKSLQXWTKCHIAN-BCNIOPEESA-N 1 1 278.327 3.432 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)s1 ZINC000594604080 347201001 /nfs/dbraw/zinc/20/10/01/347201001.db2.gz YAOWESYNNZXEAH-QWRGUYRKSA-N 1 1 281.381 3.085 20 5 CGBDMO CC[C@@H]([NH2+]Cc1nc(C)c(C)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000594942136 347236964 /nfs/dbraw/zinc/23/69/64/347236964.db2.gz XAQHQBKXRKMTCG-CQSZACIVSA-N 1 1 288.351 3.176 20 5 CGBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000595288614 347286408 /nfs/dbraw/zinc/28/64/08/347286408.db2.gz QFSLMLHXSXKWKE-UHFFFAOYSA-N 1 1 252.289 3.108 20 5 CGBDMO Cc1noc(C[N@H+]2CCC[C@H]2C2CCCC2)c1[N+](=O)[O-] ZINC000595294194 347288183 /nfs/dbraw/zinc/28/81/83/347288183.db2.gz WGTADBBEOXDIFO-LBPRGKRZSA-N 1 1 279.340 3.046 20 5 CGBDMO CC(C)OC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595312357 347291415 /nfs/dbraw/zinc/29/14/15/347291415.db2.gz LFDPJRVTJQPQCX-UHFFFAOYSA-N 1 1 296.342 3.123 20 5 CGBDMO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595426054 347301431 /nfs/dbraw/zinc/30/14/31/347301431.db2.gz OMUQNROAJQKMGV-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO CCC1CCC([N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595342352 347294812 /nfs/dbraw/zinc/29/48/12/347294812.db2.gz BNRXPTINFUGBQE-UHFFFAOYSA-N 1 1 281.356 3.292 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCS1 ZINC000595454948 347305796 /nfs/dbraw/zinc/30/57/96/347305796.db2.gz PBCPXAGYDLMHBM-SNVBAGLBSA-N 1 1 284.356 3.061 20 5 CGBDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595541757 347317237 /nfs/dbraw/zinc/31/72/37/347317237.db2.gz CITYMYXNSZUTKQ-SNVBAGLBSA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595548965 347317875 /nfs/dbraw/zinc/31/78/75/347317875.db2.gz BILXDXXMWCAEBK-OUAUKWLOSA-N 1 1 266.316 3.210 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595565176 347320314 /nfs/dbraw/zinc/32/03/14/347320314.db2.gz CEFFRBWPOQIRPH-WFASDCNBSA-N 1 1 290.363 3.368 20 5 CGBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000595857299 347367938 /nfs/dbraw/zinc/36/79/38/347367938.db2.gz JLMVUJBBNLVDMV-AGUYFDCRSA-N 1 1 290.363 3.237 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC2CC1(C)C2 ZINC000595919098 347372525 /nfs/dbraw/zinc/37/25/25/347372525.db2.gz HRYVXUGVGUBDAD-XIKARTHZSA-N 1 1 260.337 3.449 20 5 CGBDMO Cc1cc(N[C@H]2CC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])s1 ZINC000596076870 347379591 /nfs/dbraw/zinc/37/95/91/347379591.db2.gz QYYUTVKQBOPALX-CMPLNLGQSA-N 1 1 281.381 3.003 20 5 CGBDMO Cc1cc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])s1 ZINC000596076873 347379771 /nfs/dbraw/zinc/37/97/71/347379771.db2.gz QYYUTVKQBOPALX-PWSUYJOCSA-N 1 1 281.381 3.003 20 5 CGBDMO CC(C)[C@@H]1CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351845551 219224445 /nfs/dbraw/zinc/22/44/45/219224445.db2.gz TZKSFSSFRPVNFI-AWEZNQCLSA-N 1 1 284.306 3.493 20 5 CGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000597223123 347556847 /nfs/dbraw/zinc/55/68/47/347556847.db2.gz KVAWLJMUSCVFEF-UWVGGRQHSA-N 1 1 298.289 3.038 20 5 CGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1=CCSC1 ZINC000597244021 347562479 /nfs/dbraw/zinc/56/24/79/347562479.db2.gz KIOHZTCXABMDAO-XQRVVYSFSA-N 1 1 290.388 3.213 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH+]2CC(CC3CC3)C2)c(Cl)c1 ZINC000598679151 347678662 /nfs/dbraw/zinc/67/86/62/347678662.db2.gz YKGXXMPTCXELHO-UHFFFAOYSA-N 1 1 280.755 3.480 20 5 CGBDMO C[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598954741 347700530 /nfs/dbraw/zinc/70/05/30/347700530.db2.gz GHHBSMFBMCMNDS-OCCSQVGLSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598954741 347700534 /nfs/dbraw/zinc/70/05/34/347700534.db2.gz GHHBSMFBMCMNDS-OCCSQVGLSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598954740 347700905 /nfs/dbraw/zinc/70/09/05/347700905.db2.gz GHHBSMFBMCMNDS-JSGCOSHPSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598954740 347700907 /nfs/dbraw/zinc/70/09/07/347700907.db2.gz GHHBSMFBMCMNDS-JSGCOSHPSA-N 1 1 291.395 3.118 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCC3(CC3)CC2)c1 ZINC000599673539 347764277 /nfs/dbraw/zinc/76/42/77/347764277.db2.gz SQFZKUSFKLBUDU-UHFFFAOYSA-N 1 1 260.337 3.361 20 5 CGBDMO O=[N+]([O-])c1sccc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599165239 347722496 /nfs/dbraw/zinc/72/24/96/347722496.db2.gz OMWUPADFNAIUMS-NSHDSACASA-N 1 1 281.381 3.085 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000599553385 347754542 /nfs/dbraw/zinc/75/45/42/347754542.db2.gz RSBKWJMEFBNXRE-KGLIPLIRSA-N 1 1 278.377 3.065 20 5 CGBDMO Cc1ccc(C[NH+]2CC(Cc3ccco3)C2)cc1[N+](=O)[O-] ZINC000600197625 347792353 /nfs/dbraw/zinc/79/23/53/347792353.db2.gz MFZVDKXCIRWGQM-UHFFFAOYSA-N 1 1 286.331 3.171 20 5 CGBDMO Cc1c[nH+]cn1C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000601158207 347876303 /nfs/dbraw/zinc/87/63/03/347876303.db2.gz OZPQZIBNVAVZFQ-UHFFFAOYSA-N 1 1 292.364 3.003 20 5 CGBDMO C[C@@H](CF)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602663548 348003700 /nfs/dbraw/zinc/00/37/00/348003700.db2.gz USLOCZBIQSPJMP-ZETCQYMHSA-N 1 1 280.221 3.061 20 5 CGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccsc1[N+](=O)[O-] ZINC000609560574 348346875 /nfs/dbraw/zinc/34/68/75/348346875.db2.gz PHWOLHPMAYHEFY-TUAOUCFPSA-N 1 1 297.424 3.435 20 5 CGBDMO C[C@H]1CC[C@H](C)[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610372171 348380243 /nfs/dbraw/zinc/38/02/43/348380243.db2.gz HFMIRNIDGDQVOP-KBPBESRZSA-N 1 1 292.379 3.484 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCOC(C)(C)C ZINC000610859745 348406939 /nfs/dbraw/zinc/40/69/39/348406939.db2.gz KVGWYZRJFRZKMT-GFCCVEGCSA-N 1 1 280.368 3.403 20 5 CGBDMO CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000610581790 348391216 /nfs/dbraw/zinc/39/12/16/348391216.db2.gz OMAYCMCLDIFDTP-UHFFFAOYSA-N 1 1 275.308 3.110 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(F)F)C1 ZINC000611180547 348427015 /nfs/dbraw/zinc/42/70/15/348427015.db2.gz ZEQQMEYLPLZGFA-UWVGGRQHSA-N 1 1 270.279 3.243 20 5 CGBDMO C[C@H]([NH2+]Cc1[nH]nc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000611377050 348442189 /nfs/dbraw/zinc/44/21/89/348442189.db2.gz FKYHEIWONLPHCL-NSHDSACASA-N 1 1 296.330 3.322 20 5 CGBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC1CC1 ZINC000351978389 219273466 /nfs/dbraw/zinc/27/34/66/219273466.db2.gz RYDWSGBYDVPUPX-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000619158297 349214773 /nfs/dbraw/zinc/21/47/73/349214773.db2.gz PGEVESRIVAAPSN-JTQLQIEISA-N 1 1 283.397 3.189 20 5 CGBDMO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CC1 ZINC000153057914 188062649 /nfs/dbraw/zinc/06/26/49/188062649.db2.gz IUCDHKJIPFTJDO-UHFFFAOYSA-N 1 1 287.319 3.092 20 5 CGBDMO COC[C@]1(C)CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000296843844 200012667 /nfs/dbraw/zinc/01/26/67/200012667.db2.gz SVHCKWUZVSXTLR-SWLSCSKDSA-N 1 1 278.352 3.014 20 5 CGBDMO O=[N+]([O-])c1ccccc1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000301486104 201026300 /nfs/dbraw/zinc/02/63/00/201026300.db2.gz ZTPGPNALAZPDLE-CQSZACIVSA-N 1 1 289.379 3.271 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000342329268 216313422 /nfs/dbraw/zinc/31/34/22/216313422.db2.gz HTFCRTALXFPPFT-PHIMTYICSA-N 1 1 266.316 3.497 20 5 CGBDMO CC(C)C[N@H+]1CC[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342546153 216393426 /nfs/dbraw/zinc/39/34/26/216393426.db2.gz RWGAYXXTPMZDLS-LBPRGKRZSA-N 1 1 295.358 3.124 20 5 CGBDMO Cc1ccc(C[NH+]2CC3(CCC3(F)F)C2)cc1[N+](=O)[O-] ZINC000335657263 212376433 /nfs/dbraw/zinc/37/64/33/212376433.db2.gz UEUICHUSIJZTPX-UHFFFAOYSA-N 1 1 282.290 3.134 20 5 CGBDMO CO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000451540657 240321672 /nfs/dbraw/zinc/32/16/72/240321672.db2.gz GUPMSIVNIWWQMT-QMTHXVAHSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000451540657 240321676 /nfs/dbraw/zinc/32/16/76/240321676.db2.gz GUPMSIVNIWWQMT-QMTHXVAHSA-N 1 1 298.770 3.105 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451902175 240380347 /nfs/dbraw/zinc/38/03/47/240380347.db2.gz NWPMWGVOBWNEKF-XJKSGUPXSA-N 1 1 290.363 3.158 20 5 CGBDMO Cc1ccc(CNc2[nH+]cccc2C)cc1[N+](=O)[O-] ZINC000121265927 370847281 /nfs/dbraw/zinc/84/72/81/370847281.db2.gz UKHYBRICXPDQTN-UHFFFAOYSA-N 1 1 257.293 3.219 20 5 CGBDMO C[C@@H]1CCCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000481591381 243198918 /nfs/dbraw/zinc/19/89/18/243198918.db2.gz HGWUYQZVGXTCEK-CYBMUJFWSA-N 1 1 278.352 3.096 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC000035013331 368989667 /nfs/dbraw/zinc/98/96/67/368989667.db2.gz GHDLJRJVRRRQKR-NSHDSACASA-N 1 1 260.293 3.347 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C(C1CC1)C1CC1 ZINC000276267792 193263974 /nfs/dbraw/zinc/26/39/74/193263974.db2.gz CGEMFNNNABGROZ-UHFFFAOYSA-N 1 1 278.327 3.354 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+](C/C=C/Cl)C2CC2)cc1 ZINC000130172972 371017310 /nfs/dbraw/zinc/01/73/10/371017310.db2.gz RAHFZUTUZDBVOF-UNXLUWIOSA-N 1 1 266.728 3.312 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](C/C=C/Cl)C2CC2)cc1 ZINC000130172972 371017312 /nfs/dbraw/zinc/01/73/12/371017312.db2.gz RAHFZUTUZDBVOF-UNXLUWIOSA-N 1 1 266.728 3.312 20 5 CGBDMO Cc1cncc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000131085636 371081409 /nfs/dbraw/zinc/08/14/09/371081409.db2.gz MKTDZZYPPDIWJZ-LBPRGKRZSA-N 1 1 271.320 3.149 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000344025219 217015826 /nfs/dbraw/zinc/01/58/26/217015826.db2.gz ILFXGJKWNNUUNN-ZDUSSCGKSA-N 1 1 290.363 3.225 20 5 CGBDMO CC[C@H](C)[N@@H+](C)CCNc1cccc(C)c1[N+](=O)[O-] ZINC000220326514 376207844 /nfs/dbraw/zinc/20/78/44/376207844.db2.gz JVYRCCADHTZBOU-LBPRGKRZSA-N 1 1 265.357 3.045 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153169427 371753970 /nfs/dbraw/zinc/75/39/70/371753970.db2.gz BRVLLPAXYLXEFN-BNOWGMLFSA-N 1 1 260.337 3.388 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCC1(F)F ZINC000289702275 371796920 /nfs/dbraw/zinc/79/69/20/371796920.db2.gz HNSWEIXCOHXDQK-SNVBAGLBSA-N 1 1 270.279 3.072 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCC1(F)F ZINC000289702275 371796926 /nfs/dbraw/zinc/79/69/26/371796926.db2.gz HNSWEIXCOHXDQK-SNVBAGLBSA-N 1 1 270.279 3.072 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCC1(F)F ZINC000289730252 371804221 /nfs/dbraw/zinc/80/42/21/371804221.db2.gz IYSGVQAZAFEGGJ-SNVBAGLBSA-N 1 1 270.279 3.072 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCC1(F)F ZINC000289730252 371804232 /nfs/dbraw/zinc/80/42/32/371804232.db2.gz IYSGVQAZAFEGGJ-SNVBAGLBSA-N 1 1 270.279 3.072 20 5 CGBDMO COc1ccc(CNc2cc(C3CC3)cc[nH+]2)cc1[N+](=O)[O-] ZINC000289781901 371819856 /nfs/dbraw/zinc/81/98/56/371819856.db2.gz KQDIVFRZUJQKEZ-UHFFFAOYSA-N 1 1 299.330 3.488 20 5 CGBDMO CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000422837635 371834946 /nfs/dbraw/zinc/83/49/46/371834946.db2.gz MPQYCRGYTQIFCG-NOLJZWGESA-N 1 1 291.395 3.024 20 5 CGBDMO CC[C@]1(O)CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000428431372 372197188 /nfs/dbraw/zinc/19/71/88/372197188.db2.gz SPICHVKVPCAKGB-INIZCTEOSA-N 1 1 292.379 3.065 20 5 CGBDMO C[C@H]1C[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000432321983 372558453 /nfs/dbraw/zinc/55/84/53/372558453.db2.gz JQKIRIVSPAAMEI-UWVGGRQHSA-N 1 1 295.770 3.285 20 5 CGBDMO CC[C@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000174364939 373301334 /nfs/dbraw/zinc/30/13/34/373301334.db2.gz QPPOPXVEDSFSQW-FZMZJTMJSA-N 1 1 280.393 3.483 20 5 CGBDMO C[C@@]12CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]1C2(F)F ZINC000298417180 373321735 /nfs/dbraw/zinc/32/17/35/373321735.db2.gz XLIVDYQXMZOLRA-QWHCGFSZSA-N 1 1 282.290 3.072 20 5 CGBDMO CCOC[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000176335666 373583051 /nfs/dbraw/zinc/58/30/51/373583051.db2.gz BNPQOZRSZSLGJM-NSHDSACASA-N 1 1 298.770 3.107 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000301094221 373658545 /nfs/dbraw/zinc/65/85/45/373658545.db2.gz MDQBDSJYQAGETF-LLVKDONJSA-N 1 1 281.331 3.020 20 5 CGBDMO CO[C@@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451548541 374202562 /nfs/dbraw/zinc/20/25/62/374202562.db2.gz RXFVISOBKYTHLW-YWPYICTPSA-N 1 1 278.352 3.013 20 5 CGBDMO COc1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000182665372 374308197 /nfs/dbraw/zinc/30/81/97/374308197.db2.gz SLZKINXPSDZVLV-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO COc1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000182665372 374308207 /nfs/dbraw/zinc/30/82/07/374308207.db2.gz SLZKINXPSDZVLV-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO COc1cccc2c1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000182716741 374317114 /nfs/dbraw/zinc/31/71/14/374317114.db2.gz SMQZYEHGZRZRFA-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO COc1cccc2c1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000182716741 374317117 /nfs/dbraw/zinc/31/71/17/374317117.db2.gz SMQZYEHGZRZRFA-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCC4(CC4)C3)nc2c1 ZINC000186969485 374947266 /nfs/dbraw/zinc/94/72/66/374947266.db2.gz DGBUCRSZFQWDBT-UHFFFAOYSA-N 1 1 287.319 3.112 20 5 CGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCC4(CC4)C3)nc2c1 ZINC000186969485 374947272 /nfs/dbraw/zinc/94/72/72/374947272.db2.gz DGBUCRSZFQWDBT-UHFFFAOYSA-N 1 1 287.319 3.112 20 5 CGBDMO C[C@H]1CC[C@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000464813160 374903370 /nfs/dbraw/zinc/90/33/70/374903370.db2.gz HMJNKRSLMYTGGE-STQMWFEESA-N 1 1 262.353 3.258 20 5 CGBDMO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C(C1CC1)C1CC1 ZINC000509260264 375777953 /nfs/dbraw/zinc/77/79/53/375777953.db2.gz NCYJOPOHRMSFIO-UHFFFAOYSA-N 1 1 296.317 3.493 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1nccs1)CCC2 ZINC000192708047 375780166 /nfs/dbraw/zinc/78/01/66/375780166.db2.gz ZKWYQIMOOHGZGG-ZDUSSCGKSA-N 1 1 289.360 3.219 20 5 CGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCC=CO1 ZINC000193644121 375902598 /nfs/dbraw/zinc/90/25/98/375902598.db2.gz NZXUYKMHLZMPOE-ZDUSSCGKSA-N 1 1 296.754 3.373 20 5 CGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCC=CO1 ZINC000193644121 375902603 /nfs/dbraw/zinc/90/26/03/375902603.db2.gz NZXUYKMHLZMPOE-ZDUSSCGKSA-N 1 1 296.754 3.373 20 5 CGBDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000336812203 375965327 /nfs/dbraw/zinc/96/53/27/375965327.db2.gz QMPRFXAYVANWHM-QWRGUYRKSA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@@H]1C[C@H](C)[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000537616552 376181747 /nfs/dbraw/zinc/18/17/47/376181747.db2.gz FNUJQOYLTVDTHM-JOVKLMRISA-N 1 1 260.337 3.338 20 5 CGBDMO CCC[C@@H](C)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000539383029 376306016 /nfs/dbraw/zinc/30/60/16/376306016.db2.gz WNWGBEASWGADFX-GFCCVEGCSA-N 1 1 262.353 3.389 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000544118045 376705159 /nfs/dbraw/zinc/70/51/59/376705159.db2.gz UGFKGLOBNYEZQZ-GFCCVEGCSA-N 1 1 262.353 3.463 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H]1CCCOC1 ZINC000558414095 377004777 /nfs/dbraw/zinc/00/47/77/377004777.db2.gz WSPFGIONXLVJIF-WQMJKPAKSA-N 1 1 290.363 3.109 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000562680831 377347611 /nfs/dbraw/zinc/34/76/11/377347611.db2.gz IWYRXWBUPFIMHQ-GFCCVEGCSA-N 1 1 297.358 3.329 20 5 CGBDMO CCC(C)(C)[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000265224067 190167245 /nfs/dbraw/zinc/16/72/45/190167245.db2.gz OCRJOCYLGRFPTA-UHFFFAOYSA-N 1 1 266.341 3.224 20 5 CGBDMO C[N@H+](CC[C@@H]1CCCO1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000342600242 377685027 /nfs/dbraw/zinc/68/50/27/377685027.db2.gz KAXOOUNENOHNFL-NSHDSACASA-N 1 1 298.770 3.249 20 5 CGBDMO C[N@@H+](CC[C@@H]1CCCO1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000342600242 377685038 /nfs/dbraw/zinc/68/50/38/377685038.db2.gz KAXOOUNENOHNFL-NSHDSACASA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@@H]1SCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000255002841 377723135 /nfs/dbraw/zinc/72/31/35/377723135.db2.gz MUANCIBOSZIRRM-REPZICSESA-N 1 1 292.404 3.434 20 5 CGBDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000575135317 377754232 /nfs/dbraw/zinc/75/42/32/377754232.db2.gz ZZISNGHMVJTQRR-OAHLLOKOSA-N 1 1 297.358 3.288 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC2(CCC2)C1 ZINC000255503651 377763573 /nfs/dbraw/zinc/76/35/73/377763573.db2.gz PGARYVNZMRRYLF-UTCJRWHESA-N 1 1 272.348 3.484 20 5 CGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000343014914 377881622 /nfs/dbraw/zinc/88/16/22/377881622.db2.gz LLMGTGQIZCOMJH-MRXNPFEDSA-N 1 1 290.363 3.238 20 5 CGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000578475964 378073332 /nfs/dbraw/zinc/07/33/32/378073332.db2.gz QRBKGLFAHLWUQN-GFCCVEGCSA-N 1 1 265.357 3.127 20 5 CGBDMO CC(C)[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000269639659 378247721 /nfs/dbraw/zinc/24/77/21/378247721.db2.gz IOIRFPCBIQWFAC-INIZCTEOSA-N 1 1 292.379 3.281 20 5 CGBDMO CC1CCC([N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269693635 378255576 /nfs/dbraw/zinc/25/55/76/378255576.db2.gz JKKNVVIPVWDALN-LDZOIKDWSA-N 1 1 292.379 3.139 20 5 CGBDMO CC1CCC([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269693638 378256040 /nfs/dbraw/zinc/25/60/40/378256040.db2.gz JKKNVVIPVWDALN-PXCJXSSVSA-N 1 1 292.379 3.139 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC3(CCC3)C2)cs1 ZINC000348171971 378822645 /nfs/dbraw/zinc/82/26/45/378822645.db2.gz WXRUBCMEFDQQHE-UHFFFAOYSA-N 1 1 266.366 3.422 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCC3(CCC3)C2)cs1 ZINC000348171971 378822650 /nfs/dbraw/zinc/82/26/50/378822650.db2.gz WXRUBCMEFDQQHE-UHFFFAOYSA-N 1 1 266.366 3.422 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)cs1 ZINC000278634318 194077921 /nfs/dbraw/zinc/07/79/21/194077921.db2.gz GNOAFLZDPHSSJW-MRVPVSSYSA-N 1 1 294.298 3.431 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)cs1 ZINC000278634318 194077924 /nfs/dbraw/zinc/07/79/24/194077924.db2.gz GNOAFLZDPHSSJW-MRVPVSSYSA-N 1 1 294.298 3.431 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278672098 194094856 /nfs/dbraw/zinc/09/48/56/194094856.db2.gz IISQRBSCVJNFCU-NSHDSACASA-N 1 1 288.269 3.369 20 5 CGBDMO CCOC1CC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000347473171 218247854 /nfs/dbraw/zinc/24/78/54/218247854.db2.gz YJMHJLQBCPZKRX-UHFFFAOYSA-N 1 1 298.770 3.248 20 5 CGBDMO CCOC1CC([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000347473171 218247855 /nfs/dbraw/zinc/24/78/55/218247855.db2.gz YJMHJLQBCPZKRX-UHFFFAOYSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@H](C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000349961653 379460637 /nfs/dbraw/zinc/46/06/37/379460637.db2.gz BPGIWRJLSYDPBR-CYBMUJFWSA-N 1 1 280.368 3.149 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)CC1(C)C ZINC000350181210 379525565 /nfs/dbraw/zinc/52/55/65/379525565.db2.gz LVKTXRKMACJPBZ-LLVKDONJSA-N 1 1 278.352 3.224 20 5 CGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000352670646 379902683 /nfs/dbraw/zinc/90/26/83/379902683.db2.gz HPDPMVLFBKLTDO-LYASGUKUSA-N 1 1 290.363 3.109 20 5 CGBDMO Cc1[nH+]ccn1CCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000283751131 380085585 /nfs/dbraw/zinc/08/55/85/380085585.db2.gz LBXKKDOWAPDVIY-UHFFFAOYSA-N 1 1 294.742 3.255 20 5 CGBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000353963580 380255835 /nfs/dbraw/zinc/25/58/35/380255835.db2.gz XTOHCYNZSUJXDT-GDBMZVCRSA-N 1 1 292.379 3.230 20 5 CGBDMO CCC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000353972758 380260129 /nfs/dbraw/zinc/26/01/29/380260129.db2.gz ORIMDBWAMHIJAS-XJKSGUPXSA-N 1 1 291.395 3.120 20 5 CGBDMO CCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000353972758 380260130 /nfs/dbraw/zinc/26/01/30/380260130.db2.gz ORIMDBWAMHIJAS-XJKSGUPXSA-N 1 1 291.395 3.120 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CC1CC1)C1CCC1 ZINC000355727650 380761398 /nfs/dbraw/zinc/76/13/98/380761398.db2.gz JZBSUZFLRVWYOT-UHFFFAOYSA-N 1 1 260.337 3.359 20 5 CGBDMO Cc1ccncc1C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000355603095 380724686 /nfs/dbraw/zinc/72/46/86/380724686.db2.gz WWGHWLLNRFTIQM-ALCCZGGFSA-N 1 1 297.358 3.443 20 5 CGBDMO CC[C@@H](C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)OC ZINC000419295795 380795340 /nfs/dbraw/zinc/79/53/40/380795340.db2.gz XAXIBOJZLCFHJX-HOCLYGCPSA-N 1 1 292.379 3.199 20 5 CGBDMO C[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000357725814 381266337 /nfs/dbraw/zinc/26/63/37/381266337.db2.gz DJUNHYMPEUUDCQ-CHWSQXEVSA-N 1 1 278.352 3.094 20 5 CGBDMO CC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000361252362 381665652 /nfs/dbraw/zinc/66/56/52/381665652.db2.gz QPBJKDIEYGLYAX-CQSZACIVSA-N 1 1 292.379 3.329 20 5 CGBDMO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)(C)C ZINC000361518891 381784509 /nfs/dbraw/zinc/78/45/09/381784509.db2.gz KLFGBQYZOIBZCJ-UHFFFAOYSA-N 1 1 290.367 3.339 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@H]2C2CCC2)cc1 ZINC000418132982 285113645 /nfs/dbraw/zinc/11/36/45/285113645.db2.gz ZYVDOXFGEIMABA-HNNXBMFYSA-N 1 1 292.404 3.312 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccs1)CC2 ZINC000093338263 285142552 /nfs/dbraw/zinc/14/25/52/285142552.db2.gz LKLVJMWEPCZLHV-UHFFFAOYSA-N 1 1 274.345 3.215 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cccs1)CC2 ZINC000093338263 285142554 /nfs/dbraw/zinc/14/25/54/285142554.db2.gz LKLVJMWEPCZLHV-UHFFFAOYSA-N 1 1 274.345 3.215 20 5 CGBDMO CO[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000281801040 195386641 /nfs/dbraw/zinc/38/66/41/195386641.db2.gz VJHNBEIRAOZRBM-PWSUYJOCSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000281801040 195386643 /nfs/dbraw/zinc/38/66/43/195386643.db2.gz VJHNBEIRAOZRBM-PWSUYJOCSA-N 1 1 298.770 3.248 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C)C1 ZINC000505321397 392658449 /nfs/dbraw/zinc/65/84/49/392658449.db2.gz UIPWSEOSUJHLEE-LBPRGKRZSA-N 1 1 278.352 3.225 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000183288288 392755392 /nfs/dbraw/zinc/75/53/92/392755392.db2.gz BTXRLUGKSBYIFS-HOTGVXAUSA-N 1 1 290.363 3.047 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000183288288 392755398 /nfs/dbraw/zinc/75/53/98/392755398.db2.gz BTXRLUGKSBYIFS-HOTGVXAUSA-N 1 1 290.363 3.047 20 5 CGBDMO C[C@@H]1CC[C@@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000190738940 392818002 /nfs/dbraw/zinc/81/80/02/392818002.db2.gz OVXFQFNJTKHJQV-WBMJQRKESA-N 1 1 290.363 3.127 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000511066114 392826169 /nfs/dbraw/zinc/82/61/69/392826169.db2.gz QGMZSMRULSMQJJ-UHFFFAOYSA-N 1 1 288.322 3.408 20 5 CGBDMO C[N@H+]1CCC[C@H]1CCSc1ccc([N+](=O)[O-])cc1F ZINC000193504070 392879258 /nfs/dbraw/zinc/87/92/58/392879258.db2.gz CEPLOYQGJDJQAX-JTQLQIEISA-N 1 1 284.356 3.310 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000525275205 392937614 /nfs/dbraw/zinc/93/76/14/392937614.db2.gz WXQHXSMSWSMVTC-GRYCIOLGSA-N 1 1 280.393 3.482 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000341996159 392995657 /nfs/dbraw/zinc/99/56/57/392995657.db2.gz VNJDSRGCSRILFG-CJNGLKHVSA-N 1 1 290.363 3.158 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@H](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000546833244 393076272 /nfs/dbraw/zinc/07/62/72/393076272.db2.gz JFFYRKYPOHAECV-LBPRGKRZSA-N 1 1 292.379 3.471 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000547957001 393160621 /nfs/dbraw/zinc/16/06/21/393160621.db2.gz LQIMHSCCLFJEFS-UHFFFAOYSA-N 1 1 291.395 3.214 20 5 CGBDMO CC(C)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278249058 393315920 /nfs/dbraw/zinc/31/59/20/393315920.db2.gz OYANIOHFBTVFLT-CYBMUJFWSA-N 1 1 293.323 3.123 20 5 CGBDMO COc1ccc(C[N@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475151590 393378607 /nfs/dbraw/zinc/37/86/07/393378607.db2.gz QWSFYGCBQZPETJ-UPJWGTAASA-N 1 1 292.379 3.470 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@H]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000429582175 393487536 /nfs/dbraw/zinc/48/75/36/393487536.db2.gz ZVDPPTDTYQXJGJ-YPMHNXCESA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@H]1CC[C@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000429592243 393490455 /nfs/dbraw/zinc/49/04/55/393490455.db2.gz SIJNFNWTQXSMJT-WFASDCNBSA-N 1 1 262.353 3.258 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000430225093 393543402 /nfs/dbraw/zinc/54/34/02/393543402.db2.gz LFFANFZWLFVHEK-TXEJJXNPSA-N 1 1 278.352 3.366 20 5 CGBDMO CC[C@@H](c1ccccc1)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000495529484 393777938 /nfs/dbraw/zinc/77/79/38/393777938.db2.gz JXEOGLJAKSZHEI-KRWDZBQOSA-N 1 1 297.358 3.499 20 5 CGBDMO CC[C@@H](c1ccccc1)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000495529484 393777941 /nfs/dbraw/zinc/77/79/41/393777941.db2.gz JXEOGLJAKSZHEI-KRWDZBQOSA-N 1 1 297.358 3.499 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)cs1 ZINC000449531334 393885662 /nfs/dbraw/zinc/88/56/62/393885662.db2.gz BLZQGVYAGOVUBU-TZMCWYRMSA-N 1 1 278.377 3.277 20 5 CGBDMO C[C@@H]1C[NH+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H](C)S1 ZINC000743856758 572692153 /nfs/dbraw/zinc/69/21/53/572692153.db2.gz NICUOPWXIJIONI-NXEZZACHSA-N 1 1 284.356 3.060 20 5 CGBDMO Cn1c2ccccc2[nH+]c1NCc1ccc([N+](=O)[O-])cc1 ZINC000079044568 165141956 /nfs/dbraw/zinc/14/19/56/165141956.db2.gz SSPACEPGEMKQNC-UHFFFAOYSA-N 1 1 282.303 3.094 20 5 CGBDMO CC[C@H](CSC)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000091098051 165257025 /nfs/dbraw/zinc/25/70/25/165257025.db2.gz DYCSGORURIHVHE-SNVBAGLBSA-N 1 1 286.372 3.307 20 5 CGBDMO CC[C@H](CSC)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000091098051 165257028 /nfs/dbraw/zinc/25/70/28/165257028.db2.gz DYCSGORURIHVHE-SNVBAGLBSA-N 1 1 286.372 3.307 20 5 CGBDMO Cc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)on1 ZINC000125586466 287247405 /nfs/dbraw/zinc/24/74/05/287247405.db2.gz WPZGYOVJZIGTKS-NSHDSACASA-N 1 1 275.308 3.050 20 5 CGBDMO Cc1oncc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000129953593 287341898 /nfs/dbraw/zinc/34/18/98/287341898.db2.gz RGCXBBULMZMEBB-SNVBAGLBSA-N 1 1 275.308 3.050 20 5 CGBDMO C[C@@H]1CCC[N@@H+](CCNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000107681089 270050154 /nfs/dbraw/zinc/05/01/54/270050154.db2.gz MHLRPCHNLDSRRL-LLVKDONJSA-N 1 1 297.786 3.392 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C)on1 ZINC000530326231 270199034 /nfs/dbraw/zinc/19/90/34/270199034.db2.gz HPUNYKYADJOHSL-WDZFZDKYSA-N 1 1 287.319 3.084 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@H]1CCCCO1 ZINC000330734045 281020602 /nfs/dbraw/zinc/02/06/02/281020602.db2.gz UJNNCZOBFMMNJL-DZGCQCFKSA-N 1 1 292.379 3.465 20 5 CGBDMO CCc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000532234629 288356592 /nfs/dbraw/zinc/35/65/92/288356592.db2.gz FQVUPPNOOCIARW-LLVKDONJSA-N 1 1 289.335 3.304 20 5 CGBDMO C[C@H]1C[C@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000548754853 289021093 /nfs/dbraw/zinc/02/10/93/289021093.db2.gz SCEQACAPECYKTR-IUCAKERBSA-N 1 1 254.717 3.231 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(F)c1 ZINC000554844795 289312723 /nfs/dbraw/zinc/31/27/23/289312723.db2.gz YOTAZWXQMPVNPE-UHFFFAOYSA-N 1 1 288.322 3.408 20 5 CGBDMO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000567811033 322178619 /nfs/dbraw/zinc/17/86/19/322178619.db2.gz PGAFJIFMTSMPGE-UHFFFAOYSA-N 1 1 258.268 3.103 20 5 CGBDMO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000567811033 322178621 /nfs/dbraw/zinc/17/86/21/322178621.db2.gz PGAFJIFMTSMPGE-UHFFFAOYSA-N 1 1 258.268 3.103 20 5 CGBDMO C[C@@H](C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000183923998 524572576 /nfs/dbraw/zinc/57/25/76/524572576.db2.gz RQKRNGPGDQKAPK-NSHDSACASA-N 1 1 291.376 3.287 20 5 CGBDMO CC1(C)C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCS1 ZINC000177509854 617932078 /nfs/dbraw/zinc/93/20/78/617932078.db2.gz QKTMUCLXMMJJOI-UHFFFAOYSA-N 1 1 284.356 3.061 20 5 CGBDMO CC1(C)C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCS1 ZINC000177509854 617932084 /nfs/dbraw/zinc/93/20/84/617932084.db2.gz QKTMUCLXMMJJOI-UHFFFAOYSA-N 1 1 284.356 3.061 20 5 CGBDMO COc1c(O)ccc(C[N@H+]2CCCCC[C@H]2C)c1[N+](=O)[O-] ZINC000892037065 618500256 /nfs/dbraw/zinc/50/02/56/618500256.db2.gz VRAUGAYIROLPDF-LLVKDONJSA-N 1 1 294.351 3.074 20 5 CGBDMO Cc1nc(C)c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000312477829 619079013 /nfs/dbraw/zinc/07/90/13/619079013.db2.gz KTNWQNOQLNJRTN-SECBINFHSA-N 1 1 275.308 3.050 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1F ZINC000313498087 619175258 /nfs/dbraw/zinc/17/52/58/619175258.db2.gz ISCBRNYEUXZZFE-BETUJISGSA-N 1 1 278.327 3.356 20 5 CGBDMO C[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287396 621670686 /nfs/dbraw/zinc/67/06/86/621670686.db2.gz OWUBCQCZDARMKL-OCCSQVGLSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287396 621670687 /nfs/dbraw/zinc/67/06/87/621670687.db2.gz OWUBCQCZDARMKL-OCCSQVGLSA-N 1 1 291.395 3.118 20 5 CGBDMO Cc1nc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)sc1C ZINC000231885417 623348159 /nfs/dbraw/zinc/34/81/59/623348159.db2.gz MLJJZTJCFBESNS-UHFFFAOYSA-N 1 1 291.376 3.266 20 5 CGBDMO CC[C@@H](CSC)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000091099253 625815831 /nfs/dbraw/zinc/81/58/31/625815831.db2.gz VZSOHOTWAFVYJV-LBPRGKRZSA-N 1 1 286.372 3.307 20 5 CGBDMO CC[C@H](CSC)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000091099254 625815925 /nfs/dbraw/zinc/81/59/25/625815925.db2.gz VZSOHOTWAFVYJV-GFCCVEGCSA-N 1 1 286.372 3.307 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C3CCC3)C2)cc1F ZINC000839679425 626777749 /nfs/dbraw/zinc/77/77/49/626777749.db2.gz GWJJDYNREVQVAH-ZDUSSCGKSA-N 1 1 278.327 3.356 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[N@@H+]1CCC[C@@H]1C ZINC000766273457 627311221 /nfs/dbraw/zinc/31/12/21/627311221.db2.gz PPHZYMSGNCOGLB-KBPBESRZSA-N 1 1 291.395 3.038 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[N@H+]1CCC[C@@H]1C ZINC000766273457 627311224 /nfs/dbraw/zinc/31/12/24/627311224.db2.gz PPHZYMSGNCOGLB-KBPBESRZSA-N 1 1 291.395 3.038 20 5 CGBDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275051 628187958 /nfs/dbraw/zinc/18/79/58/628187958.db2.gz FSHMPIRBJGLTHG-UHOFOFEASA-N 1 1 292.379 3.139 20 5 CGBDMO C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776584711 628220881 /nfs/dbraw/zinc/22/08/81/628220881.db2.gz PDLVPLDOXOQZET-IOASZLSFSA-N 1 1 292.379 3.139 20 5 CGBDMO CCN(CC)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783620450 628732217 /nfs/dbraw/zinc/73/22/17/628732217.db2.gz KAXLGMKEDHVNLH-LLVKDONJSA-N 1 1 299.802 3.068 20 5 CGBDMO CO[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000784364729 628809759 /nfs/dbraw/zinc/80/97/59/628809759.db2.gz HZAXRIMRVARJEM-IINYFYTJSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000784364729 628809761 /nfs/dbraw/zinc/80/97/61/628809761.db2.gz HZAXRIMRVARJEM-IINYFYTJSA-N 1 1 298.770 3.105 20 5 CGBDMO C[C@]1(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCCS1 ZINC000862247147 629330002 /nfs/dbraw/zinc/33/00/02/629330002.db2.gz XBYCNPZCNSKTTE-OAHLLOKOSA-N 1 1 292.404 3.239 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccnc1F ZINC000794833537 629584126 /nfs/dbraw/zinc/58/41/26/629584126.db2.gz GIRGLLIAVZQXES-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO CC(C)(F)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000865654640 630256973 /nfs/dbraw/zinc/25/69/73/630256973.db2.gz TWQFSSYTWDLIPR-UHFFFAOYSA-N 1 1 260.696 3.086 20 5 CGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H]3C[C@@H]32)c1 ZINC000815079074 631712972 /nfs/dbraw/zinc/71/29/72/631712972.db2.gz MAGHJAWUJASQLR-PELKAZGASA-N 1 1 286.253 3.208 20 5 CGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H]3C[C@@H]32)c1 ZINC000815079074 631712973 /nfs/dbraw/zinc/71/29/73/631712973.db2.gz MAGHJAWUJASQLR-PELKAZGASA-N 1 1 286.253 3.208 20 5 CGBDMO CO[C@H]1CC[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000821391713 632763019 /nfs/dbraw/zinc/76/30/19/632763019.db2.gz PQGVPODLXPSETE-AAEUAGOBSA-N 1 1 298.770 3.248 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CF)C2)c(Cl)c1 ZINC000880299156 635969244 /nfs/dbraw/zinc/96/92/44/635969244.db2.gz PHFJHDYXGXLEOU-VIFPVBQESA-N 1 1 272.707 3.040 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](CF)C2)c(Cl)c1 ZINC000880299156 635969246 /nfs/dbraw/zinc/96/92/46/635969246.db2.gz PHFJHDYXGXLEOU-VIFPVBQESA-N 1 1 272.707 3.040 20 5 CGBDMO C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052423 633976206 /nfs/dbraw/zinc/97/62/06/633976206.db2.gz RTWPOCDYQWVSOI-VHSXEESVSA-N 1 1 277.299 3.474 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cccc(F)n1 ZINC000873093935 634245430 /nfs/dbraw/zinc/24/54/30/634245430.db2.gz XPEMZUQQAHCHEQ-UHFFFAOYSA-N 1 1 289.310 3.036 20 5 CGBDMO Cc1c(C[NH+]2CC(CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000877579962 635100244 /nfs/dbraw/zinc/10/02/44/635100244.db2.gz AMXRSSQESXDQIY-UHFFFAOYSA-N 1 1 288.269 3.287 20 5 CGBDMO COCCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841893763 635248328 /nfs/dbraw/zinc/24/83/28/635248328.db2.gz ITCREACZCLBHKN-UHFFFAOYSA-N 1 1 286.759 3.107 20 5 CGBDMO CSC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000879096062 635701144 /nfs/dbraw/zinc/70/11/44/635701144.db2.gz NJTMVASEXONRRU-UHFFFAOYSA-N 1 1 284.356 3.061 20 5 CGBDMO Cc1ncc([C@@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])s1 ZINC000879251938 635737322 /nfs/dbraw/zinc/73/73/22/635737322.db2.gz UYOQLEQPBQSJAF-MRVPVSSYSA-N 1 1 295.339 3.350 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000885929511 637315914 /nfs/dbraw/zinc/31/59/14/637315914.db2.gz REEGKAPAUKIGSI-OAHLLOKOSA-N 1 1 283.331 3.327 20 5 CGBDMO C[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])Cc2ccccc21 ZINC000885944454 637325637 /nfs/dbraw/zinc/32/56/37/637325637.db2.gz QGVUQFBHSDJHMX-LBPRGKRZSA-N 1 1 283.331 3.109 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])Cc2ccccc21 ZINC000885944454 637325641 /nfs/dbraw/zinc/32/56/41/637325641.db2.gz QGVUQFBHSDJHMX-LBPRGKRZSA-N 1 1 283.331 3.109 20 5 CGBDMO Cc1ccc(C[C@H](C)[N@@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886017058 637366136 /nfs/dbraw/zinc/36/61/36/637366136.db2.gz RDOXELXHGMQJEH-AWEZNQCLSA-N 1 1 299.374 3.361 20 5 CGBDMO C[N@H+](CCCF)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000887141448 637760293 /nfs/dbraw/zinc/76/02/93/637760293.db2.gz URAVJRQVXFMPOT-UHFFFAOYSA-N 1 1 293.298 3.041 20 5 CGBDMO C[N@@H+](CCCF)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000887141448 637760298 /nfs/dbraw/zinc/76/02/98/637760298.db2.gz URAVJRQVXFMPOT-UHFFFAOYSA-N 1 1 293.298 3.041 20 5 CGBDMO CN(C[C@H]1CCC[N@H+]1C)c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853697872 637894736 /nfs/dbraw/zinc/89/47/36/637894736.db2.gz WSMALMYTYAWTPT-LLVKDONJSA-N 1 1 299.321 3.063 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCSC[C@H]2C2CC2)cs1 ZINC000933916563 639505626 /nfs/dbraw/zinc/50/56/26/639505626.db2.gz SOJBSBPOOKZOOH-LBPRGKRZSA-N 1 1 298.433 3.374 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCSC[C@@H]2C2CC2)cs1 ZINC000933916561 639507051 /nfs/dbraw/zinc/50/70/51/639507051.db2.gz SOJBSBPOOKZOOH-GFCCVEGCSA-N 1 1 298.433 3.374 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000933919122 639508069 /nfs/dbraw/zinc/50/80/69/639508069.db2.gz YUHSDOYZKILXBU-OAHLLOKOSA-N 1 1 292.404 3.312 20 5 CGBDMO CO[C@H]1CCC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254557842 806449765 /nfs/dbraw/zinc/44/97/65/806449765.db2.gz CKAPWDMMXORJHY-ZFWWWQNUSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC2(CC2)C1 ZINC001254552314 806450073 /nfs/dbraw/zinc/45/00/73/806450073.db2.gz KQLLEWSLXMWGQR-LBPRGKRZSA-N 1 1 260.337 3.012 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cncs1 ZINC001254565187 806451561 /nfs/dbraw/zinc/45/15/61/806451561.db2.gz NPHLMAOVCMFYFD-NSHDSACASA-N 1 1 291.376 3.114 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2occc2C1 ZINC001254563801 806451839 /nfs/dbraw/zinc/45/18/39/806451839.db2.gz CYNSIHASGJWWRV-GFCCVEGCSA-N 1 1 286.331 3.177 20 5 CGBDMO C[C@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254593253 806457140 /nfs/dbraw/zinc/45/71/40/806457140.db2.gz KOQWQRWTNHREJP-LRDDRELGSA-N 1 1 274.364 3.184 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H]3CCC[C@@H]3C1)C2 ZINC001254594604 806456845 /nfs/dbraw/zinc/45/68/45/806456845.db2.gz RVJTUSLGICBUAG-DXCKQFNASA-N 1 1 286.375 3.184 20 5 CGBDMO CC(C)(CF)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC001255065336 806535641 /nfs/dbraw/zinc/53/56/41/806535641.db2.gz HGRBKUMSZKOYDE-UHFFFAOYSA-N 1 1 260.696 3.086 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1CCNc1c(F)cccc1[N+](=O)[O-] ZINC001162476064 806594510 /nfs/dbraw/zinc/59/45/10/806594510.db2.gz KXENEAJYBVPUSG-LBPRGKRZSA-N 1 1 295.358 3.410 20 5 CGBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000037079977 798857576 /nfs/dbraw/zinc/85/75/76/798857576.db2.gz DDGQCRATLBCMQK-UHFFFAOYSA-N 1 1 254.717 3.233 20 5 CGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000037079977 798857583 /nfs/dbraw/zinc/85/75/83/798857583.db2.gz DDGQCRATLBCMQK-UHFFFAOYSA-N 1 1 254.717 3.233 20 5 CGBDMO C[C@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000159420027 799074876 /nfs/dbraw/zinc/07/48/76/799074876.db2.gz IWJMTTCAOWSYFW-VIFPVBQESA-N 1 1 299.168 3.199 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000159420027 799074882 /nfs/dbraw/zinc/07/48/82/799074882.db2.gz IWJMTTCAOWSYFW-VIFPVBQESA-N 1 1 299.168 3.199 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](C(F)F)C2)c1 ZINC000707166862 799973953 /nfs/dbraw/zinc/97/39/53/799973953.db2.gz HGBUNPMANXOJMJ-MRVPVSSYSA-N 1 1 290.697 3.335 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H](C(F)F)C2)c1 ZINC000707166862 799973956 /nfs/dbraw/zinc/97/39/56/799973956.db2.gz HGBUNPMANXOJMJ-MRVPVSSYSA-N 1 1 290.697 3.335 20 5 CGBDMO C[C@H]1[C@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000719599498 800244626 /nfs/dbraw/zinc/24/46/26/800244626.db2.gz JQUFRNKOEHHXCB-WCBMZHEXSA-N 1 1 285.294 3.037 20 5 CGBDMO C[C@@H]1CN(c2sccc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001164146206 806901465 /nfs/dbraw/zinc/90/14/65/806901465.db2.gz QIZQOUXSZZSKOL-LLVKDONJSA-N 1 1 295.408 3.109 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001119375988 802656590 /nfs/dbraw/zinc/65/65/90/802656590.db2.gz VSXJFMIYEBHROY-CHWSQXEVSA-N 1 1 275.352 3.002 20 5 CGBDMO CC(C)P(CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)C ZINC001169001252 807549511 /nfs/dbraw/zinc/54/95/11/807549511.db2.gz DZGRXKOTLHOPPC-KBPBESRZSA-N 1 1 288.372 3.320 20 5 CGBDMO C[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169007449 807551303 /nfs/dbraw/zinc/55/13/03/807551303.db2.gz NWCILOGBMVJJHI-IPYPFGDCSA-N 1 1 274.364 3.051 20 5 CGBDMO C[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008657 807551544 /nfs/dbraw/zinc/55/15/44/807551544.db2.gz SUAPLHGCYNDSJJ-VNHYZAJKSA-N 1 1 274.364 3.051 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@H]2c2cccnc2)C1 ZINC001169021868 807554027 /nfs/dbraw/zinc/55/40/27/807554027.db2.gz ASWRGDVIOMMHSX-BMFZPTHFSA-N 1 1 289.379 3.054 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC001169034189 807555976 /nfs/dbraw/zinc/55/59/76/807555976.db2.gz FWTMBBXHSVRGKP-DAXOMENPSA-N 1 1 292.354 3.408 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCC3(CC(F)C3)CC2)C1 ZINC001169039932 807557520 /nfs/dbraw/zinc/55/75/20/807557520.db2.gz VYHKMYKJFFAKGX-JLVJUDLZSA-N 1 1 284.375 3.036 20 5 CGBDMO COC1(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC001262006440 807804972 /nfs/dbraw/zinc/80/49/72/807804972.db2.gz RFKWUEQFGHMWNF-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO COC1(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC001262006440 807804981 /nfs/dbraw/zinc/80/49/81/807804981.db2.gz RFKWUEQFGHMWNF-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@@H]1CC[N@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170355544 807827824 /nfs/dbraw/zinc/82/78/24/807827824.db2.gz JKGSYBMNVSGOAK-CHWSQXEVSA-N 1 1 292.379 3.266 20 5 CGBDMO C[C@@H]1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906873 808475845 /nfs/dbraw/zinc/47/58/45/808475845.db2.gz ZDJQUYYCRAJDQF-DOMZBBRYSA-N 1 1 274.364 3.184 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC001173226498 808541029 /nfs/dbraw/zinc/54/10/29/808541029.db2.gz MFCJULCRWFIWBS-CHWSQXEVSA-N 1 1 262.353 3.400 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]2C[C@H]21 ZINC001173233238 808542968 /nfs/dbraw/zinc/54/29/68/808542968.db2.gz UYWWPVIWZBKVSX-OSAQELSMSA-N 1 1 260.337 3.010 20 5 CGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC001186610933 810349516 /nfs/dbraw/zinc/34/95/16/810349516.db2.gz DGFGXPDVQZPQBS-LLVKDONJSA-N 1 1 283.347 3.266 20 5 CGBDMO Cc1ccc(NC[C@H]2CC[N@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC001187242877 810391629 /nfs/dbraw/zinc/39/16/29/810391629.db2.gz OVWZGTBGVRSLBL-CQSZACIVSA-N 1 1 289.379 3.332 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC001195289374 811237576 /nfs/dbraw/zinc/23/75/76/811237576.db2.gz MAKVVOYLOQLAHS-SDDRHHMPSA-N 1 1 278.352 3.080 20 5 CGBDMO CC[C@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2C)C[C@H](CC)O1 ZINC001195298703 811238772 /nfs/dbraw/zinc/23/87/72/811238772.db2.gz HHXDDMGXMHQQPH-GJZGRUSLSA-N 1 1 292.379 3.293 20 5 CGBDMO Cc1cc(O[C@@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001226843134 817481840 /nfs/dbraw/zinc/48/18/40/817481840.db2.gz GKKKWGUDBYDCGR-CQSZACIVSA-N 1 1 278.352 3.155 20 5 CGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c(Cl)cccc1[N+](=O)[O-])C2 ZINC001228001903 817779402 /nfs/dbraw/zinc/77/94/02/817779402.db2.gz FEJJXSHOBNTLSS-JGPRNRPPSA-N 1 1 296.754 3.252 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001228570298 817940339 /nfs/dbraw/zinc/94/03/39/817940339.db2.gz BFVSXALRUUUTMY-OAHLLOKOSA-N 1 1 292.379 3.463 20 5 CGBDMO CC(C)[NH+]1CC(Oc2ccc3nc4ccccc4nc3c2)C1 ZINC001228740705 817995128 /nfs/dbraw/zinc/99/51/28/817995128.db2.gz KWALUQMOQJXRHF-UHFFFAOYSA-N 1 1 293.370 3.254 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218872 818282719 /nfs/dbraw/zinc/28/27/19/818282719.db2.gz NQOFWOVHSQIWOT-INIZCTEOSA-N 1 1 293.370 3.004 20 5 CGBDMO Cc1cc(O[C@@H]2CCC[N@H+](C)CC2)c(C)c(C)c1[N+](=O)[O-] ZINC001234871808 818941898 /nfs/dbraw/zinc/94/18/98/818941898.db2.gz OBVDFMGBNDLBER-CQSZACIVSA-N 1 1 292.379 3.383 20 5 CGBDMO Cc1cccnc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001460930706 937553889 /nfs/dbraw/zinc/55/38/89/937553889.db2.gz FOKVQZNBTSDDJG-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC001229375922 932142431 /nfs/dbraw/zinc/14/24/31/932142431.db2.gz BPKNHGGOQWQMFL-ZSBIGDGJSA-N 1 1 296.754 3.252 20 5 CGBDMO Cc1cc(NCC[N@@H+]2CCC[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC001306931461 932896565 /nfs/dbraw/zinc/89/65/65/932896565.db2.gz XDTDXSQKFCKLMO-LLVKDONJSA-N 1 1 295.358 3.186 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001324061838 934455043 /nfs/dbraw/zinc/45/50/43/934455043.db2.gz UBLNIBWZSKKANJ-IOASZLSFSA-N 1 1 290.363 3.157 20 5 CGBDMO CC[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001559769407 938235266 /nfs/dbraw/zinc/23/52/66/938235266.db2.gz OCGNKFNXZLRLPX-QWHCGFSZSA-N 1 1 278.352 3.094 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)C[C@@H]1C ZINC001559913672 938238874 /nfs/dbraw/zinc/23/88/74/938238874.db2.gz RHYQLTXUUSTXLK-NSHDSACASA-N 1 1 278.352 3.224 20 5 CGBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@@H]1C=CCC1 ZINC001560526330 938261705 /nfs/dbraw/zinc/26/17/05/938261705.db2.gz MOGVWYUZMMKYKB-SECBINFHSA-N 1 1 297.152 3.166 20 5 CGBDMO CC[C@H]([NH2+][C@H](C)c1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000414119106 529667642 /nfs/dbraw/zinc/66/76/42/529667642.db2.gz WEBJGPJRTDBBRE-RISCZKNCSA-N 1 1 288.351 3.130 20 5 CGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000426567526 529820982 /nfs/dbraw/zinc/82/09/82/529820982.db2.gz WJBQWLZUIFLFGN-IQCBXXCUSA-N 1 1 260.337 3.338 20 5 CGBDMO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266881290 282301189 /nfs/dbraw/zinc/30/11/89/282301189.db2.gz PMFCXNXMWXMTGH-QWRGUYRKSA-N 1 1 288.351 3.049 20 5 CGBDMO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCSC ZINC000592529320 346997432 /nfs/dbraw/zinc/99/74/32/346997432.db2.gz IVKRBNSODOXBER-SOFGYWHQSA-N 1 1 280.393 3.293 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCOC1 ZINC000593070675 347035381 /nfs/dbraw/zinc/03/53/81/347035381.db2.gz OWDUGOBVMRFZTF-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCOC1 ZINC000593070675 347035385 /nfs/dbraw/zinc/03/53/85/347035385.db2.gz OWDUGOBVMRFZTF-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO CC(C)C[N@@H+](C)CCCNc1sccc1[N+](=O)[O-] ZINC000593480201 347083796 /nfs/dbraw/zinc/08/37/96/347083796.db2.gz PCAFMJAVYSFHMN-UHFFFAOYSA-N 1 1 271.386 3.046 20 5 CGBDMO CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000051281558 345088625 /nfs/dbraw/zinc/08/86/25/345088625.db2.gz PMNPZBUSQMMYCX-UHFFFAOYSA-N 1 1 278.352 3.096 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCOC(C)(C)C ZINC000067716259 345329751 /nfs/dbraw/zinc/32/97/51/345329751.db2.gz RWSQEVFFQPEVLG-LBPRGKRZSA-N 1 1 280.368 3.403 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cccc(O)c1 ZINC000080920328 345689069 /nfs/dbraw/zinc/68/90/69/345689069.db2.gz YXHLLRXKRLQLKC-GFCCVEGCSA-N 1 1 286.331 3.493 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083216323 345725225 /nfs/dbraw/zinc/72/52/25/345725225.db2.gz BKQVAJNEUBEWFC-MNOVXSKESA-N 1 1 289.335 3.356 20 5 CGBDMO CC(C)CC[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586760777 346732800 /nfs/dbraw/zinc/73/28/00/346732800.db2.gz BMRMZPXEAZPART-UHFFFAOYSA-N 1 1 272.295 3.351 20 5 CGBDMO CC(C)CC[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586760777 346732803 /nfs/dbraw/zinc/73/28/03/346732803.db2.gz BMRMZPXEAZPART-UHFFFAOYSA-N 1 1 272.295 3.351 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)s1 ZINC000594604078 347201157 /nfs/dbraw/zinc/20/11/57/347201157.db2.gz YAOWESYNNZXEAH-GHMZBOCLSA-N 1 1 281.381 3.085 20 5 CGBDMO COc1cccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c1C ZINC000594998519 347252846 /nfs/dbraw/zinc/25/28/46/347252846.db2.gz IKRYDRVHNCHYNP-UHFFFAOYSA-N 1 1 292.360 3.263 20 5 CGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595291462 347287582 /nfs/dbraw/zinc/28/75/82/347287582.db2.gz YUTZRMGBSISRQL-UBSAEIQESA-N 1 1 260.337 3.073 20 5 CGBDMO C[C@H]1SCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1C ZINC000595323478 347292038 /nfs/dbraw/zinc/29/20/38/347292038.db2.gz YTRJXGHHRIQEOB-VHSXEESVSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@H]1SCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1C ZINC000595323478 347292041 /nfs/dbraw/zinc/29/20/41/347292041.db2.gz YTRJXGHHRIQEOB-VHSXEESVSA-N 1 1 284.356 3.060 20 5 CGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595330977 347292837 /nfs/dbraw/zinc/29/28/37/347292837.db2.gz GPSSAVCHZLJOCD-ZWNOBZJWSA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595618981 347328575 /nfs/dbraw/zinc/32/85/75/347328575.db2.gz XLJRRMYSYIKZKY-LRDDRELGSA-N 1 1 290.363 3.157 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595618981 347328577 /nfs/dbraw/zinc/32/85/77/347328577.db2.gz XLJRRMYSYIKZKY-LRDDRELGSA-N 1 1 290.363 3.157 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595779709 347355462 /nfs/dbraw/zinc/35/54/62/347355462.db2.gz GMQQQINCAGBPNH-FRRDWIJNSA-N 1 1 278.352 3.155 20 5 CGBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000595856282 347368118 /nfs/dbraw/zinc/36/81/18/347368118.db2.gz AGYRMFZJMYWKTQ-PHTAMDTFSA-N 1 1 260.337 3.358 20 5 CGBDMO Cc1c(C[N@@H+](C)CC2=CCSC2)cccc1[N+](=O)[O-] ZINC000595895759 347370984 /nfs/dbraw/zinc/37/09/84/347370984.db2.gz UTQASRBMJLZVTF-UHFFFAOYSA-N 1 1 278.377 3.008 20 5 CGBDMO COc1cc(C[N@@H+](C)C[C@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000595910231 347371745 /nfs/dbraw/zinc/37/17/45/347371745.db2.gz RXPYYYXUKWXHFV-GFCCVEGCSA-N 1 1 278.352 3.081 20 5 CGBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CC1(C)C ZINC000595913449 347372705 /nfs/dbraw/zinc/37/27/05/347372705.db2.gz UKLYDOCGSUYOOS-JTQLQIEISA-N 1 1 254.355 3.134 20 5 CGBDMO Cc1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596157012 347392042 /nfs/dbraw/zinc/39/20/42/347392042.db2.gz WKYFBRVAPQJIJC-WCBMZHEXSA-N 1 1 281.381 3.002 20 5 CGBDMO C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000597227004 347557571 /nfs/dbraw/zinc/55/75/71/347557571.db2.gz ZEZAENGJOONHEY-RKWPFYGESA-N 1 1 290.363 3.107 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599671692 347763036 /nfs/dbraw/zinc/76/30/36/347763036.db2.gz RBOOEPLSMFHDMZ-BBRMVZONSA-N 1 1 290.363 3.368 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553523 347754461 /nfs/dbraw/zinc/75/44/61/347754461.db2.gz YBJMEAAFIWKJMF-OLZOCXBDSA-N 1 1 296.367 3.204 20 5 CGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCC[C@H]3CC3(F)F)c2c1 ZINC000601199229 347879455 /nfs/dbraw/zinc/87/94/55/347879455.db2.gz OOWWMGKVRYSRGQ-VIFPVBQESA-N 1 1 293.273 3.022 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(C)o1 ZINC000601304057 347889934 /nfs/dbraw/zinc/88/99/34/347889934.db2.gz LFCQGNQTBZFLMU-LLVKDONJSA-N 1 1 290.319 3.356 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCC[C@@H]2CCO2)C2CC2)c1 ZINC000602441722 347958915 /nfs/dbraw/zinc/95/89/15/347958915.db2.gz YATRQURNKGTLLY-MRXNPFEDSA-N 1 1 290.363 3.128 20 5 CGBDMO CCCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000603873841 348101266 /nfs/dbraw/zinc/10/12/66/348101266.db2.gz CSKUSZGRMQBPTA-UHFFFAOYSA-N 1 1 262.353 3.402 20 5 CGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582305 348391488 /nfs/dbraw/zinc/39/14/88/348391488.db2.gz GJYDGSOMJMVVHE-GHMZBOCLSA-N 1 1 289.335 3.356 20 5 CGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000610682721 348396203 /nfs/dbraw/zinc/39/62/03/348396203.db2.gz NMRUPRUCUFLZHO-OKILXGFUSA-N 1 1 290.363 3.096 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@H](C)[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000611502097 348456733 /nfs/dbraw/zinc/45/67/33/348456733.db2.gz NBTNCEXCMJLYAK-GWCFXTLKSA-N 1 1 266.316 3.083 20 5 CGBDMO Cc1c(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000611502097 348456736 /nfs/dbraw/zinc/45/67/36/348456736.db2.gz NBTNCEXCMJLYAK-GWCFXTLKSA-N 1 1 266.316 3.083 20 5 CGBDMO C[C@H](NCC[C@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000271728608 191295723 /nfs/dbraw/zinc/29/57/23/191295723.db2.gz MOOMDJJVOCPHSY-UONOGXRCSA-N 1 1 291.395 3.120 20 5 CGBDMO Cc1cc(NCC[C@H]2CCC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000413440930 235278178 /nfs/dbraw/zinc/27/81/78/235278178.db2.gz PCPTYRCAKCTCQO-GFCCVEGCSA-N 1 1 295.358 3.186 20 5 CGBDMO CCc1nocc1C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000293538863 198674152 /nfs/dbraw/zinc/67/41/52/198674152.db2.gz XTIQPOMISLXAJG-LLVKDONJSA-N 1 1 289.335 3.338 20 5 CGBDMO CCc1nocc1C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000293538863 198674154 /nfs/dbraw/zinc/67/41/54/198674154.db2.gz XTIQPOMISLXAJG-LLVKDONJSA-N 1 1 289.335 3.338 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CCCC1 ZINC000341973544 216173361 /nfs/dbraw/zinc/17/33/61/216173361.db2.gz HDGWAYSFXVXWEG-UHFFFAOYSA-N 1 1 278.352 3.368 20 5 CGBDMO Cc1ccc(NCC[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301566721 201071409 /nfs/dbraw/zinc/07/14/09/201071409.db2.gz ZJZXKWBRZHGGQO-CYBMUJFWSA-N 1 1 277.368 3.047 20 5 CGBDMO CO[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000451564604 240327667 /nfs/dbraw/zinc/32/76/67/240327667.db2.gz KWJXEDLRRFVWIX-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000451564604 240327670 /nfs/dbraw/zinc/32/76/70/240327670.db2.gz KWJXEDLRRFVWIX-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451648252 240339198 /nfs/dbraw/zinc/33/91/98/240339198.db2.gz OXBHDNZELWMCIK-CQSZACIVSA-N 1 1 296.367 3.061 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451648252 240339204 /nfs/dbraw/zinc/33/92/04/240339204.db2.gz OXBHDNZELWMCIK-CQSZACIVSA-N 1 1 296.367 3.061 20 5 CGBDMO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000453250646 240794357 /nfs/dbraw/zinc/79/43/57/240794357.db2.gz YHFVKNSUCCKMIV-SMDDNHRTSA-N 1 1 288.351 3.130 20 5 CGBDMO CC[C@]1(C)CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000464782275 242449917 /nfs/dbraw/zinc/44/99/17/242449917.db2.gz WLUDJJZKGGUNRU-MRXNPFEDSA-N 1 1 292.379 3.486 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H](C2CC2)C1 ZINC000537651145 376192484 /nfs/dbraw/zinc/19/24/84/376192484.db2.gz YIZJKIFZEZTANC-QTLSWZBMSA-N 1 1 272.348 3.340 20 5 CGBDMO CCCc1[nH+]ccn1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093634128 370148207 /nfs/dbraw/zinc/14/82/07/370148207.db2.gz MMHAYBBZTOFOFA-UHFFFAOYSA-N 1 1 279.727 3.446 20 5 CGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000133336157 371244106 /nfs/dbraw/zinc/24/41/06/371244106.db2.gz MJCNTESOWNWUKU-UHFFFAOYSA-N 1 1 286.278 3.181 20 5 CGBDMO COCCCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135238170 371404651 /nfs/dbraw/zinc/40/46/51/371404651.db2.gz LEZNPKGHNRWHHT-UHFFFAOYSA-N 1 1 292.379 3.376 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)CCNc1c(C)cccc1[N+](=O)[O-] ZINC000220304381 376207501 /nfs/dbraw/zinc/20/75/01/376207501.db2.gz BMHQQHUMFPWHPO-GFCCVEGCSA-N 1 1 265.357 3.045 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(F)c(F)cc2F)cc1 ZINC000135916515 371454457 /nfs/dbraw/zinc/45/44/57/371454457.db2.gz DGEYDNILFFHFQM-UHFFFAOYSA-N 1 1 296.248 3.302 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153218790 371757337 /nfs/dbraw/zinc/75/73/37/371757337.db2.gz VEBUNMYGNQMYBT-BETUJISGSA-N 1 1 290.363 3.225 20 5 CGBDMO CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000422837636 371834490 /nfs/dbraw/zinc/83/44/90/371834490.db2.gz MPQYCRGYTQIFCG-XPKDYRNWSA-N 1 1 291.395 3.024 20 5 CGBDMO CC[C@]1(C)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000344275450 217128859 /nfs/dbraw/zinc/12/88/59/217128859.db2.gz SNWVEONCQBUYPE-OAHLLOKOSA-N 1 1 278.352 3.225 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000428452033 372205349 /nfs/dbraw/zinc/20/53/49/372205349.db2.gz IRQVDMVVROQQED-UONOGXRCSA-N 1 1 260.337 3.278 20 5 CGBDMO CSC[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000429282596 372336335 /nfs/dbraw/zinc/33/63/35/372336335.db2.gz FSZKSNCKFWSXTK-CYBMUJFWSA-N 1 1 280.393 3.170 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000166241951 372568376 /nfs/dbraw/zinc/56/83/76/372568376.db2.gz ALFVYKVHKQEQSJ-UHFFFAOYSA-N 1 1 278.258 3.163 20 5 CGBDMO COC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172180528 372921171 /nfs/dbraw/zinc/92/11/71/372921171.db2.gz ITACYTNFXJKRPB-NSHDSACASA-N 1 1 298.770 3.107 20 5 CGBDMO CC(C)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000446721161 373345974 /nfs/dbraw/zinc/34/59/74/373345974.db2.gz ZSUPEAJCCKJDMA-NSHDSACASA-N 1 1 289.335 3.214 20 5 CGBDMO CC[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000446736673 373355166 /nfs/dbraw/zinc/35/51/66/373355166.db2.gz WCPMARGIIWCDBA-JTQLQIEISA-N 1 1 268.744 3.480 20 5 CGBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000301127861 373669182 /nfs/dbraw/zinc/66/91/82/373669182.db2.gz XSEPABGYRXAZSA-VXGBXAGGSA-N 1 1 295.358 3.266 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H]1C1CC1 ZINC000449425568 373698568 /nfs/dbraw/zinc/69/85/68/373698568.db2.gz HVWLEPXSWUATJQ-CKDIWJPDSA-N 1 1 272.348 3.482 20 5 CGBDMO COC[C@H](C)[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000179370186 373862021 /nfs/dbraw/zinc/86/20/21/373862021.db2.gz XOMFWUKVPCJDKY-LBPRGKRZSA-N 1 1 280.368 3.185 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000302750290 373952189 /nfs/dbraw/zinc/95/21/89/373952189.db2.gz VRKVDDHADWTBOR-ZDUSSCGKSA-N 1 1 278.352 3.368 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000182076861 374214829 /nfs/dbraw/zinc/21/48/29/374214829.db2.gz DPQDKBRTMQORPL-UHFFFAOYSA-N 1 1 256.733 3.479 20 5 CGBDMO CCC(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000311233526 374235321 /nfs/dbraw/zinc/23/53/21/374235321.db2.gz RXBXHQHCAINAAD-UHFFFAOYSA-N 1 1 254.305 3.354 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000182593506 374296031 /nfs/dbraw/zinc/29/60/31/374296031.db2.gz WSKLZTHAWGCIMH-FRRDWIJNSA-N 1 1 278.352 3.073 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000182593506 374296038 /nfs/dbraw/zinc/29/60/38/374296038.db2.gz WSKLZTHAWGCIMH-FRRDWIJNSA-N 1 1 278.352 3.073 20 5 CGBDMO CC[C@@H](N[C@H](C)C[N@@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000314870280 374323201 /nfs/dbraw/zinc/32/32/01/374323201.db2.gz FUSARQDZHLZTDV-CZUORRHYSA-N 1 1 293.411 3.364 20 5 CGBDMO CC[C@@H]([NH2+][C@H](C)CN(C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000314870280 374323207 /nfs/dbraw/zinc/32/32/07/374323207.db2.gz FUSARQDZHLZTDV-CZUORRHYSA-N 1 1 293.411 3.364 20 5 CGBDMO C[C@H](NCC[N@H+]1CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000453412147 374475354 /nfs/dbraw/zinc/47/53/54/374475354.db2.gz XUCQJERSBXGSTI-ZDUSSCGKSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@H]([NH2+]CCN1CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000453412147 374475356 /nfs/dbraw/zinc/47/53/56/374475356.db2.gz XUCQJERSBXGSTI-ZDUSSCGKSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000475154601 375130443 /nfs/dbraw/zinc/13/04/43/375130443.db2.gz DDVWHZUCPNUNCR-UPJWGTAASA-N 1 1 262.353 3.461 20 5 CGBDMO Cc1ccc(C[N@H+](C)[C@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000507252767 375693193 /nfs/dbraw/zinc/69/31/93/375693193.db2.gz NZLWXCBTGPVWPH-GFCCVEGCSA-N 1 1 250.342 3.380 20 5 CGBDMO C[C@@H]1C[C@@H](C)[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509671986 375781895 /nfs/dbraw/zinc/78/18/95/375781895.db2.gz SDJBZPVMYYRLLA-RKDXNWHRSA-N 1 1 270.279 3.103 20 5 CGBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509671986 375781901 /nfs/dbraw/zinc/78/19/01/375781901.db2.gz SDJBZPVMYYRLLA-RKDXNWHRSA-N 1 1 270.279 3.103 20 5 CGBDMO CC(C)CCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000525875395 375889009 /nfs/dbraw/zinc/88/90/09/375889009.db2.gz USOHPZGPUVIRMP-UHFFFAOYSA-N 1 1 262.353 3.389 20 5 CGBDMO CC(C)(C)CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534509112 375990764 /nfs/dbraw/zinc/99/07/64/375990764.db2.gz DAUZMFIUGJYJER-UHFFFAOYSA-N 1 1 262.353 3.389 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000217366886 376173111 /nfs/dbraw/zinc/17/31/11/376173111.db2.gz YZBSBRAYEWUAMW-SNVBAGLBSA-N 1 1 285.775 3.390 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000245532459 376845050 /nfs/dbraw/zinc/84/50/50/376845050.db2.gz UOVOLOIVTWEHFW-OLZOCXBDSA-N 1 1 292.379 3.464 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000245532459 376845054 /nfs/dbraw/zinc/84/50/54/376845054.db2.gz UOVOLOIVTWEHFW-OLZOCXBDSA-N 1 1 292.379 3.464 20 5 CGBDMO CC[C@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000247559481 377224395 /nfs/dbraw/zinc/22/43/95/377224395.db2.gz QPPOPXVEDSFSQW-RISCZKNCSA-N 1 1 280.393 3.483 20 5 CGBDMO Cc1cnccc1CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000563052210 377396108 /nfs/dbraw/zinc/39/61/08/377396108.db2.gz HLZFBZHETNDWFC-UHFFFAOYSA-N 1 1 299.374 3.015 20 5 CGBDMO CC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000341184592 377436303 /nfs/dbraw/zinc/43/63/03/377436303.db2.gz NHRVOSSZKXOWCF-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C)C1 ZINC000251566996 377589051 /nfs/dbraw/zinc/58/90/51/377589051.db2.gz ANHYXAXCQSCWBR-QWHCGFSZSA-N 1 1 277.368 3.127 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000252672969 377647389 /nfs/dbraw/zinc/64/73/89/377647389.db2.gz FTMRZTHFYRGUOM-QWRGUYRKSA-N 1 1 295.770 3.287 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000343006516 377880028 /nfs/dbraw/zinc/88/00/28/377880028.db2.gz BWZGZTKZVJVGBJ-OAHLLOKOSA-N 1 1 290.363 3.368 20 5 CGBDMO CCC[N@@H+](CC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270637192 378379606 /nfs/dbraw/zinc/37/96/06/378379606.db2.gz RHWBNMJDLLIXRF-UHFFFAOYSA-N 1 1 289.335 3.482 20 5 CGBDMO Cc1[nH+]ccn1CCCOc1cc(C)c([N+](=O)[O-])cc1F ZINC000274761825 378890796 /nfs/dbraw/zinc/89/07/96/378890796.db2.gz SSICUCVZTMNNBS-UHFFFAOYSA-N 1 1 293.298 3.016 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347390675 218216886 /nfs/dbraw/zinc/21/68/86/218216886.db2.gz SPFCPYFHWDICQS-GXFFZTMASA-N 1 1 252.289 3.090 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](C)(F)C1 ZINC000347390675 218216888 /nfs/dbraw/zinc/21/68/88/218216888.db2.gz SPFCPYFHWDICQS-GXFFZTMASA-N 1 1 252.289 3.090 20 5 CGBDMO C[C@@H]([NH2+]Cc1cc(O)cc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000349568072 379309670 /nfs/dbraw/zinc/30/96/70/379309670.db2.gz KWICYHPEHIVYSI-SNVBAGLBSA-N 1 1 290.294 3.290 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000349964979 379459936 /nfs/dbraw/zinc/45/99/36/379459936.db2.gz FFFWYNAFHNHLKB-AWEZNQCLSA-N 1 1 260.337 3.135 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccoc1 ZINC000350035148 379482730 /nfs/dbraw/zinc/48/27/30/379482730.db2.gz NQQFXRIJHWNMOZ-NSHDSACASA-N 1 1 260.293 3.381 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccoc1 ZINC000350035148 379482742 /nfs/dbraw/zinc/48/27/42/379482742.db2.gz NQQFXRIJHWNMOZ-NSHDSACASA-N 1 1 260.293 3.381 20 5 CGBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCc1ccncc1 ZINC000350353906 379540481 /nfs/dbraw/zinc/54/04/81/379540481.db2.gz KKYRWHZIPOSGOE-XQRVVYSFSA-N 1 1 297.358 3.178 20 5 CGBDMO CC1(C)C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000377255998 379655044 /nfs/dbraw/zinc/65/50/44/379655044.db2.gz JLMVPAYWDQPJKZ-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000377255998 379655054 /nfs/dbraw/zinc/65/50/54/379655054.db2.gz JLMVPAYWDQPJKZ-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO CCC(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352535727 379847093 /nfs/dbraw/zinc/84/70/93/379847093.db2.gz UVONUIGGROOABQ-UHFFFAOYSA-N 1 1 266.341 3.224 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000352541615 379850590 /nfs/dbraw/zinc/85/05/90/379850590.db2.gz ZYOGEEZBDBGLRM-NWDGAFQWSA-N 1 1 278.352 3.224 20 5 CGBDMO CCC[N@@H+](CC)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1C ZINC000353057576 380097076 /nfs/dbraw/zinc/09/70/76/380097076.db2.gz BGQANTNQVAFHFG-CQSZACIVSA-N 1 1 293.411 3.113 20 5 CGBDMO CCCN(CC)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000353057576 380097079 /nfs/dbraw/zinc/09/70/79/380097079.db2.gz BGQANTNQVAFHFG-CQSZACIVSA-N 1 1 293.411 3.113 20 5 CGBDMO C[C@@]1(F)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000355352354 380653828 /nfs/dbraw/zinc/65/38/28/380653828.db2.gz HJJNYIOIQKANOL-KXQLTZBTSA-N 1 1 264.300 3.042 20 5 CGBDMO C[C@@]1(F)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000355352354 380653831 /nfs/dbraw/zinc/65/38/31/380653831.db2.gz HJJNYIOIQKANOL-KXQLTZBTSA-N 1 1 264.300 3.042 20 5 CGBDMO C[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000357717763 381264105 /nfs/dbraw/zinc/26/41/05/381264105.db2.gz SIMBTZASXNKLFZ-CHWSQXEVSA-N 1 1 278.352 3.094 20 5 CGBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000361482018 381766571 /nfs/dbraw/zinc/76/65/71/381766571.db2.gz TVFIUZGMVZQWDE-UHFFFAOYSA-N 1 1 278.352 3.096 20 5 CGBDMO CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000270743621 285031140 /nfs/dbraw/zinc/03/11/40/285031140.db2.gz RCXYYKYRJKPDSO-WFASDCNBSA-N 1 1 278.352 3.157 20 5 CGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000353819810 220346925 /nfs/dbraw/zinc/34/69/25/220346925.db2.gz UYBYWGIPTBBLTP-GJZGRUSLSA-N 1 1 292.379 3.230 20 5 CGBDMO CC[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281447208 195243334 /nfs/dbraw/zinc/24/33/34/195243334.db2.gz QJQVLNOELRLEFQ-SWLSCSKDSA-N 1 1 278.352 3.157 20 5 CGBDMO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000423352276 533450450 /nfs/dbraw/zinc/45/04/50/533450450.db2.gz AFQYEQSGISCROI-GFCCVEGCSA-N 1 1 297.358 3.049 20 5 CGBDMO C[C@@H]([NH2+][C@H](CN)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423258380 533536737 /nfs/dbraw/zinc/53/67/37/533536737.db2.gz BKCZMVWHRWNOPV-MLGOLLRUSA-N 1 1 291.395 3.153 20 5 CGBDMO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)C(C)C ZINC000067661189 392160116 /nfs/dbraw/zinc/16/01/16/392160116.db2.gz GFRWRXMCZJPPPW-LBPRGKRZSA-N 1 1 280.368 3.470 20 5 CGBDMO C[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000105961353 392297074 /nfs/dbraw/zinc/29/70/74/392297074.db2.gz WGWMESMZRHTTQB-CYBMUJFWSA-N 1 1 291.395 3.120 20 5 CGBDMO CCCO[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000108393410 392341770 /nfs/dbraw/zinc/34/17/70/392341770.db2.gz OXOWXKQSPCUOBH-HNNXBMFYSA-N 1 1 292.379 3.376 20 5 CGBDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000109781137 392372427 /nfs/dbraw/zinc/37/24/27/392372427.db2.gz ORGZPFZNJFVHEQ-GFCCVEGCSA-N 1 1 286.331 3.493 20 5 CGBDMO CC(C)([NH2+]Cc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000291634485 392474315 /nfs/dbraw/zinc/47/43/15/392474315.db2.gz AWBDCZRKPUAOLV-UHFFFAOYSA-N 1 1 271.320 3.015 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505609556 392680619 /nfs/dbraw/zinc/68/06/19/392680619.db2.gz ZHNROUAZHDCMDW-PHIMTYICSA-N 1 1 266.316 3.212 20 5 CGBDMO CCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182081108 392741096 /nfs/dbraw/zinc/74/10/96/392741096.db2.gz DDNPWNKKEXJKTG-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509656304 392764500 /nfs/dbraw/zinc/76/45/00/392764500.db2.gz XKGGYCVWVABBGL-UWVGGRQHSA-N 1 1 284.306 3.493 20 5 CGBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509656304 392764505 /nfs/dbraw/zinc/76/45/05/392764505.db2.gz XKGGYCVWVABBGL-UWVGGRQHSA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@@H]1C[C@H](C)[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509671975 392765956 /nfs/dbraw/zinc/76/59/56/392765956.db2.gz SDJBZPVMYYRLLA-BDAKNGLRSA-N 1 1 270.279 3.103 20 5 CGBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509671975 392765961 /nfs/dbraw/zinc/76/59/61/392765961.db2.gz SDJBZPVMYYRLLA-BDAKNGLRSA-N 1 1 270.279 3.103 20 5 CGBDMO C[C@@H]1CC[C@@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000190917025 392818115 /nfs/dbraw/zinc/81/81/15/392818115.db2.gz JPBUFXSTLNPCEI-DOMZBBRYSA-N 1 1 290.363 3.127 20 5 CGBDMO C[C@@H]1CC[C@@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000190917025 392818119 /nfs/dbraw/zinc/81/81/19/392818119.db2.gz JPBUFXSTLNPCEI-DOMZBBRYSA-N 1 1 290.363 3.127 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C)(F)C1 ZINC000347357137 393102988 /nfs/dbraw/zinc/10/29/88/393102988.db2.gz ROKGENOIBGENOO-ZWNOBZJWSA-N 1 1 252.289 3.090 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)(F)C1 ZINC000347357137 393102996 /nfs/dbraw/zinc/10/29/96/393102996.db2.gz ROKGENOIBGENOO-ZWNOBZJWSA-N 1 1 252.289 3.090 20 5 CGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000466928003 393073062 /nfs/dbraw/zinc/07/30/62/393073062.db2.gz XXHTXXDALACTIH-QWHCGFSZSA-N 1 1 278.352 3.094 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H]1CCCO1 ZINC000470174508 393229212 /nfs/dbraw/zinc/22/92/12/393229212.db2.gz LKZDDLRNJAZMIJ-RCBBPTIPSA-N 1 1 290.363 3.109 20 5 CGBDMO CSCC[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470170251 393229783 /nfs/dbraw/zinc/22/97/83/393229783.db2.gz RAQYPGGADCJOEP-FMIVXFBMSA-N 1 1 280.393 3.293 20 5 CGBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000471560942 393284186 /nfs/dbraw/zinc/28/41/86/393284186.db2.gz UJVYKFGJOUEAFV-RNCFNFMXSA-N 1 1 295.770 3.143 20 5 CGBDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000475722572 393413095 /nfs/dbraw/zinc/41/30/95/393413095.db2.gz HPMCQGZJOXPBRC-JHJVBQTASA-N 1 1 262.353 3.461 20 5 CGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000481399893 393437603 /nfs/dbraw/zinc/43/76/03/393437603.db2.gz GAUQLIHJMKMOFB-IUODEOHRSA-N 1 1 262.353 3.258 20 5 CGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430214532 393540777 /nfs/dbraw/zinc/54/07/77/393540777.db2.gz ZVEJSFKETSJWEC-DGCLKSJQSA-N 1 1 278.352 3.366 20 5 CGBDMO CC[C@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430224836 393543475 /nfs/dbraw/zinc/54/34/75/393543475.db2.gz WOTXFUKAKQTHIO-OAHLLOKOSA-N 1 1 278.352 3.225 20 5 CGBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000357718555 393515111 /nfs/dbraw/zinc/51/51/11/393515111.db2.gz WOKAQQDXSPJMAZ-QWHCGFSZSA-N 1 1 278.352 3.094 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)CC[C@H]1C ZINC000430234731 393546411 /nfs/dbraw/zinc/54/64/11/393546411.db2.gz BDAWKLUPYGNNKI-VXGBXAGGSA-N 1 1 278.352 3.224 20 5 CGBDMO CC[C@H](c1ccccc1)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000495529491 393778154 /nfs/dbraw/zinc/77/81/54/393778154.db2.gz JXEOGLJAKSZHEI-QGZVFWFLSA-N 1 1 297.358 3.499 20 5 CGBDMO CC[C@H](c1ccccc1)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000495529491 393778157 /nfs/dbraw/zinc/77/81/57/393778157.db2.gz JXEOGLJAKSZHEI-QGZVFWFLSA-N 1 1 297.358 3.499 20 5 CGBDMO Cc1ccc(C[N@H+](C)[C@H](CO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000449593242 393916327 /nfs/dbraw/zinc/91/63/27/393916327.db2.gz ZOFFQVGZAOJTIQ-AWEZNQCLSA-N 1 1 294.395 3.132 20 5 CGBDMO CC(C)C[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000020201858 171066460 /nfs/dbraw/zinc/06/64/60/171066460.db2.gz BEVCTYCWDBVHER-XJKSGUPXSA-N 1 1 293.411 3.222 20 5 CGBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000284866470 196147104 /nfs/dbraw/zinc/14/71/04/196147104.db2.gz DJORXYGQHBNMOG-ZBFHGGJFSA-N 1 1 290.363 3.047 20 5 CGBDMO CC[C@H](NC1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000038098035 174112902 /nfs/dbraw/zinc/11/29/02/174112902.db2.gz LCEISFPZKNEJNG-INIZCTEOSA-N 1 1 291.395 3.120 20 5 CGBDMO Cc1ncsc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000071212292 176084182 /nfs/dbraw/zinc/08/41/82/176084182.db2.gz LFNKMLCPDWTGLM-SECBINFHSA-N 1 1 277.349 3.211 20 5 CGBDMO CCOc1ccc([C@H](C)[NH2+]Cc2ccoc2)cc1[N+](=O)[O-] ZINC000179405288 260046442 /nfs/dbraw/zinc/04/64/42/260046442.db2.gz FTWRDHOTNGXUAM-NSHDSACASA-N 1 1 290.319 3.437 20 5 CGBDMO CC1(C)CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000525124855 270117283 /nfs/dbraw/zinc/11/72/83/270117283.db2.gz KAJPFOWFDHHZSN-UHFFFAOYSA-N 1 1 292.379 3.486 20 5 CGBDMO CCC[C@]1(CO)CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000344236446 276053549 /nfs/dbraw/zinc/05/35/49/276053549.db2.gz MRJVRTVCBLJBLY-CJNGLKHVSA-N 1 1 292.379 3.140 20 5 CGBDMO CC(C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000533356735 288377850 /nfs/dbraw/zinc/37/78/50/288377850.db2.gz OQHRYEJYMMOKDP-UHFFFAOYSA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@H](C1CC1)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000551975929 289145166 /nfs/dbraw/zinc/14/51/66/289145166.db2.gz JUWPNXUBRYJTEZ-MRVPVSSYSA-N 1 1 270.279 3.103 20 5 CGBDMO C[C@H](C1CC1)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000551975929 289145167 /nfs/dbraw/zinc/14/51/67/289145167.db2.gz JUWPNXUBRYJTEZ-MRVPVSSYSA-N 1 1 270.279 3.103 20 5 CGBDMO Cc1cccc(N[C@@H](C)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000388763541 328300684 /nfs/dbraw/zinc/30/06/84/328300684.db2.gz LFCHEGLLDUHTJJ-LBPRGKRZSA-N 1 1 265.357 3.044 20 5 CGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H](CC3CC3)C2)cc1 ZINC000580531039 335104780 /nfs/dbraw/zinc/10/47/80/335104780.db2.gz PRUIGDUJKKUPMW-AWEZNQCLSA-N 1 1 290.363 3.096 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)cc1 ZINC000580551808 335278839 /nfs/dbraw/zinc/27/88/39/335278839.db2.gz KGGJDZWNNIUFOA-HOTGVXAUSA-N 1 1 286.306 3.322 20 5 CGBDMO CC(C)[N@@H+](CCC1(O)CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000411185155 528880735 /nfs/dbraw/zinc/88/07/35/528880735.db2.gz GUMJZWZLABECOA-UHFFFAOYSA-N 1 1 292.379 3.110 20 5 CGBDMO CCCCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000744406515 572750353 /nfs/dbraw/zinc/75/03/53/572750353.db2.gz FDMCYZWOWAFGGG-CYBMUJFWSA-N 1 1 292.383 3.056 20 5 CGBDMO CC(C)Cc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000892606787 618872407 /nfs/dbraw/zinc/87/24/07/618872407.db2.gz CZINQALZDWGLKZ-UHFFFAOYSA-N 1 1 299.374 3.478 20 5 CGBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000311920987 618947272 /nfs/dbraw/zinc/94/72/72/618947272.db2.gz ULTUIUSCERLMMD-JTQLQIEISA-N 1 1 285.775 3.389 20 5 CGBDMO Cc1cc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)nc(C)[nH+]1 ZINC000895667328 619867860 /nfs/dbraw/zinc/86/78/60/619867860.db2.gz IHWPSOXTLFAXAP-SNVBAGLBSA-N 1 1 272.308 3.175 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C/C=C/Cl ZINC000903443114 621754784 /nfs/dbraw/zinc/75/47/84/621754784.db2.gz BQSSOWPQWGMRHK-SWTNXBIASA-N 1 1 270.716 3.007 20 5 CGBDMO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000929773825 623626210 /nfs/dbraw/zinc/62/62/10/623626210.db2.gz IYWUNPDKQKTIHQ-GHMZBOCLSA-N 1 1 270.760 3.041 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000761044597 623654329 /nfs/dbraw/zinc/65/43/29/623654329.db2.gz BGNDPLLEQWSGGL-NSHDSACASA-N 1 1 288.269 3.022 20 5 CGBDMO CC[C@@]1(C)CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154380638 624267046 /nfs/dbraw/zinc/26/70/46/624267046.db2.gz HNQGGGPHLJPJNF-HOTGVXAUSA-N 1 1 292.379 3.140 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761512309 627047400 /nfs/dbraw/zinc/04/74/00/627047400.db2.gz QPGGJXYSWNNQPE-SECBINFHSA-N 1 1 254.717 3.090 20 5 CGBDMO C[C@@H]1CCC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769390181 627547945 /nfs/dbraw/zinc/54/79/45/627547945.db2.gz VQZOWQCPGVNQCS-SECBINFHSA-N 1 1 299.168 3.342 20 5 CGBDMO C[C@@H]1CCC[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769390181 627547947 /nfs/dbraw/zinc/54/79/47/627547947.db2.gz VQZOWQCPGVNQCS-SECBINFHSA-N 1 1 299.168 3.342 20 5 CGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774905717 628048021 /nfs/dbraw/zinc/04/80/21/628048021.db2.gz RCGYCIDLEYPVKK-ZYHUDNBSSA-N 1 1 293.323 3.123 20 5 CGBDMO CC(C)(C)[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582492 628221126 /nfs/dbraw/zinc/22/11/26/628221126.db2.gz RIXRNGVVMCUUHZ-CABCVRRESA-N 1 1 292.379 3.139 20 5 CGBDMO CO[C@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000793216436 629429329 /nfs/dbraw/zinc/42/93/29/629429329.db2.gz GWFYRORPUTZCQG-CQSZACIVSA-N 1 1 298.770 3.249 20 5 CGBDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000793216436 629429333 /nfs/dbraw/zinc/42/93/33/629429333.db2.gz GWFYRORPUTZCQG-CQSZACIVSA-N 1 1 298.770 3.249 20 5 CGBDMO Cc1c([C@H](C)[NH2+]Cc2cccnc2F)cccc1[N+](=O)[O-] ZINC000794832995 629584307 /nfs/dbraw/zinc/58/43/07/629584307.db2.gz IZVBNPZNTPPXLL-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO CCC(CC)[N@@H+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000808782165 630678089 /nfs/dbraw/zinc/67/80/89/630678089.db2.gz IKDOCJMYOKKKPE-OAHLLOKOSA-N 1 1 280.368 3.139 20 5 CGBDMO C[N@@H+](CCC[C@@H]1CCO1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000876552624 634856123 /nfs/dbraw/zinc/85/61/23/634856123.db2.gz XLVGEYHPFVQCJD-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)C[C@H](C)[N@@H+]1C ZINC000865834386 632906825 /nfs/dbraw/zinc/90/68/25/632906825.db2.gz LXEWALCCOJWEJO-AOOOYVTPSA-N 1 1 299.321 3.061 20 5 CGBDMO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccc[nH]1 ZINC000872052422 633975485 /nfs/dbraw/zinc/97/54/85/633975485.db2.gz RTWPOCDYQWVSOI-UWVGGRQHSA-N 1 1 277.299 3.474 20 5 CGBDMO CC(C)[N@@H+](C)C[C@H](C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872073411 633995479 /nfs/dbraw/zinc/99/54/79/633995479.db2.gz QPTSVPSLBZJYDZ-RYUDHWBXSA-N 1 1 297.374 3.113 20 5 CGBDMO COC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000832605706 634074141 /nfs/dbraw/zinc/07/41/41/634074141.db2.gz LTEBFMWQGOAMAA-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO COC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000832605706 634074149 /nfs/dbraw/zinc/07/41/49/634074149.db2.gz LTEBFMWQGOAMAA-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000877814595 635222574 /nfs/dbraw/zinc/22/25/74/635222574.db2.gz UQINJIYFDJTACP-GFCCVEGCSA-N 1 1 288.269 3.369 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529271 635806034 /nfs/dbraw/zinc/80/60/34/635806034.db2.gz UYHIBJUIDLOQDJ-TXEJJXNPSA-N 1 1 276.311 3.132 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844433902 635899026 /nfs/dbraw/zinc/89/90/26/635899026.db2.gz ICVSXVRLEPGSNG-ZDUSSCGKSA-N 1 1 282.290 3.216 20 5 CGBDMO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000886249031 637469773 /nfs/dbraw/zinc/46/97/73/637469773.db2.gz BGYSJIWGGSNMNZ-UHFFFAOYSA-N 1 1 263.341 3.000 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@@H+](CCC1CC1)CC1CC1 ZINC000886287036 637485006 /nfs/dbraw/zinc/48/50/06/637485006.db2.gz IVFXFCPMISKYAD-UHFFFAOYSA-N 1 1 275.352 3.002 20 5 CGBDMO C[N@H+](CCCF)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000887141327 637756631 /nfs/dbraw/zinc/75/66/31/637756631.db2.gz OOXQPLOYHWMHJC-UHFFFAOYSA-N 1 1 260.696 3.040 20 5 CGBDMO C[N@@H+](CCCF)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000887141327 637756639 /nfs/dbraw/zinc/75/66/39/637756639.db2.gz OOXQPLOYHWMHJC-UHFFFAOYSA-N 1 1 260.696 3.040 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cn(C)cn2)cc1[N+](=O)[O-] ZINC000925497869 638238515 /nfs/dbraw/zinc/23/85/15/638238515.db2.gz ZOWZKVRRXKKQNN-NEPJUHHUSA-N 1 1 288.351 3.049 20 5 CGBDMO Cc1nnsc1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000930595650 639034165 /nfs/dbraw/zinc/03/41/65/639034165.db2.gz VJXRJBIUPYCHIQ-IUCAKERBSA-N 1 1 292.364 3.167 20 5 CGBDMO Cc1nnsc1[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177276 639287763 /nfs/dbraw/zinc/28/77/63/639287763.db2.gz VJXRJBIUPYCHIQ-RKDXNWHRSA-N 1 1 292.364 3.167 20 5 CGBDMO C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000932181370 639289597 /nfs/dbraw/zinc/28/95/97/639289597.db2.gz PSCSOWQCUYQCFK-UKRRQHHQSA-N 1 1 291.395 3.120 20 5 CGBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000934116200 639545230 /nfs/dbraw/zinc/54/52/30/639545230.db2.gz KSTLMXWMOZIYOO-KCPJHIHWSA-N 1 1 278.352 3.073 20 5 CGBDMO CO[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1C ZINC000189294088 640185115 /nfs/dbraw/zinc/18/51/15/640185115.db2.gz PRFQERPSQYLEMT-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1C ZINC000189294088 640185118 /nfs/dbraw/zinc/18/51/18/640185118.db2.gz PRFQERPSQYLEMT-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774241 640802284 /nfs/dbraw/zinc/80/22/84/640802284.db2.gz ZIQMHCDJQRDVRJ-LBPRGKRZSA-N 1 1 266.316 3.498 20 5 CGBDMO CC[C@H](C)[N@@H+](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254552002 806448168 /nfs/dbraw/zinc/44/81/68/806448168.db2.gz HVNMKVOXDFUUGW-NWDGAFQWSA-N 1 1 250.342 3.256 20 5 CGBDMO CCCC[N@@H+](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550588 806448269 /nfs/dbraw/zinc/44/82/69/806448269.db2.gz MNBBJZWWZWNQNC-GFCCVEGCSA-N 1 1 250.342 3.258 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001254560712 806451524 /nfs/dbraw/zinc/45/15/24/806451524.db2.gz WRULJSPMEQREJU-SMDDNHRTSA-N 1 1 296.317 3.257 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001254563825 806451945 /nfs/dbraw/zinc/45/19/45/806451945.db2.gz DLNSIMAQMOBKQG-KYOSRNDESA-N 1 1 260.337 3.010 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](CC1CC1)C1CC1 ZINC001254567545 806453510 /nfs/dbraw/zinc/45/35/10/806453510.db2.gz WNLPZGYOMNMEIU-LBPRGKRZSA-N 1 1 274.364 3.400 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000711634045 800068031 /nfs/dbraw/zinc/06/80/31/800068031.db2.gz NHCFKQCEMAFJHG-PHIMTYICSA-N 1 1 298.795 3.043 20 5 CGBDMO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccns1 ZINC000715931266 800153506 /nfs/dbraw/zinc/15/35/06/800153506.db2.gz JFEMKQFNCKUOHG-NXEZZACHSA-N 1 1 277.349 3.463 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932375147 800660163 /nfs/dbraw/zinc/66/01/63/800660163.db2.gz KHMUEUDTJSBYDF-INIZCTEOSA-N 1 1 283.331 3.231 20 5 CGBDMO C[N@H+]1CC[C@H](Nc2ccc(C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001167278436 807174896 /nfs/dbraw/zinc/17/48/96/807174896.db2.gz KRVFULGLINRFDJ-LBPRGKRZSA-N 1 1 277.368 3.008 20 5 CGBDMO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC001168423730 807410841 /nfs/dbraw/zinc/41/08/41/807410841.db2.gz PNZUMRQDCDILDW-CYBMUJFWSA-N 1 1 292.379 3.342 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCC3(CCCC3)C2)C1 ZINC001169011098 807552039 /nfs/dbraw/zinc/55/20/39/807552039.db2.gz IKEGUWPUUQDOHC-ZIAGYGMSSA-N 1 1 266.385 3.088 20 5 CGBDMO CS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001261638136 807771648 /nfs/dbraw/zinc/77/16/48/807771648.db2.gz RJQIUAXPGAMMCK-OLZOCXBDSA-N 1 1 298.383 3.450 20 5 CGBDMO CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC001170329736 807827051 /nfs/dbraw/zinc/82/70/51/807827051.db2.gz SRDVEYRDZGWVNY-LLVKDONJSA-N 1 1 278.352 3.019 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC001173226106 808541268 /nfs/dbraw/zinc/54/12/68/808541268.db2.gz HQUHOGLQMFGUKT-BBRMVZONSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC001173226502 808541473 /nfs/dbraw/zinc/54/14/73/808541473.db2.gz MFCJULCRWFIWBS-STQMWFEESA-N 1 1 262.353 3.400 20 5 CGBDMO CC(C)(C)[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001192481664 810803079 /nfs/dbraw/zinc/80/30/79/810803079.db2.gz OLIIVGHQEBTFRS-ZDUSSCGKSA-N 1 1 292.379 3.342 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001194325232 811052750 /nfs/dbraw/zinc/05/27/50/811052750.db2.gz QNMOSYHDWJGXFH-UONOGXRCSA-N 1 1 292.379 3.484 20 5 CGBDMO O=[N+]([O-])c1ccc(F)c(Nc2c[nH+]c3ccccn23)c1F ZINC001215287176 815503210 /nfs/dbraw/zinc/50/32/10/815503210.db2.gz GKSUWBCDRHKKIH-UHFFFAOYSA-N 1 1 290.229 3.264 20 5 CGBDMO N[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@@H]1F ZINC001204891979 812766049 /nfs/dbraw/zinc/76/60/49/812766049.db2.gz RZGVEDNGQOAFBF-OALUTQOASA-N 1 1 294.373 3.474 20 5 CGBDMO N[C@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)C[C@@H]1F ZINC001204891979 812766057 /nfs/dbraw/zinc/76/60/57/812766057.db2.gz RZGVEDNGQOAFBF-OALUTQOASA-N 1 1 294.373 3.474 20 5 CGBDMO O=[N+]([O-])c1cc(F)cc(Nc2c[nH+]c3ccccn23)c1 ZINC001216481447 815837009 /nfs/dbraw/zinc/83/70/09/815837009.db2.gz LMPANOCHPLSBTP-UHFFFAOYSA-N 1 1 272.239 3.125 20 5 CGBDMO C[C@@H](OC[C@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC001224707220 816859971 /nfs/dbraw/zinc/85/99/71/816859971.db2.gz PBRXVLKEYDGAOL-CHWSQXEVSA-N 1 1 278.352 3.157 20 5 CGBDMO C[C@H](OC[C@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC001224707984 816861181 /nfs/dbraw/zinc/86/11/81/816861181.db2.gz UZBHGVCRJVPCNL-SWLSCSKDSA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001225681605 817139685 /nfs/dbraw/zinc/13/96/85/817139685.db2.gz CKPUOGWYVJFCLP-ZDUSSCGKSA-N 1 1 278.352 3.155 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c1 ZINC001225681200 817139960 /nfs/dbraw/zinc/13/99/60/817139960.db2.gz OEZDORGNICXESR-YWVIFJGQSA-N 1 1 290.363 3.012 20 5 CGBDMO CC(C)[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001226761843 817457105 /nfs/dbraw/zinc/45/71/05/817457105.db2.gz HJRZFEVHLQIDEU-NSHDSACASA-N 1 1 284.743 3.110 20 5 CGBDMO C[N@H+]1CCC[C@@H](Oc2c3ccccc3ccc2[N+](=O)[O-])C1 ZINC001227214677 817594373 /nfs/dbraw/zinc/59/43/73/817594373.db2.gz OKGMDXCHNALHJP-CYBMUJFWSA-N 1 1 286.331 3.221 20 5 CGBDMO CC[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001228759241 818002055 /nfs/dbraw/zinc/00/20/55/818002055.db2.gz YEPATULBBDCPJY-NSHDSACASA-N 1 1 284.743 3.111 20 5 CGBDMO c1cnc2c(c1)ccc1ccc(C[N@H+]3CCCOCC3)nc12 ZINC001232219001 818283485 /nfs/dbraw/zinc/28/34/85/818283485.db2.gz KLJPFMGSIJLIFK-UHFFFAOYSA-N 1 1 293.370 3.005 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CC=CCC1)C2 ZINC001341569607 936442817 /nfs/dbraw/zinc/44/28/17/936442817.db2.gz RNJABSUUORFKRW-LBPRGKRZSA-N 1 1 258.321 3.267 20 5 CGBDMO CC[N@H+]1CCC[C@@H](CNc2c(C)cccc2[N+](=O)[O-])C1 ZINC001350441390 936991197 /nfs/dbraw/zinc/99/11/97/936991197.db2.gz RYTKUTJODMXKDT-ZDUSSCGKSA-N 1 1 277.368 3.047 20 5 CGBDMO Cc1cc(O[C@H]2CCC[N@H+](C)CC2)cc([N+](=O)[O-])c1C ZINC001230472024 932575893 /nfs/dbraw/zinc/57/58/93/932575893.db2.gz YXUFWGAQEBVVFW-ZDUSSCGKSA-N 1 1 278.352 3.075 20 5 CGBDMO Cc1ccc(C)c([N+](=O)[O-])c1O[C@H]1CCC[N@H+](C)CC1 ZINC001231058562 932668764 /nfs/dbraw/zinc/66/87/64/932668764.db2.gz BEUBIYSRFGCHRS-ZDUSSCGKSA-N 1 1 278.352 3.075 20 5 CGBDMO CC(C)[C@H](O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001307431365 932950742 /nfs/dbraw/zinc/95/07/42/932950742.db2.gz XRSMULYWTXCXRX-MRXNPFEDSA-N 1 1 294.395 3.212 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CC(C)C ZINC001308613536 933143795 /nfs/dbraw/zinc/14/37/95/933143795.db2.gz KDHIJBXVQVHKON-UHFFFAOYSA-N 1 1 250.342 3.299 20 5 CGBDMO CCCC[N@@H+](CC[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC001473182109 937796158 /nfs/dbraw/zinc/79/61/58/937796158.db2.gz VEMJWBPVPSOBIV-CYBMUJFWSA-N 1 1 250.342 3.126 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)C[C@H]1C ZINC001559913671 938238614 /nfs/dbraw/zinc/23/86/14/938238614.db2.gz RHYQLTXUUSTXLK-LLVKDONJSA-N 1 1 278.352 3.224 20 5 CGBDMO CCN(CC)C[C@@H](C)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001560319526 938252724 /nfs/dbraw/zinc/25/27/24/938252724.db2.gz LAUHNKMTDUURBW-CYBMUJFWSA-N 1 1 293.411 3.032 20 5 CGBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@H]1C=CCC1 ZINC001560526331 938261557 /nfs/dbraw/zinc/26/15/57/938261557.db2.gz MOGVWYUZMMKYKB-VIFPVBQESA-N 1 1 297.152 3.166 20 5 CGBDMO CC(C)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000350684892 219048199 /nfs/dbraw/zinc/04/81/99/219048199.db2.gz MFMVZVOTQCSETQ-UHFFFAOYSA-N 1 1 294.399 3.082 20 5 CGBDMO Cc1ccc(C[NH2+][C@@H](C)c2ccncc2F)cc1[N+](=O)[O-] ZINC000337948604 214326950 /nfs/dbraw/zinc/32/69/50/214326950.db2.gz IEEALRLPTLRUGE-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO CC[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000173315525 529495142 /nfs/dbraw/zinc/49/51/42/529495142.db2.gz XURDPHQZOLBEFL-ZFWWWQNUSA-N 1 1 291.395 3.120 20 5 CGBDMO Cc1ccc(NC[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000040624230 344965020 /nfs/dbraw/zinc/96/50/20/344965020.db2.gz BWRNXHSBRPQGBN-ZDUSSCGKSA-N 1 1 277.368 3.045 20 5 CGBDMO COc1ccccc1C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000042977181 344991460 /nfs/dbraw/zinc/99/14/60/344991460.db2.gz MUTIVLLDGJALBR-UHFFFAOYSA-N 1 1 286.331 3.235 20 5 CGBDMO COc1ccccc1C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000042977181 344991462 /nfs/dbraw/zinc/99/14/62/344991462.db2.gz MUTIVLLDGJALBR-UHFFFAOYSA-N 1 1 286.331 3.235 20 5 CGBDMO COc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000061760461 345233086 /nfs/dbraw/zinc/23/30/86/345233086.db2.gz RGBQITDAQJRSEQ-UHFFFAOYSA-N 1 1 286.331 3.235 20 5 CGBDMO COc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000061760461 345233089 /nfs/dbraw/zinc/23/30/89/345233089.db2.gz RGBQITDAQJRSEQ-UHFFFAOYSA-N 1 1 286.331 3.235 20 5 CGBDMO C[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000063302134 345245835 /nfs/dbraw/zinc/24/58/35/345245835.db2.gz SQROCXNFOLLECH-CQSZACIVSA-N 1 1 292.379 3.486 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(C)C ZINC000065299600 345271264 /nfs/dbraw/zinc/27/12/64/345271264.db2.gz RMBUQQBWWNJNHK-LBPRGKRZSA-N 1 1 250.342 3.461 20 5 CGBDMO CC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000075721789 345520199 /nfs/dbraw/zinc/52/01/99/345520199.db2.gz USNFUKBTZKZCQM-RWMBFGLXSA-N 1 1 278.352 3.155 20 5 CGBDMO CC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000075721789 345520203 /nfs/dbraw/zinc/52/02/03/345520203.db2.gz USNFUKBTZKZCQM-RWMBFGLXSA-N 1 1 278.352 3.155 20 5 CGBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000080652675 345681520 /nfs/dbraw/zinc/68/15/20/345681520.db2.gz XBBNQXOKDZXDMW-AWEZNQCLSA-N 1 1 291.395 3.071 20 5 CGBDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083216328 345725007 /nfs/dbraw/zinc/72/50/07/345725007.db2.gz BKQVAJNEUBEWFC-WDEREUQCSA-N 1 1 289.335 3.356 20 5 CGBDMO CC(C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC1 ZINC000083207781 345725112 /nfs/dbraw/zinc/72/51/12/345725112.db2.gz RBYRDGKHBCXUCN-UHFFFAOYSA-N 1 1 289.335 3.499 20 5 CGBDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000091097046 345804118 /nfs/dbraw/zinc/80/41/18/345804118.db2.gz UTXOCTSHTVLIPD-NSHDSACASA-N 1 1 286.372 3.307 20 5 CGBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116274001 345976720 /nfs/dbraw/zinc/97/67/20/345976720.db2.gz JPLYPWGOURYUFT-VIFPVBQESA-N 1 1 268.744 3.479 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172957300 346232234 /nfs/dbraw/zinc/23/22/34/346232234.db2.gz DTKSJFJAGOTCMB-LEWSCRJBSA-N 1 1 260.337 3.244 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593698802 347105667 /nfs/dbraw/zinc/10/56/67/347105667.db2.gz XGUKNQBMQQMBLZ-ZDUSSCGKSA-N 1 1 282.290 3.134 20 5 CGBDMO CC(C)c1ccc(C[N@H+](C[C@H](C)O)C2CC2)cc1[N+](=O)[O-] ZINC000594614364 347204043 /nfs/dbraw/zinc/20/40/43/347204043.db2.gz GBKNGHWWHLEROL-LBPRGKRZSA-N 1 1 292.379 3.063 20 5 CGBDMO Cc1c([C@H](C)[NH2+][C@H](C)c2nccn2C)cccc1[N+](=O)[O-] ZINC000595109917 347284821 /nfs/dbraw/zinc/28/48/21/347284821.db2.gz WZNHRVLMAYBVQA-NWDGAFQWSA-N 1 1 288.351 3.049 20 5 CGBDMO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C1CCCCC1 ZINC000595289615 347287151 /nfs/dbraw/zinc/28/71/51/347287151.db2.gz FWMFOOYIAONOOF-UHFFFAOYSA-N 1 1 267.329 3.046 20 5 CGBDMO Cc1noc(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000595297248 347288651 /nfs/dbraw/zinc/28/86/51/347288651.db2.gz KZJRHPJKQUFNKI-DRZSPHRISA-N 1 1 293.367 3.292 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000595317008 347291164 /nfs/dbraw/zinc/29/11/64/347291164.db2.gz KQZOPJKPSMILMP-LBPRGKRZSA-N 1 1 290.294 3.316 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595779708 347355085 /nfs/dbraw/zinc/35/50/85/347355085.db2.gz GMQQQINCAGBPNH-AGIUHOORSA-N 1 1 278.352 3.155 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595809854 347357356 /nfs/dbraw/zinc/35/73/56/347357356.db2.gz JUDPJVHGWOWNLR-AVGNSLFASA-N 1 1 260.337 3.306 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000595519635 347315282 /nfs/dbraw/zinc/31/52/82/347315282.db2.gz ASZIOAATJGSVLU-TXEJJXNPSA-N 1 1 278.327 3.356 20 5 CGBDMO CCOc1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000595565615 347320392 /nfs/dbraw/zinc/32/03/92/347320392.db2.gz BYVNOBXDCLOUEW-KBPBESRZSA-N 1 1 290.363 3.368 20 5 CGBDMO CC1(c2ccccc2)C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000598676442 347677930 /nfs/dbraw/zinc/67/79/30/347677930.db2.gz HNFIRDOUPVKSTG-UHFFFAOYSA-N 1 1 282.343 3.368 20 5 CGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H]4C[C@@H]43)c2c1 ZINC000601165647 347876832 /nfs/dbraw/zinc/87/68/32/347876832.db2.gz RHUAPVPNHAKSKY-BMIGLBTASA-N 1 1 269.304 3.132 20 5 CGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1CC(C)C ZINC000602794014 348030127 /nfs/dbraw/zinc/03/01/27/348030127.db2.gz CMJDYNVNWIIDBQ-AWEZNQCLSA-N 1 1 294.399 3.000 20 5 CGBDMO C[C@H](CNc1ccc([N+](=O)[O-])s1)[N@H+]1CCC[C@@H](C)C1 ZINC000604409296 348119766 /nfs/dbraw/zinc/11/97/66/348119766.db2.gz RXJNPWWOSBOQQO-GHMZBOCLSA-N 1 1 283.397 3.189 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](c3ccco3)C2)cs1 ZINC000609539824 348346985 /nfs/dbraw/zinc/34/69/85/348346985.db2.gz DVLORMWBGBMDPS-LLVKDONJSA-N 1 1 278.333 3.239 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@H](C)C(C)C)ccc1[N+](=O)[O-] ZINC000351971607 219270242 /nfs/dbraw/zinc/27/02/42/219270242.db2.gz UVINRCWSLAXJBM-LLVKDONJSA-N 1 1 266.341 3.080 20 5 CGBDMO Cc1c(C[NH+]2CC3(C2)CC(F)(F)C3)cccc1[N+](=O)[O-] ZINC000611180224 348426927 /nfs/dbraw/zinc/42/69/27/348426927.db2.gz VBTKMIOWTUZSAK-UHFFFAOYSA-N 1 1 282.290 3.134 20 5 CGBDMO CC[N@@H+](C[C@H]1CCOC1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000611204948 348428360 /nfs/dbraw/zinc/42/83/60/348428360.db2.gz CGQPJHHAELXBNT-CHWSQXEVSA-N 1 1 278.352 3.014 20 5 CGBDMO CO[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000611984083 348484768 /nfs/dbraw/zinc/48/47/68/348484768.db2.gz CGOOQNACXOYDFS-IJVDHGTGSA-N 1 1 290.363 3.109 20 5 CGBDMO CCO[C@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000611516480 348458121 /nfs/dbraw/zinc/45/81/21/348458121.db2.gz UKASTXCLTOTHLC-HIFRSBDPSA-N 1 1 292.379 3.465 20 5 CGBDMO CCn1ccc(C[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000616737774 348876452 /nfs/dbraw/zinc/87/64/52/348876452.db2.gz XBLWJMCWCSXNBT-UHFFFAOYSA-N 1 1 287.363 3.357 20 5 CGBDMO C[N@@H+](CCCOC(C)(C)C)CCc1cccc([N+](=O)[O-])c1 ZINC000619785245 349285092 /nfs/dbraw/zinc/28/50/92/349285092.db2.gz QAORNGJDDQRDHR-UHFFFAOYSA-N 1 1 294.395 3.274 20 5 CGBDMO CCCc1nc(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000291656106 198052874 /nfs/dbraw/zinc/05/28/74/198052874.db2.gz DKRKLYKGKBBAHD-UHFFFAOYSA-N 1 1 289.335 3.134 20 5 CGBDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000124122142 187123250 /nfs/dbraw/zinc/12/32/50/187123250.db2.gz ZEFYNXMGVKEFOB-HIFRSBDPSA-N 1 1 292.379 3.110 20 5 CGBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000124122366 187123379 /nfs/dbraw/zinc/12/33/79/187123379.db2.gz ZEFYNXMGVKEFOB-DZGCQCFKSA-N 1 1 292.379 3.110 20 5 CGBDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000124282606 187130195 /nfs/dbraw/zinc/13/01/95/187130195.db2.gz MTNPHAMJNONDKC-HIFRSBDPSA-N 1 1 292.379 3.110 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)cc1F ZINC000368476925 234313633 /nfs/dbraw/zinc/31/36/33/234313633.db2.gz HYZBCEPHOJJJIY-GFCCVEGCSA-N 1 1 290.294 3.316 20 5 CGBDMO Cc1cccc(NCCCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000413346691 235271133 /nfs/dbraw/zinc/27/11/33/235271133.db2.gz IPRAMLQXQZQIQF-UHFFFAOYSA-N 1 1 277.368 3.190 20 5 CGBDMO CC[N@@H+](C)CCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000341800028 216110327 /nfs/dbraw/zinc/11/03/27/216110327.db2.gz PVZNKXUCWHDBQG-UHFFFAOYSA-N 1 1 292.166 3.265 20 5 CGBDMO C[C@@]12CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]1C2(F)F ZINC000298245751 200369813 /nfs/dbraw/zinc/36/98/13/200369813.db2.gz JRCBLDHYPDBCEU-QWHCGFSZSA-N 1 1 282.290 3.072 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000176981021 189018748 /nfs/dbraw/zinc/01/87/48/189018748.db2.gz VOPDFQRGJWTLSO-PHIMTYICSA-N 1 1 289.335 3.214 20 5 CGBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CCCC1 ZINC000177027997 189022107 /nfs/dbraw/zinc/02/21/07/189022107.db2.gz NYFMCNAFKSNAAQ-UHFFFAOYSA-N 1 1 289.335 3.358 20 5 CGBDMO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000177058237 189025067 /nfs/dbraw/zinc/02/50/67/189025067.db2.gz IKZIERATQHASGN-GFCCVEGCSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000177058237 189025068 /nfs/dbraw/zinc/02/50/68/189025068.db2.gz IKZIERATQHASGN-GFCCVEGCSA-N 1 1 271.320 3.183 20 5 CGBDMO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000341985357 216176967 /nfs/dbraw/zinc/17/69/67/216176967.db2.gz WWQLEBRKXDYCJQ-UHFFFAOYSA-N 1 1 288.351 3.236 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCCSCC1 ZINC000119568519 370686786 /nfs/dbraw/zinc/68/67/86/370686786.db2.gz UAYOFSYVSWSXFS-UHFFFAOYSA-N 1 1 286.784 3.187 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCCSCC1 ZINC000119568519 370686792 /nfs/dbraw/zinc/68/67/92/370686792.db2.gz UAYOFSYVSWSXFS-UHFFFAOYSA-N 1 1 286.784 3.187 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000301581599 201078995 /nfs/dbraw/zinc/07/89/95/201078995.db2.gz TYVBQMFJOOLYLG-AWEZNQCLSA-N 1 1 291.395 3.436 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000301626318 201103357 /nfs/dbraw/zinc/10/33/57/201103357.db2.gz ZXGPRTPTSIFPDS-CQSZACIVSA-N 1 1 291.395 3.293 20 5 CGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCCF)C2)cc1 ZINC000451554139 240323913 /nfs/dbraw/zinc/32/39/13/240323913.db2.gz ZJBAIXWPDNKPFX-ZDUSSCGKSA-N 1 1 266.316 3.134 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451899575 240377362 /nfs/dbraw/zinc/37/73/62/240377362.db2.gz IIRYOLQAJSDCNK-CZUORRHYSA-N 1 1 290.363 3.158 20 5 CGBDMO C[C@@H]1CCC(C)(C)[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000452011939 240393393 /nfs/dbraw/zinc/39/33/93/240393393.db2.gz RLKNAAPYIGOKBY-SECBINFHSA-N 1 1 254.355 3.419 20 5 CGBDMO C[N@@H+](CCc1cccs1)Cc1cccc([N+](=O)[O-])c1 ZINC000120952809 370816193 /nfs/dbraw/zinc/81/61/93/370816193.db2.gz NSTSGGDEEJXRDX-UHFFFAOYSA-N 1 1 276.361 3.331 20 5 CGBDMO C[N@H+](CCOCC1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000459291428 242055900 /nfs/dbraw/zinc/05/59/00/242055900.db2.gz MQEHTLKMEOQRCJ-UHFFFAOYSA-N 1 1 292.379 3.233 20 5 CGBDMO C[N@@H+](CCOCC1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000459291428 242055909 /nfs/dbraw/zinc/05/59/09/242055909.db2.gz MQEHTLKMEOQRCJ-UHFFFAOYSA-N 1 1 292.379 3.233 20 5 CGBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464690441 242445494 /nfs/dbraw/zinc/44/54/94/242445494.db2.gz QTNXUSCBGOZMBT-JQWIXIFHSA-N 1 1 296.342 3.363 20 5 CGBDMO CC[C@H]1C[C@H](C)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000466928004 242583283 /nfs/dbraw/zinc/58/32/83/242583283.db2.gz XXHTXXDALACTIH-STQMWFEESA-N 1 1 278.352 3.094 20 5 CGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000466936600 242584849 /nfs/dbraw/zinc/58/48/49/242584849.db2.gz UAXAGTAOXXHVSE-ZIAGYGMSSA-N 1 1 292.379 3.484 20 5 CGBDMO CCOc1cc(C[N@@H+](C)CCC2CC2)ccc1[N+](=O)[O-] ZINC000492694286 244007389 /nfs/dbraw/zinc/00/73/89/244007389.db2.gz DGBLLPGZURQMKH-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO CCOc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492719857 244014461 /nfs/dbraw/zinc/01/44/61/244014461.db2.gz GCYTWPGKBFKVLB-OLZOCXBDSA-N 1 1 292.379 3.471 20 5 CGBDMO CC[C@@]1(C)C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000276066179 193202564 /nfs/dbraw/zinc/20/25/64/193202564.db2.gz QPPFQVIYXUIYML-DOMZBBRYSA-N 1 1 278.352 3.157 20 5 CGBDMO CC[C@@]1(C)C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000276066179 193202565 /nfs/dbraw/zinc/20/25/65/193202565.db2.gz QPPFQVIYXUIYML-DOMZBBRYSA-N 1 1 278.352 3.157 20 5 CGBDMO C[N@H+](Cc1ccsc1)Cc1ccccc1[N+](=O)[O-] ZINC000061800440 369606710 /nfs/dbraw/zinc/60/67/10/369606710.db2.gz KRFHJFQQCDAZSL-UHFFFAOYSA-N 1 1 262.334 3.288 20 5 CGBDMO C[N@@H+](Cc1ccsc1)Cc1ccccc1[N+](=O)[O-] ZINC000061800440 369606716 /nfs/dbraw/zinc/60/67/16/369606716.db2.gz KRFHJFQQCDAZSL-UHFFFAOYSA-N 1 1 262.334 3.288 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000344000660 217009642 /nfs/dbraw/zinc/00/96/42/217009642.db2.gz XOAQEXIFBSUFGI-ZDUSSCGKSA-N 1 1 290.363 3.225 20 5 CGBDMO Cc1cnc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000134911062 371375116 /nfs/dbraw/zinc/37/51/16/371375116.db2.gz QSWMOMJCHFISKM-SNVBAGLBSA-N 1 1 277.349 3.211 20 5 CGBDMO CC[N@@H+](CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000156605954 371987972 /nfs/dbraw/zinc/98/79/72/371987972.db2.gz ZRCMRMYLCDDPKB-CQSZACIVSA-N 1 1 293.411 3.284 20 5 CGBDMO CCN(CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000156605954 371987975 /nfs/dbraw/zinc/98/79/75/371987975.db2.gz ZRCMRMYLCDDPKB-CQSZACIVSA-N 1 1 293.411 3.284 20 5 CGBDMO CCC[C@@H](NC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423220307 372040119 /nfs/dbraw/zinc/04/01/19/372040119.db2.gz XZBVGMMVVLPLOX-XJKSGUPXSA-N 1 1 291.395 3.025 20 5 CGBDMO C[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425423531 372126625 /nfs/dbraw/zinc/12/66/25/372126625.db2.gz UYPOXXKADJGNSL-SECBINFHSA-N 1 1 299.168 3.342 20 5 CGBDMO C[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425423531 372126634 /nfs/dbraw/zinc/12/66/34/372126634.db2.gz UYPOXXKADJGNSL-SECBINFHSA-N 1 1 299.168 3.342 20 5 CGBDMO Cc1c(C[N@H+]2CCCO[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000293074511 372292782 /nfs/dbraw/zinc/29/27/82/372292782.db2.gz JDHUALXDDYWVSF-INIZCTEOSA-N 1 1 292.379 3.150 20 5 CGBDMO CCCC[N@H+](C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163509577 372476090 /nfs/dbraw/zinc/47/60/90/372476090.db2.gz QZIQEPMBFLVMFL-CQSZACIVSA-N 1 1 293.411 3.286 20 5 CGBDMO CCCC[N@@H+](C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163509577 372476095 /nfs/dbraw/zinc/47/60/95/372476095.db2.gz QZIQEPMBFLVMFL-CQSZACIVSA-N 1 1 293.411 3.286 20 5 CGBDMO Cc1ccc(NC[C@H]2CCCC[N@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000433808441 372635028 /nfs/dbraw/zinc/63/50/28/372635028.db2.gz PLFIAMUWESCDFR-CQSZACIVSA-N 1 1 289.379 3.332 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1C ZINC000172861276 373050948 /nfs/dbraw/zinc/05/09/48/373050948.db2.gz DONKBQNILSTOGJ-NXEZZACHSA-N 1 1 254.355 3.277 20 5 CGBDMO COc1cc(C[N@H+]2CCCC23CCC3)ccc1[N+](=O)[O-] ZINC000444796444 373279011 /nfs/dbraw/zinc/27/90/11/373279011.db2.gz ZSIMPJLUZGMZDH-UHFFFAOYSA-N 1 1 276.336 3.122 20 5 CGBDMO O=[N+]([O-])c1ccccc1NCCNc1cc[nH+]cc1Cl ZINC000175018993 373397059 /nfs/dbraw/zinc/39/70/59/373397059.db2.gz HFCNONRBRXQRIE-UHFFFAOYSA-N 1 1 292.726 3.167 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000449505093 373804540 /nfs/dbraw/zinc/80/45/40/373804540.db2.gz QWFWNDYDAYGCQW-QMTHXVAHSA-N 1 1 298.770 3.105 20 5 CGBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000301551238 373785085 /nfs/dbraw/zinc/78/50/85/373785085.db2.gz QRNIWNTWLGDJPP-GXFFZTMASA-N 1 1 297.786 3.025 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC12CCC2 ZINC000353668469 220240593 /nfs/dbraw/zinc/24/05/93/220240593.db2.gz GGKDJFGVLVJTJS-ZZXKWVIFSA-N 1 1 258.321 3.236 20 5 CGBDMO C[C@@H]1C[C@H](N(C)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000302793662 373965676 /nfs/dbraw/zinc/96/56/76/373965676.db2.gz ZXHXQYJOGKGTMB-ZYHUDNBSSA-N 1 1 297.786 3.167 20 5 CGBDMO CO[C@@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000451575141 374204042 /nfs/dbraw/zinc/20/40/42/374204042.db2.gz SBSNSDIBKAPACQ-WOSRLPQWSA-N 1 1 292.379 3.321 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000182662831 374308555 /nfs/dbraw/zinc/30/85/55/374308555.db2.gz AKJYZTBPUOEGGE-JSGCOSHPSA-N 1 1 278.352 3.075 20 5 CGBDMO CCCc1ncc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000453360363 374448269 /nfs/dbraw/zinc/44/82/69/374448269.db2.gz FGTCNYUIOHYYIR-NSHDSACASA-N 1 1 289.335 3.386 20 5 CGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331544973 374541729 /nfs/dbraw/zinc/54/17/29/374541729.db2.gz SOPHVQSQQZYUBU-MNOVXSKESA-N 1 1 288.351 3.092 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000464832034 374907416 /nfs/dbraw/zinc/90/74/16/374907416.db2.gz LFZVTVLCBSONGS-AOOOYVTPSA-N 1 1 268.744 3.336 20 5 CGBDMO C[C@@H]1CCCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000187956350 375126463 /nfs/dbraw/zinc/12/64/63/375126463.db2.gz MWVBSOXJFPKSDJ-LLVKDONJSA-N 1 1 289.335 3.358 20 5 CGBDMO Cc1cscc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336811711 375962981 /nfs/dbraw/zinc/96/29/81/375962981.db2.gz OETLZCZTRWBEAI-UHFFFAOYSA-N 1 1 280.324 3.394 20 5 CGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000540055777 376354257 /nfs/dbraw/zinc/35/42/57/376354257.db2.gz JNNCOGJYBCATNY-CHWSQXEVSA-N 1 1 278.352 3.237 20 5 CGBDMO Cc1cccc(NCCNc2cccc(C)c2[N+](=O)[O-])[nH+]1 ZINC000338667245 376470606 /nfs/dbraw/zinc/47/06/06/376470606.db2.gz CJKOLNWHUPOZDC-UHFFFAOYSA-N 1 1 286.335 3.131 20 5 CGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CC=CCC1 ZINC000544118076 376704972 /nfs/dbraw/zinc/70/49/72/376704972.db2.gz URNNEHFSSBSMBK-HNNXBMFYSA-N 1 1 274.364 3.425 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000245517150 376840540 /nfs/dbraw/zinc/84/05/40/376840540.db2.gz GQBMUVGDCQQLKB-ZENOOKHLSA-N 1 1 292.379 3.057 20 5 CGBDMO C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000341186373 377438303 /nfs/dbraw/zinc/43/83/03/377438303.db2.gz YECVCZANXIDLQG-SNVBAGLBSA-N 1 1 268.744 3.480 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000341186373 377438309 /nfs/dbraw/zinc/43/83/09/377438309.db2.gz YECVCZANXIDLQG-SNVBAGLBSA-N 1 1 268.744 3.480 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCS[C@@H](C)CC1 ZINC000249049498 377450788 /nfs/dbraw/zinc/45/07/88/377450788.db2.gz OCHYSKZKPNZHHQ-NWDGAFQWSA-N 1 1 280.393 3.483 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000341272936 377482312 /nfs/dbraw/zinc/48/23/12/377482312.db2.gz DUHKBHDPLRCNHI-GHMZBOCLSA-N 1 1 296.342 3.220 20 5 CGBDMO CC(C)CCOCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605739 249027148 /nfs/dbraw/zinc/02/71/48/249027148.db2.gz SRLBXECHNQSXCY-UHFFFAOYSA-N 1 1 292.379 3.016 20 5 CGBDMO CC(C)CCOCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605739 249027149 /nfs/dbraw/zinc/02/71/49/249027149.db2.gz SRLBXECHNQSXCY-UHFFFAOYSA-N 1 1 292.379 3.016 20 5 CGBDMO CC[C@@]1(CO)CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249533092 377513177 /nfs/dbraw/zinc/51/31/77/377513177.db2.gz BMTLJUJEWGNXCA-CZUORRHYSA-N 1 1 292.379 3.140 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000342996699 377878743 /nfs/dbraw/zinc/87/87/43/377878743.db2.gz BIMJECAZCAUCQJ-OAHLLOKOSA-N 1 1 260.337 3.359 20 5 CGBDMO Cc1ncc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000579093532 378130251 /nfs/dbraw/zinc/13/02/51/378130251.db2.gz LYUONFYUGMVRFW-JTQLQIEISA-N 1 1 275.308 3.050 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC000350285761 379535900 /nfs/dbraw/zinc/53/59/00/379535900.db2.gz JEGLUJMZCUMSQK-SNVBAGLBSA-N 1 1 266.316 3.354 20 5 CGBDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267012071 190296445 /nfs/dbraw/zinc/29/64/45/190296445.db2.gz NAKQBTCEJMRULL-JTQLQIEISA-N 1 1 286.372 3.307 20 5 CGBDMO CC[C@@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCCO1 ZINC000281303572 379828182 /nfs/dbraw/zinc/82/81/82/379828182.db2.gz HPSLGDGHBKYNNE-DZGCQCFKSA-N 1 1 292.379 3.465 20 5 CGBDMO CCC[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000355538660 380704939 /nfs/dbraw/zinc/70/49/39/380704939.db2.gz BVWBNSJFDMQJDX-UHFFFAOYSA-N 1 1 266.341 3.225 20 5 CGBDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000357026166 380997161 /nfs/dbraw/zinc/99/71/61/380997161.db2.gz BTXSLFSCAJWZGV-JTQLQIEISA-N 1 1 266.316 3.354 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CC1CC1)C1CCC1 ZINC000361587825 381819834 /nfs/dbraw/zinc/81/98/34/381819834.db2.gz WYSUHYLRUBTBNY-UHFFFAOYSA-N 1 1 290.363 3.368 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@@H]2C2CCC2)cc1 ZINC000418132984 285113504 /nfs/dbraw/zinc/11/35/04/285113504.db2.gz ZYVDOXFGEIMABA-OAHLLOKOSA-N 1 1 292.404 3.312 20 5 CGBDMO COC[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000452076438 285273154 /nfs/dbraw/zinc/27/31/54/285273154.db2.gz DZBNUHSBNXDWSB-ZIAGYGMSSA-N 1 1 292.379 3.404 20 5 CGBDMO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000281358092 195210741 /nfs/dbraw/zinc/21/07/41/195210741.db2.gz UQXHAGPWHROYII-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000281358092 195210743 /nfs/dbraw/zinc/21/07/43/195210743.db2.gz UQXHAGPWHROYII-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)C(C)C ZINC000065299246 392146691 /nfs/dbraw/zinc/14/66/91/392146691.db2.gz GFRWRXMCZJPPPW-GFCCVEGCSA-N 1 1 280.368 3.470 20 5 CGBDMO C[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000071954247 392194156 /nfs/dbraw/zinc/19/41/56/392194156.db2.gz DVIPWDFHXAVLCO-NEPJUHHUSA-N 1 1 295.358 3.266 20 5 CGBDMO CO[C@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000189281804 392804325 /nfs/dbraw/zinc/80/43/25/392804325.db2.gz ZJEGICGRQLKHOE-HUBLWGQQSA-N 1 1 278.352 3.013 20 5 CGBDMO CC/C=C\CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511112182 392827905 /nfs/dbraw/zinc/82/79/05/392827905.db2.gz XWMSFXRTKPAZDB-PLNGDYQASA-N 1 1 262.353 3.425 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511136747 392829990 /nfs/dbraw/zinc/82/99/90/392829990.db2.gz KIZWSYONRIYXHI-GFCCVEGCSA-N 1 1 250.342 3.258 20 5 CGBDMO Cc1cc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)nc(C)[nH+]1 ZINC000194069626 392899713 /nfs/dbraw/zinc/89/97/13/392899713.db2.gz PDERVNLVXWIVKB-JTQLQIEISA-N 1 1 272.308 3.175 20 5 CGBDMO CC[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000522710876 392932342 /nfs/dbraw/zinc/93/23/42/392932342.db2.gz AHGKVALBXFASHE-AWEZNQCLSA-N 1 1 292.379 3.486 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCCSCC1 ZINC000270662889 393240307 /nfs/dbraw/zinc/24/03/07/393240307.db2.gz SDYJMHYRJUQEDV-UHFFFAOYSA-N 1 1 286.784 3.187 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCCSCC1 ZINC000270662889 393240316 /nfs/dbraw/zinc/24/03/16/393240316.db2.gz SDYJMHYRJUQEDV-UHFFFAOYSA-N 1 1 286.784 3.187 20 5 CGBDMO CC[C@H]1CC[N@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000430185103 393533559 /nfs/dbraw/zinc/53/35/59/393533559.db2.gz CGXIQMYXQQBTFZ-TZIYXEQSSA-N 1 1 260.337 3.482 20 5 CGBDMO CC[C@H](C)C[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430193113 393536189 /nfs/dbraw/zinc/53/61/89/393536189.db2.gz FBKQIPQMDNJOJS-LBPRGKRZSA-N 1 1 280.368 3.471 20 5 CGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430239155 393546424 /nfs/dbraw/zinc/54/64/24/393546424.db2.gz MVSWZRYLKZFOEU-DGCLKSJQSA-N 1 1 278.352 3.224 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC(C)=C(C)C1 ZINC000430241080 393548241 /nfs/dbraw/zinc/54/82/41/393548241.db2.gz NBFSSIZWBIJURT-UHFFFAOYSA-N 1 1 276.336 3.146 20 5 CGBDMO CO[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000443072667 393743180 /nfs/dbraw/zinc/74/31/80/393743180.db2.gz VPOAUWWRILTQPS-BBUPELFUSA-N 1 1 290.363 3.107 20 5 CGBDMO CCOc1cc(C[N@@H+](C)[C@@H](C)C(C)C)ccc1[N+](=O)[O-] ZINC000492506793 393746573 /nfs/dbraw/zinc/74/65/73/393746573.db2.gz CTTHLUWOIYXECH-LBPRGKRZSA-N 1 1 280.368 3.470 20 5 CGBDMO CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000361154854 393687477 /nfs/dbraw/zinc/68/74/77/393687477.db2.gz QZGURYBRNXNAPO-OCCSQVGLSA-N 1 1 293.411 3.284 20 5 CGBDMO C[C@H]1CCCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444650992 393790522 /nfs/dbraw/zinc/79/05/22/393790522.db2.gz FFCMCUORZYGLGG-NSHDSACASA-N 1 1 288.351 3.236 20 5 CGBDMO CCCc1ncc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453391835 394229527 /nfs/dbraw/zinc/22/95/27/394229527.db2.gz QQRBPIPBNBBOII-NSHDSACASA-N 1 1 289.335 3.386 20 5 CGBDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000076149975 165108249 /nfs/dbraw/zinc/10/82/49/165108249.db2.gz FXIBYLQJMWYRRZ-VHSXEESVSA-N 1 1 254.355 3.277 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000093443007 287116613 /nfs/dbraw/zinc/11/66/13/287116613.db2.gz ZXTGVXGPAQWWSC-WNTTXKOVSA-N 1 1 272.348 3.340 20 5 CGBDMO C[C@@H]1SCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000093499836 287117024 /nfs/dbraw/zinc/11/70/24/287117024.db2.gz MUANCIBOSZIRRM-YTDWTQRBSA-N 1 1 292.404 3.434 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccco2)cc1[N+](=O)[O-] ZINC000020084068 170987241 /nfs/dbraw/zinc/98/72/41/170987241.db2.gz PDEUMPVZQCQULK-LLVKDONJSA-N 1 1 260.293 3.347 20 5 CGBDMO Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000284865040 196147166 /nfs/dbraw/zinc/14/71/66/196147166.db2.gz DJORXYGQHBNMOG-HOCLYGCPSA-N 1 1 290.363 3.047 20 5 CGBDMO C[C@@H](CNc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000071954214 176304251 /nfs/dbraw/zinc/30/42/51/176304251.db2.gz WFPBEVPQSHDGCR-STQMWFEESA-N 1 1 277.368 3.127 20 5 CGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H](C)C(C)C ZINC000520059680 270098621 /nfs/dbraw/zinc/09/86/21/270098621.db2.gz FKIIGAZJWJTHON-GFCCVEGCSA-N 1 1 280.368 3.470 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000531440287 270206839 /nfs/dbraw/zinc/20/68/39/270206839.db2.gz CVYJXPOMCCJCMY-MRXNPFEDSA-N 1 1 283.331 3.327 20 5 CGBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000353963901 274087158 /nfs/dbraw/zinc/08/71/58/274087158.db2.gz YVKKIKLBBFSMSN-GDBMZVCRSA-N 1 1 292.379 3.230 20 5 CGBDMO C[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000038028837 278208963 /nfs/dbraw/zinc/20/89/63/278208963.db2.gz XGOJFKQEHGHESM-KGLIPLIRSA-N 1 1 291.395 3.120 20 5 CGBDMO CC(C)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000532478884 288364071 /nfs/dbraw/zinc/36/40/71/288364071.db2.gz SPAJGFNPEINHAM-UHFFFAOYSA-N 1 1 280.368 3.340 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CC[N@H+]([C@@H]1C=CCCC1)C2 ZINC000533800558 288394958 /nfs/dbraw/zinc/39/49/58/288394958.db2.gz SKODHZQWVRCRTC-CYBMUJFWSA-N 1 1 258.321 3.062 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+](CC2(F)CC2)C2CC2)cc1 ZINC000555340608 289340068 /nfs/dbraw/zinc/34/00/68/289340068.db2.gz GJTQWOZFIILYTR-UHFFFAOYSA-N 1 1 264.300 3.061 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CC2(F)CC2)C2CC2)cc1 ZINC000555340608 289340072 /nfs/dbraw/zinc/34/00/72/289340072.db2.gz GJTQWOZFIILYTR-UHFFFAOYSA-N 1 1 264.300 3.061 20 5 CGBDMO Cc1noc(C)c1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000153940267 321731207 /nfs/dbraw/zinc/73/12/07/321731207.db2.gz ZFSBHAPDOSSCEP-JTQLQIEISA-N 1 1 289.335 3.359 20 5 CGBDMO CCOc1cc(C[N@@H+](C)[C@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000571950332 322313716 /nfs/dbraw/zinc/31/37/16/322313716.db2.gz UWEDCTGLZXZKFH-LLVKDONJSA-N 1 1 278.352 3.224 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCCCC1 ZINC000104661032 519782125 /nfs/dbraw/zinc/78/21/25/519782125.db2.gz KGXLHFUKQRWMTH-UHFFFAOYSA-N 1 1 278.352 3.368 20 5 CGBDMO CO[C@]1(C)CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000279249746 521753229 /nfs/dbraw/zinc/75/32/29/521753229.db2.gz HAJUOXPINIGOKJ-IUODEOHRSA-N 1 1 278.352 3.157 20 5 CGBDMO C[C@H](C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000183924012 524296288 /nfs/dbraw/zinc/29/62/88/524296288.db2.gz RQKRNGPGDQKAPK-LLVKDONJSA-N 1 1 291.376 3.287 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000183673768 525563498 /nfs/dbraw/zinc/56/34/98/525563498.db2.gz ZUSGVXZEFKHYPH-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000183673768 525563509 /nfs/dbraw/zinc/56/35/09/525563509.db2.gz ZUSGVXZEFKHYPH-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000463023185 535765483 /nfs/dbraw/zinc/76/54/83/535765483.db2.gz HBNMXIIWCWWTKB-RCBBPTIPSA-N 1 1 290.363 3.109 20 5 CGBDMO Cc1cc(F)ncc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000893278535 619061626 /nfs/dbraw/zinc/06/16/26/619061626.db2.gz GKSZBZCZXWIWBJ-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894498953 619553775 /nfs/dbraw/zinc/55/37/75/619553775.db2.gz MIRCELAJBQCHFX-ZYHUDNBSSA-N 1 1 294.351 3.072 20 5 CGBDMO CCO[C@H]1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000897068862 620134337 /nfs/dbraw/zinc/13/43/37/620134337.db2.gz ZYJSIKUCCSTWNO-WQMJKPAKSA-N 1 1 290.363 3.109 20 5 CGBDMO CS[C@H]1CCCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000179114994 620302853 /nfs/dbraw/zinc/30/28/53/620302853.db2.gz MSTCRLMPMQTHCH-ZDUSSCGKSA-N 1 1 298.383 3.451 20 5 CGBDMO COc1cc([C@H](C)[NH2+]Cc2ccoc2C)cc([N+](=O)[O-])c1 ZINC000903080351 621560859 /nfs/dbraw/zinc/56/08/59/621560859.db2.gz GJXOAWXBBIFXRB-JTQLQIEISA-N 1 1 290.319 3.356 20 5 CGBDMO COc1cc([C@H](C)Nc2cc(C)cc[nH+]2)cc([N+](=O)[O-])c1 ZINC000903132712 621592741 /nfs/dbraw/zinc/59/27/41/621592741.db2.gz WNMKHBRMCHFXDV-NSHDSACASA-N 1 1 287.319 3.480 20 5 CGBDMO CC(C)[N@@H+](C)CC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000917092134 624238437 /nfs/dbraw/zinc/23/84/37/624238437.db2.gz MJXDJUJOTGPFOC-UHFFFAOYSA-N 1 1 291.395 3.151 20 5 CGBDMO CC[C@]1(C)CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154380526 624267111 /nfs/dbraw/zinc/26/71/11/624267111.db2.gz HNQGGGPHLJPJNF-JKSUJKDBSA-N 1 1 292.379 3.140 20 5 CGBDMO Cc1csc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000069168469 624801477 /nfs/dbraw/zinc/80/14/77/624801477.db2.gz XYDGVMKGYRWZGV-SNVBAGLBSA-N 1 1 277.349 3.211 20 5 CGBDMO Cc1coc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000922539733 626011356 /nfs/dbraw/zinc/01/13/56/626011356.db2.gz DBEIQYLDRBEEPK-LLVKDONJSA-N 1 1 260.293 3.347 20 5 CGBDMO CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000839665109 626773040 /nfs/dbraw/zinc/77/30/40/626773040.db2.gz ZENYREAUNDCIKU-OAHLLOKOSA-N 1 1 292.379 3.139 20 5 CGBDMO Cc1c([C@@H](C)NCC[N@@H+]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000766270442 627308500 /nfs/dbraw/zinc/30/85/00/627308500.db2.gz BYNYXACYFIUMHL-TZMCWYRMSA-N 1 1 291.395 3.038 20 5 CGBDMO Cc1c([C@@H](C)NCC[N@H+]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000766270442 627308505 /nfs/dbraw/zinc/30/85/05/627308505.db2.gz BYNYXACYFIUMHL-TZMCWYRMSA-N 1 1 291.395 3.038 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(F)cn2)cc1Cl ZINC000783650872 628735185 /nfs/dbraw/zinc/73/51/85/628735185.db2.gz OESVWLWZVWHJCJ-UHFFFAOYSA-N 1 1 295.701 3.072 20 5 CGBDMO CC(C)C1C[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000793191032 629426226 /nfs/dbraw/zinc/42/62/26/629426226.db2.gz JDMRHTFJWXSNJH-UHFFFAOYSA-N 1 1 268.744 3.336 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000798963107 630129162 /nfs/dbraw/zinc/12/91/62/630129162.db2.gz XEQHKFPORIAVLV-OAHLLOKOSA-N 1 1 297.358 3.288 20 5 CGBDMO Cc1nn(C[N@H+]2CC[C@@H](CC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000840149023 630682148 /nfs/dbraw/zinc/68/21/48/630682148.db2.gz CYBYUIKHWCZKON-ZDUSSCGKSA-N 1 1 294.399 3.124 20 5 CGBDMO CC(C)([NH2+]Cc1ccc(F)nc1)c1ccccc1[N+](=O)[O-] ZINC000813791957 631462686 /nfs/dbraw/zinc/46/26/86/631462686.db2.gz MTOKTRMKVQWMIV-UHFFFAOYSA-N 1 1 289.310 3.154 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@H]1CCSC1 ZINC000876572946 634860309 /nfs/dbraw/zinc/86/03/09/634860309.db2.gz KWZCTZKGJBZCLC-LBPRGKRZSA-N 1 1 280.393 3.149 20 5 CGBDMO CC(C)CC(=O)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000828469844 633617675 /nfs/dbraw/zinc/61/76/75/633617675.db2.gz USVYIRRNLXGGEJ-UHFFFAOYSA-N 1 1 292.379 3.074 20 5 CGBDMO Cc1csc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000873010847 634231283 /nfs/dbraw/zinc/23/12/83/634231283.db2.gz NKDKDAKDEVMLJV-UHFFFAOYSA-N 1 1 291.376 3.266 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000877635437 635124922 /nfs/dbraw/zinc/12/49/22/635124922.db2.gz QZMDKCPCXQDNLJ-CHWSQXEVSA-N 1 1 260.337 3.053 20 5 CGBDMO Cc1ccc(C[NH2+]Cc2ccc3c(n2)CCC3)cc1[N+](=O)[O-] ZINC000877730244 635165876 /nfs/dbraw/zinc/16/58/76/635165876.db2.gz RWLCXAXHITVIRS-UHFFFAOYSA-N 1 1 297.358 3.077 20 5 CGBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000842168014 635303958 /nfs/dbraw/zinc/30/39/58/635303958.db2.gz ZKSXMGYBZAHIRA-OUAUKWLOSA-N 1 1 266.316 3.210 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CF)C1 ZINC000880235649 635947469 /nfs/dbraw/zinc/94/74/69/635947469.db2.gz RBNDAEGRQTZXOU-RYUDHWBXSA-N 1 1 266.316 3.337 20 5 CGBDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886016795 637366422 /nfs/dbraw/zinc/36/64/22/637366422.db2.gz LXAYGYGKXSASQK-TZMCWYRMSA-N 1 1 277.368 3.390 20 5 CGBDMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886122464 637425135 /nfs/dbraw/zinc/42/51/35/637425135.db2.gz BJOJBKNJAMLORM-IUODEOHRSA-N 1 1 275.352 3.002 20 5 CGBDMO C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000886682275 637649190 /nfs/dbraw/zinc/64/91/90/637649190.db2.gz DAFQBJKXZBBMII-SNVBAGLBSA-N 1 1 287.319 3.311 20 5 CGBDMO Cc1nnsc1[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000930236832 638985257 /nfs/dbraw/zinc/98/52/57/638985257.db2.gz ZJDOIBAMOUNTHI-BDAKNGLRSA-N 1 1 292.364 3.167 20 5 CGBDMO CC[C@@H]1CCCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246294763 640668854 /nfs/dbraw/zinc/66/88/54/640668854.db2.gz PDYJCKBHUJYINK-GDBMZVCRSA-N 1 1 292.379 3.283 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774160 640802085 /nfs/dbraw/zinc/80/20/85/640802085.db2.gz ZMWBPRALXGYNJR-PHIMTYICSA-N 1 1 266.316 3.497 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001254550278 806447607 /nfs/dbraw/zinc/44/76/07/806447607.db2.gz HCKSHZGFJGZAOJ-CHWSQXEVSA-N 1 1 262.353 3.258 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254552004 806448232 /nfs/dbraw/zinc/44/82/32/806448232.db2.gz HVNMKVOXDFUUGW-VXGBXAGGSA-N 1 1 250.342 3.256 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccncc1 ZINC001254552076 806449336 /nfs/dbraw/zinc/44/93/36/806449336.db2.gz JBGMQTDXVSKQQX-ZDUSSCGKSA-N 1 1 285.347 3.053 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H](F)C1 ZINC001254553354 806449793 /nfs/dbraw/zinc/44/97/93/806449793.db2.gz VIIGVJLNHPGVCP-OCCSQVGLSA-N 1 1 280.343 3.350 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H](F)C1 ZINC001254553352 806450124 /nfs/dbraw/zinc/45/01/24/806450124.db2.gz VIIGVJLNHPGVCP-GXTWGEPZSA-N 1 1 280.343 3.350 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CCCCO1 ZINC001254561639 806451642 /nfs/dbraw/zinc/45/16/42/806451642.db2.gz HIDSDUVBQQOZGV-UKRRQHHQSA-N 1 1 292.379 3.027 20 5 CGBDMO CC(C)[N@@H+](CC1CC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598537 806458356 /nfs/dbraw/zinc/45/83/56/806458356.db2.gz HLWUZWYZCKIFGF-INIZCTEOSA-N 1 1 274.364 3.182 20 5 CGBDMO C[N@@H+](Cc1ccsc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604894 806460089 /nfs/dbraw/zinc/46/00/89/806460089.db2.gz YENHCIPYVXQIPD-OAHLLOKOSA-N 1 1 288.372 3.256 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](CF)C2)ccc1Cl ZINC000711470096 800061851 /nfs/dbraw/zinc/06/18/51/800061851.db2.gz KOBRBZMVMDIPLZ-LLVKDONJSA-N 1 1 286.734 3.430 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](CF)C2)ccc1Cl ZINC000711470096 800061859 /nfs/dbraw/zinc/06/18/59/800061859.db2.gz KOBRBZMVMDIPLZ-LLVKDONJSA-N 1 1 286.734 3.430 20 5 CGBDMO Cc1ccc(Cn2cc[nH+]c2C(C)C)cc1[N+](=O)[O-] ZINC000714027116 800117071 /nfs/dbraw/zinc/11/70/71/800117071.db2.gz ARGZZOJBGVBTEW-UHFFFAOYSA-N 1 1 259.309 3.271 20 5 CGBDMO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1ccccc1[N+](=O)[O-] ZINC000715930666 800153921 /nfs/dbraw/zinc/15/39/21/800153921.db2.gz IHHZHWCSEPELNC-ZJUUUORDSA-N 1 1 277.349 3.463 20 5 CGBDMO C[NH+](C)/C=C/c1cc(NC(C)(C)C2CC2)ncc1[N+](=O)[O-] ZINC001155069268 805533501 /nfs/dbraw/zinc/53/35/01/805533501.db2.gz YAJVIVXKHTVWJS-BQYQJAHWSA-N 1 1 290.367 3.123 20 5 CGBDMO Cc1cccc([C@H]2CCCC[N@H+]2CC[N+](=O)[O-])c1C ZINC001167490917 807199590 /nfs/dbraw/zinc/19/95/90/807199590.db2.gz JVYDDNOXRVWGLJ-OAHLLOKOSA-N 1 1 262.353 3.107 20 5 CGBDMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001261638138 807771339 /nfs/dbraw/zinc/77/13/39/807771339.db2.gz RJQIUAXPGAMMCK-STQMWFEESA-N 1 1 298.383 3.450 20 5 CGBDMO CC(F)(F)CCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001262232140 807839321 /nfs/dbraw/zinc/83/93/21/807839321.db2.gz WAZQEAFIIOZJJV-UHFFFAOYSA-N 1 1 284.306 3.388 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@H](F)C1)CC2 ZINC001172908513 808476448 /nfs/dbraw/zinc/47/64/48/808476448.db2.gz DAQSMVQYKKXEKT-LSDHHAIUSA-N 1 1 292.354 3.276 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC(C)C1 ZINC001173222529 808540518 /nfs/dbraw/zinc/54/05/18/808540518.db2.gz SUYXKUMUJPMCOS-MQYJIDSJSA-N 1 1 262.353 3.256 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H](F)C1 ZINC001173228921 808542589 /nfs/dbraw/zinc/54/25/89/808542589.db2.gz NPXGKERCZDQLLI-TZMCWYRMSA-N 1 1 280.343 3.350 20 5 CGBDMO Cc1cc2c(cn1)C[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173232725 808543657 /nfs/dbraw/zinc/54/36/57/808543657.db2.gz HIHTUZDPHIWMSM-CYBMUJFWSA-N 1 1 297.358 3.245 20 5 CGBDMO Cc1cc2c(cn1)C[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173232725 808543664 /nfs/dbraw/zinc/54/36/64/808543664.db2.gz HIHTUZDPHIWMSM-CYBMUJFWSA-N 1 1 297.358 3.245 20 5 CGBDMO CC[C@]1(CCc2ccccc2)CCC[N@H+]1CC[N+](=O)[O-] ZINC001175758646 809534449 /nfs/dbraw/zinc/53/44/49/809534449.db2.gz QXKDLTNKLVRSOI-MRXNPFEDSA-N 1 1 276.380 3.141 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@]23CCCOC3)c1 ZINC001177008376 809773212 /nfs/dbraw/zinc/77/32/12/809773212.db2.gz JAMXNGMQKIEYRF-MRXNPFEDSA-N 1 1 290.363 3.130 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001186873345 810368838 /nfs/dbraw/zinc/36/88/38/810368838.db2.gz WILKGKMOEKLHBY-JSGCOSHPSA-N 1 1 293.342 3.163 20 5 CGBDMO COc1cc(Nc2cc([N+](=O)[O-])ccc2C)[nH+]cc1C ZINC001211288044 814871184 /nfs/dbraw/zinc/87/11/84/814871184.db2.gz CBZHMWXCRGWYHU-UHFFFAOYSA-N 1 1 273.292 3.359 20 5 CGBDMO CC(C)[N@H+]1CC[C@@H](O[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001224027444 816723053 /nfs/dbraw/zinc/72/30/53/816723053.db2.gz VIWAJNYKVUXYDC-SWLSCSKDSA-N 1 1 278.352 3.155 20 5 CGBDMO Cc1ccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc1[N+](=O)[O-] ZINC001226953238 817515919 /nfs/dbraw/zinc/51/59/19/817515919.db2.gz WSULKQNNNBDJMM-VIKVFOODSA-N 1 1 290.363 3.012 20 5 CGBDMO CC[N@H+]1CCC[C@H](Oc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001228000455 817779730 /nfs/dbraw/zinc/77/97/30/817779730.db2.gz LQKVYWWPFXZRFB-JTQLQIEISA-N 1 1 284.743 3.111 20 5 CGBDMO Cc1cc(O[C@H]2CC[N@H+](C(C)C)C2)c(C)c(C)c1[N+](=O)[O-] ZINC001234869850 818939865 /nfs/dbraw/zinc/93/98/65/818939865.db2.gz CYGNTCMDYPSCAH-AWEZNQCLSA-N 1 1 292.379 3.382 20 5 CGBDMO CCC1(CC)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001459652742 937494699 /nfs/dbraw/zinc/49/46/99/937494699.db2.gz UUHWSXIGLVLEJM-UHFFFAOYSA-N 1 1 292.379 3.486 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1O[C@@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001228922228 932051821 /nfs/dbraw/zinc/05/18/21/932051821.db2.gz XCRUPRVKZKZLQZ-YWVIFJGQSA-N 1 1 290.363 3.012 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)CCO1 ZINC001308166075 933063962 /nfs/dbraw/zinc/06/39/62/933063962.db2.gz HWHXNQXPSNYQFO-GHMZBOCLSA-N 1 1 298.770 3.248 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)CCO1 ZINC001308166075 933063965 /nfs/dbraw/zinc/06/39/65/933063965.db2.gz HWHXNQXPSNYQFO-GHMZBOCLSA-N 1 1 298.770 3.248 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCC1CCOCC1)C2 ZINC001321021873 934135904 /nfs/dbraw/zinc/13/59/04/934135904.db2.gz MMSMCJJUYFNXPJ-UHFFFAOYSA-N 1 1 290.363 3.117 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCC1CCOCC1)C2 ZINC001321021873 934135908 /nfs/dbraw/zinc/13/59/08/934135908.db2.gz MMSMCJJUYFNXPJ-UHFFFAOYSA-N 1 1 290.363 3.117 20 5 CGBDMO CC[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC001473403108 937805356 /nfs/dbraw/zinc/80/53/56/937805356.db2.gz QSJQWNYCAXIEGQ-WDEREUQCSA-N 1 1 289.335 3.356 20 5 CGBDMO CC1(C)CCC[C@@H]1[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC001559579298 938230143 /nfs/dbraw/zinc/23/01/43/938230143.db2.gz HCOCKYXDCADJOF-HNNXBMFYSA-N 1 1 276.380 3.344 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](F)C1 ZINC001560919334 938283952 /nfs/dbraw/zinc/28/39/52/938283952.db2.gz AXHMYWFLYLDZKY-GFCCVEGCSA-N 1 1 266.316 3.146 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](F)C1 ZINC001560919334 938283954 /nfs/dbraw/zinc/28/39/54/938283954.db2.gz AXHMYWFLYLDZKY-GFCCVEGCSA-N 1 1 266.316 3.146 20 5 CGBDMO Cc1c(C[N@H+](Cc2ccncc2)C2CC2)cccc1[N+](=O)[O-] ZINC000124869336 187158691 /nfs/dbraw/zinc/15/86/91/187158691.db2.gz RKBXXPLLXIYAAE-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1c(C[N@@H+](Cc2ccncc2)C2CC2)cccc1[N+](=O)[O-] ZINC000124869336 187158692 /nfs/dbraw/zinc/15/86/92/187158692.db2.gz RKBXXPLLXIYAAE-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO CC[C@H](NC[C@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423250763 529619130 /nfs/dbraw/zinc/61/91/30/529619130.db2.gz VGLBWFUONNNFSY-IRXDYDNUSA-N 1 1 299.374 3.336 20 5 CGBDMO CCC(C)(C)[N@@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593016638 347028066 /nfs/dbraw/zinc/02/80/66/347028066.db2.gz UZPLQAVENOPKBF-UHFFFAOYSA-N 1 1 294.351 3.002 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118753 347042363 /nfs/dbraw/zinc/04/23/63/347042363.db2.gz YHURJBYHBRFGJJ-ZWNOBZJWSA-N 1 1 282.290 3.387 20 5 CGBDMO Cc1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000040624248 344964987 /nfs/dbraw/zinc/96/49/87/344964987.db2.gz XWROIFMWOYMNDC-ZDUSSCGKSA-N 1 1 277.368 3.045 20 5 CGBDMO C[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000063302160 345245866 /nfs/dbraw/zinc/24/58/66/345245866.db2.gz DMWHYECIDOHLAR-CYBMUJFWSA-N 1 1 278.352 3.096 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@@H+](Cc2ccncc2)C2CC2)cc1 ZINC000124900361 232188688 /nfs/dbraw/zinc/18/86/88/232188688.db2.gz DEGDCIKGVJSKTC-UHFFFAOYSA-N 1 1 297.358 3.197 20 5 CGBDMO Cc1[nH+]ccn1CCCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000078336087 345601446 /nfs/dbraw/zinc/60/14/46/345601446.db2.gz HECKYRJBNZJJDH-UHFFFAOYSA-N 1 1 292.314 3.131 20 5 CGBDMO Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000089512757 345769889 /nfs/dbraw/zinc/76/98/89/345769889.db2.gz YPDVSPXVKWLEAX-SECBINFHSA-N 1 1 277.349 3.211 20 5 CGBDMO CCCC[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089882802 345775720 /nfs/dbraw/zinc/77/57/20/345775720.db2.gz OWMYTHMWYMBHEO-UHFFFAOYSA-N 1 1 289.335 3.482 20 5 CGBDMO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092471685 345842392 /nfs/dbraw/zinc/84/23/92/345842392.db2.gz ZUMCFLZJJRORCW-VIFPVBQESA-N 1 1 286.278 3.038 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092471685 345842395 /nfs/dbraw/zinc/84/23/95/345842395.db2.gz ZUMCFLZJJRORCW-VIFPVBQESA-N 1 1 286.278 3.038 20 5 CGBDMO Cc1cc(NC[C@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000092626597 345848276 /nfs/dbraw/zinc/84/82/76/345848276.db2.gz GWBOXXCMPPAPFO-CQSZACIVSA-N 1 1 291.395 3.436 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000593678666 347102861 /nfs/dbraw/zinc/10/28/61/347102861.db2.gz DPCQDHMGZPRAPI-CYBMUJFWSA-N 1 1 290.363 3.047 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000593678666 347102864 /nfs/dbraw/zinc/10/28/64/347102864.db2.gz DPCQDHMGZPRAPI-CYBMUJFWSA-N 1 1 290.363 3.047 20 5 CGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1sccc1[N+](=O)[O-] ZINC000589609013 346802602 /nfs/dbraw/zinc/80/26/02/346802602.db2.gz LDJSDBLYXVLLOB-SNVBAGLBSA-N 1 1 271.386 3.189 20 5 CGBDMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595289502 347287554 /nfs/dbraw/zinc/28/75/54/347287554.db2.gz SMKMQACOEVKRRA-SNVBAGLBSA-N 1 1 254.305 3.210 20 5 CGBDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595424321 347301569 /nfs/dbraw/zinc/30/15/69/347301569.db2.gz WMOAXFXJICAVLT-GFCCVEGCSA-N 1 1 286.372 3.307 20 5 CGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595440740 347303867 /nfs/dbraw/zinc/30/38/67/347303867.db2.gz GTBIEDRJKVXHSW-GWCFXTLKSA-N 1 1 266.316 3.354 20 5 CGBDMO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCCC[C@H]1C ZINC000595453608 347305827 /nfs/dbraw/zinc/30/58/27/347305827.db2.gz QGMINPRBUIPNDT-ZYHUDNBSSA-N 1 1 281.356 3.292 20 5 CGBDMO CC1=C[C@H](C)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595471600 347308736 /nfs/dbraw/zinc/30/87/36/347308736.db2.gz BXQNLDZXOGXOHH-JTQLQIEISA-N 1 1 264.300 3.132 20 5 CGBDMO CC1=C[C@H](C)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595471600 347308738 /nfs/dbraw/zinc/30/87/38/347308738.db2.gz BXQNLDZXOGXOHH-JTQLQIEISA-N 1 1 264.300 3.132 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC12CCCC2 ZINC000595567173 347320532 /nfs/dbraw/zinc/32/05/32/347320532.db2.gz JVDSXNSTYOQKDO-UHFFFAOYSA-N 1 1 264.300 3.252 20 5 CGBDMO CC[C@H](C)[N@@H+](CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595593048 347322826 /nfs/dbraw/zinc/32/28/26/347322826.db2.gz MPOBSFGDOBWFJG-NSHDSACASA-N 1 1 266.341 3.224 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000596308328 347413820 /nfs/dbraw/zinc/41/38/20/347413820.db2.gz RAMHVLMEMWWJTN-NSHDSACASA-N 1 1 281.331 3.019 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000596306790 347413961 /nfs/dbraw/zinc/41/39/61/347413961.db2.gz ICYZUCDVVIZERS-GFCCVEGCSA-N 1 1 277.368 3.127 20 5 CGBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000595858055 347368192 /nfs/dbraw/zinc/36/81/92/347368192.db2.gz RFDXJUHYDFVECY-CLYYMRHHSA-N 1 1 266.366 3.419 20 5 CGBDMO COc1cc(C[N@@H+](C)C[C@@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000595910234 347371411 /nfs/dbraw/zinc/37/14/11/347371411.db2.gz RXPYYYXUKWXHFV-LBPRGKRZSA-N 1 1 278.352 3.081 20 5 CGBDMO CCC[N@H+]1CC[C@@H](CNc2cc(C)sc2[N+](=O)[O-])C1 ZINC000596090011 347382691 /nfs/dbraw/zinc/38/26/91/347382691.db2.gz TVCUKUCIEVXMKG-NSHDSACASA-N 1 1 283.397 3.109 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000596337662 347423370 /nfs/dbraw/zinc/42/33/70/347423370.db2.gz ZOAMFJUEEOTYCV-SNVBAGLBSA-N 1 1 281.331 3.019 20 5 CGBDMO O=[N+]([O-])c1sccc1N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000596476294 347463810 /nfs/dbraw/zinc/46/38/10/347463810.db2.gz BUGPBLJCLOLEKW-NSHDSACASA-N 1 1 295.408 3.475 20 5 CGBDMO Cc1ccc(C[N@H+]2CCC[C@@H](CCF)C2)cc1[N+](=O)[O-] ZINC000597211196 347554986 /nfs/dbraw/zinc/55/49/86/347554986.db2.gz LGRYRVQRQKMUOU-ZDUSSCGKSA-N 1 1 280.343 3.475 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000597222032 347556464 /nfs/dbraw/zinc/55/64/64/347556464.db2.gz BBCNEVDBILMXHV-UZKRYLTISA-N 1 1 272.348 3.340 20 5 CGBDMO C[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000351858797 219227838 /nfs/dbraw/zinc/22/78/38/219227838.db2.gz NNDATZSAUUTSEN-JTQLQIEISA-N 1 1 284.306 3.495 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000351858797 219227841 /nfs/dbraw/zinc/22/78/41/219227841.db2.gz NNDATZSAUUTSEN-JTQLQIEISA-N 1 1 284.306 3.495 20 5 CGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000599164782 347722465 /nfs/dbraw/zinc/72/24/65/347722465.db2.gz MNNBZNGOYTWRMY-OAHLLOKOSA-N 1 1 275.352 3.024 20 5 CGBDMO CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602436998 347958272 /nfs/dbraw/zinc/95/82/72/347958272.db2.gz CEQCSUOIKIMSSB-UHFFFAOYSA-N 1 1 262.231 3.065 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[NH2+]C2(C(F)F)CCCC2)cc1 ZINC000602665148 348004289 /nfs/dbraw/zinc/00/42/89/348004289.db2.gz RFPNELKEXRICMF-UHFFFAOYSA-N 1 1 284.306 3.305 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(CCF)CC2)c(F)c1 ZINC000602734569 348021183 /nfs/dbraw/zinc/02/11/83/348021183.db2.gz RPHSLHCXKGJNCS-UHFFFAOYSA-N 1 1 284.306 3.306 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCO[C@@H]1C ZINC000602762249 348024763 /nfs/dbraw/zinc/02/47/63/348024763.db2.gz DECIOXOPRDASRL-UKRRQHHQSA-N 1 1 292.379 3.230 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1cccnc1[N+](=O)[O-] ZINC000603859713 348099293 /nfs/dbraw/zinc/09/92/93/348099293.db2.gz MLOAAKOFZDRELR-CYBMUJFWSA-N 1 1 292.383 3.056 20 5 CGBDMO CC(C)[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000604435526 348120244 /nfs/dbraw/zinc/12/02/44/348120244.db2.gz NSLLKCQTUYJVPI-HNNXBMFYSA-N 1 1 262.353 3.258 20 5 CGBDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000610215396 348367706 /nfs/dbraw/zinc/36/77/06/348367706.db2.gz PBDAXBMYGNDUGJ-UONOGXRCSA-N 1 1 292.379 3.484 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000610476544 348384455 /nfs/dbraw/zinc/38/44/55/348384455.db2.gz HBWUEYNPKIIAGJ-HNNXBMFYSA-N 1 1 290.363 3.368 20 5 CGBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000610133416 348363985 /nfs/dbraw/zinc/36/39/85/348363985.db2.gz OAFKJHUMZQHIOH-UWVGGRQHSA-N 1 1 268.744 3.479 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC3(CC3)CC2)cs1 ZINC000611177565 348426502 /nfs/dbraw/zinc/42/65/02/348426502.db2.gz NDCAQJYDITWEIG-UHFFFAOYSA-N 1 1 252.339 3.032 20 5 CGBDMO C[N@@H+](CCNc1sccc1[N+](=O)[O-])Cc1ccccc1 ZINC000611411784 348449091 /nfs/dbraw/zinc/44/90/91/348449091.db2.gz PBSAJJOXPIBSML-UHFFFAOYSA-N 1 1 291.376 3.200 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501609 348456973 /nfs/dbraw/zinc/45/69/73/348456973.db2.gz FRARXQZCITUGFB-MDZLAQPJSA-N 1 1 266.316 3.336 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501609 348456977 /nfs/dbraw/zinc/45/69/77/348456977.db2.gz FRARXQZCITUGFB-MDZLAQPJSA-N 1 1 266.316 3.336 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOCC12CCCC2 ZINC000612578770 348529803 /nfs/dbraw/zinc/52/98/03/348529803.db2.gz CUUOYTWDSHSULK-UHFFFAOYSA-N 1 1 290.363 3.048 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOCC12CCCC2 ZINC000612578770 348529804 /nfs/dbraw/zinc/52/98/04/348529804.db2.gz CUUOYTWDSHSULK-UHFFFAOYSA-N 1 1 290.363 3.048 20 5 CGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CCCC1 ZINC000612577303 348529818 /nfs/dbraw/zinc/52/98/18/348529818.db2.gz WUYSBBDSGRVUJE-UHFFFAOYSA-N 1 1 292.379 3.294 20 5 CGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614219065 348659098 /nfs/dbraw/zinc/65/90/98/348659098.db2.gz KHIPXLCZHMQESL-GXFFZTMASA-N 1 1 289.335 3.356 20 5 CGBDMO CCOc1cc(C[N@@H+](C)CCC(C)C)ccc1[N+](=O)[O-] ZINC000617196069 348928435 /nfs/dbraw/zinc/92/84/35/348928435.db2.gz NDUIOLLQZGQWGX-UHFFFAOYSA-N 1 1 280.368 3.471 20 5 CGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@H+]2C2CC2)s1 ZINC000617976626 349032249 /nfs/dbraw/zinc/03/22/49/349032249.db2.gz ABHWQTHJUFPULL-LLVKDONJSA-N 1 1 281.381 3.085 20 5 CGBDMO CC(C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC1 ZINC000618287200 349067218 /nfs/dbraw/zinc/06/72/18/349067218.db2.gz YBUYVFQMVQMGNA-UHFFFAOYSA-N 1 1 288.351 3.234 20 5 CGBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C[N@H+]1C1CC1 ZINC000122262873 187022763 /nfs/dbraw/zinc/02/27/63/187022763.db2.gz IYFAUUMZQMYZDX-ZJUUUORDSA-N 1 1 295.770 3.285 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccncc2)C2CC2)c1 ZINC000122277496 187024379 /nfs/dbraw/zinc/02/43/79/187024379.db2.gz BSJNLLHTFKVNMO-UHFFFAOYSA-N 1 1 283.331 3.154 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccncc2)C2CC2)c1 ZINC000122277496 187024380 /nfs/dbraw/zinc/02/43/80/187024380.db2.gz BSJNLLHTFKVNMO-UHFFFAOYSA-N 1 1 283.331 3.154 20 5 CGBDMO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000122885192 187057439 /nfs/dbraw/zinc/05/74/39/187057439.db2.gz UUYWMEVFGKVORU-UWVGGRQHSA-N 1 1 254.355 3.134 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCc2ccncc2)C2CC2)c1 ZINC000153233705 188071076 /nfs/dbraw/zinc/07/10/76/188071076.db2.gz NZFKCGYSXLZUIL-UHFFFAOYSA-N 1 1 297.358 3.197 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CC(CC(F)F)C1 ZINC000425366971 236238634 /nfs/dbraw/zinc/23/86/34/236238634.db2.gz RAHQCFKFIAOBHL-HYXAFXHYSA-N 1 1 282.290 3.195 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000426455467 236296157 /nfs/dbraw/zinc/29/61/57/236296157.db2.gz SQZNDHCEJOPCIM-IUODEOHRSA-N 1 1 290.363 3.368 20 5 CGBDMO CCC[N@H+]1CC[C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000301078315 200909024 /nfs/dbraw/zinc/90/90/24/200909024.db2.gz HPMPRFOCQWQXDV-LLVKDONJSA-N 1 1 297.786 3.392 20 5 CGBDMO C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000301414341 201000619 /nfs/dbraw/zinc/00/06/19/201000619.db2.gz LKKXHRTWXKVHFM-QWRGUYRKSA-N 1 1 297.786 3.167 20 5 CGBDMO CS[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000451328361 240275374 /nfs/dbraw/zinc/27/53/74/240275374.db2.gz UOVFICJCPUHXPH-SECBINFHSA-N 1 1 286.784 3.186 20 5 CGBDMO CS[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000451328361 240275378 /nfs/dbraw/zinc/27/53/78/240275378.db2.gz UOVFICJCPUHXPH-SECBINFHSA-N 1 1 286.784 3.186 20 5 CGBDMO COCC[C@H](C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546333 240320843 /nfs/dbraw/zinc/32/08/43/240320843.db2.gz IVKSXCMJNNHSQM-ZFWWWQNUSA-N 1 1 292.379 3.199 20 5 CGBDMO Cc1[nH+]ccn1CCCCNc1cccc(C)c1[N+](=O)[O-] ZINC000275508785 193062155 /nfs/dbraw/zinc/06/21/55/193062155.db2.gz UMXPXMYALKMCDI-UHFFFAOYSA-N 1 1 288.351 3.300 20 5 CGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000481396399 243190268 /nfs/dbraw/zinc/19/02/68/243190268.db2.gz FVQDMMSYBGVCCL-SWLSCSKDSA-N 1 1 278.352 3.094 20 5 CGBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000483128671 243261035 /nfs/dbraw/zinc/26/10/35/243261035.db2.gz IRDNBKKPLGXZHM-UHFFFAOYSA-N 1 1 262.353 3.259 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000034996427 368988199 /nfs/dbraw/zinc/98/81/99/368988199.db2.gz XIBPSWGWCTUWCK-CQSZACIVSA-N 1 1 284.315 3.208 20 5 CGBDMO C[N@@H+](CCCNc1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000037859954 369119070 /nfs/dbraw/zinc/11/90/70/369119070.db2.gz ZRHULNWFEOPTER-UHFFFAOYSA-N 1 1 292.383 3.056 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051686151 369451578 /nfs/dbraw/zinc/45/15/78/369451578.db2.gz ZSZFORORODYOGW-LLVKDONJSA-N 1 1 266.341 3.224 20 5 CGBDMO CCc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC000051725065 369453891 /nfs/dbraw/zinc/45/38/91/369453891.db2.gz NRYKDNQKXNILOJ-UHFFFAOYSA-N 1 1 260.293 3.040 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000344000659 217010301 /nfs/dbraw/zinc/01/03/01/217010301.db2.gz XOAQEXIFBSUFGI-CYBMUJFWSA-N 1 1 290.363 3.225 20 5 CGBDMO CCCCOCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153230838 371757472 /nfs/dbraw/zinc/75/74/72/371757472.db2.gz LMURNEXBUHFYTG-UHFFFAOYSA-N 1 1 292.379 3.376 20 5 CGBDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000290077901 371896647 /nfs/dbraw/zinc/89/66/47/371896647.db2.gz UUGIFZQNDFTGEW-UHFFFAOYSA-N 1 1 275.135 3.496 20 5 CGBDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000290077901 371896652 /nfs/dbraw/zinc/89/66/52/371896652.db2.gz UUGIFZQNDFTGEW-UHFFFAOYSA-N 1 1 275.135 3.496 20 5 CGBDMO CC[NH+]1CCC(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000159292387 372127552 /nfs/dbraw/zinc/12/75/52/372127552.db2.gz MCCGAJFIHNHAGM-ZDUSSCGKSA-N 1 1 291.395 3.038 20 5 CGBDMO Cc1ccoc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000293366571 372366516 /nfs/dbraw/zinc/36/65/16/372366516.db2.gz HRJYACSUASAYBV-LLVKDONJSA-N 1 1 260.293 3.347 20 5 CGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000171145977 372720909 /nfs/dbraw/zinc/72/09/09/372720909.db2.gz KOXZYWASZOWXED-UHFFFAOYSA-N 1 1 285.347 3.400 20 5 CGBDMO COc1ccc(C[N@@H+](C)C[C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000353448737 220087207 /nfs/dbraw/zinc/08/72/07/220087207.db2.gz ORXDEPQXNAFWPT-CYBMUJFWSA-N 1 1 290.363 3.392 20 5 CGBDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000171921048 372854129 /nfs/dbraw/zinc/85/41/29/372854129.db2.gz VCZNVWXPUNCPAQ-LBPRGKRZSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc([N+](=O)[O-])cc3)c2C[C@@H]1C ZINC000295724504 372889854 /nfs/dbraw/zinc/88/98/54/372889854.db2.gz HHAGJCMAHKHBSA-NEPJUHHUSA-N 1 1 285.347 3.210 20 5 CGBDMO CO[C@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295852376 372935289 /nfs/dbraw/zinc/93/52/89/372935289.db2.gz DQGXSESYTPLSAD-DOMZBBRYSA-N 1 1 292.379 3.403 20 5 CGBDMO CO[C@@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296154045 373038342 /nfs/dbraw/zinc/03/83/42/373038342.db2.gz UEFUVBQHKVDWAZ-IUODEOHRSA-N 1 1 292.379 3.403 20 5 CGBDMO CC[C@H](C)C[N@@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444642270 373219731 /nfs/dbraw/zinc/21/97/31/373219731.db2.gz SVEGTROFKDAAIY-NSHDSACASA-N 1 1 290.367 3.339 20 5 CGBDMO C[C@H](NCC[C@@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296751568 373235063 /nfs/dbraw/zinc/23/50/63/373235063.db2.gz PSCSOWQCUYQCFK-ZFWWWQNUSA-N 1 1 291.395 3.120 20 5 CGBDMO CCCC[N@@H+](C)CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000447069212 373398712 /nfs/dbraw/zinc/39/87/12/373398712.db2.gz OEUIHRDBEJSYGD-UHFFFAOYSA-N 1 1 265.357 3.047 20 5 CGBDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000176335649 373583472 /nfs/dbraw/zinc/58/34/72/373583472.db2.gz BNPQOZRSZSLGJM-LLVKDONJSA-N 1 1 298.770 3.107 20 5 CGBDMO CCC(CC)[N@@H+](CC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000289552303 197399344 /nfs/dbraw/zinc/39/93/44/197399344.db2.gz XFCCYLLWCZKZQS-HNNXBMFYSA-N 1 1 280.368 3.139 20 5 CGBDMO CC(C)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000179484491 373879426 /nfs/dbraw/zinc/87/94/26/373879426.db2.gz ZNMVBHKLEOXXFJ-FNORWQNLSA-N 1 1 260.337 3.481 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CCC[N@H+](C)C1 ZINC000302835422 373981061 /nfs/dbraw/zinc/98/10/61/373981061.db2.gz VHTOUQYLIZGQAH-NSHDSACASA-N 1 1 297.786 3.310 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000182593527 374296251 /nfs/dbraw/zinc/29/62/51/374296251.db2.gz WSKLZTHAWGCIMH-XQQFMLRXSA-N 1 1 278.352 3.073 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000182593527 374296258 /nfs/dbraw/zinc/29/62/58/374296258.db2.gz WSKLZTHAWGCIMH-XQQFMLRXSA-N 1 1 278.352 3.073 20 5 CGBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CCS1 ZINC000183355701 374405519 /nfs/dbraw/zinc/40/55/19/374405519.db2.gz JGROKSGCNKUNDZ-AWEZNQCLSA-N 1 1 280.393 3.231 20 5 CGBDMO CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000331267993 374517870 /nfs/dbraw/zinc/51/78/70/374517870.db2.gz KDMDNYNFYKLGKZ-MFKMUULPSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000331267993 374517874 /nfs/dbraw/zinc/51/78/74/374517874.db2.gz KDMDNYNFYKLGKZ-MFKMUULPSA-N 1 1 298.770 3.248 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3CCC[C@H]32)cs1 ZINC000335196529 375218972 /nfs/dbraw/zinc/21/89/72/375218972.db2.gz SBWVZNMEMUURPQ-GHMZBOCLSA-N 1 1 252.339 3.031 20 5 CGBDMO C[C@H](CNc1ccc(F)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000195666962 376116935 /nfs/dbraw/zinc/11/69/35/376116935.db2.gz DVIPWDFHXAVLCO-VXGBXAGGSA-N 1 1 295.358 3.266 20 5 CGBDMO C[N@@H+](CCNc1c(F)cc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000227889921 376416482 /nfs/dbraw/zinc/41/64/82/376416482.db2.gz WOUHRMJQCIMVDE-UHFFFAOYSA-N 1 1 299.321 3.159 20 5 CGBDMO CCc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])nc1 ZINC000339185552 376731630 /nfs/dbraw/zinc/73/16/30/376731630.db2.gz LZPRZYKUIIIJHY-UHFFFAOYSA-N 1 1 299.374 3.227 20 5 CGBDMO CCOC[C@@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245537764 376845637 /nfs/dbraw/zinc/84/56/37/376845637.db2.gz YQCDJVZXLPFDON-ZIAGYGMSSA-N 1 1 292.379 3.323 20 5 CGBDMO Cc1ccc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000245787155 376907657 /nfs/dbraw/zinc/90/76/57/376907657.db2.gz VKWQACGFJMQDRA-NEPJUHHUSA-N 1 1 280.393 3.229 20 5 CGBDMO COC[C@@H](C)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000562521773 377324308 /nfs/dbraw/zinc/32/43/08/377324308.db2.gz WBHAGVYGMLFXNF-ZFWWWQNUSA-N 1 1 292.379 3.057 20 5 CGBDMO C[C@@H](Nc1[nH+]cnc2[nH]ccc21)c1ccccc1[N+](=O)[O-] ZINC000341004366 377351767 /nfs/dbraw/zinc/35/17/67/377351767.db2.gz TWPQUZRHGAXGEJ-SECBINFHSA-N 1 1 283.291 3.039 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000341272937 377482613 /nfs/dbraw/zinc/48/26/13/377482613.db2.gz DUHKBHDPLRCNHI-MNOVXSKESA-N 1 1 296.342 3.220 20 5 CGBDMO CO[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C ZINC000251665929 377592368 /nfs/dbraw/zinc/59/23/68/377592368.db2.gz IHBYLZABFSPKMC-QMTHXVAHSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C ZINC000251665929 377592381 /nfs/dbraw/zinc/59/23/81/377592381.db2.gz IHBYLZABFSPKMC-QMTHXVAHSA-N 1 1 298.770 3.105 20 5 CGBDMO CC1(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCC1 ZINC000574507305 377672219 /nfs/dbraw/zinc/67/22/19/377672219.db2.gz UZWJRLYHMWZNQZ-UHFFFAOYSA-N 1 1 260.337 3.143 20 5 CGBDMO COC[C@H]1CCCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000342747082 377770614 /nfs/dbraw/zinc/77/06/14/377770614.db2.gz XLIWFQVFTUOKHN-KBPBESRZSA-N 1 1 292.379 3.404 20 5 CGBDMO C[C@H]1c2cccn2CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255917285 377787847 /nfs/dbraw/zinc/78/78/47/377787847.db2.gz DLDSMOUSSKRHJB-ZBKLQPJUSA-N 1 1 297.358 3.486 20 5 CGBDMO C[C@H]1c2cccn2CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255917285 377787852 /nfs/dbraw/zinc/78/78/52/377787852.db2.gz DLDSMOUSSKRHJB-ZBKLQPJUSA-N 1 1 297.358 3.486 20 5 CGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000578105971 378037807 /nfs/dbraw/zinc/03/78/07/378037807.db2.gz ZKBNCHUOQHNACM-GFCCVEGCSA-N 1 1 265.357 3.127 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000278671810 194094619 /nfs/dbraw/zinc/09/46/19/194094619.db2.gz IGDQGADTMFBBQR-LLVKDONJSA-N 1 1 288.269 3.369 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@@H](c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000374004068 379358459 /nfs/dbraw/zinc/35/84/59/379358459.db2.gz UQBGXJIBBCJJDM-CQSZACIVSA-N 1 1 286.331 3.486 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000347607955 218289606 /nfs/dbraw/zinc/28/96/06/218289606.db2.gz UEZNIZDCULVCEL-MNOVXSKESA-N 1 1 266.316 3.212 20 5 CGBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000266903292 190289504 /nfs/dbraw/zinc/28/95/04/190289504.db2.gz AFKSJVCHPYPRFS-NSHDSACASA-N 1 1 298.770 3.107 20 5 CGBDMO CO[C@]1(C)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000280229183 379648375 /nfs/dbraw/zinc/64/83/75/379648375.db2.gz AGXXFNPHBDCGJY-MRXNPFEDSA-N 1 1 292.379 3.294 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000267008193 190296526 /nfs/dbraw/zinc/29/65/26/190296526.db2.gz GMPAYJMUNMBJEK-UHFFFAOYSA-N 1 1 252.289 3.108 20 5 CGBDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000280163815 379626925 /nfs/dbraw/zinc/62/69/25/379626925.db2.gz FMEQERFMFJGQBW-OAHLLOKOSA-N 1 1 296.342 3.125 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000352545950 379853375 /nfs/dbraw/zinc/85/33/75/379853375.db2.gz NROQZSBHJZTZJI-KGLIPLIRSA-N 1 1 290.363 3.368 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000282538611 379940166 /nfs/dbraw/zinc/94/01/66/379940166.db2.gz VTBQHUHXQUUYAT-UHFFFAOYSA-N 1 1 276.258 3.022 20 5 CGBDMO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000353985874 380264663 /nfs/dbraw/zinc/26/46/63/380264663.db2.gz FNTPATXWSGMPGU-BBRMVZONSA-N 1 1 291.395 3.120 20 5 CGBDMO CCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000353985874 380264668 /nfs/dbraw/zinc/26/46/68/380264668.db2.gz FNTPATXWSGMPGU-BBRMVZONSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[C@@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)OC ZINC000419212632 380779145 /nfs/dbraw/zinc/77/91/45/380779145.db2.gz VCANJWAZTSPBSP-HNNXBMFYSA-N 1 1 280.368 3.230 20 5 CGBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000419373625 380818749 /nfs/dbraw/zinc/81/87/49/380818749.db2.gz OMRVRSURJGKQCD-OUAUKWLOSA-N 1 1 289.335 3.212 20 5 CGBDMO C[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000357120121 381036869 /nfs/dbraw/zinc/03/68/69/381036869.db2.gz UZYJMUUQFJBQAD-ZDUSSCGKSA-N 1 1 278.352 3.096 20 5 CGBDMO C[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000361346873 381709632 /nfs/dbraw/zinc/70/96/32/381709632.db2.gz REYVVXVZIKDNHH-OLZOCXBDSA-N 1 1 278.352 3.094 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000362315822 381940685 /nfs/dbraw/zinc/94/06/85/381940685.db2.gz IOKFHZGORGQTFL-MNOVXSKESA-N 1 1 296.342 3.363 20 5 CGBDMO C[C@H]1CC[C@H](C)[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000362435031 381989965 /nfs/dbraw/zinc/98/99/65/381989965.db2.gz BZIQRFZADBXFPB-STQMWFEESA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@@H]1CC[C@@H](C)[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000362439876 381990434 /nfs/dbraw/zinc/99/04/34/381990434.db2.gz PWTJKYMNGLDLLJ-CHWSQXEVSA-N 1 1 278.352 3.094 20 5 CGBDMO CC[N@@H+](C[C@@H](C)OC)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000361577633 285016681 /nfs/dbraw/zinc/01/66/81/285016681.db2.gz NFTQRVHSFZKKGV-OLZOCXBDSA-N 1 1 280.368 3.321 20 5 CGBDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000289382010 197320814 /nfs/dbraw/zinc/32/08/14/197320814.db2.gz BXLQVEXODOIIAC-UHFFFAOYSA-N 1 1 285.347 3.320 20 5 CGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000353819809 220348017 /nfs/dbraw/zinc/34/80/17/220348017.db2.gz UYBYWGIPTBBLTP-CABCVRRESA-N 1 1 292.379 3.230 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCc3occc3C2)cc1 ZINC000288832016 197175923 /nfs/dbraw/zinc/17/59/23/197175923.db2.gz NZDRPGNZYDALKH-UHFFFAOYSA-N 1 1 286.331 3.179 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C)C1 ZINC000505321396 392658629 /nfs/dbraw/zinc/65/86/29/392658629.db2.gz UIPWSEOSUJHLEE-GFCCVEGCSA-N 1 1 278.352 3.225 20 5 CGBDMO CC[C@H](C)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511104822 392828436 /nfs/dbraw/zinc/82/84/36/392828436.db2.gz GJJNEJYOYOXFMK-LBPRGKRZSA-N 1 1 250.342 3.115 20 5 CGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC000352617871 393204253 /nfs/dbraw/zinc/20/42/53/393204253.db2.gz IXJQRTWEUBLMEI-UHFFFAOYSA-N 1 1 266.316 3.497 20 5 CGBDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000475156374 393378831 /nfs/dbraw/zinc/37/88/31/393378831.db2.gz WOEDGADRASHLRR-JHJVBQTASA-N 1 1 262.353 3.461 20 5 CGBDMO C[C@H]1C[C@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000488357942 393496319 /nfs/dbraw/zinc/49/63/19/393496319.db2.gz QMLFCWDNTDWTCY-AAEUAGOBSA-N 1 1 260.337 3.215 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000430224861 393543697 /nfs/dbraw/zinc/54/36/97/393543697.db2.gz WROSSDZHBSXCEY-HNNXBMFYSA-N 1 1 290.363 3.368 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(C)(C)C ZINC000430200153 393538279 /nfs/dbraw/zinc/53/82/79/393538279.db2.gz FZNRLJGHBUNQLJ-UHFFFAOYSA-N 1 1 266.341 3.081 20 5 CGBDMO CC1=C[C@H](C)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430283565 393558239 /nfs/dbraw/zinc/55/82/39/393558239.db2.gz ZOMMGIHNTXUXCF-JTQLQIEISA-N 1 1 264.300 3.132 20 5 CGBDMO CC1=C[C@H](C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430283565 393558246 /nfs/dbraw/zinc/55/82/46/393558246.db2.gz ZOMMGIHNTXUXCF-JTQLQIEISA-N 1 1 264.300 3.132 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]([C@@H](C)C1CC1)C1CC1 ZINC000075683423 287027229 /nfs/dbraw/zinc/02/72/29/287027229.db2.gz REMJORJYBLAROR-NSHDSACASA-N 1 1 290.363 3.366 20 5 CGBDMO CCC(CC)[N@@H+](CCOC)Cc1csc([N+](=O)[O-])c1 ZINC000077377739 165121395 /nfs/dbraw/zinc/12/13/95/165121395.db2.gz LEMPHHJVYCXFLS-UHFFFAOYSA-N 1 1 286.397 3.293 20 5 CGBDMO CC(C)C[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000037177166 270028824 /nfs/dbraw/zinc/02/88/24/270028824.db2.gz QBQQUHROVUHXNY-XJKSGUPXSA-N 1 1 293.411 3.222 20 5 CGBDMO C[C@@H]1CCC[C@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000520845192 270099288 /nfs/dbraw/zinc/09/92/88/270099288.db2.gz OWNATOUDWAQETF-HIFRSBDPSA-N 1 1 292.379 3.484 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531958984 270211611 /nfs/dbraw/zinc/21/16/11/270211611.db2.gz JZGGQSOFKKJUEB-ZIAGYGMSSA-N 1 1 293.411 3.284 20 5 CGBDMO CC[C@@H](C)N(C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531958984 270211612 /nfs/dbraw/zinc/21/16/12/270211612.db2.gz JZGGQSOFKKJUEB-ZIAGYGMSSA-N 1 1 293.411 3.284 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCCOC1 ZINC000266764141 274278024 /nfs/dbraw/zinc/27/80/24/274278024.db2.gz QTOSDHCNTSZZIH-STQMWFEESA-N 1 1 278.352 3.014 20 5 CGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000399562049 288052473 /nfs/dbraw/zinc/05/24/73/288052473.db2.gz LWNDTSBUTZOTRE-CMPLNLGQSA-N 1 1 266.316 3.354 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000426461826 280225590 /nfs/dbraw/zinc/22/55/90/280225590.db2.gz POGZUNDDBWBXIW-DOMZBBRYSA-N 1 1 260.337 3.278 20 5 CGBDMO CCc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000532234630 288356554 /nfs/dbraw/zinc/35/65/54/288356554.db2.gz FQVUPPNOOCIARW-NSHDSACASA-N 1 1 289.335 3.304 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CC1CC1)C(C)C ZINC000532657279 288368366 /nfs/dbraw/zinc/36/83/66/288368366.db2.gz ORWBVFNAJJEPSG-UHFFFAOYSA-N 1 1 278.352 3.224 20 5 CGBDMO COC(C)(C)C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000533478795 288382730 /nfs/dbraw/zinc/38/27/30/288382730.db2.gz WNWNEASOOBKXTE-NSHDSACASA-N 1 1 266.341 3.013 20 5 CGBDMO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000543592617 288811305 /nfs/dbraw/zinc/81/13/05/288811305.db2.gz VMKIHVCXIZOWPE-FZMZJTMJSA-N 1 1 288.351 3.130 20 5 CGBDMO CCCC[C@H](C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000569629758 322252597 /nfs/dbraw/zinc/25/25/97/322252597.db2.gz ILWKCJMWAJVGFV-NSHDSACASA-N 1 1 290.367 3.482 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000571877770 322310170 /nfs/dbraw/zinc/31/01/70/322310170.db2.gz HLZBKJLUSNMLIX-MRXNPFEDSA-N 1 1 297.358 3.288 20 5 CGBDMO CC(C)(C)[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000583088401 329310194 /nfs/dbraw/zinc/31/01/94/329310194.db2.gz FUQQPHOLBMXAAK-CYBMUJFWSA-N 1 1 292.379 3.342 20 5 CGBDMO CCOC[C@@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000081519176 520134810 /nfs/dbraw/zinc/13/48/10/520134810.db2.gz AOIDFZKLCYGJNE-QWHCGFSZSA-N 1 1 278.352 3.014 20 5 CGBDMO CC[C@@H](C)C[N@@H+](CC)CCOc1ccccc1[N+](=O)[O-] ZINC000482891692 535509932 /nfs/dbraw/zinc/50/99/32/535509932.db2.gz ORHVXPINLWNWBT-CYBMUJFWSA-N 1 1 280.368 3.342 20 5 CGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000481392159 536181131 /nfs/dbraw/zinc/18/11/31/536181131.db2.gz RZBKULRNWUVLIW-WFASDCNBSA-N 1 1 278.352 3.094 20 5 CGBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000740870617 572463171 /nfs/dbraw/zinc/46/31/71/572463171.db2.gz GPNOPRPHYPHMLZ-VXGBXAGGSA-N 1 1 295.358 3.043 20 5 CGBDMO CC1(C)CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000732984330 572498506 /nfs/dbraw/zinc/49/85/06/572498506.db2.gz LEYUBWAMHOLLBX-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO CC1(C)CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000732984330 572498512 /nfs/dbraw/zinc/49/85/12/572498512.db2.gz LEYUBWAMHOLLBX-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO CCCCC(N)=[NH+]OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734834486 572689119 /nfs/dbraw/zinc/68/91/19/572689119.db2.gz RPYQSIJQEFNJGP-UHFFFAOYSA-N 1 1 285.731 3.437 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000236248971 618850826 /nfs/dbraw/zinc/85/08/26/618850826.db2.gz XEYSWNNGVSUYFU-MRVPVSSYSA-N 1 1 299.733 3.036 20 5 CGBDMO COc1cc([C@@H](C)[NH2+]Cc2ccoc2C)cc([N+](=O)[O-])c1 ZINC000903080354 621560689 /nfs/dbraw/zinc/56/06/89/621560689.db2.gz GJXOAWXBBIFXRB-SNVBAGLBSA-N 1 1 290.319 3.356 20 5 CGBDMO C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1ccccc1[N+](=O)[O-] ZINC000921968608 625947952 /nfs/dbraw/zinc/94/79/52/625947952.db2.gz ZFAWBKLJQUEGTI-GFCCVEGCSA-N 1 1 298.342 3.381 20 5 CGBDMO CC(C)n1ccnc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000922542369 626012082 /nfs/dbraw/zinc/01/20/82/626012082.db2.gz VJWCLWXVZYNKDK-GFCCVEGCSA-N 1 1 288.351 3.223 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000766992328 627374638 /nfs/dbraw/zinc/37/46/38/627374638.db2.gz UBFIVCGQCIGSIE-GHMZBOCLSA-N 1 1 266.316 3.212 20 5 CGBDMO CCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000774836166 628037049 /nfs/dbraw/zinc/03/70/49/628037049.db2.gz QBWIKAUKOZNPRM-UHFFFAOYSA-N 1 1 293.323 3.268 20 5 CGBDMO CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774847700 628038369 /nfs/dbraw/zinc/03/83/69/628038369.db2.gz XAORHEAZBXVTAG-UHFFFAOYSA-N 1 1 293.323 3.125 20 5 CGBDMO CC(C)CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776578599 628220387 /nfs/dbraw/zinc/22/03/87/628220387.db2.gz HHGVCBMPROJOIK-INIZCTEOSA-N 1 1 292.379 3.139 20 5 CGBDMO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n(C)n1 ZINC000793549782 629481618 /nfs/dbraw/zinc/48/16/18/629481618.db2.gz ZQUCYQHVYBUGFE-NEPJUHHUSA-N 1 1 288.351 3.049 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000122587943 633443864 /nfs/dbraw/zinc/44/38/64/633443864.db2.gz CYHXLXQZYSZQDO-JTQLQIEISA-N 1 1 295.770 3.144 20 5 CGBDMO CC(C)[N@H+]1CC[C@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000122593428 633445136 /nfs/dbraw/zinc/44/51/36/633445136.db2.gz ZCBGOPFPLKDTIE-LLVKDONJSA-N 1 1 297.786 3.390 20 5 CGBDMO NC(=[NH+]OCc1ccc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000871764400 633854958 /nfs/dbraw/zinc/85/49/58/633854958.db2.gz IUWFCMWCNVICFT-UHFFFAOYSA-N 1 1 283.715 3.047 20 5 CGBDMO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000871935905 633920059 /nfs/dbraw/zinc/92/00/59/633920059.db2.gz CZMBTXKAOBZBOX-PWSUYJOCSA-N 1 1 286.335 3.105 20 5 CGBDMO CC(C)=CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872066217 633988666 /nfs/dbraw/zinc/98/86/66/633988666.db2.gz KQMLQLLEYTWKPK-JTQLQIEISA-N 1 1 252.289 3.351 20 5 CGBDMO CCC1C[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000835075397 634345529 /nfs/dbraw/zinc/34/55/29/634345529.db2.gz SKOSNYBKUPCYGC-UHFFFAOYSA-N 1 1 254.717 3.090 20 5 CGBDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886043887 637384212 /nfs/dbraw/zinc/38/42/12/637384212.db2.gz LYKUCZZVUYGZTC-JSGCOSHPSA-N 1 1 277.368 3.390 20 5 CGBDMO CC(C)[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000886062458 637396012 /nfs/dbraw/zinc/39/60/12/637396012.db2.gz PTPJPVVGCXQHLH-UHFFFAOYSA-N 1 1 263.341 3.143 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000886215885 637461803 /nfs/dbraw/zinc/46/18/03/637461803.db2.gz SLPINFJVTOSAIN-OAHLLOKOSA-N 1 1 297.358 3.369 20 5 CGBDMO CC(C)([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1F ZINC000886215647 637462118 /nfs/dbraw/zinc/46/21/18/637462118.db2.gz OPYQGVLHDUMCFY-UHFFFAOYSA-N 1 1 289.310 3.154 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CCc2ccccc21 ZINC000886266979 637473638 /nfs/dbraw/zinc/47/36/38/637473638.db2.gz CIQCEWHEVHTXOJ-ZDUSSCGKSA-N 1 1 297.358 3.152 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000886289423 637487512 /nfs/dbraw/zinc/48/75/12/637487512.db2.gz VICQWYKZZUFGNV-JSGCOSHPSA-N 1 1 275.352 3.144 20 5 CGBDMO [NH3+]CCC[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000925597347 638539597 /nfs/dbraw/zinc/53/95/97/638539597.db2.gz YMDVTNQKMGWZCE-MRXNPFEDSA-N 1 1 299.374 3.165 20 5 CGBDMO C[C@H](Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C(C)(C)C ZINC001157878131 805891857 /nfs/dbraw/zinc/89/18/57/805891857.db2.gz OKBSCFQUSSCXCW-AEZGRPFRSA-N 1 1 292.383 3.369 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H](F)C1 ZINC001254553355 806449717 /nfs/dbraw/zinc/44/97/17/806449717.db2.gz VIIGVJLNHPGVCP-TZMCWYRMSA-N 1 1 280.343 3.350 20 5 CGBDMO CO[C@H]1CCC[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254557840 806449776 /nfs/dbraw/zinc/44/97/76/806449776.db2.gz CKAPWDMMXORJHY-HIFRSBDPSA-N 1 1 292.379 3.027 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@H]3CCC[C@H]31)C2 ZINC001254604005 806460593 /nfs/dbraw/zinc/46/05/93/806460593.db2.gz SAPNOXLRMDBGSQ-CSMYWGQOSA-N 1 1 286.375 3.327 20 5 CGBDMO CC(C)C[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037108515 798859055 /nfs/dbraw/zinc/85/90/55/798859055.db2.gz WMKAOXMIUVDGKI-UHFFFAOYSA-N 1 1 256.733 3.336 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](C(F)F)C2)ccc1Cl ZINC000707169244 799974894 /nfs/dbraw/zinc/97/48/94/799974894.db2.gz UXAHBCXWQSUFJI-SECBINFHSA-N 1 1 290.697 3.335 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](C(F)F)C2)ccc1Cl ZINC000707169244 799974896 /nfs/dbraw/zinc/97/48/96/799974896.db2.gz UXAHBCXWQSUFJI-SECBINFHSA-N 1 1 290.697 3.335 20 5 CGBDMO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)CC[N@H+]1C ZINC000719597924 800244638 /nfs/dbraw/zinc/24/46/38/800244638.db2.gz GBLVTHHFBLTRDO-KCJUWKMLSA-N 1 1 285.294 3.037 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001119375991 802656432 /nfs/dbraw/zinc/65/64/32/802656432.db2.gz VSXJFMIYEBHROY-QWHCGFSZSA-N 1 1 275.352 3.002 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2c2ccccc2)C1 ZINC001169025442 807553962 /nfs/dbraw/zinc/55/39/62/807553962.db2.gz IXTMVHHOAMPIBJ-VNQPRFMTSA-N 1 1 274.364 3.269 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]3CCCC[C@@H]32)C1 ZINC001169037728 807555570 /nfs/dbraw/zinc/55/55/70/807555570.db2.gz TWSHPMMZJYIVQW-KBXIAJHMSA-N 1 1 266.385 3.086 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001169035851 807555828 /nfs/dbraw/zinc/55/58/28/807555828.db2.gz DIXKBVLSHHDXGY-GDBMZVCRSA-N 1 1 274.364 3.096 20 5 CGBDMO CC[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036875 807555864 /nfs/dbraw/zinc/55/58/64/807555864.db2.gz HSWMJVDSRJYGMV-YSVLISHTSA-N 1 1 288.391 3.441 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+](Cc2ccccc2)C2CCC2)C1 ZINC001169040926 807557384 /nfs/dbraw/zinc/55/73/84/807557384.db2.gz ADORUNPJPWWAHJ-DOTOQJQBSA-N 1 1 288.391 3.487 20 5 CGBDMO C[N@@H+](C/C=C/c1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038635 807557489 /nfs/dbraw/zinc/55/74/89/807557489.db2.gz JPYAJEPCRSWVNC-RTWZZBQXSA-N 1 1 274.364 3.077 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCSc3ccccc3C2)C1 ZINC001169046361 807558342 /nfs/dbraw/zinc/55/83/42/807558342.db2.gz KZXCAUPMLHXKAP-TZMCWYRMSA-N 1 1 292.404 3.040 20 5 CGBDMO CC[C@@H]1CC[N@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170355545 807827491 /nfs/dbraw/zinc/82/74/91/807827491.db2.gz JKGSYBMNVSGOAK-QWHCGFSZSA-N 1 1 292.379 3.266 20 5 CGBDMO C[C@@H]1C[C@@H](F)C[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904776 808476197 /nfs/dbraw/zinc/47/61/97/808476197.db2.gz AMEJTSCBLCMJOX-DFBGVHRSSA-N 1 1 292.354 3.275 20 5 CGBDMO C[N@@H+](CC1CC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909643 808476365 /nfs/dbraw/zinc/47/63/65/808476365.db2.gz UMYDYFFSZVPMES-HNNXBMFYSA-N 1 1 274.364 3.184 20 5 CGBDMO CC[N@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C[C@H]1CCCO1 ZINC001180158639 809980228 /nfs/dbraw/zinc/98/02/28/809980228.db2.gz ZAMGUJJBTLYGEJ-CQSZACIVSA-N 1 1 292.379 3.213 20 5 CGBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)CCC1(C)C ZINC001187183324 810390149 /nfs/dbraw/zinc/39/01/49/810390149.db2.gz ZEJWLQXSKQGQAW-UHFFFAOYSA-N 1 1 297.786 3.169 20 5 CGBDMO CC[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1C ZINC001193607428 810917995 /nfs/dbraw/zinc/91/79/95/810917995.db2.gz UCQRQZQNOCFLQL-MWLCHTKSSA-N 1 1 254.355 3.277 20 5 CGBDMO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001195196384 811224372 /nfs/dbraw/zinc/22/43/72/811224372.db2.gz SBDANWWEMBVUBD-SECBINFHSA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001195196384 811224377 /nfs/dbraw/zinc/22/43/77/811224377.db2.gz SBDANWWEMBVUBD-SECBINFHSA-N 1 1 284.306 3.493 20 5 CGBDMO CCc1ccc(NCc2cccc([N+](=O)[O-])c2C)[nH+]c1 ZINC001203464805 812370481 /nfs/dbraw/zinc/37/04/81/812370481.db2.gz RORSFVWKCFYXFK-UHFFFAOYSA-N 1 1 271.320 3.473 20 5 CGBDMO O=[N+]([O-])c1ccc(Nc2ccc3c[nH+]ccc3c2)cn1 ZINC001203571087 812395511 /nfs/dbraw/zinc/39/55/11/812395511.db2.gz GKHJHWJPEGOZTF-UHFFFAOYSA-N 1 1 266.260 3.282 20 5 CGBDMO COc1cc[nH+]c(Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC001211285965 814869906 /nfs/dbraw/zinc/86/99/06/814869906.db2.gz MJQGYKMRPAZXFA-UHFFFAOYSA-N 1 1 259.265 3.050 20 5 CGBDMO C[N@H+]1CCC[C@H](Oc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001225709856 817152628 /nfs/dbraw/zinc/15/26/28/817152628.db2.gz DUTWNLPQWVBEAL-NSHDSACASA-N 1 1 284.743 3.111 20 5 CGBDMO C[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001226762429 817456457 /nfs/dbraw/zinc/45/64/57/817456457.db2.gz SOJHJBWBSMUDFB-NSHDSACASA-N 1 1 284.743 3.111 20 5 CGBDMO CC[N@H+]1CCC[C@H](Oc2c(C)ccc([N+](=O)[O-])c2Cl)C1 ZINC001226989170 817527632 /nfs/dbraw/zinc/52/76/32/817527632.db2.gz LEEMMNZGNQQDBO-NSHDSACASA-N 1 1 298.770 3.420 20 5 CGBDMO CC[N@H+]1CC[C@H](Oc2c3ccccc3ccc2[N+](=O)[O-])C1 ZINC001227213877 817594340 /nfs/dbraw/zinc/59/43/40/817594340.db2.gz CXYFDVXLACYKQK-ZDUSSCGKSA-N 1 1 286.331 3.221 20 5 CGBDMO CC[N@H+]1CCC[C@@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001228258489 817853624 /nfs/dbraw/zinc/85/36/24/817853624.db2.gz ZUFXOLYMVKIHBI-GFCCVEGCSA-N 1 1 284.743 3.111 20 5 CGBDMO C[N@H+]1CC[C@@H](Oc2ccc(-c3ccccc3[N+](=O)[O-])cc2)C1 ZINC001231252693 818063672 /nfs/dbraw/zinc/06/36/72/818063672.db2.gz NZKUABMNQYSISR-OAHLLOKOSA-N 1 1 298.342 3.345 20 5 CGBDMO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CC[N@H+](C(C)C)C1 ZINC001229882315 932497677 /nfs/dbraw/zinc/49/76/77/932497677.db2.gz LPZBXFRDFSXCHL-ZDUSSCGKSA-N 1 1 278.352 3.073 20 5 CGBDMO C[C@H](N[C@H]1CCCC[C@H]1[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001322643611 934326127 /nfs/dbraw/zinc/32/61/27/934326127.db2.gz SHZUMUFELFFLGH-VBNZEHGJSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@@]1(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCCS1 ZINC001329148144 935190126 /nfs/dbraw/zinc/19/01/26/935190126.db2.gz XSARIFCIQPLKAD-HNNXBMFYSA-N 1 1 292.404 3.239 20 5 CGBDMO Cc1cnc(CC[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c(C)c1 ZINC001329270053 935200270 /nfs/dbraw/zinc/20/02/70/935200270.db2.gz QVOSSRGGEMMQEZ-UHFFFAOYSA-N 1 1 297.358 3.165 20 5 CGBDMO Cc1cnc(CC[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c(C)c1 ZINC001329270053 935200275 /nfs/dbraw/zinc/20/02/75/935200275.db2.gz QVOSSRGGEMMQEZ-UHFFFAOYSA-N 1 1 297.358 3.165 20 5 CGBDMO Cc1c([C@H](C)NCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000128246607 187359340 /nfs/dbraw/zinc/35/93/40/187359340.db2.gz LXVVGYCSOKLPKK-AWEZNQCLSA-N 1 1 291.395 3.040 20 5 CGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000064021858 345256620 /nfs/dbraw/zinc/25/66/20/345256620.db2.gz HGGLAVQFTCBKFM-UHFFFAOYSA-N 1 1 278.352 3.096 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C(C1CC1)C1CC1 ZINC000065243469 345270519 /nfs/dbraw/zinc/27/05/19/345270519.db2.gz KKZUTJHQYMUXEI-UHFFFAOYSA-N 1 1 290.363 3.224 20 5 CGBDMO O=[N+]([O-])c1ccccc1NCC[NH+]1Cc2ccccc2C1 ZINC000068321599 345349960 /nfs/dbraw/zinc/34/99/60/345349960.db2.gz MCJMCOANXNIKSY-UHFFFAOYSA-N 1 1 283.331 3.023 20 5 CGBDMO CC(C)[N@H+]1CCC[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000069064182 345371766 /nfs/dbraw/zinc/37/17/66/345371766.db2.gz LAZOILOXDZFPPB-ZDUSSCGKSA-N 1 1 277.368 3.127 20 5 CGBDMO CC(C)[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000069064078 345371910 /nfs/dbraw/zinc/37/19/10/345371910.db2.gz QKBABPAOQGVACV-LBPRGKRZSA-N 1 1 295.358 3.266 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc(O)c1 ZINC000080921033 345689468 /nfs/dbraw/zinc/68/94/68/345689468.db2.gz XXLVIPSQPBFRFF-GFCCVEGCSA-N 1 1 286.331 3.493 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccc(O)c1 ZINC000080921033 345689471 /nfs/dbraw/zinc/68/94/71/345689471.db2.gz XXLVIPSQPBFRFF-GFCCVEGCSA-N 1 1 286.331 3.493 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H]1CCCCO1)C1CC1 ZINC000135228213 346086909 /nfs/dbraw/zinc/08/69/09/346086909.db2.gz XGTDACLNHBDURA-HNNXBMFYSA-N 1 1 290.363 3.128 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H]1CCCCO1)C1CC1 ZINC000135228213 346086911 /nfs/dbraw/zinc/08/69/11/346086911.db2.gz XGTDACLNHBDURA-HNNXBMFYSA-N 1 1 290.363 3.128 20 5 CGBDMO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593674095 347102846 /nfs/dbraw/zinc/10/28/46/347102846.db2.gz NODKKGUXFMUTRD-PXTSUWAFSA-N 1 1 290.363 3.109 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594597643 347199313 /nfs/dbraw/zinc/19/93/13/347199313.db2.gz DHSPMVYRWPMYGV-GJZGRUSLSA-N 1 1 293.342 3.163 20 5 CGBDMO Cc1noc(C[N@H+](C)C2CCCCCC2)c1[N+](=O)[O-] ZINC000595288531 347286307 /nfs/dbraw/zinc/28/63/07/347286307.db2.gz NGPHNADIDCWCQX-UHFFFAOYSA-N 1 1 267.329 3.046 20 5 CGBDMO CC(C)[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCS1 ZINC000595329816 347293380 /nfs/dbraw/zinc/29/33/80/347293380.db2.gz CHENWXVDNUVVNV-CQSZACIVSA-N 1 1 298.383 3.307 20 5 CGBDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCS1 ZINC000595329816 347293382 /nfs/dbraw/zinc/29/33/82/347293382.db2.gz CHENWXVDNUVVNV-CQSZACIVSA-N 1 1 298.383 3.307 20 5 CGBDMO Cc1noc(C[N@H+](CC(C)C)CC(C)(C)C)c1[N+](=O)[O-] ZINC000595346690 347294506 /nfs/dbraw/zinc/29/45/06/347294506.db2.gz ICORBXHULKXPPK-UHFFFAOYSA-N 1 1 283.372 3.395 20 5 CGBDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595424322 347301620 /nfs/dbraw/zinc/30/16/20/347301620.db2.gz WMOAXFXJICAVLT-LBPRGKRZSA-N 1 1 286.372 3.307 20 5 CGBDMO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595426055 347301801 /nfs/dbraw/zinc/30/18/01/347301801.db2.gz OMUQNROAJQKMGV-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595464095 347307416 /nfs/dbraw/zinc/30/74/16/347307416.db2.gz GPFAJVVAJXBOSD-OAHLLOKOSA-N 1 1 296.342 3.125 20 5 CGBDMO Cc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])s1 ZINC000596083934 347381158 /nfs/dbraw/zinc/38/11/58/347381158.db2.gz ZBWIPYQIIKIIGX-WDEREUQCSA-N 1 1 281.381 3.003 20 5 CGBDMO Cc1cc(N2CCC[N@H+](C(C)(C)C)CC2)c([N+](=O)[O-])s1 ZINC000596097490 347383311 /nfs/dbraw/zinc/38/33/11/347383311.db2.gz YBFBUDUETUBNLC-UHFFFAOYSA-N 1 1 297.424 3.275 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3scnc32)cc1 ZINC000599036444 347708713 /nfs/dbraw/zinc/70/87/13/347708713.db2.gz RGXWXGXRKFKHQU-GFCCVEGCSA-N 1 1 289.360 3.219 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCC3(CC3)CC2)cs1 ZINC000599672484 347763009 /nfs/dbraw/zinc/76/30/09/347763009.db2.gz HPNIQVDLXWNJKT-UHFFFAOYSA-N 1 1 266.366 3.422 20 5 CGBDMO COc1cc(C[N@H+]2C[C@@H]3CCCC[C@@]32C)ccc1[N+](=O)[O-] ZINC000599669725 347763170 /nfs/dbraw/zinc/76/31/70/347763170.db2.gz FDEIOOIJXYMPDR-BBRMVZONSA-N 1 1 290.363 3.368 20 5 CGBDMO Cc1ncc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)o1 ZINC000600112738 347781058 /nfs/dbraw/zinc/78/10/58/347781058.db2.gz SHEMHEUDCCJGQH-UHFFFAOYSA-N 1 1 289.335 3.302 20 5 CGBDMO Cc1ncc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)o1 ZINC000600112738 347781061 /nfs/dbraw/zinc/78/10/61/347781061.db2.gz SHEMHEUDCCJGQH-UHFFFAOYSA-N 1 1 289.335 3.302 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1Cn1cc[nH+]c1C1CC1 ZINC000600611140 347814045 /nfs/dbraw/zinc/81/40/45/347814045.db2.gz MXEQDAUMQHAKJT-UHFFFAOYSA-N 1 1 277.711 3.370 20 5 CGBDMO Cc1ccc(Cn2c[nH+]c3c2CCCC3)cc1[N+](=O)[O-] ZINC000600179115 347789813 /nfs/dbraw/zinc/78/98/13/347789813.db2.gz INTBRLFAEAIPJY-UHFFFAOYSA-N 1 1 271.320 3.027 20 5 CGBDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602777610 348027630 /nfs/dbraw/zinc/02/76/30/348027630.db2.gz HLVGSNWSYQCOCN-JSGCOSHPSA-N 1 1 294.399 3.000 20 5 CGBDMO Cc1n[nH]cc1C[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000602945141 348045877 /nfs/dbraw/zinc/04/58/77/348045877.db2.gz XNLSTXNTYJREPP-GFCCVEGCSA-N 1 1 288.351 3.128 20 5 CGBDMO Cc1n[nH]cc1C[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000602945141 348045881 /nfs/dbraw/zinc/04/58/81/348045881.db2.gz XNLSTXNTYJREPP-GFCCVEGCSA-N 1 1 288.351 3.128 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCOC(C)(C)C1 ZINC000610391300 348380592 /nfs/dbraw/zinc/38/05/92/348380592.db2.gz PPOSTANJMKRCDY-LBPRGKRZSA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000611498480 348456175 /nfs/dbraw/zinc/45/61/75/348456175.db2.gz FEWWQDUDWPGZPH-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](CCO)C1 ZINC000611515994 348458229 /nfs/dbraw/zinc/45/82/29/348458229.db2.gz YMIRYBWVSFDBIQ-KGLIPLIRSA-N 1 1 292.379 3.059 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCOC1 ZINC000611774783 348475724 /nfs/dbraw/zinc/47/57/24/348475724.db2.gz XFZFIEWKPPTUAP-NSHDSACASA-N 1 1 298.770 3.107 20 5 CGBDMO COC1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000273431100 192147593 /nfs/dbraw/zinc/14/75/93/192147593.db2.gz LCILGTQFGRWZPC-UHFFFAOYSA-N 1 1 292.379 3.293 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000612582568 348529788 /nfs/dbraw/zinc/52/97/88/348529788.db2.gz IHMVDCYJTVHIEZ-QMTHXVAHSA-N 1 1 266.316 3.083 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000612582568 348529790 /nfs/dbraw/zinc/52/97/90/348529790.db2.gz IHMVDCYJTVHIEZ-QMTHXVAHSA-N 1 1 266.316 3.083 20 5 CGBDMO CC1(C)CCC[N@@H+](CCNc2ccc([N+](=O)[O-])s2)C1 ZINC000618175363 349057035 /nfs/dbraw/zinc/05/70/35/349057035.db2.gz POOZALKOLNDUGV-UHFFFAOYSA-N 1 1 283.397 3.190 20 5 CGBDMO Cn1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000154258754 188131819 /nfs/dbraw/zinc/13/18/19/188131819.db2.gz VWKCNQQSGZFQPL-UHFFFAOYSA-N 1 1 285.347 3.098 20 5 CGBDMO CCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000104679422 138350097 /nfs/dbraw/zinc/35/00/97/138350097.db2.gz PWXCVHUHVGWOTJ-UHFFFAOYSA-N 1 1 266.341 3.224 20 5 CGBDMO CCC(C)(C)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000512282628 535355127 /nfs/dbraw/zinc/35/51/27/535355127.db2.gz MNFUYVGCIQWJTL-UHFFFAOYSA-N 1 1 266.341 3.094 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+][C@H](CN)C2CCCC2)cc1[N+](=O)[O-] ZINC000423501477 236088687 /nfs/dbraw/zinc/08/86/87/236088687.db2.gz DQDPJWBYDUZQKF-IUODEOHRSA-N 1 1 291.395 3.071 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]3CCC[C@@H]32)cc1 ZINC000426464065 236296888 /nfs/dbraw/zinc/29/68/88/236296888.db2.gz XRQSAFDGTWTEEQ-HIFRSBDPSA-N 1 1 260.337 3.012 20 5 CGBDMO CCOC1(C)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000298219832 200364237 /nfs/dbraw/zinc/36/42/37/200364237.db2.gz FUQKPLWPUWACLD-UHFFFAOYSA-N 1 1 284.381 3.047 20 5 CGBDMO C[C@]12CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000298210480 200361425 /nfs/dbraw/zinc/36/14/25/200361425.db2.gz DLZLNCJWUWVHRQ-OLZOCXBDSA-N 1 1 282.290 3.072 20 5 CGBDMO C[C@H]1CCCC[N@H+]1CCCCNc1ncccc1[N+](=O)[O-] ZINC000298682304 200502299 /nfs/dbraw/zinc/50/22/99/200502299.db2.gz AHXMZAVEWLEJJW-ZDUSSCGKSA-N 1 1 292.383 3.056 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCCC[C@@H]1CCO ZINC000342819022 216555385 /nfs/dbraw/zinc/55/53/85/216555385.db2.gz WDJPIORNGWHZSI-OAHLLOKOSA-N 1 1 292.379 3.030 20 5 CGBDMO COC[C@]1(C)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000451203131 240249382 /nfs/dbraw/zinc/24/93/82/240249382.db2.gz RDZIDVMXUBBTMH-CQSZACIVSA-N 1 1 298.770 3.107 20 5 CGBDMO COC[C@]1(C)CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000451203131 240249387 /nfs/dbraw/zinc/24/93/87/240249387.db2.gz RDZIDVMXUBBTMH-CQSZACIVSA-N 1 1 298.770 3.107 20 5 CGBDMO C[C@H]1CCCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000481591382 243199938 /nfs/dbraw/zinc/19/99/38/243199938.db2.gz HGWUYQZVGXTCEK-ZDUSSCGKSA-N 1 1 278.352 3.096 20 5 CGBDMO C[C@H](C[NH+]1CCCCC1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037153283 369069370 /nfs/dbraw/zinc/06/93/70/369069370.db2.gz JUEGLXRTROWGGY-ZIAGYGMSSA-N 1 1 291.395 3.120 20 5 CGBDMO CCOc1cc(C[N@@H+](C)C[C@H](C)CC)ccc1[N+](=O)[O-] ZINC000492721070 244013937 /nfs/dbraw/zinc/01/39/37/244013937.db2.gz JQCOKEJXCBBIPG-GFCCVEGCSA-N 1 1 280.368 3.471 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H]1CCSC1)C1CC1 ZINC000495068944 244353188 /nfs/dbraw/zinc/35/31/88/244353188.db2.gz RHPIVEPIOHYMGU-GFCCVEGCSA-N 1 1 292.404 3.312 20 5 CGBDMO Cc1occc1C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000055052846 369509457 /nfs/dbraw/zinc/50/94/57/369509457.db2.gz HDDBASYITNFQRU-UHFFFAOYSA-N 1 1 260.293 3.128 20 5 CGBDMO Cc1occc1C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000055052846 369509460 /nfs/dbraw/zinc/50/94/60/369509460.db2.gz HDDBASYITNFQRU-UHFFFAOYSA-N 1 1 260.293 3.128 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCc1ccccn1 ZINC000072835956 369841332 /nfs/dbraw/zinc/84/13/32/369841332.db2.gz DRPHOTSQLQARFN-ZDUSSCGKSA-N 1 1 285.347 3.225 20 5 CGBDMO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000080267054 369985578 /nfs/dbraw/zinc/98/55/78/369985578.db2.gz KOKRKSDMBCRNMI-VHSXEESVSA-N 1 1 277.349 3.463 20 5 CGBDMO Cc1cccnc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000093256572 370113488 /nfs/dbraw/zinc/11/34/88/370113488.db2.gz OWIKWFPLAAAXBM-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1cccnc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000093256572 370113491 /nfs/dbraw/zinc/11/34/91/370113491.db2.gz OWIKWFPLAAAXBM-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO C[C@@H]([NH2+][C@@H](CN)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423266058 296153249 /nfs/dbraw/zinc/15/32/49/296153249.db2.gz RSRPNZBHMRCHRD-WBMJQRKESA-N 1 1 291.395 3.153 20 5 CGBDMO Cn1cccc1C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093584370 370143645 /nfs/dbraw/zinc/14/36/45/370143645.db2.gz MEJXEQGFOJKMMY-VMPITWQZSA-N 1 1 285.347 3.079 20 5 CGBDMO CC1(C)CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000112702671 370444544 /nfs/dbraw/zinc/44/45/44/370444544.db2.gz WYIMSTQZRDEWMK-UHFFFAOYSA-N 1 1 254.355 3.278 20 5 CGBDMO CC1(C)CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000112702671 370444547 /nfs/dbraw/zinc/44/45/47/370444547.db2.gz WYIMSTQZRDEWMK-UHFFFAOYSA-N 1 1 254.355 3.278 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCCCC1 ZINC000116268881 370553706 /nfs/dbraw/zinc/55/37/06/370553706.db2.gz GXRYQEHMAKFCMT-UHFFFAOYSA-N 1 1 254.717 3.234 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](C3CC3)C2)cs1 ZINC000344034201 217020409 /nfs/dbraw/zinc/02/04/09/217020409.db2.gz GWNLFPPTVKGFFF-GFCCVEGCSA-N 1 1 266.366 3.278 20 5 CGBDMO CCC(CC)[N@@H+](CC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000289567400 371761607 /nfs/dbraw/zinc/76/16/07/371761607.db2.gz YHBQUYSWVCLGRW-UHFFFAOYSA-N 1 1 293.367 3.044 20 5 CGBDMO CCOCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000159577288 372157852 /nfs/dbraw/zinc/15/78/52/372157852.db2.gz BWBDFSZQBAWBJP-UHFFFAOYSA-N 1 1 280.368 3.232 20 5 CGBDMO CCN1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000159291881 372127484 /nfs/dbraw/zinc/12/74/84/372127484.db2.gz UDMHKMJYQNYOTA-ZDUSSCGKSA-N 1 1 291.395 3.038 20 5 CGBDMO CCc1noc(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000292910655 372246521 /nfs/dbraw/zinc/24/65/21/372246521.db2.gz HHDUNUAAFFNMNC-UHFFFAOYSA-N 1 1 289.335 3.052 20 5 CGBDMO CC[C@H]1CC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000429280994 372336129 /nfs/dbraw/zinc/33/61/29/372336129.db2.gz AJWJHPUQLCQJPL-VIFPVBQESA-N 1 1 254.717 3.233 20 5 CGBDMO CC[C@H]1CC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000429280994 372336133 /nfs/dbraw/zinc/33/61/33/372336133.db2.gz AJWJHPUQLCQJPL-VIFPVBQESA-N 1 1 254.717 3.233 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccc(O)c2)C2CC2)cc1 ZINC000171928247 372854970 /nfs/dbraw/zinc/85/49/70/372854970.db2.gz HNFLNHMIEZTQKZ-UHFFFAOYSA-N 1 1 298.342 3.465 20 5 CGBDMO Cc1ncc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000298742598 373397849 /nfs/dbraw/zinc/39/78/49/373397849.db2.gz CGTKJXMPMBCHCO-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO CCC[N@H+]1CC[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000301078320 373649923 /nfs/dbraw/zinc/64/99/23/373649923.db2.gz HPMPRFOCQWQXDV-NSHDSACASA-N 1 1 297.786 3.392 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000182124733 374223498 /nfs/dbraw/zinc/22/34/98/374223498.db2.gz AAEIMOFZXVNCEW-SNVBAGLBSA-N 1 1 291.738 3.494 20 5 CGBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000311766454 374255558 /nfs/dbraw/zinc/25/55/58/374255558.db2.gz VOMMNQPJPWOCMT-SNVBAGLBSA-N 1 1 285.775 3.389 20 5 CGBDMO Cc1ccc([C@H](C)N[C@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000315029918 374325380 /nfs/dbraw/zinc/32/53/80/374325380.db2.gz WHBNENAXUNNFHZ-KGLIPLIRSA-N 1 1 293.411 3.283 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+][C@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000315029918 374325384 /nfs/dbraw/zinc/32/53/84/374325384.db2.gz WHBNENAXUNNFHZ-KGLIPLIRSA-N 1 1 293.411 3.283 20 5 CGBDMO CCOc1cc(C[N@H+]2CC[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331184525 374511741 /nfs/dbraw/zinc/51/17/41/374511741.db2.gz SKRRTOZQKZECRZ-NEPJUHHUSA-N 1 1 278.352 3.224 20 5 CGBDMO CCOc1cc(C[N@H+]2CC[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331184527 374512054 /nfs/dbraw/zinc/51/20/54/374512054.db2.gz SKRRTOZQKZECRZ-RYUDHWBXSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331314220 374521290 /nfs/dbraw/zinc/52/12/90/374521290.db2.gz IEJJECSKKILQLM-IUODEOHRSA-N 1 1 292.379 3.403 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331314220 374521298 /nfs/dbraw/zinc/52/12/98/374521298.db2.gz IEJJECSKKILQLM-IUODEOHRSA-N 1 1 292.379 3.403 20 5 CGBDMO C[N@@H+](CCCNc1ncc([N+](=O)[O-])s1)C1CCCCC1 ZINC000189682950 375434812 /nfs/dbraw/zinc/43/48/12/375434812.db2.gz BJAMKWMMMWBSHF-UHFFFAOYSA-N 1 1 298.412 3.118 20 5 CGBDMO Cc1ccc(C[N@H+]2CCS[C@@H](C)CC2)cc1[N+](=O)[O-] ZINC000190691028 375531067 /nfs/dbraw/zinc/53/10/67/375531067.db2.gz HOKFTDBQZJJKNE-LBPRGKRZSA-N 1 1 280.393 3.231 20 5 CGBDMO C[C@@H]([N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000535085017 376025602 /nfs/dbraw/zinc/02/56/02/376025602.db2.gz QLOYUGCPACCDJR-LLVKDONJSA-N 1 1 250.342 3.461 20 5 CGBDMO Cc1ccc(C[N@@H+]2CC[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000539912529 376347139 /nfs/dbraw/zinc/34/71/39/376347139.db2.gz BQFBJCHULQHQIU-AWEZNQCLSA-N 1 1 262.353 3.381 20 5 CGBDMO Cc1c(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000228884285 376453770 /nfs/dbraw/zinc/45/37/70/376453770.db2.gz YIRPYCWZRKKRKK-SWLSCSKDSA-N 1 1 292.379 3.029 20 5 CGBDMO Cc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000338954033 376598303 /nfs/dbraw/zinc/59/83/03/376598303.db2.gz HRLDISKCNCSWHO-UHFFFAOYSA-N 1 1 274.320 3.171 20 5 CGBDMO CC(C)[C@@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543396301 376635913 /nfs/dbraw/zinc/63/59/13/376635913.db2.gz FUFYMVNDIDOPTI-ZDUSSCGKSA-N 1 1 268.744 3.479 20 5 CGBDMO CC(C)[C@@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543396301 376635916 /nfs/dbraw/zinc/63/59/16/376635916.db2.gz FUFYMVNDIDOPTI-ZDUSSCGKSA-N 1 1 268.744 3.479 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000246070480 376960414 /nfs/dbraw/zinc/96/04/14/376960414.db2.gz CKXYSBIBAHAPKK-CABCVRRESA-N 1 1 292.404 3.455 20 5 CGBDMO C[C@H](Nc1[nH+]cnc2[nH]ccc21)c1ccccc1[N+](=O)[O-] ZINC000341004368 377351059 /nfs/dbraw/zinc/35/10/59/377351059.db2.gz TWPQUZRHGAXGEJ-VIFPVBQESA-N 1 1 283.291 3.039 20 5 CGBDMO CC[C@@]1(C)C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000248955354 377434917 /nfs/dbraw/zinc/43/49/17/377434917.db2.gz QCNNOYSFMXNPJV-CJNGLKHVSA-N 1 1 292.379 3.465 20 5 CGBDMO CC[C@@]1(C)C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000248955354 377434922 /nfs/dbraw/zinc/43/49/22/377434922.db2.gz QCNNOYSFMXNPJV-CJNGLKHVSA-N 1 1 292.379 3.465 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000341272940 377481849 /nfs/dbraw/zinc/48/18/49/377481849.db2.gz DUHKBHDPLRCNHI-WDEREUQCSA-N 1 1 296.342 3.220 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083169575 249006320 /nfs/dbraw/zinc/00/63/20/249006320.db2.gz XNYDFMLODAKDJU-NSHDSACASA-N 1 1 289.335 3.358 20 5 CGBDMO COC1CCC([N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000265178861 190164288 /nfs/dbraw/zinc/16/42/88/190164288.db2.gz DJGMAVOSMCUHKN-UHFFFAOYSA-N 1 1 292.379 3.293 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC[C@H]1CCCO1 ZINC000342595160 377680378 /nfs/dbraw/zinc/68/03/78/377680378.db2.gz HFDBVYGOOOEAMZ-SWLSCSKDSA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1ccc[nH+]c1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000343572818 378025545 /nfs/dbraw/zinc/02/55/45/378025545.db2.gz PXQWUDSBUWDUIN-YVMONPNESA-N 1 1 269.304 3.424 20 5 CGBDMO Cc1[nH+]ccn1CCCOc1c(Cl)cccc1[N+](=O)[O-] ZINC000271181947 378474495 /nfs/dbraw/zinc/47/44/95/378474495.db2.gz CTHRDVNBDIFHTJ-UHFFFAOYSA-N 1 1 295.726 3.222 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCc1ccncc1 ZINC000272358385 378620470 /nfs/dbraw/zinc/62/04/70/378620470.db2.gz MKFPRGPKLUBSIP-ZDUSSCGKSA-N 1 1 285.347 3.225 20 5 CGBDMO Cc1[nH+]ccn1CCCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000266183761 190238113 /nfs/dbraw/zinc/23/81/13/190238113.db2.gz ACVZVUSDDFLVJN-UHFFFAOYSA-N 1 1 288.351 3.300 20 5 CGBDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000348235124 378855595 /nfs/dbraw/zinc/85/55/95/378855595.db2.gz BPQNRIWRUDSKNU-JOYOIKCWSA-N 1 1 288.269 3.368 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCS[C@@H](C)CC1 ZINC000276888747 379013728 /nfs/dbraw/zinc/01/37/28/379013728.db2.gz FYDAKQUPZQROJG-RYUDHWBXSA-N 1 1 280.393 3.483 20 5 CGBDMO Cc1ccoc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282980726 380021114 /nfs/dbraw/zinc/02/11/14/380021114.db2.gz JFKJBHVZRYRRAN-UHFFFAOYSA-N 1 1 274.320 3.171 20 5 CGBDMO Cc1ccnc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000286159730 380168794 /nfs/dbraw/zinc/16/87/94/380168794.db2.gz PTYSRWAVLDJTHF-LBPRGKRZSA-N 1 1 271.320 3.149 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCC1CCOCC1 ZINC000268225880 190388357 /nfs/dbraw/zinc/38/83/57/190388357.db2.gz XJYKDEYGNVYREF-CYBMUJFWSA-N 1 1 292.379 3.404 20 5 CGBDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000419373624 380820119 /nfs/dbraw/zinc/82/01/19/380820119.db2.gz OMRVRSURJGKQCD-MXWKQRLJSA-N 1 1 289.335 3.212 20 5 CGBDMO CO[C@@]1(C)CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000279205357 194331343 /nfs/dbraw/zinc/33/13/43/194331343.db2.gz BFFROLLILWVQLU-WFASDCNBSA-N 1 1 278.352 3.157 20 5 CGBDMO C[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000357718553 381265560 /nfs/dbraw/zinc/26/55/60/381265560.db2.gz WOKAQQDXSPJMAZ-CHWSQXEVSA-N 1 1 278.352 3.094 20 5 CGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000353783513 220327126 /nfs/dbraw/zinc/32/71/26/220327126.db2.gz XSNHZONLYMPEFD-LSDHHAIUSA-N 1 1 292.379 3.230 20 5 CGBDMO COc1ccc(C)[nH+]c1NCc1ccc([N+](=O)[O-])cc1F ZINC000350312643 219006417 /nfs/dbraw/zinc/00/64/17/219006417.db2.gz SGNWZRYHNQAHDM-UHFFFAOYSA-N 1 1 291.282 3.058 20 5 CGBDMO Cc1ccc(C[N@@H+]2CCSCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000191810605 130309077 /nfs/dbraw/zinc/30/90/77/130309077.db2.gz LIAIMTIDFGSBOH-LBPRGKRZSA-N 1 1 280.393 3.231 20 5 CGBDMO Cc1occc1C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065536342 392148503 /nfs/dbraw/zinc/14/85/03/392148503.db2.gz HSFREJPHXCAXLG-UHFFFAOYSA-N 1 1 290.319 3.007 20 5 CGBDMO CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000058563094 392115573 /nfs/dbraw/zinc/11/55/73/392115573.db2.gz AZHADMVVPUMNEC-UHFFFAOYSA-N 1 1 278.352 3.096 20 5 CGBDMO CC[C@@H](CSC)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000091098119 392230147 /nfs/dbraw/zinc/23/01/47/392230147.db2.gz GUXFJJWEYHKHGV-LBPRGKRZSA-N 1 1 298.408 3.047 20 5 CGBDMO C[C@H]1CCCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000512201629 392850124 /nfs/dbraw/zinc/85/01/24/392850124.db2.gz KCPBJYFBRNZOOS-NSHDSACASA-N 1 1 266.316 3.498 20 5 CGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000520298912 392917743 /nfs/dbraw/zinc/91/77/43/392917743.db2.gz AKUWSWGHXFGKOG-LLVKDONJSA-N 1 1 283.347 3.266 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000525275113 392937360 /nfs/dbraw/zinc/93/73/60/392937360.db2.gz JYMQABNGUIKVOA-GRYCIOLGSA-N 1 1 280.393 3.482 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ncc([N+](=O)[O-])s1 ZINC000195509054 392970006 /nfs/dbraw/zinc/97/00/06/392970006.db2.gz GOLRFJFRYAQFKG-LLVKDONJSA-N 1 1 298.412 3.118 20 5 CGBDMO CC(C)C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000466738286 393053599 /nfs/dbraw/zinc/05/35/99/393053599.db2.gz TULHZWWLHUZSGJ-CQSZACIVSA-N 1 1 292.379 3.342 20 5 CGBDMO CC(C)[N@H+]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000349211678 393141223 /nfs/dbraw/zinc/14/12/23/393141223.db2.gz HSHHIWXAMNISLJ-UHFFFAOYSA-N 1 1 297.786 3.169 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266965532 393185645 /nfs/dbraw/zinc/18/56/45/393185645.db2.gz JOAOKEQIZLOTKO-UHFFFAOYSA-N 1 1 286.335 3.010 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H]2CCSC2)C2CC2)c1 ZINC000278425981 393321355 /nfs/dbraw/zinc/32/13/55/393321355.db2.gz JGKWKNGVDRWPQW-ZDUSSCGKSA-N 1 1 292.404 3.312 20 5 CGBDMO C[C@@H]1CC[C@@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000429554220 393477912 /nfs/dbraw/zinc/47/79/12/393477912.db2.gz ARYBLNAMHDOWQE-TZMCWYRMSA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000429578703 393486519 /nfs/dbraw/zinc/48/65/19/393486519.db2.gz JMUSTVUPNCAFHJ-GHMZBOCLSA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@@H]1C[C@H]1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000488358018 393496433 /nfs/dbraw/zinc/49/64/33/393496433.db2.gz QWXMJUBVPWAHJA-YPMHNXCESA-N 1 1 260.337 3.215 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493278953 393769959 /nfs/dbraw/zinc/76/99/59/393769959.db2.gz GJRXPHYGLREQLZ-SECBINFHSA-N 1 1 254.717 3.090 20 5 CGBDMO C[C@@H]([NH2+][C@@H](C)c1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC000080267049 287064512 /nfs/dbraw/zinc/06/45/12/287064512.db2.gz KOKRKSDMBCRNMI-ZJUUUORDSA-N 1 1 277.349 3.463 20 5 CGBDMO C[N@H+](CCc1cccs1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000075965954 165106282 /nfs/dbraw/zinc/10/62/82/165106282.db2.gz WGZSXNWXKJDSJB-UHFFFAOYSA-N 1 1 294.351 3.470 20 5 CGBDMO C[N@@H+](CCc1cccs1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000075965954 165106283 /nfs/dbraw/zinc/10/62/83/165106283.db2.gz WGZSXNWXKJDSJB-UHFFFAOYSA-N 1 1 294.351 3.470 20 5 CGBDMO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CCS1 ZINC000076073199 165108260 /nfs/dbraw/zinc/10/82/60/165108260.db2.gz OWFRSGPXCAELSA-CYBMUJFWSA-N 1 1 280.393 3.231 20 5 CGBDMO Cc1noc(C)c1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000092329447 165290665 /nfs/dbraw/zinc/29/06/65/165290665.db2.gz AMPDZCUNZWKMLR-SECBINFHSA-N 1 1 275.308 3.050 20 5 CGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000092427553 165292752 /nfs/dbraw/zinc/29/27/52/165292752.db2.gz HPDPMVLFBKLTDO-PMGBHYCQSA-N 1 1 290.363 3.109 20 5 CGBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC1CCOCC1 ZINC000119603303 287171669 /nfs/dbraw/zinc/17/16/69/287171669.db2.gz PSIKEMUMZPVYAS-UHFFFAOYSA-N 1 1 298.770 3.107 20 5 CGBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccncc1 ZINC000035368166 172159781 /nfs/dbraw/zinc/15/97/81/172159781.db2.gz HFNRUHMDPGUICU-SNVBAGLBSA-N 1 1 291.738 3.494 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccccc1F ZINC000020053084 416444666 /nfs/dbraw/zinc/44/46/66/416444666.db2.gz MAOGXMSZKZLUNG-UHFFFAOYSA-N 1 1 260.268 3.024 20 5 CGBDMO CSC[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000135486487 274178794 /nfs/dbraw/zinc/17/87/94/274178794.db2.gz GCBACPJWRMYZEM-CYBMUJFWSA-N 1 1 280.393 3.231 20 5 CGBDMO CC[C@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000051532622 264006838 /nfs/dbraw/zinc/00/68/38/264006838.db2.gz MXMSNUYCRWFKIS-LBPRGKRZSA-N 1 1 278.352 3.225 20 5 CGBDMO CC(C)c1ccc(C[N@@H+](C)[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000348561773 276052475 /nfs/dbraw/zinc/05/24/75/276052475.db2.gz YADMAZMRCZHOKQ-GOEBONIOSA-N 1 1 292.379 3.063 20 5 CGBDMO COC[C@@H]1CCCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000342747086 277250780 /nfs/dbraw/zinc/25/07/80/277250780.db2.gz XLIWFQVFTUOKHN-ZIAGYGMSSA-N 1 1 292.379 3.404 20 5 CGBDMO CO[C@@]1(C)CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000330962050 277319497 /nfs/dbraw/zinc/31/94/97/277319497.db2.gz CBFWHDOXDNLICW-BBRMVZONSA-N 1 1 292.379 3.465 20 5 CGBDMO COC(C)(C)C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000533478793 288382626 /nfs/dbraw/zinc/38/26/26/288382626.db2.gz WNWNEASOOBKXTE-LLVKDONJSA-N 1 1 266.341 3.013 20 5 CGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000549578149 289047336 /nfs/dbraw/zinc/04/73/36/289047336.db2.gz SKCRBSWSSGNXAW-GFCCVEGCSA-N 1 1 295.383 3.136 20 5 CGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](CC3CC3)C2)c1 ZINC000550414454 289076475 /nfs/dbraw/zinc/07/64/75/289076475.db2.gz MYWUFBGNNDCEFR-AWEZNQCLSA-N 1 1 290.363 3.096 20 5 CGBDMO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000275920312 293661023 /nfs/dbraw/zinc/66/10/23/293661023.db2.gz VTOOBZVQUBSAAJ-CMPLNLGQSA-N 1 1 286.335 3.105 20 5 CGBDMO CCC[C@H](NCCC[NH2+]CC)c1cccc([N+](=O)[O-])c1 ZINC000563700593 322007200 /nfs/dbraw/zinc/00/72/00/322007200.db2.gz JJOGXYMLZQQBMR-HNNXBMFYSA-N 1 1 279.384 3.025 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000566617398 322131705 /nfs/dbraw/zinc/13/17/05/322131705.db2.gz DZCHJKRGVRFOEB-MRXNPFEDSA-N 1 1 297.358 3.022 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cs1 ZINC000576104532 335154684 /nfs/dbraw/zinc/15/46/84/335154684.db2.gz OWKXWGLFALESTJ-OLZOCXBDSA-N 1 1 296.392 3.047 20 5 CGBDMO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000182431133 335819089 /nfs/dbraw/zinc/81/90/89/335819089.db2.gz DQWGNZUYONOBNH-ZDUSSCGKSA-N 1 1 289.335 3.441 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774319 521036834 /nfs/dbraw/zinc/03/68/34/521036834.db2.gz XIKUYJFRIZYULT-JTQLQIEISA-N 1 1 254.305 3.354 20 5 CGBDMO C[N@H+](Cc1ccsc1)Cc1cccc([N+](=O)[O-])c1 ZINC000061800519 523484188 /nfs/dbraw/zinc/48/41/88/523484188.db2.gz CDAGDTKDCSLATH-UHFFFAOYSA-N 1 1 262.334 3.288 20 5 CGBDMO C[N@@H+](Cc1ccsc1)Cc1cccc([N+](=O)[O-])c1 ZINC000061800519 523484197 /nfs/dbraw/zinc/48/41/97/523484197.db2.gz CDAGDTKDCSLATH-UHFFFAOYSA-N 1 1 262.334 3.288 20 5 CGBDMO C[C@@H](C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000183958144 524573687 /nfs/dbraw/zinc/57/36/87/524573687.db2.gz UBNIHRZZKVWOIK-NSHDSACASA-N 1 1 291.376 3.287 20 5 CGBDMO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000187846014 527458442 /nfs/dbraw/zinc/45/84/42/527458442.db2.gz JYBSDBLXCKVJOU-PWSUYJOCSA-N 1 1 286.335 3.105 20 5 CGBDMO CC(C)c1ccc(C[N@@H+](C)CC(C)(C)CO)cc1[N+](=O)[O-] ZINC000449417331 528091301 /nfs/dbraw/zinc/09/13/01/528091301.db2.gz XLRHTQCAORISGE-UHFFFAOYSA-N 1 1 294.395 3.169 20 5 CGBDMO Cc1cccc2c1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000729480416 571921286 /nfs/dbraw/zinc/92/12/86/571921286.db2.gz YKCZENSHIRDDTI-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO Cc1cccc2c1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000729480416 571921289 /nfs/dbraw/zinc/92/12/89/571921289.db2.gz YKCZENSHIRDDTI-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746666449 572889940 /nfs/dbraw/zinc/88/99/40/572889940.db2.gz NPNVIZKDBIEMLZ-VIFPVBQESA-N 1 1 254.717 3.090 20 5 CGBDMO C[C@@H]([N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21)C1(C)CC1 ZINC000176829173 618742223 /nfs/dbraw/zinc/74/22/23/618742223.db2.gz NBQJJIDXQPGPCZ-LLVKDONJSA-N 1 1 288.351 3.022 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CF)C2)cc1Cl ZINC000895546139 619847640 /nfs/dbraw/zinc/84/76/40/619847640.db2.gz YCMBHZVLZQJJNJ-NSHDSACASA-N 1 1 286.734 3.430 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CF)C2)cc1Cl ZINC000895546139 619847642 /nfs/dbraw/zinc/84/76/42/619847642.db2.gz YCMBHZVLZQJJNJ-NSHDSACASA-N 1 1 286.734 3.430 20 5 CGBDMO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245142 621637268 /nfs/dbraw/zinc/63/72/68/621637268.db2.gz IULCKNUHDKAGRP-MNOVXSKESA-N 1 1 288.351 3.081 20 5 CGBDMO Cc1nn(C[N@H+]2CCC3(C2)CCCCC3)c(C)c1[N+](=O)[O-] ZINC000172938103 623300923 /nfs/dbraw/zinc/30/09/23/623300923.db2.gz VGOSAPXXKXOLCW-UHFFFAOYSA-N 1 1 292.383 3.022 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC2(CCCC2)C1 ZINC000174276236 623381438 /nfs/dbraw/zinc/38/14/38/623381438.db2.gz UDSNIFYMPTZQRW-UHFFFAOYSA-N 1 1 260.337 3.361 20 5 CGBDMO CC1(C)CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154365307 624261799 /nfs/dbraw/zinc/26/17/99/624261799.db2.gz QRDOHHKYBVTLCC-HNNXBMFYSA-N 1 1 292.379 3.140 20 5 CGBDMO CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000174863633 624362679 /nfs/dbraw/zinc/36/26/79/624362679.db2.gz GPLJXPMXSSVWJJ-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000174863633 624362681 /nfs/dbraw/zinc/36/26/81/624362681.db2.gz GPLJXPMXSSVWJJ-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[NH+](CC)Cc1cccc([N+](=O)[O-])c1Br ZINC000233447301 624626290 /nfs/dbraw/zinc/62/62/90/624626290.db2.gz VJHNHEDJUJMPNK-UHFFFAOYSA-N 1 1 287.157 3.199 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000839676408 626777199 /nfs/dbraw/zinc/77/71/99/626777199.db2.gz LWKXZHGNIHMWHX-GFCCVEGCSA-N 1 1 278.327 3.356 20 5 CGBDMO Cc1cc(NCC2=CC[N@@H+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000760579921 626979794 /nfs/dbraw/zinc/97/97/94/626979794.db2.gz MIQQEGOHXVALOR-UHFFFAOYSA-N 1 1 295.770 3.230 20 5 CGBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H]2CCC2CCCC2)c1 ZINC000767761391 627434740 /nfs/dbraw/zinc/43/47/40/627434740.db2.gz NVJDBAXXKOLNPE-CQSZACIVSA-N 1 1 292.383 3.184 20 5 CGBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H]2CCC2CCCC2)c1 ZINC000767761391 627434746 /nfs/dbraw/zinc/43/47/46/627434746.db2.gz NVJDBAXXKOLNPE-CQSZACIVSA-N 1 1 292.383 3.184 20 5 CGBDMO C[C@H]1CCC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769390182 627547852 /nfs/dbraw/zinc/54/78/52/627547852.db2.gz VQZOWQCPGVNQCS-VIFPVBQESA-N 1 1 299.168 3.342 20 5 CGBDMO C[C@H]1CCC[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769390182 627547854 /nfs/dbraw/zinc/54/78/54/627547854.db2.gz VQZOWQCPGVNQCS-VIFPVBQESA-N 1 1 299.168 3.342 20 5 CGBDMO Cc1c([C@H](C)[NH2+]Cc2cccc(F)n2)cccc1[N+](=O)[O-] ZINC000773089596 627854077 /nfs/dbraw/zinc/85/40/77/627854077.db2.gz SBPQYCWTNCBNGS-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)C ZINC000774839022 628037075 /nfs/dbraw/zinc/03/70/75/628037075.db2.gz FPPUXHQIGOXHLJ-UHFFFAOYSA-N 1 1 295.339 3.371 20 5 CGBDMO CO[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1C ZINC000784364730 628809773 /nfs/dbraw/zinc/80/97/73/628809773.db2.gz HZAXRIMRVARJEM-QMTHXVAHSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1C ZINC000784364730 628809775 /nfs/dbraw/zinc/80/97/75/628809775.db2.gz HZAXRIMRVARJEM-QMTHXVAHSA-N 1 1 298.770 3.105 20 5 CGBDMO CC(C)CC[C@@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000863658338 629637120 /nfs/dbraw/zinc/63/71/20/629637120.db2.gz MAJHHLYCHTYFBI-GFCCVEGCSA-N 1 1 290.323 3.081 20 5 CGBDMO Cc1c(C[NH+]2CCC(F)(F)CC2)cccc1[N+](=O)[O-] ZINC000796541122 629798628 /nfs/dbraw/zinc/79/86/28/629798628.db2.gz PCNQZRPPYWPXBA-UHFFFAOYSA-N 1 1 270.279 3.134 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)cs1 ZINC000798962889 630129311 /nfs/dbraw/zinc/12/93/11/630129311.db2.gz RZDVXJXIMNYUFJ-GFCCVEGCSA-N 1 1 289.360 3.041 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](c3ccccn3)C2)cs1 ZINC000798962889 630129315 /nfs/dbraw/zinc/12/93/15/630129315.db2.gz RZDVXJXIMNYUFJ-GFCCVEGCSA-N 1 1 289.360 3.041 20 5 CGBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000804461741 630529531 /nfs/dbraw/zinc/52/95/31/630529531.db2.gz RWNKQYHYQSAYQZ-LLVKDONJSA-N 1 1 297.786 3.026 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000816646221 632031000 /nfs/dbraw/zinc/03/10/00/632031000.db2.gz AEEICMSNFGJFFA-XBJLJFKASA-N 1 1 260.337 3.338 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CC1=CCCC1)C2 ZINC000828099731 633560812 /nfs/dbraw/zinc/56/08/12/633560812.db2.gz UWQGDHOQFBSGPH-UHFFFAOYSA-N 1 1 258.321 3.063 20 5 CGBDMO Cc1ccncc1C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872076378 633999089 /nfs/dbraw/zinc/99/90/89/633999089.db2.gz KPAKOYGEFAHHKE-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000877565578 635094284 /nfs/dbraw/zinc/09/42/84/635094284.db2.gz KCZODJFQEQLVAK-WBMJQRKESA-N 1 1 292.379 3.068 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@H]3CSC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000877736210 635169657 /nfs/dbraw/zinc/16/96/57/635169657.db2.gz QTPSYMLUNZOHLT-UONOGXRCSA-N 1 1 292.404 3.088 20 5 CGBDMO CC[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000135191224 637095958 /nfs/dbraw/zinc/09/59/58/637095958.db2.gz SYUBPJCEXWRDRL-JTQLQIEISA-N 1 1 268.744 3.480 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])Cc2ccccc21 ZINC000885944453 637325681 /nfs/dbraw/zinc/32/56/81/637325681.db2.gz QGVUQFBHSDJHMX-GFCCVEGCSA-N 1 1 283.331 3.109 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])Cc2ccccc21 ZINC000885944453 637325685 /nfs/dbraw/zinc/32/56/85/637325685.db2.gz QGVUQFBHSDJHMX-GFCCVEGCSA-N 1 1 283.331 3.109 20 5 CGBDMO CC(C)C[C@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885973663 637338880 /nfs/dbraw/zinc/33/88/80/637338880.db2.gz XSMFIXYTVDYYTB-CYBMUJFWSA-N 1 1 263.341 3.000 20 5 CGBDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886012617 637361499 /nfs/dbraw/zinc/36/14/99/637361499.db2.gz LHVUNJKERTWODJ-BBRMVZONSA-N 1 1 297.358 3.368 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])CC12CCC2 ZINC000886102569 637414514 /nfs/dbraw/zinc/41/45/14/637414514.db2.gz KGPLTZXCEHVMRU-GFCCVEGCSA-N 1 1 275.352 3.002 20 5 CGBDMO CCCC[C@H](C)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886211763 637458941 /nfs/dbraw/zinc/45/89/41/637458941.db2.gz XGWKWQTYPJSHIT-NSHDSACASA-N 1 1 251.330 3.000 20 5 CGBDMO CC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1F ZINC000886266886 637473010 /nfs/dbraw/zinc/47/30/10/637473010.db2.gz AYCWCGWMLWOCJU-AWEZNQCLSA-N 1 1 289.310 3.370 20 5 CGBDMO CCC1(CC)CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000853563319 637868270 /nfs/dbraw/zinc/86/82/70/637868270.db2.gz RAOQBVBVTKWBGB-UHFFFAOYSA-N 1 1 294.399 3.268 20 5 CGBDMO CCC1(CC)CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000853563319 637868273 /nfs/dbraw/zinc/86/82/73/637868273.db2.gz RAOQBVBVTKWBGB-UHFFFAOYSA-N 1 1 294.399 3.268 20 5 CGBDMO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000112694810 638108692 /nfs/dbraw/zinc/10/86/92/638108692.db2.gz HTVLCSZNGLDIST-HNNXBMFYSA-N 1 1 288.351 3.078 20 5 CGBDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000112694810 638108697 /nfs/dbraw/zinc/10/86/97/638108697.db2.gz HTVLCSZNGLDIST-HNNXBMFYSA-N 1 1 288.351 3.078 20 5 CGBDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774922 640802297 /nfs/dbraw/zinc/80/22/97/640802297.db2.gz UZHFGMZDWGVVFO-WDEREUQCSA-N 1 1 266.316 3.354 20 5 CGBDMO C[NH+](C)/C=C/c1cc(NCCC2CCC2)ncc1[N+](=O)[O-] ZINC001158053369 805921276 /nfs/dbraw/zinc/92/12/76/805921276.db2.gz QHTUZRHQAWZTEL-VQHVLOKHSA-N 1 1 290.367 3.124 20 5 CGBDMO CC[C@@H]1C[C@@H](C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254373769 806387732 /nfs/dbraw/zinc/38/77/32/806387732.db2.gz HJFXCVHDRHSIQB-BLLLJJGKSA-N 1 1 290.363 3.116 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCCCC1(F)F)C2 ZINC001254579059 806455852 /nfs/dbraw/zinc/45/58/52/806455852.db2.gz PIPHVPCOTMXCBF-GXTWGEPZSA-N 1 1 296.317 3.230 20 5 CGBDMO C[C@]1(F)CCCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254594981 806456636 /nfs/dbraw/zinc/45/66/36/806456636.db2.gz ULRWKXUOHVZHNO-CVEARBPZSA-N 1 1 292.354 3.276 20 5 CGBDMO C[C@H]1CCCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601098 806458235 /nfs/dbraw/zinc/45/82/35/806458235.db2.gz ZGNQJEADCIWUBM-LRDDRELGSA-N 1 1 274.364 3.184 20 5 CGBDMO C[C@H]1CCCCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601368 806458606 /nfs/dbraw/zinc/45/86/06/806458606.db2.gz YTWPFAZDVIDYGZ-BLLLJJGKSA-N 1 1 274.364 3.327 20 5 CGBDMO CC[C@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037110111 798858825 /nfs/dbraw/zinc/85/88/25/798858825.db2.gz LXHJSXQNKASXTK-VIFPVBQESA-N 1 1 256.733 3.479 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](C(F)F)C2)c1 ZINC000707166867 799974519 /nfs/dbraw/zinc/97/45/19/799974519.db2.gz HGBUNPMANXOJMJ-QMMMGPOBSA-N 1 1 290.697 3.335 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](C(F)F)C2)c1 ZINC000707166867 799974524 /nfs/dbraw/zinc/97/45/24/799974524.db2.gz HGBUNPMANXOJMJ-QMMMGPOBSA-N 1 1 290.697 3.335 20 5 CGBDMO Cc1cc(N[C@H]2CC[N@H+](C(C)(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC001163710740 806805880 /nfs/dbraw/zinc/80/58/80/806805880.db2.gz HWYLWKDHXWQDJJ-NSHDSACASA-N 1 1 295.358 3.327 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1CCSCC1)C2 ZINC001119237008 802636484 /nfs/dbraw/zinc/63/64/84/802636484.db2.gz LYLRYYKAPKBCKH-UHFFFAOYSA-N 1 1 278.377 3.054 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1CCSCC1)C2 ZINC001119237008 802636488 /nfs/dbraw/zinc/63/64/88/802636488.db2.gz LYLRYYKAPKBCKH-UHFFFAOYSA-N 1 1 278.377 3.054 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCCC[C@H]2c2cccnc2)C1 ZINC001169021872 807554789 /nfs/dbraw/zinc/55/47/89/807554789.db2.gz ASWRGDVIOMMHSX-IMJJTQAJSA-N 1 1 289.379 3.054 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2c2cccs2)C1 ZINC001169030317 807555403 /nfs/dbraw/zinc/55/54/03/807555403.db2.gz YQSAIRRDAMUIFE-JHJVBQTASA-N 1 1 280.393 3.330 20 5 CGBDMO CCC[C@@H]1CCCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169030096 807556282 /nfs/dbraw/zinc/55/62/82/807556282.db2.gz WCMAZWKAMHPZOW-MJBXVCDLSA-N 1 1 254.374 3.086 20 5 CGBDMO CC[C@@H]1CCC[N@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170344403 807828278 /nfs/dbraw/zinc/82/82/78/807828278.db2.gz BTKQFROSSIKTSR-TZMCWYRMSA-N 1 1 292.379 3.409 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCn2cccc2[C@H]1C ZINC001173233745 808542486 /nfs/dbraw/zinc/54/24/86/808542486.db2.gz MYJGUGQFANKTKT-UONOGXRCSA-N 1 1 299.374 3.404 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCn2cccc2[C@H]1C ZINC001173233745 808542489 /nfs/dbraw/zinc/54/24/89/808542489.db2.gz MYJGUGQFANKTKT-UONOGXRCSA-N 1 1 299.374 3.404 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cscn1 ZINC001173231378 808542755 /nfs/dbraw/zinc/54/27/55/808542755.db2.gz BWCOGIZVIBQVQZ-NSHDSACASA-N 1 1 291.376 3.114 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cscn1 ZINC001173231378 808542762 /nfs/dbraw/zinc/54/27/62/808542762.db2.gz BWCOGIZVIBQVQZ-NSHDSACASA-N 1 1 291.376 3.114 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)CC12CC2 ZINC001173233227 808543457 /nfs/dbraw/zinc/54/34/57/808543457.db2.gz UUHPPNAKJIJWEK-CHWSQXEVSA-N 1 1 274.364 3.400 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2occc2C1 ZINC001173234234 808543637 /nfs/dbraw/zinc/54/36/37/808543637.db2.gz QGSBNWQNZHUDGZ-GFCCVEGCSA-N 1 1 286.331 3.177 20 5 CGBDMO C[N@H+]1CCC=C(Nc2cccc3nc4ccccc4nc32)C1 ZINC001175580701 809461036 /nfs/dbraw/zinc/46/10/36/809461036.db2.gz QQJXVXWUZFUZPG-UHFFFAOYSA-N 1 1 290.370 3.414 20 5 CGBDMO CCC(CC)[N@@H+](CC)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001182141466 810095232 /nfs/dbraw/zinc/09/52/32/810095232.db2.gz UUCCISCCPPBXID-UHFFFAOYSA-N 1 1 296.367 3.320 20 5 CGBDMO CC[C@@H](C)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001191521630 810722389 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/nfs/dbraw/zinc/25/52/96/349255296.db2.gz MDPNPVRROJCCJF-UHFFFAOYSA-N 1 1 290.363 3.406 20 5 CGBDMO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000271479752 191161567 /nfs/dbraw/zinc/16/15/67/191161567.db2.gz IVKBDTKYDPVKGG-YGRLFVJLSA-N 1 1 286.335 3.046 20 5 CGBDMO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cccc([N+](=O)[O-])c1 ZINC000271479752 191161570 /nfs/dbraw/zinc/16/15/70/191161570.db2.gz IVKBDTKYDPVKGG-YGRLFVJLSA-N 1 1 286.335 3.046 20 5 CGBDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000154133085 188125445 /nfs/dbraw/zinc/12/54/45/188125445.db2.gz LCGGCUONOAPKRG-GFCCVEGCSA-N 1 1 298.770 3.107 20 5 CGBDMO C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000124404173 138374977 /nfs/dbraw/zinc/37/49/77/138374977.db2.gz CRSOEVPSKDXUID-VIFPVBQESA-N 1 1 286.278 3.181 20 5 CGBDMO C[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000124404173 138374978 /nfs/dbraw/zinc/37/49/78/138374978.db2.gz CRSOEVPSKDXUID-VIFPVBQESA-N 1 1 286.278 3.181 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000301520672 201042505 /nfs/dbraw/zinc/04/25/05/201042505.db2.gz LEKYSFDCPADFGF-GFCCVEGCSA-N 1 1 277.368 3.047 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(C)(F)F ZINC000449416487 239398906 /nfs/dbraw/zinc/39/89/06/239398906.db2.gz UGJRWOKQLXLVQR-NXEZZACHSA-N 1 1 272.295 3.159 20 5 CGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCC1=CCCCC1)CC2 ZINC000450688568 240036832 /nfs/dbraw/zinc/03/68/32/240036832.db2.gz CTIPUTSNFDIHGF-UHFFFAOYSA-N 1 1 287.363 3.238 20 5 CGBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000121066158 370826826 /nfs/dbraw/zinc/82/68/26/370826826.db2.gz VQTPDBAITFEQJX-NSHDSACASA-N 1 1 286.784 3.186 20 5 CGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC(C)(C)C ZINC000463371563 242396503 /nfs/dbraw/zinc/39/65/03/242396503.db2.gz ZXUITMADNQWGMH-UHFFFAOYSA-N 1 1 280.368 3.471 20 5 CGBDMO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000275920320 193163134 /nfs/dbraw/zinc/16/31/34/193163134.db2.gz VTOOBZVQUBSAAJ-ZYHUDNBSSA-N 1 1 286.335 3.105 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)C(C)C ZINC000479595203 243114560 /nfs/dbraw/zinc/11/45/60/243114560.db2.gz RMBUQQBWWNJNHK-GFCCVEGCSA-N 1 1 250.342 3.461 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492759735 244019036 /nfs/dbraw/zinc/01/90/36/244019036.db2.gz XJJHICMWXPCVOG-OLZOCXBDSA-N 1 1 292.379 3.471 20 5 CGBDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093558691 370141050 /nfs/dbraw/zinc/14/10/50/370141050.db2.gz IVZWOPYNCDMKIF-LBPRGKRZSA-N 1 1 282.409 3.477 20 5 CGBDMO CC(C)COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000337331307 214011508 /nfs/dbraw/zinc/01/15/08/214011508.db2.gz HWDAAFOCBOIVDP-UHFFFAOYSA-N 1 1 294.395 3.478 20 5 CGBDMO COc1cc(C[N@@H+](C)C[C@@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000344072118 217037041 /nfs/dbraw/zinc/03/70/41/217037041.db2.gz SEJIHWDZALCKJF-CYBMUJFWSA-N 1 1 290.363 3.392 20 5 CGBDMO CC[C@@]1(C)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000344226988 217108938 /nfs/dbraw/zinc/10/89/38/217108938.db2.gz ZWQJLWPZVIHRLO-AWEZNQCLSA-N 1 1 266.316 3.356 20 5 CGBDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000160104112 372212958 /nfs/dbraw/zinc/21/29/58/372212958.db2.gz JZGGQSOFKKJUEB-KBPBESRZSA-N 1 1 293.411 3.284 20 5 CGBDMO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000160104112 372212966 /nfs/dbraw/zinc/21/29/66/372212966.db2.gz JZGGQSOFKKJUEB-KBPBESRZSA-N 1 1 293.411 3.284 20 5 CGBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000171636174 372797869 /nfs/dbraw/zinc/79/78/69/372797869.db2.gz FPHAQQOYPSOJRK-UHFFFAOYSA-N 1 1 278.327 3.354 20 5 CGBDMO Cc1cc[nH+]c(N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000446979075 373389436 /nfs/dbraw/zinc/38/94/36/373389436.db2.gz IEEOJNBENOPNKG-UHFFFAOYSA-N 1 1 283.331 3.467 20 5 CGBDMO CC[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000310919681 374228979 /nfs/dbraw/zinc/22/89/79/374228979.db2.gz GYZCOMYKDBSCPO-SNVBAGLBSA-N 1 1 254.305 3.212 20 5 CGBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCc1ccncc1 ZINC000183760130 374453979 /nfs/dbraw/zinc/45/39/79/374453979.db2.gz KKYRWHZIPOSGOE-GQCTYLIASA-N 1 1 297.358 3.178 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000330713197 374488835 /nfs/dbraw/zinc/48/88/35/374488835.db2.gz RFHBSMOFQDPUFX-BBRMVZONSA-N 1 1 292.379 3.321 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000330713197 374488840 /nfs/dbraw/zinc/48/88/40/374488840.db2.gz RFHBSMOFQDPUFX-BBRMVZONSA-N 1 1 292.379 3.321 20 5 CGBDMO CCc1ncc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000453386371 374473269 /nfs/dbraw/zinc/47/32/69/374473269.db2.gz VGUWQPPJLMSOAA-LLVKDONJSA-N 1 1 289.335 3.304 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331314223 374523289 /nfs/dbraw/zinc/52/32/89/374523289.db2.gz IEJJECSKKILQLM-WFASDCNBSA-N 1 1 292.379 3.403 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331314223 374523295 /nfs/dbraw/zinc/52/32/95/374523295.db2.gz IEJJECSKKILQLM-WFASDCNBSA-N 1 1 292.379 3.403 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@H](C)CC1 ZINC000190698858 375531992 /nfs/dbraw/zinc/53/19/92/375531992.db2.gz SDCOCRBUERIDSK-GFCCVEGCSA-N 1 1 280.393 3.231 20 5 CGBDMO CN(CC[N@@H+](C)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000520420559 375854429 /nfs/dbraw/zinc/85/44/29/375854429.db2.gz KMFUFGVDQPPWSI-UHFFFAOYSA-N 1 1 291.395 3.296 20 5 CGBDMO COC(C)(C)C[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538709284 376259032 /nfs/dbraw/zinc/25/90/32/376259032.db2.gz BQFUFXVDEAFYCK-GFCCVEGCSA-N 1 1 280.368 3.321 20 5 CGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000538956022 376281786 /nfs/dbraw/zinc/28/17/86/376281786.db2.gz HGRWLWMWSYTXGY-TZMCWYRMSA-N 1 1 262.353 3.400 20 5 CGBDMO CC1=CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000538727416 376263234 /nfs/dbraw/zinc/26/32/34/376263234.db2.gz PKLYSGINLWTHPB-GQCTYLIASA-N 1 1 258.321 3.260 20 5 CGBDMO Cc1ccc(C[N@H+]2CCS[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000539829394 376337284 /nfs/dbraw/zinc/33/72/84/376337284.db2.gz QYCJKCAVSSGXSQ-OAHLLOKOSA-N 1 1 294.420 3.477 20 5 CGBDMO Cc1ccc(C[N@@H+]2CC[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000539912531 376347966 /nfs/dbraw/zinc/34/79/66/376347966.db2.gz BQFBJCHULQHQIU-CQSZACIVSA-N 1 1 262.353 3.381 20 5 CGBDMO Cc1c(C[NH2+][C@@H](C)c2ccncc2F)cccc1[N+](=O)[O-] ZINC000338376052 376354799 /nfs/dbraw/zinc/35/47/99/376354799.db2.gz YTBWYCIDEZHJJE-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000540056575 376355708 /nfs/dbraw/zinc/35/57/08/376355708.db2.gz SZJXOVYFJRTQLM-QWHCGFSZSA-N 1 1 278.352 3.237 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000229327753 376462461 /nfs/dbraw/zinc/46/24/61/376462461.db2.gz PGLWEHJPXCBJFK-GFCCVEGCSA-N 1 1 265.357 3.045 20 5 CGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC000339004464 376623761 /nfs/dbraw/zinc/62/37/61/376623761.db2.gz WVVBUFXMFPLKCC-STQMWFEESA-N 1 1 277.368 3.270 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](CC3CC3)C2)cc1 ZINC000339676475 376804014 /nfs/dbraw/zinc/80/40/14/376804014.db2.gz UKNUEXQXDXLNDG-AWEZNQCLSA-N 1 1 260.337 3.217 20 5 CGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000341125308 377409034 /nfs/dbraw/zinc/40/90/34/377409034.db2.gz QCAHZOBFYRKSGX-ZDUSSCGKSA-N 1 1 294.399 3.139 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000272518047 378655910 /nfs/dbraw/zinc/65/59/10/378655910.db2.gz KYMVUSYYLVLNKS-DVOMOZLQSA-N 1 1 292.379 3.139 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352785242 379958097 /nfs/dbraw/zinc/95/80/97/379958097.db2.gz VPXQLLVCRZKLLO-WCQYABFASA-N 1 1 278.352 3.366 20 5 CGBDMO C[C@H](C1CCC1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000357041280 381006628 /nfs/dbraw/zinc/00/66/28/381006628.db2.gz QQSBYPXZWHCODJ-GFCCVEGCSA-N 1 1 262.353 3.258 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000357669999 381241900 /nfs/dbraw/zinc/24/19/00/381241900.db2.gz ZHUGAGNRHBPMOV-AWEZNQCLSA-N 1 1 289.379 3.332 20 5 CGBDMO CC1=C(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000280927980 195033162 /nfs/dbraw/zinc/03/31/62/195033162.db2.gz RNXYCNNPVLXLMK-UHFFFAOYSA-N 1 1 291.307 3.045 20 5 CGBDMO CC1=C(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000280927980 195033164 /nfs/dbraw/zinc/03/31/64/195033164.db2.gz RNXYCNNPVLXLMK-UHFFFAOYSA-N 1 1 291.307 3.045 20 5 CGBDMO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](C)OC ZINC000361566150 285100252 /nfs/dbraw/zinc/10/02/52/285100252.db2.gz RWEOLVGIQCYLSE-SNVBAGLBSA-N 1 1 286.759 3.105 20 5 CGBDMO COC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116280789 533136350 /nfs/dbraw/zinc/13/63/50/533136350.db2.gz VOQOOUUKCQJWRQ-NSHDSACASA-N 1 1 298.770 3.107 20 5 CGBDMO C[C@@H](CF)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000288563117 197112603 /nfs/dbraw/zinc/11/26/03/197112603.db2.gz YZPOWSYLDFQIDS-JTQLQIEISA-N 1 1 278.283 3.302 20 5 CGBDMO Cc1ncsc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000283085898 195788262 /nfs/dbraw/zinc/78/82/62/195788262.db2.gz RQQHTPGRZLWPFU-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO COc1ccc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000047908996 391991226 /nfs/dbraw/zinc/99/12/26/391991226.db2.gz IHAXLFOIHUJBDH-NSHDSACASA-N 1 1 290.363 3.366 20 5 CGBDMO Cc1c([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361772500 392320219 /nfs/dbraw/zinc/32/02/19/392320219.db2.gz NFQOKFXLVJVZPG-FPMFFAJLSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1c([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361772500 392320221 /nfs/dbraw/zinc/32/02/21/392320221.db2.gz NFQOKFXLVJVZPG-FPMFFAJLSA-N 1 1 291.395 3.037 20 5 CGBDMO C[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505605762 392680101 /nfs/dbraw/zinc/68/01/01/392680101.db2.gz FCWZGTAAEBKSSS-JTQLQIEISA-N 1 1 252.289 3.108 20 5 CGBDMO C[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505605762 392680105 /nfs/dbraw/zinc/68/01/05/392680105.db2.gz FCWZGTAAEBKSSS-JTQLQIEISA-N 1 1 252.289 3.108 20 5 CGBDMO CC(C)[C@H](C)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505636736 392684317 /nfs/dbraw/zinc/68/43/17/392684317.db2.gz MGCJWYBIMJTZEO-JTQLQIEISA-N 1 1 254.305 3.210 20 5 CGBDMO CCC[C@H](C)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509277357 392742156 /nfs/dbraw/zinc/74/21/56/392742156.db2.gz AVVGEUIGFCLVJW-VIFPVBQESA-N 1 1 272.295 3.493 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509277357 392742161 /nfs/dbraw/zinc/74/21/61/392742161.db2.gz AVVGEUIGFCLVJW-VIFPVBQESA-N 1 1 272.295 3.493 20 5 CGBDMO CC(C)[C@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505791768 392697648 /nfs/dbraw/zinc/69/76/48/392697648.db2.gz XIFIEALKVJDFRE-CYBMUJFWSA-N 1 1 266.316 3.354 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H]2CCSC2)C2CC2)c1 ZINC000278425978 393320657 /nfs/dbraw/zinc/32/06/57/393320657.db2.gz JGKWKNGVDRWPQW-CYBMUJFWSA-N 1 1 292.404 3.312 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000356270446 393402562 /nfs/dbraw/zinc/40/25/62/393402562.db2.gz AKMXMFPEHHPZAX-OAHLLOKOSA-N 1 1 272.348 3.359 20 5 CGBDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000475156372 393378898 /nfs/dbraw/zinc/37/88/98/393378898.db2.gz WOEDGADRASHLRR-AGIUHOORSA-N 1 1 262.353 3.461 20 5 CGBDMO C[C@H]1CC[C@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000429554218 393476841 /nfs/dbraw/zinc/47/68/41/393476841.db2.gz ARYBLNAMHDOWQE-JSGCOSHPSA-N 1 1 278.352 3.094 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)CC[C@H]1C ZINC000430234727 393545947 /nfs/dbraw/zinc/54/59/47/393545947.db2.gz BDAWKLUPYGNNKI-NWDGAFQWSA-N 1 1 278.352 3.224 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430210691 393539644 /nfs/dbraw/zinc/53/96/44/393539644.db2.gz VDAHKJDVPNNGOL-NSHDSACASA-N 1 1 266.341 3.224 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CCO)CC1 ZINC000421044224 393586753 /nfs/dbraw/zinc/58/67/53/393586753.db2.gz SBROKNZNCAVUII-KGLIPLIRSA-N 1 1 292.379 3.140 20 5 CGBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000490013410 393625319 /nfs/dbraw/zinc/62/53/19/393625319.db2.gz MERIIWLTGFBXCO-AAEUAGOBSA-N 1 1 278.352 3.224 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c(F)c1 ZINC000449531645 393885325 /nfs/dbraw/zinc/88/53/25/393885325.db2.gz BYIYLSHUHCZUEW-GDBMZVCRSA-N 1 1 290.338 3.354 20 5 CGBDMO C[C@@H]([NH2+][C@H](CN)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423266057 287064601 /nfs/dbraw/zinc/06/46/01/287064601.db2.gz RSRPNZBHMRCHRD-MLGOLLRUSA-N 1 1 291.395 3.153 20 5 CGBDMO COc1ccc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000066531893 165036967 /nfs/dbraw/zinc/03/69/67/165036967.db2.gz BJNGTQMCBFYNLE-TXEJJXNPSA-N 1 1 278.352 3.366 20 5 CGBDMO Cn1c2ccccc2[nH+]c1NCc1ccccc1[N+](=O)[O-] ZINC000079046586 165142156 /nfs/dbraw/zinc/14/21/56/165142156.db2.gz FJQCRTMBOVQBBH-UHFFFAOYSA-N 1 1 282.303 3.094 20 5 CGBDMO CC[C@@H](CSC)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000091099618 165258367 /nfs/dbraw/zinc/25/83/67/165258367.db2.gz KBSFZFLIARYLBR-LBPRGKRZSA-N 1 1 268.382 3.168 20 5 CGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCCCC2)c1 ZINC000092107477 287110423 /nfs/dbraw/zinc/11/04/23/287110423.db2.gz WITFRCRAOMJWNN-UHFFFAOYSA-N 1 1 286.278 3.182 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCc2occc21 ZINC000020204977 171070291 /nfs/dbraw/zinc/07/02/91/171070291.db2.gz DDPDIYFEABDYCK-CYBMUJFWSA-N 1 1 272.304 3.355 20 5 CGBDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc([N+](=O)[O-])cc1 ZINC000021040959 171293433 /nfs/dbraw/zinc/29/34/33/171293433.db2.gz GZVFBNMBVKQULT-ZDUSSCGKSA-N 1 1 277.368 3.271 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000284859738 196146197 /nfs/dbraw/zinc/14/61/97/196146197.db2.gz DCNMLJZFQGSBEG-HOTGVXAUSA-N 1 1 290.363 3.047 20 5 CGBDMO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cnn1C ZINC000037167623 173001252 /nfs/dbraw/zinc/00/12/52/173001252.db2.gz FCRVXPFXKINGAQ-WDEREUQCSA-N 1 1 288.351 3.049 20 5 CGBDMO C[C@@H](NC[C@@H](C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000038028723 174017352 /nfs/dbraw/zinc/01/73/52/174017352.db2.gz PTSWCXWVMDIQSX-ZIAGYGMSSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[C@@H]([NH2+]Cc1cc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000044985958 175284507 /nfs/dbraw/zinc/28/45/07/175284507.db2.gz CZEGJEYCEOWPFY-CQSZACIVSA-N 1 1 275.308 3.132 20 5 CGBDMO Cc1ncsc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000071212681 176084496 /nfs/dbraw/zinc/08/44/96/176084496.db2.gz RFZMCXAMYXYNLB-UHFFFAOYSA-N 1 1 297.767 3.303 20 5 CGBDMO CCN(CC)C[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000045691550 270038903 /nfs/dbraw/zinc/03/89/03/270038903.db2.gz VZVOBGQBHCLZFB-KBPBESRZSA-N 1 1 293.411 3.284 20 5 CGBDMO CC[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000521479357 270101920 /nfs/dbraw/zinc/10/19/20/270101920.db2.gz WVBNEAQWXXMANF-ZDUSSCGKSA-N 1 1 278.352 3.096 20 5 CGBDMO CC(C)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000525308728 270119346 /nfs/dbraw/zinc/11/93/46/270119346.db2.gz VOVDBXZGGWSYTJ-CQSZACIVSA-N 1 1 262.353 3.463 20 5 CGBDMO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000042123169 274205465 /nfs/dbraw/zinc/20/54/65/274205465.db2.gz SYIKWVIAIXLJCH-NSHDSACASA-N 1 1 260.337 3.358 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H]1C ZINC000493312796 274302602 /nfs/dbraw/zinc/30/26/02/274302602.db2.gz ZVTVZAGSCOHCFQ-NXEZZACHSA-N 1 1 268.744 3.479 20 5 CGBDMO C[C@@H]1CC[C@@H]([N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000352420338 274311517 /nfs/dbraw/zinc/31/15/17/274311517.db2.gz BQXMTYQVBZSIAL-NXEZZACHSA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000352420338 274311518 /nfs/dbraw/zinc/31/15/18/274311518.db2.gz BQXMTYQVBZSIAL-NXEZZACHSA-N 1 1 284.306 3.493 20 5 CGBDMO Cc1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000269946454 280875498 /nfs/dbraw/zinc/87/54/98/280875498.db2.gz QIDBIHVVYIAELQ-LBPRGKRZSA-N 1 1 286.335 3.010 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC2(CCO2)CC1 ZINC000554564125 289294388 /nfs/dbraw/zinc/29/43/88/289294388.db2.gz VAIANTZCEXTMKS-UHFFFAOYSA-N 1 1 296.754 3.003 20 5 CGBDMO CCCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000571541387 322301389 /nfs/dbraw/zinc/30/13/89/322301389.db2.gz HPEHZTAQYJOAEU-UHFFFAOYSA-N 1 1 294.399 3.226 20 5 CGBDMO CCC(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774865 521304587 /nfs/dbraw/zinc/30/45/87/521304587.db2.gz XNSTXNLKYCJVQG-UHFFFAOYSA-N 1 1 254.305 3.354 20 5 CGBDMO CO[C@@]1(C)CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000279249752 523807695 /nfs/dbraw/zinc/80/76/95/523807695.db2.gz HAJUOXPINIGOKJ-WFASDCNBSA-N 1 1 278.352 3.157 20 5 CGBDMO CSC[C@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000292802331 525708361 /nfs/dbraw/zinc/70/83/61/525708361.db2.gz NSOSFCUPLVFYGM-AWEZNQCLSA-N 1 1 294.420 3.478 20 5 CGBDMO CC1=CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000436266376 528104301 /nfs/dbraw/zinc/10/43/01/528104301.db2.gz ORLSYPBIVFSNTL-UHFFFAOYSA-N 1 1 276.336 3.016 20 5 CGBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCC1CC1 ZINC000355064867 528573543 /nfs/dbraw/zinc/57/35/43/528573543.db2.gz LRRKXCDRPCLMHJ-UHFFFAOYSA-N 1 1 278.352 3.096 20 5 CGBDMO CC/C=C\CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352681704 528789545 /nfs/dbraw/zinc/78/95/45/528789545.db2.gz YYDGTPHGEVNRQM-ARJAWSKDSA-N 1 1 276.336 3.146 20 5 CGBDMO CC/C=C\CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352681704 528789547 /nfs/dbraw/zinc/78/95/47/528789547.db2.gz YYDGTPHGEVNRQM-ARJAWSKDSA-N 1 1 276.336 3.146 20 5 CGBDMO CCCC[N@@H+](C)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000514172711 535224958 /nfs/dbraw/zinc/22/49/58/535224958.db2.gz RXQAZHJORBIJQF-UHFFFAOYSA-N 1 1 265.357 3.047 20 5 CGBDMO CC(C)C[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746662761 572889102 /nfs/dbraw/zinc/88/91/02/572889102.db2.gz ISRHNCWFHJAZNE-UHFFFAOYSA-N 1 1 256.733 3.336 20 5 CGBDMO CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC(C)C ZINC000051740755 618635200 /nfs/dbraw/zinc/63/52/00/618635200.db2.gz ZFHJJKPBQVCECY-UHFFFAOYSA-N 1 1 254.305 3.212 20 5 CGBDMO C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000235336388 618770488 /nfs/dbraw/zinc/77/04/88/618770488.db2.gz NRVNKOZGEDAIEW-SECBINFHSA-N 1 1 299.168 3.199 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000235336388 618770489 /nfs/dbraw/zinc/77/04/89/618770489.db2.gz NRVNKOZGEDAIEW-SECBINFHSA-N 1 1 299.168 3.199 20 5 CGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(F)F)[N@@H+](C)C1CC1 ZINC000220103340 619093372 /nfs/dbraw/zinc/09/33/72/619093372.db2.gz SBDJURVLMIEGND-VIFPVBQESA-N 1 1 299.321 3.427 20 5 CGBDMO O=[N+]([O-])CC[N@@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000791053311 619434930 /nfs/dbraw/zinc/43/49/30/619434930.db2.gz KRLUNZWHDFBFQU-UHFFFAOYSA-N 1 1 280.343 3.237 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H](CF)C1 ZINC000895546887 619848812 /nfs/dbraw/zinc/84/88/12/619848812.db2.gz XEWHUNGVPMNRFY-IRBQFCFKSA-N 1 1 278.327 3.290 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](CF)C1 ZINC000895572060 619851249 /nfs/dbraw/zinc/85/12/49/619851249.db2.gz DYZHANRUUJEDOZ-GMMCIKNFSA-N 1 1 278.327 3.290 20 5 CGBDMO CC(C)c1[nH+]ccn1CCNc1ccsc1[N+](=O)[O-] ZINC000895988318 619921709 /nfs/dbraw/zinc/92/17/09/619921709.db2.gz BOSQBRKYFUNHJG-UHFFFAOYSA-N 1 1 280.353 3.088 20 5 CGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C/C=C\Cl)c1 ZINC000898435982 620588154 /nfs/dbraw/zinc/58/81/54/620588154.db2.gz OWHNKTPXNFVYKH-RJRFIUFISA-N 1 1 292.669 3.038 20 5 CGBDMO CC[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C1CCCCC1 ZINC000058590735 622937435 /nfs/dbraw/zinc/93/74/35/622937435.db2.gz JOXHFXMDEOSABX-UHFFFAOYSA-N 1 1 280.372 3.020 20 5 CGBDMO CC[C@@H](C)C[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000171951313 623204537 /nfs/dbraw/zinc/20/45/37/623204537.db2.gz IZGJFXIBVAWQDK-SNVBAGLBSA-N 1 1 254.305 3.212 20 5 CGBDMO CC(C)[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000172662993 623268342 /nfs/dbraw/zinc/26/83/42/623268342.db2.gz IQFQOJPIHVTJQY-UHFFFAOYSA-N 1 1 296.342 3.123 20 5 CGBDMO CCC(CC)[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C1CC1 ZINC000918178839 624340207 /nfs/dbraw/zinc/34/02/07/624340207.db2.gz KOBOGWCCIPQBJA-UHFFFAOYSA-N 1 1 280.372 3.019 20 5 CGBDMO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)C1CCC(C(C)(C)C)CC1 ZINC000921046186 624564794 /nfs/dbraw/zinc/56/47/94/624564794.db2.gz KXUSUISUPGAUTK-UHFFFAOYSA-N 1 1 294.399 3.286 20 5 CGBDMO Cc1nn(C[N@H+](C)C2CCCC2)c2cc([N+](=O)[O-])ccc12 ZINC000179543187 624664143 /nfs/dbraw/zinc/66/41/43/624664143.db2.gz OTLSIVVENLJCEF-UHFFFAOYSA-N 1 1 288.351 3.085 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000764485771 627209042 /nfs/dbraw/zinc/20/90/42/627209042.db2.gz ODDSTHBKOZCGAU-LLVKDONJSA-N 1 1 280.755 3.480 20 5 CGBDMO NC(CC1CC1)=[NH+]OCc1ccc([N+](=O)[O-])cc1Cl ZINC000782336858 628639819 /nfs/dbraw/zinc/63/98/19/628639819.db2.gz GVXKRSBYUYSYRO-UHFFFAOYSA-N 1 1 283.715 3.047 20 5 CGBDMO Cc1c(CNc2ccc3c(c2)C[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC000864006627 629726071 /nfs/dbraw/zinc/72/60/71/629726071.db2.gz KYWDUZWKEIMUBV-UHFFFAOYSA-N 1 1 297.358 3.461 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCC[C@@H]2F)cs1 ZINC000865699053 630386741 /nfs/dbraw/zinc/38/67/41/630386741.db2.gz LHRMGKFJAFTOHT-VHSXEESVSA-N 1 1 258.318 3.027 20 5 CGBDMO CC(C)([NH2+]Cc1ccoc1)c1ccccc1[N+](=O)[O-] ZINC000813791353 631460753 /nfs/dbraw/zinc/46/07/53/631460753.db2.gz AHOLFIBVLWYJDY-UHFFFAOYSA-N 1 1 260.293 3.213 20 5 CGBDMO Cc1ccoc1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000814173209 631538190 /nfs/dbraw/zinc/53/81/90/631538190.db2.gz KUVCPDHVKJQCPD-UHFFFAOYSA-N 1 1 280.711 3.439 20 5 CGBDMO CO[C@@H]1CC[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000821391715 632762597 /nfs/dbraw/zinc/76/25/97/632762597.db2.gz PQGVPODLXPSETE-WCQYABFASA-N 1 1 298.770 3.248 20 5 CGBDMO CS[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000824683295 633272615 /nfs/dbraw/zinc/27/26/15/633272615.db2.gz CRKZJDGNKRUPLB-SNVBAGLBSA-N 1 1 286.784 3.186 20 5 CGBDMO CS[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000824683295 633272620 /nfs/dbraw/zinc/27/26/20/633272620.db2.gz CRKZJDGNKRUPLB-SNVBAGLBSA-N 1 1 286.784 3.186 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000122588151 633444003 /nfs/dbraw/zinc/44/40/03/633444003.db2.gz CYHXLXQZYSZQDO-SNVBAGLBSA-N 1 1 295.770 3.144 20 5 CGBDMO Cc1nccnc1[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000872130637 634051888 /nfs/dbraw/zinc/05/18/88/634051888.db2.gz JXNUVLNAVQFYNQ-FZMZJTMJSA-N 1 1 298.346 3.031 20 5 CGBDMO Cc1nnsc1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000930208557 635166335 /nfs/dbraw/zinc/16/63/35/635166335.db2.gz SJVHLBXGARTCFJ-IUCAKERBSA-N 1 1 292.364 3.167 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000877736204 635169932 /nfs/dbraw/zinc/16/99/32/635169932.db2.gz QTPSYMLUNZOHLT-KBPBESRZSA-N 1 1 292.404 3.088 20 5 CGBDMO Cc1nn(C[N@H+](C)[C@H]2CCC[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000841690890 635212369 /nfs/dbraw/zinc/21/23/69/635212369.db2.gz XMVYIQOPOWJBRT-OLZOCXBDSA-N 1 1 294.399 3.204 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000878629096 635579261 /nfs/dbraw/zinc/57/92/61/635579261.db2.gz AWFMBQKAHSYDGO-MRXNPFEDSA-N 1 1 297.358 3.288 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844433824 635899059 /nfs/dbraw/zinc/89/90/59/635899059.db2.gz HXCSZFYEPCMLTR-ZDUSSCGKSA-N 1 1 282.290 3.216 20 5 CGBDMO Cc1nn(C[N@@H+]2CCC[C@@H]2CCC(C)C)c(C)c1[N+](=O)[O-] ZINC000130656796 636490120 /nfs/dbraw/zinc/49/01/20/636490120.db2.gz NCANEUZJWKJHCO-CQSZACIVSA-N 1 1 294.399 3.266 20 5 CGBDMO Cc1ccc([C@H](C)[N@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885955773 637329156 /nfs/dbraw/zinc/32/91/56/637329156.db2.gz AHZDXYCXYNULFL-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1ccc([C@H](C)[N@@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885955773 637329162 /nfs/dbraw/zinc/32/91/62/637329162.db2.gz AHZDXYCXYNULFL-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO CC(C)(C)C[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886238470 637467133 /nfs/dbraw/zinc/46/71/33/637467133.db2.gz AMNYBVTVURZNJW-GFCCVEGCSA-N 1 1 277.368 3.248 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCCF ZINC000887138703 637758149 /nfs/dbraw/zinc/75/81/49/637758149.db2.gz ILSWWQJGAYSAEX-UHFFFAOYSA-N 1 1 284.331 3.173 20 5 CGBDMO C[N@@H+](CCCC(C)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000929164418 638904006 /nfs/dbraw/zinc/90/40/06/638904006.db2.gz HSSNFQCCTOPLJC-UHFFFAOYSA-N 1 1 272.295 3.462 20 5 CGBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)CC[N@H+]1C ZINC000158432848 640005749 /nfs/dbraw/zinc/00/57/49/640005749.db2.gz AUVZPQAAGVOTAA-UWVGGRQHSA-N 1 1 299.321 3.427 20 5 CGBDMO CC[C@@H](C)[N@@H+](Cc1ccccc1)Cn1nccc1[N+](=O)[O-] ZINC000193394360 640455663 /nfs/dbraw/zinc/45/56/63/640455663.db2.gz AHPIWJHOPWVZSX-CYBMUJFWSA-N 1 1 288.351 3.050 20 5 CGBDMO CC[C@@H](C)[N@H+](Cc1ccccc1)Cn1nccc1[N+](=O)[O-] ZINC000193394360 640455667 /nfs/dbraw/zinc/45/56/67/640455667.db2.gz AHPIWJHOPWVZSX-CYBMUJFWSA-N 1 1 288.351 3.050 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccnc1 ZINC001254550277 806447734 /nfs/dbraw/zinc/44/77/34/806447734.db2.gz HCDRLERZSPJRNW-ZDUSSCGKSA-N 1 1 285.347 3.053 20 5 CGBDMO CCO[C@@H]1CCC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254558549 806450008 /nfs/dbraw/zinc/45/00/08/806450008.db2.gz CKMNGXPMDJEFNW-DZGCQCFKSA-N 1 1 292.379 3.027 20 5 CGBDMO CCCC[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)[C@@H](C)CC ZINC000123692607 798995389 /nfs/dbraw/zinc/99/53/89/798995389.db2.gz DJGZNQNDQQKKCK-NSHDSACASA-N 1 1 282.388 3.266 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](C3CC3)C2)ccc1Cl ZINC000400285321 799544503 /nfs/dbraw/zinc/54/45/03/799544503.db2.gz KZZMTGUMCUODBD-GFCCVEGCSA-N 1 1 280.755 3.480 20 5 CGBDMO CCc1[nH+]c(C)cn1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000715114975 800131522 /nfs/dbraw/zinc/13/15/22/800131522.db2.gz IYIGXQUMYLMPLU-UHFFFAOYSA-N 1 1 279.727 3.364 20 5 CGBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccns1 ZINC000715930662 800153724 /nfs/dbraw/zinc/15/37/24/800153724.db2.gz IHHZHWCSEPELNC-UWVGGRQHSA-N 1 1 277.349 3.463 20 5 CGBDMO Cc1coc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000718086855 800211375 /nfs/dbraw/zinc/21/13/75/800211375.db2.gz POMPMSIIUJCYAP-LLVKDONJSA-N 1 1 260.293 3.347 20 5 CGBDMO CCc1[nH+]ccn1CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000719675419 800249340 /nfs/dbraw/zinc/24/93/40/800249340.db2.gz ITUNDDZPYQURQF-UHFFFAOYSA-N 1 1 294.742 3.119 20 5 CGBDMO Cc1[nH+]ccn1CCNc1c(Cl)cc(C)cc1[N+](=O)[O-] ZINC001163933395 806854563 /nfs/dbraw/zinc/85/45/63/806854563.db2.gz SBFHZXDVKDMGFC-UHFFFAOYSA-N 1 1 294.742 3.174 20 5 CGBDMO Cc1c(NCC[C@@H]2CCC[N@H+](C)C2)cc(F)cc1[N+](=O)[O-] ZINC001165279592 806986526 /nfs/dbraw/zinc/98/65/26/806986526.db2.gz WLOMDCKYEGWVCR-LBPRGKRZSA-N 1 1 295.358 3.186 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC001169037729 807555767 /nfs/dbraw/zinc/55/57/67/807555767.db2.gz TWSHPMMZJYIVQW-QPSCCSFWSA-N 1 1 266.385 3.086 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC=C(c3ccccc3)CC2)C1 ZINC001169039926 807557635 /nfs/dbraw/zinc/55/76/35/807557635.db2.gz VXJYWEMIROZTON-PBHICJAKSA-N 1 1 286.375 3.221 20 5 CGBDMO C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)Cc1ccccc1 ZINC001169049146 807558644 /nfs/dbraw/zinc/55/86/44/807558644.db2.gz WAGCHPZGIIBSKD-CVEARBPZSA-N 1 1 290.407 3.385 20 5 CGBDMO C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1CCc2ccccc21 ZINC001169054206 807561653 /nfs/dbraw/zinc/56/16/53/807561653.db2.gz KRSLMVRVEAZAAO-XPKDYRNWSA-N 1 1 274.364 3.051 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCC1(F)F ZINC001173219834 808540433 /nfs/dbraw/zinc/54/04/33/808540433.db2.gz POYMDMOUFPFHCF-GWCFXTLKSA-N 1 1 284.306 3.303 20 5 CGBDMO CCC[N@@H+](CC)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226483 808541359 /nfs/dbraw/zinc/54/13/59/808541359.db2.gz LYYJJCBKRJXVPI-GFCCVEGCSA-N 1 1 250.342 3.258 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C(C)(C)C ZINC001173227635 808541696 /nfs/dbraw/zinc/54/16/96/808541696.db2.gz RNRDCROBGLHASC-LLVKDONJSA-N 1 1 250.342 3.256 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](CC1CC1)C1CC1 ZINC001173230288 808542524 /nfs/dbraw/zinc/54/25/24/808542524.db2.gz DOEDXJUQAFLSIG-LBPRGKRZSA-N 1 1 274.364 3.400 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001173229953 808542992 /nfs/dbraw/zinc/54/29/92/808542992.db2.gz WMJDMQWXWMTKNY-OLZOCXBDSA-N 1 1 262.353 3.258 20 5 CGBDMO Cc1cccc2[nH+]cc(Nc3ccccc3[N+](=O)[O-])n21 ZINC001206158038 813218723 /nfs/dbraw/zinc/21/87/23/813218723.db2.gz PJRXONMSFZEOAB-UHFFFAOYSA-N 1 1 268.276 3.295 20 5 CGBDMO Cc1cccc(CO[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC001223658833 816664171 /nfs/dbraw/zinc/66/41/71/816664171.db2.gz GLYOZJNTRKDHFE-FICVDOATSA-N 1 1 290.363 3.045 20 5 CGBDMO CC[N@H+]1CCC[C@H](Oc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001225790146 817180072 /nfs/dbraw/zinc/18/00/72/817180072.db2.gz ZUOBPRITKJPJOQ-JTQLQIEISA-N 1 1 284.743 3.111 20 5 CGBDMO Cc1cc(C)c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001228229179 817844772 /nfs/dbraw/zinc/84/47/72/817844772.db2.gz FIBSSBRFGOMDGX-WDNDVIMCSA-N 1 1 290.363 3.216 20 5 CGBDMO CCC[N@@H+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])cc1 ZINC001472838173 937112773 /nfs/dbraw/zinc/11/27/73/937112773.db2.gz KWEASEKZOUIVSZ-UHFFFAOYSA-N 1 1 265.357 3.127 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2sccc2[N+](=O)[O-])C1 ZINC001458111199 937451528 /nfs/dbraw/zinc/45/15/28/937451528.db2.gz XPWRQHGURMLOLE-TXEJJXNPSA-N 1 1 297.424 3.436 20 5 CGBDMO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H]1CC1(C)C ZINC001307963428 933026982 /nfs/dbraw/zinc/02/69/82/933026982.db2.gz XSYZSJINVPPZHM-VIFPVBQESA-N 1 1 284.306 3.351 20 5 CGBDMO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H]1CC1(C)C ZINC001307963428 933026984 /nfs/dbraw/zinc/02/69/84/933026984.db2.gz XSYZSJINVPPZHM-VIFPVBQESA-N 1 1 284.306 3.351 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001324061840 934454903 /nfs/dbraw/zinc/45/49/03/934454903.db2.gz UBLNIBWZSKKANJ-WWGRRREGSA-N 1 1 290.363 3.157 20 5 CGBDMO CC[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC001473403107 937805581 /nfs/dbraw/zinc/80/55/81/937805581.db2.gz QSJQWNYCAXIEGQ-QWRGUYRKSA-N 1 1 289.335 3.356 20 5 CGBDMO Cc1cccnc1[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001473880074 937827283 /nfs/dbraw/zinc/82/72/83/937827283.db2.gz QUWHZBDZMZAILB-LBPRGKRZSA-N 1 1 271.320 3.149 20 5 CGBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC001559155394 938221457 /nfs/dbraw/zinc/22/14/57/938221457.db2.gz HKLKYQFMGBLJER-WDEREUQCSA-N 1 1 297.786 3.167 20 5 CGBDMO CC1(C)CCC[C@H]1[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC001559579299 938230203 /nfs/dbraw/zinc/23/02/03/938230203.db2.gz HCOCKYXDCADJOF-OAHLLOKOSA-N 1 1 276.380 3.344 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCO2)c1 ZINC001560224388 938247746 /nfs/dbraw/zinc/24/77/46/938247746.db2.gz WGDPKHMSUIPTGR-HZPDHXFCSA-N 1 1 290.363 3.128 20 5 CGBDMO CC[C@H](C)C[N@@H+](CC)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001560649740 938267891 /nfs/dbraw/zinc/26/78/91/938267891.db2.gz QTTAIIUPYOTLNA-NSHDSACASA-N 1 1 296.367 3.177 20 5 CGBDMO CCCCC[N@@H+](CCO)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001560728656 938272743 /nfs/dbraw/zinc/27/27/43/938272743.db2.gz ASYLVUMFCWGRBL-UHFFFAOYSA-N 1 1 294.395 3.196 20 5 CGBDMO CC[C@H]1COC(C)(C)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000593056408 347033824 /nfs/dbraw/zinc/03/38/24/347033824.db2.gz IAHZXHYLXKLQHW-AWEZNQCLSA-N 1 1 292.379 3.027 20 5 CGBDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])on1 ZINC000047273554 345050112 /nfs/dbraw/zinc/05/01/12/345050112.db2.gz FPSOROUWUKZFRX-AWEZNQCLSA-N 1 1 287.319 3.228 20 5 CGBDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccccc2[N+](=O)[O-])on1 ZINC000047273554 345050115 /nfs/dbraw/zinc/05/01/15/345050115.db2.gz FPSOROUWUKZFRX-AWEZNQCLSA-N 1 1 287.319 3.228 20 5 CGBDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)on1 ZINC000052009675 345095902 /nfs/dbraw/zinc/09/59/02/345095902.db2.gz LYYBQFCSTNCLBD-CQSZACIVSA-N 1 1 287.319 3.228 20 5 CGBDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)on1 ZINC000052009675 345095904 /nfs/dbraw/zinc/09/59/04/345095904.db2.gz LYYBQFCSTNCLBD-CQSZACIVSA-N 1 1 287.319 3.228 20 5 CGBDMO CC1CCC([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000058563846 345196852 /nfs/dbraw/zinc/19/68/52/345196852.db2.gz GUUAABMYFCPGIU-UHFFFAOYSA-N 1 1 292.379 3.484 20 5 CGBDMO CC(C)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000064629192 345262705 /nfs/dbraw/zinc/26/27/05/345262705.db2.gz BEQZGLPHBKXXKV-UHFFFAOYSA-N 1 1 299.374 3.443 20 5 CGBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000064916292 345266782 /nfs/dbraw/zinc/26/67/82/345266782.db2.gz VXNGHEUDAMFXFK-UHFFFAOYSA-N 1 1 285.347 3.139 20 5 CGBDMO CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000065222886 345269772 /nfs/dbraw/zinc/26/97/72/345269772.db2.gz CSNYSGHKRXMHIR-UHFFFAOYSA-N 1 1 278.352 3.096 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cccc(O)c1 ZINC000080920322 345689410 /nfs/dbraw/zinc/68/94/10/345689410.db2.gz YXHLLRXKRLQLKC-LBPRGKRZSA-N 1 1 286.331 3.493 20 5 CGBDMO CSCC[C@H](C)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000126456154 346024624 /nfs/dbraw/zinc/02/46/24/346024624.db2.gz BCMODTRARMHQQD-JTQLQIEISA-N 1 1 286.372 3.307 20 5 CGBDMO CSCC[C@H](C)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000126456154 346024625 /nfs/dbraw/zinc/02/46/25/346024625.db2.gz BCMODTRARMHQQD-JTQLQIEISA-N 1 1 286.372 3.307 20 5 CGBDMO O=[N+]([O-])c1sccc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594601948 347199763 /nfs/dbraw/zinc/19/97/63/347199763.db2.gz PWXOVTMPYACNHR-ZYHUDNBSSA-N 1 1 281.381 3.085 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3ccc(O)cc32)cs1 ZINC000594979844 347247872 /nfs/dbraw/zinc/24/78/72/347247872.db2.gz MEZFQOWRCXODNH-ZDUSSCGKSA-N 1 1 290.344 3.139 20 5 CGBDMO Cc1noc(C[NH2+][C@H](c2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000595292746 347287316 /nfs/dbraw/zinc/28/73/16/347287316.db2.gz VQFJPBFANKCFPB-AWEZNQCLSA-N 1 1 289.335 3.378 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000595303704 347289153 /nfs/dbraw/zinc/28/91/53/347289153.db2.gz BVIHENVQAZNJGT-CYBMUJFWSA-N 1 1 264.300 3.108 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000595306057 347290242 /nfs/dbraw/zinc/29/02/42/347290242.db2.gz GWGOKVWWQMOPBD-CQSZACIVSA-N 1 1 278.327 3.498 20 5 CGBDMO Cc1noc(C[N@@H+]2CCC[C@@H](C(C)C)CC2)c1[N+](=O)[O-] ZINC000595325763 347292135 /nfs/dbraw/zinc/29/21/35/347292135.db2.gz WQJNJYVZVIKCNN-GFCCVEGCSA-N 1 1 281.356 3.149 20 5 CGBDMO CCC[N@@H+]1CC[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000595096820 347282627 /nfs/dbraw/zinc/28/26/27/347282627.db2.gz MLILFRNFSCCVBJ-ZIAGYGMSSA-N 1 1 291.395 3.038 20 5 CGBDMO CCC[N@H+]1CC[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000595096820 347282631 /nfs/dbraw/zinc/28/26/31/347282631.db2.gz MLILFRNFSCCVBJ-ZIAGYGMSSA-N 1 1 291.395 3.038 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CCF)C2)cc1 ZINC000595755546 347350880 /nfs/dbraw/zinc/35/08/80/347350880.db2.gz NTHUUJDXKQGJMM-GFCCVEGCSA-N 1 1 266.316 3.166 20 5 CGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](CCF)C1 ZINC000595757135 347351262 /nfs/dbraw/zinc/35/12/62/347351262.db2.gz ZYJMPAOLTLHCHH-CYBMUJFWSA-N 1 1 296.342 3.045 20 5 CGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595440741 347303697 /nfs/dbraw/zinc/30/36/97/347303697.db2.gz GTBIEDRJKVXHSW-GXFFZTMASA-N 1 1 266.316 3.354 20 5 CGBDMO Cc1noc(C[N@H+]2CCC[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595467233 347307905 /nfs/dbraw/zinc/30/79/05/347307905.db2.gz QLWACSXRCWFAES-NSHDSACASA-N 1 1 281.356 3.149 20 5 CGBDMO CC1=C[C@@H](C)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595471605 347308697 /nfs/dbraw/zinc/30/86/97/347308697.db2.gz BXQNLDZXOGXOHH-SNVBAGLBSA-N 1 1 264.300 3.132 20 5 CGBDMO CC1=C[C@@H](C)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595471605 347308699 /nfs/dbraw/zinc/30/86/99/347308699.db2.gz BXQNLDZXOGXOHH-SNVBAGLBSA-N 1 1 264.300 3.132 20 5 CGBDMO CC(C)[C@H]1CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351845552 219223815 /nfs/dbraw/zinc/22/38/15/219223815.db2.gz TZKSFSSFRPVNFI-CQSZACIVSA-N 1 1 284.306 3.493 20 5 CGBDMO C/C=C\C[C@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000599689268 347765919 /nfs/dbraw/zinc/76/59/19/347765919.db2.gz IKUHWKHVKYJUHP-MVZIDQBPSA-N 1 1 279.340 3.069 20 5 CGBDMO Cc1cc(NC[C@@H]2CCCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000599139358 347720482 /nfs/dbraw/zinc/72/04/82/347720482.db2.gz MZFGBTTUKQYTKU-ZDUSSCGKSA-N 1 1 277.368 3.047 20 5 CGBDMO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000602019767 347933821 /nfs/dbraw/zinc/93/38/21/347933821.db2.gz HUDWZXTUWOJWAF-JSGCOSHPSA-N 1 1 291.395 3.024 20 5 CGBDMO CC(C)[N@H+](Cc1ccns1)Cc1ccc([N+](=O)[O-])cc1 ZINC000602438490 347958170 /nfs/dbraw/zinc/95/81/70/347958170.db2.gz DEKBANNLWZZIEO-UHFFFAOYSA-N 1 1 291.376 3.462 20 5 CGBDMO CC(C)[N@@H+](Cc1ccns1)Cc1ccc([N+](=O)[O-])cc1 ZINC000602438490 347958173 /nfs/dbraw/zinc/95/81/73/347958173.db2.gz DEKBANNLWZZIEO-UHFFFAOYSA-N 1 1 291.376 3.462 20 5 CGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](C)C1CCCCC1 ZINC000602825356 348033995 /nfs/dbraw/zinc/03/39/95/348033995.db2.gz SEPCNYTWBOLKLD-GFCCVEGCSA-N 1 1 294.399 3.000 20 5 CGBDMO CC(C)[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000609767080 348352081 /nfs/dbraw/zinc/35/20/81/348352081.db2.gz MGEMURZLUCVFNR-AWEZNQCLSA-N 1 1 292.379 3.484 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2C2CC2)c(F)c1 ZINC000610476530 348384706 /nfs/dbraw/zinc/38/47/06/348384706.db2.gz FHHNUAZOSMGDDY-AWEZNQCLSA-N 1 1 264.300 3.108 20 5 CGBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000610687113 348396883 /nfs/dbraw/zinc/39/68/83/348396883.db2.gz XAIFYLLFARUOGQ-NSHDSACASA-N 1 1 283.397 3.046 20 5 CGBDMO CC[N@@H+](C[C@@H]1CCOC1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000611515327 348458244 /nfs/dbraw/zinc/45/82/44/348458244.db2.gz JGQQXQJDRAHFTG-KGLIPLIRSA-N 1 1 292.379 3.323 20 5 CGBDMO CO[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000611941924 348482197 /nfs/dbraw/zinc/48/21/97/348482197.db2.gz FCGUOEMCDVHKLB-CHWSQXEVSA-N 1 1 278.352 3.157 20 5 CGBDMO COc1cc(C[N@H+](C)Cc2ccoc2C)ccc1[N+](=O)[O-] ZINC000351978442 219273042 /nfs/dbraw/zinc/27/30/42/219273042.db2.gz SXFYUFVNJKDCQB-UHFFFAOYSA-N 1 1 290.319 3.137 20 5 CGBDMO COc1cc(C[N@@H+](C)Cc2ccoc2C)ccc1[N+](=O)[O-] ZINC000351978442 219273044 /nfs/dbraw/zinc/27/30/44/219273044.db2.gz SXFYUFVNJKDCQB-UHFFFAOYSA-N 1 1 290.319 3.137 20 5 CGBDMO Cc1cccnc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292268711 198225205 /nfs/dbraw/zinc/22/52/05/198225205.db2.gz ZHOJROSLKUWBPA-UHFFFAOYSA-N 1 1 285.347 3.323 20 5 CGBDMO CC[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000152662082 188035897 /nfs/dbraw/zinc/03/58/97/188035897.db2.gz BSHJEDMFAUVAAX-CQSZACIVSA-N 1 1 291.376 3.466 20 5 CGBDMO CCOCC[N@@H+](CC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000157559008 188325237 /nfs/dbraw/zinc/32/52/37/188325237.db2.gz JFTOTFPFTNCTGC-LBPRGKRZSA-N 1 1 266.341 3.014 20 5 CGBDMO Cc1ccc(C[NH2+]Cc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000105496298 138352346 /nfs/dbraw/zinc/35/23/46/138352346.db2.gz NFLFEWVUGYMHCS-UHFFFAOYSA-N 1 1 292.285 3.471 20 5 CGBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000301517952 201040848 /nfs/dbraw/zinc/04/08/48/201040848.db2.gz DGYPEZQSPQDBHA-CQSZACIVSA-N 1 1 277.368 3.190 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000182771529 189334108 /nfs/dbraw/zinc/33/41/08/189334108.db2.gz ACUQHHBQUZXZGH-KBPBESRZSA-N 1 1 292.379 3.323 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC1CCOCC1 ZINC000182996675 189342248 /nfs/dbraw/zinc/34/22/48/189342248.db2.gz ZENWBEDBHXUAAK-ZDUSSCGKSA-N 1 1 292.379 3.323 20 5 CGBDMO CCO[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451541163 240322485 /nfs/dbraw/zinc/32/24/85/240322485.db2.gz LOSGCJCGFCCAQV-HEHGZKQESA-N 1 1 292.379 3.403 20 5 CGBDMO CO[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000275882580 193155094 /nfs/dbraw/zinc/15/50/94/193155094.db2.gz QOSHPMCOWWTVIH-TYNCELHUSA-N 1 1 278.352 3.013 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000129501428 370989868 /nfs/dbraw/zinc/98/98/68/370989868.db2.gz FASFGGDGEBYPKY-MRXNPFEDSA-N 1 1 292.379 3.065 20 5 CGBDMO Cc1ccc(C[NH2+]C(C)(C)c2nccs2)cc1[N+](=O)[O-] ZINC000116381244 370558356 /nfs/dbraw/zinc/55/83/56/370558356.db2.gz ZCQBKEGFNFKNGW-UHFFFAOYSA-N 1 1 291.376 3.385 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ncc[nH]2)cc1[N+](=O)[O-] ZINC000139028970 371506236 /nfs/dbraw/zinc/50/62/36/371506236.db2.gz GNDLIFBAONYGRM-QWRGUYRKSA-N 1 1 274.324 3.038 20 5 CGBDMO CCC[C@@H](NC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423220306 372039626 /nfs/dbraw/zinc/03/96/26/372039626.db2.gz XZBVGMMVVLPLOX-CZUORRHYSA-N 1 1 291.395 3.025 20 5 CGBDMO CC[C@H]1CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429281520 372335712 /nfs/dbraw/zinc/33/57/12/372335712.db2.gz COPFVVMMJXCRER-NSHDSACASA-N 1 1 254.717 3.233 20 5 CGBDMO CC[C@H]1CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429281520 372335717 /nfs/dbraw/zinc/33/57/17/372335717.db2.gz COPFVVMMJXCRER-NSHDSACASA-N 1 1 254.717 3.233 20 5 CGBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163287017 372460248 /nfs/dbraw/zinc/46/02/48/372460248.db2.gz UEHKLRQONREITL-VIFPVBQESA-N 1 1 268.744 3.479 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295497937 372803356 /nfs/dbraw/zinc/80/33/56/372803356.db2.gz NQSMOQXOGZBUPW-QWHCGFSZSA-N 1 1 292.379 3.139 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cccc(O)c2)C2CC2)c1 ZINC000171928266 372855207 /nfs/dbraw/zinc/85/52/07/372855207.db2.gz UQHUEQJSCUQPJQ-UHFFFAOYSA-N 1 1 298.342 3.465 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+](Cc2cccc(O)c2)C2CC2)c1 ZINC000171928266 372855215 /nfs/dbraw/zinc/85/52/15/372855215.db2.gz UQHUEQJSCUQPJQ-UHFFFAOYSA-N 1 1 298.342 3.465 20 5 CGBDMO COc1ccc(C[N@H+]2CCCC23CCC3)cc1[N+](=O)[O-] ZINC000444776474 373272305 /nfs/dbraw/zinc/27/23/05/373272305.db2.gz CGKXVUACSOYKDA-UHFFFAOYSA-N 1 1 276.336 3.122 20 5 CGBDMO Cc1cc(NCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000301108335 373663117 /nfs/dbraw/zinc/66/31/17/373663117.db2.gz QMJFKFJLVPDDLK-CYBMUJFWSA-N 1 1 277.368 3.190 20 5 CGBDMO CS[C@H]1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000449445158 373722607 /nfs/dbraw/zinc/72/26/07/373722607.db2.gz HEHMEBHCMKBTTN-PINLSGDHSA-N 1 1 292.404 3.435 20 5 CGBDMO COC[C@@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449761541 373890234 /nfs/dbraw/zinc/89/02/34/373890234.db2.gz YMGXDKGPZQRIGC-LYASGUKUSA-N 1 1 290.363 3.109 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCc1cccnc1)C1CC1 ZINC000179241321 373848867 /nfs/dbraw/zinc/84/88/67/373848867.db2.gz RGGPNLCZOQZFBD-UHFFFAOYSA-N 1 1 297.358 3.197 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000305842843 374119200 /nfs/dbraw/zinc/11/92/00/374119200.db2.gz RQDLPMYGDDOAJR-BFHYXJOUSA-N 1 1 292.379 3.057 20 5 CGBDMO CCOCC[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000181489444 374131489 /nfs/dbraw/zinc/13/14/89/374131489.db2.gz LGHUURMHLAOHSI-UHFFFAOYSA-N 1 1 280.368 3.187 20 5 CGBDMO CC1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000313508796 374302175 /nfs/dbraw/zinc/30/21/75/374302175.db2.gz LRIFQONWGGBVQX-UHFFFAOYSA-N 1 1 298.383 3.451 20 5 CGBDMO C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000453380414 374464934 /nfs/dbraw/zinc/46/49/34/374464934.db2.gz ZLGLADKJDSGYAD-SNVBAGLBSA-N 1 1 287.319 3.311 20 5 CGBDMO CCCc1ncc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000453360361 374447901 /nfs/dbraw/zinc/44/79/01/374447901.db2.gz FGTCNYUIOHYYIR-LLVKDONJSA-N 1 1 289.335 3.386 20 5 CGBDMO CCOc1cc(C[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000331161070 374510402 /nfs/dbraw/zinc/51/04/02/374510402.db2.gz LBDIGSMVPISYPJ-GFCCVEGCSA-N 1 1 278.352 3.368 20 5 CGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331544961 374540993 /nfs/dbraw/zinc/54/09/93/374540993.db2.gz SOPHVQSQQZYUBU-GHMZBOCLSA-N 1 1 288.351 3.092 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000465051029 374929945 /nfs/dbraw/zinc/92/99/45/374929945.db2.gz OEXUENQZLGLGPR-AWEZNQCLSA-N 1 1 291.395 3.293 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CC[C@@H]1CCCO1)C1CC1 ZINC000189731850 375440150 /nfs/dbraw/zinc/44/01/50/375440150.db2.gz ZUWNRSLWWRNYLL-HNNXBMFYSA-N 1 1 290.363 3.128 20 5 CGBDMO CCC1(CC)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000190411513 375505959 /nfs/dbraw/zinc/50/59/59/375505959.db2.gz KJNRPWGLBVHTSV-UHFFFAOYSA-N 1 1 294.399 3.084 20 5 CGBDMO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OCC)C1CC1 ZINC000507233678 375691343 /nfs/dbraw/zinc/69/13/43/375691343.db2.gz QQNPAYAIMNDAKS-UHFFFAOYSA-N 1 1 278.352 3.368 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000336809761 375961853 /nfs/dbraw/zinc/96/18/53/375961853.db2.gz GGMBEXWOYPGUGT-LLVKDONJSA-N 1 1 266.316 3.356 20 5 CGBDMO C=Cn1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000193701982 375912991 /nfs/dbraw/zinc/91/29/91/375912991.db2.gz GGSJHBLGUDRXNH-UHFFFAOYSA-N 1 1 298.346 3.056 20 5 CGBDMO C=Cn1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000193701982 375912997 /nfs/dbraw/zinc/91/29/97/375912997.db2.gz GGSJHBLGUDRXNH-UHFFFAOYSA-N 1 1 298.346 3.056 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)C[C@H]1C ZINC000536682448 376120919 /nfs/dbraw/zinc/12/09/19/376120919.db2.gz PLABYGUNDSFHKX-NWDGAFQWSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC000540327666 376370689 /nfs/dbraw/zinc/37/06/89/376370689.db2.gz QGVWZQOPUZMNTI-NSHDSACASA-N 1 1 296.330 3.322 20 5 CGBDMO Cc1ccc(NCCC[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000229325623 376461830 /nfs/dbraw/zinc/46/18/30/376461830.db2.gz QWFWDBKWMUTPDQ-UHFFFAOYSA-N 1 1 265.357 3.045 20 5 CGBDMO C[C@@H]([N@@H+](C)CCOc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000177216601 249053252 /nfs/dbraw/zinc/05/32/52/249053252.db2.gz AKJIOWVVXIHMTO-GFCCVEGCSA-N 1 1 278.352 3.094 20 5 CGBDMO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000252443466 377622230 /nfs/dbraw/zinc/62/22/30/377622230.db2.gz ZIUXBIXWDROZNT-YWPYICTPSA-N 1 1 278.352 3.155 20 5 CGBDMO CC[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000252443466 377622234 /nfs/dbraw/zinc/62/22/34/377622234.db2.gz ZIUXBIXWDROZNT-YWPYICTPSA-N 1 1 278.352 3.155 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)C1 ZINC000261469561 377813781 /nfs/dbraw/zinc/81/37/81/377813781.db2.gz UDMIRIKZHBTJTC-GFCCVEGCSA-N 1 1 278.352 3.224 20 5 CGBDMO CC(C)(C)[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269651724 378249017 /nfs/dbraw/zinc/24/90/17/378249017.db2.gz MOEZQFIUOHDSCS-GJZGRUSLSA-N 1 1 292.379 3.139 20 5 CGBDMO CCC(CC)[N@@H+](CC)CCOc1ccccc1[N+](=O)[O-] ZINC000580738339 378254388 /nfs/dbraw/zinc/25/43/88/378254388.db2.gz IHEIXFYFQCXZJG-UHFFFAOYSA-N 1 1 280.368 3.484 20 5 CGBDMO CC[N@@H+](C[C@@H]1CCCO1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000270743613 378394749 /nfs/dbraw/zinc/39/47/49/378394749.db2.gz RCXYYKYRJKPDSO-DOMZBBRYSA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1c(C[N@@H+]2CCOCC23CCCC3)cccc1[N+](=O)[O-] ZINC000270712058 378391776 /nfs/dbraw/zinc/39/17/76/378391776.db2.gz ZUXKXUIUHIVSTF-UHFFFAOYSA-N 1 1 290.363 3.048 20 5 CGBDMO Cc1c(C[N@H+]2CCOCC23CCCC3)cccc1[N+](=O)[O-] ZINC000270712058 378391779 /nfs/dbraw/zinc/39/17/79/378391779.db2.gz ZUXKXUIUHIVSTF-UHFFFAOYSA-N 1 1 290.363 3.048 20 5 CGBDMO Cc1[nH+]ccn1CCCOc1cc(Cl)ccc1[N+](=O)[O-] ZINC000271205736 378483546 /nfs/dbraw/zinc/48/35/46/378483546.db2.gz KFWHDTWVISZABL-UHFFFAOYSA-N 1 1 295.726 3.222 20 5 CGBDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000348235122 378855024 /nfs/dbraw/zinc/85/50/24/378855024.db2.gz BPQNRIWRUDSKNU-BXKDBHETSA-N 1 1 288.269 3.368 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000346961262 218071387 /nfs/dbraw/zinc/07/13/87/218071387.db2.gz FSGZGPPTAGEKAD-INIZCTEOSA-N 1 1 283.331 3.327 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000346961262 218071389 /nfs/dbraw/zinc/07/13/89/218071389.db2.gz FSGZGPPTAGEKAD-INIZCTEOSA-N 1 1 283.331 3.327 20 5 CGBDMO C[N@H+](C/C=C/c1ccncc1)CCc1ccccc1[N+](=O)[O-] ZINC000348675042 379014199 /nfs/dbraw/zinc/01/41/99/379014199.db2.gz PLOTVQUFDWVBFV-SNAWJCMRSA-N 1 1 297.358 3.178 20 5 CGBDMO C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000349411580 379273052 /nfs/dbraw/zinc/27/30/52/379273052.db2.gz KYHDCWXYLMCKBH-QMTHXVAHSA-N 1 1 292.360 3.041 20 5 CGBDMO CO[C@@]1(C)CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000279628690 379476465 /nfs/dbraw/zinc/47/64/65/379476465.db2.gz HPTDHONSAYEASS-WHWKNOJMSA-N 1 1 290.363 3.109 20 5 CGBDMO COc1cc(C[N@@H+](C)CC2CCCC2)ccc1[N+](=O)[O-] ZINC000352417491 379806789 /nfs/dbraw/zinc/80/67/89/379806789.db2.gz PVVYSROERMDUNW-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352545640 379853512 /nfs/dbraw/zinc/85/35/12/379853512.db2.gz KVIKYDHOOYUTPN-HNNXBMFYSA-N 1 1 278.352 3.225 20 5 CGBDMO C[C@H](C1CC1)[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000352694254 379912605 /nfs/dbraw/zinc/91/26/05/379912605.db2.gz VGVYKQRAWVQSQT-SNVBAGLBSA-N 1 1 278.327 3.497 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000352611623 379876838 /nfs/dbraw/zinc/87/68/38/379876838.db2.gz IWUOISCEDIBIMS-JTQLQIEISA-N 1 1 266.316 3.354 20 5 CGBDMO Cc1ccc(N[C@@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000388809239 379889141 /nfs/dbraw/zinc/88/91/41/379889141.db2.gz QEJBRBRIRTXZDF-LBPRGKRZSA-N 1 1 265.357 3.044 20 5 CGBDMO CC[N@@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000267882010 190360519 /nfs/dbraw/zinc/36/05/19/190360519.db2.gz OUHHIEIBEPXWIL-UHFFFAOYSA-N 1 1 271.320 3.012 20 5 CGBDMO Cc1ccnc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000286159725 380169123 /nfs/dbraw/zinc/16/91/23/380169123.db2.gz PTYSRWAVLDJTHF-GFCCVEGCSA-N 1 1 271.320 3.149 20 5 CGBDMO CCC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000353985877 380265081 /nfs/dbraw/zinc/26/50/81/380265081.db2.gz FNTPATXWSGMPGU-XJKSGUPXSA-N 1 1 291.395 3.120 20 5 CGBDMO CCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000353985877 380265086 /nfs/dbraw/zinc/26/50/86/380265086.db2.gz FNTPATXWSGMPGU-XJKSGUPXSA-N 1 1 291.395 3.120 20 5 CGBDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000366272588 533026671 /nfs/dbraw/zinc/02/66/71/533026671.db2.gz QTTHHWGFWYYCBB-INIZCTEOSA-N 1 1 292.379 3.294 20 5 CGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000350350854 219009587 /nfs/dbraw/zinc/00/95/87/219009587.db2.gz GYUBLEGEUUPZKZ-SOFGYWHQSA-N 1 1 283.331 3.135 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H]2CCCCO2)C2CC2)c1 ZINC000153282889 285153272 /nfs/dbraw/zinc/15/32/72/285153272.db2.gz RAXZPFDKZVCXTG-MRXNPFEDSA-N 1 1 290.363 3.128 20 5 CGBDMO Cc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000051575036 392070122 /nfs/dbraw/zinc/07/01/22/392070122.db2.gz RKXKAXYIKYBEER-LBPRGKRZSA-N 1 1 271.320 3.149 20 5 CGBDMO C[N@@H+](CCc1ccccc1F)Cc1ccccc1[N+](=O)[O-] ZINC000068862702 392168402 /nfs/dbraw/zinc/16/84/02/392168402.db2.gz JRZNPYLJJHFHKM-UHFFFAOYSA-N 1 1 288.322 3.408 20 5 CGBDMO CCCO[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000108391665 392342327 /nfs/dbraw/zinc/34/23/27/392342327.db2.gz GPTFSTXFPXVGLT-ZDUSSCGKSA-N 1 1 298.408 3.437 20 5 CGBDMO CCCC[N@H+](CC)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509846508 392774495 /nfs/dbraw/zinc/77/44/95/392774495.db2.gz OHILOKCPVMQSRA-UHFFFAOYSA-N 1 1 272.295 3.495 20 5 CGBDMO CCCC[N@@H+](CC)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509846508 392774505 /nfs/dbraw/zinc/77/45/05/392774505.db2.gz OHILOKCPVMQSRA-UHFFFAOYSA-N 1 1 272.295 3.495 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC2(CC2)C1 ZINC000186611045 392784614 /nfs/dbraw/zinc/78/46/14/392784614.db2.gz WYDFMQSOIXHRNO-UHFFFAOYSA-N 1 1 290.363 3.370 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC2(CC2)C1 ZINC000186611045 392784619 /nfs/dbraw/zinc/78/46/19/392784619.db2.gz WYDFMQSOIXHRNO-UHFFFAOYSA-N 1 1 290.363 3.370 20 5 CGBDMO CC/C=C/CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511112183 392828294 /nfs/dbraw/zinc/82/82/94/392828294.db2.gz XWMSFXRTKPAZDB-SNAWJCMRSA-N 1 1 262.353 3.425 20 5 CGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000466910187 393067431 /nfs/dbraw/zinc/06/74/31/393067431.db2.gz DMEQMUUCCULYCT-OCCSQVGLSA-N 1 1 262.353 3.258 20 5 CGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000466935587 393075295 /nfs/dbraw/zinc/07/52/95/393075295.db2.gz KOKDDOQQGLHIJG-OLZOCXBDSA-N 1 1 278.352 3.094 20 5 CGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000255774200 393133175 /nfs/dbraw/zinc/13/31/75/393133175.db2.gz OSCXCSPUSTYQQV-AGLBCWCQSA-N 1 1 278.377 3.045 20 5 CGBDMO CC[C@@H]1CC[N@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000430185102 393533037 /nfs/dbraw/zinc/53/30/37/393533037.db2.gz CGXIQMYXQQBTFZ-FWLQQBITSA-N 1 1 260.337 3.482 20 5 CGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430199447 393538432 /nfs/dbraw/zinc/53/84/32/393538432.db2.gz BTILUBZOXGPUKI-FZMZJTMJSA-N 1 1 278.352 3.224 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000430284854 393557898 /nfs/dbraw/zinc/55/78/98/393557898.db2.gz POJDIKZABKEXKL-LLVKDONJSA-N 1 1 276.336 3.001 20 5 CGBDMO COc1cc(C[N@@H+](C)C2(C)CCCC2)ccc1[N+](=O)[O-] ZINC000489863850 393617552 /nfs/dbraw/zinc/61/75/52/393617552.db2.gz SXRMQJXPDRHLLI-UHFFFAOYSA-N 1 1 278.352 3.368 20 5 CGBDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000360947819 393621897 /nfs/dbraw/zinc/62/18/97/393621897.db2.gz XVBCTCSXMNXBAX-VIFPVBQESA-N 1 1 295.726 3.119 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C(C1CC1)C1CC1 ZINC000491138578 393667922 /nfs/dbraw/zinc/66/79/22/393667922.db2.gz PGESIBIQFDYYIJ-UHFFFAOYSA-N 1 1 278.327 3.354 20 5 CGBDMO CCOc1cc(C[N@@H+](CC)CC(C)C)ccc1[N+](=O)[O-] ZINC000492375661 393725119 /nfs/dbraw/zinc/72/51/19/393725119.db2.gz JOLBGOPQBABUTP-UHFFFAOYSA-N 1 1 280.368 3.471 20 5 CGBDMO CC(C)(C)CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000518445117 397710689 /nfs/dbraw/zinc/71/06/89/397710689.db2.gz ANGKYCPZRQOYQN-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C(C)C)C1CCC1 ZINC000119795256 286383712 /nfs/dbraw/zinc/38/37/12/286383712.db2.gz PFQAUSRCCAPBBB-UHFFFAOYSA-N 1 1 278.352 3.366 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCC1 ZINC000075842550 165106317 /nfs/dbraw/zinc/10/63/17/165106317.db2.gz ZXWNDAWOBRZKOO-UHFFFAOYSA-N 1 1 278.352 3.366 20 5 CGBDMO Cc1ccc(C[N@@H+]2CC[C@H](OCC(C)C)C2)cc1[N+](=O)[O-] ZINC000091964265 165280580 /nfs/dbraw/zinc/28/05/80/165280580.db2.gz AAAUDNKWKGTGAT-HNNXBMFYSA-N 1 1 292.379 3.150 20 5 CGBDMO Cc1ccc(C[N@@H+](C)CCc2nccs2)cc1[N+](=O)[O-] ZINC000093843845 165337957 /nfs/dbraw/zinc/33/79/57/165337957.db2.gz GJPFIIVNFJTKGO-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO O=[N+]([O-])c1cccc(CNc2cc[nH+]cc2Cl)c1 ZINC000094267005 165346161 /nfs/dbraw/zinc/34/61/61/165346161.db2.gz DAMWPEVTPRMWOT-UHFFFAOYSA-N 1 1 263.684 3.255 20 5 CGBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000114562418 287151856 /nfs/dbraw/zinc/15/18/56/287151856.db2.gz NBCUJJYADRKANW-UHFFFAOYSA-N 1 1 250.342 3.115 20 5 CGBDMO Cc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)on1 ZINC000125586248 287247223 /nfs/dbraw/zinc/24/72/23/287247223.db2.gz WPZGYOVJZIGTKS-LLVKDONJSA-N 1 1 275.308 3.050 20 5 CGBDMO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1CC1 ZINC000125631299 287247987 /nfs/dbraw/zinc/24/79/87/287247987.db2.gz DQYVNFZXDRUSMQ-FNORWQNLSA-N 1 1 260.337 3.340 20 5 CGBDMO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000126085234 287257064 /nfs/dbraw/zinc/25/70/64/287257064.db2.gz HHSHXQWAPPPYRA-GFCCVEGCSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000126085234 287257066 /nfs/dbraw/zinc/25/70/66/287257066.db2.gz HHSHXQWAPPPYRA-GFCCVEGCSA-N 1 1 271.320 3.183 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)cc1 ZINC000530756399 270202725 /nfs/dbraw/zinc/20/27/25/270202725.db2.gz FAQBUTWOZYWIKI-QGZVFWFLSA-N 1 1 282.343 3.412 20 5 CGBDMO CCC[N@H+]1CCC[C@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000353972756 276012205 /nfs/dbraw/zinc/01/22/05/276012205.db2.gz ORIMDBWAMHIJAS-CJNGLKHVSA-N 1 1 291.395 3.120 20 5 CGBDMO CCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000353972756 276012206 /nfs/dbraw/zinc/01/22/06/276012206.db2.gz ORIMDBWAMHIJAS-CJNGLKHVSA-N 1 1 291.395 3.120 20 5 CGBDMO Cc1ccccc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352620599 281343004 /nfs/dbraw/zinc/34/30/04/281343004.db2.gz GGIJLBSUKSOIJA-UHFFFAOYSA-N 1 1 298.342 3.298 20 5 CGBDMO Cc1ccccc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352620599 281343006 /nfs/dbraw/zinc/34/30/06/281343006.db2.gz GGIJLBSUKSOIJA-UHFFFAOYSA-N 1 1 298.342 3.298 20 5 CGBDMO CC(C)O[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000571320899 322295755 /nfs/dbraw/zinc/29/57/55/322295755.db2.gz WOKLTICDXKXIRT-CYBMUJFWSA-N 1 1 298.770 3.248 20 5 CGBDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000571320899 322295756 /nfs/dbraw/zinc/29/57/56/322295756.db2.gz WOKLTICDXKXIRT-CYBMUJFWSA-N 1 1 298.770 3.248 20 5 CGBDMO COCC[N@@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000077408624 523618634 /nfs/dbraw/zinc/61/86/34/523618634.db2.gz KJLVUDDGAJUSFY-UHFFFAOYSA-N 1 1 297.354 3.024 20 5 CGBDMO Cc1ncc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)o1 ZINC000414165535 534742868 /nfs/dbraw/zinc/74/28/68/534742868.db2.gz CIEDSMRNVVWGOH-OAHLLOKOSA-N 1 1 287.319 3.058 20 5 CGBDMO Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000161733954 524604602 /nfs/dbraw/zinc/60/46/02/524604602.db2.gz IZGCFADPYDYKDD-GFCCVEGCSA-N 1 1 271.320 3.149 20 5 CGBDMO CC1=C[C@H](C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430264908 528141037 /nfs/dbraw/zinc/14/10/37/528141037.db2.gz CAVIJSIHXSDKSG-JTQLQIEISA-N 1 1 287.319 3.134 20 5 CGBDMO CC1=C[C@H](C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430264908 528141042 /nfs/dbraw/zinc/14/10/42/528141042.db2.gz CAVIJSIHXSDKSG-JTQLQIEISA-N 1 1 287.319 3.134 20 5 CGBDMO CC[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423334626 529177598 /nfs/dbraw/zinc/17/75/98/529177598.db2.gz QWQHCPYEEFQAEN-CVEARBPZSA-N 1 1 291.395 3.025 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000160128683 529343785 /nfs/dbraw/zinc/34/37/85/529343785.db2.gz OXDJPPPYSQBTPX-CJNGLKHVSA-N 1 1 293.411 3.366 20 5 CGBDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000160128683 529343786 /nfs/dbraw/zinc/34/37/86/529343786.db2.gz OXDJPPPYSQBTPX-CJNGLKHVSA-N 1 1 293.411 3.366 20 5 CGBDMO NC(CC1CC1)=[NH+]OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000742364444 572566244 /nfs/dbraw/zinc/56/62/44/572566244.db2.gz FADHEFMNATVVBT-UHFFFAOYSA-N 1 1 283.715 3.047 20 5 CGBDMO CO[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1C ZINC000221129766 620234582 /nfs/dbraw/zinc/23/45/82/620234582.db2.gz PRFQERPSQYLEMT-IINYFYTJSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1C ZINC000221129766 620234586 /nfs/dbraw/zinc/23/45/86/620234586.db2.gz PRFQERPSQYLEMT-IINYFYTJSA-N 1 1 298.770 3.105 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccc(F)nc2)c1 ZINC000778178083 628331739 /nfs/dbraw/zinc/33/17/39/628331739.db2.gz YGVGUIPVKXXZCG-UHFFFAOYSA-N 1 1 295.701 3.072 20 5 CGBDMO C[C@@]1(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCCS1 ZINC000862247144 629329565 /nfs/dbraw/zinc/32/95/65/629329565.db2.gz XBYCNPZCNSKTTE-HNNXBMFYSA-N 1 1 292.404 3.239 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000792865478 629388086 /nfs/dbraw/zinc/38/80/86/629388086.db2.gz BYTPHBPJYDMACV-MNOVXSKESA-N 1 1 293.323 3.123 20 5 CGBDMO Cc1nn(C[N@H+]2CCC[C@H](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000794704812 629569307 /nfs/dbraw/zinc/56/93/07/629569307.db2.gz HBLOCMRYDUEGLM-ZDUSSCGKSA-N 1 1 294.399 3.124 20 5 CGBDMO C[N@@H+](CCC(=O)C(C)(C)C)CCc1ccccc1[N+](=O)[O-] ZINC000796111539 629745076 /nfs/dbraw/zinc/74/50/76/629745076.db2.gz GRDGANKUOUJMBD-UHFFFAOYSA-N 1 1 292.379 3.074 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000804442524 630527295 /nfs/dbraw/zinc/52/72/95/630527295.db2.gz ZLVPCOWTLWQUNK-LBPRGKRZSA-N 1 1 295.770 3.144 20 5 CGBDMO CCCCOCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872028044 633947345 /nfs/dbraw/zinc/94/73/45/633947345.db2.gz HQUFWWTYDJDQFG-LLVKDONJSA-N 1 1 284.331 3.201 20 5 CGBDMO Cc1nccnc1[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000872130636 634052567 /nfs/dbraw/zinc/05/25/67/634052567.db2.gz JXNUVLNAVQFYNQ-BXUZGUMPSA-N 1 1 298.346 3.031 20 5 CGBDMO COC[C@@]1(C)CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877558765 635091169 /nfs/dbraw/zinc/09/11/69/635091169.db2.gz NAODDLRLLZISJX-INIZCTEOSA-N 1 1 292.379 3.070 20 5 CGBDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000877814788 635222731 /nfs/dbraw/zinc/22/27/31/635222731.db2.gz WOLWJTSVHCZNBT-GFCCVEGCSA-N 1 1 288.269 3.369 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000844359293 635880055 /nfs/dbraw/zinc/88/00/55/635880055.db2.gz IJPDFTOLIHUJGR-UHFFFAOYSA-N 1 1 291.307 3.022 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000844359293 635880058 /nfs/dbraw/zinc/88/00/58/635880058.db2.gz IJPDFTOLIHUJGR-UHFFFAOYSA-N 1 1 291.307 3.022 20 5 CGBDMO CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000844405243 635891592 /nfs/dbraw/zinc/89/15/92/635891592.db2.gz UVNJHFBXQSHNLI-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844436016 635900157 /nfs/dbraw/zinc/90/01/57/635900157.db2.gz PDQDOECGOLOONU-ZDUSSCGKSA-N 1 1 282.290 3.216 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CF)C1 ZINC000880235650 635947510 /nfs/dbraw/zinc/94/75/10/635947510.db2.gz RBNDAEGRQTZXOU-VXGBXAGGSA-N 1 1 266.316 3.337 20 5 CGBDMO CC[N@H+](Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000885931384 637318838 /nfs/dbraw/zinc/31/88/38/637318838.db2.gz SXSSZHWBIDLHLR-UHFFFAOYSA-N 1 1 271.320 3.012 20 5 CGBDMO CC[N@@H+](Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000885931384 637318842 /nfs/dbraw/zinc/31/88/42/637318842.db2.gz SXSSZHWBIDLHLR-UHFFFAOYSA-N 1 1 271.320 3.012 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cc(C2CC2)no1 ZINC000886684537 637649885 /nfs/dbraw/zinc/64/98/85/637649885.db2.gz NIEIUEXVVODLOJ-CQSZACIVSA-N 1 1 299.330 3.237 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCCF ZINC000887141529 637758739 /nfs/dbraw/zinc/75/87/39/637758739.db2.gz XVYRJBIHWULUHA-NSHDSACASA-N 1 1 254.305 3.256 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+](C2CC2)C2CC2)c1 ZINC000859624000 639176187 /nfs/dbraw/zinc/17/61/87/639176187.db2.gz XDQRPIDREMSAPI-UHFFFAOYSA-N 1 1 266.728 3.375 20 5 CGBDMO C[C@@]1([NH2+]Cc2ccccc2[N+](=O)[O-])CCOc2ccccc21 ZINC000933365129 639440426 /nfs/dbraw/zinc/44/04/26/639440426.db2.gz QSOQYPAIKDQKTK-QGZVFWFLSA-N 1 1 298.342 3.382 20 5 CGBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC1CCOCC1 ZINC000155925083 639958013 /nfs/dbraw/zinc/95/80/13/639958013.db2.gz LLNKBYNZUNZERG-UHFFFAOYSA-N 1 1 298.770 3.107 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774131 640802240 /nfs/dbraw/zinc/80/22/40/640802240.db2.gz VOOVVFXYMGEENL-PHIMTYICSA-N 1 1 266.316 3.212 20 5 CGBDMO CC[N@@H+](C(C)C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475757 806412566 /nfs/dbraw/zinc/41/25/66/806412566.db2.gz JQODXFPHTKYLGD-UHFFFAOYSA-N 1 1 291.395 3.294 20 5 CGBDMO CO[C@@H]1CCC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254557839 806450166 /nfs/dbraw/zinc/45/01/66/806450166.db2.gz CKAPWDMMXORJHY-DZGCQCFKSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001254596734 806456667 /nfs/dbraw/zinc/45/66/67/806456667.db2.gz FUJIEQPLWTWQDF-YGRLFVJLSA-N 1 1 296.317 3.039 20 5 CGBDMO C[C@@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1C ZINC001254595985 806457421 /nfs/dbraw/zinc/45/74/21/806457421.db2.gz ASPJBHTVGXNUED-PBFPGSCMSA-N 1 1 288.391 3.430 20 5 CGBDMO C[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]1C ZINC001254600769 806458281 /nfs/dbraw/zinc/45/82/81/806458281.db2.gz RJBAZHQLQMXYSB-BFQNTYOBSA-N 1 1 274.364 3.182 20 5 CGBDMO CCC[N@@H+](CC1CC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598806 806458301 /nfs/dbraw/zinc/45/83/01/806458301.db2.gz MATAHEVAPAWVKT-INIZCTEOSA-N 1 1 274.364 3.184 20 5 CGBDMO CC(C)(C)[C@H]([NH2+]Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000123577516 798995179 /nfs/dbraw/zinc/99/51/79/798995179.db2.gz FOCBWUSODMHQCU-CQSZACIVSA-N 1 1 288.351 3.126 20 5 CGBDMO CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000402581092 799563268 /nfs/dbraw/zinc/56/32/68/799563268.db2.gz DCUHFSVDPSFBDG-LBPRGKRZSA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169007450 807551406 /nfs/dbraw/zinc/55/14/06/807551406.db2.gz NWCILOGBMVJJHI-NFAWXSAZSA-N 1 1 274.364 3.051 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2c2ccccc2)C1 ZINC001169025439 807554577 /nfs/dbraw/zinc/55/45/77/807554577.db2.gz IXTMVHHOAMPIBJ-BMFZPTHFSA-N 1 1 274.364 3.269 20 5 CGBDMO C[N@@H+](C/C=C/c1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038633 807557151 /nfs/dbraw/zinc/55/71/51/807557151.db2.gz JPYAJEPCRSWVNC-AUPUMLSVSA-N 1 1 274.364 3.077 20 5 CGBDMO C[C@H]1c2ccccc2CC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169056801 807562435 /nfs/dbraw/zinc/56/24/35/807562435.db2.gz SUAPLHGCYNDSJJ-GUTXKFCHSA-N 1 1 274.364 3.051 20 5 CGBDMO COc1ccc(C[C@H](C)[N@H+]2CCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC001170336519 807826539 /nfs/dbraw/zinc/82/65/39/807826539.db2.gz YOEKEWWNVIIWTF-LBPRGKRZSA-N 1 1 290.363 3.020 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC2(CC2)C1 ZINC001173220825 808540491 /nfs/dbraw/zinc/54/04/91/808540491.db2.gz CRPHWHZRHAZPHW-LBPRGKRZSA-N 1 1 260.337 3.012 20 5 CGBDMO CCCO[C@H]1CC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173225732 808541146 /nfs/dbraw/zinc/54/11/46/808541146.db2.gz FRGUDFBKVIFGPH-CJNGLKHVSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C(C)(C)C ZINC001173227636 808541946 /nfs/dbraw/zinc/54/19/46/808541946.db2.gz RNRDCROBGLHASC-NSHDSACASA-N 1 1 250.342 3.256 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC1(C)C ZINC001173230426 808542911 /nfs/dbraw/zinc/54/29/11/808542911.db2.gz YDGFLSIATWWYSB-LBPRGKRZSA-N 1 1 262.353 3.400 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1nccs1 ZINC001173235363 808544802 /nfs/dbraw/zinc/54/48/02/808544802.db2.gz WINUTVYTQXDAAJ-NSHDSACASA-N 1 1 291.376 3.114 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1nccs1 ZINC001173235363 808544805 /nfs/dbraw/zinc/54/48/05/808544805.db2.gz WINUTVYTQXDAAJ-NSHDSACASA-N 1 1 291.376 3.114 20 5 CGBDMO CC(C)O[C@@H]1CC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173234825 808544910 /nfs/dbraw/zinc/54/49/10/808544910.db2.gz UFHCMCATYQQXLA-XJKSGUPXSA-N 1 1 292.379 3.025 20 5 CGBDMO C[C@@H]1C[C@H](C)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001176244102 809654128 /nfs/dbraw/zinc/65/41/28/809654128.db2.gz VCNWTPNNMIHOHH-ZIAGYGMSSA-N 1 1 292.379 3.342 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCSC[C@H](C)C1 ZINC001181445305 810053036 /nfs/dbraw/zinc/05/30/36/810053036.db2.gz NXOLSHGROMUVRP-LLVKDONJSA-N 1 1 294.420 3.397 20 5 CGBDMO O=[N+]([O-])CC[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC001190509687 810631549 /nfs/dbraw/zinc/63/15/49/810631549.db2.gz GVLPBNQXGTZGPN-UHFFFAOYSA-N 1 1 270.332 3.081 20 5 CGBDMO O=[N+]([O-])CC[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC001190509687 810631553 /nfs/dbraw/zinc/63/15/53/810631553.db2.gz GVLPBNQXGTZGPN-UHFFFAOYSA-N 1 1 270.332 3.081 20 5 CGBDMO CCC[C@@]1(C)CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001191258630 810694149 /nfs/dbraw/zinc/69/41/49/810694149.db2.gz OUFIZLKKCDMEFX-HNNXBMFYSA-N 1 1 277.368 3.392 20 5 CGBDMO C[C@@H]([NH2+]Cc1cccc(Cl)n1)c1ccc([N+](=O)[O-])cc1 ZINC001197646385 811441986 /nfs/dbraw/zinc/44/19/86/811441986.db2.gz GOKMKANRJINYEZ-SNVBAGLBSA-N 1 1 291.738 3.494 20 5 CGBDMO Cn1c2ccccc2[nH+]c1Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001211189596 814843947 /nfs/dbraw/zinc/84/39/47/814843947.db2.gz ZILCUSFLXOWZPE-UHFFFAOYSA-N 1 1 286.266 3.364 20 5 CGBDMO CC[N@H+]1CCC[C@@H](O[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001223432466 816629864 /nfs/dbraw/zinc/62/98/64/816629864.db2.gz VDSCUHWFOUPFRB-SWLSCSKDSA-N 1 1 278.352 3.157 20 5 CGBDMO CC(C)[N@H+]1CC[C@@H](O[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001224027443 816722740 /nfs/dbraw/zinc/72/27/40/816722740.db2.gz VIWAJNYKVUXYDC-IUODEOHRSA-N 1 1 278.352 3.155 20 5 CGBDMO Cc1cccc(O[C@@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001225635373 817121912 /nfs/dbraw/zinc/12/19/12/817121912.db2.gz GHTDGDBDONUAKC-CYBMUJFWSA-N 1 1 278.352 3.155 20 5 CGBDMO Cc1c(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC001225692955 817144784 /nfs/dbraw/zinc/14/47/84/817144784.db2.gz JDVXBJRSESLZMP-VIKVFOODSA-N 1 1 290.363 3.012 20 5 CGBDMO Cc1cc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc([N+](=O)[O-])c1 ZINC001228839778 818018560 /nfs/dbraw/zinc/01/85/60/818018560.db2.gz YOYCXMQCWBTSTN-YWVIFJGQSA-N 1 1 290.363 3.012 20 5 CGBDMO C[N@H+]1CCC[C@@H](Oc2ccnc3c2ccc2cccnc23)C1 ZINC001234086454 818775689 /nfs/dbraw/zinc/77/56/89/818775689.db2.gz GBFFVGXINHREED-CQSZACIVSA-N 1 1 293.370 3.256 20 5 CGBDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001330089356 935268232 /nfs/dbraw/zinc/26/82/32/935268232.db2.gz LPKAKFQHZCHPJG-QWHCGFSZSA-N 1 1 298.383 3.450 20 5 CGBDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001459950407 937507782 /nfs/dbraw/zinc/50/77/82/937507782.db2.gz OGWTXXKVPALVBC-BBRMVZONSA-N 1 1 292.379 3.484 20 5 CGBDMO Cc1cc(O[C@@H]2CCC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC001230477987 932576030 /nfs/dbraw/zinc/57/60/30/932576030.db2.gz RKHUHGNJXMUTIM-CQSZACIVSA-N 1 1 292.379 3.463 20 5 CGBDMO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001230723113 932614619 /nfs/dbraw/zinc/61/46/19/932614619.db2.gz DRHNRTNATYREBK-CQSZACIVSA-N 1 1 292.379 3.463 20 5 CGBDMO CCC[C@H](NCC[C@@H](C)[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC001326474272 934982056 /nfs/dbraw/zinc/98/20/56/934982056.db2.gz UHTSJLZISANABV-DOMZBBRYSA-N 1 1 279.384 3.024 20 5 CGBDMO Cc1ccc(CNc2[nH+]c3ccccc3n2C)cc1[N+](=O)[O-] ZINC001474247210 937846053 /nfs/dbraw/zinc/84/60/53/937846053.db2.gz VGKKXVLDLOUNMI-UHFFFAOYSA-N 1 1 296.330 3.402 20 5 CGBDMO CCC[N@@H+](C)CC(C)(C)Nc1ccccc1[N+](=O)[O-] ZINC001559241976 938222869 /nfs/dbraw/zinc/22/28/69/938222869.db2.gz CMUQGYSPGONGAV-UHFFFAOYSA-N 1 1 265.357 3.127 20 5 CGBDMO CC[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001559769408 938235294 /nfs/dbraw/zinc/23/52/94/938235294.db2.gz OCGNKFNXZLRLPX-STQMWFEESA-N 1 1 278.352 3.094 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590599193 346853932 /nfs/dbraw/zinc/85/39/32/346853932.db2.gz BWWFHRMVXNKKFV-AWEZNQCLSA-N 1 1 297.358 3.369 20 5 CGBDMO CC[C@@H](CSC)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000358744209 529527696 /nfs/dbraw/zinc/52/76/96/529527696.db2.gz IMBRNFUZHFFZFS-LBPRGKRZSA-N 1 1 298.408 3.047 20 5 CGBDMO CCC[C@@H](N[C@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000591578222 346930228 /nfs/dbraw/zinc/93/02/28/346930228.db2.gz BMKKNVAKNGLJJB-GOEBONIOSA-N 1 1 291.395 3.168 20 5 CGBDMO C[N@@H+](CCCCNc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000413349450 529884244 /nfs/dbraw/zinc/88/42/44/529884244.db2.gz RWVRACSXPIMDTD-UHFFFAOYSA-N 1 1 281.331 3.020 20 5 CGBDMO C[C@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000034031186 344937365 /nfs/dbraw/zinc/93/73/65/344937365.db2.gz JSOFGFPBZSHDPT-ZDUSSCGKSA-N 1 1 278.352 3.238 20 5 CGBDMO Cc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000040624251 344965257 /nfs/dbraw/zinc/96/52/57/344965257.db2.gz XWROIFMWOYMNDC-CYBMUJFWSA-N 1 1 277.368 3.045 20 5 CGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])s1)[N@H+]1CCC[C@H](C)C1 ZINC000048999740 345070543 /nfs/dbraw/zinc/07/05/43/345070543.db2.gz RXJNPWWOSBOQQO-QWRGUYRKSA-N 1 1 283.397 3.189 20 5 CGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000050989598 345086157 /nfs/dbraw/zinc/08/61/57/345086157.db2.gz OGYBYVJPMCLWIQ-UHFFFAOYSA-N 1 1 260.337 3.215 20 5 CGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000065208253 345269620 /nfs/dbraw/zinc/26/96/20/345269620.db2.gz FQGANRANSAGYTH-UHFFFAOYSA-N 1 1 278.352 3.238 20 5 CGBDMO CS[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000295115480 199352484 /nfs/dbraw/zinc/35/24/84/199352484.db2.gz VQCVIWCFMWSNMN-BPJJOFIESA-N 1 1 278.377 3.045 20 5 CGBDMO Cc1c(C[N@H+](C)[C@H](C)c2ccncc2)cccc1[N+](=O)[O-] ZINC000127548465 187314645 /nfs/dbraw/zinc/31/46/45/187314645.db2.gz PPGXSZDOHZPZOH-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO CCOC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000172019675 346214362 /nfs/dbraw/zinc/21/43/62/346214362.db2.gz DBGABYMAZWGODO-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000593660828 347101381 /nfs/dbraw/zinc/10/13/81/347101381.db2.gz SEKZFFKLJUQZNX-INIZCTEOSA-N 1 1 292.379 3.293 20 5 CGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccsc1[N+](=O)[O-] ZINC000589609040 346802513 /nfs/dbraw/zinc/80/25/13/346802513.db2.gz VQLFCKJSALNPBP-SNVBAGLBSA-N 1 1 271.386 3.189 20 5 CGBDMO CC(C)(CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)C1CC1 ZINC000593969619 347126403 /nfs/dbraw/zinc/12/64/03/347126403.db2.gz BUHFPVHSHDBTAK-UHFFFAOYSA-N 1 1 289.379 3.174 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594597642 347199364 /nfs/dbraw/zinc/19/93/64/347199364.db2.gz DHSPMVYRWPMYGV-CABCVRRESA-N 1 1 293.342 3.163 20 5 CGBDMO Cc1noc(C[N@@H+]2CCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595288449 347286546 /nfs/dbraw/zinc/28/65/46/347286546.db2.gz IXJGZWOMOIKZFH-ZDUSSCGKSA-N 1 1 287.319 3.228 20 5 CGBDMO Cc1noc(C[N@H+]2CCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595288449 347286550 /nfs/dbraw/zinc/28/65/50/347286550.db2.gz IXJGZWOMOIKZFH-ZDUSSCGKSA-N 1 1 287.319 3.228 20 5 CGBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CCCC1 ZINC000595297615 347288337 /nfs/dbraw/zinc/28/83/37/347288337.db2.gz XMKGBFMUKJQPES-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO Cc1noc(C[NH+]2CCC(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000595325977 347292176 /nfs/dbraw/zinc/29/21/76/347292176.db2.gz KXNPLWZZOAYBGI-UHFFFAOYSA-N 1 1 293.367 3.293 20 5 CGBDMO CC[C@H]1CCCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595326203 347292462 /nfs/dbraw/zinc/29/24/62/347292462.db2.gz ACLYHBQDOALRFN-NSHDSACASA-N 1 1 267.329 3.046 20 5 CGBDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595373529 347296759 /nfs/dbraw/zinc/29/67/59/347296759.db2.gz LJDVMDOGARCHST-JTQLQIEISA-N 1 1 286.372 3.307 20 5 CGBDMO CC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccc(C)cc1 ZINC000595410302 347299424 /nfs/dbraw/zinc/29/94/24/347299424.db2.gz SICMYSWZMOUZEV-CYBMUJFWSA-N 1 1 289.335 3.441 20 5 CGBDMO C[C@@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595057522 347272337 /nfs/dbraw/zinc/27/23/37/347272337.db2.gz YRDDBPUYUFBJIL-TZMCWYRMSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595057522 347272339 /nfs/dbraw/zinc/27/23/39/347272339.db2.gz YRDDBPUYUFBJIL-TZMCWYRMSA-N 1 1 291.395 3.118 20 5 CGBDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595511191 347313673 /nfs/dbraw/zinc/31/36/73/347313673.db2.gz OQHNEZVHBRMQCF-LLVKDONJSA-N 1 1 298.383 3.309 20 5 CGBDMO CC[C@H](C)[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000595593484 347322845 /nfs/dbraw/zinc/32/28/45/347322845.db2.gz QKTQVVAUTHZXCZ-NSHDSACASA-N 1 1 266.341 3.224 20 5 CGBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000595858655 347368276 /nfs/dbraw/zinc/36/82/76/347368276.db2.gz YNFOZQSVCFATIC-YOGCLGLASA-N 1 1 278.327 3.497 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000596337669 347423132 /nfs/dbraw/zinc/42/31/32/347423132.db2.gz ZRDQMRHYYPCLAM-SECBINFHSA-N 1 1 299.321 3.158 20 5 CGBDMO C[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000598975222 347703025 /nfs/dbraw/zinc/70/30/25/347703025.db2.gz UEKDYXXCMBWZKU-QWHCGFSZSA-N 1 1 291.395 3.118 20 5 CGBDMO Cc1cc(NC[C@@H]2CCCC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000599141702 347720633 /nfs/dbraw/zinc/72/06/33/347720633.db2.gz PJWIBGQFPOYFLO-LBPRGKRZSA-N 1 1 295.358 3.186 20 5 CGBDMO Cc1cc(NC[C@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])s1 ZINC000599140869 347720730 /nfs/dbraw/zinc/72/07/30/347720730.db2.gz ISBJTOKBELBUFD-LLVKDONJSA-N 1 1 283.397 3.109 20 5 CGBDMO Cc1c(C[NH2+]Cc2cnc(C3CC3)o2)cccc1[N+](=O)[O-] ZINC000600155210 347785118 /nfs/dbraw/zinc/78/51/18/347785118.db2.gz HWPDOTUAXZCAOJ-UHFFFAOYSA-N 1 1 287.319 3.058 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC1CCSCC1 ZINC000602658528 348002946 /nfs/dbraw/zinc/00/29/46/348002946.db2.gz KAUZZMSWSPBLKJ-UHFFFAOYSA-N 1 1 294.420 3.212 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH+]2CC(c3ccccc3)C2)c(F)c1 ZINC000602729602 348020034 /nfs/dbraw/zinc/02/00/34/348020034.db2.gz XJWKUWHVLHBYQM-UHFFFAOYSA-N 1 1 286.306 3.333 20 5 CGBDMO COc1ccc(C[N@H+]2CCC[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000609120997 348336307 /nfs/dbraw/zinc/33/63/07/348336307.db2.gz RADYTRIOMUJWRD-AWEZNQCLSA-N 1 1 290.363 3.368 20 5 CGBDMO CC1(C)[C@@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000610216233 348367799 /nfs/dbraw/zinc/36/77/99/348367799.db2.gz HUBMNKQGUPQGPX-TXEJJXNPSA-N 1 1 280.755 3.336 20 5 CGBDMO CCO[C@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000610002292 348360332 /nfs/dbraw/zinc/36/03/32/348360332.db2.gz WLYPQAQOALTUQZ-DOMZBBRYSA-N 1 1 278.352 3.157 20 5 CGBDMO CC(C)c1ccc(C[N@H+](C)Cc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000611271914 348434621 /nfs/dbraw/zinc/43/46/21/348434621.db2.gz MIDSQOAAOKBCCJ-UHFFFAOYSA-N 1 1 288.351 3.073 20 5 CGBDMO CC(C)c1ccc(C[N@@H+](C)Cc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000611271914 348434625 /nfs/dbraw/zinc/43/46/25/348434625.db2.gz MIDSQOAAOKBCCJ-UHFFFAOYSA-N 1 1 288.351 3.073 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(F)F)C1 ZINC000611179621 348427161 /nfs/dbraw/zinc/42/71/61/348427161.db2.gz GIEWCXPAIDEEOP-KOLCDFICSA-N 1 1 270.279 3.243 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611180548 348427179 /nfs/dbraw/zinc/42/71/79/348427179.db2.gz ZEQQMEYLPLZGFA-VHSXEESVSA-N 1 1 270.279 3.243 20 5 CGBDMO CC(C)C[N@H+]1CCC[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000611413754 348449737 /nfs/dbraw/zinc/44/97/37/348449737.db2.gz RGBPCIDXSNTOJO-LBPRGKRZSA-N 1 1 297.424 3.436 20 5 CGBDMO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000611498481 348455995 /nfs/dbraw/zinc/45/59/95/348455995.db2.gz FEWWQDUDWPGZPH-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCOC1 ZINC000611774782 348475365 /nfs/dbraw/zinc/47/53/65/348475365.db2.gz XFZFIEWKPPTUAP-LLVKDONJSA-N 1 1 298.770 3.107 20 5 CGBDMO Cc1c([C@H](C)[NH2+][C@@H](CN)C2CCCC2)cccc1[N+](=O)[O-] ZINC000423499753 236087151 /nfs/dbraw/zinc/08/71/51/236087151.db2.gz JORXGUZBENBQCW-WFASDCNBSA-N 1 1 291.395 3.071 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000426475639 236298263 /nfs/dbraw/zinc/29/82/63/236298263.db2.gz YSAIHKBBWATIDZ-ZWNOBZJWSA-N 1 1 264.300 3.108 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000341968285 216170698 /nfs/dbraw/zinc/17/06/98/216170698.db2.gz ARZPQRFBFCIZCK-BBRMVZONSA-N 1 1 290.363 3.158 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCCC1 ZINC000341990681 216178527 /nfs/dbraw/zinc/17/85/27/216178527.db2.gz MBILOGDKVYDQGS-UHFFFAOYSA-N 1 1 278.352 3.368 20 5 CGBDMO Cc1cccc(NC[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000218845080 376189734 /nfs/dbraw/zinc/18/97/34/376189734.db2.gz DNJUTUCKRGDBEX-CYBMUJFWSA-N 1 1 277.368 3.045 20 5 CGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCOC1 ZINC000182158032 189315470 /nfs/dbraw/zinc/31/54/70/189315470.db2.gz LEKCKDAVPYWONX-NSHDSACASA-N 1 1 298.770 3.107 20 5 CGBDMO CCCC[N@@H+](CCCO)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182156884 189315841 /nfs/dbraw/zinc/31/58/41/189315841.db2.gz HBCGXAIQHWKCCR-ZDUSSCGKSA-N 1 1 280.368 3.140 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC1CCOCC1 ZINC000182996657 189342373 /nfs/dbraw/zinc/34/23/73/189342373.db2.gz ZENWBEDBHXUAAK-CYBMUJFWSA-N 1 1 292.379 3.323 20 5 CGBDMO CCC[N@H+]1CC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301773973 201188876 /nfs/dbraw/zinc/18/88/76/201188876.db2.gz GQJQADVPMSSVCH-JTQLQIEISA-N 1 1 299.321 3.017 20 5 CGBDMO C[C@H]1CCCC[N@H+]1CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000301805792 201208438 /nfs/dbraw/zinc/20/84/38/201208438.db2.gz VSKSNCRSXZQGLH-JTQLQIEISA-N 1 1 299.321 3.159 20 5 CGBDMO C[C@@H]1Cc2[nH+]cn(Cc3csc([N+](=O)[O-])c3)c2C[C@H]1C ZINC000451005008 240187715 /nfs/dbraw/zinc/18/77/15/240187715.db2.gz XNXZWFDBCVMHEZ-NXEZZACHSA-N 1 1 291.376 3.272 20 5 CGBDMO CCC[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000423409064 283937026 /nfs/dbraw/zinc/93/70/26/283937026.db2.gz YLZQZIGGVSCXQN-MAZHCROVSA-N 1 1 291.395 3.024 20 5 CGBDMO CC1(C)CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000353271883 220001572 /nfs/dbraw/zinc/00/15/72/220001572.db2.gz IKHKPYQQTDTYMM-UHFFFAOYSA-N 1 1 278.352 3.096 20 5 CGBDMO COc1ccc(C[N@H+]2C[C@H](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000330619502 203046537 /nfs/dbraw/zinc/04/65/37/203046537.db2.gz ZCOCPMKVJOPRLG-LLVKDONJSA-N 1 1 278.352 3.224 20 5 CGBDMO CC[C@@H](NCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000037010524 369050102 /nfs/dbraw/zinc/05/01/02/369050102.db2.gz JVGDJJAVSRWYCS-MRXNPFEDSA-N 1 1 291.395 3.121 20 5 CGBDMO CCOc1cc(C[N@H+]2C[C@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000492777718 244023077 /nfs/dbraw/zinc/02/30/77/244023077.db2.gz ZACJVPVWJMQURZ-VXGBXAGGSA-N 1 1 278.352 3.224 20 5 CGBDMO CC[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493378024 244151125 /nfs/dbraw/zinc/15/11/25/244151125.db2.gz AERDJWYMHICWCK-JTQLQIEISA-N 1 1 268.744 3.480 20 5 CGBDMO CC(C)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000077357094 369946321 /nfs/dbraw/zinc/94/63/21/369946321.db2.gz BHOZPUKCHOUYQW-UHFFFAOYSA-N 1 1 262.353 3.400 20 5 CGBDMO Cc1ccc([C@H](C)NC[C@@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000130915194 371070398 /nfs/dbraw/zinc/07/03/98/371070398.db2.gz RBONBRARLVZGBG-OLZOCXBDSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1ccc([C@H](C)NC[C@@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000130915194 371070402 /nfs/dbraw/zinc/07/04/02/371070402.db2.gz RBONBRARLVZGBG-OLZOCXBDSA-N 1 1 291.395 3.037 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](CCOc1ccccc1)C2 ZINC000153348942 371763684 /nfs/dbraw/zinc/76/36/84/371763684.db2.gz JVDZRCUMMIQVBS-UHFFFAOYSA-N 1 1 298.342 3.032 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCOc1ccccc1)C2 ZINC000153348942 371763689 /nfs/dbraw/zinc/76/36/89/371763689.db2.gz JVDZRCUMMIQVBS-UHFFFAOYSA-N 1 1 298.342 3.032 20 5 CGBDMO CC(C)[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000291238434 372144745 /nfs/dbraw/zinc/14/47/45/372144745.db2.gz LABFURJPTZVFSM-GFCCVEGCSA-N 1 1 298.770 3.248 20 5 CGBDMO CSC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000429298751 372346112 /nfs/dbraw/zinc/34/61/12/372346112.db2.gz FTBQQIWMVJSWCH-LLVKDONJSA-N 1 1 298.383 3.309 20 5 CGBDMO COc1cc(C[N@H+](C)Cc2occc2C)ccc1[N+](=O)[O-] ZINC000429379760 372358724 /nfs/dbraw/zinc/35/87/24/372358724.db2.gz ASKMCZWQZZUWGK-UHFFFAOYSA-N 1 1 290.319 3.137 20 5 CGBDMO COc1cc(C[N@@H+](C)Cc2occc2C)ccc1[N+](=O)[O-] ZINC000429379760 372358729 /nfs/dbraw/zinc/35/87/29/372358729.db2.gz ASKMCZWQZZUWGK-UHFFFAOYSA-N 1 1 290.319 3.137 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000293478974 372392072 /nfs/dbraw/zinc/39/20/72/372392072.db2.gz RRHRYGJWMFDKGC-MNOVXSKESA-N 1 1 287.319 3.090 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000293478974 372392080 /nfs/dbraw/zinc/39/20/80/372392080.db2.gz RRHRYGJWMFDKGC-MNOVXSKESA-N 1 1 287.319 3.090 20 5 CGBDMO COC1(CC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000293650924 372437088 /nfs/dbraw/zinc/43/70/88/372437088.db2.gz SKXBYGQDYHOVRG-UHFFFAOYSA-N 1 1 292.379 3.028 20 5 CGBDMO C[C@@H]1C[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000432321987 372558861 /nfs/dbraw/zinc/55/88/61/372558861.db2.gz JQKIRIVSPAAMEI-ZJUUUORDSA-N 1 1 295.770 3.285 20 5 CGBDMO COc1ccc(C[N@H+](C)Cc2occc2C)cc1[N+](=O)[O-] ZINC000353433334 220079998 /nfs/dbraw/zinc/07/99/98/220079998.db2.gz FYJGYYIVDYIKMO-UHFFFAOYSA-N 1 1 290.319 3.137 20 5 CGBDMO COc1ccc(C[N@@H+](C)Cc2occc2C)cc1[N+](=O)[O-] ZINC000353433334 220080001 /nfs/dbraw/zinc/08/00/01/220080001.db2.gz FYJGYYIVDYIKMO-UHFFFAOYSA-N 1 1 290.319 3.137 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1C ZINC000174421079 373313574 /nfs/dbraw/zinc/31/35/74/373313574.db2.gz JBUTXNOYWLMHQD-GFCCVEGCSA-N 1 1 278.352 3.366 20 5 CGBDMO COC[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000353607874 220186536 /nfs/dbraw/zinc/18/65/36/220186536.db2.gz BWLQSRYUPIYSPZ-CQSZACIVSA-N 1 1 292.379 3.187 20 5 CGBDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000447057712 373396560 /nfs/dbraw/zinc/39/65/60/373396560.db2.gz DUSPYFZIOLGMET-INIZCTEOSA-N 1 1 292.379 3.376 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000301104175 373660726 /nfs/dbraw/zinc/66/07/26/373660726.db2.gz POQXTBRRRTWIIE-LLVKDONJSA-N 1 1 281.331 3.020 20 5 CGBDMO Cc1ccc(C[N@H+]2CCSC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449527806 373825140 /nfs/dbraw/zinc/82/51/40/373825140.db2.gz LCUAHOQXAGYZJS-OAHLLOKOSA-N 1 1 292.404 3.231 20 5 CGBDMO CCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000449499827 373796513 /nfs/dbraw/zinc/79/65/13/373796513.db2.gz MIBDFRYRCIWOFG-CJNGLKHVSA-N 1 1 292.379 3.150 20 5 CGBDMO Cc1cccc(NC[C@H]2CC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000302514378 373885945 /nfs/dbraw/zinc/88/59/45/373885945.db2.gz UPJHEKQYCHNHQB-CQSZACIVSA-N 1 1 291.395 3.293 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCO[C@H](C)C1 ZINC000182740560 374319094 /nfs/dbraw/zinc/31/90/94/374319094.db2.gz PQYSLPMXKXCPGH-CHWSQXEVSA-N 1 1 278.352 3.075 20 5 CGBDMO CSCC[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182849690 374334481 /nfs/dbraw/zinc/33/44/81/374334481.db2.gz BYCOUERKRWVCKU-LLVKDONJSA-N 1 1 268.382 3.259 20 5 CGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000185636487 374703033 /nfs/dbraw/zinc/70/30/33/374703033.db2.gz RVWBYZIBCINOLH-DGCLKSJQSA-N 1 1 278.352 3.224 20 5 CGBDMO CC[C@@]1(C)CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000464782276 374898906 /nfs/dbraw/zinc/89/89/06/374898906.db2.gz WLWAMWVKNZVYQS-INIZCTEOSA-N 1 1 292.379 3.486 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC([C@H]3CCCO3)CC2)cs1 ZINC000189209606 375342394 /nfs/dbraw/zinc/34/23/94/375342394.db2.gz VZPIWNKFOKQZDH-CYBMUJFWSA-N 1 1 296.392 3.047 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)CC(C)C ZINC000507133261 375676914 /nfs/dbraw/zinc/67/69/14/375676914.db2.gz UVRYPQJNZHVVMG-UHFFFAOYSA-N 1 1 280.368 3.471 20 5 CGBDMO C[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000509679584 375782082 /nfs/dbraw/zinc/78/20/82/375782082.db2.gz IDNQWBQCEFXJEV-SECBINFHSA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000509679584 375782085 /nfs/dbraw/zinc/78/20/85/375782085.db2.gz IDNQWBQCEFXJEV-SECBINFHSA-N 1 1 284.306 3.493 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c(F)c1 ZINC000336829435 375988876 /nfs/dbraw/zinc/98/88/76/375988876.db2.gz AJJNEIRDQWUNSI-ABAIWWIYSA-N 1 1 278.327 3.498 20 5 CGBDMO CCC[C@@H](C)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000540506944 376378436 /nfs/dbraw/zinc/37/84/36/376378436.db2.gz DAXWAAXKKJSGCK-GFCCVEGCSA-N 1 1 250.342 3.463 20 5 CGBDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000556866691 376891183 /nfs/dbraw/zinc/89/11/83/376891183.db2.gz HQBHQIPDHACPHT-XUJVJEKNSA-N 1 1 290.363 3.453 20 5 CGBDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000556866691 376891194 /nfs/dbraw/zinc/89/11/94/376891194.db2.gz HQBHQIPDHACPHT-XUJVJEKNSA-N 1 1 290.363 3.453 20 5 CGBDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000556866689 376892022 /nfs/dbraw/zinc/89/20/22/376892022.db2.gz HQBHQIPDHACPHT-LALPHHSUSA-N 1 1 290.363 3.453 20 5 CGBDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000556866689 376892033 /nfs/dbraw/zinc/89/20/33/376892033.db2.gz HQBHQIPDHACPHT-LALPHHSUSA-N 1 1 290.363 3.453 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000245936711 376938753 /nfs/dbraw/zinc/93/87/53/376938753.db2.gz QERBFVXASQJVRU-WDEREUQCSA-N 1 1 289.335 3.214 20 5 CGBDMO COC[C@H](C)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000562521771 377324143 /nfs/dbraw/zinc/32/41/43/377324143.db2.gz WBHAGVYGMLFXNF-HIFRSBDPSA-N 1 1 292.379 3.057 20 5 CGBDMO COc1ccc(F)c(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000339187747 249102098 /nfs/dbraw/zinc/10/20/98/249102098.db2.gz DNNVEFKUDOXOFX-UHFFFAOYSA-N 1 1 290.294 3.032 20 5 CGBDMO CCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000255228245 377743667 /nfs/dbraw/zinc/74/36/67/377743667.db2.gz VFUNZRGRCKKOFE-ALCCZGGFSA-N 1 1 260.337 3.482 20 5 CGBDMO CCC[N@H+]1CCC[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000343924621 378135603 /nfs/dbraw/zinc/13/56/03/378135603.db2.gz XLCGGBGPXNLNJY-GFCCVEGCSA-N 1 1 281.331 3.020 20 5 CGBDMO CCC[N@H+]1CCC[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000343924622 378135730 /nfs/dbraw/zinc/13/57/30/378135730.db2.gz XLCGGBGPXNLNJY-LBPRGKRZSA-N 1 1 281.331 3.020 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+](CCCCCCO)C2CC2)cc1 ZINC000270902483 378412492 /nfs/dbraw/zinc/41/24/92/378412492.db2.gz OSWVRANJNKYBNG-UHFFFAOYSA-N 1 1 292.379 3.112 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000272518050 378655720 /nfs/dbraw/zinc/65/57/20/378655720.db2.gz KYMVUSYYLVLNKS-IOASZLSFSA-N 1 1 292.379 3.139 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCSCC2)c(Cl)c1 ZINC000272878261 378717176 /nfs/dbraw/zinc/71/71/76/378717176.db2.gz BXXVDRDXKJWHON-UHFFFAOYSA-N 1 1 286.784 3.187 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCSCC2)c(Cl)c1 ZINC000272878261 378717182 /nfs/dbraw/zinc/71/71/82/378717182.db2.gz BXXVDRDXKJWHON-UHFFFAOYSA-N 1 1 286.784 3.187 20 5 CGBDMO COc1cc(C[N@H+]2CCCC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000348180061 378825648 /nfs/dbraw/zinc/82/56/48/378825648.db2.gz JXQTVHHVMFWMTC-UHFFFAOYSA-N 1 1 290.363 3.370 20 5 CGBDMO CCC[N@H+](CCCN(C)C)Cc1ccc([N+](=O)[O-])cc1C ZINC000349370597 379253931 /nfs/dbraw/zinc/25/39/31/379253931.db2.gz RNEQLFUTMTXYGU-UHFFFAOYSA-N 1 1 293.411 3.067 20 5 CGBDMO CCC[N@@H+](CCCN(C)C)Cc1ccc([N+](=O)[O-])cc1C ZINC000349370597 379253932 /nfs/dbraw/zinc/25/39/32/379253932.db2.gz RNEQLFUTMTXYGU-UHFFFAOYSA-N 1 1 293.411 3.067 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCOC(C)(C)C1 ZINC000377700931 379724992 /nfs/dbraw/zinc/72/49/92/379724992.db2.gz JZILPJAVWVKZFV-LBPRGKRZSA-N 1 1 278.352 3.157 20 5 CGBDMO COc1cc(C[N@H+]2C[C@H](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352541267 379848165 /nfs/dbraw/zinc/84/81/65/379848165.db2.gz VTLIPFQDELSBQF-VXGBXAGGSA-N 1 1 278.352 3.224 20 5 CGBDMO CC(C)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000352608592 379874992 /nfs/dbraw/zinc/87/49/92/379874992.db2.gz NHKPCHYTICHFML-AWEZNQCLSA-N 1 1 298.383 3.307 20 5 CGBDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000352608592 379874996 /nfs/dbraw/zinc/87/49/96/379874996.db2.gz NHKPCHYTICHFML-AWEZNQCLSA-N 1 1 298.383 3.307 20 5 CGBDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000354101732 380324381 /nfs/dbraw/zinc/32/43/81/380324381.db2.gz WFMNXNRUBINZEC-HNNXBMFYSA-N 1 1 278.352 3.225 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@H](C)C(C)C)c([N+](=O)[O-])cc1F ZINC000361616819 381840800 /nfs/dbraw/zinc/84/08/00/381840800.db2.gz PZOVFUMMCNMQEF-SNVBAGLBSA-N 1 1 284.331 3.219 20 5 CGBDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000362437483 381991828 /nfs/dbraw/zinc/99/18/28/381991828.db2.gz KCLXDZYEJWCBJU-QWHCGFSZSA-N 1 1 278.352 3.094 20 5 CGBDMO Cc1ncsc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289380679 197320293 /nfs/dbraw/zinc/32/02/93/197320293.db2.gz MMEIZCOLTUFHRW-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1sccc1[N+](=O)[O-] ZINC000302003286 542414044 /nfs/dbraw/zinc/41/40/44/542414044.db2.gz TXABPAOYWWMXBC-WDEREUQCSA-N 1 1 283.397 3.189 20 5 CGBDMO C[C@H](C1CCC1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000357029713 533584744 /nfs/dbraw/zinc/58/47/44/533584744.db2.gz WPEZDKKSKTXHOD-GFCCVEGCSA-N 1 1 278.352 3.094 20 5 CGBDMO COCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000361647233 392285149 /nfs/dbraw/zinc/28/51/49/392285149.db2.gz XJMJSNXEUIIKPL-ZFWWWQNUSA-N 1 1 292.379 3.232 20 5 CGBDMO CS[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000296428359 392558530 /nfs/dbraw/zinc/55/85/30/392558530.db2.gz VGGKQZHQASHVGQ-WDEREUQCSA-N 1 1 266.366 3.093 20 5 CGBDMO Cc1cc(N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000505581047 392676422 /nfs/dbraw/zinc/67/64/22/392676422.db2.gz DQJLKSMDZFISQI-OCCSQVGLSA-N 1 1 291.395 3.436 20 5 CGBDMO CCCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000505610395 392679791 /nfs/dbraw/zinc/67/97/91/392679791.db2.gz MATZSTIWVISWFT-UHFFFAOYSA-N 1 1 266.316 3.498 20 5 CGBDMO CCCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000505610395 392679795 /nfs/dbraw/zinc/67/97/95/392679795.db2.gz MATZSTIWVISWFT-UHFFFAOYSA-N 1 1 266.316 3.498 20 5 CGBDMO COc1cc(C[N@@H+](C)CCC(C)C)c([N+](=O)[O-])cc1F ZINC000184248266 392762115 /nfs/dbraw/zinc/76/21/15/392762115.db2.gz CFLLWTOGNCSRKK-UHFFFAOYSA-N 1 1 284.331 3.220 20 5 CGBDMO C[N@H+](Cc1ccc2c[nH]nc2c1)Cc1ccccc1[N+](=O)[O-] ZINC000179315248 392695923 /nfs/dbraw/zinc/69/59/23/392695923.db2.gz WEWIQCQFYGWPBN-UHFFFAOYSA-N 1 1 296.330 3.103 20 5 CGBDMO C[N@@H+](Cc1ccc2c[nH]nc2c1)Cc1ccccc1[N+](=O)[O-] ZINC000179315248 392695928 /nfs/dbraw/zinc/69/59/28/392695928.db2.gz WEWIQCQFYGWPBN-UHFFFAOYSA-N 1 1 296.330 3.103 20 5 CGBDMO C[C@H]1CC[C@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000190738923 392817875 /nfs/dbraw/zinc/81/78/75/392817875.db2.gz OVXFQFNJTKHJQV-BLLLJJGKSA-N 1 1 290.363 3.127 20 5 CGBDMO CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000520172793 392906516 /nfs/dbraw/zinc/90/65/16/392906516.db2.gz ZLMMLBBFJWRMLX-UHFFFAOYSA-N 1 1 280.368 3.342 20 5 CGBDMO CC[C@]1(C)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000468114805 393125063 /nfs/dbraw/zinc/12/50/63/393125063.db2.gz GVWOAIUOJIDEEA-OAHLLOKOSA-N 1 1 262.353 3.259 20 5 CGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000255774235 393133307 /nfs/dbraw/zinc/13/33/07/393133307.db2.gz OSCXCSPUSTYQQV-RYWCDNDXSA-N 1 1 278.377 3.045 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1C ZINC000470174913 393230040 /nfs/dbraw/zinc/23/00/40/393230040.db2.gz NVSJNCAXAIVNEY-SRXBQZRASA-N 1 1 260.337 3.482 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H]1CCSC1 ZINC000470180400 393231543 /nfs/dbraw/zinc/23/15/43/393231543.db2.gz MPKUYIAAZINNQJ-JQVXPOPVSA-N 1 1 292.404 3.435 20 5 CGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC000471174231 393276506 /nfs/dbraw/zinc/27/65/06/393276506.db2.gz YPUXVAZARSKVBP-KRWDZBQOSA-N 1 1 298.342 3.421 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000356270439 393402851 /nfs/dbraw/zinc/40/28/51/393402851.db2.gz AKMXMFPEHHPZAX-HNNXBMFYSA-N 1 1 272.348 3.359 20 5 CGBDMO COc1cc(C[N@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000475725331 393413457 /nfs/dbraw/zinc/41/34/57/393413457.db2.gz YCWLQOLBIRWQCJ-AGIUHOORSA-N 1 1 292.379 3.470 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000430212132 393540818 /nfs/dbraw/zinc/54/08/18/393540818.db2.gz ZOCJIDKLDHQMPI-VXGBXAGGSA-N 1 1 278.352 3.081 20 5 CGBDMO CC1=C[C@H](C)C[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000430272747 393553811 /nfs/dbraw/zinc/55/38/11/393553811.db2.gz BEXWHTOXBSCCDZ-VIFPVBQESA-N 1 1 252.339 3.054 20 5 CGBDMO CC1=C[C@H](C)C[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000430272747 393553816 /nfs/dbraw/zinc/55/38/16/393553816.db2.gz BEXWHTOXBSCCDZ-VIFPVBQESA-N 1 1 252.339 3.054 20 5 CGBDMO CCCc1[nH+]ccn1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000070424384 165061142 /nfs/dbraw/zinc/06/11/42/165061142.db2.gz LIVSGQBIURRYJX-UHFFFAOYSA-N 1 1 279.727 3.446 20 5 CGBDMO CC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CCS1 ZINC000076073200 165108419 /nfs/dbraw/zinc/10/84/19/165108419.db2.gz OWFRSGPXCAELSA-ZDUSSCGKSA-N 1 1 280.393 3.231 20 5 CGBDMO Cc1cscc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000094878310 165394402 /nfs/dbraw/zinc/39/44/02/165394402.db2.gz OSQMPCQJIQVYHF-UHFFFAOYSA-N 1 1 268.363 3.316 20 5 CGBDMO CC(C)C[C@@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000020201861 171066411 /nfs/dbraw/zinc/06/64/11/171066411.db2.gz BEVCTYCWDBVHER-CJNGLKHVSA-N 1 1 293.411 3.222 20 5 CGBDMO C[C@@H](C1CC1)[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000042123215 270031606 /nfs/dbraw/zinc/03/16/06/270031606.db2.gz BMABQYDVDKUOJK-NSHDSACASA-N 1 1 260.337 3.358 20 5 CGBDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000042276722 270032077 /nfs/dbraw/zinc/03/20/77/270032077.db2.gz VXQFYXHRNSPMCX-NSHDSACASA-N 1 1 297.786 3.390 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000531438921 270206981 /nfs/dbraw/zinc/20/69/81/270206981.db2.gz NASRMTYHKFUNBC-INIZCTEOSA-N 1 1 283.331 3.327 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000531438921 270206982 /nfs/dbraw/zinc/20/69/82/270206982.db2.gz NASRMTYHKFUNBC-INIZCTEOSA-N 1 1 283.331 3.327 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)C1 ZINC000532780019 270219418 /nfs/dbraw/zinc/21/94/18/270219418.db2.gz BEVRJCUUVCJLFY-QWHCGFSZSA-N 1 1 262.353 3.463 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000533250028 270222437 /nfs/dbraw/zinc/22/24/37/270222437.db2.gz PJEKUWUXDLYEHA-LLVKDONJSA-N 1 1 280.368 3.470 20 5 CGBDMO C[C@@H](NC[C@H](C)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000038028838 278353016 /nfs/dbraw/zinc/35/30/16/278353016.db2.gz XGOJFKQEHGHESM-UONOGXRCSA-N 1 1 291.395 3.120 20 5 CGBDMO CCc1cc(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)on1 ZINC000531721009 288342699 /nfs/dbraw/zinc/34/26/99/288342699.db2.gz MYSUQPWTDJFWML-OAHLLOKOSA-N 1 1 289.335 3.386 20 5 CGBDMO C[C@H]1C[C@H](C)[NH+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000547769147 288975357 /nfs/dbraw/zinc/97/53/57/288975357.db2.gz ZVGGIVUMIOFBRR-QWRGUYRKSA-N 1 1 287.319 3.233 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000553614440 289231945 /nfs/dbraw/zinc/23/19/45/289231945.db2.gz BIGWVZCTBGYCHU-CYBMUJFWSA-N 1 1 278.352 3.238 20 5 CGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1cccc(OC)c1[N+](=O)[O-] ZINC000555156609 289330315 /nfs/dbraw/zinc/33/03/15/289330315.db2.gz TUDBQBMVNVYEBN-GFCCVEGCSA-N 1 1 295.383 3.136 20 5 CGBDMO CCCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000567128336 322152117 /nfs/dbraw/zinc/15/21/17/322152117.db2.gz WYMMNMUHYLOBIZ-UHFFFAOYSA-N 1 1 294.399 3.226 20 5 CGBDMO CCCC[C@@H](C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000569629756 322252664 /nfs/dbraw/zinc/25/26/64/322252664.db2.gz ILWKCJMWAJVGFV-LLVKDONJSA-N 1 1 290.367 3.482 20 5 CGBDMO Cc1ncncc1[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000583214395 329370134 /nfs/dbraw/zinc/37/01/34/329370134.db2.gz OAQXHEDBYHDPEY-VXGBXAGGSA-N 1 1 286.335 3.105 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC000580551809 335278799 /nfs/dbraw/zinc/27/87/99/335278799.db2.gz KGGJDZWNNIUFOA-HZPDHXFCSA-N 1 1 286.306 3.322 20 5 CGBDMO C[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)S1 ZINC000382379611 336086779 /nfs/dbraw/zinc/08/67/79/336086779.db2.gz QWZGSHUUQYVEPY-UWVGGRQHSA-N 1 1 284.356 3.060 20 5 CGBDMO CC[N@H+]1CCC[C@H](CNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000156248356 521643623 /nfs/dbraw/zinc/64/36/23/521643623.db2.gz DTUGTUWPWHTMSX-CYBMUJFWSA-N 1 1 277.368 3.047 20 5 CGBDMO CCc1nocc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000339294611 522952858 /nfs/dbraw/zinc/95/28/58/522952858.db2.gz ZSTKNBHULRZUAK-NSHDSACASA-N 1 1 289.335 3.304 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC=C(C)C1 ZINC000436258173 528612688 /nfs/dbraw/zinc/61/26/88/528612688.db2.gz HFJPKXMCKMTGCP-UHFFFAOYSA-N 1 1 276.336 3.146 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC=C(C)C1 ZINC000436258173 528612691 /nfs/dbraw/zinc/61/26/91/528612691.db2.gz HFJPKXMCKMTGCP-UHFFFAOYSA-N 1 1 276.336 3.146 20 5 CGBDMO CC[C@@H](NC[C@@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423250762 529174267 /nfs/dbraw/zinc/17/42/67/529174267.db2.gz VGLBWFUONNNFSY-IAGOWNOFSA-N 1 1 299.374 3.336 20 5 CGBDMO CCN(CC)[C@@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000127577284 535650616 /nfs/dbraw/zinc/65/06/16/535650616.db2.gz IUVKOVNIDQHDKZ-JSGCOSHPSA-N 1 1 293.411 3.284 20 5 CGBDMO CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000463023186 535765522 /nfs/dbraw/zinc/76/55/22/535765522.db2.gz HBNMXIIWCWWTKB-WQMJKPAKSA-N 1 1 290.363 3.109 20 5 CGBDMO CC[C@H](C)C[N@@H+](CC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000748262279 571675500 /nfs/dbraw/zinc/67/55/00/571675500.db2.gz NFZXXFAMNFMZPO-LBPRGKRZSA-N 1 1 290.367 3.270 20 5 CGBDMO CC[C@H](C)C[N@@H+](CC)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000748261430 571675197 /nfs/dbraw/zinc/67/51/97/571675197.db2.gz FQPWALUOJCBFSE-LBPRGKRZSA-N 1 1 290.367 3.270 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000743872753 572694899 /nfs/dbraw/zinc/69/48/99/572694899.db2.gz BTHPDWFDWBHLGL-MNOVXSKESA-N 1 1 266.316 3.354 20 5 CGBDMO CC(C)[N@@H+](C)C[C@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811512907 617629947 /nfs/dbraw/zinc/62/99/47/617629947.db2.gz UCWHJPLDHDHGRA-NSHDSACASA-N 1 1 299.802 3.067 20 5 CGBDMO CC(C)N(C)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811512907 617629952 /nfs/dbraw/zinc/62/99/52/617629952.db2.gz UCWHJPLDHDHGRA-NSHDSACASA-N 1 1 299.802 3.067 20 5 CGBDMO Cc1coc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000894739112 619619866 /nfs/dbraw/zinc/61/98/66/619619866.db2.gz ISLBSUQDQBHCMK-UHFFFAOYSA-N 1 1 274.320 3.171 20 5 CGBDMO Cc1cc(NCCn2cc[nH+]c2C(C)C)ccc1[N+](=O)[O-] ZINC000895988275 619921847 /nfs/dbraw/zinc/92/18/47/619921847.db2.gz MTRNRSRFUUYPFB-UHFFFAOYSA-N 1 1 288.351 3.335 20 5 CGBDMO CC(C)c1[nH+]ccn1CCNc1ccc([N+](=O)[O-])cc1 ZINC000895987829 619922493 /nfs/dbraw/zinc/92/24/93/619922493.db2.gz JABJSBOSFGMJCN-UHFFFAOYSA-N 1 1 274.324 3.027 20 5 CGBDMO CC(C)[N@@H+](C)Cc1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901396661 620874539 /nfs/dbraw/zinc/87/45/39/620874539.db2.gz VSVMBMHAVSRBSD-UHFFFAOYSA-N 1 1 275.308 3.090 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774240 623509880 /nfs/dbraw/zinc/50/98/80/623509880.db2.gz ZIQMHCDJQRDVRJ-GFCCVEGCSA-N 1 1 266.316 3.498 20 5 CGBDMO COC/C(C)=C/C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000929337067 626087697 /nfs/dbraw/zinc/08/76/97/626087697.db2.gz AADJFSPVKCCFDM-NTEUORMPSA-N 1 1 292.379 3.398 20 5 CGBDMO C[C@@H]1CCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000173524823 626091877 /nfs/dbraw/zinc/09/18/77/626091877.db2.gz ZTWORPOEZNRBTQ-SECBINFHSA-N 1 1 293.348 3.314 20 5 CGBDMO C[C@@H]1CCC[N@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000173524823 626091882 /nfs/dbraw/zinc/09/18/82/626091882.db2.gz ZTWORPOEZNRBTQ-SECBINFHSA-N 1 1 293.348 3.314 20 5 CGBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000839191510 626328801 /nfs/dbraw/zinc/32/88/01/626328801.db2.gz ZTYKXXNPISJRSC-UHFFFAOYSA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C ZINC000752091465 626418805 /nfs/dbraw/zinc/41/88/05/626418805.db2.gz IIXPKGFAJYJWRD-ZJUUUORDSA-N 1 1 268.744 3.479 20 5 CGBDMO CC[C@]1(C)CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000758399030 626841874 /nfs/dbraw/zinc/84/18/74/626841874.db2.gz UZZCIDZHPOUJHJ-OAHLLOKOSA-N 1 1 288.351 3.024 20 5 CGBDMO CC[C@@H]1CCC[N@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761292052 627030758 /nfs/dbraw/zinc/03/07/58/627030758.db2.gz XUTAHLINSKTAEY-GFCCVEGCSA-N 1 1 288.351 3.085 20 5 CGBDMO C[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000764954495 627234045 /nfs/dbraw/zinc/23/40/45/627234045.db2.gz LXZJPNPTRZGXIS-CYBMUJFWSA-N 1 1 292.383 3.041 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000764954495 627234048 /nfs/dbraw/zinc/23/40/48/627234048.db2.gz LXZJPNPTRZGXIS-CYBMUJFWSA-N 1 1 292.383 3.041 20 5 CGBDMO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000772950167 627834346 /nfs/dbraw/zinc/83/43/46/627834346.db2.gz GBJFSLZVPOERQE-SNVBAGLBSA-N 1 1 289.335 3.304 20 5 CGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774905714 628048158 /nfs/dbraw/zinc/04/81/58/628048158.db2.gz RCGYCIDLEYPVKK-CMPLNLGQSA-N 1 1 293.323 3.123 20 5 CGBDMO CC(C)[C@@H]1CC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000775762672 628133959 /nfs/dbraw/zinc/13/39/59/628133959.db2.gz CXACXQJDRXXEQU-LBPRGKRZSA-N 1 1 268.744 3.479 20 5 CGBDMO CC(C)[C@@H]1CC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000775762672 628133962 /nfs/dbraw/zinc/13/39/62/628133962.db2.gz CXACXQJDRXXEQU-LBPRGKRZSA-N 1 1 268.744 3.479 20 5 CGBDMO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000776271447 628187859 /nfs/dbraw/zinc/18/78/59/628187859.db2.gz CLGVFGQOSYGPJP-INIZCTEOSA-N 1 1 292.379 3.283 20 5 CGBDMO CCC[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587546 628222344 /nfs/dbraw/zinc/22/23/44/628222344.db2.gz WIOCZDQEGZYBSJ-BBRMVZONSA-N 1 1 292.379 3.140 20 5 CGBDMO Cc1nn(C[N@@H+]2CCCC[C@@H]2CCC(C)C)cc1[N+](=O)[O-] ZINC000779866904 628439054 /nfs/dbraw/zinc/43/90/54/628439054.db2.gz MIZYEOYAXSQLRS-CQSZACIVSA-N 1 1 294.399 3.348 20 5 CGBDMO C/C=C\C[C@H]1CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000863339128 629535829 /nfs/dbraw/zinc/53/58/29/629535829.db2.gz ANTAIPJJXGPBPL-WSNITJDQSA-N 1 1 292.383 3.044 20 5 CGBDMO C/C=C\C[C@H]1CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000863339128 629535833 /nfs/dbraw/zinc/53/58/33/629535833.db2.gz ANTAIPJJXGPBPL-WSNITJDQSA-N 1 1 292.383 3.044 20 5 CGBDMO CC[N@@H+](CC1CCC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000794688571 629568130 /nfs/dbraw/zinc/56/81/30/629568130.db2.gz PUQFIJFOYJMNDW-UHFFFAOYSA-N 1 1 288.351 3.024 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C ZINC000824814446 633294987 /nfs/dbraw/zinc/29/49/87/633294987.db2.gz ADVUPALROZQULO-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO CC(C)O[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000828850959 633660930 /nfs/dbraw/zinc/66/09/30/633660930.db2.gz UHGHCVIBVGXHNA-CYBMUJFWSA-N 1 1 298.770 3.248 20 5 CGBDMO CC(C)O[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000828850959 633660934 /nfs/dbraw/zinc/66/09/34/633660934.db2.gz UHGHCVIBVGXHNA-CYBMUJFWSA-N 1 1 298.770 3.248 20 5 CGBDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031456 633950653 /nfs/dbraw/zinc/95/06/53/633950653.db2.gz KKUNZXDTBXAFRL-RYUDHWBXSA-N 1 1 297.374 3.115 20 5 CGBDMO CCOC[C@H]1CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876789120 634899680 /nfs/dbraw/zinc/89/96/80/634899680.db2.gz RLODIFCANXPDMM-AWEZNQCLSA-N 1 1 292.379 3.070 20 5 CGBDMO Cc1ccc(C[NH2+]Cc2cc(C3CC3)no2)cc1[N+](=O)[O-] ZINC000877730329 635165955 /nfs/dbraw/zinc/16/59/55/635165955.db2.gz WLOWUCBTWPCBJY-UHFFFAOYSA-N 1 1 287.319 3.058 20 5 CGBDMO CCCCC[N@@H+](Cc1cccnc1[N+](=O)[O-])C(C)C ZINC000885951785 637327605 /nfs/dbraw/zinc/32/76/05/637327605.db2.gz PBCPLRHWWBOIMW-UHFFFAOYSA-N 1 1 265.357 3.390 20 5 CGBDMO Cc1ccc([C@@H]2CC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)cc1 ZINC000886125091 637425967 /nfs/dbraw/zinc/42/59/67/637425967.db2.gz JASNZKXCHALGCR-OAHLLOKOSA-N 1 1 297.358 3.288 20 5 CGBDMO CC(C)(C)C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886238471 637467647 /nfs/dbraw/zinc/46/76/47/637467647.db2.gz AMNYBVTVURZNJW-LBPRGKRZSA-N 1 1 277.368 3.248 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CCc2ccccc21 ZINC000886266978 637473257 /nfs/dbraw/zinc/47/32/57/637473257.db2.gz CIQCEWHEVHTXOJ-CYBMUJFWSA-N 1 1 297.358 3.152 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000852532604 637673812 /nfs/dbraw/zinc/67/38/12/637673812.db2.gz JYHSJJMEBVLIRL-LLVKDONJSA-N 1 1 284.306 3.306 20 5 CGBDMO CC12CC(C1)C[N@@H+]2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852786254 637712315 /nfs/dbraw/zinc/71/23/15/637712315.db2.gz UWORMVAJMHMGER-UHFFFAOYSA-N 1 1 266.728 3.233 20 5 CGBDMO CC12CC(C1)C[N@H+]2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852786254 637712320 /nfs/dbraw/zinc/71/23/20/637712320.db2.gz UWORMVAJMHMGER-UHFFFAOYSA-N 1 1 266.728 3.233 20 5 CGBDMO C[C@@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000925727663 638583382 /nfs/dbraw/zinc/58/33/82/638583382.db2.gz BHNFBSSTNDQYOW-JHJVBQTASA-N 1 1 291.395 3.151 20 5 CGBDMO C[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000858170596 638648489 /nfs/dbraw/zinc/64/84/89/638648489.db2.gz OWUBCQCZDARMKL-JSGCOSHPSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000858170596 638648494 /nfs/dbraw/zinc/64/84/94/638648494.db2.gz OWUBCQCZDARMKL-JSGCOSHPSA-N 1 1 291.395 3.118 20 5 CGBDMO Nc1ccc2cc3ccc(NC4=CCC[NH2+]C4)cc3nc2c1 ZINC001159700380 806153677 /nfs/dbraw/zinc/15/36/77/806153677.db2.gz JHONWVCSSTYCSD-UHFFFAOYSA-N 1 1 290.370 3.259 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254552001 806448207 /nfs/dbraw/zinc/44/82/07/806448207.db2.gz HVNMKVOXDFUUGW-NEPJUHHUSA-N 1 1 250.342 3.256 20 5 CGBDMO CC(C)[C@@H]1CCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254609838 806461831 /nfs/dbraw/zinc/46/18/31/806461831.db2.gz ZCHBZXKZTSDQDT-CVEARBPZSA-N 1 1 274.364 3.182 20 5 CGBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCOC1 ZINC000402616582 799563476 /nfs/dbraw/zinc/56/34/76/799563476.db2.gz ZTQQYIMZKIAMHY-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCOC1 ZINC000402616582 799563478 /nfs/dbraw/zinc/56/34/78/799563478.db2.gz ZTQQYIMZKIAMHY-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1cc(C)ccc1[N+](=O)[O-] ZINC001163418617 806762049 /nfs/dbraw/zinc/76/20/49/806762049.db2.gz AFCDLYWHJZZHAQ-CYBMUJFWSA-N 1 1 279.384 3.436 20 5 CGBDMO C[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CC(C)(C)C1 ZINC000840167332 800496171 /nfs/dbraw/zinc/49/61/71/800496171.db2.gz RWDIKKOGPJMNFL-UHFFFAOYSA-N 1 1 288.351 3.022 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2Cc3ccc(Cl)cc3C2)C1 ZINC001169039869 807557027 /nfs/dbraw/zinc/55/70/27/807557027.db2.gz VDBCCZGXGPWCEN-YGRLFVJLSA-N 1 1 280.755 3.101 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC3(C2)CCCCC3)C1 ZINC001169050636 807560267 /nfs/dbraw/zinc/56/02/67/807560267.db2.gz CBXIBNDHAJOVBP-ZIAGYGMSSA-N 1 1 266.385 3.088 20 5 CGBDMO C[C@H]1CCC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909464 808476464 /nfs/dbraw/zinc/47/64/64/808476464.db2.gz RYPVNIHISGTXJX-SWLSCSKDSA-N 1 1 274.364 3.327 20 5 CGBDMO CC[C@H](C)[N@@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222770 808540102 /nfs/dbraw/zinc/54/01/02/808540102.db2.gz VMLAFGQCNNBQSI-RYUDHWBXSA-N 1 1 250.342 3.256 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2cc(O)ccc2C1 ZINC001177015865 809774716 /nfs/dbraw/zinc/77/47/16/809774716.db2.gz RBKOSBXGTBWMRD-LBPRGKRZSA-N 1 1 298.342 3.420 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2cc(O)ccc2C1 ZINC001177015865 809774718 /nfs/dbraw/zinc/77/47/18/809774718.db2.gz RBKOSBXGTBWMRD-LBPRGKRZSA-N 1 1 298.342 3.420 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2cc(O)ccc2C1 ZINC001177015864 809774759 /nfs/dbraw/zinc/77/47/59/809774759.db2.gz RBKOSBXGTBWMRD-GFCCVEGCSA-N 1 1 298.342 3.420 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2cc(O)ccc2C1 ZINC001177015864 809774762 /nfs/dbraw/zinc/77/47/62/809774762.db2.gz RBKOSBXGTBWMRD-GFCCVEGCSA-N 1 1 298.342 3.420 20 5 CGBDMO Cn1c[nH+]c2cccc(Nc3ccc(F)cc3[N+](=O)[O-])c21 ZINC001210953694 814690470 /nfs/dbraw/zinc/69/04/70/814690470.db2.gz PMSGAIZNTVRNLE-UHFFFAOYSA-N 1 1 286.266 3.364 20 5 CGBDMO CC[N@H+]1CCC[C@@H](O[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001223432460 816630147 /nfs/dbraw/zinc/63/01/47/816630147.db2.gz VDSCUHWFOUPFRB-IUODEOHRSA-N 1 1 278.352 3.157 20 5 CGBDMO CC[N@H+]1CCC[C@H](O[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001224025477 816723101 /nfs/dbraw/zinc/72/31/01/816723101.db2.gz MPSRCTMIOSSSHV-WFASDCNBSA-N 1 1 278.352 3.157 20 5 CGBDMO CC(C)[N@H+]1CCC[C@@H](OCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224333086 816780000 /nfs/dbraw/zinc/78/00/00/816780000.db2.gz AYKAWNCHTNUDRR-MRXNPFEDSA-N 1 1 292.379 3.027 20 5 CGBDMO CC(C)[N@H+]1CC[C@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001225713326 817153109 /nfs/dbraw/zinc/15/31/09/817153109.db2.gz RXLMKPVXEXLLHF-NSHDSACASA-N 1 1 284.743 3.110 20 5 CGBDMO C[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC001226809239 817471342 /nfs/dbraw/zinc/47/13/42/817471342.db2.gz BNNVVWADXXYWEO-LLVKDONJSA-N 1 1 284.743 3.111 20 5 CGBDMO Cc1cc(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC001226843570 817482610 /nfs/dbraw/zinc/48/26/10/817482610.db2.gz LSOMOZFIHNFFCI-VIKVFOODSA-N 1 1 290.363 3.012 20 5 CGBDMO Cc1cc(F)c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC001234057255 818769940 /nfs/dbraw/zinc/76/99/40/818769940.db2.gz SIFNADDBMGLIEL-ZSBIGDGJSA-N 1 1 294.326 3.046 20 5 CGBDMO CC(C)[NH+]1CC(Oc2ccnc3c2ccc2cccnc23)C1 ZINC001234087241 818775873 /nfs/dbraw/zinc/77/58/73/818775873.db2.gz MOISIHYJPTXSIG-UHFFFAOYSA-N 1 1 293.370 3.254 20 5 CGBDMO Cc1[nH+]ccn1CCCSc1ccc([N+](=O)[O-])cc1 ZINC001348594309 936928001 /nfs/dbraw/zinc/92/80/01/936928001.db2.gz VXERRZRTTYFFPX-UHFFFAOYSA-N 1 1 277.349 3.282 20 5 CGBDMO CC[C@H](C)[C@H](C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])OC ZINC001308588083 928533902 /nfs/dbraw/zinc/53/39/02/928533902.db2.gz ZSCHPNHUSJCDTI-WFASDCNBSA-N 1 1 280.368 3.088 20 5 CGBDMO CCC1(CC)CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001460419987 937530766 /nfs/dbraw/zinc/53/07/66/937530766.db2.gz XSSZSYPAVZLJQY-UHFFFAOYSA-N 1 1 277.368 3.392 20 5 CGBDMO CCOc1cc(C[N@@H+](C)C[C@@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC001460517263 937534100 /nfs/dbraw/zinc/53/41/00/937534100.db2.gz NAEOBLITHYCDGH-ZDUSSCGKSA-N 1 1 292.379 3.471 20 5 CGBDMO Cc1c(C)c([N+](=O)[O-])ccc1OC1C[NH+](C(C)(C)C)C1 ZINC001229880349 932497937 /nfs/dbraw/zinc/49/79/37/932497937.db2.gz BFJBHYMQNIDSHZ-UHFFFAOYSA-N 1 1 278.352 3.073 20 5 CGBDMO CC[NH+]1CC(Oc2cccc(-c3cccc([N+](=O)[O-])c3)c2)C1 ZINC001230938913 932645540 /nfs/dbraw/zinc/64/55/40/932645540.db2.gz KVJZMQKJEYHVGG-UHFFFAOYSA-N 1 1 298.342 3.345 20 5 CGBDMO Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001231059038 932668684 /nfs/dbraw/zinc/66/86/84/932668684.db2.gz FRNWHVDADKPGHU-BTTYYORXSA-N 1 1 290.363 3.216 20 5 CGBDMO C[C@H]([NH2+]Cc1cc(F)ncc1F)c1ccc([N+](=O)[O-])cc1 ZINC001462580625 937652058 /nfs/dbraw/zinc/65/20/58/937652058.db2.gz UEBOUAQRDXIZGG-VIFPVBQESA-N 1 1 293.273 3.119 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](C)C1 ZINC001308724813 933165603 /nfs/dbraw/zinc/16/56/03/933165603.db2.gz YLEYFERTKLZXON-NSHDSACASA-N 1 1 262.353 3.444 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)C1(C)C ZINC001318960254 933802549 /nfs/dbraw/zinc/80/25/49/933802549.db2.gz VADUOSFTNFOOBE-UHFFFAOYSA-N 1 1 278.352 3.224 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)C1(C)C ZINC001318960254 933802556 /nfs/dbraw/zinc/80/25/56/933802556.db2.gz VADUOSFTNFOOBE-UHFFFAOYSA-N 1 1 278.352 3.224 20 5 CGBDMO CC[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC001473402594 937805127 /nfs/dbraw/zinc/80/51/27/937805127.db2.gz LMBLDNKRLOCEAR-CHWSQXEVSA-N 1 1 278.352 3.094 20 5 CGBDMO CC[N@H+]1CCC[C@@H](CNc2cccc(C)c2[N+](=O)[O-])C1 ZINC001333671592 935559598 /nfs/dbraw/zinc/55/95/98/935559598.db2.gz LEEMCIFHUIDWOX-ZDUSSCGKSA-N 1 1 277.368 3.047 20 5 CGBDMO CCC[C@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001473859309 937825295 /nfs/dbraw/zinc/82/52/95/937825295.db2.gz GURYLALAXONVOM-ZDUSSCGKSA-N 1 1 266.316 3.498 20 5 CGBDMO CC(C)[C@H]1CCCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001559689416 938232957 /nfs/dbraw/zinc/23/29/57/938232957.db2.gz OMMWUVKTWPKEJB-CQSZACIVSA-N 1 1 277.368 3.390 20 5 CGBDMO CCN(CC)C[C@H](C)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001560319527 938252909 /nfs/dbraw/zinc/25/29/09/938252909.db2.gz LAUHNKMTDUURBW-ZDUSSCGKSA-N 1 1 293.411 3.032 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccncc1F ZINC000337949006 214326806 /nfs/dbraw/zinc/32/68/06/214326806.db2.gz ZUUMUCHHRMKETG-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO Cc1ccc(C[NH+]2CC(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000590969224 346892070 /nfs/dbraw/zinc/89/20/70/346892070.db2.gz SOWAUNLIHIUAEH-UHFFFAOYSA-N 1 1 288.269 3.287 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000591063441 346898426 /nfs/dbraw/zinc/89/84/26/346898426.db2.gz ZZFHIINHLKLSTG-AWEZNQCLSA-N 1 1 290.363 3.225 20 5 CGBDMO CC[C@H]([NH2+]Cc1ccncc1F)c1cccc([N+](=O)[O-])c1 ZINC000449176405 529633457 /nfs/dbraw/zinc/63/34/57/529633457.db2.gz SPQGUHBNVQLEIG-HNNXBMFYSA-N 1 1 289.310 3.370 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(CF)CC2)c1 ZINC000294996518 199290171 /nfs/dbraw/zinc/29/01/71/199290171.db2.gz HZMZLUSOYZRSGS-UHFFFAOYSA-N 1 1 286.734 3.430 20 5 CGBDMO CCC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054271577 345131873 /nfs/dbraw/zinc/13/18/73/345131873.db2.gz JBGFFFZOKCRMQN-UHFFFAOYSA-N 1 1 254.355 3.278 20 5 CGBDMO CC(C)[C@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000063619208 345250173 /nfs/dbraw/zinc/25/01/73/345250173.db2.gz XRMDVUPIFSPXBK-MRXNPFEDSA-N 1 1 292.379 3.484 20 5 CGBDMO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000065298860 345270752 /nfs/dbraw/zinc/27/07/52/345270752.db2.gz OJQDZHYYHTTXMX-LBPRGKRZSA-N 1 1 250.342 3.461 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](CO)CC1 ZINC000293102208 346430739 /nfs/dbraw/zinc/43/07/39/346430739.db2.gz LBZZDXDBGOAHKS-KGLIPLIRSA-N 1 1 292.379 3.059 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H]2C2CC2)c(F)c1 ZINC000586762788 346732817 /nfs/dbraw/zinc/73/28/17/346732817.db2.gz OUAYEJRUYUNHIQ-AWEZNQCLSA-N 1 1 282.290 3.247 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H]2C2CC2)c(F)c1 ZINC000586762788 346732820 /nfs/dbraw/zinc/73/28/20/346732820.db2.gz OUAYEJRUYUNHIQ-AWEZNQCLSA-N 1 1 282.290 3.247 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H]2C2CC2)c(F)c1 ZINC000586762789 346733237 /nfs/dbraw/zinc/73/32/37/346733237.db2.gz OUAYEJRUYUNHIQ-CQSZACIVSA-N 1 1 282.290 3.247 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H]2C2CC2)c(F)c1 ZINC000586762789 346733239 /nfs/dbraw/zinc/73/32/39/346733239.db2.gz OUAYEJRUYUNHIQ-CQSZACIVSA-N 1 1 282.290 3.247 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593694886 347104484 /nfs/dbraw/zinc/10/44/84/347104484.db2.gz DMRFRMUKAULDJI-PKXJPQMGSA-N 1 1 294.301 3.339 20 5 CGBDMO Cc1noc(C[N@H+]2CCC[C@H]2C2CCCCC2)c1[N+](=O)[O-] ZINC000595298860 347289427 /nfs/dbraw/zinc/28/94/27/347289427.db2.gz UIABOBOWQNRYJD-ZDUSSCGKSA-N 1 1 293.367 3.436 20 5 CGBDMO CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCC1 ZINC000595323065 347291689 /nfs/dbraw/zinc/29/16/89/347291689.db2.gz WMHZBYYJOXXCKK-UHFFFAOYSA-N 1 1 252.289 3.108 20 5 CGBDMO Cc1noc(C[N@H+](C)C2CCC(C)(C)CC2)c1[N+](=O)[O-] ZINC000595340086 347293980 /nfs/dbraw/zinc/29/39/80/347293980.db2.gz VHVPUOYAZJEEHY-UHFFFAOYSA-N 1 1 281.356 3.292 20 5 CGBDMO CC[C@@H](CC(F)F)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595423299 347300954 /nfs/dbraw/zinc/30/09/54/347300954.db2.gz LTZZWYDSPYJFSJ-JTQLQIEISA-N 1 1 299.321 3.029 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595618983 347328564 /nfs/dbraw/zinc/32/85/64/347328564.db2.gz XLJRRMYSYIKZKY-WBMJQRKESA-N 1 1 290.363 3.157 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595618983 347328566 /nfs/dbraw/zinc/32/85/66/347328566.db2.gz XLJRRMYSYIKZKY-WBMJQRKESA-N 1 1 290.363 3.157 20 5 CGBDMO C[N@H+]1CCN(c2sccc2[N+](=O)[O-])CC12CCCCC2 ZINC000596251653 347405120 /nfs/dbraw/zinc/40/51/20/347405120.db2.gz UUYCSVCHIWSCQC-UHFFFAOYSA-N 1 1 295.408 3.111 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000596306950 347414038 /nfs/dbraw/zinc/41/40/38/347414038.db2.gz JXTDQHHNGOUZFJ-LLVKDONJSA-N 1 1 295.358 3.266 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000596305899 347414058 /nfs/dbraw/zinc/41/40/58/347414058.db2.gz CMQYKGMTYTWYPH-SNVBAGLBSA-N 1 1 283.397 3.189 20 5 CGBDMO CC[N@H+]1CCC[C@H](CNc2cc(C)sc2[N+](=O)[O-])C1 ZINC000596095350 347382633 /nfs/dbraw/zinc/38/26/33/347382633.db2.gz PLAJGYZSHSSRPK-LLVKDONJSA-N 1 1 283.397 3.109 20 5 CGBDMO O=[N+]([O-])c1sccc1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596569984 347481041 /nfs/dbraw/zinc/48/10/41/347481041.db2.gz FDWLEMIGQUREPV-LBPRGKRZSA-N 1 1 295.408 3.190 20 5 CGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+]2C2CCCC2)c(F)c1 ZINC000599163056 347722043 /nfs/dbraw/zinc/72/20/43/347722043.db2.gz ANKNRMIWENBXHH-ZDUSSCGKSA-N 1 1 293.342 3.163 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552801 347753538 /nfs/dbraw/zinc/75/35/38/347753538.db2.gz IUTPOHBKFKJRAA-MNOVXSKESA-N 1 1 296.367 3.204 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000599553717 347754430 /nfs/dbraw/zinc/75/44/30/347754430.db2.gz ZGFFPHPHZXWCRI-CABCVRRESA-N 1 1 292.404 3.107 20 5 CGBDMO O=[N+]([O-])c1ccc(Cn2cc[nH+]c2C2CC2)c(Cl)c1 ZINC000600610421 347814022 /nfs/dbraw/zinc/81/40/22/347814022.db2.gz HCUFMCJZQMIIBP-UHFFFAOYSA-N 1 1 277.711 3.370 20 5 CGBDMO CC(C)[N@H+]1CCC[C@@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000601108906 347870374 /nfs/dbraw/zinc/87/03/74/347870374.db2.gz OKPNBKKGVCTQQO-NSHDSACASA-N 1 1 283.397 3.189 20 5 CGBDMO C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCS1 ZINC000601113988 347871156 /nfs/dbraw/zinc/87/11/56/347871156.db2.gz LOUOTJUNXHLWPA-SNVBAGLBSA-N 1 1 289.360 3.085 20 5 CGBDMO CC(C)(F)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000601137388 347874039 /nfs/dbraw/zinc/87/40/39/347874039.db2.gz XANLRHBVPCUGHY-UHFFFAOYSA-N 1 1 292.257 3.034 20 5 CGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H](C(F)F)C3)c2c1 ZINC000601159513 347876220 /nfs/dbraw/zinc/87/62/20/347876220.db2.gz JCXMQEWDEMDSKM-SECBINFHSA-N 1 1 293.273 3.234 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[NH+]2CCCCCC2)c(F)c1 ZINC000351911143 219245419 /nfs/dbraw/zinc/24/54/19/219245419.db2.gz QRXHKALUZNAPJG-UHFFFAOYSA-N 1 1 270.279 3.249 20 5 CGBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000608788509 348326920 /nfs/dbraw/zinc/32/69/20/348326920.db2.gz DDGKZJUBCDXORX-CYBMUJFWSA-N 1 1 292.383 3.056 20 5 CGBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610215246 348366958 /nfs/dbraw/zinc/36/69/58/348366958.db2.gz HAVBRJYTWGAPPV-UONOGXRCSA-N 1 1 292.379 3.484 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000610215395 348367390 /nfs/dbraw/zinc/36/73/90/348367390.db2.gz PBDAXBMYGNDUGJ-KGLIPLIRSA-N 1 1 292.379 3.484 20 5 CGBDMO COc1cc(C[N@H+](C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000351971044 219271257 /nfs/dbraw/zinc/27/12/57/219271257.db2.gz NOQLMTZUBPYAQQ-UHFFFAOYSA-N 1 1 292.360 3.297 20 5 CGBDMO COc1cc(C[N@@H+](C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000351971044 219271259 /nfs/dbraw/zinc/27/12/59/219271259.db2.gz NOQLMTZUBPYAQQ-UHFFFAOYSA-N 1 1 292.360 3.297 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCOC(C)(C)C ZINC000612578841 348529831 /nfs/dbraw/zinc/52/98/31/348529831.db2.gz RWVJJBAXIQLTFD-UHFFFAOYSA-N 1 1 280.368 3.150 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@H]1C ZINC000339567056 215247487 /nfs/dbraw/zinc/24/74/87/215247487.db2.gz KKKXLRQAPOCWLU-NWDGAFQWSA-N 1 1 278.352 3.222 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)[C@H]1C ZINC000339567056 215247489 /nfs/dbraw/zinc/24/74/89/215247489.db2.gz KKKXLRQAPOCWLU-NWDGAFQWSA-N 1 1 278.352 3.222 20 5 CGBDMO COCC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000292161101 198186448 /nfs/dbraw/zinc/18/64/48/198186448.db2.gz OMLQKKKULSKVTL-UHFFFAOYSA-N 1 1 286.759 3.105 20 5 CGBDMO COCC(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000292161101 198186450 /nfs/dbraw/zinc/18/64/50/198186450.db2.gz OMLQKKKULSKVTL-UHFFFAOYSA-N 1 1 286.759 3.105 20 5 CGBDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000292359870 198258281 /nfs/dbraw/zinc/25/82/81/198258281.db2.gz IBFNENURLXMOJL-GFCCVEGCSA-N 1 1 298.383 3.309 20 5 CGBDMO CCc1[nH+]ccn1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000158580692 188383307 /nfs/dbraw/zinc/38/33/07/188383307.db2.gz ILPACCOYVOZEAM-UHFFFAOYSA-N 1 1 299.252 3.421 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccn(C)n2)cc1[N+](=O)[O-] ZINC000414099403 235336025 /nfs/dbraw/zinc/33/60/25/235336025.db2.gz UMWIDKQNCIMJHW-VXGBXAGGSA-N 1 1 288.351 3.049 20 5 CGBDMO CCN(CC)[C@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000127577961 138389600 /nfs/dbraw/zinc/38/96/00/138389600.db2.gz IUVKOVNIDQHDKZ-TZMCWYRMSA-N 1 1 293.411 3.284 20 5 CGBDMO CO[C@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)C1CC1 ZINC000425411644 236245090 /nfs/dbraw/zinc/24/50/90/236245090.db2.gz YWTTVVRXIYRBIT-MRXNPFEDSA-N 1 1 292.379 3.230 20 5 CGBDMO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296224250 199823718 /nfs/dbraw/zinc/82/37/18/199823718.db2.gz ZXCIZAZXUGRERD-RYUDHWBXSA-N 1 1 288.351 3.223 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccccn2)C2CC2)cc1 ZINC000181303055 189293345 /nfs/dbraw/zinc/29/33/45/189293345.db2.gz NJJQHUBDDROREN-UHFFFAOYSA-N 1 1 283.331 3.154 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000181303055 189293346 /nfs/dbraw/zinc/29/33/46/189293346.db2.gz NJJQHUBDDROREN-UHFFFAOYSA-N 1 1 283.331 3.154 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@](C)(F)C1 ZINC000451122758 240224415 /nfs/dbraw/zinc/22/44/15/240224415.db2.gz SPXBIWBMJXQAQH-FZMZJTMJSA-N 1 1 266.316 3.480 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@](C)(F)C1 ZINC000451122758 240224417 /nfs/dbraw/zinc/22/44/17/240224417.db2.gz SPXBIWBMJXQAQH-FZMZJTMJSA-N 1 1 266.316 3.480 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)cs1 ZINC000335582252 212292905 /nfs/dbraw/zinc/29/29/05/212292905.db2.gz SJYVTRWIMOZRIB-CYBMUJFWSA-N 1 1 298.433 3.375 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@]3(CCSC3)C2)cs1 ZINC000335582252 212292907 /nfs/dbraw/zinc/29/29/07/212292907.db2.gz SJYVTRWIMOZRIB-CYBMUJFWSA-N 1 1 298.433 3.375 20 5 CGBDMO C[C@H]1CCCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000481600298 243200356 /nfs/dbraw/zinc/20/03/56/243200356.db2.gz YSYKHNVOFQKSNJ-ZDUSSCGKSA-N 1 1 278.352 3.096 20 5 CGBDMO CC[C@H](C)C[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000482840239 243245388 /nfs/dbraw/zinc/24/53/88/243245388.db2.gz IWEGFNGWMAXDRP-LBPRGKRZSA-N 1 1 280.368 3.471 20 5 CGBDMO CC[C@H](C)C[N@@H+](CC)CCOc1ccccc1[N+](=O)[O-] ZINC000482891693 243249355 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CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(C)C ZINC000512241208 245027743 /nfs/dbraw/zinc/02/77/43/245027743.db2.gz DJVJXNOTRSCKEQ-GFCCVEGCSA-N 1 1 250.342 3.461 20 5 CGBDMO CC[C@H](NC[C@H](C)[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000131049373 371079848 /nfs/dbraw/zinc/07/98/48/371079848.db2.gz IUKYHCMTPVARMT-LRDDRELGSA-N 1 1 291.395 3.118 20 5 CGBDMO CC[C@H](NC[C@H](C)[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000131049373 371079851 /nfs/dbraw/zinc/07/98/51/371079851.db2.gz IUKYHCMTPVARMT-LRDDRELGSA-N 1 1 291.395 3.118 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCc3ccsc3C2)c1 ZINC000132583967 371186105 /nfs/dbraw/zinc/18/61/05/371186105.db2.gz QGAREKWPFRDVAM-UHFFFAOYSA-N 1 1 274.345 3.215 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCc3ccsc3C2)c1 ZINC000132583967 371186108 /nfs/dbraw/zinc/18/61/08/371186108.db2.gz QGAREKWPFRDVAM-UHFFFAOYSA-N 1 1 274.345 3.215 20 5 CGBDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000134583576 371351395 /nfs/dbraw/zinc/35/13/95/371351395.db2.gz NHAJJOAHDTVSIC-CQSZACIVSA-N 1 1 280.393 3.312 20 5 CGBDMO C[C@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000149434536 371527822 /nfs/dbraw/zinc/52/78/22/371527822.db2.gz XMJXTWCXDKLCGE-ZDUSSCGKSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1C ZINC000220352427 376207877 /nfs/dbraw/zinc/20/78/77/376207877.db2.gz DSMNNXHGFOTCCN-LBPRGKRZSA-N 1 1 265.357 3.045 20 5 CGBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CC=CCC1 ZINC000344080729 217042045 /nfs/dbraw/zinc/04/20/45/217042045.db2.gz ZHERYRZJQGFEMR-LLVKDONJSA-N 1 1 266.366 3.444 20 5 CGBDMO CC[C@]1(C)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000344226989 217108781 /nfs/dbraw/zinc/10/87/81/217108781.db2.gz ZWQJLWPZVIHRLO-CQSZACIVSA-N 1 1 266.316 3.356 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000160103979 372212204 /nfs/dbraw/zinc/21/22/04/372212204.db2.gz JZGGQSOFKKJUEB-KGLIPLIRSA-N 1 1 293.411 3.284 20 5 CGBDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000160103979 372212206 /nfs/dbraw/zinc/21/22/06/372212206.db2.gz JZGGQSOFKKJUEB-KGLIPLIRSA-N 1 1 293.411 3.284 20 5 CGBDMO CCc1noc(C)c1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000292949067 372257673 /nfs/dbraw/zinc/25/76/73/372257673.db2.gz KLIYTYCHFPBUDN-UHFFFAOYSA-N 1 1 289.335 3.052 20 5 CGBDMO C[C@@H]1[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000432143999 372540400 /nfs/dbraw/zinc/54/04/00/372540400.db2.gz TYVJXHJHYFFWIF-MWLCHTKSSA-N 1 1 283.759 3.143 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC1CC(F)(F)C1 ZINC000295310108 372734388 /nfs/dbraw/zinc/73/43/88/372734388.db2.gz KUPRJCZGAGAEJT-UHFFFAOYSA-N 1 1 284.306 3.114 20 5 CGBDMO CC[C@H](C)C[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000171950691 372867894 /nfs/dbraw/zinc/86/78/94/372867894.db2.gz USOZBLWOBHMTTN-NSHDSACASA-N 1 1 266.341 3.081 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000441441625 373014262 /nfs/dbraw/zinc/01/42/62/373014262.db2.gz RWNIBKYCXQPRLK-WFASDCNBSA-N 1 1 290.363 3.368 20 5 CGBDMO C[C@]12CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]1C2(F)F ZINC000298417173 373322000 /nfs/dbraw/zinc/32/20/00/373322000.db2.gz XLIVDYQXMZOLRA-OLZOCXBDSA-N 1 1 282.290 3.072 20 5 CGBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000301113750 373665630 /nfs/dbraw/zinc/66/56/30/373665630.db2.gz KIUGFHFIUJOWLD-CYBMUJFWSA-N 1 1 292.383 3.056 20 5 CGBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000301373886 373763923 /nfs/dbraw/zinc/76/39/23/373763923.db2.gz UXBBKXCYOCSIBK-NSHDSACASA-N 1 1 297.786 3.026 20 5 CGBDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000449493287 373787353 /nfs/dbraw/zinc/78/73/53/373787353.db2.gz LCAIRIWUILOHCX-CZUORRHYSA-N 1 1 292.379 3.150 20 5 CGBDMO C[N@@H+](CCOc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000301603731 373789675 /nfs/dbraw/zinc/78/96/75/373789675.db2.gz CSLCMUGXQPSMKR-UHFFFAOYSA-N 1 1 286.331 3.106 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCC1CC1 ZINC000179251296 373848269 /nfs/dbraw/zinc/84/82/69/373848269.db2.gz RVUBOYUDZAROQX-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000310936424 374229303 /nfs/dbraw/zinc/22/93/03/374229303.db2.gz JVUXWSJQXYEKRN-UHFFFAOYSA-N 1 1 254.305 3.354 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000310927449 374229566 /nfs/dbraw/zinc/22/95/66/374229566.db2.gz IFJMLSXVCDATOF-JTQLQIEISA-N 1 1 254.305 3.354 20 5 CGBDMO C[C@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000453380412 374465793 /nfs/dbraw/zinc/46/57/93/374465793.db2.gz ZLGLADKJDSGYAD-JTQLQIEISA-N 1 1 287.319 3.311 20 5 CGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000185636529 374704890 /nfs/dbraw/zinc/70/48/90/374704890.db2.gz RVWBYZIBCINOLH-WCQYABFASA-N 1 1 278.352 3.224 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3CCC[C@@H]32)cs1 ZINC000335196533 375218745 /nfs/dbraw/zinc/21/87/45/375218745.db2.gz SBWVZNMEMUURPQ-MNOVXSKESA-N 1 1 252.339 3.031 20 5 CGBDMO COC[C@H](C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000189667911 375432495 /nfs/dbraw/zinc/43/24/95/375432495.db2.gz DWOLSCPHLXSGQO-CYBMUJFWSA-N 1 1 280.368 3.088 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000336810630 375963461 /nfs/dbraw/zinc/96/34/61/375963461.db2.gz ISZMNBXRWORMCY-MNOVXSKESA-N 1 1 266.316 3.212 20 5 CGBDMO Cc1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000534511407 375991183 /nfs/dbraw/zinc/99/11/83/375991183.db2.gz XXVRHRWTOQLMBH-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO Cc1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000534511407 375991193 /nfs/dbraw/zinc/99/11/93/375991193.db2.gz XXVRHRWTOQLMBH-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO CC(C)[N@@H+](C)CCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000221678919 376219705 /nfs/dbraw/zinc/21/97/05/376219705.db2.gz DMIBKSLARNHXOK-UHFFFAOYSA-N 1 1 285.775 3.390 20 5 CGBDMO Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000538725953 376260242 /nfs/dbraw/zinc/26/02/42/376260242.db2.gz IWTIYAPSSGXFJM-DGCLKSJQSA-N 1 1 262.353 3.381 20 5 CGBDMO CCC[C@H](C)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000539382008 376307204 /nfs/dbraw/zinc/30/72/04/376307204.db2.gz ZMFQXDCRTZTQCB-LBPRGKRZSA-N 1 1 262.353 3.389 20 5 CGBDMO COc1ccc(C[N@@H+](C)[C@@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000339031237 376636080 /nfs/dbraw/zinc/63/60/80/376636080.db2.gz BNJRBKGAQMFFCW-WCQYABFASA-N 1 1 278.352 3.224 20 5 CGBDMO COc1cc(C[N@@H+](CC2CC2)C(C)C)c([N+](=O)[O-])cc1F ZINC000545223519 376800366 /nfs/dbraw/zinc/80/03/66/376800366.db2.gz OWXCAYAHGUTKOL-UHFFFAOYSA-N 1 1 296.342 3.363 20 5 CGBDMO CCC[C@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000245529726 376841927 /nfs/dbraw/zinc/84/19/27/376841927.db2.gz RVVBVJIEYBNZSX-HIFRSBDPSA-N 1 1 292.379 3.465 20 5 CGBDMO CCC[C@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000245529726 376841932 /nfs/dbraw/zinc/84/19/32/376841932.db2.gz RVVBVJIEYBNZSX-HIFRSBDPSA-N 1 1 292.379 3.465 20 5 CGBDMO COC[C@@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247165749 377169689 /nfs/dbraw/zinc/16/96/89/377169689.db2.gz ZVAHHBFQLDTEIP-QWHCGFSZSA-N 1 1 278.352 3.014 20 5 CGBDMO COc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000247695956 377233796 /nfs/dbraw/zinc/23/37/96/377233796.db2.gz WSJGAGQLKZHGKW-ZIAGYGMSSA-N 1 1 290.363 3.368 20 5 CGBDMO Cc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000280621020 249069395 /nfs/dbraw/zinc/06/93/95/249069395.db2.gz ZUAIVHHKXOYURI-HIFRSBDPSA-N 1 1 292.379 3.029 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000254986776 377721196 /nfs/dbraw/zinc/72/11/96/377721196.db2.gz ZXTGVXGPAQWWSC-MHGHXYCBSA-N 1 1 272.348 3.340 20 5 CGBDMO COCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(C)C ZINC000255396604 377756665 /nfs/dbraw/zinc/75/66/65/377756665.db2.gz MIRLYIJDLIXIEX-VURMDHGXSA-N 1 1 292.379 3.212 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccn1 ZINC000264282851 377972204 /nfs/dbraw/zinc/97/22/04/377972204.db2.gz PDXOAANPNPKPTQ-GFCCVEGCSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccn1 ZINC000264282851 377972206 /nfs/dbraw/zinc/97/22/06/377972206.db2.gz PDXOAANPNPKPTQ-GFCCVEGCSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269697568 378256016 /nfs/dbraw/zinc/25/60/16/378256016.db2.gz XGIWYXAGFHUTHS-XPKDYRNWSA-N 1 1 292.379 3.139 20 5 CGBDMO CCc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000348333129 378914863 /nfs/dbraw/zinc/91/48/63/378914863.db2.gz CEVVHMNUSVYWTO-UHFFFAOYSA-N 1 1 299.374 3.227 20 5 CGBDMO C[N@@H+](CCCc1ccncc1)CCc1ccccc1[N+](=O)[O-] ZINC000352571662 379863093 /nfs/dbraw/zinc/86/30/93/379863093.db2.gz XLQXYOJRNYXNIQ-UHFFFAOYSA-N 1 1 299.374 3.097 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1CC ZINC000352649610 379889836 /nfs/dbraw/zinc/88/98/36/379889836.db2.gz MAMBHJWSQAEZHJ-CYBMUJFWSA-N 1 1 278.352 3.368 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@](C)(F)C1 ZINC000352768703 379950217 /nfs/dbraw/zinc/95/02/17/379950217.db2.gz IUUUAJNFMINHGX-BXUZGUMPSA-N 1 1 266.316 3.398 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@](C)(F)C1 ZINC000352768703 379950224 /nfs/dbraw/zinc/95/02/24/379950224.db2.gz IUUUAJNFMINHGX-BXUZGUMPSA-N 1 1 266.316 3.398 20 5 CGBDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352785240 379958539 /nfs/dbraw/zinc/95/85/39/379958539.db2.gz VPXQLLVCRZKLLO-AAEUAGOBSA-N 1 1 278.352 3.366 20 5 CGBDMO CO[C@H](C)C[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000354439297 380438769 /nfs/dbraw/zinc/43/87/69/380438769.db2.gz BOEBYJQUCBPFPG-GFCCVEGCSA-N 1 1 280.368 3.149 20 5 CGBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000418112180 380702342 /nfs/dbraw/zinc/70/23/42/380702342.db2.gz BADDUBKDVKAPEF-KXUCPTDWSA-N 1 1 254.355 3.133 20 5 CGBDMO COCCCC[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000419378096 380822490 /nfs/dbraw/zinc/82/24/90/380822490.db2.gz CREMSBDKXUHHTM-CYBMUJFWSA-N 1 1 280.368 3.323 20 5 CGBDMO CC[C@H]1C[C@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000356984930 380970955 /nfs/dbraw/zinc/97/09/55/380970955.db2.gz ILLPAXLGSLUMBG-HIFRSBDPSA-N 1 1 292.379 3.232 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C)[C@H]1C ZINC000357729997 381268394 /nfs/dbraw/zinc/26/83/94/381268394.db2.gz KLNRYGLINVNXKW-NWDGAFQWSA-N 1 1 278.352 3.224 20 5 CGBDMO Cc1ccc2c(c1)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000361600769 381829841 /nfs/dbraw/zinc/82/98/41/381829841.db2.gz CWQJWWYBXJGCFF-UHFFFAOYSA-N 1 1 298.342 3.298 20 5 CGBDMO Cc1ccc2c(c1)C[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000361600769 381829851 /nfs/dbraw/zinc/82/98/51/381829851.db2.gz CWQJWWYBXJGCFF-UHFFFAOYSA-N 1 1 298.342 3.298 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000247520245 285112598 /nfs/dbraw/zinc/11/25/98/285112598.db2.gz NIBZRIXZXZSROZ-DZGCQCFKSA-N 1 1 260.337 3.359 20 5 CGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000441441951 285164589 /nfs/dbraw/zinc/16/45/89/285164589.db2.gz CMHAKHSZYQYNCX-UONOGXRCSA-N 1 1 290.363 3.238 20 5 CGBDMO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000281770351 195374018 /nfs/dbraw/zinc/37/40/18/195374018.db2.gz SITDMSZVNWRAMZ-GWCFXTLKSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000281770351 195374020 /nfs/dbraw/zinc/37/40/20/195374020.db2.gz SITDMSZVNWRAMZ-GWCFXTLKSA-N 1 1 298.770 3.248 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]1C ZINC000470174911 533406779 /nfs/dbraw/zinc/40/67/79/533406779.db2.gz NVSJNCAXAIVNEY-CNELAYHGSA-N 1 1 260.337 3.482 20 5 CGBDMO C[N@H+](CC[C@@H]1CCCO1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000191060262 130178753 /nfs/dbraw/zinc/17/87/53/130178753.db2.gz PQLHYCIPLHBPHD-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO C[N@@H+](CC[C@@H]1CCCO1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000191060262 130178756 /nfs/dbraw/zinc/17/87/56/130178756.db2.gz PQLHYCIPLHBPHD-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[NH+]1CC(c2ccccc2F)C1 ZINC000361239105 392261344 /nfs/dbraw/zinc/26/13/44/392261344.db2.gz SPAOXPHRWLSZNL-UHFFFAOYSA-N 1 1 286.306 3.333 20 5 CGBDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000374675182 392688421 /nfs/dbraw/zinc/68/84/21/392688421.db2.gz DYGGRHDREOQLNV-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000375098423 392738755 /nfs/dbraw/zinc/73/87/55/392738755.db2.gz XWIXVCRMNFIDRH-OAHLLOKOSA-N 1 1 292.379 3.152 20 5 CGBDMO CCC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505813169 392699457 /nfs/dbraw/zinc/69/94/57/392699457.db2.gz AIAPTVORNKQLAF-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO C[C@H]1CC[C@@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000190738957 392818088 /nfs/dbraw/zinc/81/80/88/392818088.db2.gz OVXFQFNJTKHJQV-LRDDRELGSA-N 1 1 290.363 3.127 20 5 CGBDMO CC[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000522711322 392932040 /nfs/dbraw/zinc/93/20/40/392932040.db2.gz VMXDYEQQSMBHDX-AWEZNQCLSA-N 1 1 292.379 3.486 20 5 CGBDMO CCOc1cc(NCCC[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000221016498 393004399 /nfs/dbraw/zinc/00/43/99/393004399.db2.gz MMPJXHLUOJNCQS-UHFFFAOYSA-N 1 1 295.383 3.136 20 5 CGBDMO CC[C@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000470172317 393229439 /nfs/dbraw/zinc/22/94/39/393229439.db2.gz VCWLKWFNBWBBKG-OVHOFWQVSA-N 1 1 290.363 3.109 20 5 CGBDMO CC[C@H]1C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000470172317 393229446 /nfs/dbraw/zinc/22/94/46/393229446.db2.gz VCWLKWFNBWBBKG-OVHOFWQVSA-N 1 1 290.363 3.109 20 5 CGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000353783511 393231910 /nfs/dbraw/zinc/23/19/10/393231910.db2.gz XSNHZONLYMPEFD-GJZGRUSLSA-N 1 1 292.379 3.230 20 5 CGBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000353948516 393235353 /nfs/dbraw/zinc/23/53/53/393235353.db2.gz VIMBGULZBSLPHG-ZBFHGGJFSA-N 1 1 292.379 3.230 20 5 CGBDMO C[C@@H]1CC[C@@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000429555452 393477202 /nfs/dbraw/zinc/47/72/02/393477202.db2.gz FJZYIWYESCOEBT-CHWSQXEVSA-N 1 1 278.352 3.094 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000430215386 393540469 /nfs/dbraw/zinc/54/04/69/393540469.db2.gz GPMWPLHJHZNEIT-IUODEOHRSA-N 1 1 290.363 3.368 20 5 CGBDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000429577285 393486392 /nfs/dbraw/zinc/48/63/92/393486392.db2.gz FFAKXPSDSPQHCP-KOLCDFICSA-N 1 1 254.355 3.277 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)CC[C@@H]1C ZINC000430234729 393546096 /nfs/dbraw/zinc/54/60/96/393546096.db2.gz BDAWKLUPYGNNKI-RYUDHWBXSA-N 1 1 278.352 3.224 20 5 CGBDMO Cc1cccnc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000093191292 165326872 /nfs/dbraw/zinc/32/68/72/165326872.db2.gz ADQQVZIHJPWEKX-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1cccnc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000093191292 165326876 /nfs/dbraw/zinc/32/68/76/165326876.db2.gz ADQQVZIHJPWEKX-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000119325708 287168272 /nfs/dbraw/zinc/16/82/72/287168272.db2.gz SKJHWZHMWVIUHW-PHIMTYICSA-N 1 1 280.755 3.480 20 5 CGBDMO C[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037910713 173844151 /nfs/dbraw/zinc/84/41/51/173844151.db2.gz KGQYYBFKPVGNTA-SECBINFHSA-N 1 1 254.717 3.233 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[NH+]1CCCCC1 ZINC000128246130 287306813 /nfs/dbraw/zinc/30/68/13/287306813.db2.gz QFXFCNGULKZAJL-AWEZNQCLSA-N 1 1 291.395 3.040 20 5 CGBDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000040624118 270029958 /nfs/dbraw/zinc/02/99/58/270029958.db2.gz DAGWFQAYMHKWLD-NSHDSACASA-N 1 1 297.786 3.390 20 5 CGBDMO C[N@@H+](Cc1cccc(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000042977255 270033512 /nfs/dbraw/zinc/03/35/12/270033512.db2.gz DGDNSRSXGGQTRD-UHFFFAOYSA-N 1 1 274.295 3.366 20 5 CGBDMO CC(C)[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000522712163 270106972 /nfs/dbraw/zinc/10/69/72/270106972.db2.gz FVKFJISVRFMZNR-INIZCTEOSA-N 1 1 292.379 3.484 20 5 CGBDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000171921432 274279217 /nfs/dbraw/zinc/27/92/17/274279217.db2.gz QUGKFFGSYAPGMI-LBPRGKRZSA-N 1 1 271.320 3.183 20 5 CGBDMO CC[C@@H]([NH2+]Cc1cnc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000397984811 288037092 /nfs/dbraw/zinc/03/70/92/288037092.db2.gz INXXQECYXIBGLW-CQSZACIVSA-N 1 1 275.308 3.132 20 5 CGBDMO CC[C@@H](C)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554833539 289312712 /nfs/dbraw/zinc/31/27/12/289312712.db2.gz NNVCYNREUZORBQ-GFCCVEGCSA-N 1 1 250.342 3.115 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)C[N@H+](C)C(C)C ZINC000554993435 289322674 /nfs/dbraw/zinc/32/26/74/289322674.db2.gz APOIXXXFWMOXQV-KBPBESRZSA-N 1 1 293.411 3.283 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CN(C)C(C)C ZINC000554993435 289322677 /nfs/dbraw/zinc/32/26/77/289322677.db2.gz APOIXXXFWMOXQV-KBPBESRZSA-N 1 1 293.411 3.283 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000577570276 335370569 /nfs/dbraw/zinc/37/05/69/335370569.db2.gz SVXKBROQWXRKEA-LLVKDONJSA-N 1 1 280.368 3.470 20 5 CGBDMO Cc1cc[nH+]c(N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000182638748 335832874 /nfs/dbraw/zinc/83/28/74/335832874.db2.gz HJLMZKVIWGQVFD-NSHDSACASA-N 1 1 257.293 3.471 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000362437482 534222514 /nfs/dbraw/zinc/22/25/14/534222514.db2.gz KCLXDZYEJWCBJU-OLZOCXBDSA-N 1 1 278.352 3.094 20 5 CGBDMO CC(C)[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774312 519811792 /nfs/dbraw/zinc/81/17/92/519811792.db2.gz DEFQTFDMBHXXTF-JTQLQIEISA-N 1 1 254.305 3.210 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177517596 534886877 /nfs/dbraw/zinc/88/68/77/534886877.db2.gz UXOWENHQWUFKPD-BETUJISGSA-N 1 1 260.337 3.217 20 5 CGBDMO CCCC1CCC([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000362160299 528069861 /nfs/dbraw/zinc/06/98/61/528069861.db2.gz FVYFIUYBZCYNQS-UHFFFAOYSA-N 1 1 294.399 3.082 20 5 CGBDMO CC(C)[N@H+]1CCCC[C@H]1CSc1ccc([N+](=O)[O-])cn1 ZINC000412996147 529004885 /nfs/dbraw/zinc/00/48/85/529004885.db2.gz DQDJDCBELXBEHN-ZDUSSCGKSA-N 1 1 295.408 3.345 20 5 CGBDMO CC(C)C[N@@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728899894 571846730 /nfs/dbraw/zinc/84/67/30/571846730.db2.gz VVJKXAJUEIKAGE-UHFFFAOYSA-N 1 1 288.351 3.004 20 5 CGBDMO NC(=[NH+]OCc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000734834489 572689262 /nfs/dbraw/zinc/68/92/62/572689262.db2.gz RSBSFQKVNREIMC-UHFFFAOYSA-N 1 1 297.742 3.437 20 5 CGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC3(CCCC3)C2)cc1 ZINC000743864438 572693173 /nfs/dbraw/zinc/69/31/73/572693173.db2.gz JQGFHFODARQMRZ-UHFFFAOYSA-N 1 1 290.363 3.240 20 5 CGBDMO CCCC[N@@H+](Cn1nccc1[N+](=O)[O-])C1CCCCC1 ZINC000746045583 572848176 /nfs/dbraw/zinc/84/81/76/572848176.db2.gz VYJVRFHSGSIFIC-UHFFFAOYSA-N 1 1 280.372 3.184 20 5 CGBDMO CC1(C)[C@@H]2C[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000746675257 572891398 /nfs/dbraw/zinc/89/13/98/572891398.db2.gz RPAZZTNYRKUCNL-TXEJJXNPSA-N 1 1 280.755 3.336 20 5 CGBDMO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000747222387 572919678 /nfs/dbraw/zinc/91/96/78/572919678.db2.gz AUQFLBMDQFBFFP-WDEREUQCSA-N 1 1 297.786 3.451 20 5 CGBDMO CC(C)[N@@H+](C)CCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000218988026 618706179 /nfs/dbraw/zinc/70/61/79/618706179.db2.gz SMJGQHGZXSNTQD-UHFFFAOYSA-N 1 1 299.802 3.068 20 5 CGBDMO CC[C@@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000312178646 619041374 /nfs/dbraw/zinc/04/13/74/619041374.db2.gz JSDSWASQTZWSEQ-GFCCVEGCSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000312178646 619041376 /nfs/dbraw/zinc/04/13/76/619041376.db2.gz JSDSWASQTZWSEQ-GFCCVEGCSA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 ZINC000093632672 619207219 /nfs/dbraw/zinc/20/72/19/619207219.db2.gz TZMHOURSEAVPIE-SNVBAGLBSA-N 1 1 291.738 3.494 20 5 CGBDMO COc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000896509435 620015601 /nfs/dbraw/zinc/01/56/01/620015601.db2.gz DXPGOUOIWFSXCU-SNVBAGLBSA-N 1 1 276.292 3.047 20 5 CGBDMO CCO[C@H]1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000897068861 620134258 /nfs/dbraw/zinc/13/42/58/620134258.db2.gz ZYJSIKUCCSTWNO-OVHOFWQVSA-N 1 1 290.363 3.109 20 5 CGBDMO C[N@@H+](Cc1cc(-c2ccccc2[N+](=O)[O-])no1)C(C)(C)C ZINC000901393752 620873241 /nfs/dbraw/zinc/87/32/41/620873241.db2.gz CALAQMNYTYSSCA-UHFFFAOYSA-N 1 1 289.335 3.480 20 5 CGBDMO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nn1C ZINC000903288560 621671391 /nfs/dbraw/zinc/67/13/91/621671391.db2.gz YMPJNRBXELCIKU-NEPJUHHUSA-N 1 1 288.351 3.049 20 5 CGBDMO CC[C@H](C)[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174842683 624273540 /nfs/dbraw/zinc/27/35/40/624273540.db2.gz UQHQGKVNEYXLKE-VIFPVBQESA-N 1 1 256.733 3.479 20 5 CGBDMO CC[N@@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000920256464 624463693 /nfs/dbraw/zinc/46/36/93/624463693.db2.gz IFYBRCXSMPVHRA-UHFFFAOYSA-N 1 1 285.347 3.054 20 5 CGBDMO CC[C@H](C)C[N@@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000179547011 624663707 /nfs/dbraw/zinc/66/37/07/624663707.db2.gz JJOYGEIVRTYUSS-NSHDSACASA-N 1 1 290.367 3.188 20 5 CGBDMO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000839665107 626773125 /nfs/dbraw/zinc/77/31/25/626773125.db2.gz ZENYREAUNDCIKU-HNNXBMFYSA-N 1 1 292.379 3.139 20 5 CGBDMO CCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761511279 627047435 /nfs/dbraw/zinc/04/74/35/627047435.db2.gz QDQGRWPWRBYCSQ-UHFFFAOYSA-N 1 1 256.733 3.480 20 5 CGBDMO Cc1nn(C[N@H+](C)[C@H](C)C(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000764884787 627231533 /nfs/dbraw/zinc/23/15/33/627231533.db2.gz JTVRQIQPOXZNIA-GFCCVEGCSA-N 1 1 290.367 3.187 20 5 CGBDMO CC(C)C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582546 628221274 /nfs/dbraw/zinc/22/12/74/628221274.db2.gz VESRHNFNICOZHC-HZPDHXFCSA-N 1 1 292.379 3.139 20 5 CGBDMO CC1=CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777957748 628314160 /nfs/dbraw/zinc/31/41/60/628314160.db2.gz LBEHFRHDKIFKOT-UHFFFAOYSA-N 1 1 298.346 3.068 20 5 CGBDMO CC1=CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777957748 628314163 /nfs/dbraw/zinc/31/41/63/628314163.db2.gz LBEHFRHDKIFKOT-UHFFFAOYSA-N 1 1 298.346 3.068 20 5 CGBDMO C[N@@H+](CC[C@@H]1CCOC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000783514176 628720316 /nfs/dbraw/zinc/72/03/16/628720316.db2.gz MHWVSOWZZVGMTC-LLVKDONJSA-N 1 1 298.770 3.107 20 5 CGBDMO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n(C)n1 ZINC000793549784 629481819 /nfs/dbraw/zinc/48/18/19/629481819.db2.gz ZQUCYQHVYBUGFE-RYUDHWBXSA-N 1 1 288.351 3.049 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1CO[NH+]=C(N)CCC(C)C ZINC000797422002 629945493 /nfs/dbraw/zinc/94/54/93/629945493.db2.gz QSGMIERRFYWGMX-UHFFFAOYSA-N 1 1 295.339 3.038 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH+]2CC(C3CC3)C2)cc1Cl ZINC000812775348 631305762 /nfs/dbraw/zinc/30/57/62/631305762.db2.gz KIWIMRHDDLGYNW-UHFFFAOYSA-N 1 1 266.728 3.090 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866581940 633201549 /nfs/dbraw/zinc/20/15/49/633201549.db2.gz FSGRGWJPEOGDEH-BNOWGMLFSA-N 1 1 292.404 3.341 20 5 CGBDMO CCCCOCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872028045 633946812 /nfs/dbraw/zinc/94/68/12/633946812.db2.gz HQUFWWTYDJDQFG-NSHDSACASA-N 1 1 284.331 3.201 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880313408 635971810 /nfs/dbraw/zinc/97/18/10/635971810.db2.gz MVPAEAGDLRXMOG-GFCCVEGCSA-N 1 1 289.360 3.041 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3nccs3)C2)cs1 ZINC000880316787 635973706 /nfs/dbraw/zinc/97/37/06/635973706.db2.gz LGOAMJNQXSIPAH-JTQLQIEISA-N 1 1 295.389 3.102 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](c3nccs3)C2)cs1 ZINC000880316787 635973708 /nfs/dbraw/zinc/97/37/08/635973708.db2.gz LGOAMJNQXSIPAH-JTQLQIEISA-N 1 1 295.389 3.102 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@@H+](C1CC1)C1CCCCC1 ZINC000885955790 637329523 /nfs/dbraw/zinc/32/95/23/637329523.db2.gz AXYIZFKZYGJYJL-UHFFFAOYSA-N 1 1 275.352 3.287 20 5 CGBDMO CC(C)(C)[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886184088 637451433 /nfs/dbraw/zinc/45/14/33/637451433.db2.gz UDICZAVTMXYODE-ZDUSSCGKSA-N 1 1 277.368 3.248 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000886297356 637488508 /nfs/dbraw/zinc/48/85/08/637488508.db2.gz OOXQLHNGIBJDAU-HNNXBMFYSA-N 1 1 298.346 3.016 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cc(C2CC2)no1 ZINC000886684536 637651139 /nfs/dbraw/zinc/65/11/39/637651139.db2.gz NIEIUEXVVODLOJ-AWEZNQCLSA-N 1 1 299.330 3.237 20 5 CGBDMO CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852710880 637697901 /nfs/dbraw/zinc/69/79/01/637697901.db2.gz AJZGAWFEPGBOLY-JGGQBBKZSA-N 1 1 292.379 3.281 20 5 CGBDMO O=[N+]([O-])c1c(F)cccc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000858780114 639021527 /nfs/dbraw/zinc/02/15/27/639021527.db2.gz IXYZGFUDUWARFS-GFCCVEGCSA-N 1 1 293.342 3.163 20 5 CGBDMO O=[N+]([O-])c1cc(Nc2ccc([C@H]3CC[NH2+]C3)cc2)ccc1O ZINC001159775179 806169031 /nfs/dbraw/zinc/16/90/31/806169031.db2.gz CTUYIUXEKVDBFT-LBPRGKRZSA-N 1 1 299.330 3.121 20 5 CGBDMO C[NH+](C)/C=C/c1cc(N[C@H]2CC=CCC2)ncc1[N+](=O)[O-] ZINC001161754465 806444265 /nfs/dbraw/zinc/44/42/65/806444265.db2.gz MPVURXVKPMJFFR-XEHSLEBBSA-N 1 1 288.351 3.043 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)CC12CC2 ZINC001254566175 806452916 /nfs/dbraw/zinc/45/29/16/806452916.db2.gz RJLFAXMMPGOYFA-QWHCGFSZSA-N 1 1 274.364 3.400 20 5 CGBDMO C[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H](C)C1 ZINC001254603021 806460077 /nfs/dbraw/zinc/46/00/77/806460077.db2.gz KLQDNMARJDQJTQ-WQGACYEGSA-N 1 1 274.364 3.182 20 5 CGBDMO CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000036964872 798852779 /nfs/dbraw/zinc/85/27/79/798852779.db2.gz CRUGUHRBVSPVSU-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO C[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000037403722 798867940 /nfs/dbraw/zinc/86/79/40/798867940.db2.gz FFKNQSNTPHKMNH-JTQLQIEISA-N 1 1 268.744 3.480 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000037403722 798867945 /nfs/dbraw/zinc/86/79/45/798867945.db2.gz FFKNQSNTPHKMNH-JTQLQIEISA-N 1 1 268.744 3.480 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)ccc1Cl ZINC000699204270 799858467 /nfs/dbraw/zinc/85/84/67/799858467.db2.gz FTURYMANEKELDH-QWRGUYRKSA-N 1 1 266.728 3.090 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3C[C@H]3C2)ccc1Cl ZINC000699204270 799858473 /nfs/dbraw/zinc/85/84/73/799858473.db2.gz FTURYMANEKELDH-QWRGUYRKSA-N 1 1 266.728 3.090 20 5 CGBDMO Cc1cn(Cc2cc([N+](=O)[O-])ccc2Cl)c(C)[nH+]1 ZINC000715122284 800131355 /nfs/dbraw/zinc/13/13/55/800131355.db2.gz NAMMSRJNMBKUAW-UHFFFAOYSA-N 1 1 265.700 3.110 20 5 CGBDMO C[C@@H]1[C@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000719599490 800244863 /nfs/dbraw/zinc/24/48/63/800244863.db2.gz JQUFRNKOEHHXCB-PSASIEDQSA-N 1 1 285.294 3.037 20 5 CGBDMO CC[N@@H+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC001164400446 806944649 /nfs/dbraw/zinc/94/46/49/806944649.db2.gz DGQLNWPXLGLUNA-LLVKDONJSA-N 1 1 299.321 3.063 20 5 CGBDMO CNC(=O)C[N@@H+](C)Cc1c2ccccc2cc2ccccc21 ZINC001141722900 804665044 /nfs/dbraw/zinc/66/50/44/804665044.db2.gz JMAKLVJPTPNGQE-UHFFFAOYSA-N 1 1 292.382 3.171 20 5 CGBDMO C[N@@H+](Cc1cccc(Cl)c1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169024372 807554481 /nfs/dbraw/zinc/55/44/81/807554481.db2.gz GUMXMFVERYLCAD-OCCSQVGLSA-N 1 1 282.771 3.217 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC001169035812 807555523 /nfs/dbraw/zinc/55/55/23/807555523.db2.gz CKOCEYLEQIHKCX-DGCLKSJQSA-N 1 1 294.782 3.144 20 5 CGBDMO CC1(C)C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169039263 807557745 /nfs/dbraw/zinc/55/77/45/807557745.db2.gz OSEIKYGSLWJAQH-ZFWWWQNUSA-N 1 1 288.391 3.225 20 5 CGBDMO CC[N@@H+](Cc1ccc(C)cc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169050185 807559656 /nfs/dbraw/zinc/55/96/56/807559656.db2.gz ZGDBFQPDMVWOGU-HZPDHXFCSA-N 1 1 276.380 3.262 20 5 CGBDMO C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CCc2ccccc21 ZINC001169054205 807561474 /nfs/dbraw/zinc/56/14/74/807561474.db2.gz KRSLMVRVEAZAAO-XNRPHZJLSA-N 1 1 274.364 3.051 20 5 CGBDMO COc1ccc(C[C@@H](C)[N@@H+](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC001170341520 807827852 /nfs/dbraw/zinc/82/78/52/807827852.db2.gz JTUKXIYLXVIKDW-LLVKDONJSA-N 1 1 280.368 3.265 20 5 CGBDMO COc1ccc(C[C@H](C)[N@@H+](C)CC2CCC2)c([N+](=O)[O-])c1 ZINC001170348463 807827942 /nfs/dbraw/zinc/82/79/42/807827942.db2.gz XESOUIIJBUPVKS-LBPRGKRZSA-N 1 1 292.379 3.266 20 5 CGBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@H]2C)c1F ZINC001173187134 808533609 /nfs/dbraw/zinc/53/36/09/808533609.db2.gz XTRGFSDMCIKJHG-MNOVXSKESA-N 1 1 296.342 3.158 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](C)(CF)C1 ZINC001173222998 808539903 /nfs/dbraw/zinc/53/99/03/808539903.db2.gz WAZLONFUWYNBKE-WFASDCNBSA-N 1 1 280.343 3.207 20 5 CGBDMO CC[C@@](C)(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)OC ZINC001179913625 809956819 /nfs/dbraw/zinc/95/68/19/809956819.db2.gz ATEVOEZBRKAHBC-INIZCTEOSA-N 1 1 292.379 3.374 20 5 CGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1cc(C)ccc1[N+](=O)[O-] ZINC001186627971 810351686 /nfs/dbraw/zinc/35/16/86/810351686.db2.gz WLQTZUUMLHOCKW-ZDUSSCGKSA-N 1 1 279.384 3.436 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC001204976751 812806377 /nfs/dbraw/zinc/80/63/77/812806377.db2.gz RYTQYOAZHHKMQV-MRXNPFEDSA-N 1 1 292.379 3.068 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC001204976751 812806389 /nfs/dbraw/zinc/80/63/89/812806389.db2.gz RYTQYOAZHHKMQV-MRXNPFEDSA-N 1 1 292.379 3.068 20 5 CGBDMO Cc1[nH+]c2ccccn2c1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001210952159 814688549 /nfs/dbraw/zinc/68/85/49/814688549.db2.gz YTDSXIIQCKCCIL-UHFFFAOYSA-N 1 1 286.266 3.434 20 5 CGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001226810335 817472195 /nfs/dbraw/zinc/47/21/95/817472195.db2.gz MTHWJZAJXXDRFU-GFCCVEGCSA-N 1 1 298.770 3.500 20 5 CGBDMO CC[N@H+]1CC[C@H](Oc2c(C)ccc([N+](=O)[O-])c2Cl)C1 ZINC001226990716 817527677 /nfs/dbraw/zinc/52/76/77/817527677.db2.gz XTXRQCQRQNVNIO-JTQLQIEISA-N 1 1 284.743 3.030 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1CC[N@H+](C(C)C)C1 ZINC001228572385 817942303 /nfs/dbraw/zinc/94/23/03/817942303.db2.gz ZYPSTYSUUIEUFN-CQSZACIVSA-N 1 1 278.352 3.073 20 5 CGBDMO COC[C@H]1CC[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232225282 818284872 /nfs/dbraw/zinc/28/48/72/818284872.db2.gz ABYIIGTYKZPXDO-MRXNPFEDSA-N 1 1 293.370 3.004 20 5 CGBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001345043790 936798568 /nfs/dbraw/zinc/79/85/68/936798568.db2.gz UYAOWOUNNRNVGG-UHFFFAOYSA-N 1 1 293.367 3.044 20 5 CGBDMO C[N@H+]1CCC[C@@H](Oc2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC001230917172 928074940 /nfs/dbraw/zinc/07/49/40/928074940.db2.gz HEVODFYUNLBMAH-SNVBAGLBSA-N 1 1 284.743 3.111 20 5 CGBDMO CC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1C ZINC001459993846 928732633 /nfs/dbraw/zinc/73/26/33/928732633.db2.gz VSFIEXADKISIPH-MNOVXSKESA-N 1 1 266.316 3.354 20 5 CGBDMO CC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC001459993966 928732650 /nfs/dbraw/zinc/73/26/50/928732650.db2.gz VSFIEXADKISIPH-WDEREUQCSA-N 1 1 266.316 3.354 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001459921601 937506754 /nfs/dbraw/zinc/50/67/54/937506754.db2.gz GTPGPYXWYRPEAH-GFCCVEGCSA-N 1 1 292.379 3.471 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CC1(C)C ZINC001460511944 937533159 /nfs/dbraw/zinc/53/31/59/937533159.db2.gz ATXCUGHHEIKCOA-LBPRGKRZSA-N 1 1 278.352 3.081 20 5 CGBDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229378854 932141894 /nfs/dbraw/zinc/14/18/94/932141894.db2.gz AVQNGMBUBHKUSY-LBPRGKRZSA-N 1 1 298.770 3.500 20 5 CGBDMO CCC(O)(CC)C[N@@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001308891015 933197109 /nfs/dbraw/zinc/19/71/09/933197109.db2.gz KUMDLWUBBOAEBN-UHFFFAOYSA-N 1 1 294.395 3.195 20 5 CGBDMO CC1(C)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001319022023 933811631 /nfs/dbraw/zinc/81/16/31/933811631.db2.gz HVWNPUYQAZKLAW-UHFFFAOYSA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001473214346 937797634 /nfs/dbraw/zinc/79/76/34/937797634.db2.gz UOMAIQZEGLKRHB-VIFPVBQESA-N 1 1 299.168 3.199 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001473214346 937797636 /nfs/dbraw/zinc/79/76/36/937797636.db2.gz UOMAIQZEGLKRHB-VIFPVBQESA-N 1 1 299.168 3.199 20 5 CGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001474336666 937852390 /nfs/dbraw/zinc/85/23/90/937852390.db2.gz CFZBAUZMHWJLNN-VNHYZAJKSA-N 1 1 274.364 3.463 20 5 CGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC001559183851 960605155 /nfs/dbraw/zinc/60/51/55/960605155.db2.gz LMBONZNNTVFSEV-CQSZACIVSA-N 1 1 295.358 3.266 20 5 CGBDMO CS[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000295046426 199318137 /nfs/dbraw/zinc/31/81/37/199318137.db2.gz NAKAMPYZGAVTNW-NSHDSACASA-N 1 1 286.784 3.186 20 5 CGBDMO CS[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000295046426 199318139 /nfs/dbraw/zinc/31/81/39/199318139.db2.gz NAKAMPYZGAVTNW-NSHDSACASA-N 1 1 286.784 3.186 20 5 CGBDMO C[N@@H+](CCCCNc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000413349091 529883757 /nfs/dbraw/zinc/88/37/57/529883757.db2.gz QLULKZPRTMSGAV-UHFFFAOYSA-N 1 1 281.331 3.020 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000054152540 345129569 /nfs/dbraw/zinc/12/95/69/345129569.db2.gz SPPXJZJSINGXRA-LLVKDONJSA-N 1 1 254.355 3.421 20 5 CGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CCCC1 ZINC000061256046 345228024 /nfs/dbraw/zinc/22/80/24/345228024.db2.gz YHKPYMGQGFQAJO-UHFFFAOYSA-N 1 1 278.352 3.368 20 5 CGBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000064021792 345256719 /nfs/dbraw/zinc/25/67/19/345256719.db2.gz VYMFPHFOEZGSQH-UHFFFAOYSA-N 1 1 292.379 3.486 20 5 CGBDMO C[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000063302473 345245295 /nfs/dbraw/zinc/24/52/95/345245295.db2.gz IJTSSKSBMPABOK-CYBMUJFWSA-N 1 1 262.353 3.259 20 5 CGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccccc1[N+](=O)[O-] ZINC000065586764 345274442 /nfs/dbraw/zinc/27/44/42/345274442.db2.gz FLCNWHLIDGERPD-OLZOCXBDSA-N 1 1 277.368 3.127 20 5 CGBDMO CN1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000069090952 345372823 /nfs/dbraw/zinc/37/28/23/345372823.db2.gz ZQMZWSCQOJLRKW-UHFFFAOYSA-N 1 1 297.358 3.047 20 5 CGBDMO CC(C)CC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000077211890 345560651 /nfs/dbraw/zinc/56/06/51/345560651.db2.gz GHEBVBAUQTUOBQ-UHFFFAOYSA-N 1 1 250.342 3.115 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ccc([N+](=O)[O-])cn1 ZINC000079926336 345658921 /nfs/dbraw/zinc/65/89/21/345658921.db2.gz MUISNFNCAGPSLX-CYBMUJFWSA-N 1 1 292.383 3.056 20 5 CGBDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000091097634 345803727 /nfs/dbraw/zinc/80/37/27/345803727.db2.gz WFVKMWFVBVMGAB-GFCCVEGCSA-N 1 1 298.408 3.177 20 5 CGBDMO C[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000093503397 345882109 /nfs/dbraw/zinc/88/21/09/345882109.db2.gz PTBWKOHEBJUOFS-ZVYZJRAXSA-N 1 1 260.337 3.196 20 5 CGBDMO COc1ccc(C[N@H+]2CCC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000140541021 346104242 /nfs/dbraw/zinc/10/42/42/346104242.db2.gz CZDRRCPGYBMPHJ-CYBMUJFWSA-N 1 1 278.352 3.224 20 5 CGBDMO CCO[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000156067632 346156979 /nfs/dbraw/zinc/15/69/79/346156979.db2.gz RRBBYDROXGKFKX-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000156067632 346156980 /nfs/dbraw/zinc/15/69/80/346156980.db2.gz RRBBYDROXGKFKX-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000261482126 346403276 /nfs/dbraw/zinc/40/32/76/346403276.db2.gz WGFJPYYEJRZTGO-UHFFFAOYSA-N 1 1 278.352 3.096 20 5 CGBDMO CC[C@H](C)C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000303486381 346444692 /nfs/dbraw/zinc/44/46/92/346444692.db2.gz RCCOTDPTNWHUGJ-ZDUSSCGKSA-N 1 1 280.368 3.342 20 5 CGBDMO Cc1cc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(F)cc1[N+](=O)[O-] ZINC000314747078 346482272 /nfs/dbraw/zinc/48/22/72/346482272.db2.gz QNACKZAXFVCWJC-OCCSQVGLSA-N 1 1 293.342 3.081 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595290685 347287196 /nfs/dbraw/zinc/28/71/96/347287196.db2.gz JNCGZJGSGFJBJV-JTQLQIEISA-N 1 1 254.305 3.354 20 5 CGBDMO CCC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595303943 347289064 /nfs/dbraw/zinc/28/90/64/347289064.db2.gz RGFVSECJQAIEIG-UHFFFAOYSA-N 1 1 252.289 3.108 20 5 CGBDMO CC[C@@H]1CCCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595326202 347291919 /nfs/dbraw/zinc/29/19/19/347291919.db2.gz ACLYHBQDOALRFN-LLVKDONJSA-N 1 1 267.329 3.046 20 5 CGBDMO CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595329928 347293136 /nfs/dbraw/zinc/29/31/36/347293136.db2.gz YQAPYPFZTHIPPG-CMPLNLGQSA-N 1 1 281.356 3.292 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595618980 347328812 /nfs/dbraw/zinc/32/88/12/347328812.db2.gz XLJRRMYSYIKZKY-BLLLJJGKSA-N 1 1 290.363 3.157 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595618980 347328814 /nfs/dbraw/zinc/32/88/14/347328814.db2.gz XLJRRMYSYIKZKY-BLLLJJGKSA-N 1 1 290.363 3.157 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000595755531 347350380 /nfs/dbraw/zinc/35/03/80/347350380.db2.gz NKSWDNOJXQPQCJ-LBPRGKRZSA-N 1 1 296.342 3.175 20 5 CGBDMO CC(C)[N@H+]1CCCC[C@@H]1COc1ccccc1[N+](=O)[O-] ZINC000596239159 347402487 /nfs/dbraw/zinc/40/24/87/347402487.db2.gz PCICZOFORBYKBT-CYBMUJFWSA-N 1 1 278.352 3.237 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000596306952 347413917 /nfs/dbraw/zinc/41/39/17/347413917.db2.gz JXTDQHHNGOUZFJ-NSHDSACASA-N 1 1 295.358 3.266 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000596309286 347414717 /nfs/dbraw/zinc/41/47/17/347414717.db2.gz XOBCWZOLCKNDOH-CYBMUJFWSA-N 1 1 277.368 3.188 20 5 CGBDMO Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])s1 ZINC000596083932 347381277 /nfs/dbraw/zinc/38/12/77/347381277.db2.gz ZBWIPYQIIKIIGX-MNOVXSKESA-N 1 1 281.381 3.003 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC2(CC2)CC1 ZINC000599673673 347763942 /nfs/dbraw/zinc/76/39/42/347763942.db2.gz ULVDKQCWCMYPLO-UHFFFAOYSA-N 1 1 260.337 3.361 20 5 CGBDMO CCC(O)(CC)C[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000599673590 347764025 /nfs/dbraw/zinc/76/40/25/347764025.db2.gz QRVLMEUYSAMOGJ-CYBMUJFWSA-N 1 1 294.395 3.447 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000599139833 347720478 /nfs/dbraw/zinc/72/04/78/347720478.db2.gz QTAOHRVNAKUWNM-CYBMUJFWSA-N 1 1 277.368 3.047 20 5 CGBDMO CS[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601169510 347877189 /nfs/dbraw/zinc/87/71/89/347877189.db2.gz BQSLAIXHNORLQL-NSHDSACASA-N 1 1 289.360 3.085 20 5 CGBDMO CC(F)(F)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601170364 347877303 /nfs/dbraw/zinc/87/73/03/347877303.db2.gz PJUXTAJFHJKJPI-UHFFFAOYSA-N 1 1 281.262 3.022 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(C)o1 ZINC000601304063 347890379 /nfs/dbraw/zinc/89/03/79/347890379.db2.gz LFCQGNQTBZFLMU-NSHDSACASA-N 1 1 290.319 3.356 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000602855837 348037704 /nfs/dbraw/zinc/03/77/04/348037704.db2.gz PRCJVSAYHSMLSO-MRXNPFEDSA-N 1 1 297.358 3.369 20 5 CGBDMO CC(C)[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000604435527 348120192 /nfs/dbraw/zinc/12/01/92/348120192.db2.gz NSLLKCQTUYJVPI-OAHLLOKOSA-N 1 1 262.353 3.258 20 5 CGBDMO CC1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C(C)(C)CO1 ZINC000609671990 348350793 /nfs/dbraw/zinc/35/07/93/348350793.db2.gz SVKLCGSLCJLBAV-UHFFFAOYSA-N 1 1 292.379 3.027 20 5 CGBDMO CC(C)C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000610581131 348391248 /nfs/dbraw/zinc/39/12/48/348391248.db2.gz PASVSOAVDSITIR-UHFFFAOYSA-N 1 1 289.335 3.356 20 5 CGBDMO CCO[C@@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000611516481 348458167 /nfs/dbraw/zinc/45/81/67/348458167.db2.gz UKASTXCLTOTHLC-UKRRQHHQSA-N 1 1 292.379 3.465 20 5 CGBDMO CC[N@H+](CCC1CC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351985985 219276596 /nfs/dbraw/zinc/27/65/96/219276596.db2.gz DEYRTOOBKUGUAD-UHFFFAOYSA-N 1 1 284.306 3.495 20 5 CGBDMO CC[N@@H+](CCC1CC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351985985 219276599 /nfs/dbraw/zinc/27/65/99/219276599.db2.gz DEYRTOOBKUGUAD-UHFFFAOYSA-N 1 1 284.306 3.495 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCC2CC2)C2CC2)c1 ZINC000359897174 233390075 /nfs/dbraw/zinc/39/00/75/233390075.db2.gz IQNSPPWGPFWUPP-UHFFFAOYSA-N 1 1 260.337 3.359 20 5 CGBDMO CCc1nc(C)c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000292008349 198132747 /nfs/dbraw/zinc/13/27/47/198132747.db2.gz YJUICFDMNNOJTI-JTQLQIEISA-N 1 1 289.335 3.304 20 5 CGBDMO COCC[C@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000364156824 234024116 /nfs/dbraw/zinc/02/41/16/234024116.db2.gz DKBPCULZYGGPCR-CQSZACIVSA-N 1 1 292.379 3.233 20 5 CGBDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000368665008 234330281 /nfs/dbraw/zinc/33/02/81/234330281.db2.gz AAPDDGCDPVNFFT-CQSZACIVSA-N 1 1 292.379 3.152 20 5 CGBDMO Cc1cc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)nc(C)[nH+]1 ZINC000294902098 199239712 /nfs/dbraw/zinc/23/97/12/199239712.db2.gz IHWPSOXTLFAXAP-JTQLQIEISA-N 1 1 272.308 3.175 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000301573472 201075374 /nfs/dbraw/zinc/07/53/74/201075374.db2.gz PITVCJISFRWOKY-CYBMUJFWSA-N 1 1 277.368 3.047 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1CCNc1sccc1[N+](=O)[O-] ZINC000302031656 201307863 /nfs/dbraw/zinc/30/78/63/201307863.db2.gz SHOWZJOTNNTQFM-NSHDSACASA-N 1 1 283.397 3.333 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](C)(F)C1 ZINC000451112674 240218670 /nfs/dbraw/zinc/21/86/70/240218670.db2.gz IHDDMZWFVJUJEO-FZMZJTMJSA-N 1 1 266.316 3.480 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](C)(F)C1 ZINC000451112674 240218673 /nfs/dbraw/zinc/21/86/73/240218673.db2.gz IHDDMZWFVJUJEO-FZMZJTMJSA-N 1 1 266.316 3.480 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451902171 240380600 /nfs/dbraw/zinc/38/06/00/240380600.db2.gz NWPMWGVOBWNEKF-BBRMVZONSA-N 1 1 290.363 3.158 20 5 CGBDMO COc1cc(C[N@@H+](C)C2CC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000459739517 242200800 /nfs/dbraw/zinc/20/08/00/242200800.db2.gz KQHMYFLYMAICFQ-UHFFFAOYSA-N 1 1 296.342 3.363 20 5 CGBDMO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC(C)(C)C ZINC000462835324 242368179 /nfs/dbraw/zinc/36/81/79/242368179.db2.gz VLYZUQIMHLEKAF-UHFFFAOYSA-N 1 1 280.368 3.471 20 5 CGBDMO Cc1ccc2c(c1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000483663275 243294569 /nfs/dbraw/zinc/29/45/69/243294569.db2.gz RGWNWSGROGWPEQ-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO C[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000033394647 368963684 /nfs/dbraw/zinc/96/36/84/368963684.db2.gz JEORQQLXFZZLLJ-UJZCVKTISA-N 1 1 260.337 3.340 20 5 CGBDMO Cc1c(C[N@H+]2CCOC[C@@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000072979190 369846322 /nfs/dbraw/zinc/84/63/22/369846322.db2.gz KDNIBNIZRFZUHH-HNNXBMFYSA-N 1 1 292.379 3.150 20 5 CGBDMO Cc1c(C[N@@H+]2CCOC[C@@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000072979190 369846325 /nfs/dbraw/zinc/84/63/25/369846325.db2.gz KDNIBNIZRFZUHH-HNNXBMFYSA-N 1 1 292.379 3.150 20 5 CGBDMO C[C@@H]1CCCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000512209137 245025967 /nfs/dbraw/zinc/02/59/67/245025967.db2.gz MVOUUFBALVDSIH-CYBMUJFWSA-N 1 1 278.352 3.238 20 5 CGBDMO CCC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000343988380 217006301 /nfs/dbraw/zinc/00/63/01/217006301.db2.gz WSUMCACRTOLFRF-CQSZACIVSA-N 1 1 277.368 3.190 20 5 CGBDMO Cc1c(Cn2c[nH+]c3c2CCCC3)cccc1[N+](=O)[O-] ZINC000130470060 371036138 /nfs/dbraw/zinc/03/61/38/371036138.db2.gz GBYGRIOCDOQSHG-UHFFFAOYSA-N 1 1 271.320 3.027 20 5 CGBDMO CC[C@H](NC[C@@H](C)[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000131048926 371079915 /nfs/dbraw/zinc/07/99/15/371079915.db2.gz IUKYHCMTPVARMT-WBMJQRKESA-N 1 1 291.395 3.118 20 5 CGBDMO CC[C@H](NC[C@@H](C)[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000131048926 371079919 /nfs/dbraw/zinc/07/99/19/371079919.db2.gz IUKYHCMTPVARMT-WBMJQRKESA-N 1 1 291.395 3.118 20 5 CGBDMO Cc1ccc(C[N@H+](Cc2ccccn2)C2CC2)cc1[N+](=O)[O-] ZINC000290589250 372024906 /nfs/dbraw/zinc/02/49/06/372024906.db2.gz VEOQWEMOPAYQOK-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1ccc(C[N@@H+](Cc2ccccn2)C2CC2)cc1[N+](=O)[O-] ZINC000290589250 372024911 /nfs/dbraw/zinc/02/49/11/372024911.db2.gz VEOQWEMOPAYQOK-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC3(CCC3)C2)cc1 ZINC000344221058 217104709 /nfs/dbraw/zinc/10/47/09/217104709.db2.gz DCGJWFNQELODOB-UHFFFAOYSA-N 1 1 290.363 3.240 20 5 CGBDMO CC[N@@H+](C[C@H](C)OC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000291329215 372161462 /nfs/dbraw/zinc/16/14/62/372161462.db2.gz VPEPLJWRIRLBQT-RYUDHWBXSA-N 1 1 266.341 3.013 20 5 CGBDMO COc1ccc(CNc2cccc(C3CC3)[nH+]2)cc1[N+](=O)[O-] ZINC000293051049 372289179 /nfs/dbraw/zinc/28/91/79/372289179.db2.gz TWPPKORVIOQDPI-UHFFFAOYSA-N 1 1 299.330 3.488 20 5 CGBDMO CC(C)CCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000429055970 372311183 /nfs/dbraw/zinc/31/11/83/372311183.db2.gz XXSUWGBUJOPLIC-UHFFFAOYSA-N 1 1 262.353 3.389 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H]1CF ZINC000293889691 372513056 /nfs/dbraw/zinc/51/30/56/372513056.db2.gz DPVZUVIVWOPDOT-YIALFULDSA-N 1 1 264.300 3.042 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H]1CF ZINC000293889691 372513063 /nfs/dbraw/zinc/51/30/63/372513063.db2.gz DPVZUVIVWOPDOT-YIALFULDSA-N 1 1 264.300 3.042 20 5 CGBDMO CS[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000294437302 372654643 /nfs/dbraw/zinc/65/46/43/372654643.db2.gz QJPQABHCOTYVQO-SNVBAGLBSA-N 1 1 286.784 3.186 20 5 CGBDMO CS[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000294437302 372654649 /nfs/dbraw/zinc/65/46/49/372654649.db2.gz QJPQABHCOTYVQO-SNVBAGLBSA-N 1 1 286.784 3.186 20 5 CGBDMO COc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000172861260 373051087 /nfs/dbraw/zinc/05/10/87/373051087.db2.gz BHBJALOQHOALAZ-NWDGAFQWSA-N 1 1 278.352 3.224 20 5 CGBDMO Cc1c(C[NH+]2CC(C)(C)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000442887667 373119538 /nfs/dbraw/zinc/11/95/38/373119538.db2.gz ZRBGXKRMKMOMJY-UHFFFAOYSA-N 1 1 292.379 3.293 20 5 CGBDMO CC(C)[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000446728742 373347552 /nfs/dbraw/zinc/34/75/52/373347552.db2.gz POXOPOXQBHPXSW-LLVKDONJSA-N 1 1 266.316 3.212 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000298759164 373399619 /nfs/dbraw/zinc/39/96/19/373399619.db2.gz KAJMUAZYSYJJOS-HNNXBMFYSA-N 1 1 271.320 3.260 20 5 CGBDMO COC[C@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000452076434 374226511 /nfs/dbraw/zinc/22/65/11/374226511.db2.gz DZBNUHSBNXDWSB-KBPBESRZSA-N 1 1 292.379 3.404 20 5 CGBDMO C[N@@H+](CCNc1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000312219601 374271810 /nfs/dbraw/zinc/27/18/10/374271810.db2.gz DKUROLQRERDOLW-UHFFFAOYSA-N 1 1 281.331 3.020 20 5 CGBDMO CCOc1cc(C[N@H+]2CC[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000331184528 374512531 /nfs/dbraw/zinc/51/25/31/374512531.db2.gz SKRRTOZQKZECRZ-VXGBXAGGSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331318357 374522261 /nfs/dbraw/zinc/52/22/61/374522261.db2.gz KCFISZKQMMHWHV-SWLSCSKDSA-N 1 1 292.379 3.403 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331318357 374522266 /nfs/dbraw/zinc/52/22/66/374522266.db2.gz KCFISZKQMMHWHV-SWLSCSKDSA-N 1 1 292.379 3.403 20 5 CGBDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000464813159 374903615 /nfs/dbraw/zinc/90/36/15/374903615.db2.gz HMJNKRSLMYTGGE-QWHCGFSZSA-N 1 1 262.353 3.258 20 5 CGBDMO COCC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1C ZINC000487976524 375290283 /nfs/dbraw/zinc/29/02/83/375290283.db2.gz ULRNGSUXNUEIGS-DGCLKSJQSA-N 1 1 298.408 3.293 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)C(C)C ZINC000507187507 375684486 /nfs/dbraw/zinc/68/44/86/375684486.db2.gz KPPUADLIPHGFTJ-GFCCVEGCSA-N 1 1 280.368 3.470 20 5 CGBDMO CC[C@@H](C)C[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509008258 375768673 /nfs/dbraw/zinc/76/86/73/375768673.db2.gz YBIBBWIONNNREM-SECBINFHSA-N 1 1 272.295 3.351 20 5 CGBDMO CC[C@@H](C)C[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509008258 375768679 /nfs/dbraw/zinc/76/86/79/375768679.db2.gz YBIBBWIONNNREM-SECBINFHSA-N 1 1 272.295 3.351 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCC1 ZINC000193698723 375912298 /nfs/dbraw/zinc/91/22/98/375912298.db2.gz KPPDXQDSHIMFCS-UHFFFAOYSA-N 1 1 293.323 3.268 20 5 CGBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000538936689 376278518 /nfs/dbraw/zinc/27/85/18/376278518.db2.gz IUMVJVSPKBNXIG-HIFRSBDPSA-N 1 1 291.395 3.212 20 5 CGBDMO CC[N@@H+](C)CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000226741590 376371787 /nfs/dbraw/zinc/37/17/87/376371787.db2.gz RVRPNDVUIVMUPE-UHFFFAOYSA-N 1 1 292.166 3.265 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000542702601 376570466 /nfs/dbraw/zinc/57/04/66/376570466.db2.gz KRUNACKWQLWNHX-HNNXBMFYSA-N 1 1 294.420 3.477 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000544782216 376760822 /nfs/dbraw/zinc/76/08/22/376760822.db2.gz AZUWCXLBCBZSOV-LBPRGKRZSA-N 1 1 262.353 3.463 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000237933365 376765505 /nfs/dbraw/zinc/76/55/05/376765505.db2.gz KULHHMAPUSFPKU-MRXNPFEDSA-N 1 1 297.358 3.281 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339680873 376805789 /nfs/dbraw/zinc/80/57/89/376805789.db2.gz YGUZGJJXZYVKGU-CYBMUJFWSA-N 1 1 260.337 3.217 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000247517772 377217164 /nfs/dbraw/zinc/21/71/64/377217164.db2.gz NCVXCNRLYUKRMF-DZGCQCFKSA-N 1 1 260.337 3.359 20 5 CGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000341125307 377409077 /nfs/dbraw/zinc/40/90/77/377409077.db2.gz QCAHZOBFYRKSGX-CYBMUJFWSA-N 1 1 294.399 3.139 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCSC[C@@H](C)C1 ZINC000249136228 377470082 /nfs/dbraw/zinc/47/00/82/377470082.db2.gz YSFDPPYNTUSLCP-NWDGAFQWSA-N 1 1 280.393 3.341 20 5 CGBDMO Cc1nc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]c1C ZINC000516585031 249237527 /nfs/dbraw/zinc/23/75/27/249237527.db2.gz INBLKINOMCJUHW-GFCCVEGCSA-N 1 1 288.351 3.094 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341996162 377625709 /nfs/dbraw/zinc/62/57/09/377625709.db2.gz VNJDSRGCSRILFG-XJKSGUPXSA-N 1 1 290.363 3.158 20 5 CGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000343011593 377882203 /nfs/dbraw/zinc/88/22/03/377882203.db2.gz UMBFJQVVYLQEMQ-MRXNPFEDSA-N 1 1 290.363 3.238 20 5 CGBDMO C[C@H]([NH2+]Cc1cc(O)cc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000349568071 379309654 /nfs/dbraw/zinc/30/96/54/379309654.db2.gz KWICYHPEHIVYSI-JTQLQIEISA-N 1 1 290.294 3.290 20 5 CGBDMO C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C ZINC000347607957 218289761 /nfs/dbraw/zinc/28/97/61/218289761.db2.gz UEZNIZDCULVCEL-QWRGUYRKSA-N 1 1 266.316 3.212 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC23CCOCC3)c1 ZINC000376499006 379569214 /nfs/dbraw/zinc/56/92/14/379569214.db2.gz CLIRPIBOJAKQRV-UHFFFAOYSA-N 1 1 296.754 3.003 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC23CCOCC3)c1 ZINC000376499006 379569226 /nfs/dbraw/zinc/56/92/26/379569226.db2.gz CLIRPIBOJAKQRV-UHFFFAOYSA-N 1 1 296.754 3.003 20 5 CGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000267013797 190297421 /nfs/dbraw/zinc/29/74/21/190297421.db2.gz IEVNXWXSUKUCET-UHFFFAOYSA-N 1 1 252.289 3.107 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCOCC1CC1 ZINC000268053159 190372358 /nfs/dbraw/zinc/37/23/58/190372358.db2.gz WNMWDPGCRGPRAK-LBPRGKRZSA-N 1 1 278.352 3.014 20 5 CGBDMO CO[C@H](CC(C)C)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419245419 380788730 /nfs/dbraw/zinc/78/87/30/380788730.db2.gz VSBSMMXXSDDCFW-MRXNPFEDSA-N 1 1 292.379 3.014 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279201639 194330185 /nfs/dbraw/zinc/33/01/85/194330185.db2.gz AWSQLGGHDOOEPJ-WQGACYEGSA-N 1 1 290.363 3.155 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279201639 194330187 /nfs/dbraw/zinc/33/01/87/194330187.db2.gz AWSQLGGHDOOEPJ-WQGACYEGSA-N 1 1 290.363 3.155 20 5 CGBDMO COCCCC[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000419378097 380822053 /nfs/dbraw/zinc/82/20/53/380822053.db2.gz CREMSBDKXUHHTM-ZDUSSCGKSA-N 1 1 280.368 3.323 20 5 CGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000357555562 381206950 /nfs/dbraw/zinc/20/69/50/381206950.db2.gz VCLLFHPCXUISLP-DGCLKSJQSA-N 1 1 278.352 3.366 20 5 CGBDMO Cc1ccc2c(c1)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000361602882 381831652 /nfs/dbraw/zinc/83/16/52/381831652.db2.gz LANQMBQTPQHUIZ-UHFFFAOYSA-N 1 1 298.342 3.298 20 5 CGBDMO Cc1ccc2c(c1)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000361602882 381831660 /nfs/dbraw/zinc/83/16/60/381831660.db2.gz LANQMBQTPQHUIZ-UHFFFAOYSA-N 1 1 298.342 3.298 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3ccncc3)C2)cc1 ZINC000289302729 197289951 /nfs/dbraw/zinc/28/99/51/197289951.db2.gz IKVBOYMGPVRKIJ-INIZCTEOSA-N 1 1 297.358 3.369 20 5 CGBDMO CC[C@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000281360048 195210235 /nfs/dbraw/zinc/21/02/35/195210235.db2.gz LDLZFZKBUKKZPA-STQMWFEESA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1ccc(C[N@@H+]2CCSC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000190844281 130152438 /nfs/dbraw/zinc/15/24/38/130152438.db2.gz BUKWAEHPUGRTMT-NSHDSACASA-N 1 1 280.393 3.088 20 5 CGBDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000109783353 392375244 /nfs/dbraw/zinc/37/52/44/392375244.db2.gz LPVPGDHUXJVXCF-GFCCVEGCSA-N 1 1 286.331 3.493 20 5 CGBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000158718873 392573991 /nfs/dbraw/zinc/57/39/91/392573991.db2.gz JRWUVJVQPSIMKW-CZUORRHYSA-N 1 1 292.379 3.110 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c(F)c1 ZINC000509393949 392748402 /nfs/dbraw/zinc/74/84/02/392748402.db2.gz UMBQSGPIYFXIHR-PHIMTYICSA-N 1 1 296.317 3.495 20 5 CGBDMO C[C@@H]1SCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000336813959 392870637 /nfs/dbraw/zinc/87/06/37/392870637.db2.gz VYYGNHHFXHJQDH-UWVGGRQHSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@@H]1SCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000336813959 392870640 /nfs/dbraw/zinc/87/06/40/392870640.db2.gz VYYGNHHFXHJQDH-UWVGGRQHSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000338956072 392938137 /nfs/dbraw/zinc/93/81/37/392938137.db2.gz HXDJOEWFDWRRIP-VIFPVBQESA-N 1 1 288.269 3.455 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CCCO1 ZINC000470174507 393230152 /nfs/dbraw/zinc/23/01/52/393230152.db2.gz LKZDDLRNJAZMIJ-OVHOFWQVSA-N 1 1 290.363 3.109 20 5 CGBDMO C[C@@H]1CC[C@@H](C)[NH+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351872196 393196959 /nfs/dbraw/zinc/19/69/59/393196959.db2.gz CRVRRRDCPOPIND-RKDXNWHRSA-N 1 1 270.279 3.246 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cn2)cc1[N+](=O)[O-] ZINC000268976138 393212471 /nfs/dbraw/zinc/21/24/71/393212471.db2.gz AYMWEVQGMJIUMU-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H]1c1ccccc1 ZINC000471186766 393276855 /nfs/dbraw/zinc/27/68/55/393276855.db2.gz MHEMLSAOEWODRT-OAHLLOKOSA-N 1 1 298.342 3.421 20 5 CGBDMO COc1cc(C[N@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000475725334 393413431 /nfs/dbraw/zinc/41/34/31/393413431.db2.gz YCWLQOLBIRWQCJ-UPJWGTAASA-N 1 1 292.379 3.470 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1C(C)C ZINC000430192462 393535779 /nfs/dbraw/zinc/53/57/79/393535779.db2.gz ARKYSYZIRGHPFN-CQSZACIVSA-N 1 1 278.352 3.224 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)CCSC ZINC000430207549 393539677 /nfs/dbraw/zinc/53/96/77/393539677.db2.gz RCEDGECMCPJXDT-LLVKDONJSA-N 1 1 298.408 3.177 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000430281104 393557407 /nfs/dbraw/zinc/55/74/07/393557407.db2.gz RIACHDHVIWLGKC-LLVKDONJSA-N 1 1 276.336 3.001 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CC2CCC2)C2CC2)c1 ZINC000490198043 393635315 /nfs/dbraw/zinc/63/53/15/393635315.db2.gz CQHFYSCWNMMZDO-UHFFFAOYSA-N 1 1 260.337 3.359 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+][C@@H](CN)C2CCCC2)cc1[N+](=O)[O-] ZINC000423501479 393671782 /nfs/dbraw/zinc/67/17/82/393671782.db2.gz DQDPJWBYDUZQKF-WFASDCNBSA-N 1 1 291.395 3.071 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC[N@H+](C)C1CC1 ZINC000444836866 393791639 /nfs/dbraw/zinc/79/16/39/393791639.db2.gz RGMJHSFAPDPOOF-UHFFFAOYSA-N 1 1 283.759 3.063 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC000449587862 393914184 /nfs/dbraw/zinc/91/41/84/393914184.db2.gz PGWJPTOVCGPMPW-OAHLLOKOSA-N 1 1 294.395 3.132 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccncn2)cc1[N+](=O)[O-] ZINC000453147272 394187839 /nfs/dbraw/zinc/18/78/39/394187839.db2.gz JBCPKWDXWJXUDY-RYUDHWBXSA-N 1 1 286.335 3.105 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000076149972 165112285 /nfs/dbraw/zinc/11/22/85/165112285.db2.gz FXIBYLQJMWYRRZ-ZJUUUORDSA-N 1 1 254.355 3.277 20 5 CGBDMO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000080256274 165152055 /nfs/dbraw/zinc/15/20/55/165152055.db2.gz BVYYJVGAZHCEDV-GFCCVEGCSA-N 1 1 277.349 3.292 20 5 CGBDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000083247555 165173306 /nfs/dbraw/zinc/17/33/06/165173306.db2.gz KBNOPIJVCVASDG-MRXNPFEDSA-N 1 1 292.379 3.232 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089911918 165220946 /nfs/dbraw/zinc/22/09/46/165220946.db2.gz BHYNKXDWXZMLGM-LLVKDONJSA-N 1 1 289.335 3.480 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068476947 287145083 /nfs/dbraw/zinc/14/50/83/287145083.db2.gz OODRIBXZMSJCDX-RYUDHWBXSA-N 1 1 278.352 3.155 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068476947 287145084 /nfs/dbraw/zinc/14/50/84/287145084.db2.gz OODRIBXZMSJCDX-RYUDHWBXSA-N 1 1 278.352 3.155 20 5 CGBDMO CCOC[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119279282 287167576 /nfs/dbraw/zinc/16/75/76/287167576.db2.gz DJCFCWPQUADYTE-NSHDSACASA-N 1 1 298.770 3.107 20 5 CGBDMO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000285638018 196351981 /nfs/dbraw/zinc/35/19/81/196351981.db2.gz LPNUFNYTGCGMII-UHFFFAOYSA-N 1 1 289.335 3.225 20 5 CGBDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116280786 228057627 /nfs/dbraw/zinc/05/76/27/228057627.db2.gz VOQOOUUKCQJWRQ-LLVKDONJSA-N 1 1 298.770 3.107 20 5 CGBDMO Cc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000062051156 262409678 /nfs/dbraw/zinc/40/96/78/262409678.db2.gz XFFHWLAPGSCBRK-GFCCVEGCSA-N 1 1 271.320 3.149 20 5 CGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000185638030 270063566 /nfs/dbraw/zinc/06/35/66/270063566.db2.gz NJHLZAGBAKXBAD-GWCFXTLKSA-N 1 1 266.316 3.354 20 5 CGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000185638015 270063800 /nfs/dbraw/zinc/06/38/00/270063800.db2.gz NJHLZAGBAKXBAD-GXFFZTMASA-N 1 1 266.316 3.354 20 5 CGBDMO CCCC[N@@H+](C)C[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000519796332 270098082 /nfs/dbraw/zinc/09/80/82/270098082.db2.gz XCLCGALQOGRCSK-KGLIPLIRSA-N 1 1 293.411 3.366 20 5 CGBDMO CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000519796332 270098083 /nfs/dbraw/zinc/09/80/83/270098083.db2.gz XCLCGALQOGRCSK-KGLIPLIRSA-N 1 1 293.411 3.366 20 5 CGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])CC1Cc2ccccc2C1 ZINC000521947045 270103340 /nfs/dbraw/zinc/10/33/40/270103340.db2.gz SXCJRUULJFZUGJ-UHFFFAOYSA-N 1 1 296.370 3.442 20 5 CGBDMO CC[C@@H](C)C[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000530662446 270201581 /nfs/dbraw/zinc/20/15/81/270201581.db2.gz HDNXHDHRUOGMDL-GFCCVEGCSA-N 1 1 250.342 3.463 20 5 CGBDMO CC[C@H](C)C[N@@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC000531140624 270204558 /nfs/dbraw/zinc/20/45/58/270204558.db2.gz AVCDFOOKGJOSPQ-LBPRGKRZSA-N 1 1 250.342 3.463 20 5 CGBDMO CO[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[C@H]1C ZINC000252040267 274066320 /nfs/dbraw/zinc/06/63/20/274066320.db2.gz ZJEGICGRQLKHOE-TYNCELHUSA-N 1 1 278.352 3.013 20 5 CGBDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332229336 274314514 /nfs/dbraw/zinc/31/45/14/274314514.db2.gz LNFJQISQWIWFEP-WDEREUQCSA-N 1 1 288.351 3.092 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531725677 288343530 /nfs/dbraw/zinc/34/35/30/288343530.db2.gz MLRJLNHKUQSGNN-RDBSUJKOSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531725677 288343532 /nfs/dbraw/zinc/34/35/32/288343532.db2.gz MLRJLNHKUQSGNN-RDBSUJKOSA-N 1 1 291.395 3.037 20 5 CGBDMO CC(C)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549156856 289036478 /nfs/dbraw/zinc/03/64/78/289036478.db2.gz PFMSIIUBSXROQJ-UHFFFAOYSA-N 1 1 250.342 3.115 20 5 CGBDMO Cc1cccc(CC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000566163083 322107680 /nfs/dbraw/zinc/10/76/80/322107680.db2.gz UKKAQEBDUAXZFD-UHFFFAOYSA-N 1 1 299.374 3.015 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000566248185 322111612 /nfs/dbraw/zinc/11/16/12/322111612.db2.gz SLXBLDXCQGJADV-CYBMUJFWSA-N 1 1 290.363 3.047 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000566248185 322111614 /nfs/dbraw/zinc/11/16/14/322111614.db2.gz SLXBLDXCQGJADV-CYBMUJFWSA-N 1 1 290.363 3.047 20 5 CGBDMO CC(C)[C@H]1CC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000568121688 322194304 /nfs/dbraw/zinc/19/43/04/322194304.db2.gz IUUNXKKNPGUTJK-HZRUHFOJSA-N 1 1 260.337 3.338 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NCCCC[N@H+](C)C2CC2)c1 ZINC000413350526 534324950 /nfs/dbraw/zinc/32/49/50/534324950.db2.gz WSWKWWOWFGJVJX-UHFFFAOYSA-N 1 1 277.368 3.190 20 5 CGBDMO Cc1ncc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)o1 ZINC000414165531 534746781 /nfs/dbraw/zinc/74/67/81/534746781.db2.gz CIEDSMRNVVWGOH-HNNXBMFYSA-N 1 1 287.319 3.058 20 5 CGBDMO Cc1ccc(C[N@H+](C)[C@@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000183712274 524397471 /nfs/dbraw/zinc/39/74/71/524397471.db2.gz JAKHNCZSUXFCMU-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000292802337 525649628 /nfs/dbraw/zinc/64/96/28/525649628.db2.gz NSOSFCUPLVFYGM-CQSZACIVSA-N 1 1 294.420 3.478 20 5 CGBDMO C[C@@H](c1ccco1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000069066481 526135774 /nfs/dbraw/zinc/13/57/74/526135774.db2.gz KXWAUJPJTGPWHR-NSHDSACASA-N 1 1 260.293 3.381 20 5 CGBDMO C[C@@H](c1ccco1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000069066481 526135783 /nfs/dbraw/zinc/13/57/83/526135783.db2.gz KXWAUJPJTGPWHR-NSHDSACASA-N 1 1 260.293 3.381 20 5 CGBDMO CCC[N@@H+](CC)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000156790342 527979421 /nfs/dbraw/zinc/97/94/21/527979421.db2.gz WGCBOASAGPQRTH-CQSZACIVSA-N 1 1 293.411 3.286 20 5 CGBDMO CCCN(CC)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000156790342 527979427 /nfs/dbraw/zinc/97/94/27/527979427.db2.gz WGCBOASAGPQRTH-CQSZACIVSA-N 1 1 293.411 3.286 20 5 CGBDMO CCC[C@H](N[C@H]1CC[NH2+]C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000423409065 528242165 /nfs/dbraw/zinc/24/21/65/528242165.db2.gz YLZQZIGGVSCXQN-RCBQFDQVSA-N 1 1 291.395 3.024 20 5 CGBDMO NC(=[NH+]OCc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000747823308 572950025 /nfs/dbraw/zinc/95/00/25/572950025.db2.gz AIRVUPWGQPAZTG-UHFFFAOYSA-N 1 1 295.314 3.313 20 5 CGBDMO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000307764408 618074685 /nfs/dbraw/zinc/07/46/85/618074685.db2.gz MIHHOPKDTUFSDL-LBPRGKRZSA-N 1 1 298.770 3.249 20 5 CGBDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000307764408 618074691 /nfs/dbraw/zinc/07/46/91/618074691.db2.gz MIHHOPKDTUFSDL-LBPRGKRZSA-N 1 1 298.770 3.249 20 5 CGBDMO CC(C)c1[nH+]ccn1CCNc1ccccc1[N+](=O)[O-] ZINC000895989666 619922256 /nfs/dbraw/zinc/92/22/56/619922256.db2.gz RIMHOTSTWUDLLG-UHFFFAOYSA-N 1 1 274.324 3.027 20 5 CGBDMO CCc1[nH+]ccn1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042419782 620850734 /nfs/dbraw/zinc/85/07/34/620850734.db2.gz JBTCJYZRHPPAKA-UHFFFAOYSA-N 1 1 265.700 3.055 20 5 CGBDMO C[C@@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000903287320 621670874 /nfs/dbraw/zinc/67/08/74/621670874.db2.gz NWIGHZXOLFQJHK-JTNHKYCSSA-N 1 1 286.335 3.148 20 5 CGBDMO C[C@H]1CCC[N@H+]1CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000788070494 625588521 /nfs/dbraw/zinc/58/85/21/625588521.db2.gz GQICBXUSOONJRH-JTQLQIEISA-N 1 1 283.759 3.144 20 5 CGBDMO C[N@@H+](CC1CCCC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000058207536 622909820 /nfs/dbraw/zinc/90/98/20/622909820.db2.gz RHRFXGFLTKWPSV-UHFFFAOYSA-N 1 1 288.351 3.024 20 5 CGBDMO CC[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H](C)C(C)C ZINC000064111935 623410218 /nfs/dbraw/zinc/41/02/18/623410218.db2.gz BGTAGJCTPRJCLR-LBPRGKRZSA-N 1 1 290.367 3.268 20 5 CGBDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774920 623453885 /nfs/dbraw/zinc/45/38/85/623453885.db2.gz UZHFGMZDWGVVFO-QWRGUYRKSA-N 1 1 266.316 3.354 20 5 CGBDMO C[N@H+](Cn1nccc1[N+](=O)[O-])C1CCC(C(C)(C)C)CC1 ZINC000921047099 624565353 /nfs/dbraw/zinc/56/53/53/624565353.db2.gz VHVDINCJWXHRQF-UHFFFAOYSA-N 1 1 294.399 3.286 20 5 CGBDMO C[N@@H+](Cn1nccc1[N+](=O)[O-])C1CCC(C(C)(C)C)CC1 ZINC000921047099 624565358 /nfs/dbraw/zinc/56/53/58/624565358.db2.gz VHVDINCJWXHRQF-UHFFFAOYSA-N 1 1 294.399 3.286 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C ZINC000761511730 627047358 /nfs/dbraw/zinc/04/73/58/627047358.db2.gz OVQNDTCXDUIEQB-AOOOYVTPSA-N 1 1 268.744 3.336 20 5 CGBDMO CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000768555233 627486508 /nfs/dbraw/zinc/48/65/08/627486508.db2.gz OJGCIIVFUAKTAW-LBPRGKRZSA-N 1 1 298.770 3.107 20 5 CGBDMO CC(C)[C@@H]1CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775765769 628134359 /nfs/dbraw/zinc/13/43/59/628134359.db2.gz RDWCHRHDUWZFHD-ZDUSSCGKSA-N 1 1 268.744 3.479 20 5 CGBDMO CC(C)[C@@H]1CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775765769 628134362 /nfs/dbraw/zinc/13/43/62/628134362.db2.gz RDWCHRHDUWZFHD-ZDUSSCGKSA-N 1 1 268.744 3.479 20 5 CGBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCCCC1 ZINC000776575960 628220216 /nfs/dbraw/zinc/22/02/16/628220216.db2.gz XDMKXZCUCUEFCH-INIZCTEOSA-N 1 1 292.379 3.140 20 5 CGBDMO CC(C)(C)[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582494 628221448 /nfs/dbraw/zinc/22/14/48/628221448.db2.gz RIXRNGVVMCUUHZ-GJZGRUSLSA-N 1 1 292.379 3.139 20 5 CGBDMO CCCCC[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779867554 628439035 /nfs/dbraw/zinc/43/90/35/628439035.db2.gz VVQRCYRLAGIKLK-ZDUSSCGKSA-N 1 1 280.372 3.102 20 5 CGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792875048 629390025 /nfs/dbraw/zinc/39/00/25/629390025.db2.gz XNAXJVDLGOXDKS-PWSUYJOCSA-N 1 1 293.323 3.266 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccnc1F ZINC000794833539 629583731 /nfs/dbraw/zinc/58/37/31/629583731.db2.gz GIRGLLIAVZQXES-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO CC1=C[C@H](C)C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000797526047 629956841 /nfs/dbraw/zinc/95/68/41/629956841.db2.gz HNKQEJJCZRZJCO-JTQLQIEISA-N 1 1 264.300 3.132 20 5 CGBDMO CC1=C[C@H](C)C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000797526047 629956843 /nfs/dbraw/zinc/95/68/43/629956843.db2.gz HNKQEJJCZRZJCO-JTQLQIEISA-N 1 1 264.300 3.132 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000798963106 630129802 /nfs/dbraw/zinc/12/98/02/630129802.db2.gz XEQHKFPORIAVLV-HNNXBMFYSA-N 1 1 297.358 3.288 20 5 CGBDMO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000799735939 630228350 /nfs/dbraw/zinc/22/83/50/630228350.db2.gz DSQDUGRENBSSCL-PWSUYJOCSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000799735939 630228357 /nfs/dbraw/zinc/22/83/57/630228357.db2.gz DSQDUGRENBSSCL-PWSUYJOCSA-N 1 1 298.770 3.248 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CC(C2CC2)C1 ZINC000812775851 631305909 /nfs/dbraw/zinc/30/59/09/631305909.db2.gz OVXVABQSBPKPNW-UHFFFAOYSA-N 1 1 266.728 3.090 20 5 CGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC2(CCC2)O1 ZINC000877917454 635268955 /nfs/dbraw/zinc/26/89/55/635268955.db2.gz UUPNWLYGOMCFPB-AWEZNQCLSA-N 1 1 290.363 3.128 20 5 CGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC2(CCC2)O1 ZINC000877917454 635268962 /nfs/dbraw/zinc/26/89/62/635268962.db2.gz UUPNWLYGOMCFPB-AWEZNQCLSA-N 1 1 290.363 3.128 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879621888 635820202 /nfs/dbraw/zinc/82/02/02/635820202.db2.gz GKONLSYTVGLGMC-TZMCWYRMSA-N 1 1 292.379 3.057 20 5 CGBDMO COCC1([N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000880185878 635930693 /nfs/dbraw/zinc/93/06/93/635930693.db2.gz GXBGWQBATYCMQS-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO O=[N+]([O-])c1c(F)cccc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848784244 636657516 /nfs/dbraw/zinc/65/75/16/636657516.db2.gz VVWDESJEOPDSCV-JSGCOSHPSA-N 1 1 293.342 3.163 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000885935079 637319691 /nfs/dbraw/zinc/31/96/91/637319691.db2.gz BALAJBDSWUPCRH-INIZCTEOSA-N 1 1 297.358 3.197 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000886011359 637360163 /nfs/dbraw/zinc/36/01/63/637360163.db2.gz ZKSCUOMEAZXEQZ-MRXNPFEDSA-N 1 1 287.363 3.312 20 5 CGBDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886021068 637369271 /nfs/dbraw/zinc/36/92/71/637369271.db2.gz OGLZAQVFNXLARS-INIZCTEOSA-N 1 1 299.374 3.443 20 5 CGBDMO CCC[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886134088 637430018 /nfs/dbraw/zinc/43/00/18/637430018.db2.gz JVLNUTAEBZREGL-ZDUSSCGKSA-N 1 1 263.341 3.144 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886834613 637712532 /nfs/dbraw/zinc/71/25/32/637712532.db2.gz AYCLVFYJPIILCT-IVMMDQJWSA-N 1 1 290.363 3.157 20 5 CGBDMO C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000047540429 640018147 /nfs/dbraw/zinc/01/81/47/640018147.db2.gz HBLOUNOSLBAVQD-UHFFFAOYSA-N 1 1 274.295 3.366 20 5 CGBDMO C[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000047540429 640018152 /nfs/dbraw/zinc/01/81/52/640018152.db2.gz HBLOUNOSLBAVQD-UHFFFAOYSA-N 1 1 274.295 3.366 20 5 CGBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCCC1 ZINC000047721352 640025816 /nfs/dbraw/zinc/02/58/16/640025816.db2.gz KPSRFEWOKXWZHR-UHFFFAOYSA-N 1 1 252.289 3.108 20 5 CGBDMO C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H](C)S1 ZINC000094774875 640802808 /nfs/dbraw/zinc/80/28/08/640802808.db2.gz DYOMWVYDYKQTSM-NXEZZACHSA-N 1 1 284.356 3.060 20 5 CGBDMO C[N@@H+](CCc1ccccc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596387 806457253 /nfs/dbraw/zinc/45/72/53/806457253.db2.gz CWQLYMKEVSOYDF-SFHVURJKSA-N 1 1 296.370 3.237 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC13CCCCC3)C2 ZINC001254593373 806456814 /nfs/dbraw/zinc/45/68/14/806456814.db2.gz LQVNZBJGQPQQOI-INIZCTEOSA-N 1 1 286.375 3.471 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000400307433 799544990 /nfs/dbraw/zinc/54/49/90/799544990.db2.gz YIJQDWPMFMFFSN-LLVKDONJSA-N 1 1 280.755 3.480 20 5 CGBDMO C[N@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001163459542 806766124 /nfs/dbraw/zinc/76/61/24/806766124.db2.gz GRLGCTORSMUBLI-NSHDSACASA-N 1 1 297.786 3.392 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2Cc3ccc(Cl)cc3C2)C1 ZINC001169039868 807556890 /nfs/dbraw/zinc/55/68/90/807556890.db2.gz VDBCCZGXGPWCEN-QMTHXVAHSA-N 1 1 280.755 3.101 20 5 CGBDMO C[N@@H+](C/C=C/c1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038636 807557219 /nfs/dbraw/zinc/55/72/19/807557219.db2.gz JPYAJEPCRSWVNC-TWZSPHTKSA-N 1 1 274.364 3.077 20 5 CGBDMO CC[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038975 807557603 /nfs/dbraw/zinc/55/76/03/807557603.db2.gz LZSPKMHZQDZTGI-JSGCOSHPSA-N 1 1 280.343 3.093 20 5 CGBDMO CC[N@@H+](Cc1cccc(F)c1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040206 807557922 /nfs/dbraw/zinc/55/79/22/807557922.db2.gz YSCSFNLCYFGYDG-ZFWWWQNUSA-N 1 1 280.343 3.093 20 5 CGBDMO CC[N@@H+](Cc1cccc(F)c1F)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047020 807558280 /nfs/dbraw/zinc/55/82/80/807558280.db2.gz PQQYCQWUEJEOND-YPMHNXCESA-N 1 1 298.333 3.232 20 5 CGBDMO CC[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001169494460 807651784 /nfs/dbraw/zinc/65/17/84/807651784.db2.gz KMJUYJFWNJUGKV-UONOGXRCSA-N 1 1 292.379 3.484 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCC3(CC3)C1)CC2 ZINC001172902340 808476152 /nfs/dbraw/zinc/47/61/52/808476152.db2.gz ARDAMFPFQUBDFJ-OAHLLOKOSA-N 1 1 286.375 3.328 20 5 CGBDMO CC[N@@H+](C(C)C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173181252 808533972 /nfs/dbraw/zinc/53/39/72/808533972.db2.gz CIXGOMMMTDJHQU-LLVKDONJSA-N 1 1 298.358 3.404 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCOC(C)(C)C1 ZINC001173227597 808541598 /nfs/dbraw/zinc/54/15/98/808541598.db2.gz REWIQSKFJFZFIJ-ZDUSSCGKSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)CC12CC2 ZINC001173233232 808542959 /nfs/dbraw/zinc/54/29/59/808542959.db2.gz UUHPPNAKJIJWEK-QWHCGFSZSA-N 1 1 274.364 3.400 20 5 CGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1c(F)cccc1[N+](=O)[O-] ZINC001185018159 810229611 /nfs/dbraw/zinc/22/96/11/810229611.db2.gz WVAGFGAHOJGACB-VXGBXAGGSA-N 1 1 295.358 3.266 20 5 CGBDMO CC[C@H](C)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001191521628 810721465 /nfs/dbraw/zinc/72/14/65/810721465.db2.gz UCISKNKXWKWPDD-NWDGAFQWSA-N 1 1 262.353 3.388 20 5 CGBDMO Cc1cn2cc(Nc3ccc(F)c([N+](=O)[O-])c3)ccc2[nH+]1 ZINC001211191638 814844827 /nfs/dbraw/zinc/84/48/27/814844827.db2.gz YHDCPGLJYIVBBB-UHFFFAOYSA-N 1 1 286.266 3.434 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1Nc1c[nH+]c2ccccn12 ZINC001211286749 814870945 /nfs/dbraw/zinc/87/09/45/814870945.db2.gz ZQCZFFZIYDBSDE-UHFFFAOYSA-N 1 1 268.276 3.295 20 5 CGBDMO CC[N@H+]1CCC[C@H](O[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001223432454 816629682 /nfs/dbraw/zinc/62/96/82/816629682.db2.gz VDSCUHWFOUPFRB-DOMZBBRYSA-N 1 1 278.352 3.157 20 5 CGBDMO C[C@@H](O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC001223430712 816629973 /nfs/dbraw/zinc/62/99/73/816629973.db2.gz PQNSHFNGDFYPJW-UYHMYPTGSA-N 1 1 290.363 3.298 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1C[NH+]2CCC1CC2 ZINC001226987628 817526222 /nfs/dbraw/zinc/52/62/22/817526222.db2.gz AHTQHPLZOZRAIK-LBPRGKRZSA-N 1 1 296.754 3.030 20 5 CGBDMO CC[N@H+]1CCC[C@@H](Oc2c(C)cc(C)cc2[N+](=O)[O-])C1 ZINC001228238272 817847196 /nfs/dbraw/zinc/84/71/96/817847196.db2.gz UAQLDWDCHXILKG-CYBMUJFWSA-N 1 1 278.352 3.075 20 5 CGBDMO CC[C@@H](C)[C@@H](C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])OC ZINC001462221898 937626389 /nfs/dbraw/zinc/62/63/89/937626389.db2.gz WMNLXIUKIIQDNG-CZUORRHYSA-N 1 1 294.395 3.130 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1Cc3ccccc3C1)C2 ZINC001323966016 934445223 /nfs/dbraw/zinc/44/52/23/934445223.db2.gz AQGZYKUFKGQHTI-UHFFFAOYSA-N 1 1 294.354 3.325 20 5 CGBDMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC001473675727 937816972 /nfs/dbraw/zinc/81/69/72/937816972.db2.gz XLSCTNCJKLQXEI-LLVKDONJSA-N 1 1 266.316 3.212 20 5 CGBDMO Cc1[nH]c(CNc2ccc3cnccc3c2[N+](=O)[O-])c(C)[nH+]1 ZINC001559284020 938224417 /nfs/dbraw/zinc/22/44/17/938224417.db2.gz JQXVTLLSYRCRNT-UHFFFAOYSA-N 1 1 297.318 3.095 20 5 CGBDMO Cc1ccc2c(c1)C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001559979732 938240561 /nfs/dbraw/zinc/24/05/61/938240561.db2.gz MINXCNNFPLCDOO-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO Cc1ccc2c(c1)C[N@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001559979732 938240562 /nfs/dbraw/zinc/24/05/62/938240562.db2.gz MINXCNNFPLCDOO-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000125360361 187180975 /nfs/dbraw/zinc/18/09/75/187180975.db2.gz TXARETXHNIVYEK-UHFFFAOYSA-N 1 1 271.320 3.012 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000125360361 187180976 /nfs/dbraw/zinc/18/09/76/187180976.db2.gz TXARETXHNIVYEK-UHFFFAOYSA-N 1 1 271.320 3.012 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](C3CCC3)C2)cs1 ZINC000591062205 346898303 /nfs/dbraw/zinc/89/83/03/346898303.db2.gz XPNUXKPJDJIIKP-GFCCVEGCSA-N 1 1 266.366 3.278 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000048070724 345060827 /nfs/dbraw/zinc/06/08/27/345060827.db2.gz DZPPQZFCJVQRPM-NSHDSACASA-N 1 1 294.351 3.082 20 5 CGBDMO COc1ccc(C[N@H+](C)Cc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000051455005 345090945 /nfs/dbraw/zinc/09/09/45/345090945.db2.gz AFFYHOIWIDMWPN-UHFFFAOYSA-N 1 1 290.319 3.137 20 5 CGBDMO COc1ccc(C[N@@H+](C)Cc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000051455005 345090948 /nfs/dbraw/zinc/09/09/48/345090948.db2.gz AFFYHOIWIDMWPN-UHFFFAOYSA-N 1 1 290.319 3.137 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C(C)C ZINC000063618392 345250523 /nfs/dbraw/zinc/25/05/23/345250523.db2.gz USFAXUZGRZGFKV-CQSZACIVSA-N 1 1 278.352 3.224 20 5 CGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000065208643 345269288 /nfs/dbraw/zinc/26/92/88/345269288.db2.gz LVLLIFTXNLTYGP-UHFFFAOYSA-N 1 1 292.360 3.167 20 5 CGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000065208243 345269349 /nfs/dbraw/zinc/26/93/49/345269349.db2.gz QTWOEAZECOXETI-UHFFFAOYSA-N 1 1 286.331 3.106 20 5 CGBDMO CC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000091461717 345815187 /nfs/dbraw/zinc/81/51/87/345815187.db2.gz FVEFQKVNLDQUQV-UHFFFAOYSA-N 1 1 295.383 3.136 20 5 CGBDMO Cc1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000196580699 346276388 /nfs/dbraw/zinc/27/63/88/346276388.db2.gz CEIJFXZJORPYDB-UHFFFAOYSA-N 1 1 298.342 3.298 20 5 CGBDMO Cc1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000196580699 346276392 /nfs/dbraw/zinc/27/63/92/346276392.db2.gz CEIJFXZJORPYDB-UHFFFAOYSA-N 1 1 298.342 3.298 20 5 CGBDMO Cc1c(C[NH2+]Cc2cccc(F)c2F)cccc1[N+](=O)[O-] ZINC000231884006 346323902 /nfs/dbraw/zinc/32/39/02/346323902.db2.gz AUWVRUGWSCHROF-UHFFFAOYSA-N 1 1 292.285 3.471 20 5 CGBDMO CCOc1cc(N[C@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000315035561 346482709 /nfs/dbraw/zinc/48/27/09/346482709.db2.gz WXTHCFMRHUPHND-GFCCVEGCSA-N 1 1 295.383 3.134 20 5 CGBDMO Cc1ccnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000328097046 346491441 /nfs/dbraw/zinc/49/14/41/346491441.db2.gz JZAKPULNLXSOGC-GFCCVEGCSA-N 1 1 271.320 3.149 20 5 CGBDMO CCC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CC1 ZINC000595288156 347286660 /nfs/dbraw/zinc/28/66/60/347286660.db2.gz KPGKUOSPSABZDE-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccoc1 ZINC000595017223 347257898 /nfs/dbraw/zinc/25/78/98/347257898.db2.gz KKIWSXYZQCUHKG-JTQLQIEISA-N 1 1 276.292 3.047 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC1=CCCOC1 ZINC000595748441 347349456 /nfs/dbraw/zinc/34/94/56/347349456.db2.gz YZKGYJSMGYGHJS-UHFFFAOYSA-N 1 1 296.754 3.027 20 5 CGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC1=CCCOC1 ZINC000595748441 347349459 /nfs/dbraw/zinc/34/94/59/347349459.db2.gz YZKGYJSMGYGHJS-UHFFFAOYSA-N 1 1 296.754 3.027 20 5 CGBDMO Cc1noc(C[N@H+](C)[C@@H](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000595461959 347306473 /nfs/dbraw/zinc/30/64/73/347306473.db2.gz RDQGVLVDVOZZEB-NSHDSACASA-N 1 1 281.356 3.292 20 5 CGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCC1CCC1 ZINC000595483363 347310011 /nfs/dbraw/zinc/31/00/11/347310011.db2.gz GKFARRDBLZMCCK-UHFFFAOYSA-N 1 1 262.353 3.259 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c(Cl)c1 ZINC000595808319 347357380 /nfs/dbraw/zinc/35/73/80/347357380.db2.gz CONUWSAAIAGAOE-MWLCHTKSSA-N 1 1 266.728 3.090 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c(Cl)c1 ZINC000595808319 347357381 /nfs/dbraw/zinc/35/73/81/347357381.db2.gz CONUWSAAIAGAOE-MWLCHTKSSA-N 1 1 266.728 3.090 20 5 CGBDMO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000595806030 347357436 /nfs/dbraw/zinc/35/74/36/347357436.db2.gz DMTSPOYYUXXPKL-CYBMUJFWSA-N 1 1 290.363 3.128 20 5 CGBDMO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000595806030 347357438 /nfs/dbraw/zinc/35/74/38/347357438.db2.gz DMTSPOYYUXXPKL-CYBMUJFWSA-N 1 1 290.363 3.128 20 5 CGBDMO Cc1noc(C[N@@H+]2CCC[C@]2(C)CC(C)C)c1[N+](=O)[O-] ZINC000595535066 347315870 /nfs/dbraw/zinc/31/58/70/347315870.db2.gz YAXRVYBSWGEZHH-CQSZACIVSA-N 1 1 281.356 3.292 20 5 CGBDMO CC(C)[N@H+]1CCCC[C@H]1COc1c(F)cccc1[N+](=O)[O-] ZINC000596269353 347408061 /nfs/dbraw/zinc/40/80/61/347408061.db2.gz RSUBQSGJJMJDKX-LBPRGKRZSA-N 1 1 296.342 3.376 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595831646 347362642 /nfs/dbraw/zinc/36/26/42/347362642.db2.gz LNRRBAGTCCRRMF-MRXNPFEDSA-N 1 1 298.342 3.248 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H]3CCC[C@@H]32)c(F)c1 ZINC000351837527 219220976 /nfs/dbraw/zinc/22/09/76/219220976.db2.gz VGYJGQQBHOUNIR-OTYXRUKQSA-N 1 1 282.290 3.247 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H]3CCC[C@@H]32)c(F)c1 ZINC000351837527 219220978 /nfs/dbraw/zinc/22/09/78/219220978.db2.gz VGYJGQQBHOUNIR-OTYXRUKQSA-N 1 1 282.290 3.247 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C3CCCCC3)C2)s1 ZINC000596477795 347464400 /nfs/dbraw/zinc/46/44/00/347464400.db2.gz JZURJAXWPWWWSC-NSHDSACASA-N 1 1 295.408 3.475 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)F ZINC000601287392 347888846 /nfs/dbraw/zinc/88/88/46/347888846.db2.gz IDRBCSWXXZVRNS-VIFPVBQESA-N 1 1 270.304 3.002 20 5 CGBDMO CC(C)[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602427843 347956312 /nfs/dbraw/zinc/95/63/12/347956312.db2.gz DOIPLHVLICWGRZ-UHFFFAOYSA-N 1 1 293.186 3.259 20 5 CGBDMO CC(C)[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602427843 347956315 /nfs/dbraw/zinc/95/63/15/347956315.db2.gz DOIPLHVLICWGRZ-UHFFFAOYSA-N 1 1 293.186 3.259 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610372172 348380498 /nfs/dbraw/zinc/38/04/98/348380498.db2.gz HFMIRNIDGDQVOP-KGLIPLIRSA-N 1 1 292.379 3.484 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCCOC(C)C ZINC000273415353 192143595 /nfs/dbraw/zinc/14/35/95/192143595.db2.gz INJCCCJRIAWGFD-UHFFFAOYSA-N 1 1 280.368 3.150 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000612577391 348529350 /nfs/dbraw/zinc/52/93/50/348529350.db2.gz DWMXOFVWIMVMHC-HNNXBMFYSA-N 1 1 260.337 3.278 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC=CCC1 ZINC000615837605 348768144 /nfs/dbraw/zinc/76/81/44/348768144.db2.gz IOPOHRDBYDVGQO-RAXLEYEMSA-N 1 1 258.321 3.260 20 5 CGBDMO O=[N+]([O-])c1cccc(CNc2ccc(C3CCC3)c[nH+]2)c1 ZINC000339571973 215247785 /nfs/dbraw/zinc/24/77/85/215247785.db2.gz POCYCMFLZKUKAK-UHFFFAOYSA-N 1 1 283.331 3.291 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H]2F)c(Cl)c1 ZINC000339583915 215258222 /nfs/dbraw/zinc/25/82/22/215258222.db2.gz KNXVXJFWAPYRNS-VXGBXAGGSA-N 1 1 272.707 3.228 20 5 CGBDMO COCC[C@@H]1CCCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000364162451 234025817 /nfs/dbraw/zinc/02/58/17/234025817.db2.gz XIZJHMUNAWZVKF-AWEZNQCLSA-N 1 1 292.379 3.233 20 5 CGBDMO CC(C)[C@@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154329552 188135850 /nfs/dbraw/zinc/13/58/50/188135850.db2.gz PMIUBBDARXUXNF-HOTGVXAUSA-N 1 1 292.379 3.139 20 5 CGBDMO CC(C)[C@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154329662 188135868 /nfs/dbraw/zinc/13/58/68/188135868.db2.gz PMIUBBDARXUXNF-CVEARBPZSA-N 1 1 292.379 3.139 20 5 CGBDMO COC[C@]1(C)CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000296843840 200013124 /nfs/dbraw/zinc/01/31/24/200013124.db2.gz SVHCKWUZVSXTLR-IUODEOHRSA-N 1 1 278.352 3.014 20 5 CGBDMO C[C@@]12CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]1C2(F)F ZINC000298207960 200360620 /nfs/dbraw/zinc/36/06/20/200360620.db2.gz DEFASUHBWXUTOV-UONOGXRCSA-N 1 1 296.317 3.114 20 5 CGBDMO CC/C=C/CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000342196254 216257313 /nfs/dbraw/zinc/25/73/13/216257313.db2.gz FFNJIJMIEPRYAC-ONEGZZNKSA-N 1 1 260.337 3.309 20 5 CGBDMO CC[N@H+]1CCCC[C@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000342222242 216267771 /nfs/dbraw/zinc/26/77/71/216267771.db2.gz KZIHYBZEUCJGNC-NSHDSACASA-N 1 1 281.331 3.020 20 5 CGBDMO CC[C@@H](NCC[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000181565117 189300873 /nfs/dbraw/zinc/30/08/73/189300873.db2.gz HCCXSHKOSHCTNO-GDBMZVCRSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[C@@H](NCC[C@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000181565117 189300874 /nfs/dbraw/zinc/30/08/74/189300874.db2.gz HCCXSHKOSHCTNO-GDBMZVCRSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[N@@H+](CCNc1cc(C)ccc1[N+](=O)[O-])C(C)C ZINC000301568547 201072757 /nfs/dbraw/zinc/07/27/57/201072757.db2.gz NDXPFIQAPUTJKP-UHFFFAOYSA-N 1 1 265.357 3.045 20 5 CGBDMO Cc1cc(NCC[N@H+](C)C(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000301594974 201086943 /nfs/dbraw/zinc/08/69/43/201086943.db2.gz YRFZYQVTZWFGPM-UHFFFAOYSA-N 1 1 285.775 3.309 20 5 CGBDMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000301998009 201291653 /nfs/dbraw/zinc/29/16/53/201291653.db2.gz QLOJARRBYNVWCR-SJORKVTESA-N 1 1 297.358 3.452 20 5 CGBDMO CC(C)CO[C@@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000120101906 370738625 /nfs/dbraw/zinc/73/86/25/370738625.db2.gz VZKBJWMQWAGXTC-XJKSGUPXSA-N 1 1 292.379 3.403 20 5 CGBDMO CS[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000451324393 240276204 /nfs/dbraw/zinc/27/62/04/240276204.db2.gz YCRIDSMINGMFQE-NSHDSACASA-N 1 1 286.784 3.186 20 5 CGBDMO CS[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000451324393 240276210 /nfs/dbraw/zinc/27/62/10/240276210.db2.gz YCRIDSMINGMFQE-NSHDSACASA-N 1 1 286.784 3.186 20 5 CGBDMO COCCCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548037 240324614 /nfs/dbraw/zinc/32/46/14/240324614.db2.gz MBJLLSYGXXNNCP-OAHLLOKOSA-N 1 1 292.379 3.201 20 5 CGBDMO CO[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000451564601 240327945 /nfs/dbraw/zinc/32/79/45/240327945.db2.gz KWJXEDLRRFVWIX-QMTHXVAHSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000451564601 240327948 /nfs/dbraw/zinc/32/79/48/240327948.db2.gz KWJXEDLRRFVWIX-QMTHXVAHSA-N 1 1 298.770 3.105 20 5 CGBDMO COc1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000451578199 240329731 /nfs/dbraw/zinc/32/97/31/240329731.db2.gz GQHWOJNKTSNMSM-OKILXGFUSA-N 1 1 290.363 3.225 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccncn2)cc1[N+](=O)[O-] ZINC000453147276 240732409 /nfs/dbraw/zinc/73/24/09/240732409.db2.gz JBCPKWDXWJXUDY-VXGBXAGGSA-N 1 1 286.335 3.105 20 5 CGBDMO CO[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000275882577 193155547 /nfs/dbraw/zinc/15/55/47/193155547.db2.gz QOSHPMCOWWTVIH-SLEUVZQESA-N 1 1 278.352 3.013 20 5 CGBDMO COc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020097017 368802449 /nfs/dbraw/zinc/80/24/49/368802449.db2.gz KUQIJQXMMRDQLV-GFCCVEGCSA-N 1 1 286.331 3.454 20 5 CGBDMO C[N@@H+](CCCNc1ccncc1[N+](=O)[O-])C1CCCCC1 ZINC000037901391 369124363 /nfs/dbraw/zinc/12/43/63/369124363.db2.gz CLCUSISRWLFZGO-UHFFFAOYSA-N 1 1 292.383 3.056 20 5 CGBDMO Cc1ccc([C@H](C)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000049574665 369410783 /nfs/dbraw/zinc/41/07/83/369410783.db2.gz XWSNGVOTKGZXFZ-AWEZNQCLSA-N 1 1 291.395 3.040 20 5 CGBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C(C1CC1)C1CC1 ZINC000050988756 369446581 /nfs/dbraw/zinc/44/65/81/369446581.db2.gz GFWIEAOAVNONFJ-UHFFFAOYSA-N 1 1 260.337 3.215 20 5 CGBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2cc(F)ccc2F)c1 ZINC000052926155 369475042 /nfs/dbraw/zinc/47/50/42/369475042.db2.gz NJJIRMOTLNCHBB-UHFFFAOYSA-N 1 1 278.258 3.163 20 5 CGBDMO CCCc1[nH+]ccn1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000070424176 369799245 /nfs/dbraw/zinc/79/92/45/369799245.db2.gz UONAMKZYXPFDIF-UHFFFAOYSA-N 1 1 279.727 3.446 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000344002113 217010619 /nfs/dbraw/zinc/01/06/19/217010619.db2.gz IAKYKMQFWFHEOS-AWEZNQCLSA-N 1 1 260.337 3.135 20 5 CGBDMO O=[N+]([O-])c1cccc(CNc2cc(C3CC3)cc[nH+]2)c1 ZINC000289690044 371794850 /nfs/dbraw/zinc/79/48/50/371794850.db2.gz DCDVKMUSBVFGSZ-UHFFFAOYSA-N 1 1 269.304 3.479 20 5 CGBDMO CCCC[C@@H](C)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000289841355 371836323 /nfs/dbraw/zinc/83/63/23/371836323.db2.gz KFVNRLASDIJEKP-IUODEOHRSA-N 1 1 280.368 3.139 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000344099084 217050196 /nfs/dbraw/zinc/05/01/96/217050196.db2.gz NAFIBGNOCJHZKH-CYBMUJFWSA-N 1 1 290.363 3.225 20 5 CGBDMO CC[N@@H+](CCc1nccs1)Cc1ccccc1[N+](=O)[O-] ZINC000159175807 372112193 /nfs/dbraw/zinc/11/21/93/372112193.db2.gz BGFAUGNFZXXJND-UHFFFAOYSA-N 1 1 291.376 3.116 20 5 CGBDMO Cc1c(C[N@@H+]2CCCc3occc3C2)cccc1[N+](=O)[O-] ZINC000344287449 217134540 /nfs/dbraw/zinc/13/45/40/217134540.db2.gz QPSUPCKHULDMKW-UHFFFAOYSA-N 1 1 286.331 3.445 20 5 CGBDMO Cc1c(C[N@H+]2CCCc3occc3C2)cccc1[N+](=O)[O-] ZINC000344287449 217134542 /nfs/dbraw/zinc/13/45/42/217134542.db2.gz QPSUPCKHULDMKW-UHFFFAOYSA-N 1 1 286.331 3.445 20 5 CGBDMO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000429150205 372318197 /nfs/dbraw/zinc/31/81/97/372318197.db2.gz NNMPZGRZVYSBNS-ZDUSSCGKSA-N 1 1 298.342 3.378 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000429150205 372318204 /nfs/dbraw/zinc/31/82/04/372318204.db2.gz NNMPZGRZVYSBNS-ZDUSSCGKSA-N 1 1 298.342 3.378 20 5 CGBDMO CC[C@@H]([NH2+][C@H](C)c1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000161607677 372340233 /nfs/dbraw/zinc/34/02/33/372340233.db2.gz UYUGOPBWYQCGPJ-BXUZGUMPSA-N 1 1 286.335 3.187 20 5 CGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000293439155 372382929 /nfs/dbraw/zinc/38/29/29/372382929.db2.gz JVQFHFFGQJDGLT-UHFFFAOYSA-N 1 1 274.242 3.208 20 5 CGBDMO C[C@H](c1ccncc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000171916645 372852480 /nfs/dbraw/zinc/85/24/80/372852480.db2.gz VZUATXIHNCXVPJ-GFCCVEGCSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000171916645 372852491 /nfs/dbraw/zinc/85/24/91/372852491.db2.gz VZUATXIHNCXVPJ-GFCCVEGCSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1CCOCC1 ZINC000172007472 372881876 /nfs/dbraw/zinc/88/18/76/372881876.db2.gz IUQZEDMPSDBBSE-LBPRGKRZSA-N 1 1 278.352 3.014 20 5 CGBDMO CC[C@@]1(C)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444653215 373220710 /nfs/dbraw/zinc/22/07/10/373220710.db2.gz VLFJOMNSCAAQQJ-HNNXBMFYSA-N 1 1 288.351 3.093 20 5 CGBDMO CC[C@@]1(C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444653215 373220719 /nfs/dbraw/zinc/22/07/19/373220719.db2.gz VLFJOMNSCAAQQJ-HNNXBMFYSA-N 1 1 288.351 3.093 20 5 CGBDMO O=[N+]([O-])c1ccccc1N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000301184700 373685017 /nfs/dbraw/zinc/68/50/17/373685017.db2.gz JJJROVLNWCADJH-GFCCVEGCSA-N 1 1 275.352 3.024 20 5 CGBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000311461459 374242749 /nfs/dbraw/zinc/24/27/49/374242749.db2.gz VUTQDUCEFNDECR-SNVBAGLBSA-N 1 1 285.775 3.389 20 5 CGBDMO CCC1(CC)CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331561674 374542663 /nfs/dbraw/zinc/54/26/63/374542663.db2.gz CMSKBRIWTOMOCZ-UHFFFAOYSA-N 1 1 294.399 3.121 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[C@H](C)O1 ZINC000190428607 375509817 /nfs/dbraw/zinc/50/98/17/375509817.db2.gz YYTLDUSHHVAZLI-BBRMVZONSA-N 1 1 292.379 3.373 20 5 CGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCC=CO1 ZINC000193644138 375902255 /nfs/dbraw/zinc/90/22/55/375902255.db2.gz NZXUYKMHLZMPOE-CYBMUJFWSA-N 1 1 296.754 3.373 20 5 CGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCC=CO1 ZINC000193644138 375902263 /nfs/dbraw/zinc/90/22/63/375902263.db2.gz NZXUYKMHLZMPOE-CYBMUJFWSA-N 1 1 296.754 3.373 20 5 CGBDMO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000336811081 375963626 /nfs/dbraw/zinc/96/36/26/375963626.db2.gz KZJGRKAVHZSXCE-UHFFFAOYSA-N 1 1 284.356 3.061 20 5 CGBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000336811081 375963630 /nfs/dbraw/zinc/96/36/30/375963630.db2.gz KZJGRKAVHZSXCE-UHFFFAOYSA-N 1 1 284.356 3.061 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000541073099 376418929 /nfs/dbraw/zinc/41/89/29/376418929.db2.gz YQNIYONJFSPZQJ-UWVGGRQHSA-N 1 1 268.744 3.479 20 5 CGBDMO CCC[N@@H+](CC)CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000228770368 376446909 /nfs/dbraw/zinc/44/69/09/376446909.db2.gz CFJRHLRMWAXXQF-UHFFFAOYSA-N 1 1 265.357 3.047 20 5 CGBDMO C[C@@H](C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000544440354 376738027 /nfs/dbraw/zinc/73/80/27/376738027.db2.gz HOUIBTRAMTUECU-ZDUSSCGKSA-N 1 1 297.358 3.152 20 5 CGBDMO CC[C@H]([NH2+]Cc1conc1C)c1cccc([N+](=O)[O-])c1 ZINC000339293633 376744437 /nfs/dbraw/zinc/74/44/37/376744437.db2.gz OIPRXSYYWDMQHU-AWEZNQCLSA-N 1 1 275.308 3.132 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cs1 ZINC000247336585 377195888 /nfs/dbraw/zinc/19/58/88/377195888.db2.gz FWDPOVFYRFGMJB-NWDGAFQWSA-N 1 1 266.366 3.421 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000247089081 377157760 /nfs/dbraw/zinc/15/77/60/377157760.db2.gz RMHMTGNPPLNAQD-ZIAGYGMSSA-N 1 1 293.411 3.284 20 5 CGBDMO CC[C@@H](C)N(C)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000247089081 377157767 /nfs/dbraw/zinc/15/77/67/377157767.db2.gz RMHMTGNPPLNAQD-ZIAGYGMSSA-N 1 1 293.411 3.284 20 5 CGBDMO CO[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C ZINC000251778745 377597426 /nfs/dbraw/zinc/59/74/26/377597426.db2.gz LHALNULAHODFQC-QMTHXVAHSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C ZINC000251778745 377597433 /nfs/dbraw/zinc/59/74/33/377597433.db2.gz LHALNULAHODFQC-QMTHXVAHSA-N 1 1 298.770 3.105 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cnc(C2CC2)o1 ZINC000574339418 377649627 /nfs/dbraw/zinc/64/96/27/377649627.db2.gz QNYYCRXTALPREL-CQSZACIVSA-N 1 1 299.330 3.237 20 5 CGBDMO COC[C@@H]1CCCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000342747085 377770877 /nfs/dbraw/zinc/77/08/77/377770877.db2.gz XLIWFQVFTUOKHN-UONOGXRCSA-N 1 1 292.379 3.404 20 5 CGBDMO CCCCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000255911673 377787962 /nfs/dbraw/zinc/78/79/62/377787962.db2.gz JTVRZQHTBKQTDE-CLFYSBASSA-N 1 1 292.379 3.093 20 5 CGBDMO CCC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C(C)C ZINC000578453393 378071870 /nfs/dbraw/zinc/07/18/70/378071870.db2.gz RGWUUQWRHRICLV-UHFFFAOYSA-N 1 1 296.367 3.232 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@@H](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000271054456 378441727 /nfs/dbraw/zinc/44/17/27/378441727.db2.gz SCQFVDQETJSMAL-NSHDSACASA-N 1 1 296.367 3.088 20 5 CGBDMO CCCC[N@@H+](CCCO)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271700572 378501406 /nfs/dbraw/zinc/50/14/06/378501406.db2.gz HHSNQICXQMFEPP-CYBMUJFWSA-N 1 1 280.368 3.140 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000272586125 378671897 /nfs/dbraw/zinc/67/18/97/378671897.db2.gz WTBFDYRJSGBANW-MELADBBJSA-N 1 1 292.379 3.200 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000374007265 379362663 /nfs/dbraw/zinc/36/26/63/379362663.db2.gz DOPOQVDMQASGOD-CYBMUJFWSA-N 1 1 272.304 3.177 20 5 CGBDMO Cc1cccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000349961624 379460985 /nfs/dbraw/zinc/46/09/85/379460985.db2.gz BLBRAPADGLVRHT-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO Cc1cccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000349961624 379460991 /nfs/dbraw/zinc/46/09/91/379460991.db2.gz BLBRAPADGLVRHT-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000347734136 218339440 /nfs/dbraw/zinc/33/94/40/218339440.db2.gz YKZRSUMNNUEYOI-UHFFFAOYSA-N 1 1 295.342 3.279 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000347715112 218332297 /nfs/dbraw/zinc/33/22/97/218332297.db2.gz FLAGJNPLFNILNR-UHFFFAOYSA-N 1 1 295.342 3.279 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000352545951 379853287 /nfs/dbraw/zinc/85/32/87/379853287.db2.gz NROQZSBHJZTZJI-UONOGXRCSA-N 1 1 290.363 3.368 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1ccccc1)CCO2 ZINC000352620107 379880459 /nfs/dbraw/zinc/88/04/59/379880459.db2.gz AIKAKTPRTOXAPJ-UHFFFAOYSA-N 1 1 298.342 3.032 20 5 CGBDMO Cc1ncc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000282503638 379934263 /nfs/dbraw/zinc/93/42/63/379934263.db2.gz RFBGAIXVLZNUIR-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO CC[N@H+](Cc1ccncc1)Cc1ccccc1[N+](=O)[O-] ZINC000267875646 190360379 /nfs/dbraw/zinc/36/03/79/190360379.db2.gz DZODCSKIABQFNC-UHFFFAOYSA-N 1 1 271.320 3.012 20 5 CGBDMO CC[N@@H+](Cc1ccncc1)Cc1ccccc1[N+](=O)[O-] ZINC000267875646 190360380 /nfs/dbraw/zinc/36/03/80/190360380.db2.gz DZODCSKIABQFNC-UHFFFAOYSA-N 1 1 271.320 3.012 20 5 CGBDMO CN(C)c1ccccc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000267879278 190360400 /nfs/dbraw/zinc/36/04/00/190360400.db2.gz OEJOVXYOTXDYHA-UHFFFAOYSA-N 1 1 291.376 3.012 20 5 CGBDMO CC(C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000359992964 381402617 /nfs/dbraw/zinc/40/26/17/381402617.db2.gz PTBRLGNBZLGXIK-UHFFFAOYSA-N 1 1 256.733 3.336 20 5 CGBDMO COc1cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000361616777 381839539 /nfs/dbraw/zinc/83/95/39/381839539.db2.gz PMSAJCDEERMJBM-PHIMTYICSA-N 1 1 296.342 3.220 20 5 CGBDMO CO[C@@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000363672644 382246209 /nfs/dbraw/zinc/24/62/09/382246209.db2.gz KGEBBZHUWDPQNR-DZGCQCFKSA-N 1 1 292.379 3.465 20 5 CGBDMO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](C)OC ZINC000361566149 285100280 /nfs/dbraw/zinc/10/02/80/285100280.db2.gz RWEOLVGIQCYLSE-JTQLQIEISA-N 1 1 286.759 3.105 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCOC1CCC1)C1CC1 ZINC000346981034 285159798 /nfs/dbraw/zinc/15/97/98/285159798.db2.gz MVFFVMNDXYQCJZ-UHFFFAOYSA-N 1 1 290.363 3.128 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCOC1CCC1)C1CC1 ZINC000346981034 285159800 /nfs/dbraw/zinc/15/98/00/285159800.db2.gz MVFFVMNDXYQCJZ-UHFFFAOYSA-N 1 1 290.363 3.128 20 5 CGBDMO COc1ccc(C[N@@H+](CC(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000051735417 392074518 /nfs/dbraw/zinc/07/45/18/392074518.db2.gz OXOIWINEFOTISC-UHFFFAOYSA-N 1 1 278.352 3.224 20 5 CGBDMO COc1ccc(C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000051122464 392067899 /nfs/dbraw/zinc/06/78/99/392067899.db2.gz FAYAWOPWNADAIT-UHFFFAOYSA-N 1 1 286.331 3.235 20 5 CGBDMO COCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000361647219 392284812 /nfs/dbraw/zinc/28/48/12/392284812.db2.gz XJMJSNXEUIIKPL-DZGCQCFKSA-N 1 1 292.379 3.232 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCc3c2cccc3O)cs1 ZINC000105486841 392290432 /nfs/dbraw/zinc/29/04/32/392290432.db2.gz CNDOJSBJDBSOMA-GFCCVEGCSA-N 1 1 290.344 3.139 20 5 CGBDMO CC[C@@]1(C)CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509359492 392745992 /nfs/dbraw/zinc/74/59/92/392745992.db2.gz RSGDXKWAFJZAGH-AWEZNQCLSA-N 1 1 284.306 3.495 20 5 CGBDMO CC[C@@]1(C)CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509359492 392745996 /nfs/dbraw/zinc/74/59/96/392745996.db2.gz RSGDXKWAFJZAGH-AWEZNQCLSA-N 1 1 284.306 3.495 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509671983 392765819 /nfs/dbraw/zinc/76/58/19/392765819.db2.gz SDJBZPVMYYRLLA-DTWKUNHWSA-N 1 1 270.279 3.103 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509671983 392765822 /nfs/dbraw/zinc/76/58/22/392765822.db2.gz SDJBZPVMYYRLLA-DTWKUNHWSA-N 1 1 270.279 3.103 20 5 CGBDMO Cc1cc(N[C@H](C)c2cccc([N+](=O)[O-])c2)nc(C)[nH+]1 ZINC000194069640 392899286 /nfs/dbraw/zinc/89/92/86/392899286.db2.gz PDERVNLVXWIVKB-SNVBAGLBSA-N 1 1 272.308 3.175 20 5 CGBDMO C[C@@H]1CCC[C@@H](C)[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000525640071 392944827 /nfs/dbraw/zinc/94/48/27/392944827.db2.gz NXQDHPCRDZHERJ-ZIAGYGMSSA-N 1 1 292.379 3.484 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000547947902 393160404 /nfs/dbraw/zinc/16/04/04/393160404.db2.gz SHAGGWIDSWPLNJ-BLLLJJGKSA-N 1 1 290.363 3.075 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000547947902 393160409 /nfs/dbraw/zinc/16/04/09/393160409.db2.gz SHAGGWIDSWPLNJ-BLLLJJGKSA-N 1 1 290.363 3.075 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CCCO1 ZINC000470174509 393228981 /nfs/dbraw/zinc/22/89/81/393228981.db2.gz LKZDDLRNJAZMIJ-WQMJKPAKSA-N 1 1 290.363 3.109 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@](C)(F)C1 ZINC000470175713 393229702 /nfs/dbraw/zinc/22/97/02/393229702.db2.gz FKLJLQCFKDHMKU-INDWDQIESA-N 1 1 278.327 3.432 20 5 CGBDMO COc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475151587 393378065 /nfs/dbraw/zinc/37/80/65/393378065.db2.gz QWSFYGCBQZPETJ-AGIUHOORSA-N 1 1 292.379 3.470 20 5 CGBDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000475722571 393413678 /nfs/dbraw/zinc/41/36/78/393413678.db2.gz HPMCQGZJOXPBRC-FRRDWIJNSA-N 1 1 262.353 3.461 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H](C)C1 ZINC000430209010 393539877 /nfs/dbraw/zinc/53/98/77/393539877.db2.gz WFVQXJLFSPDOLG-LBPRGKRZSA-N 1 1 278.352 3.225 20 5 CGBDMO Cc1ccoc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000430133103 393528139 /nfs/dbraw/zinc/52/81/39/393528139.db2.gz AMSFHXCNJJGAJC-UHFFFAOYSA-N 1 1 274.320 3.437 20 5 CGBDMO Cc1ccoc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000430133103 393528141 /nfs/dbraw/zinc/52/81/41/393528141.db2.gz AMSFHXCNJJGAJC-UHFFFAOYSA-N 1 1 274.320 3.437 20 5 CGBDMO CC[C@H]([NH2+][C@@H](CN)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423263741 393658153 /nfs/dbraw/zinc/65/81/53/393658153.db2.gz OUWQXTUPCOKTSK-HIFRSBDPSA-N 1 1 279.384 3.009 20 5 CGBDMO Cc1ccc(N[C@@H](C)Cc2ccccc2[N+](=O)[O-])[nH+]c1 ZINC000449091859 393875054 /nfs/dbraw/zinc/87/50/54/393875054.db2.gz QZMQPWRXDRBKRR-LBPRGKRZSA-N 1 1 271.320 3.341 20 5 CGBDMO CCC(=O)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000450499403 394006316 /nfs/dbraw/zinc/00/63/16/394006316.db2.gz KMFYVEWHRVOSPY-UHFFFAOYSA-N 1 1 290.363 3.319 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC1CCCC1 ZINC000548935090 289029622 /nfs/dbraw/zinc/02/96/22/289029622.db2.gz BBSFFBJJISGDGT-UHFFFAOYSA-N 1 1 262.353 3.259 20 5 CGBDMO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)(F)F ZINC000449416489 287049232 /nfs/dbraw/zinc/04/92/32/287049232.db2.gz UGJRWOKQLXLVQR-VHSXEESVSA-N 1 1 272.295 3.159 20 5 CGBDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000076149973 165110875 /nfs/dbraw/zinc/11/08/75/165110875.db2.gz FXIBYLQJMWYRRZ-UWVGGRQHSA-N 1 1 254.355 3.277 20 5 CGBDMO CC(C)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000077322710 165119466 /nfs/dbraw/zinc/11/94/66/165119466.db2.gz RDPDFWBMFBDPSK-UHFFFAOYSA-N 1 1 292.379 3.027 20 5 CGBDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000083247693 165173365 /nfs/dbraw/zinc/17/33/65/165173365.db2.gz XGXDDATZKFNWNG-MRXNPFEDSA-N 1 1 292.379 3.232 20 5 CGBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000020526153 171239063 /nfs/dbraw/zinc/23/90/63/171239063.db2.gz DQMAMLFSBSEYSU-RYUDHWBXSA-N 1 1 271.320 3.402 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc([N+](=O)[O-])cc1 ZINC000021040952 171293381 /nfs/dbraw/zinc/29/33/81/171293381.db2.gz GZVFBNMBVKQULT-CYBMUJFWSA-N 1 1 277.368 3.271 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000520845867 262279311 /nfs/dbraw/zinc/27/93/11/262279311.db2.gz BZQHAMQNAHLCAU-GFCCVEGCSA-N 1 1 266.341 3.094 20 5 CGBDMO CO[C@@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC[C@@H]1C ZINC000189372184 270071486 /nfs/dbraw/zinc/07/14/86/270071486.db2.gz QXDVHYSATKFFMI-HEHGZKQESA-N 1 1 292.379 3.321 20 5 CGBDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000520845193 270099183 /nfs/dbraw/zinc/09/91/83/270099183.db2.gz OWNATOUDWAQETF-UKRRQHHQSA-N 1 1 292.379 3.484 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@]2(C)CO)cc1[N+](=O)[O-] ZINC000530411910 270199625 /nfs/dbraw/zinc/19/96/25/270199625.db2.gz BBBZGKVWDPOVPA-INIZCTEOSA-N 1 1 292.379 3.065 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000532780018 270219388 /nfs/dbraw/zinc/21/93/88/270219388.db2.gz BEVRJCUUVCJLFY-OLZOCXBDSA-N 1 1 262.353 3.463 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000177246076 274118714 /nfs/dbraw/zinc/11/87/14/274118714.db2.gz ZZUKHDCXMXLYRB-LLVKDONJSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1(C(F)F)CC1 ZINC000503878941 274211676 /nfs/dbraw/zinc/21/16/76/274211676.db2.gz ZVVOBMGLYPSVAF-JTQLQIEISA-N 1 1 284.306 3.303 20 5 CGBDMO COCC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000273258251 277236340 /nfs/dbraw/zinc/23/63/40/277236340.db2.gz KHHDYBUSXKQVFE-CYBMUJFWSA-N 1 1 290.319 3.055 20 5 CGBDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000348250416 280095265 /nfs/dbraw/zinc/09/52/65/280095265.db2.gz YWNPMGCBRHQUBY-ONGXEEELSA-N 1 1 288.269 3.368 20 5 CGBDMO COC(C)(C)C[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000532644666 288367783 /nfs/dbraw/zinc/36/77/83/288367783.db2.gz TWUSIPZCNYDVJT-LLVKDONJSA-N 1 1 266.341 3.013 20 5 CGBDMO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000570863163 322284280 /nfs/dbraw/zinc/28/42/80/322284280.db2.gz HBNPELSCBAFVCD-UHFFFAOYSA-N 1 1 266.341 3.224 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cs1 ZINC000576104534 335154541 /nfs/dbraw/zinc/15/45/41/335154541.db2.gz OWKXWGLFALESTJ-STQMWFEESA-N 1 1 296.392 3.047 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)cc1 ZINC000580551807 335278955 /nfs/dbraw/zinc/27/89/55/335278955.db2.gz KGGJDZWNNIUFOA-CVEARBPZSA-N 1 1 286.306 3.322 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000426476340 533821917 /nfs/dbraw/zinc/82/19/17/533821917.db2.gz ROTYZYYIHKMXFP-GXFFZTMASA-N 1 1 294.326 3.117 20 5 CGBDMO CC[N@@H+](CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000156606373 521082569 /nfs/dbraw/zinc/08/25/69/521082569.db2.gz FYWROZPWNVAQQL-AWEZNQCLSA-N 1 1 293.411 3.284 20 5 CGBDMO CCN(CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000156606373 521082574 /nfs/dbraw/zinc/08/25/74/521082574.db2.gz FYWROZPWNVAQQL-AWEZNQCLSA-N 1 1 293.411 3.284 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000441174952 528048056 /nfs/dbraw/zinc/04/80/56/528048056.db2.gz KGBSFSBTXRXRPZ-LBPRGKRZSA-N 1 1 296.367 3.103 20 5 CGBDMO CCOc1cc(C[N@H+]2CCC=C(C)C2)ccc1[N+](=O)[O-] ZINC000436268532 528263100 /nfs/dbraw/zinc/26/31/00/528263100.db2.gz GXHGQTLCNNZOJB-UHFFFAOYSA-N 1 1 276.336 3.146 20 5 CGBDMO CCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000486976745 535225688 /nfs/dbraw/zinc/22/56/88/535225688.db2.gz VXJCBOPOBCHLSU-UHFFFAOYSA-N 1 1 295.383 3.137 20 5 CGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000481404999 536179906 /nfs/dbraw/zinc/17/99/06/536179906.db2.gz SNTHYFNNWAPWLY-STQMWFEESA-N 1 1 278.352 3.094 20 5 CGBDMO CCCCCC[N@@H+](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000731892903 572434250 /nfs/dbraw/zinc/43/42/50/572434250.db2.gz ZWXSFOVCOGECJW-UHFFFAOYSA-N 1 1 293.367 3.045 20 5 CGBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000740870614 572462852 /nfs/dbraw/zinc/46/28/52/572462852.db2.gz GPNOPRPHYPHMLZ-NEPJUHHUSA-N 1 1 295.358 3.043 20 5 CGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000745948103 572840749 /nfs/dbraw/zinc/84/07/49/572840749.db2.gz BKLUEQNJXIKMDG-ZWNOBZJWSA-N 1 1 266.316 3.354 20 5 CGBDMO CC[C@@H](C)C[N@@H+](CC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000748262278 572971165 /nfs/dbraw/zinc/97/11/65/572971165.db2.gz NFZXXFAMNFMZPO-GFCCVEGCSA-N 1 1 290.367 3.270 20 5 CGBDMO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000926492454 618711060 /nfs/dbraw/zinc/71/10/60/618711060.db2.gz ACMCEQFKDNLFLB-VHSXEESVSA-N 1 1 291.307 3.003 20 5 CGBDMO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000926890029 618976943 /nfs/dbraw/zinc/97/69/43/618976943.db2.gz ACMCEQFKDNLFLB-NXEZZACHSA-N 1 1 291.307 3.003 20 5 CGBDMO Cc1noc(C)c1C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000051705883 619235604 /nfs/dbraw/zinc/23/56/04/619235604.db2.gz MLLPUKQXGAQREY-UHFFFAOYSA-N 1 1 289.335 3.140 20 5 CGBDMO Cc1noc(C)c1C[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000051705883 619235608 /nfs/dbraw/zinc/23/56/08/619235608.db2.gz MLLPUKQXGAQREY-UHFFFAOYSA-N 1 1 289.335 3.140 20 5 CGBDMO CO[C@@H]1CC[C@H](C)[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000895944692 619914089 /nfs/dbraw/zinc/91/40/89/619914089.db2.gz GNOAYYJWJKUBGP-KSLFURFDSA-N 1 1 290.363 3.107 20 5 CGBDMO CSCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000157578359 622912736 /nfs/dbraw/zinc/91/27/36/622912736.db2.gz NECVCNUNRRELPY-UHFFFAOYSA-N 1 1 288.800 3.433 20 5 CGBDMO CSCCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000157578359 622912746 /nfs/dbraw/zinc/91/27/46/622912746.db2.gz NECVCNUNRRELPY-UHFFFAOYSA-N 1 1 288.800 3.433 20 5 CGBDMO CC[N@@H+](CCSC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000830999444 623655407 /nfs/dbraw/zinc/65/54/07/623655407.db2.gz LUCKEYDTZFKFBR-UHFFFAOYSA-N 1 1 288.800 3.433 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C ZINC000154140787 624207962 /nfs/dbraw/zinc/20/79/62/624207962.db2.gz CGRYDWKCSYITJC-NXEZZACHSA-N 1 1 268.744 3.479 20 5 CGBDMO Cc1nn(C[N@H+](C(C)C)C2CC2)c2cc([N+](=O)[O-])ccc12 ZINC000179543509 624663585 /nfs/dbraw/zinc/66/35/85/624663585.db2.gz WMBFUHCABVNMEZ-UHFFFAOYSA-N 1 1 288.351 3.083 20 5 CGBDMO O=[N+]([O-])c1c(F)cccc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000764942733 627233618 /nfs/dbraw/zinc/23/36/18/627233618.db2.gz WRFQVIRKFDGTKL-GFCCVEGCSA-N 1 1 293.342 3.163 20 5 CGBDMO CC[C@H](NCC[N@@H+]1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000766269255 627308795 /nfs/dbraw/zinc/30/87/95/627308795.db2.gz MEKKGOLJRTWDLG-BBRMVZONSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[C@H](NCC[N@H+]1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000766269255 627308796 /nfs/dbraw/zinc/30/87/96/627308796.db2.gz MEKKGOLJRTWDLG-BBRMVZONSA-N 1 1 291.395 3.120 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[N@@H+]1CCC[C@H]1C ZINC000766273461 627311673 /nfs/dbraw/zinc/31/16/73/627311673.db2.gz PPHZYMSGNCOGLB-KGLIPLIRSA-N 1 1 291.395 3.038 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[N@H+]1CCC[C@H]1C ZINC000766273461 627311674 /nfs/dbraw/zinc/31/16/74/627311674.db2.gz PPHZYMSGNCOGLB-KGLIPLIRSA-N 1 1 291.395 3.038 20 5 CGBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H]2CCC2CCCC2)c1 ZINC000767761389 627435012 /nfs/dbraw/zinc/43/50/12/627435012.db2.gz NVJDBAXXKOLNPE-AWEZNQCLSA-N 1 1 292.383 3.184 20 5 CGBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H]2CCC2CCCC2)c1 ZINC000767761389 627435013 /nfs/dbraw/zinc/43/50/13/627435013.db2.gz NVJDBAXXKOLNPE-AWEZNQCLSA-N 1 1 292.383 3.184 20 5 CGBDMO C[C@@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774636040 628011176 /nfs/dbraw/zinc/01/11/76/628011176.db2.gz JGWQMLDJJVQZNT-SECBINFHSA-N 1 1 294.742 3.040 20 5 CGBDMO C[C@@H]1CCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774636040 628011180 /nfs/dbraw/zinc/01/11/80/628011180.db2.gz JGWQMLDJJVQZNT-SECBINFHSA-N 1 1 294.742 3.040 20 5 CGBDMO CC1CCC([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776272803 628187874 /nfs/dbraw/zinc/18/78/74/628187874.db2.gz WXKWNHQVIDYVAO-PXCJXSSVSA-N 1 1 292.379 3.139 20 5 CGBDMO C[C@@H]1CCC[C@H]([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278251 628188485 /nfs/dbraw/zinc/18/84/85/628188485.db2.gz SQUIRAHMFBMRKX-KCXAZCMYSA-N 1 1 292.379 3.139 20 5 CGBDMO CCC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587548 628222216 /nfs/dbraw/zinc/22/22/16/628222216.db2.gz WIOCZDQEGZYBSJ-CZUORRHYSA-N 1 1 292.379 3.140 20 5 CGBDMO Cc1nn(C[N@H+](CCC(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000779858445 628438487 /nfs/dbraw/zinc/43/84/87/628438487.db2.gz DYFGHLPXKHTNNB-UHFFFAOYSA-N 1 1 294.399 3.348 20 5 CGBDMO C[N@H+](Cc1ccoc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783547966 628723822 /nfs/dbraw/zinc/72/38/22/628723822.db2.gz XUMAPMKAGYIWMK-UHFFFAOYSA-N 1 1 280.711 3.473 20 5 CGBDMO C[N@@H+](Cc1ccoc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783547966 628723826 /nfs/dbraw/zinc/72/38/26/628723826.db2.gz XUMAPMKAGYIWMK-UHFFFAOYSA-N 1 1 280.711 3.473 20 5 CGBDMO Cn1cccc1C[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783570024 628727205 /nfs/dbraw/zinc/72/72/05/628727205.db2.gz TVPOHDNMKHEYRQ-UHFFFAOYSA-N 1 1 293.754 3.219 20 5 CGBDMO Cn1cccc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783570024 628727207 /nfs/dbraw/zinc/72/72/07/628727207.db2.gz TVPOHDNMKHEYRQ-UHFFFAOYSA-N 1 1 293.754 3.219 20 5 CGBDMO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n(C)n1 ZINC000793549783 629481883 /nfs/dbraw/zinc/48/18/83/629481883.db2.gz ZQUCYQHVYBUGFE-NWDGAFQWSA-N 1 1 288.351 3.049 20 5 CGBDMO C/C=C/C[C@@H]1CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000863339126 629536632 /nfs/dbraw/zinc/53/66/32/629536632.db2.gz ANTAIPJJXGPBPL-ISZGNANSSA-N 1 1 292.383 3.044 20 5 CGBDMO C/C=C/C[C@@H]1CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000863339126 629536638 /nfs/dbraw/zinc/53/66/38/629536638.db2.gz ANTAIPJJXGPBPL-ISZGNANSSA-N 1 1 292.383 3.044 20 5 CGBDMO CC[C@@H]([NH2+]Cc1cccnc1F)c1cccc([N+](=O)[O-])c1 ZINC000794836451 629585011 /nfs/dbraw/zinc/58/50/11/629585011.db2.gz PHUQFPBCVRZWCV-CQSZACIVSA-N 1 1 289.310 3.370 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2F)cc1[N+](=O)[O-] ZINC000794836604 629585092 /nfs/dbraw/zinc/58/50/92/629585092.db2.gz RKBLVULMNMKGPI-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO C[N@H+](Cc1cccc(O)c1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801519088 630340335 /nfs/dbraw/zinc/34/03/35/630340335.db2.gz FJUMOFVYQJPKRI-UHFFFAOYSA-N 1 1 290.294 3.072 20 5 CGBDMO C[N@@H+](Cc1cccc(O)c1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801519088 630340339 /nfs/dbraw/zinc/34/03/39/630340339.db2.gz FJUMOFVYQJPKRI-UHFFFAOYSA-N 1 1 290.294 3.072 20 5 CGBDMO C[C@@H]([NH2+][C@H]1C=CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085760 634010149 /nfs/dbraw/zinc/01/01/49/634010149.db2.gz QLHAHTLMFNMQNA-ZJUUUORDSA-N 1 1 250.273 3.103 20 5 CGBDMO CCc1ncc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000873184085 634273819 /nfs/dbraw/zinc/27/38/19/634273819.db2.gz BGYMSAMHRJXDSB-SNVBAGLBSA-N 1 1 291.376 3.465 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)Cc1ccoc1 ZINC000876632424 634870950 /nfs/dbraw/zinc/87/09/50/634870950.db2.gz KQRXNKXFTMNNGP-UHFFFAOYSA-N 1 1 274.320 3.437 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)Cc1ccoc1 ZINC000876632424 634870954 /nfs/dbraw/zinc/87/09/54/634870954.db2.gz KQRXNKXFTMNNGP-UHFFFAOYSA-N 1 1 274.320 3.437 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000133247182 636887965 /nfs/dbraw/zinc/88/79/65/636887965.db2.gz QPUQRWTZZKZEKM-VHSXEESVSA-N 1 1 268.744 3.479 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccoc2)c1 ZINC000133827065 636980928 /nfs/dbraw/zinc/98/09/28/636980928.db2.gz OVNKBCOZBIWSLY-UHFFFAOYSA-N 1 1 266.684 3.131 20 5 CGBDMO CC[C@@](C)([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000851901984 637538094 /nfs/dbraw/zinc/53/80/94/637538094.db2.gz OIESPJWVPXSYRS-OAHLLOKOSA-N 1 1 289.335 3.306 20 5 CGBDMO CC(F)(F)CCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000930100081 638974072 /nfs/dbraw/zinc/97/40/72/638974072.db2.gz QVYLGMSQJBCAJC-UHFFFAOYSA-N 1 1 284.306 3.388 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@H](C)CC1 ZINC000932346191 639318405 /nfs/dbraw/zinc/31/84/05/639318405.db2.gz HEWCUZGDGRVOKK-OLZOCXBDSA-N 1 1 278.352 3.075 20 5 CGBDMO C[C@@H]1CSCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000934304634 639577847 /nfs/dbraw/zinc/57/78/47/639577847.db2.gz VNDRSWIIHYGYMM-SNVBAGLBSA-N 1 1 284.356 3.061 20 5 CGBDMO C[C@@H]1CSCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000934304634 639577854 /nfs/dbraw/zinc/57/78/54/639577854.db2.gz VNDRSWIIHYGYMM-SNVBAGLBSA-N 1 1 284.356 3.061 20 5 CGBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)CC[N@H+]1C ZINC000158432704 640005078 /nfs/dbraw/zinc/00/50/78/640005078.db2.gz AUVZPQAAGVOTAA-ZJUUUORDSA-N 1 1 299.321 3.427 20 5 CGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1CCCC1 ZINC000094774841 640802386 /nfs/dbraw/zinc/80/23/86/640802386.db2.gz LXBRCMYDICKVPS-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO O=[N+]([O-])c1cc(Nc2ccc([C@@H]3CC[NH2+]C3)cc2)ccc1O ZINC001159775177 806168993 /nfs/dbraw/zinc/16/89/93/806168993.db2.gz CTUYIUXEKVDBFT-GFCCVEGCSA-N 1 1 299.330 3.121 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCCCO1 ZINC001254561638 806451390 /nfs/dbraw/zinc/45/13/90/806451390.db2.gz HIDSDUVBQQOZGV-HIFRSBDPSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CCCCO1 ZINC001254561637 806451819 /nfs/dbraw/zinc/45/18/19/806451819.db2.gz HIDSDUVBQQOZGV-DZGCQCFKSA-N 1 1 292.379 3.027 20 5 CGBDMO CC[C@@H]1C[N@@H+](C)CCCN1c1ccc([N+](=O)[O-])cc1Cl ZINC001163606363 806791270 /nfs/dbraw/zinc/79/12/70/806791270.db2.gz XZSIFEFAEWWCTG-LLVKDONJSA-N 1 1 297.786 3.169 20 5 CGBDMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000707697914 799977998 /nfs/dbraw/zinc/97/79/98/799977998.db2.gz UDQCNYXDXZSZRK-RYUDHWBXSA-N 1 1 298.383 3.450 20 5 CGBDMO CN(CCCCCC[NH3+])Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000710705063 800037946 /nfs/dbraw/zinc/03/79/46/800037946.db2.gz HNBZXPIJCQWFMF-UHFFFAOYSA-N 1 1 299.802 3.199 20 5 CGBDMO CCc1[nH+]c(C)cn1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000715150397 800133058 /nfs/dbraw/zinc/13/30/58/800133058.db2.gz FKIFUZZHZPBQEO-UHFFFAOYSA-N 1 1 279.727 3.364 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC001168202437 807348460 /nfs/dbraw/zinc/34/84/60/807348460.db2.gz USCWYSWAZXYDDZ-MNOVXSKESA-N 1 1 266.316 3.212 20 5 CGBDMO C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC001169021969 807554639 /nfs/dbraw/zinc/55/46/39/807554639.db2.gz BMDUWLKKOVESIA-YHXWVGAOSA-N 1 1 292.423 3.332 20 5 CGBDMO C[N@@H+](Cc1ccccc1Cl)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169027820 807554667 /nfs/dbraw/zinc/55/46/67/807554667.db2.gz QUBCKPAYELYQGG-DGCLKSJQSA-N 1 1 282.771 3.217 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001169029572 807555435 /nfs/dbraw/zinc/55/54/35/807555435.db2.gz UJMBSZGOSGSCQA-OIISXLGYSA-N 1 1 288.391 3.311 20 5 CGBDMO CC[C@@H]1c2ccccc2CC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036870 807556322 /nfs/dbraw/zinc/55/63/22/807556322.db2.gz HSWMJVDSRJYGMV-JLJPHGGASA-N 1 1 288.391 3.441 20 5 CGBDMO CC[N@@H+](Cc1cccc(F)c1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040205 807556990 /nfs/dbraw/zinc/55/69/90/807556990.db2.gz YSCSFNLCYFGYDG-UKRRQHHQSA-N 1 1 280.343 3.093 20 5 CGBDMO CC[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169050184 807559935 /nfs/dbraw/zinc/55/99/35/807559935.db2.gz ZGDBFQPDMVWOGU-HOTGVXAUSA-N 1 1 276.380 3.262 20 5 CGBDMO CC(C)(C)[NH+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001261233455 807717245 /nfs/dbraw/zinc/71/72/45/807717245.db2.gz SMQSRGQHMBIHGC-UHFFFAOYSA-N 1 1 297.786 3.169 20 5 CGBDMO CCC[N@@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908252 808475747 /nfs/dbraw/zinc/47/57/47/808475747.db2.gz LJZGZKRJAYLXKK-CQSZACIVSA-N 1 1 262.353 3.184 20 5 CGBDMO C[C@H]1CCC[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909468 808475798 /nfs/dbraw/zinc/47/57/98/808475798.db2.gz RYPVNIHISGTXJX-WFASDCNBSA-N 1 1 274.364 3.327 20 5 CGBDMO CCCO[C@@H]1CC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173225735 808541460 /nfs/dbraw/zinc/54/14/60/808541460.db2.gz FRGUDFBKVIFGPH-XJKSGUPXSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCn2cccc2[C@@H]1C ZINC001173233744 808543065 /nfs/dbraw/zinc/54/30/65/808543065.db2.gz MYJGUGQFANKTKT-KGLIPLIRSA-N 1 1 299.374 3.404 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCn2cccc2[C@@H]1C ZINC001173233744 808543071 /nfs/dbraw/zinc/54/30/71/808543071.db2.gz MYJGUGQFANKTKT-KGLIPLIRSA-N 1 1 299.374 3.404 20 5 CGBDMO Cc1ccc(CNc2ccc3[nH]c[nH+]c3c2)cc1[N+](=O)[O-] ZINC001178689013 809883646 /nfs/dbraw/zinc/88/36/46/809883646.db2.gz QKVQXBOZWFZINN-UHFFFAOYSA-N 1 1 282.303 3.392 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(Nc2ccc3[nH+]ccn3c2)c1 ZINC001187116487 810386429 /nfs/dbraw/zinc/38/64/29/810386429.db2.gz GYMDEMXZXUTJIZ-UHFFFAOYSA-N 1 1 268.276 3.295 20 5 CGBDMO C[C@@H](O[C@@H]1CCC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001223429539 816628631 /nfs/dbraw/zinc/62/86/31/816628631.db2.gz LMKAPZITRDQBSH-IUODEOHRSA-N 1 1 278.352 3.157 20 5 CGBDMO C[C@@H](O[C@H]1CCC[N@@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001224027778 816724121 /nfs/dbraw/zinc/72/41/21/816724121.db2.gz XXYLRFGORIBMCF-DOMZBBRYSA-N 1 1 278.352 3.157 20 5 CGBDMO C[C@H](OC[C@@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC001224707985 816861278 /nfs/dbraw/zinc/86/12/78/816861278.db2.gz UZBHGVCRJVPCNL-WFASDCNBSA-N 1 1 278.352 3.157 20 5 CGBDMO CC[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001226508966 817378950 /nfs/dbraw/zinc/37/89/50/817378950.db2.gz INMLKIWBOLASHC-LBPRGKRZSA-N 1 1 286.331 3.221 20 5 CGBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccccc1[N+](=O)[O-])C2 ZINC001227478795 817658216 /nfs/dbraw/zinc/65/82/16/817658216.db2.gz CDSFJWVCKXPWJF-WDNDVIMCSA-N 1 1 290.363 3.377 20 5 CGBDMO O=[N+]([O-])c1ccccc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001227482952 817659449 /nfs/dbraw/zinc/65/94/49/817659449.db2.gz PRAQBYGYCCZACU-OAHLLOKOSA-N 1 1 298.342 3.248 20 5 CGBDMO C[C@H](Oc1ccc2[nH+]ccn2c1)c1cccc([N+](=O)[O-])c1 ZINC001233755756 818699074 /nfs/dbraw/zinc/69/90/74/818699074.db2.gz UBQBUCPWWUPVIQ-NSHDSACASA-N 1 1 283.287 3.383 20 5 CGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCC23CCC3)cc1 ZINC000444784380 927941555 /nfs/dbraw/zinc/94/15/55/927941555.db2.gz VKLNXCAVUWDJKZ-UHFFFAOYSA-N 1 1 290.363 3.382 20 5 CGBDMO C[Si](C)(C)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001459686684 937496393 /nfs/dbraw/zinc/49/63/93/937496393.db2.gz MOVSRKMGQJBPBI-UHFFFAOYSA-N 1 1 278.428 3.437 20 5 CGBDMO C[C@]12C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001460858769 937549840 /nfs/dbraw/zinc/54/98/40/937549840.db2.gz KHVQUHZCTVYFSU-HDEZJCGLSA-N 1 1 284.359 3.239 20 5 CGBDMO Cc1cc(O[C@@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC001230471464 932576304 /nfs/dbraw/zinc/57/63/04/932576304.db2.gz HJDYKKXZBFMWEK-CYBMUJFWSA-N 1 1 278.352 3.073 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001307440911 932952353 /nfs/dbraw/zinc/95/23/53/932952353.db2.gz VOTVFKQBQNIABW-NSHDSACASA-N 1 1 266.316 3.356 20 5 CGBDMO CC[C@H](C)C[N@@H+](CC)CCOc1ccc([N+](=O)[O-])cc1 ZINC001307510514 932962702 /nfs/dbraw/zinc/96/27/02/932962702.db2.gz GSMDFIMWFULPFJ-ZDUSSCGKSA-N 1 1 280.368 3.342 20 5 CGBDMO CCCC[C@@H](C)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001307821754 933005729 /nfs/dbraw/zinc/00/57/29/933005729.db2.gz RJFILSRHKDLHKW-CYBMUJFWSA-N 1 1 280.368 3.484 20 5 CGBDMO C[C@H](N[C@H]1CCCC[C@H]1[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC001319383920 933865773 /nfs/dbraw/zinc/86/57/73/933865773.db2.gz PAYXOIPCKOCGJR-VBNZEHGJSA-N 1 1 291.395 3.118 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCC1CCC1)C2 ZINC001327546520 935068770 /nfs/dbraw/zinc/06/87/70/935068770.db2.gz LXSNVAYEIFNGCV-UHFFFAOYSA-N 1 1 260.337 3.491 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCC1CCC1)C2 ZINC001327546520 935068776 /nfs/dbraw/zinc/06/87/76/935068776.db2.gz LXSNVAYEIFNGCV-UHFFFAOYSA-N 1 1 260.337 3.491 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@]1(C)CCCCO1 ZINC001474516899 937864294 /nfs/dbraw/zinc/86/42/94/937864294.db2.gz LYNCCNBFYVZRFP-MRXNPFEDSA-N 1 1 292.379 3.028 20 5 CGBDMO Cc1[nH]c(CNc2ncc([N+](=O)[O-])c3ccccc32)c(C)[nH+]1 ZINC001559283822 938224484 /nfs/dbraw/zinc/22/44/84/938224484.db2.gz APNSDLZLDWKYJM-UHFFFAOYSA-N 1 1 297.318 3.095 20 5 CGBDMO CCC[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001559632890 938231415 /nfs/dbraw/zinc/23/14/15/938231415.db2.gz RGSWWEZUBYZYQN-AWEZNQCLSA-N 1 1 292.379 3.486 20 5 CGBDMO COc1ccc(C[N@H+]2CC[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000591061812 346897300 /nfs/dbraw/zinc/89/73/00/346897300.db2.gz JFNXLOGSXDDZAL-CQSZACIVSA-N 1 1 290.363 3.225 20 5 CGBDMO CC[C@H]([NH2+][C@H](CN)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423535820 529668697 /nfs/dbraw/zinc/66/86/97/529668697.db2.gz YMXGPJFVMISOTH-JKSUJKDBSA-N 1 1 291.395 3.153 20 5 CGBDMO CCc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000411485328 529657573 /nfs/dbraw/zinc/65/75/73/529657573.db2.gz GAHDAKRRNGSOII-GFCCVEGCSA-N 1 1 285.347 3.403 20 5 CGBDMO CSCC[C@H](C)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000126423962 187239677 /nfs/dbraw/zinc/23/96/77/187239677.db2.gz DDJFUGGZEYASNI-LBPRGKRZSA-N 1 1 282.409 3.211 20 5 CGBDMO CC(C)O[C@@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000592133928 346965970 /nfs/dbraw/zinc/96/59/70/346965970.db2.gz ACRFPEAGYBPRQF-SWLSCSKDSA-N 1 1 278.352 3.155 20 5 CGBDMO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000592186238 346969937 /nfs/dbraw/zinc/96/99/37/346969937.db2.gz BEHWCDGFYQAGIP-ZDUSSCGKSA-N 1 1 290.363 3.128 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000592186238 346969940 /nfs/dbraw/zinc/96/99/40/346969940.db2.gz BEHWCDGFYQAGIP-ZDUSSCGKSA-N 1 1 290.363 3.128 20 5 CGBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC000592188348 346970315 /nfs/dbraw/zinc/97/03/15/346970315.db2.gz MUMNOVYIZPGXCJ-ZDUSSCGKSA-N 1 1 290.363 3.128 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC000592188348 346970318 /nfs/dbraw/zinc/97/03/18/346970318.db2.gz MUMNOVYIZPGXCJ-ZDUSSCGKSA-N 1 1 290.363 3.128 20 5 CGBDMO CC(C)O[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000593055883 347033818 /nfs/dbraw/zinc/03/38/18/347033818.db2.gz STDVKHUAHVEWLS-LBPRGKRZSA-N 1 1 284.381 3.046 20 5 CGBDMO CC(C)O[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000593055883 347033819 /nfs/dbraw/zinc/03/38/19/347033819.db2.gz STDVKHUAHVEWLS-LBPRGKRZSA-N 1 1 284.381 3.046 20 5 CGBDMO C[N@@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000042977375 344991510 /nfs/dbraw/zinc/99/15/10/344991510.db2.gz LFAKODPKMBUROF-UHFFFAOYSA-N 1 1 262.334 3.288 20 5 CGBDMO CCCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000051854637 345093415 /nfs/dbraw/zinc/09/34/15/345093415.db2.gz UFGJXDJWAIXYAC-UHFFFAOYSA-N 1 1 278.352 3.368 20 5 CGBDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)on1 ZINC000052009576 345095920 /nfs/dbraw/zinc/09/59/20/345095920.db2.gz QUTOIHHXBNJARH-AWEZNQCLSA-N 1 1 287.319 3.228 20 5 CGBDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)on1 ZINC000052009576 345095924 /nfs/dbraw/zinc/09/59/24/345095924.db2.gz QUTOIHHXBNJARH-AWEZNQCLSA-N 1 1 287.319 3.228 20 5 CGBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000055898703 345157621 /nfs/dbraw/zinc/15/76/21/345157621.db2.gz GECRMDXEMOLJIV-UHFFFAOYSA-N 1 1 290.319 3.089 20 5 CGBDMO CC[C@H]([NH2+]Cc1nccn1CC)c1cccc([N+](=O)[O-])c1 ZINC000090224496 345786512 /nfs/dbraw/zinc/78/65/12/345786512.db2.gz WWGPIAQRWWFDLF-AWEZNQCLSA-N 1 1 288.351 3.052 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC12CCCC2 ZINC000593647264 347098312 /nfs/dbraw/zinc/09/83/12/347098312.db2.gz ZVYWBWUYUSHISL-UHFFFAOYSA-N 1 1 260.337 3.422 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)OCC12CCC2 ZINC000593678667 347103023 /nfs/dbraw/zinc/10/30/23/347103023.db2.gz DPCQDHMGZPRAPI-ZDUSSCGKSA-N 1 1 290.363 3.047 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000593678667 347103026 /nfs/dbraw/zinc/10/30/26/347103026.db2.gz DPCQDHMGZPRAPI-ZDUSSCGKSA-N 1 1 290.363 3.047 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593698801 347105232 /nfs/dbraw/zinc/10/52/32/347105232.db2.gz XGUKNQBMQQMBLZ-CYBMUJFWSA-N 1 1 282.290 3.134 20 5 CGBDMO CC(C)C[N@@H+](C)CCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000593715231 347106540 /nfs/dbraw/zinc/10/65/40/347106540.db2.gz JRDJHWCGFHYTHO-CQSZACIVSA-N 1 1 293.411 3.223 20 5 CGBDMO Cc1noc(C[N@H+]2CCC[C@H]2CC(C)(C)C)c1[N+](=O)[O-] ZINC000595297126 347288072 /nfs/dbraw/zinc/28/80/72/347288072.db2.gz POJQAOFGMCZZLL-NSHDSACASA-N 1 1 281.356 3.292 20 5 CGBDMO CC[C@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595304450 347289979 /nfs/dbraw/zinc/28/99/79/347289979.db2.gz FSQJRYZISMTWJM-LBPRGKRZSA-N 1 1 252.289 3.108 20 5 CGBDMO Cc1noc(C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000595327995 347293364 /nfs/dbraw/zinc/29/33/64/347293364.db2.gz TXSFNASOSCXONP-USWWRNFRSA-N 1 1 279.340 3.044 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC2(CCC2)C1 ZINC000595344922 347295117 /nfs/dbraw/zinc/29/51/17/347295117.db2.gz ONNLSMIRDYIZOM-UHFFFAOYSA-N 1 1 264.300 3.110 20 5 CGBDMO Cc1noc(C[N@H+](C(C)C)C2CCCCC2)c1[N+](=O)[O-] ZINC000595367332 347296623 /nfs/dbraw/zinc/29/66/23/347296623.db2.gz ZEJFWUJDROFXOO-UHFFFAOYSA-N 1 1 281.356 3.434 20 5 CGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595408875 347299435 /nfs/dbraw/zinc/29/94/35/347299435.db2.gz CLAUWRBXQJTKKR-ZWNOBZJWSA-N 1 1 266.316 3.497 20 5 CGBDMO CC[C@@H](C)[N@@H+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595593996 347322906 /nfs/dbraw/zinc/32/29/06/347322906.db2.gz VPTMYQOUHLMTTN-LLVKDONJSA-N 1 1 294.351 3.082 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000595755530 347350814 /nfs/dbraw/zinc/35/08/14/347350814.db2.gz NKSWDNOJXQPQCJ-GFCCVEGCSA-N 1 1 296.342 3.175 20 5 CGBDMO CCc1nocc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000595509493 347313738 /nfs/dbraw/zinc/31/37/38/347313738.db2.gz GHTODCBMXLTWBX-UHFFFAOYSA-N 1 1 289.335 3.170 20 5 CGBDMO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000602019766 347934273 /nfs/dbraw/zinc/93/42/73/347934273.db2.gz HUDWZXTUWOJWAF-GXTWGEPZSA-N 1 1 291.395 3.024 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(F)cn1 ZINC000610833598 348405758 /nfs/dbraw/zinc/40/57/58/348405758.db2.gz OTONERSJYNRYCF-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(F)cn1 ZINC000610833599 348405935 /nfs/dbraw/zinc/40/59/35/348405935.db2.gz OTONERSJYNRYCF-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CC1 ZINC000610581112 348391330 /nfs/dbraw/zinc/39/13/30/348391330.db2.gz KQPGRECTLIZYGE-UHFFFAOYSA-N 1 1 289.335 3.356 20 5 CGBDMO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)C ZINC000610581695 348391471 /nfs/dbraw/zinc/39/14/71/348391471.db2.gz BCEHBIGHURKONJ-UHFFFAOYSA-N 1 1 277.324 3.214 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501838 348456802 /nfs/dbraw/zinc/45/68/02/348456802.db2.gz ITZHMYBHXYTQQY-JTNHKYCSSA-N 1 1 266.316 3.336 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501838 348456804 /nfs/dbraw/zinc/45/68/04/348456804.db2.gz ITZHMYBHXYTQQY-JTNHKYCSSA-N 1 1 266.316 3.336 20 5 CGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+]([C@@H]1CCc3ccccc31)CC2 ZINC000618753811 349152942 /nfs/dbraw/zinc/15/29/42/349152942.db2.gz WQRASCVEIPCMBM-QGZVFWFLSA-N 1 1 295.342 3.035 20 5 CGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+]([C@@H]1CCc3ccccc31)CC2 ZINC000618753811 349152946 /nfs/dbraw/zinc/15/29/46/349152946.db2.gz WQRASCVEIPCMBM-QGZVFWFLSA-N 1 1 295.342 3.035 20 5 CGBDMO CSC[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000292378361 198265504 /nfs/dbraw/zinc/26/55/04/198265504.db2.gz JJHAYUFXAHZPBI-CYBMUJFWSA-N 1 1 294.420 3.478 20 5 CGBDMO CCc1[nH+]ccn1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000158713279 188390227 /nfs/dbraw/zinc/39/02/27/188390227.db2.gz HTZZWXKCJWPMBL-UHFFFAOYSA-N 1 1 289.335 3.189 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCOCC1CC1 ZINC000158620462 188385695 /nfs/dbraw/zinc/38/56/95/188385695.db2.gz CKNPGTSYJXKYHN-GFCCVEGCSA-N 1 1 278.352 3.014 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+][C@@H](CN)C2CCCC2)cc1[N+](=O)[O-] ZINC000423501475 236088675 /nfs/dbraw/zinc/08/86/75/236088675.db2.gz DQDPJWBYDUZQKF-DOMZBBRYSA-N 1 1 291.395 3.071 20 5 CGBDMO COC[C@@]1(C)CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000296843837 200012606 /nfs/dbraw/zinc/01/26/06/200012606.db2.gz SVHCKWUZVSXTLR-DOMZBBRYSA-N 1 1 278.352 3.014 20 5 CGBDMO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000177058218 189024539 /nfs/dbraw/zinc/02/45/39/189024539.db2.gz IKZIERATQHASGN-LBPRGKRZSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000177058218 189024540 /nfs/dbraw/zinc/02/45/40/189024540.db2.gz IKZIERATQHASGN-LBPRGKRZSA-N 1 1 271.320 3.183 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000182771506 189334335 /nfs/dbraw/zinc/33/43/35/189334335.db2.gz ACUQHHBQUZXZGH-KGLIPLIRSA-N 1 1 292.379 3.323 20 5 CGBDMO C[C@H](c1cccnc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000120508577 370774164 /nfs/dbraw/zinc/77/41/64/370774164.db2.gz QIOQMGRSZYQOII-GFCCVEGCSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000120508577 370774168 /nfs/dbraw/zinc/77/41/68/370774168.db2.gz QIOQMGRSZYQOII-GFCCVEGCSA-N 1 1 271.320 3.183 20 5 CGBDMO CS[C@@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000451309822 240272223 /nfs/dbraw/zinc/27/22/23/240272223.db2.gz DUGAPSXRNVQKMB-GXFFZTMASA-N 1 1 266.366 3.093 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000221019653 189723815 /nfs/dbraw/zinc/72/38/15/189723815.db2.gz LOKURYDMFBIIIB-GFCCVEGCSA-N 1 1 265.357 3.045 20 5 CGBDMO COc1ccc(C[N@@H+](C)C2CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000459740227 242200511 /nfs/dbraw/zinc/20/05/11/242200511.db2.gz TYYWPBUACWNWHH-UHFFFAOYSA-N 1 1 278.352 3.224 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000463494552 242399685 /nfs/dbraw/zinc/39/96/85/242399685.db2.gz XALWCCJTRLZNTP-SNVBAGLBSA-N 1 1 284.331 3.363 20 5 CGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000482952990 243253758 /nfs/dbraw/zinc/25/37/58/243253758.db2.gz VWBVLIJCWZYIDZ-QGZVFWFLSA-N 1 1 298.342 3.421 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC(C)(C)O1 ZINC000330615933 203042923 /nfs/dbraw/zinc/04/29/23/203042923.db2.gz VEZNGGRHBLZYNR-CQSZACIVSA-N 1 1 292.379 3.027 20 5 CGBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000020007116 368793823 /nfs/dbraw/zinc/79/38/23/368793823.db2.gz YHTWLQINBQXTIW-LLVKDONJSA-N 1 1 283.759 3.144 20 5 CGBDMO COc1ccc(C[NH2+][C@H](C)c2ccco2)cc1[N+](=O)[O-] ZINC000035739325 369004652 /nfs/dbraw/zinc/00/46/52/369004652.db2.gz ODZFNZNMYBOQGZ-SNVBAGLBSA-N 1 1 276.292 3.047 20 5 CGBDMO CC(C)N1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000037117810 369063032 /nfs/dbraw/zinc/06/30/32/369063032.db2.gz IOTIHHADYUXQGS-ZDUSSCGKSA-N 1 1 291.395 3.118 20 5 CGBDMO CCC[C@H]([NH2+][C@H](C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553718 369408723 /nfs/dbraw/zinc/40/87/23/369408723.db2.gz IILYKMLIQFPNSO-CJNGLKHVSA-N 1 1 293.411 3.366 20 5 CGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccnc1 ZINC000049963370 369425058 /nfs/dbraw/zinc/42/50/58/369425058.db2.gz UYACBRYTRKGXEX-JTQLQIEISA-N 1 1 291.738 3.494 20 5 CGBDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093419082 370127531 /nfs/dbraw/zinc/12/75/31/370127531.db2.gz MGZJDIFXKWLPBT-HNNXBMFYSA-N 1 1 292.379 3.152 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000103482357 370330828 /nfs/dbraw/zinc/33/08/28/370330828.db2.gz KURPTRISJHXQRS-AWEZNQCLSA-N 1 1 278.327 3.498 20 5 CGBDMO CCc1[nH+]ccn1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000104291812 370342891 /nfs/dbraw/zinc/34/28/91/370342891.db2.gz CZWYWXCHSWEBIQ-UHFFFAOYSA-N 1 1 265.700 3.055 20 5 CGBDMO CC[C@H](C)[N@@H+](C)CCNc1c(C)cccc1[N+](=O)[O-] ZINC000220304452 376207435 /nfs/dbraw/zinc/20/74/35/376207435.db2.gz BMHQQHUMFPWHPO-LBPRGKRZSA-N 1 1 265.357 3.045 20 5 CGBDMO CC(C)COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000337310743 376207982 /nfs/dbraw/zinc/20/79/82/376207982.db2.gz BIAPCIVHLGQVBM-UHFFFAOYSA-N 1 1 292.379 3.232 20 5 CGBDMO CCCC[N@@H+](CC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000158976094 372095320 /nfs/dbraw/zinc/09/53/20/372095320.db2.gz YJVLHBBBSRPEQA-UHFFFAOYSA-N 1 1 296.367 3.234 20 5 CGBDMO O=[N+]([O-])c1ccccc1CNc1cccc(C2CC2)[nH+]1 ZINC000292986269 372269516 /nfs/dbraw/zinc/26/95/16/372269516.db2.gz NNFDUAHGUNBLNW-UHFFFAOYSA-N 1 1 269.304 3.479 20 5 CGBDMO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000294172129 372601547 /nfs/dbraw/zinc/60/15/47/372601547.db2.gz RNOVCFWKBPNFRT-SUNKGSAMSA-N 1 1 286.335 3.148 20 5 CGBDMO COC[C@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000294175018 372603678 /nfs/dbraw/zinc/60/36/78/372603678.db2.gz JQYNYAJPONCJIA-CQSZACIVSA-N 1 1 298.770 3.107 20 5 CGBDMO COC[C@]1(C)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000294175018 372603686 /nfs/dbraw/zinc/60/36/86/372603686.db2.gz JQYNYAJPONCJIA-CQSZACIVSA-N 1 1 298.770 3.107 20 5 CGBDMO Cc1cnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000173448412 373142683 /nfs/dbraw/zinc/14/26/83/373142683.db2.gz LKWVZGQLSLPMJV-SNVBAGLBSA-N 1 1 277.349 3.211 20 5 CGBDMO CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000174817382 373368718 /nfs/dbraw/zinc/36/87/18/373368718.db2.gz BLHBDWALKVOKIK-UHFFFAOYSA-N 1 1 254.717 3.233 20 5 CGBDMO C[C@@H](CNc1cccc(F)c1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000301100869 373661500 /nfs/dbraw/zinc/66/15/00/373661500.db2.gz ONFAEXYHCBTDMF-RYUDHWBXSA-N 1 1 295.358 3.266 20 5 CGBDMO Cc1cccc(NC[C@@H]2CC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000302514377 373886112 /nfs/dbraw/zinc/88/61/12/373886112.db2.gz UPJHEKQYCHNHQB-AWEZNQCLSA-N 1 1 291.395 3.293 20 5 CGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000185602134 374695885 /nfs/dbraw/zinc/69/58/85/374695885.db2.gz ZEKQYTWZHUEFLO-MWLCHTKSSA-N 1 1 254.355 3.277 20 5 CGBDMO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000472264965 375014756 /nfs/dbraw/zinc/01/47/56/375014756.db2.gz QNWWSPNGLYBMRU-GFCCVEGCSA-N 1 1 262.353 3.258 20 5 CGBDMO COc1ccc(F)cc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000189209147 375342325 /nfs/dbraw/zinc/34/23/25/375342325.db2.gz HJSJASZMFCLPKF-UHFFFAOYSA-N 1 1 290.294 3.032 20 5 CGBDMO CO[C@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000189290530 375357828 /nfs/dbraw/zinc/35/78/28/375357828.db2.gz IJKSPZAWCZRZKK-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000189290530 375357832 /nfs/dbraw/zinc/35/78/32/375357832.db2.gz IJKSPZAWCZRZKK-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000507146853 375678563 /nfs/dbraw/zinc/67/85/63/375678563.db2.gz XYMILYGFSFMMOH-UHFFFAOYSA-N 1 1 250.342 3.463 20 5 CGBDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336810828 375963161 /nfs/dbraw/zinc/96/31/61/375963161.db2.gz JPTVQCSEHZTFCF-JQWIXIFHSA-N 1 1 266.316 3.497 20 5 CGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2C3CCC2CC3)c1 ZINC000535783440 376059148 /nfs/dbraw/zinc/05/91/48/376059148.db2.gz NNPOBNFPNIQNEN-UHFFFAOYSA-N 1 1 298.289 3.323 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000542703775 376569499 /nfs/dbraw/zinc/56/94/99/376569499.db2.gz WIMYVZDQPCSXDP-TXEJJXNPSA-N 1 1 280.393 3.229 20 5 CGBDMO CC1=CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000339659499 376790452 /nfs/dbraw/zinc/79/04/52/376790452.db2.gz GBVJMHMOQVBAHT-UHFFFAOYSA-N 1 1 276.336 3.016 20 5 CGBDMO C[C@H]1C[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000090795029 249029090 /nfs/dbraw/zinc/02/90/90/249029090.db2.gz FPMFOTBLMDQZTG-ONGXEEELSA-N 1 1 283.759 3.143 20 5 CGBDMO CCC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000574051799 377611791 /nfs/dbraw/zinc/61/17/91/377611791.db2.gz YIXMLXQPJJCLCD-UHFFFAOYSA-N 1 1 272.295 3.493 20 5 CGBDMO CCC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000574051799 377611798 /nfs/dbraw/zinc/61/17/98/377611798.db2.gz YIXMLXQPJJCLCD-UHFFFAOYSA-N 1 1 272.295 3.493 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC[C@H]1CCCO1 ZINC000342591038 377676857 /nfs/dbraw/zinc/67/68/57/377676857.db2.gz DFTISGQFBWNHSN-CHWSQXEVSA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000575135316 377753149 /nfs/dbraw/zinc/75/31/49/377753149.db2.gz ZZISNGHMVJTQRR-HNNXBMFYSA-N 1 1 297.358 3.288 20 5 CGBDMO CCC(CC)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000580137015 378226555 /nfs/dbraw/zinc/22/65/55/378226555.db2.gz AECZDALJTCEIOG-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H]2CCSC2)C2CC2)cc1 ZINC000278475732 194002706 /nfs/dbraw/zinc/00/27/06/194002706.db2.gz RDHLDJXKHJZQGY-CYBMUJFWSA-N 1 1 292.404 3.312 20 5 CGBDMO CC1(C)CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352013097 379749932 /nfs/dbraw/zinc/74/99/32/379749932.db2.gz HRXJZIAWXWNVND-UHFFFAOYSA-N 1 1 270.279 3.247 20 5 CGBDMO CC1(C)CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352013097 379749935 /nfs/dbraw/zinc/74/99/35/379749935.db2.gz HRXJZIAWXWNVND-UHFFFAOYSA-N 1 1 270.279 3.247 20 5 CGBDMO COc1cc(C[N@@H+](C)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000352407906 379799046 /nfs/dbraw/zinc/79/90/46/379799046.db2.gz WESJMLMRGHSPQQ-UHFFFAOYSA-N 1 1 266.341 3.081 20 5 CGBDMO C[C@@H]([N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F)C1(C)CC1 ZINC000352617389 379880425 /nfs/dbraw/zinc/88/04/25/379880425.db2.gz BTPQXWXRHWZFOK-SNVBAGLBSA-N 1 1 266.316 3.354 20 5 CGBDMO CC(C)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000207393103 542283914 /nfs/dbraw/zinc/28/39/14/542283914.db2.gz YHNUBFWVKWYOPL-AWEZNQCLSA-N 1 1 262.353 3.463 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H](C)C1 ZINC000360601417 381590599 /nfs/dbraw/zinc/59/05/99/381590599.db2.gz XJESFIZEVQCUEN-GFCCVEGCSA-N 1 1 278.352 3.225 20 5 CGBDMO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000288656650 197138953 /nfs/dbraw/zinc/13/89/53/197138953.db2.gz VMOJVMBOJBJRNX-ZBEGNZNMSA-N 1 1 284.315 3.207 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@@H]2C2CC2)c([N+](=O)[O-])cc1F ZINC000372063536 392580794 /nfs/dbraw/zinc/58/07/94/392580794.db2.gz SEUMEIIGOLHYQC-CYBMUJFWSA-N 1 1 294.326 3.117 20 5 CGBDMO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509122688 392737892 /nfs/dbraw/zinc/73/78/92/392737892.db2.gz LCQLJLZHVBDNGD-XPTSAGLGSA-N 1 1 284.306 3.493 20 5 CGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509122688 392737903 /nfs/dbraw/zinc/73/79/03/392737903.db2.gz LCQLJLZHVBDNGD-XPTSAGLGSA-N 1 1 284.306 3.493 20 5 CGBDMO CC(C)[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509390150 392748529 /nfs/dbraw/zinc/74/85/29/392748529.db2.gz UCRGEILLTVRKIW-JTQLQIEISA-N 1 1 284.306 3.351 20 5 CGBDMO CC(C)[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509390150 392748534 /nfs/dbraw/zinc/74/85/34/392748534.db2.gz UCRGEILLTVRKIW-JTQLQIEISA-N 1 1 284.306 3.351 20 5 CGBDMO C[C@H]1CC[C@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000191026377 392818754 /nfs/dbraw/zinc/81/87/54/392818754.db2.gz CDHQHVUYGATGJT-BLLLJJGKSA-N 1 1 290.363 3.127 20 5 CGBDMO CC1(C)CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000525639254 392943519 /nfs/dbraw/zinc/94/35/19/392943519.db2.gz ZUIGRXCEJYYDQX-UHFFFAOYSA-N 1 1 292.379 3.486 20 5 CGBDMO CCC[C@]1(COC)CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000194940539 392947670 /nfs/dbraw/zinc/94/76/70/392947670.db2.gz CXVLZCONOVACBP-CQSZACIVSA-N 1 1 298.408 3.437 20 5 CGBDMO CO[C@H]1CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470175663 393228782 /nfs/dbraw/zinc/22/87/82/393228782.db2.gz RFNCQDXOLLYCGX-WQMJKPAKSA-N 1 1 290.363 3.109 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C1CCC1 ZINC000470178154 393231553 /nfs/dbraw/zinc/23/15/53/393231553.db2.gz IJKQSAPPXWRRBM-XFXZXTDPSA-N 1 1 260.337 3.482 20 5 CGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000471174233 393277004 /nfs/dbraw/zinc/27/70/04/393277004.db2.gz YPUXVAZARSKVBP-QGZVFWFLSA-N 1 1 298.342 3.421 20 5 CGBDMO CC[C@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430194774 393535708 /nfs/dbraw/zinc/53/57/08/393535708.db2.gz KXOAIQZCWSALDE-NSHDSACASA-N 1 1 266.341 3.081 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)C1CCC1 ZINC000430199656 393537550 /nfs/dbraw/zinc/53/75/50/393537550.db2.gz DAYRURNKURMOGD-NSHDSACASA-N 1 1 278.352 3.224 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccncn2)cc1[N+](=O)[O-] ZINC000453147267 394188054 /nfs/dbraw/zinc/18/80/54/394188054.db2.gz JBCPKWDXWJXUDY-NEPJUHHUSA-N 1 1 286.335 3.105 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000182591269 292295934 /nfs/dbraw/zinc/29/59/34/292295934.db2.gz IHPRDJDKYGHEDZ-LBPRGKRZSA-N 1 1 278.352 3.075 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000182591269 292295936 /nfs/dbraw/zinc/29/59/36/292295936.db2.gz IHPRDJDKYGHEDZ-LBPRGKRZSA-N 1 1 278.352 3.075 20 5 CGBDMO C[C@H](c1ccco1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000069066469 165049087 /nfs/dbraw/zinc/04/90/87/165049087.db2.gz RODHEGJMFRMRLB-GFCCVEGCSA-N 1 1 274.320 3.423 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cs1 ZINC000075769146 165105242 /nfs/dbraw/zinc/10/52/42/165105242.db2.gz FWDPOVFYRFGMJB-RYUDHWBXSA-N 1 1 266.366 3.421 20 5 CGBDMO CC(C)[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000076065899 165109601 /nfs/dbraw/zinc/10/96/01/165109601.db2.gz MNHQRJXUKWCVSD-LLVKDONJSA-N 1 1 286.422 3.230 20 5 CGBDMO CC(C)[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000076065899 165109605 /nfs/dbraw/zinc/10/96/05/165109605.db2.gz MNHQRJXUKWCVSD-LLVKDONJSA-N 1 1 286.422 3.230 20 5 CGBDMO CC[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000093502057 287117143 /nfs/dbraw/zinc/11/71/43/287117143.db2.gz HNNTWYCVSLFPLH-DYLGSBMWSA-N 1 1 292.404 3.435 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000096482958 287123956 /nfs/dbraw/zinc/12/39/56/287123956.db2.gz BKPIXQYMTOFCRI-ZDUSSCGKSA-N 1 1 277.368 3.045 20 5 CGBDMO Cc1cnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000285303371 196245756 /nfs/dbraw/zinc/24/57/56/196245756.db2.gz LKXJEQHNGPBSJZ-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO Cc1cnc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000285303371 196245758 /nfs/dbraw/zinc/24/57/58/196245758.db2.gz LKXJEQHNGPBSJZ-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000285439506 196284207 /nfs/dbraw/zinc/28/42/07/196284207.db2.gz CUGAXYXOJCSLDB-YPMHNXCESA-N 1 1 298.408 3.172 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1nccs1 ZINC000128170890 287305059 /nfs/dbraw/zinc/30/50/59/287305059.db2.gz KWPOYSWMBXEMFP-SNVBAGLBSA-N 1 1 277.349 3.211 20 5 CGBDMO Cc1cc(NCC[N@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000071377657 176142908 /nfs/dbraw/zinc/14/29/08/176142908.db2.gz VSATXJPBWJVAOW-UHFFFAOYSA-N 1 1 277.368 3.190 20 5 CGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CCCCC1 ZINC000195718806 270084999 /nfs/dbraw/zinc/08/49/99/270084999.db2.gz JCOLQQLFKQZRSZ-UHFFFAOYSA-N 1 1 292.379 3.486 20 5 CGBDMO CC(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)cc1[N+](=O)[O-] ZINC000459749823 276053267 /nfs/dbraw/zinc/05/32/67/276053267.db2.gz IXDSZWNTZGIXBP-STQMWFEESA-N 1 1 292.404 3.408 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)cc1[N+](=O)[O-] ZINC000459749823 276053268 /nfs/dbraw/zinc/05/32/68/276053268.db2.gz IXDSZWNTZGIXBP-STQMWFEESA-N 1 1 292.404 3.408 20 5 CGBDMO CCC(CC)[N@@H+](CCOC)CCc1ccc([N+](=O)[O-])cc1 ZINC000477417664 276210460 /nfs/dbraw/zinc/21/04/60/276210460.db2.gz XHUJODNAPRJEBW-UHFFFAOYSA-N 1 1 294.395 3.274 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1[C@H](C)C[C@H]1C ZINC000548753978 289021028 /nfs/dbraw/zinc/02/10/28/289021028.db2.gz BDRMWLWDKCQBAZ-VXGBXAGGSA-N 1 1 278.352 3.365 20 5 CGBDMO CC(C)O[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000577748810 335396728 /nfs/dbraw/zinc/39/67/28/335396728.db2.gz RYVARTKXECOFSX-LLVKDONJSA-N 1 1 298.770 3.248 20 5 CGBDMO CC(C)O[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000577748810 335396729 /nfs/dbraw/zinc/39/67/29/335396729.db2.gz RYVARTKXECOFSX-LLVKDONJSA-N 1 1 298.770 3.248 20 5 CGBDMO CC[N@@H+](CCC1CC1)Cc1csc([N+](=O)[O-])c1 ZINC000355058030 528425209 /nfs/dbraw/zinc/42/52/09/528425209.db2.gz MARLJRLHNLAYLD-UHFFFAOYSA-N 1 1 254.355 3.278 20 5 CGBDMO CCCC[C@@H](CN)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423303757 528823307 /nfs/dbraw/zinc/82/33/07/528823307.db2.gz XKSASIWJMYJNKY-BBRMVZONSA-N 1 1 291.395 3.079 20 5 CGBDMO CCOC[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000459705242 535706999 /nfs/dbraw/zinc/70/69/99/535706999.db2.gz HSTBFWRSDZHQKO-OAHLLOKOSA-N 1 1 292.379 3.294 20 5 CGBDMO C[C@H]1c2ccccc2C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750072673 573079429 /nfs/dbraw/zinc/07/94/29/573079429.db2.gz PWBAGJLSGFHAFB-YVEFUNNKSA-N 1 1 298.342 3.205 20 5 CGBDMO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cncs1 ZINC000934203552 618533004 /nfs/dbraw/zinc/53/30/04/618533004.db2.gz YNGBLVGIXRJPMB-MRVPVSSYSA-N 1 1 281.312 3.041 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000895783631 619884935 /nfs/dbraw/zinc/88/49/35/619884935.db2.gz SFSQKDQSIWMXGF-RKDXNWHRSA-N 1 1 294.660 3.289 20 5 CGBDMO Cc1nn(C[N@@H+]2CCC[C@H](C(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000153293854 623842836 /nfs/dbraw/zinc/84/28/36/623842836.db2.gz MQIAPCAKGLIHAJ-AWEZNQCLSA-N 1 1 294.399 3.124 20 5 CGBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2nccc3c2CCCC3)c1 ZINC000921620976 625713186 /nfs/dbraw/zinc/71/31/86/625713186.db2.gz XKNFJYWYIYFBAZ-UHFFFAOYSA-N 1 1 297.358 3.158 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCc3cccnc32)cs1 ZINC000922882191 626062554 /nfs/dbraw/zinc/06/25/54/626062554.db2.gz VEPKIVKVUCTLAA-LBPRGKRZSA-N 1 1 289.360 3.219 20 5 CGBDMO CC[C@]1(C)CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000758397995 626842066 /nfs/dbraw/zinc/84/20/66/626842066.db2.gz RZMBPNPQXVHEKQ-OAHLLOKOSA-N 1 1 288.351 3.024 20 5 CGBDMO CC1(C)CCC[N@@H+](CCNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000767443502 627409207 /nfs/dbraw/zinc/40/92/07/627409207.db2.gz WUGWPIIUWAPEFZ-UHFFFAOYSA-N 1 1 295.358 3.268 20 5 CGBDMO CO[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000783018840 628672855 /nfs/dbraw/zinc/67/28/55/628672855.db2.gz SFAFDFNZXOLVQP-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792867208 629389156 /nfs/dbraw/zinc/38/91/56/629389156.db2.gz MKVLDXRHAHRRPW-WDEREUQCSA-N 1 1 293.323 3.123 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(F)(F)CC1 ZINC000793360183 629447787 /nfs/dbraw/zinc/44/77/87/629447787.db2.gz RNPOMJOEVYWXPS-HWKANZROSA-N 1 1 282.290 3.339 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@@H](c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000799192481 630155121 /nfs/dbraw/zinc/15/51/21/630155121.db2.gz FOGZWEVELBJBTG-OAHLLOKOSA-N 1 1 297.358 3.288 20 5 CGBDMO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000799735935 630228107 /nfs/dbraw/zinc/22/81/07/630228107.db2.gz DSQDUGRENBSSCL-CMPLNLGQSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000799735935 630228109 /nfs/dbraw/zinc/22/81/09/630228109.db2.gz DSQDUGRENBSSCL-CMPLNLGQSA-N 1 1 298.770 3.248 20 5 CGBDMO CC1=C[C@@H](C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801555210 630343012 /nfs/dbraw/zinc/34/30/12/630343012.db2.gz HPUOMSCZXLLLGP-SNVBAGLBSA-N 1 1 264.300 3.132 20 5 CGBDMO CC[N@H+]1CCC[C@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804393520 630525702 /nfs/dbraw/zinc/52/57/02/630525702.db2.gz KCQQFGPZLTYLLP-LLVKDONJSA-N 1 1 297.786 3.392 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccn1 ZINC000105813119 636016672 /nfs/dbraw/zinc/01/66/72/636016672.db2.gz MVFLAOFSQWNFKL-SNVBAGLBSA-N 1 1 291.738 3.494 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC1=CCSC1 ZINC000877641521 635128908 /nfs/dbraw/zinc/12/89/08/635128908.db2.gz WZEVGHGUBMGGKF-UHFFFAOYSA-N 1 1 292.404 3.317 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC12CCCC2 ZINC000844358597 635879830 /nfs/dbraw/zinc/87/98/30/635879830.db2.gz JVGNOVODGCVCQB-UHFFFAOYSA-N 1 1 264.300 3.252 20 5 CGBDMO CC(C)CC[C@@H]1CCCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000128615868 636050430 /nfs/dbraw/zinc/05/04/30/636050430.db2.gz VUZBKQVFPDNJGY-ZDUSSCGKSA-N 1 1 280.372 3.040 20 5 CGBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1C ZINC000129727276 636358140 /nfs/dbraw/zinc/35/81/40/636358140.db2.gz LVZUVPVLASAYGZ-QWRGUYRKSA-N 1 1 266.316 3.212 20 5 CGBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1CCOCC1 ZINC000107064474 636426008 /nfs/dbraw/zinc/42/60/08/636426008.db2.gz KNVNUZCZMBODBR-UHFFFAOYSA-N 1 1 298.770 3.107 20 5 CGBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000133246558 636887668 /nfs/dbraw/zinc/88/76/68/636887668.db2.gz QPUQRWTZZKZEKM-ZJUUUORDSA-N 1 1 268.744 3.479 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000885935080 637319496 /nfs/dbraw/zinc/31/94/96/637319496.db2.gz BALAJBDSWUPCRH-MRXNPFEDSA-N 1 1 297.358 3.197 20 5 CGBDMO C[C@@H](C[N@@H+](C)Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000885982162 637341661 /nfs/dbraw/zinc/34/16/61/637341661.db2.gz WOMOICGKLDQVDM-ZDUSSCGKSA-N 1 1 285.347 3.225 20 5 CGBDMO CC1(C)C[C@]1([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886289128 637487008 /nfs/dbraw/zinc/48/70/08/637487008.db2.gz OAPJAKKOTAHZTN-KRWDZBQOSA-N 1 1 297.358 3.405 20 5 CGBDMO CC(C)([NH2+]Cc1cccc(F)n1)c1ccccc1[N+](=O)[O-] ZINC000852078644 637586865 /nfs/dbraw/zinc/58/68/65/637586865.db2.gz SOTVKUIENCQQSA-UHFFFAOYSA-N 1 1 289.310 3.154 20 5 CGBDMO C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000852588249 637684080 /nfs/dbraw/zinc/68/40/80/637684080.db2.gz AHQLQRVCEUROLG-MNOVXSKESA-N 1 1 298.770 3.248 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000852588249 637684083 /nfs/dbraw/zinc/68/40/83/637684083.db2.gz AHQLQRVCEUROLG-MNOVXSKESA-N 1 1 298.770 3.248 20 5 CGBDMO Cc1nn(C[N@H+]2CCCC[C@@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000853607497 637872839 /nfs/dbraw/zinc/87/28/39/637872839.db2.gz OIJQIGLDOCQTAD-CQSZACIVSA-N 1 1 292.383 3.102 20 5 CGBDMO Cc1cc(C)nc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000930207592 638982891 /nfs/dbraw/zinc/98/28/91/638982891.db2.gz BDRJZZHKXSNTIL-ZDUSSCGKSA-N 1 1 285.347 3.457 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@H](C)CC1 ZINC000932346193 639316472 /nfs/dbraw/zinc/31/64/72/639316472.db2.gz HEWCUZGDGRVOKK-STQMWFEESA-N 1 1 278.352 3.075 20 5 CGBDMO CSCC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000932589647 639362737 /nfs/dbraw/zinc/36/27/37/639362737.db2.gz IRQDPXWUOYPPOR-UHFFFAOYSA-N 1 1 298.383 3.309 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000932886850 639393206 /nfs/dbraw/zinc/39/32/06/639393206.db2.gz HNTFTEWNDBSECN-HUUCEWRRSA-N 1 1 287.363 3.000 20 5 CGBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000934116199 639544733 /nfs/dbraw/zinc/54/47/33/639544733.db2.gz KSTLMXWMOZIYOO-BYCMXARLSA-N 1 1 278.352 3.073 20 5 CGBDMO CC[C@@]1(C)CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246238637 640667080 /nfs/dbraw/zinc/66/70/80/640667080.db2.gz HNQGGGPHLJPJNF-CVEARBPZSA-N 1 1 292.379 3.140 20 5 CGBDMO C[NH+](C)Cc1ccc2nc(-c3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC001250745368 805769213 /nfs/dbraw/zinc/76/92/13/805769213.db2.gz ORVZWAFPUJAIKA-UHFFFAOYSA-N 1 1 296.330 3.200 20 5 CGBDMO CCC1(Nc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)CCC1 ZINC001161561250 806389613 /nfs/dbraw/zinc/38/96/13/806389613.db2.gz GYLNFZLOFKJWRP-RMKNXTFCSA-N 1 1 290.367 3.267 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001254553717 806450068 /nfs/dbraw/zinc/45/00/68/806450068.db2.gz XQTYDTSGQCLDBP-YRGRVCCFSA-N 1 1 280.343 3.206 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001254553717 806450071 /nfs/dbraw/zinc/45/00/71/806450071.db2.gz XQTYDTSGQCLDBP-YRGRVCCFSA-N 1 1 280.343 3.206 20 5 CGBDMO CO[C@@H]1CC[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC001254570936 806453358 /nfs/dbraw/zinc/45/33/58/806453358.db2.gz QRNOSCAHNCDUAW-UMVBOHGHSA-N 1 1 292.379 3.025 20 5 CGBDMO C[C@H](C1CC1)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000036785317 798851163 /nfs/dbraw/zinc/85/11/63/798851163.db2.gz LUDZIMRBXOTAMR-SECBINFHSA-N 1 1 268.744 3.479 20 5 CGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000037082225 798857399 /nfs/dbraw/zinc/85/73/99/798857399.db2.gz PRHLRUWICUILAH-UHFFFAOYSA-N 1 1 256.733 3.479 20 5 CGBDMO CCC[N@H+]1CCC[C@H]1CNc1cc(C)ccc1[N+](=O)[O-] ZINC001163248420 806732929 /nfs/dbraw/zinc/73/29/29/806732929.db2.gz LEZGGHWFSXHPOI-ZDUSSCGKSA-N 1 1 277.368 3.190 20 5 CGBDMO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000687218922 799737105 /nfs/dbraw/zinc/73/71/05/799737105.db2.gz HEQSPXASHHGTRC-ZYHUDNBSSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000687218922 799737107 /nfs/dbraw/zinc/73/71/07/799737107.db2.gz HEQSPXASHHGTRC-ZYHUDNBSSA-N 1 1 298.770 3.248 20 5 CGBDMO C[N@H+](CCCF)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC001119337350 802650114 /nfs/dbraw/zinc/65/01/14/802650114.db2.gz GGJUTSZFSATTCV-UHFFFAOYSA-N 1 1 299.327 3.121 20 5 CGBDMO C[N@@H+](CCCF)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC001119337350 802650117 /nfs/dbraw/zinc/65/01/17/802650117.db2.gz GGJUTSZFSATTCV-UHFFFAOYSA-N 1 1 299.327 3.121 20 5 CGBDMO COc1ccc(Nc2c[nH+]c3cccc(C)n23)c([N+](=O)[O-])c1 ZINC001248470581 804935694 /nfs/dbraw/zinc/93/56/94/804935694.db2.gz PFLXEOPJOBPVKS-UHFFFAOYSA-N 1 1 298.302 3.303 20 5 CGBDMO CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)CC[N+](=O)[O-] ZINC001167306554 807180137 /nfs/dbraw/zinc/18/01/37/807180137.db2.gz GYMQPVZJIPYRMD-INIZCTEOSA-N 1 1 278.396 3.387 20 5 CGBDMO Cc1ccc(C[N@H+]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC001168741705 807501680 /nfs/dbraw/zinc/50/16/80/807501680.db2.gz OVXUBZIPWUBTQU-UHFFFAOYSA-N 1 1 260.337 3.278 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](c3ccccc3)C2)C1 ZINC001169029575 807555482 /nfs/dbraw/zinc/55/54/82/807555482.db2.gz UJMBSZGOSGSCQA-PVAVHDDUSA-N 1 1 288.391 3.311 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCC3(C2)CCCCC3)C1 ZINC001169050635 807560574 /nfs/dbraw/zinc/56/05/74/807560574.db2.gz CBXIBNDHAJOVBP-UONOGXRCSA-N 1 1 266.385 3.088 20 5 CGBDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001261638137 807770982 /nfs/dbraw/zinc/77/09/82/807770982.db2.gz RJQIUAXPGAMMCK-QWHCGFSZSA-N 1 1 298.383 3.450 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@H]3C[C@H]31)CC2 ZINC001172919312 808480109 /nfs/dbraw/zinc/48/01/09/808480109.db2.gz FRLSCYIBMNRCOT-ZMSDIMECSA-N 1 1 286.375 3.327 20 5 CGBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@@H]2C)c1F ZINC001173187135 808534011 /nfs/dbraw/zinc/53/40/11/808534011.db2.gz XTRGFSDMCIKJHG-QWRGUYRKSA-N 1 1 296.342 3.158 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC1(F)F ZINC001173219835 808539694 /nfs/dbraw/zinc/53/96/94/808539694.db2.gz POYMDMOUFPFHCF-GXFFZTMASA-N 1 1 284.306 3.303 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCc1ccncc1 ZINC001173227274 808541077 /nfs/dbraw/zinc/54/10/77/808541077.db2.gz PDVXBIRVNPDBLI-AWEZNQCLSA-N 1 1 299.374 3.095 20 5 CGBDMO CCCCOC1C[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173227073 808541338 /nfs/dbraw/zinc/54/13/38/808541338.db2.gz NNGQASFJJOMXJT-CYBMUJFWSA-N 1 1 292.379 3.027 20 5 CGBDMO CCCO[C@H]1CC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173225730 808541895 /nfs/dbraw/zinc/54/18/95/808541895.db2.gz FRGUDFBKVIFGPH-BBRMVZONSA-N 1 1 292.379 3.027 20 5 CGBDMO N[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@H]1F ZINC001204830372 812748376 /nfs/dbraw/zinc/74/83/76/812748376.db2.gz RZGVEDNGQOAFBF-MOPGFXCFSA-N 1 1 294.373 3.474 20 5 CGBDMO N[C@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)C[C@H]1F ZINC001204830372 812748378 /nfs/dbraw/zinc/74/83/78/812748378.db2.gz RZGVEDNGQOAFBF-MOPGFXCFSA-N 1 1 294.373 3.474 20 5 CGBDMO Nc1ccc(Nc2ccc3c[nH+]ccc3c2)cc1[N+](=O)[O-] ZINC001209936115 814204501 /nfs/dbraw/zinc/20/45/01/814204501.db2.gz LBFBDISIEJHBSG-UHFFFAOYSA-N 1 1 280.287 3.469 20 5 CGBDMO Cn1c[nH+]c2cccc(Nc3cccc([N+](=O)[O-])c3F)c21 ZINC001210386415 814437178 /nfs/dbraw/zinc/43/71/78/814437178.db2.gz QDVRUQMLRIWMAH-UHFFFAOYSA-N 1 1 286.266 3.364 20 5 CGBDMO C[NH+](C)Cc1cccc(Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC001210394592 814442354 /nfs/dbraw/zinc/44/23/54/814442354.db2.gz CBMLACTUBMVJEY-UHFFFAOYSA-N 1 1 287.319 3.106 20 5 CGBDMO CC(C)[N@H+]1CC[C@@H](O[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001223428069 816628577 /nfs/dbraw/zinc/62/85/77/816628577.db2.gz BTRAWLXUFXXMHE-SWLSCSKDSA-N 1 1 278.352 3.155 20 5 CGBDMO Cc1c(O[C@@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001225689063 817141871 /nfs/dbraw/zinc/14/18/71/817141871.db2.gz AMJDEXJGHHNGKQ-CYBMUJFWSA-N 1 1 278.352 3.155 20 5 CGBDMO CC(C)[N@H+]1CC[C@H](Oc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001225787900 817178559 /nfs/dbraw/zinc/17/85/59/817178559.db2.gz IUAQRSHHIGXKJX-JTQLQIEISA-N 1 1 284.743 3.110 20 5 CGBDMO CC[N@H+]1CCC[C@H](Oc2cc(C)c([N+](=O)[O-])c(C)c2)C1 ZINC001229469315 932155926 /nfs/dbraw/zinc/15/59/26/932155926.db2.gz GWXVYKAETNMCMM-ZDUSSCGKSA-N 1 1 278.352 3.075 20 5 CGBDMO CC[N@@H+](CCNc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC001472681811 937780331 /nfs/dbraw/zinc/78/03/31/937780331.db2.gz QOYKILADWNCKQA-UHFFFAOYSA-N 1 1 285.775 3.390 20 5 CGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCC1CCCCC1 ZINC001559513932 938228355 /nfs/dbraw/zinc/22/83/55/938228355.db2.gz LRROWNCVZXRNLQ-UHFFFAOYSA-N 1 1 294.399 3.002 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](C2CCCC2)C1 ZINC001560226315 938247912 /nfs/dbraw/zinc/24/79/12/938247912.db2.gz PAVTVOYVELIBKR-AWEZNQCLSA-N 1 1 289.379 3.392 20 5 CGBDMO Cc1c(C[N@H+](C)[C@H](C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000127775960 187332547 /nfs/dbraw/zinc/33/25/47/187332547.db2.gz XDCQVJZZSJZSCF-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO COc1ccccc1C1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000592142743 346966781 /nfs/dbraw/zinc/96/67/81/346966781.db2.gz CFCYRWFTDJOURK-UHFFFAOYSA-N 1 1 298.342 3.382 20 5 CGBDMO CC[N@@H+](CCSC)Cc1cccc([N+](=O)[O-])c1C ZINC000592201726 346972224 /nfs/dbraw/zinc/97/22/24/346972224.db2.gz FURILTKMNZHITP-UHFFFAOYSA-N 1 1 268.382 3.088 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118752 347042179 /nfs/dbraw/zinc/04/21/79/347042179.db2.gz YHURJBYHBRFGJJ-MFKMUULPSA-N 1 1 282.290 3.387 20 5 CGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000037404431 344950164 /nfs/dbraw/zinc/95/01/64/344950164.db2.gz DMFMNMFPCYMYQJ-SNVBAGLBSA-N 1 1 295.770 3.144 20 5 CGBDMO COc1ccccc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000042976652 344991730 /nfs/dbraw/zinc/99/17/30/344991730.db2.gz ZYLUOIGWCJFHFO-UHFFFAOYSA-N 1 1 286.331 3.235 20 5 CGBDMO COc1ccccc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000042976652 344991731 /nfs/dbraw/zinc/99/17/31/344991731.db2.gz ZYLUOIGWCJFHFO-UHFFFAOYSA-N 1 1 286.331 3.235 20 5 CGBDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)on1 ZINC000052009672 345095749 /nfs/dbraw/zinc/09/57/49/345095749.db2.gz LYYBQFCSTNCLBD-AWEZNQCLSA-N 1 1 287.319 3.228 20 5 CGBDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)on1 ZINC000052009672 345095751 /nfs/dbraw/zinc/09/57/51/345095751.db2.gz LYYBQFCSTNCLBD-AWEZNQCLSA-N 1 1 287.319 3.228 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000058888789 345203039 /nfs/dbraw/zinc/20/30/39/345203039.db2.gz DWUVGPVCBDFEMV-NSHDSACASA-N 1 1 288.269 3.369 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000058888789 345203040 /nfs/dbraw/zinc/20/30/40/345203040.db2.gz DWUVGPVCBDFEMV-NSHDSACASA-N 1 1 288.269 3.369 20 5 CGBDMO COc1ccc2c(c1)C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000065163236 345269032 /nfs/dbraw/zinc/26/90/32/345269032.db2.gz VDBIDCSGCGPQET-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO COc1ccc2c(c1)C[N@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000065163236 345269034 /nfs/dbraw/zinc/26/90/34/345269034.db2.gz VDBIDCSGCGPQET-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccsc1 ZINC000065208951 345269694 /nfs/dbraw/zinc/26/96/94/345269694.db2.gz BMXXOMWFELICHO-UHFFFAOYSA-N 1 1 292.360 3.167 20 5 CGBDMO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000067661083 345327612 /nfs/dbraw/zinc/32/76/12/345327612.db2.gz OJQDZHYYHTTXMX-GFCCVEGCSA-N 1 1 250.342 3.461 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2ccccc2)CC1 ZINC000077378348 345571360 /nfs/dbraw/zinc/57/13/60/345571360.db2.gz HZBAIHMHJKFQGA-UHFFFAOYSA-N 1 1 298.342 3.382 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC3(CCC3)CC2)cs1 ZINC000586783071 346734629 /nfs/dbraw/zinc/73/46/29/346734629.db2.gz RXCBRANLWRCMDW-UHFFFAOYSA-N 1 1 266.366 3.422 20 5 CGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](C2CC2)C1 ZINC000588977583 346779527 /nfs/dbraw/zinc/77/95/27/346779527.db2.gz CLXJIJICYIZXCX-AWEZNQCLSA-N 1 1 290.363 3.096 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000588978116 346779932 /nfs/dbraw/zinc/77/99/32/346779932.db2.gz SBKRGQAXIXKRNB-HNNXBMFYSA-N 1 1 274.364 3.259 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)cs1 ZINC000594026318 347139620 /nfs/dbraw/zinc/13/96/20/347139620.db2.gz IYSXJLCBCHEXST-ZDUSSCGKSA-N 1 1 296.392 3.190 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](OC3CCC3)C2)cs1 ZINC000594026318 347139622 /nfs/dbraw/zinc/13/96/22/347139622.db2.gz IYSXJLCBCHEXST-ZDUSSCGKSA-N 1 1 296.392 3.190 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000594597018 347198373 /nfs/dbraw/zinc/19/83/73/347198373.db2.gz CBMXXBIYZWXLHX-CABCVRRESA-N 1 1 275.352 3.024 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)s1 ZINC000594604079 347201102 /nfs/dbraw/zinc/20/11/02/347201102.db2.gz YAOWESYNNZXEAH-MNOVXSKESA-N 1 1 281.381 3.085 20 5 CGBDMO C[C@@H](C1CC1)[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595289056 347286417 /nfs/dbraw/zinc/28/64/17/347286417.db2.gz CXYKQPIRVPDFNN-JTQLQIEISA-N 1 1 278.327 3.497 20 5 CGBDMO C[C@H]1SCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1C ZINC000595323473 347291940 /nfs/dbraw/zinc/29/19/40/347291940.db2.gz YTRJXGHHRIQEOB-NXEZZACHSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@H]1SCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1C ZINC000595323473 347291944 /nfs/dbraw/zinc/29/19/44/347291944.db2.gz YTRJXGHHRIQEOB-NXEZZACHSA-N 1 1 284.356 3.060 20 5 CGBDMO CC[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCS1 ZINC000595334214 347293767 /nfs/dbraw/zinc/29/37/67/347293767.db2.gz NQMROJNQEOXRLX-GFCCVEGCSA-N 1 1 284.356 3.061 20 5 CGBDMO CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCS1 ZINC000595334214 347293769 /nfs/dbraw/zinc/29/37/69/347293769.db2.gz NQMROJNQEOXRLX-GFCCVEGCSA-N 1 1 284.356 3.061 20 5 CGBDMO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000595815675 347359270 /nfs/dbraw/zinc/35/92/70/347359270.db2.gz QEYQRWHLYOLIRZ-CYBMUJFWSA-N 1 1 290.363 3.128 20 5 CGBDMO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000595815675 347359273 /nfs/dbraw/zinc/35/92/73/347359273.db2.gz QEYQRWHLYOLIRZ-CYBMUJFWSA-N 1 1 290.363 3.128 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCS1 ZINC000595454947 347305883 /nfs/dbraw/zinc/30/58/83/347305883.db2.gz PBCPXAGYDLMHBM-JTQLQIEISA-N 1 1 284.356 3.061 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000595564422 347319643 /nfs/dbraw/zinc/31/96/43/347319643.db2.gz YXKXLHBZGHVCNK-FZMZJTMJSA-N 1 1 278.327 3.498 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC1=CCSC1 ZINC000595887180 347370063 /nfs/dbraw/zinc/37/00/63/347370063.db2.gz BJANPONOWSKRAU-NSHDSACASA-N 1 1 278.377 3.261 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000596337399 347422991 /nfs/dbraw/zinc/42/29/91/347422991.db2.gz WMTATJBAGCTMMJ-NSHDSACASA-N 1 1 281.331 3.019 20 5 CGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1=CCSC1 ZINC000597244019 347562287 /nfs/dbraw/zinc/56/22/87/347562287.db2.gz KIOHZTCXABMDAO-GQCTYLIASA-N 1 1 290.388 3.213 20 5 CGBDMO C[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000598975220 347703037 /nfs/dbraw/zinc/70/30/37/347703037.db2.gz UEKDYXXCMBWZKU-OLZOCXBDSA-N 1 1 291.395 3.118 20 5 CGBDMO COc1ccc(C[N@H+]2CCCC3(CC3)CC2)cc1[N+](=O)[O-] ZINC000599673261 347762919 /nfs/dbraw/zinc/76/29/19/347762919.db2.gz NCLKHBIYZASXNE-UHFFFAOYSA-N 1 1 290.363 3.370 20 5 CGBDMO Cc1ncc([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC000601150121 347875512 /nfs/dbraw/zinc/87/55/12/347875512.db2.gz WNNNTRNVSQCEPI-SSDOTTSWSA-N 1 1 283.378 3.272 20 5 CGBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC(C)(C)C1 ZINC000602687370 348008928 /nfs/dbraw/zinc/00/89/28/348008928.db2.gz KYAQBKFJRQDNAG-UHFFFAOYSA-N 1 1 289.335 3.356 20 5 CGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000602767869 348025126 /nfs/dbraw/zinc/02/51/26/348025126.db2.gz ZACJYOHBPGCHTO-CYBMUJFWSA-N 1 1 294.399 3.000 20 5 CGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CC(C)C)C1CCCC1 ZINC000602764071 348025267 /nfs/dbraw/zinc/02/52/67/348025267.db2.gz ANJBBVDQQHYDCK-UHFFFAOYSA-N 1 1 294.399 3.000 20 5 CGBDMO CCO[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000610341396 348375733 /nfs/dbraw/zinc/37/57/33/348375733.db2.gz IIUQVWSDMBELRL-STQMWFEESA-N 1 1 278.352 3.157 20 5 CGBDMO COc1ccc(C[N@H+]2CC[C@@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000610410631 348381445 /nfs/dbraw/zinc/38/14/45/348381445.db2.gz RBFQVFDSDJZVNG-AWEZNQCLSA-N 1 1 292.379 3.471 20 5 CGBDMO CCO[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000610002293 348359815 /nfs/dbraw/zinc/35/98/15/348359815.db2.gz WLYPQAQOALTUQZ-IUODEOHRSA-N 1 1 278.352 3.157 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581217 348391067 /nfs/dbraw/zinc/39/10/67/348391067.db2.gz RVYATXXSBCSNAF-JTQLQIEISA-N 1 1 277.324 3.356 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000610762791 348402741 /nfs/dbraw/zinc/40/27/41/348402741.db2.gz WATVYKLMRVPJNV-DOMZBBRYSA-N 1 1 290.363 3.366 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000610762791 348402742 /nfs/dbraw/zinc/40/27/42/348402742.db2.gz WATVYKLMRVPJNV-DOMZBBRYSA-N 1 1 290.363 3.366 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2CCCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000611272396 348434306 /nfs/dbraw/zinc/43/43/06/348434306.db2.gz GVBHIDQSKZXZKM-CYBMUJFWSA-N 1 1 292.379 3.329 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611179626 348426771 /nfs/dbraw/zinc/42/67/71/348426771.db2.gz GKKBFCQZVXDKGX-SECBINFHSA-N 1 1 290.697 3.335 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611179626 348426774 /nfs/dbraw/zinc/42/67/74/348426774.db2.gz GKKBFCQZVXDKGX-SECBINFHSA-N 1 1 290.697 3.335 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCOC[C@@H]1C ZINC000615835242 348768063 /nfs/dbraw/zinc/76/80/63/348768063.db2.gz CWSZXQPLFNWREZ-XXYUJHKVSA-N 1 1 290.363 3.109 20 5 CGBDMO CCn1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000616131686 348788885 /nfs/dbraw/zinc/78/88/85/348788885.db2.gz YEUZZFSGDMGVKO-UHFFFAOYSA-N 1 1 273.336 3.048 20 5 CGBDMO CCn1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000616131686 348788888 /nfs/dbraw/zinc/78/88/88/348788888.db2.gz YEUZZFSGDMGVKO-UHFFFAOYSA-N 1 1 273.336 3.048 20 5 CGBDMO CCn1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000616737773 348876510 /nfs/dbraw/zinc/87/65/10/348876510.db2.gz WVORLPJPLUVPJV-UHFFFAOYSA-N 1 1 287.363 3.357 20 5 CGBDMO CC1(C)CCC[N@@H+](CCNc2ccsc2[N+](=O)[O-])C1 ZINC000618175365 349056822 /nfs/dbraw/zinc/05/68/22/349056822.db2.gz TYLOTZLNDVUTTE-UHFFFAOYSA-N 1 1 283.397 3.190 20 5 CGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+]([C@H]1CCc3ccccc31)CC2 ZINC000618753810 349152824 /nfs/dbraw/zinc/15/28/24/349152824.db2.gz WQRASCVEIPCMBM-KRWDZBQOSA-N 1 1 295.342 3.035 20 5 CGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+]([C@H]1CCc3ccccc31)CC2 ZINC000618753810 349152828 /nfs/dbraw/zinc/15/28/28/349152828.db2.gz WQRASCVEIPCMBM-KRWDZBQOSA-N 1 1 295.342 3.035 20 5 CGBDMO CSC[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000292278952 198228237 /nfs/dbraw/zinc/22/82/37/198228237.db2.gz BPQRMGLWXZSOCJ-LBPRGKRZSA-N 1 1 280.393 3.170 20 5 CGBDMO C[C@H](C1CC1)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000158032290 188353845 /nfs/dbraw/zinc/35/38/45/188353845.db2.gz QIKXXOINKKCFSH-HOSRBBHYSA-N 1 1 260.337 3.338 20 5 CGBDMO Cc1c([C@H](C)[NH2+][C@H](CN)C2CCCC2)cccc1[N+](=O)[O-] ZINC000423499752 236086900 /nfs/dbraw/zinc/08/69/00/236086900.db2.gz JORXGUZBENBQCW-SWLSCSKDSA-N 1 1 291.395 3.071 20 5 CGBDMO Cc1c(C[NH2+][C@@H](C)c2ccc(F)cn2)cccc1[N+](=O)[O-] ZINC000231883552 138509875 /nfs/dbraw/zinc/50/98/75/138509875.db2.gz KHPOFXJJCFRUAR-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426455468 236295703 /nfs/dbraw/zinc/29/57/03/236295703.db2.gz SQZNDHCEJOPCIM-SWLSCSKDSA-N 1 1 290.363 3.368 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)C(C)C ZINC000341810290 216115223 /nfs/dbraw/zinc/11/52/23/216115223.db2.gz QUQICFSASUMVHF-LLVKDONJSA-N 1 1 266.341 3.080 20 5 CGBDMO CO[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000441342764 238393517 /nfs/dbraw/zinc/39/35/17/238393517.db2.gz UGECXUOIXCIXHM-MNOVXSKESA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000441342764 238393519 /nfs/dbraw/zinc/39/35/19/238393519.db2.gz UGECXUOIXCIXHM-MNOVXSKESA-N 1 1 298.770 3.248 20 5 CGBDMO CC[C@H](NCC[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000181565102 189300905 /nfs/dbraw/zinc/30/09/05/189300905.db2.gz HCCXSHKOSHCTNO-ZBFHGGJFSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[C@H](NCC[C@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000181565102 189300906 /nfs/dbraw/zinc/30/09/06/189300906.db2.gz HCCXSHKOSHCTNO-ZBFHGGJFSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@@]1(F)CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000449349895 239336487 /nfs/dbraw/zinc/33/64/87/239336487.db2.gz KUCXFRFYTAZIND-NFBGWVBBSA-N 1 1 278.327 3.432 20 5 CGBDMO C[C@@]1(F)CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000449349895 239336491 /nfs/dbraw/zinc/33/64/91/239336491.db2.gz KUCXFRFYTAZIND-NFBGWVBBSA-N 1 1 278.327 3.432 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451902174 240379254 /nfs/dbraw/zinc/37/92/54/240379254.db2.gz NWPMWGVOBWNEKF-CZUORRHYSA-N 1 1 290.363 3.158 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459784869 242232336 /nfs/dbraw/zinc/23/23/36/242232336.db2.gz JNWDHZNBPWPPMM-NEPJUHHUSA-N 1 1 288.351 3.049 20 5 CGBDMO CO[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000275882583 193155866 /nfs/dbraw/zinc/15/58/66/193155866.db2.gz QOSHPMCOWWTVIH-YWPYICTPSA-N 1 1 278.352 3.013 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccccc2F)cs1 ZINC000037562505 369088829 /nfs/dbraw/zinc/08/88/29/369088829.db2.gz QLQDNEHLAMZGFM-UHFFFAOYSA-N 1 1 266.297 3.085 20 5 CGBDMO CCOc1cc(C[N@H+]2CC[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000492821636 244030449 /nfs/dbraw/zinc/03/04/49/244030449.db2.gz ZJQIYUOVDMRSQN-KGLIPLIRSA-N 1 1 290.363 3.368 20 5 CGBDMO CCOc1cc(C[N@H+]2CC[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000492821638 244031000 /nfs/dbraw/zinc/03/10/00/244031000.db2.gz ZJQIYUOVDMRSQN-ZIAGYGMSSA-N 1 1 290.363 3.368 20 5 CGBDMO Cc1ncc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000040997585 369167410 /nfs/dbraw/zinc/16/74/10/369167410.db2.gz BSXKLEABBSRZIZ-VIFPVBQESA-N 1 1 277.349 3.211 20 5 CGBDMO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276285438 193271280 /nfs/dbraw/zinc/27/12/80/193271280.db2.gz GSYVMVOSKZWGDE-NSHDSACASA-N 1 1 289.310 3.322 20 5 CGBDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276285438 193271281 /nfs/dbraw/zinc/27/12/81/193271281.db2.gz GSYVMVOSKZWGDE-NSHDSACASA-N 1 1 289.310 3.322 20 5 CGBDMO CSC[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276293612 193275227 /nfs/dbraw/zinc/27/52/27/193275227.db2.gz ILQZJFMQHDXXBG-LLVKDONJSA-N 1 1 284.356 3.061 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc1F ZINC000276342612 193293269 /nfs/dbraw/zinc/29/32/69/193293269.db2.gz UKXSMQUCNYXTJO-OAHLLOKOSA-N 1 1 289.310 3.399 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1F ZINC000276342612 193293271 /nfs/dbraw/zinc/29/32/71/193293271.db2.gz UKXSMQUCNYXTJO-OAHLLOKOSA-N 1 1 289.310 3.399 20 5 CGBDMO CCCc1[nH+]ccn1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000070424433 369800211 /nfs/dbraw/zinc/80/02/11/369800211.db2.gz ULBLWVSXLUNSLP-UHFFFAOYSA-N 1 1 279.727 3.446 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cnccn2)cc1[N+](=O)[O-] ZINC000090217536 370059721 /nfs/dbraw/zinc/05/97/21/370059721.db2.gz UFOGRBZFRWXPIT-NEPJUHHUSA-N 1 1 286.335 3.105 20 5 CGBDMO COCCCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130861041 371065585 /nfs/dbraw/zinc/06/55/85/371065585.db2.gz HESFXCFFIKZDER-UHFFFAOYSA-N 1 1 292.379 3.376 20 5 CGBDMO Cc1ccc(C[N@@H+](CCO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000155139176 371907051 /nfs/dbraw/zinc/90/70/51/371907051.db2.gz DGXYOUURVDFWBW-UHFFFAOYSA-N 1 1 292.379 3.030 20 5 CGBDMO Cc1cnc(CC[N@@H+](C)Cc2csc([N+](=O)[O-])c2)s1 ZINC000157357532 372017129 /nfs/dbraw/zinc/01/71/29/372017129.db2.gz LHMNIARWYIBMOD-UHFFFAOYSA-N 1 1 297.405 3.096 20 5 CGBDMO Cc1cnc(CC[N@H+](C)Cc2csc([N+](=O)[O-])c2)s1 ZINC000157357532 372017133 /nfs/dbraw/zinc/01/71/33/372017133.db2.gz LHMNIARWYIBMOD-UHFFFAOYSA-N 1 1 297.405 3.096 20 5 CGBDMO CC[C@]1(C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000344224720 217106850 /nfs/dbraw/zinc/10/68/50/217106850.db2.gz WLJHDNYQBQWGKM-OAHLLOKOSA-N 1 1 289.335 3.358 20 5 CGBDMO CC[C@@H]1CC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000429280992 372336849 /nfs/dbraw/zinc/33/68/49/372336849.db2.gz AJWJHPUQLCQJPL-SECBINFHSA-N 1 1 254.717 3.233 20 5 CGBDMO CC[C@@H]1CC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000429280992 372336855 /nfs/dbraw/zinc/33/68/55/372336855.db2.gz AJWJHPUQLCQJPL-SECBINFHSA-N 1 1 254.717 3.233 20 5 CGBDMO CSC[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000429298753 372346484 /nfs/dbraw/zinc/34/64/84/372346484.db2.gz FTBQQIWMVJSWCH-NSHDSACASA-N 1 1 298.383 3.309 20 5 CGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCCC2)c1 ZINC000293320867 372353865 /nfs/dbraw/zinc/35/38/65/372353865.db2.gz CIOUWDOTDZLLOJ-UHFFFAOYSA-N 1 1 274.242 3.209 20 5 CGBDMO CCCC[N@@H+](C)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163509277 372476123 /nfs/dbraw/zinc/47/61/23/372476123.db2.gz SOYQEIWLQJJSNI-AWEZNQCLSA-N 1 1 293.411 3.286 20 5 CGBDMO CCCCN(C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163509277 372476128 /nfs/dbraw/zinc/47/61/28/372476128.db2.gz SOYQEIWLQJJSNI-AWEZNQCLSA-N 1 1 293.411 3.286 20 5 CGBDMO C[C@@H]1Cc2[nH+]cn(Cc3cccc([N+](=O)[O-])c3)c2C[C@H]1C ZINC000296066208 373009855 /nfs/dbraw/zinc/00/98/55/373009855.db2.gz UZTWQPVNDQISDF-VXGBXAGGSA-N 1 1 285.347 3.210 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000173814392 373196147 /nfs/dbraw/zinc/19/61/47/373196147.db2.gz YFBODCKEOBNTQX-JSGCOSHPSA-N 1 1 260.337 3.359 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCC12CCC2 ZINC000444787757 373275291 /nfs/dbraw/zinc/27/52/91/373275291.db2.gz RZXTUQVHLXJENB-UHFFFAOYSA-N 1 1 264.300 3.252 20 5 CGBDMO O=[N+]([O-])c1cccc(C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000174184501 373263853 /nfs/dbraw/zinc/26/38/53/373263853.db2.gz ZVYPAOQWHIRXGA-UHFFFAOYSA-N 1 1 288.269 3.369 20 5 CGBDMO COCC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174859142 373373397 /nfs/dbraw/zinc/37/33/97/373373397.db2.gz AWMKMSJCJJVDTF-UHFFFAOYSA-N 1 1 298.770 3.107 20 5 CGBDMO CCC[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000301091344 373657178 /nfs/dbraw/zinc/65/71/78/373657178.db2.gz LJCAJBZTYKHZMT-LLVKDONJSA-N 1 1 297.786 3.392 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1NCC[N@@H+]1CCCC[C@H]1C ZINC000301161729 373679586 /nfs/dbraw/zinc/67/95/86/373679586.db2.gz HMCNTXQXJLQELZ-CYBMUJFWSA-N 1 1 277.368 3.190 20 5 CGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000449500600 373798724 /nfs/dbraw/zinc/79/87/24/373798724.db2.gz NXYGDPUZIMGOJS-CQSZACIVSA-N 1 1 260.337 3.184 20 5 CGBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000311878730 374260296 /nfs/dbraw/zinc/26/02/96/374260296.db2.gz MSJDYOANROGDHW-WDEREUQCSA-N 1 1 266.316 3.354 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000183349720 374403785 /nfs/dbraw/zinc/40/37/85/374403785.db2.gz OBJGWVWFARQGIT-OKILXGFUSA-N 1 1 260.337 3.135 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC1CCOCC1 ZINC000330579472 374483638 /nfs/dbraw/zinc/48/36/38/374483638.db2.gz QSUXIWNKTAWGCW-LBPRGKRZSA-N 1 1 278.352 3.014 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331318356 374522505 /nfs/dbraw/zinc/52/25/05/374522505.db2.gz KCFISZKQMMHWHV-IUODEOHRSA-N 1 1 292.379 3.403 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331318356 374522509 /nfs/dbraw/zinc/52/25/09/374522509.db2.gz KCFISZKQMMHWHV-IUODEOHRSA-N 1 1 292.379 3.403 20 5 CGBDMO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000187845991 375105893 /nfs/dbraw/zinc/10/58/93/375105893.db2.gz JYBSDBLXCKVJOU-ZYHUDNBSSA-N 1 1 286.335 3.105 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000493211112 375464819 /nfs/dbraw/zinc/46/48/19/375464819.db2.gz NZGOTOPGMYMSEV-AOOOYVTPSA-N 1 1 268.744 3.336 20 5 CGBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000536023639 376077483 /nfs/dbraw/zinc/07/74/83/376077483.db2.gz UMYFJYZEDZVAJE-OAHLLOKOSA-N 1 1 283.331 3.193 20 5 CGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000538956021 376280355 /nfs/dbraw/zinc/28/03/55/376280355.db2.gz HGRWLWMWSYTXGY-OCCSQVGLSA-N 1 1 262.353 3.400 20 5 CGBDMO CC[C@H]1CC[C@H](C)[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000540055782 376354786 /nfs/dbraw/zinc/35/47/86/376354786.db2.gz JNNCOGJYBCATNY-STQMWFEESA-N 1 1 278.352 3.237 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000228765460 376447150 /nfs/dbraw/zinc/44/71/50/376447150.db2.gz SHZFLTJNGYPFAC-GFCCVEGCSA-N 1 1 265.357 3.045 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC[N@H+]1CC=CCC1 ZINC000338713347 376494619 /nfs/dbraw/zinc/49/46/19/376494619.db2.gz RFFQMSYEMVGDBV-UHFFFAOYSA-N 1 1 295.770 3.230 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC[N@@H+]1CC=CCC1 ZINC000338713347 376494627 /nfs/dbraw/zinc/49/46/27/376494627.db2.gz RFFQMSYEMVGDBV-UHFFFAOYSA-N 1 1 295.770 3.230 20 5 CGBDMO C[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000339003379 376622927 /nfs/dbraw/zinc/62/29/27/376622927.db2.gz PGKOANLQPDDROE-NEPJUHHUSA-N 1 1 295.358 3.409 20 5 CGBDMO COC[C@@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245528596 376843019 /nfs/dbraw/zinc/84/30/19/376843019.db2.gz QTRDQGINDSZHNE-UONOGXRCSA-N 1 1 292.379 3.323 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558737249 377042283 /nfs/dbraw/zinc/04/22/83/377042283.db2.gz ZEAIGKDKOMVOQK-GFCCVEGCSA-N 1 1 250.342 3.258 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCCOC1 ZINC000558414088 377004369 /nfs/dbraw/zinc/00/43/69/377004369.db2.gz WSPFGIONXLVJIF-LRFDDAOPSA-N 1 1 290.363 3.109 20 5 CGBDMO CO[C@H](CC(C)C)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000561235141 377214879 /nfs/dbraw/zinc/21/48/79/377214879.db2.gz ZGXVSAFNLINSFT-CQSZACIVSA-N 1 1 292.379 3.014 20 5 CGBDMO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1CC1 ZINC000255680230 377775793 /nfs/dbraw/zinc/77/57/93/377775793.db2.gz DQYVNFZXDRUSMQ-ALCCZGGFSA-N 1 1 260.337 3.340 20 5 CGBDMO C[C@H](C1CC1)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000263633535 377949208 /nfs/dbraw/zinc/94/92/08/377949208.db2.gz QIKXXOINKKCFSH-SMYYYNMVSA-N 1 1 260.337 3.338 20 5 CGBDMO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266881291 378028346 /nfs/dbraw/zinc/02/83/46/378028346.db2.gz PMFCXNXMWXMTGH-WDEREUQCSA-N 1 1 288.351 3.049 20 5 CGBDMO CC1=CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000270486934 378357962 /nfs/dbraw/zinc/35/79/62/378357962.db2.gz FUYXTSANRHYWKN-UHFFFAOYSA-N 1 1 299.330 3.402 20 5 CGBDMO CC1=CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000270486934 378357966 /nfs/dbraw/zinc/35/79/66/378357966.db2.gz FUYXTSANRHYWKN-UHFFFAOYSA-N 1 1 299.330 3.402 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCSCC1 ZINC000270516136 378361247 /nfs/dbraw/zinc/36/12/47/378361247.db2.gz DENLWLMXRVMQIF-LLVKDONJSA-N 1 1 266.366 3.095 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@](C)(O)CC1 ZINC000279872730 379540492 /nfs/dbraw/zinc/54/04/92/379540492.db2.gz CBXLZXHMAZHBIM-CJNGLKHVSA-N 1 1 292.379 3.201 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000280543665 379728763 /nfs/dbraw/zinc/72/87/63/379728763.db2.gz STXMIWRAULKXGO-UKRRQHHQSA-N 1 1 292.379 3.029 20 5 CGBDMO CC(C)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000352608593 379874665 /nfs/dbraw/zinc/87/46/65/379874665.db2.gz NHKPCHYTICHFML-CQSZACIVSA-N 1 1 298.383 3.307 20 5 CGBDMO CC(C)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000352608593 379874671 /nfs/dbraw/zinc/87/46/71/379874671.db2.gz NHKPCHYTICHFML-CQSZACIVSA-N 1 1 298.383 3.307 20 5 CGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccoc1 ZINC000352650378 379892685 /nfs/dbraw/zinc/89/26/85/379892685.db2.gz WGZWUPCIZYHFNC-XQRVVYSFSA-N 1 1 272.304 3.333 20 5 CGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc[nH]1 ZINC000354035103 380292755 /nfs/dbraw/zinc/29/27/55/380292755.db2.gz VXLDMVWDSCNSIE-FNORWQNLSA-N 1 1 271.320 3.068 20 5 CGBDMO CC[N@H+]1CC[C@H](N(C)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000354355549 380411144 /nfs/dbraw/zinc/41/11/44/380411144.db2.gz VNGIROIMEZMROV-YPMHNXCESA-N 1 1 295.358 3.043 20 5 CGBDMO COc1cc(C[N@H+]2C[C@H](C)CC2(C)C)c([N+](=O)[O-])cc1F ZINC000362326774 381942445 /nfs/dbraw/zinc/94/24/45/381942445.db2.gz VZKHZLSJPYKRPY-SNVBAGLBSA-N 1 1 296.342 3.363 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000362439877 381990844 /nfs/dbraw/zinc/99/08/44/381990844.db2.gz PWTJKYMNGLDLLJ-OLZOCXBDSA-N 1 1 278.352 3.094 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)CC[C@@H]1C ZINC000362435583 381991806 /nfs/dbraw/zinc/99/18/06/381991806.db2.gz DLYQAAQXYAQMFO-RYUDHWBXSA-N 1 1 278.352 3.224 20 5 CGBDMO CCCC[C@@H](C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000289841344 197502290 /nfs/dbraw/zinc/50/22/90/197502290.db2.gz KFVNRLASDIJEKP-DOMZBBRYSA-N 1 1 280.368 3.139 20 5 CGBDMO CC[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000281360036 195209683 /nfs/dbraw/zinc/20/96/83/195209683.db2.gz LDLZFZKBUKKZPA-CHWSQXEVSA-N 1 1 278.352 3.157 20 5 CGBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000301551239 392594782 /nfs/dbraw/zinc/59/47/82/392594782.db2.gz QRNIWNTWLGDJPP-MFKMUULPSA-N 1 1 297.786 3.025 20 5 CGBDMO C[C@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000182113559 392743486 /nfs/dbraw/zinc/74/34/86/392743486.db2.gz MZCSMWLEEHEYTQ-JTQLQIEISA-N 1 1 291.738 3.494 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505800554 392699461 /nfs/dbraw/zinc/69/94/61/392699461.db2.gz CLFDJXFDNICJFT-LLVKDONJSA-N 1 1 266.316 3.356 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(C)(C)C ZINC000510625848 392806069 /nfs/dbraw/zinc/80/60/69/392806069.db2.gz ZXVBAKFRZZVJCG-UHFFFAOYSA-N 1 1 280.368 3.471 20 5 CGBDMO CC(C)C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000466706735 393048454 /nfs/dbraw/zinc/04/84/54/393048454.db2.gz KTQZDDGFQHYNSS-CQSZACIVSA-N 1 1 292.379 3.342 20 5 CGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000466935586 393074692 /nfs/dbraw/zinc/07/46/92/393074692.db2.gz KOKDDOQQGLHIJG-CHWSQXEVSA-N 1 1 278.352 3.094 20 5 CGBDMO CC[C@@]1(C)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000468150882 393128477 /nfs/dbraw/zinc/12/84/77/393128477.db2.gz VJNLTLFIMWKYKQ-HNNXBMFYSA-N 1 1 278.352 3.096 20 5 CGBDMO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276349112 393296851 /nfs/dbraw/zinc/29/68/51/393296851.db2.gz VYHMAHVQJSZKSV-NSHDSACASA-N 1 1 289.310 3.322 20 5 CGBDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276349112 393296855 /nfs/dbraw/zinc/29/68/55/393296855.db2.gz VYHMAHVQJSZKSV-NSHDSACASA-N 1 1 289.310 3.322 20 5 CGBDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000475722570 393413259 /nfs/dbraw/zinc/41/32/59/393413259.db2.gz HPMCQGZJOXPBRC-AGIUHOORSA-N 1 1 262.353 3.461 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000429563022 393480512 /nfs/dbraw/zinc/48/05/12/393480512.db2.gz AWJZRBMFSGCNKL-CMPLNLGQSA-N 1 1 296.342 3.363 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCSC[C@H](C)C1 ZINC000488241333 393473388 /nfs/dbraw/zinc/47/33/88/393473388.db2.gz DDRJSYNMXKQWNT-NEPJUHHUSA-N 1 1 280.393 3.341 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1C ZINC000357718593 393515211 /nfs/dbraw/zinc/51/52/11/393515211.db2.gz WRZOIFGHMPNLHN-GHMZBOCLSA-N 1 1 266.316 3.354 20 5 CGBDMO CCOc1cc(C[N@@H+]2CC(C)=C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000430284099 393558874 /nfs/dbraw/zinc/55/88/74/393558874.db2.gz KPJXJNOHHUFYLT-LBPRGKRZSA-N 1 1 290.363 3.392 20 5 CGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC1(C)C ZINC000489436100 393597407 /nfs/dbraw/zinc/59/74/07/393597407.db2.gz LNGVBYPYEJUSMP-GFCCVEGCSA-N 1 1 268.744 3.479 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC1(C)C ZINC000489436100 393597409 /nfs/dbraw/zinc/59/74/09/393597409.db2.gz LNGVBYPYEJUSMP-GFCCVEGCSA-N 1 1 268.744 3.479 20 5 CGBDMO CCC[C@H]([NH2+][C@@H](CN)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423262013 393656872 /nfs/dbraw/zinc/65/68/72/393656872.db2.gz LJUHZCXHGKPUSB-ZBFHGGJFSA-N 1 1 293.411 3.399 20 5 CGBDMO CCc1ncc(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)o1 ZINC000453396178 394231238 /nfs/dbraw/zinc/23/12/38/394231238.db2.gz URHQZTXJVCSSPO-CQSZACIVSA-N 1 1 289.335 3.386 20 5 CGBDMO Cc1ccc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000093500193 165330550 /nfs/dbraw/zinc/33/05/50/165330550.db2.gz VKWQACGFJMQDRA-NWDGAFQWSA-N 1 1 280.393 3.229 20 5 CGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(C)C ZINC000126393520 287263676 /nfs/dbraw/zinc/26/36/76/287263676.db2.gz VIGMDDNCDIKXSF-UHFFFAOYSA-N 1 1 288.294 3.427 20 5 CGBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000071377649 176142952 /nfs/dbraw/zinc/14/29/52/176142952.db2.gz PFWGJEJYDXXIPY-UHFFFAOYSA-N 1 1 281.331 3.020 20 5 CGBDMO C[N@@H+](CCOCC1CC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000130814129 287363797 /nfs/dbraw/zinc/36/37/97/287363797.db2.gz UOIJEDUWBFAXBY-UHFFFAOYSA-N 1 1 298.770 3.107 20 5 CGBDMO C[N@H+](CCOCC1CC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000130814129 287363793 /nfs/dbraw/zinc/36/37/93/287363793.db2.gz UOIJEDUWBFAXBY-UHFFFAOYSA-N 1 1 298.770 3.107 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2C2CCOCC2)cs1 ZINC000347669127 226216230 /nfs/dbraw/zinc/21/62/30/226216230.db2.gz WOWLAFWBVHSJJR-ZDUSSCGKSA-N 1 1 296.392 3.047 20 5 CGBDMO CCN(CC)C[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000045691556 270039100 /nfs/dbraw/zinc/03/91/00/270039100.db2.gz VZVOBGQBHCLZFB-UONOGXRCSA-N 1 1 293.411 3.284 20 5 CGBDMO C[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000525120856 270117414 /nfs/dbraw/zinc/11/74/14/270117414.db2.gz ARIYQEPNDLWBJD-CHWSQXEVSA-N 1 1 262.353 3.258 20 5 CGBDMO CCc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)on1 ZINC000531979572 270211912 /nfs/dbraw/zinc/21/19/12/270211912.db2.gz KFSYGPFSLSUXJV-NSHDSACASA-N 1 1 289.335 3.304 20 5 CGBDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000532928266 270219661 /nfs/dbraw/zinc/21/96/61/270219661.db2.gz IXBFTBSVOIQTBS-NSHDSACASA-N 1 1 280.368 3.470 20 5 CGBDMO CC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000361252359 276353886 /nfs/dbraw/zinc/35/38/86/276353886.db2.gz QPBJKDIEYGLYAX-AWEZNQCLSA-N 1 1 292.379 3.329 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000246206128 280364065 /nfs/dbraw/zinc/36/40/65/280364065.db2.gz XQFROQMSQXWZHZ-CABCVRRESA-N 1 1 292.404 3.455 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000268036208 281011141 /nfs/dbraw/zinc/01/11/41/281011141.db2.gz MMEVACWCVLSCFO-UHFFFAOYSA-N 1 1 286.335 3.010 20 5 CGBDMO CCCC[N@@H+](C)C[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000571453733 322299287 /nfs/dbraw/zinc/29/92/87/322299287.db2.gz APFWCFVRWCRVER-KGLIPLIRSA-N 1 1 293.411 3.366 20 5 CGBDMO CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000571453733 322299289 /nfs/dbraw/zinc/29/92/89/322299289.db2.gz APFWCFVRWCRVER-KGLIPLIRSA-N 1 1 293.411 3.366 20 5 CGBDMO CCOc1cc(C[N@@H+](C)[C@@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000571950333 322313408 /nfs/dbraw/zinc/31/34/08/322313408.db2.gz UWEDCTGLZXZKFH-NSHDSACASA-N 1 1 278.352 3.224 20 5 CGBDMO CCC(C)(C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000358426387 528538129 /nfs/dbraw/zinc/53/81/29/528538129.db2.gz LXPAUVNQYIBNRI-UHFFFAOYSA-N 1 1 266.341 3.224 20 5 CGBDMO CC[C@@H]([NH2+][C@H](CN)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423263740 529206464 /nfs/dbraw/zinc/20/64/64/529206464.db2.gz OUWQXTUPCOKTSK-DZGCQCFKSA-N 1 1 279.384 3.009 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000160087294 529344098 /nfs/dbraw/zinc/34/40/98/529344098.db2.gz RMHMTGNPPLNAQD-KGLIPLIRSA-N 1 1 293.411 3.284 20 5 CGBDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000160087294 529344101 /nfs/dbraw/zinc/34/41/01/529344101.db2.gz RMHMTGNPPLNAQD-KGLIPLIRSA-N 1 1 293.411 3.284 20 5 CGBDMO COC1(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000483180574 536622156 /nfs/dbraw/zinc/62/21/56/536622156.db2.gz QLSVTZGLNILPDH-UHFFFAOYSA-N 1 1 292.379 3.376 20 5 CGBDMO C[C@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000725777595 572399667 /nfs/dbraw/zinc/39/96/67/572399667.db2.gz GLYPFMDZLGGCIB-VIFPVBQESA-N 1 1 293.348 3.171 20 5 CGBDMO C[C@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000725777595 572399669 /nfs/dbraw/zinc/39/96/69/572399669.db2.gz GLYPFMDZLGGCIB-VIFPVBQESA-N 1 1 293.348 3.171 20 5 CGBDMO C[C@H]1C[NH+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000743856759 572691633 /nfs/dbraw/zinc/69/16/33/572691633.db2.gz NICUOPWXIJIONI-UWVGGRQHSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000745170848 572803226 /nfs/dbraw/zinc/80/32/26/572803226.db2.gz UFWCBTTYAAKHIG-NSHDSACASA-N 1 1 266.316 3.356 20 5 CGBDMO CC(C)CC[N@@H+](Cn1nccc1[N+](=O)[O-])C1CCCC1 ZINC000746063776 572849818 /nfs/dbraw/zinc/84/98/18/572849818.db2.gz FJPGVHNGTIIZAS-UHFFFAOYSA-N 1 1 280.372 3.040 20 5 CGBDMO C[C@@H]([N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-])C1(C)CC1 ZINC000177248261 618810721 /nfs/dbraw/zinc/81/07/21/618810721.db2.gz RYBQHGIJPXTZTA-SNVBAGLBSA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@H]([NH2+]Cc1cccc(Cl)n1)c1cccc([N+](=O)[O-])c1 ZINC000180416912 618877970 /nfs/dbraw/zinc/87/79/70/618877970.db2.gz WGRBCIQWMWCJGD-JTQLQIEISA-N 1 1 291.738 3.494 20 5 CGBDMO C[N@@H+](CC1CC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000048961409 619210949 /nfs/dbraw/zinc/21/09/49/619210949.db2.gz FVWSDNSFTZMYFU-UHFFFAOYSA-N 1 1 293.348 3.171 20 5 CGBDMO CC[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H](C)C(C)C ZINC000067366744 619674019 /nfs/dbraw/zinc/67/40/19/619674019.db2.gz GAGPOSHMXLYMFS-LBPRGKRZSA-N 1 1 290.367 3.268 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CC(Cc2ccoc2)C1 ZINC000898160564 620484332 /nfs/dbraw/zinc/48/43/32/620484332.db2.gz JNYXBGNVFQMMMZ-HWKANZROSA-N 1 1 298.342 3.376 20 5 CGBDMO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NCC[N+](=O)[O-] ZINC000905331927 622062737 /nfs/dbraw/zinc/06/27/37/622062737.db2.gz YFFORFKBPRWSPG-ZDUSSCGKSA-N 1 1 277.368 3.062 20 5 CGBDMO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NCC[N+](=O)[O-] ZINC000905331927 622062741 /nfs/dbraw/zinc/06/27/41/622062741.db2.gz YFFORFKBPRWSPG-ZDUSSCGKSA-N 1 1 277.368 3.062 20 5 CGBDMO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000816648867 625596936 /nfs/dbraw/zinc/59/69/36/625596936.db2.gz QDCICVSEFKTJIY-DTWKUNHWSA-N 1 1 254.717 3.088 20 5 CGBDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000816648867 625596944 /nfs/dbraw/zinc/59/69/44/625596944.db2.gz QDCICVSEFKTJIY-DTWKUNHWSA-N 1 1 254.717 3.088 20 5 CGBDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000839659209 626771829 /nfs/dbraw/zinc/77/18/29/626771829.db2.gz XRORXYGUXQAGKP-SNVBAGLBSA-N 1 1 293.323 3.123 20 5 CGBDMO C[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])CC12CCCCC2 ZINC000764955661 627233989 /nfs/dbraw/zinc/23/39/89/627233989.db2.gz OXZANTVAHWJKHN-ZDUSSCGKSA-N 1 1 292.383 3.041 20 5 CGBDMO C[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])CC12CCCCC2 ZINC000764955661 627233991 /nfs/dbraw/zinc/23/39/91/627233991.db2.gz OXZANTVAHWJKHN-ZDUSSCGKSA-N 1 1 292.383 3.041 20 5 CGBDMO CCC[N@@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000764969242 627234641 /nfs/dbraw/zinc/23/46/41/627234641.db2.gz HFIXDUAACRWCLD-UHFFFAOYSA-N 1 1 288.351 3.085 20 5 CGBDMO CC(C)CC(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1Cl ZINC000782320864 628638444 /nfs/dbraw/zinc/63/84/44/628638444.db2.gz KKIMKRHOBPIRHC-UHFFFAOYSA-N 1 1 285.731 3.293 20 5 CGBDMO Cc1c(F)nccc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000862291782 629340911 /nfs/dbraw/zinc/34/09/11/629340911.db2.gz POLRIFCIMOEFRN-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO CC(C)CC[C@H]([NH3+])c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000863657793 629636831 /nfs/dbraw/zinc/63/68/31/629636831.db2.gz HIKBTTGVVRGOCN-LBPRGKRZSA-N 1 1 290.323 3.081 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](C3CC3)C2)cc1F ZINC000808778150 630677587 /nfs/dbraw/zinc/67/75/87/630677587.db2.gz NZDVRTLWTIHAOT-CYBMUJFWSA-N 1 1 278.327 3.356 20 5 CGBDMO NC(=[NH+]OCc1c(F)cc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000820706553 632668339 /nfs/dbraw/zinc/66/83/39/632668339.db2.gz PWKMBSVSLBGIAW-UHFFFAOYSA-N 1 1 299.277 3.062 20 5 CGBDMO CS[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000824683294 633272353 /nfs/dbraw/zinc/27/23/53/633272353.db2.gz CRKZJDGNKRUPLB-JTQLQIEISA-N 1 1 286.784 3.186 20 5 CGBDMO CS[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000824683294 633272360 /nfs/dbraw/zinc/27/23/60/633272360.db2.gz CRKZJDGNKRUPLB-JTQLQIEISA-N 1 1 286.784 3.186 20 5 CGBDMO C[C@@H]([NH2+][C@@H]1C=CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085757 634010843 /nfs/dbraw/zinc/01/08/43/634010843.db2.gz QLHAHTLMFNMQNA-NXEZZACHSA-N 1 1 250.273 3.103 20 5 CGBDMO CC[N@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C[C@@H]1CCOC1 ZINC000876595548 634864093 /nfs/dbraw/zinc/86/40/93/634864093.db2.gz HSRSYVOEVIZOOP-AWEZNQCLSA-N 1 1 292.379 3.070 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](CF)C1 ZINC000880293419 635966031 /nfs/dbraw/zinc/96/60/31/635966031.db2.gz KGUZACXCJAIBSF-SECBINFHSA-N 1 1 272.707 3.040 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](CF)C1 ZINC000880293419 635966034 /nfs/dbraw/zinc/96/60/34/635966034.db2.gz KGUZACXCJAIBSF-SECBINFHSA-N 1 1 272.707 3.040 20 5 CGBDMO C[N@@H+](CCC1CC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000135256389 637101589 /nfs/dbraw/zinc/10/15/89/637101589.db2.gz RFYTWOGCOLUQPC-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO Cc1ccccc1[C@H](C)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885962569 637333382 /nfs/dbraw/zinc/33/33/82/637333382.db2.gz BPOXOAWSWYZQLI-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1ccccc1[C@H](C)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885962569 637333386 /nfs/dbraw/zinc/33/33/86/637333386.db2.gz BPOXOAWSWYZQLI-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO CCS[C@@H]1CCCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886006877 637356533 /nfs/dbraw/zinc/35/65/33/637356533.db2.gz YCBSYFHTFWBXMZ-CYBMUJFWSA-N 1 1 295.408 3.097 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000886052345 637390709 /nfs/dbraw/zinc/39/07/09/637390709.db2.gz ORWLCNIXJDJALI-HNNXBMFYSA-N 1 1 299.330 3.033 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000886052345 637390713 /nfs/dbraw/zinc/39/07/13/637390713.db2.gz ORWLCNIXJDJALI-HNNXBMFYSA-N 1 1 299.330 3.033 20 5 CGBDMO Cc1ccccc1C1([NH2+]Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886264462 637471620 /nfs/dbraw/zinc/47/16/20/637471620.db2.gz ZFXZGHLRRVIZKY-UHFFFAOYSA-N 1 1 283.331 3.077 20 5 CGBDMO C[C@H]([NH2+][C@H]1CCc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000886561717 637583299 /nfs/dbraw/zinc/58/32/99/637583299.db2.gz HFNWTNFJOQTEDQ-FZMZJTMJSA-N 1 1 283.331 3.328 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568261 637584807 /nfs/dbraw/zinc/58/48/07/637584807.db2.gz DZFGSCBONWWISA-RWMBFGLXSA-N 1 1 292.404 3.259 20 5 CGBDMO CC[N@H+]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000853457662 637847634 /nfs/dbraw/zinc/84/76/34/637847634.db2.gz FFOZHTKJPOGHOK-JTQLQIEISA-N 1 1 299.321 3.063 20 5 CGBDMO Cc1cc(C)nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000930354327 638992730 /nfs/dbraw/zinc/99/27/30/638992730.db2.gz OQZGMGLBVMFOJD-UHFFFAOYSA-N 1 1 299.374 3.281 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(F)(C3CC3)CC2)cc1F ZINC000932625571 639368693 /nfs/dbraw/zinc/36/86/93/639368693.db2.gz ALBMCXVWTXNXEX-UHFFFAOYSA-N 1 1 296.317 3.448 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000253069734 640870534 /nfs/dbraw/zinc/87/05/34/640870534.db2.gz LVZUVPVLASAYGZ-GHMZBOCLSA-N 1 1 266.316 3.212 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)CC12CC2 ZINC001254566173 806453246 /nfs/dbraw/zinc/45/32/46/806453246.db2.gz RJLFAXMMPGOYFA-OLZOCXBDSA-N 1 1 274.364 3.400 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCCC(F)(F)CC1)C2 ZINC001254600935 806459237 /nfs/dbraw/zinc/45/92/37/806459237.db2.gz WXBXEZQGTVPYIH-CQSZACIVSA-N 1 1 296.317 3.183 20 5 CGBDMO C[N@@H+](CC1CCCC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604973 806460460 /nfs/dbraw/zinc/46/04/60/806460460.db2.gz ZRDIUOCZKMRNJQ-MRXNPFEDSA-N 1 1 274.364 3.184 20 5 CGBDMO CCC[N@H+]1CC[C@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000693032985 799806643 /nfs/dbraw/zinc/80/66/43/799806643.db2.gz XSJIEKUZGKNHFL-LLVKDONJSA-N 1 1 297.786 3.392 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CC(CC3CC3)C2)c1 ZINC000699593858 799863858 /nfs/dbraw/zinc/86/38/58/799863858.db2.gz MLEMIORSFQJXKR-UHFFFAOYSA-N 1 1 280.755 3.480 20 5 CGBDMO CCC[C@H](Cc1ccccc1)[N@@H+](CCC)CC[N+](=O)[O-] ZINC001167306555 807179750 /nfs/dbraw/zinc/17/97/50/807179750.db2.gz GYMQPVZJIPYRMD-MRXNPFEDSA-N 1 1 278.396 3.387 20 5 CGBDMO C[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1C ZINC001168202443 807348785 /nfs/dbraw/zinc/34/87/85/807348785.db2.gz USCWYSWAZXYDDZ-QWRGUYRKSA-N 1 1 266.316 3.212 20 5 CGBDMO CCC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169021864 807554358 /nfs/dbraw/zinc/55/43/58/807554358.db2.gz APBSEVUOLXUZJL-HOTGVXAUSA-N 1 1 276.380 3.344 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC001169035811 807555355 /nfs/dbraw/zinc/55/53/55/807555355.db2.gz CKOCEYLEQIHKCX-AAEUAGOBSA-N 1 1 294.782 3.144 20 5 CGBDMO CC[N@@H+](Cc1cccs1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039798 807557315 /nfs/dbraw/zinc/55/73/15/807557315.db2.gz UBIRATXVKBRBBY-RYUDHWBXSA-N 1 1 268.382 3.015 20 5 CGBDMO CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)C ZINC001261639641 807771358 /nfs/dbraw/zinc/77/13/58/807771358.db2.gz JWAFLXDRWXEHEB-UHFFFAOYSA-N 1 1 254.305 3.354 20 5 CGBDMO COc1ccc(C[C@H](C)[N@@H+](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC001170341521 807828445 /nfs/dbraw/zinc/82/84/45/807828445.db2.gz JTUKXIYLXVIKDW-NSHDSACASA-N 1 1 280.368 3.265 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@@H]1CF)CC2 ZINC001172913800 808477734 /nfs/dbraw/zinc/47/77/34/808477734.db2.gz VDFMTIADPUVOGI-GDBMZVCRSA-N 1 1 292.354 3.276 20 5 CGBDMO CC[N@@H+](C(C)C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173181253 808532971 /nfs/dbraw/zinc/53/29/71/808532971.db2.gz CIXGOMMMTDJHQU-NSHDSACASA-N 1 1 298.358 3.404 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222771 808540271 /nfs/dbraw/zinc/54/02/71/808540271.db2.gz VMLAFGQCNNBQSI-VXGBXAGGSA-N 1 1 250.342 3.256 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC2CCC1CC2 ZINC001173235715 808544751 /nfs/dbraw/zinc/54/47/51/808544751.db2.gz YUXADZQYNPNIRF-GRTSSRMGSA-N 1 1 274.364 3.400 20 5 CGBDMO O=[N+]([O-])c1ccc(F)c(Nc2c[nH+]c3ccccn23)c1 ZINC001175735363 809522615 /nfs/dbraw/zinc/52/26/15/809522615.db2.gz FPWBHLJZVBMERX-UHFFFAOYSA-N 1 1 272.239 3.125 20 5 CGBDMO CCC[N@@H+](CC[N+](=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC001190520620 810632877 /nfs/dbraw/zinc/63/28/77/810632877.db2.gz VCHWDXLHGCPLNN-LBPRGKRZSA-N 1 1 276.336 3.483 20 5 CGBDMO CNc1ccccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001204471757 812651292 /nfs/dbraw/zinc/65/12/92/812651292.db2.gz MPXCAXXYCLWZKA-UHFFFAOYSA-N 1 1 285.347 3.269 20 5 CGBDMO CNc1ccccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001204471757 812651294 /nfs/dbraw/zinc/65/12/94/812651294.db2.gz MPXCAXXYCLWZKA-UHFFFAOYSA-N 1 1 285.347 3.269 20 5 CGBDMO Cn1c[nH+]c2cccc(Nc3cccc([N+](=O)[O-])c3)c21 ZINC001204475306 812651305 /nfs/dbraw/zinc/65/13/05/812651305.db2.gz CIIGXKRIXLBKHN-UHFFFAOYSA-N 1 1 268.276 3.225 20 5 CGBDMO CC[N@H+]1CCC[C@@H](O[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001224025476 816723326 /nfs/dbraw/zinc/72/33/26/816723326.db2.gz MPSRCTMIOSSSHV-SWLSCSKDSA-N 1 1 278.352 3.157 20 5 CGBDMO CC[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001226809653 817472677 /nfs/dbraw/zinc/47/26/77/817472677.db2.gz GAZJCDSYQWLHCU-LLVKDONJSA-N 1 1 284.743 3.111 20 5 CGBDMO Cc1cc(C)c(O[C@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001228238716 817847033 /nfs/dbraw/zinc/84/70/33/817847033.db2.gz WQKYJXCKZCHORT-AWEZNQCLSA-N 1 1 292.379 3.463 20 5 CGBDMO CC[N@H+]1CCC[C@H](Oc2c(C)cc(C)cc2[N+](=O)[O-])C1 ZINC001228238273 817847080 /nfs/dbraw/zinc/84/70/80/817847080.db2.gz UAQLDWDCHXILKG-ZDUSSCGKSA-N 1 1 278.352 3.075 20 5 CGBDMO CC[C@H](C)[C@@H](C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])OC ZINC001308588082 928533794 /nfs/dbraw/zinc/53/37/94/928533794.db2.gz ZSCHPNHUSJCDTI-SWLSCSKDSA-N 1 1 280.368 3.088 20 5 CGBDMO Cc1cccc([C@@H]2CCCCC[N@H+]2CC[N+](=O)[O-])c1 ZINC001459534918 937491186 /nfs/dbraw/zinc/49/11/86/937491186.db2.gz BYRFPRHDROIIED-HNNXBMFYSA-N 1 1 262.353 3.189 20 5 CGBDMO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1CC[N@H+](C(C)C)C1 ZINC001230723317 932614563 /nfs/dbraw/zinc/61/45/63/932614563.db2.gz HZHRMUSNELLVQJ-ZDUSSCGKSA-N 1 1 278.352 3.073 20 5 CGBDMO C[C@@H]1CCCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001307693401 932988006 /nfs/dbraw/zinc/98/80/06/932988006.db2.gz QLBJQAWZKSVEHE-LLVKDONJSA-N 1 1 266.316 3.356 20 5 CGBDMO CC1(C)[C@@H](c2ccccc2Cl)CC[N@H+]1CC[N+](=O)[O-] ZINC001308037018 933038659 /nfs/dbraw/zinc/03/86/59/933038659.db2.gz XOPAEDKJRUXHNZ-GFCCVEGCSA-N 1 1 282.771 3.185 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC1CCC1 ZINC001462638686 937655864 /nfs/dbraw/zinc/65/58/64/937655864.db2.gz ZASFKYPQESLKOX-UHFFFAOYSA-N 1 1 262.353 3.444 20 5 CGBDMO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001318783769 933778664 /nfs/dbraw/zinc/77/86/64/933778664.db2.gz GREDWRZKSQFMID-GHMZBOCLSA-N 1 1 298.383 3.450 20 5 CGBDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001318783769 933778675 /nfs/dbraw/zinc/77/86/75/933778675.db2.gz GREDWRZKSQFMID-GHMZBOCLSA-N 1 1 298.383 3.450 20 5 CGBDMO CC[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC001473402600 937805091 /nfs/dbraw/zinc/80/50/91/937805091.db2.gz LMBLDNKRLOCEAR-OLZOCXBDSA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1Cl ZINC001473444415 937807157 /nfs/dbraw/zinc/80/71/57/937807157.db2.gz TWGHWVRLWFZUDF-SNVBAGLBSA-N 1 1 291.738 3.494 20 5 CGBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC001473675256 937816844 /nfs/dbraw/zinc/81/68/44/937816844.db2.gz LXKCBNMLKVCNMS-NSHDSACASA-N 1 1 266.316 3.212 20 5 CGBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC001327998452 935107779 /nfs/dbraw/zinc/10/77/79/935107779.db2.gz JLVPTNDIAZAKPF-UHFFFAOYSA-N 1 1 266.341 3.094 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCC(F)(F)C1)C2 ZINC001331756063 935408178 /nfs/dbraw/zinc/40/81/78/935408178.db2.gz DXBSSGHTCAJHPT-JTQLQIEISA-N 1 1 282.290 3.346 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCC(F)(F)C1)C2 ZINC001331756063 935408184 /nfs/dbraw/zinc/40/81/84/935408184.db2.gz DXBSSGHTCAJHPT-JTQLQIEISA-N 1 1 282.290 3.346 20 5 CGBDMO Cc1ccnc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC001474690394 937875294 /nfs/dbraw/zinc/87/52/94/937875294.db2.gz VENYBGLVPSLWBR-UHFFFAOYSA-N 1 1 291.738 3.241 20 5 CGBDMO CC[C@@H](C)[C@H](C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)OC ZINC001560696875 938270626 /nfs/dbraw/zinc/27/06/26/938270626.db2.gz GAGXZIOVBSSWJL-WBMJQRKESA-N 1 1 292.379 3.014 20 5 CGBDMO Cc1ccnc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000590020764 346822725 /nfs/dbraw/zinc/82/27/25/346822725.db2.gz JMDTWVGYQGYINB-UHFFFAOYSA-N 1 1 285.347 3.323 20 5 CGBDMO CC[C@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000350740990 219056431 /nfs/dbraw/zinc/05/64/31/219056431.db2.gz BTMDNYWEFABAFC-JTQLQIEISA-N 1 1 252.289 3.108 20 5 CGBDMO CC[C@H]([NH2+][C@@H](CN)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423535818 529654085 /nfs/dbraw/zinc/65/40/85/529654085.db2.gz YMXGPJFVMISOTH-HOTGVXAUSA-N 1 1 291.395 3.153 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)CCSC ZINC000592201390 346972350 /nfs/dbraw/zinc/97/23/50/346972350.db2.gz SGBWUJJNNQKGFJ-UHFFFAOYSA-N 1 1 298.408 3.178 20 5 CGBDMO CC(C)C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000054174195 345130272 /nfs/dbraw/zinc/13/02/72/345130272.db2.gz JCTKEIXXEGXGLN-UHFFFAOYSA-N 1 1 254.355 3.277 20 5 CGBDMO COc1ccc(C[N@H+]2CCC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000063618931 345250636 /nfs/dbraw/zinc/25/06/36/345250636.db2.gz CZDRRCPGYBMPHJ-ZDUSSCGKSA-N 1 1 278.352 3.224 20 5 CGBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](C)C(C)C ZINC000065299331 345271309 /nfs/dbraw/zinc/27/13/09/345271309.db2.gz LALFKGZVHBGLIO-CYBMUJFWSA-N 1 1 280.368 3.340 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065534217 345274058 /nfs/dbraw/zinc/27/40/58/345274058.db2.gz BZQHAMQNAHLCAU-LBPRGKRZSA-N 1 1 266.341 3.094 20 5 CGBDMO CC(C)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000065533489 345274271 /nfs/dbraw/zinc/27/42/71/345274271.db2.gz YAQNDSSGLWNDBQ-UHFFFAOYSA-N 1 1 278.352 3.094 20 5 CGBDMO CN1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000069087836 345372982 /nfs/dbraw/zinc/37/29/82/345372982.db2.gz BRAMKBQFCUIULS-UHFFFAOYSA-N 1 1 297.358 3.047 20 5 CGBDMO CC1CCC([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000071950420 345405777 /nfs/dbraw/zinc/40/57/77/345405777.db2.gz ZHTKECLWNRJVLX-UHFFFAOYSA-N 1 1 292.379 3.484 20 5 CGBDMO CCOC[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000081520659 345711450 /nfs/dbraw/zinc/71/14/50/345711450.db2.gz VCEKVKCCEQCJAM-QWHCGFSZSA-N 1 1 278.352 3.014 20 5 CGBDMO COCC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000273258254 192090972 /nfs/dbraw/zinc/09/09/72/192090972.db2.gz KHHDYBUSXKQVFE-ZDUSSCGKSA-N 1 1 290.319 3.055 20 5 CGBDMO CC1(C)CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000351751542 219195305 /nfs/dbraw/zinc/19/53/05/219195305.db2.gz JECUYSMBEZGNDN-UHFFFAOYSA-N 1 1 284.306 3.495 20 5 CGBDMO CC(C)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595293691 347287731 /nfs/dbraw/zinc/28/77/31/347287731.db2.gz DKANVVDELGXCLI-CYBMUJFWSA-N 1 1 266.316 3.354 20 5 CGBDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595373530 347296915 /nfs/dbraw/zinc/29/69/15/347296915.db2.gz LJDVMDOGARCHST-SNVBAGLBSA-N 1 1 286.372 3.307 20 5 CGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](CCF)C2)c1 ZINC000595755127 347350118 /nfs/dbraw/zinc/35/01/18/347350118.db2.gz GXAQPGBBJKUILR-CYBMUJFWSA-N 1 1 296.342 3.045 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000595763091 347352839 /nfs/dbraw/zinc/35/28/39/347352839.db2.gz NSKOTNWSRDBIOP-NSHDSACASA-N 1 1 284.306 3.306 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595782406 347354820 /nfs/dbraw/zinc/35/48/20/347354820.db2.gz ZKMQDUNNFABOPG-FRRDWIJNSA-N 1 1 278.352 3.155 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](CC1CC1)C1CCC1 ZINC000595466434 347307745 /nfs/dbraw/zinc/30/77/45/347307745.db2.gz LCXIOPTYOWYESZ-UHFFFAOYSA-N 1 1 278.327 3.498 20 5 CGBDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1C ZINC000595548963 347318021 /nfs/dbraw/zinc/31/80/21/347318021.db2.gz BILXDXXMWCAEBK-MXWKQRLJSA-N 1 1 266.316 3.210 20 5 CGBDMO Cc1cc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])s1 ZINC000596108893 347383957 /nfs/dbraw/zinc/38/39/57/347383957.db2.gz SCLRUTXIPSKLQY-JTQLQIEISA-N 1 1 292.364 3.072 20 5 CGBDMO O=[N+]([O-])c1ccccc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599163650 347722127 /nfs/dbraw/zinc/72/21/27/347722127.db2.gz GKCJOZYVZLJJSD-ZDUSSCGKSA-N 1 1 275.352 3.024 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602857730 348037592 /nfs/dbraw/zinc/03/75/92/348037592.db2.gz YPYULUGKWRYMAS-HNNXBMFYSA-N 1 1 297.358 3.369 20 5 CGBDMO Cc1noc(C[N@H+]2CCC[C@@H](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000602999768 348054086 /nfs/dbraw/zinc/05/40/86/348054086.db2.gz NQTIJQWUVYZXAJ-CYBMUJFWSA-N 1 1 293.367 3.293 20 5 CGBDMO C[C@H]1CCCC[N@H+]1CCCCNc1cccnc1[N+](=O)[O-] ZINC000603859714 348099750 /nfs/dbraw/zinc/09/97/50/348099750.db2.gz MLOAAKOFZDRELR-ZDUSSCGKSA-N 1 1 292.383 3.056 20 5 CGBDMO CC(C)[C@@H](C)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000603875023 348101058 /nfs/dbraw/zinc/10/10/58/348101058.db2.gz JDWNNTNDDWPPFE-GFCCVEGCSA-N 1 1 250.342 3.114 20 5 CGBDMO Cc1ccc(C[NH2+]Cc2ccc(Cl)o2)cc1[N+](=O)[O-] ZINC000604478629 348120811 /nfs/dbraw/zinc/12/08/11/348120811.db2.gz CEOWLGUUXLXDIJ-UHFFFAOYSA-N 1 1 280.711 3.439 20 5 CGBDMO COc1cc(C[N@H+]2CCCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000351922714 219250622 /nfs/dbraw/zinc/25/06/22/219250622.db2.gz JOTSNKAHDAYDQQ-GFCCVEGCSA-N 1 1 278.352 3.368 20 5 CGBDMO CC(C)[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1CC1 ZINC000609144580 348337629 /nfs/dbraw/zinc/33/76/29/348337629.db2.gz XOKLLGHYTDKEFF-UHFFFAOYSA-N 1 1 266.316 3.354 20 5 CGBDMO CC[N@@H+](C[C@H]1CCOC1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000611204950 348428382 /nfs/dbraw/zinc/42/83/82/348428382.db2.gz CGQPJHHAELXBNT-QWHCGFSZSA-N 1 1 278.352 3.014 20 5 CGBDMO CC[N@@H+](C[C@H]1CCOC1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000611515329 348458208 /nfs/dbraw/zinc/45/82/08/348458208.db2.gz JGQQXQJDRAHFTG-ZIAGYGMSSA-N 1 1 292.379 3.323 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOc2ccccc2C1 ZINC000612578225 348529360 /nfs/dbraw/zinc/52/93/60/348529360.db2.gz NDQUAJVWVBTCGB-UHFFFAOYSA-N 1 1 298.342 3.298 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOc2ccccc2C1 ZINC000612578225 348529365 /nfs/dbraw/zinc/52/93/65/348529365.db2.gz NDQUAJVWVBTCGB-UHFFFAOYSA-N 1 1 298.342 3.298 20 5 CGBDMO CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1CC1 ZINC000351996487 219281132 /nfs/dbraw/zinc/28/11/32/219281132.db2.gz UMUMMOCOPNLCNF-UHFFFAOYSA-N 1 1 270.279 3.105 20 5 CGBDMO CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1CC1 ZINC000351996487 219281135 /nfs/dbraw/zinc/28/11/35/219281135.db2.gz UMUMMOCOPNLCNF-UHFFFAOYSA-N 1 1 270.279 3.105 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000291582099 198042663 /nfs/dbraw/zinc/04/26/63/198042663.db2.gz OZVMBXJDEHCLJM-OAHLLOKOSA-N 1 1 272.348 3.359 20 5 CGBDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000122622800 187041788 /nfs/dbraw/zinc/04/17/88/187041788.db2.gz PURWSEANJRZZDF-GFCCVEGCSA-N 1 1 298.770 3.107 20 5 CGBDMO CSC[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000292382741 198266789 /nfs/dbraw/zinc/26/67/89/198266789.db2.gz JTAPQBRKRABFAZ-JTQLQIEISA-N 1 1 286.422 3.231 20 5 CGBDMO CSC[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000292556413 198331029 /nfs/dbraw/zinc/33/10/29/198331029.db2.gz ZAUMUXCFOZOIKJ-CQSZACIVSA-N 1 1 294.420 3.212 20 5 CGBDMO O=[N+]([O-])c1ccccc1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000301184701 200932317 /nfs/dbraw/zinc/93/23/17/200932317.db2.gz JJJROVLNWCADJH-LBPRGKRZSA-N 1 1 275.352 3.024 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000301562757 201069678 /nfs/dbraw/zinc/06/96/78/201069678.db2.gz LAPQBTWWIURGCR-ZDUSSCGKSA-N 1 1 277.368 3.190 20 5 CGBDMO O=[N+]([O-])c1ccccc1CCNc1cc[nH+]cc1Cl ZINC000301559902 201068529 /nfs/dbraw/zinc/06/85/29/201068529.db2.gz OLIIUANFBHONJE-UHFFFAOYSA-N 1 1 277.711 3.298 20 5 CGBDMO Cc1ccc(NC[C@@H]2CC[N@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000301584696 201081894 /nfs/dbraw/zinc/08/18/94/201081894.db2.gz ASJDNWWNHAUYDW-AWEZNQCLSA-N 1 1 291.395 3.293 20 5 CGBDMO CC(C)C[N@H+]1CC[C@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000301607566 201093648 /nfs/dbraw/zinc/09/36/48/201093648.db2.gz NUBCLVFELAOYPS-GFCCVEGCSA-N 1 1 295.358 3.124 20 5 CGBDMO CC(C)C[N@H+]1CC[C@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000302025608 201303955 /nfs/dbraw/zinc/30/39/55/201303955.db2.gz PXLWSYXUZPJNEX-LLVKDONJSA-N 1 1 283.397 3.046 20 5 CGBDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000120489728 370773137 /nfs/dbraw/zinc/77/31/37/370773137.db2.gz XIIDMHYFVLWULA-NWDGAFQWSA-N 1 1 298.408 3.292 20 5 CGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000120489728 370773146 /nfs/dbraw/zinc/77/31/46/370773146.db2.gz XIIDMHYFVLWULA-NWDGAFQWSA-N 1 1 298.408 3.292 20 5 CGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCCF)C2)cc1 ZINC000451554138 240324653 /nfs/dbraw/zinc/32/46/53/240324653.db2.gz ZJBAIXWPDNKPFX-CYBMUJFWSA-N 1 1 266.316 3.134 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC2(C1)CCCC2 ZINC000459561905 242132825 /nfs/dbraw/zinc/13/28/25/242132825.db2.gz NXDJLPWPRPWWPR-UHFFFAOYSA-N 1 1 290.363 3.370 20 5 CGBDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000459672416 242173065 /nfs/dbraw/zinc/17/30/65/242173065.db2.gz IGNFCCBWCUHVLK-OAHLLOKOSA-N 1 1 292.379 3.294 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CC(C)(C)C1 ZINC000459754264 242212000 /nfs/dbraw/zinc/21/20/00/242212000.db2.gz MLHGUKHFEAXNFQ-UHFFFAOYSA-N 1 1 278.352 3.224 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC(C)(C)C ZINC000463377914 242395172 /nfs/dbraw/zinc/39/51/72/242395172.db2.gz OXUDPLSCUFXRSY-UHFFFAOYSA-N 1 1 280.368 3.471 20 5 CGBDMO CC1=C(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000482462768 243226619 /nfs/dbraw/zinc/22/66/19/243226619.db2.gz WZKBKIQJHNGKRU-UHFFFAOYSA-N 1 1 264.300 3.276 20 5 CGBDMO CC1=C(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000482462768 243226625 /nfs/dbraw/zinc/22/66/25/243226625.db2.gz WZKBKIQJHNGKRU-UHFFFAOYSA-N 1 1 264.300 3.276 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000033394704 368963282 /nfs/dbraw/zinc/96/32/82/368963282.db2.gz WDUFHALGCCZXFY-OYVUYXNMSA-N 1 1 260.337 3.482 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C/C=C\c1ccncc1)CC2 ZINC000494927369 244331289 /nfs/dbraw/zinc/33/12/89/244331289.db2.gz AQNLWFUIEULAMW-UPHRSURJSA-N 1 1 295.342 3.061 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C/C=C\c1ccncc1)CC2 ZINC000494927369 244331293 /nfs/dbraw/zinc/33/12/93/244331293.db2.gz AQNLWFUIEULAMW-UPHRSURJSA-N 1 1 295.342 3.061 20 5 CGBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000048947803 369375650 /nfs/dbraw/zinc/37/56/50/369375650.db2.gz HLAKRZMKZQJDPU-LBPRGKRZSA-N 1 1 298.770 3.249 20 5 CGBDMO CC(C)c1ccc(C[N@H+](C[C@@H](C)O)C(C)C)cc1[N+](=O)[O-] ZINC000093144622 370112285 /nfs/dbraw/zinc/11/22/85/370112285.db2.gz QXELMLWGRLKQER-CYBMUJFWSA-N 1 1 294.395 3.309 20 5 CGBDMO CCCC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000131905859 371138716 /nfs/dbraw/zinc/13/87/16/371138716.db2.gz NILGICINBAZWRQ-LBPRGKRZSA-N 1 1 293.367 3.044 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCc3ccsc3C2)cc1 ZINC000132944519 371214127 /nfs/dbraw/zinc/21/41/27/371214127.db2.gz PGNQNNNUZPBUHP-UHFFFAOYSA-N 1 1 288.372 3.257 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1C ZINC000220352361 376207479 /nfs/dbraw/zinc/20/74/79/376207479.db2.gz DSMNNXHGFOTCCN-GFCCVEGCSA-N 1 1 265.357 3.045 20 5 CGBDMO Cc1c([C@@H](C)[NH2+]Cc2ccco2)cccc1[N+](=O)[O-] ZINC000152037750 371668784 /nfs/dbraw/zinc/66/87/84/371668784.db2.gz JCZOHDOSTXDPGN-LLVKDONJSA-N 1 1 260.293 3.347 20 5 CGBDMO CC(C)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000291331427 372162604 /nfs/dbraw/zinc/16/26/04/372162604.db2.gz USKXNOZFIQEEFM-ZKKXHLJNSA-N 1 1 290.363 3.107 20 5 CGBDMO CC(C)[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000293325279 372355489 /nfs/dbraw/zinc/35/54/89/372355489.db2.gz XTAVVFWLPDFBKM-CJNGLKHVSA-N 1 1 292.379 3.403 20 5 CGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000441441948 373013908 /nfs/dbraw/zinc/01/39/08/373013908.db2.gz CMHAKHSZYQYNCX-KBPBESRZSA-N 1 1 290.363 3.238 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000296156873 373040582 /nfs/dbraw/zinc/04/05/82/373040582.db2.gz UHMDNAVHSKSOSM-OAHLLOKOSA-N 1 1 292.379 3.150 20 5 CGBDMO CCOC[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000176307106 373580398 /nfs/dbraw/zinc/58/03/98/373580398.db2.gz SZKSRWJSRXEWPO-LLVKDONJSA-N 1 1 298.770 3.107 20 5 CGBDMO CCOC[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000176341418 373584817 /nfs/dbraw/zinc/58/48/17/373584817.db2.gz GMRVAWDVTXGWCP-NSHDSACASA-N 1 1 298.770 3.107 20 5 CGBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182028395 374206781 /nfs/dbraw/zinc/20/67/81/374206781.db2.gz NDMNKVCWWJBQHO-VIFPVBQESA-N 1 1 268.744 3.479 20 5 CGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330663250 374488935 /nfs/dbraw/zinc/48/89/35/374488935.db2.gz SWPQALYHOTUVJW-YPMHNXCESA-N 1 1 278.352 3.366 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC2(CC2)C1 ZINC000186987305 374950875 /nfs/dbraw/zinc/95/08/75/374950875.db2.gz NSSZEBAWYZMDCD-UHFFFAOYSA-N 1 1 264.300 3.110 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCC2(CC2)C1 ZINC000186987305 374950880 /nfs/dbraw/zinc/95/08/80/374950880.db2.gz NSSZEBAWYZMDCD-UHFFFAOYSA-N 1 1 264.300 3.110 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC3(CC3)C2)cc1 ZINC000186998749 374953546 /nfs/dbraw/zinc/95/35/46/374953546.db2.gz IFNYIPZRKDEANI-UHFFFAOYSA-N 1 1 260.337 3.013 20 5 CGBDMO Cc1ccc([C@H](C)Nc2[nH+]cnc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000487661472 375265903 /nfs/dbraw/zinc/26/59/03/375265903.db2.gz DSKZJCBVYZQUBQ-JTQLQIEISA-N 1 1 297.318 3.348 20 5 CGBDMO CC[C@@H](Nc1[nH+]cnc2[nH]ccc21)c1cccc([N+](=O)[O-])c1 ZINC000487658096 375266605 /nfs/dbraw/zinc/26/66/05/375266605.db2.gz QTFUOCVAGYTJDV-CYBMUJFWSA-N 1 1 297.318 3.429 20 5 CGBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC(C)C ZINC000193226578 375844276 /nfs/dbraw/zinc/84/42/76/375844276.db2.gz MOPBVIKHNMIOAS-UHFFFAOYSA-N 1 1 266.341 3.081 20 5 CGBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000538936688 376279604 /nfs/dbraw/zinc/27/96/04/376279604.db2.gz IUMVJVSPKBNXIG-DZGCQCFKSA-N 1 1 291.395 3.212 20 5 CGBDMO Cc1cccc(NCCNc2ccc([N+](=O)[O-])c(C)c2)[nH+]1 ZINC000338295056 376320555 /nfs/dbraw/zinc/32/05/55/376320555.db2.gz NFCODIZVGDCECL-UHFFFAOYSA-N 1 1 286.335 3.131 20 5 CGBDMO COc1cc(C[N@H+]2C[C@@H](C)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000542252108 376523291 /nfs/dbraw/zinc/52/32/91/376523291.db2.gz VFGQGQJLLUFKAX-LBPRGKRZSA-N 1 1 292.379 3.471 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000544785681 376763203 /nfs/dbraw/zinc/76/32/03/376763203.db2.gz DZBSBVJQWODRNQ-LBPRGKRZSA-N 1 1 262.353 3.463 20 5 CGBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000339570087 376763586 /nfs/dbraw/zinc/76/35/86/376763586.db2.gz VBNMVLXIGQJKGG-IUCAKERBSA-N 1 1 254.717 3.088 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000339570087 376763591 /nfs/dbraw/zinc/76/35/91/376763591.db2.gz VBNMVLXIGQJKGG-IUCAKERBSA-N 1 1 254.717 3.088 20 5 CGBDMO COc1ccc(C[N@H+]2CC[C@@H](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000339675594 376803516 /nfs/dbraw/zinc/80/35/16/376803516.db2.gz DWDKZPCYXGOZOL-AWEZNQCLSA-N 1 1 290.363 3.225 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000245960834 376945362 /nfs/dbraw/zinc/94/53/62/376945362.db2.gz UUYWMEVFGKVORU-NXEZZACHSA-N 1 1 254.355 3.134 20 5 CGBDMO CCOC[C@@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246097897 376966877 /nfs/dbraw/zinc/96/68/77/376966877.db2.gz AOIDFZKLCYGJNE-CHWSQXEVSA-N 1 1 278.352 3.014 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000563157448 377410701 /nfs/dbraw/zinc/41/07/01/377410701.db2.gz FSBNOOSIAPEOLB-MRXNPFEDSA-N 1 1 297.358 3.288 20 5 CGBDMO CC[C@]1(CO)CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249533091 377514017 /nfs/dbraw/zinc/51/40/17/377514017.db2.gz BMTLJUJEWGNXCA-CJNGLKHVSA-N 1 1 292.379 3.140 20 5 CGBDMO CC(C)c1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414926498 249124371 /nfs/dbraw/zinc/12/43/71/249124371.db2.gz NHZNGOMVXZSNOV-KBPBESRZSA-N 1 1 291.395 3.078 20 5 CGBDMO CCCn1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000574103495 377621171 /nfs/dbraw/zinc/62/11/71/377621171.db2.gz IXXFKJNQBVVXQQ-UHFFFAOYSA-N 1 1 299.374 3.365 20 5 CGBDMO CCCn1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000574103495 377621179 /nfs/dbraw/zinc/62/11/79/377621179.db2.gz IXXFKJNQBVVXQQ-UHFFFAOYSA-N 1 1 299.374 3.365 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC[C@H]1CCCO1 ZINC000342591043 377677350 /nfs/dbraw/zinc/67/73/50/377677350.db2.gz DFTISGQFBWNHSN-QWHCGFSZSA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1ccncc1[C@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000611939980 378406340 /nfs/dbraw/zinc/40/63/40/378406340.db2.gz PXZUAFSQIKYBTK-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO CC(C)c1[nH+]ccn1Cc1ccc([N+](=O)[O-])cc1F ZINC000272473953 378646405 /nfs/dbraw/zinc/64/64/05/378646405.db2.gz PWLJOEYGAFLWAM-UHFFFAOYSA-N 1 1 263.272 3.102 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(C)C ZINC000349875652 379434303 /nfs/dbraw/zinc/43/43/03/379434303.db2.gz PLGWFNQZJZSJDP-UHFFFAOYSA-N 1 1 266.341 3.081 20 5 CGBDMO Cc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000280621023 379748814 /nfs/dbraw/zinc/74/88/14/379748814.db2.gz ZUAIVHHKXOYURI-UKRRQHHQSA-N 1 1 292.379 3.029 20 5 CGBDMO COc1cc(C[N@H+]2C[C@@H](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352541266 379849208 /nfs/dbraw/zinc/84/92/08/379849208.db2.gz VTLIPFQDELSBQF-RYUDHWBXSA-N 1 1 278.352 3.224 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000352541617 379850726 /nfs/dbraw/zinc/85/07/26/379850726.db2.gz ZYOGEEZBDBGLRM-VXGBXAGGSA-N 1 1 278.352 3.224 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283407698 380059433 /nfs/dbraw/zinc/05/94/33/380059433.db2.gz FUGBKYSBMPQGKW-GFCCVEGCSA-N 1 1 293.367 3.044 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)cs1 ZINC000353997024 380271175 /nfs/dbraw/zinc/27/11/75/380271175.db2.gz HFEAOJHAJVACEL-CQSZACIVSA-N 1 1 288.372 3.473 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]2Cc2ccccc2)cs1 ZINC000353997024 380271180 /nfs/dbraw/zinc/27/11/80/380271180.db2.gz HFEAOJHAJVACEL-CQSZACIVSA-N 1 1 288.372 3.473 20 5 CGBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000353963583 380255914 /nfs/dbraw/zinc/25/59/14/380255914.db2.gz XTOHCYNZSUJXDT-ZBFHGGJFSA-N 1 1 292.379 3.230 20 5 CGBDMO Cc1occc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000414445140 380239593 /nfs/dbraw/zinc/23/95/93/380239593.db2.gz WAWWAUUKFZTHPQ-UHFFFAOYSA-N 1 1 274.320 3.171 20 5 CGBDMO CC[C@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000356984932 380971307 /nfs/dbraw/zinc/97/13/07/380971307.db2.gz ILLPAXLGSLUMBG-ZFWWWQNUSA-N 1 1 292.379 3.232 20 5 CGBDMO CC[N@@H+](CCNc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000357236100 381078937 /nfs/dbraw/zinc/07/89/37/381078937.db2.gz SSUJWKBEFWYEHI-UHFFFAOYSA-N 1 1 265.357 3.045 20 5 CGBDMO C[C@@H]1CCCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000360601392 381590763 /nfs/dbraw/zinc/59/07/63/381590763.db2.gz XHQCBUCTPBSYCI-LLVKDONJSA-N 1 1 266.316 3.356 20 5 CGBDMO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1CCC1 ZINC000361483976 381769330 /nfs/dbraw/zinc/76/93/30/381769330.db2.gz HCYKEAGFSBXTOV-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@@H](C)C1 ZINC000361629514 381847722 /nfs/dbraw/zinc/84/77/22/381847722.db2.gz KTPGENLZZZFUPP-UKRRQHHQSA-N 1 1 292.379 3.232 20 5 CGBDMO COc1cc(C[N@H+]2C[C@H](C)CC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000362313277 381939018 /nfs/dbraw/zinc/93/90/18/381939018.db2.gz CELWJQINFZHOLA-GHMZBOCLSA-N 1 1 296.342 3.363 20 5 CGBDMO CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](C)OC ZINC000291050380 285095150 /nfs/dbraw/zinc/09/51/50/285095150.db2.gz IFNKSALENOYCHE-JTQLQIEISA-N 1 1 286.759 3.105 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC(F)F ZINC000298055993 285161516 /nfs/dbraw/zinc/16/15/16/285161516.db2.gz JKLNXMYKNHQZBQ-CMPLNLGQSA-N 1 1 284.306 3.161 20 5 CGBDMO CSCCC[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000281374102 195214573 /nfs/dbraw/zinc/21/45/73/195214573.db2.gz LWLUWSDEKDPKNL-LLVKDONJSA-N 1 1 268.382 3.341 20 5 CGBDMO COc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000177514318 533571215 /nfs/dbraw/zinc/57/12/15/533571215.db2.gz JJQNOXHNAJKYKQ-OKILXGFUSA-N 1 1 290.363 3.225 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCS[C@H](C)CC1 ZINC000192176353 130388009 /nfs/dbraw/zinc/38/80/09/130388009.db2.gz OCHYSKZKPNZHHQ-NEPJUHHUSA-N 1 1 280.393 3.483 20 5 CGBDMO COc1ccc(C[N@H+](C)[C@H](C)c2ccco2)cc1[N+](=O)[O-] ZINC000069066474 392169618 /nfs/dbraw/zinc/16/96/18/392169618.db2.gz OIADEJBSKURHAF-LLVKDONJSA-N 1 1 290.319 3.389 20 5 CGBDMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccco2)cc1[N+](=O)[O-] ZINC000069066474 392169620 /nfs/dbraw/zinc/16/96/20/392169620.db2.gz OIADEJBSKURHAF-LLVKDONJSA-N 1 1 290.319 3.389 20 5 CGBDMO CC[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000151707492 392486692 /nfs/dbraw/zinc/48/66/92/392486692.db2.gz NHNRPLDJPAMHEM-HIFRSBDPSA-N 1 1 291.395 3.120 20 5 CGBDMO CO[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000371737008 392551221 /nfs/dbraw/zinc/55/12/21/392551221.db2.gz ZRFUWKSTQQKSOB-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO CO[C@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000374650432 392684591 /nfs/dbraw/zinc/68/45/91/392684591.db2.gz XSVHDLGAUJFFOJ-DOMZBBRYSA-N 1 1 278.352 3.157 20 5 CGBDMO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509122685 392738254 /nfs/dbraw/zinc/73/82/54/392738254.db2.gz LCQLJLZHVBDNGD-OTYXRUKQSA-N 1 1 284.306 3.493 20 5 CGBDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509122685 392738260 /nfs/dbraw/zinc/73/82/60/392738260.db2.gz LCQLJLZHVBDNGD-OTYXRUKQSA-N 1 1 284.306 3.493 20 5 CGBDMO CSC1(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000356312474 393417829 /nfs/dbraw/zinc/41/78/29/393417829.db2.gz XBWXURYSPZVKBZ-UHFFFAOYSA-N 1 1 294.420 3.355 20 5 CGBDMO C[C@@H]1CC[C@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000429555453 393478172 /nfs/dbraw/zinc/47/81/72/393478172.db2.gz FJZYIWYESCOEBT-OLZOCXBDSA-N 1 1 278.352 3.094 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@@H]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000429582174 393487573 /nfs/dbraw/zinc/48/75/73/393487573.db2.gz ZVDPPTDTYQXJGJ-WCQYABFASA-N 1 1 278.352 3.224 20 5 CGBDMO Cc1ccc(C[N@H+]2CC(C)=C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000430867560 393600913 /nfs/dbraw/zinc/60/09/13/393600913.db2.gz KWCZZGSWAXTVND-NSHDSACASA-N 1 1 260.337 3.301 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421023930 393581087 /nfs/dbraw/zinc/58/10/87/393581087.db2.gz WUMZUVXAYKNAAQ-ZIAGYGMSSA-N 1 1 292.379 3.140 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C2CC2)C1 ZINC000491159499 393669252 /nfs/dbraw/zinc/66/92/52/393669252.db2.gz DPBSIDODIBFCHC-DGCLKSJQSA-N 1 1 260.337 3.388 20 5 CGBDMO Cc1[nH+]cn(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1C ZINC000089901016 287096363 /nfs/dbraw/zinc/09/63/63/287096363.db2.gz JRNPSMRJHOREGG-UHFFFAOYSA-N 1 1 298.302 3.111 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCSCC1 ZINC000089984325 165221041 /nfs/dbraw/zinc/22/10/41/165221041.db2.gz JMLVVRDXZKFRMA-NSHDSACASA-N 1 1 266.366 3.095 20 5 CGBDMO CO[C@H]1CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000091772584 165270092 /nfs/dbraw/zinc/27/00/92/165270092.db2.gz DYQIWYJNOHZUQI-AWEZNQCLSA-N 1 1 292.379 3.329 20 5 CGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCC1 ZINC000093475972 165329363 /nfs/dbraw/zinc/32/93/63/165329363.db2.gz SCSQDTJRTSAWJE-UHFFFAOYSA-N 1 1 286.278 3.181 20 5 CGBDMO C[C@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119257130 287167204 /nfs/dbraw/zinc/16/72/04/287167204.db2.gz JQMKVYOPGWTXHW-VIFPVBQESA-N 1 1 254.717 3.233 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(F)c1 ZINC000037011477 260062207 /nfs/dbraw/zinc/06/22/07/260062207.db2.gz NWMYNCCBRZGEND-UHFFFAOYSA-N 1 1 290.294 3.032 20 5 CGBDMO C[C@H]1CSCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190842214 270074008 /nfs/dbraw/zinc/07/40/08/270074008.db2.gz JWDKPDDNPJFDLQ-DIECRNLCSA-N 1 1 292.404 3.293 20 5 CGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2ccoc2)c1 ZINC000195422176 270084683 /nfs/dbraw/zinc/08/46/83/270084683.db2.gz XCZGYODWCRHPCR-UHFFFAOYSA-N 1 1 298.245 3.079 20 5 CGBDMO CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531959474 270211779 /nfs/dbraw/zinc/21/17/79/270211779.db2.gz DKSBFBSMVSNMHJ-KGLIPLIRSA-N 1 1 293.411 3.284 20 5 CGBDMO CC(C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000532668290 270218305 /nfs/dbraw/zinc/21/83/05/270218305.db2.gz OJQZCNSCNSBPTA-UHFFFAOYSA-N 1 1 278.352 3.094 20 5 CGBDMO CCC[C@@]1(CO)CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000344236448 276036948 /nfs/dbraw/zinc/03/69/48/276036948.db2.gz MRJVRTVCBLJBLY-XJKSGUPXSA-N 1 1 292.379 3.140 20 5 CGBDMO CC[N@H+]1CCCN(c2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302833405 276368396 /nfs/dbraw/zinc/36/83/96/276368396.db2.gz SILJCKIWWLKQHX-UHFFFAOYSA-N 1 1 297.786 3.089 20 5 CGBDMO COC[C@@]1(C)CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000296567343 277256219 /nfs/dbraw/zinc/25/62/19/277256219.db2.gz CXNCCMIWCCBSDQ-WFASDCNBSA-N 1 1 278.352 3.014 20 5 CGBDMO CC[N@H+]1CC[C@@H](N(C)c2cc(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000301542180 279398337 /nfs/dbraw/zinc/39/83/37/279398337.db2.gz CPEZNIUOHIJIAQ-UONOGXRCSA-N 1 1 291.395 3.070 20 5 CGBDMO CC(C)[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000531527877 288337156 /nfs/dbraw/zinc/33/71/56/288337156.db2.gz XDPSKKMCUNTLAP-NSHDSACASA-N 1 1 254.355 3.134 20 5 CGBDMO C[C@@H]([N@@H+](C)CCOc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000549929423 289061435 /nfs/dbraw/zinc/06/14/35/289061435.db2.gz BBIZKSBLYDCFJC-GFCCVEGCSA-N 1 1 280.368 3.340 20 5 CGBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000549934003 289062093 /nfs/dbraw/zinc/06/20/93/289062093.db2.gz QWPQLUYTFPLCCT-UHFFFAOYSA-N 1 1 278.352 3.238 20 5 CGBDMO C[N@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000301069387 290058040 /nfs/dbraw/zinc/05/80/40/290058040.db2.gz KZRHWCHRBNGUSO-KRWDZBQOSA-N 1 1 297.358 3.088 20 5 CGBDMO Cc1noc(C)c1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000153940183 321731191 /nfs/dbraw/zinc/73/11/91/321731191.db2.gz ZFSBHAPDOSSCEP-SNVBAGLBSA-N 1 1 289.335 3.359 20 5 CGBDMO Cc1cnccc1CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000565418711 322077099 /nfs/dbraw/zinc/07/70/99/322077099.db2.gz DHYASZKCWBGFKS-UHFFFAOYSA-N 1 1 299.374 3.015 20 5 CGBDMO CC(C)[C@@H]1CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000568121689 322194349 /nfs/dbraw/zinc/19/43/49/322194349.db2.gz IUUNXKKNPGUTJK-VSKVDJIOSA-N 1 1 260.337 3.338 20 5 CGBDMO CCCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCCO ZINC000571091467 322289537 /nfs/dbraw/zinc/28/95/37/322289537.db2.gz XPXCYTDHQWJJGS-TWGQIWQCSA-N 1 1 292.379 3.093 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000571877767 322310295 /nfs/dbraw/zinc/31/02/95/322310295.db2.gz HLZBKJLUSNMLIX-INIZCTEOSA-N 1 1 297.358 3.288 20 5 CGBDMO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000423357041 533924256 /nfs/dbraw/zinc/92/42/56/533924256.db2.gz KYKHSEHOELQVMI-LBPRGKRZSA-N 1 1 297.358 3.049 20 5 CGBDMO Cc1c([C@@H](C)NC[C@@H]([NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000423243014 533943123 /nfs/dbraw/zinc/94/31/23/533943123.db2.gz MNJOONDSKAGNPO-CZUORRHYSA-N 1 1 299.374 3.254 20 5 CGBDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000362439878 534218230 /nfs/dbraw/zinc/21/82/30/534218230.db2.gz PWTJKYMNGLDLLJ-QWHCGFSZSA-N 1 1 278.352 3.094 20 5 CGBDMO CC[C@H](NCC[N@@H+](CC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000156625507 522589489 /nfs/dbraw/zinc/58/94/89/522589489.db2.gz WPSYVENKKODECF-INIZCTEOSA-N 1 1 293.411 3.366 20 5 CGBDMO CC[C@H]([NH2+]CCN(CC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000156625507 522589499 /nfs/dbraw/zinc/58/94/99/522589499.db2.gz WPSYVENKKODECF-INIZCTEOSA-N 1 1 293.411 3.366 20 5 CGBDMO Cc1ccc(C[N@@H+](C)[C@@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000183726766 524397808 /nfs/dbraw/zinc/39/78/08/524397808.db2.gz FPDSERXOPLYMKT-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1ccc(C[N@H+](C)[C@@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000183726766 524397816 /nfs/dbraw/zinc/39/78/16/524397816.db2.gz FPDSERXOPLYMKT-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO CC/C=C/CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352681705 528771910 /nfs/dbraw/zinc/77/19/10/528771910.db2.gz YYDGTPHGEVNRQM-ONEGZZNKSA-N 1 1 276.336 3.146 20 5 CGBDMO CC/C=C/CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352681705 528771919 /nfs/dbraw/zinc/77/19/19/528771919.db2.gz YYDGTPHGEVNRQM-ONEGZZNKSA-N 1 1 276.336 3.146 20 5 CGBDMO CCO[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000451523491 535634352 /nfs/dbraw/zinc/63/43/52/535634352.db2.gz JOEIFRJZTQVRLJ-WBMJQRKESA-N 1 1 292.379 3.150 20 5 CGBDMO CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000451540659 536749547 /nfs/dbraw/zinc/74/95/47/536749547.db2.gz GUPMSIVNIWWQMT-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000451540659 536749550 /nfs/dbraw/zinc/74/95/50/536749550.db2.gz GUPMSIVNIWWQMT-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO COC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000307783430 618132264 /nfs/dbraw/zinc/13/22/64/618132264.db2.gz ZCGCXTJHTWCCOM-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO COC[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000307783430 618132271 /nfs/dbraw/zinc/13/22/71/618132271.db2.gz ZCGCXTJHTWCCOM-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO Cc1cc(F)ncc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000893278534 619061502 /nfs/dbraw/zinc/06/15/02/619061502.db2.gz GKSZBZCZXWIWBJ-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO Cc1nn(C[N@H+](C)[C@@H]2CCC[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000841690891 619278142 /nfs/dbraw/zinc/27/81/42/619278142.db2.gz XMVYIQOPOWJBRT-QWHCGFSZSA-N 1 1 294.399 3.204 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CCCF ZINC000895895851 619904524 /nfs/dbraw/zinc/90/45/24/619904524.db2.gz GFRUHAXQOSSCGY-UHFFFAOYSA-N 1 1 254.305 3.003 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCn2cccc2C1 ZINC000896761273 620057796 /nfs/dbraw/zinc/05/77/96/620057796.db2.gz LZBIJHYBJYGZDE-GXDHUFHOSA-N 1 1 297.358 3.315 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCn2cccc2C1 ZINC000896761273 620057797 /nfs/dbraw/zinc/05/77/97/620057797.db2.gz LZBIJHYBJYGZDE-GXDHUFHOSA-N 1 1 297.358 3.315 20 5 CGBDMO CC[C@H]([NH2+][C@@H](C)c1cn(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000925232550 620254656 /nfs/dbraw/zinc/25/46/56/620254656.db2.gz XPURYTMHJAFNGV-FZMZJTMJSA-N 1 1 288.351 3.130 20 5 CGBDMO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245144 621637026 /nfs/dbraw/zinc/63/70/26/621637026.db2.gz IULCKNUHDKAGRP-WDEREUQCSA-N 1 1 288.351 3.081 20 5 CGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC1(Cl)Cl ZINC000914806580 623862514 /nfs/dbraw/zinc/86/25/14/623862514.db2.gz STCBABHBTLGOFB-SNVBAGLBSA-N 1 1 289.162 3.220 20 5 CGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC1(Cl)Cl ZINC000914806580 623862515 /nfs/dbraw/zinc/86/25/15/623862515.db2.gz STCBABHBTLGOFB-SNVBAGLBSA-N 1 1 289.162 3.220 20 5 CGBDMO Cc1cccc(OCC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000915664551 624019695 /nfs/dbraw/zinc/01/96/95/624019695.db2.gz MIRLCTOLQDXXCT-CYBMUJFWSA-N 1 1 278.352 3.156 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154361134 624260786 /nfs/dbraw/zinc/26/07/86/624260786.db2.gz CVIOWJJXELZVET-WWGRRREGSA-N 1 1 292.379 3.139 20 5 CGBDMO CC(C)(/C=C\Cl)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000922649471 626023781 /nfs/dbraw/zinc/02/37/81/626023781.db2.gz WHJVWLKRMBCOFE-WAYWQWQTSA-N 1 1 272.707 3.355 20 5 CGBDMO COC/C(C)=C\C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000929337071 626087840 /nfs/dbraw/zinc/08/78/40/626087840.db2.gz AADJFSPVKCCFDM-ZROIWOOFSA-N 1 1 292.379 3.398 20 5 CGBDMO C[C@@H]1CCC[C@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278253 628188459 /nfs/dbraw/zinc/18/84/59/628188459.db2.gz SQUIRAHMFBMRKX-UHOFOFEASA-N 1 1 292.379 3.139 20 5 CGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](C2CC2)C2CCCC2)cc1 ZINC000776581545 628221405 /nfs/dbraw/zinc/22/14/05/628221405.db2.gz FBVNDHRICJPHAX-MRXNPFEDSA-N 1 1 290.363 3.035 20 5 CGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccn1 ZINC000783592257 628729567 /nfs/dbraw/zinc/72/95/67/628729567.db2.gz AMEUAZXQGSZNCE-JTQLQIEISA-N 1 1 291.738 3.494 20 5 CGBDMO Cc1cc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000785836955 628890757 /nfs/dbraw/zinc/89/07/57/628890757.db2.gz JIHKQONQXBQREK-QWRGUYRKSA-N 1 1 297.786 3.085 20 5 CGBDMO Cc1cc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000785836955 628890760 /nfs/dbraw/zinc/89/07/60/628890760.db2.gz JIHKQONQXBQREK-QWRGUYRKSA-N 1 1 297.786 3.085 20 5 CGBDMO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccc[nH]1 ZINC000872052424 633976065 /nfs/dbraw/zinc/97/60/65/633976065.db2.gz RTWPOCDYQWVSOI-ZJUUUORDSA-N 1 1 277.299 3.474 20 5 CGBDMO C[C@@H]([NH2+]C1CC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872066849 633989782 /nfs/dbraw/zinc/98/97/82/633989782.db2.gz RXLUUSOMHAJOEI-SSDOTTSWSA-N 1 1 274.242 3.182 20 5 CGBDMO C[C@@H]1C[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000124189455 634182717 /nfs/dbraw/zinc/18/27/17/634182717.db2.gz HZGNUFYFZXRASH-MWLCHTKSSA-N 1 1 283.759 3.143 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CF)C1 ZINC000880232110 635944605 /nfs/dbraw/zinc/94/46/05/635944605.db2.gz GXLTUGSHVZIFNL-RYUDHWBXSA-N 1 1 266.316 3.337 20 5 CGBDMO CC[N@@H+](CCc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000885958006 637330646 /nfs/dbraw/zinc/33/06/46/637330646.db2.gz BFRUNAWRSWPMGR-UHFFFAOYSA-N 1 1 285.347 3.054 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000886285597 637483526 /nfs/dbraw/zinc/48/35/26/637483526.db2.gz NHHHGOMRCOKNEC-CYBMUJFWSA-N 1 1 275.352 3.002 20 5 CGBDMO CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852592012 637684588 /nfs/dbraw/zinc/68/45/88/637684588.db2.gz FRZNWSIQUNDRMV-XJKCOSOUSA-N 1 1 292.379 3.139 20 5 CGBDMO CC1(C)CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000112695343 638109085 /nfs/dbraw/zinc/10/90/85/638109085.db2.gz DPVVPAZSJBWONG-UHFFFAOYSA-N 1 1 288.351 3.024 20 5 CGBDMO CC1(C)C[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000934759394 639672547 /nfs/dbraw/zinc/67/25/47/639672547.db2.gz VUUYOJHYHPZASY-QWHCGFSZSA-N 1 1 275.352 3.000 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001254553499 806449828 /nfs/dbraw/zinc/44/98/28/806449828.db2.gz WDWGFTPXPDJBPQ-UHTWSYAYSA-N 1 1 296.317 3.113 20 5 CGBDMO C[N@@H+](CC(C)(C)C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600691 806458184 /nfs/dbraw/zinc/45/81/84/806458184.db2.gz QSGDFMSYVFVVBA-AWEZNQCLSA-N 1 1 262.353 3.040 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037110110 798859042 /nfs/dbraw/zinc/85/90/42/798859042.db2.gz LXHJSXQNKASXTK-SECBINFHSA-N 1 1 256.733 3.479 20 5 CGBDMO Cc1cc(NC[C@@H]2CC[N@H+]2C(C)(C)C)c(F)cc1[N+](=O)[O-] ZINC001163711360 806806561 /nfs/dbraw/zinc/80/65/61/806806561.db2.gz LSZVTFUOICLKCK-NSHDSACASA-N 1 1 295.358 3.327 20 5 CGBDMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)CC[N@H+]1C ZINC000719597921 800244332 /nfs/dbraw/zinc/24/43/32/800244332.db2.gz GBLVTHHFBLTRDO-GZMMTYOYSA-N 1 1 285.294 3.037 20 5 CGBDMO O=[N+]([O-])c1ccc(Nc2cc[nH+]cc2C(F)(F)F)cc1 ZINC001174475501 809031212 /nfs/dbraw/zinc/03/12/12/809031212.db2.gz GGJDPWZGKHTIHC-UHFFFAOYSA-N 1 1 283.209 3.174 20 5 CGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC3CCC2CC3)cc1 ZINC001119305107 802645787 /nfs/dbraw/zinc/64/57/87/802645787.db2.gz BOXLNUSCERRZKR-UHFFFAOYSA-N 1 1 290.363 3.238 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(NCC[C@@H]2CCC[N@H+](C)C2)c1F ZINC001165290195 806989559 /nfs/dbraw/zinc/98/95/59/806989559.db2.gz QAWSFELLPHACKQ-LBPRGKRZSA-N 1 1 295.358 3.186 20 5 CGBDMO Cc1c(F)cc([N+](=O)[O-])cc1NCC[C@H]1CCC[N@H+](C)C1 ZINC001165300346 806990400 /nfs/dbraw/zinc/99/04/00/806990400.db2.gz MIQAVSLWVMORHM-GFCCVEGCSA-N 1 1 295.358 3.186 20 5 CGBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170328291 807825973 /nfs/dbraw/zinc/82/59/73/807825973.db2.gz IXQRBLOZILYMTN-OLZOCXBDSA-N 1 1 292.379 3.266 20 5 CGBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329402 807826969 /nfs/dbraw/zinc/82/69/69/807826969.db2.gz QDKVEXZUDOSMSC-NEPJUHHUSA-N 1 1 278.352 3.019 20 5 CGBDMO COc1ccc(C[C@H](C)[N@H+]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC001170327688 807827008 /nfs/dbraw/zinc/82/70/08/807827008.db2.gz HBVXZNITZFSWOT-LBPRGKRZSA-N 1 1 292.379 3.409 20 5 CGBDMO COc1ccc(C[C@H](C)[N@@H+](C)C2CC(C)C2)c([N+](=O)[O-])c1 ZINC001170327604 807827122 /nfs/dbraw/zinc/82/71/22/807827122.db2.gz GTJIEOJKODFXNX-LXVYMNJGSA-N 1 1 292.379 3.265 20 5 CGBDMO C[C@@H]1C[C@@H](F)C[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904778 808476022 /nfs/dbraw/zinc/47/60/22/808476022.db2.gz AMEJTSCBLCMJOX-KCPJHIHWSA-N 1 1 292.354 3.275 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@@H]3C[C@@H]31)CC2 ZINC001172919310 808479893 /nfs/dbraw/zinc/47/98/93/808479893.db2.gz FRLSCYIBMNRCOT-INMHGKMJSA-N 1 1 286.375 3.327 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC001173226501 808541038 /nfs/dbraw/zinc/54/10/38/808541038.db2.gz MFCJULCRWFIWBS-QWHCGFSZSA-N 1 1 262.353 3.400 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC001173226109 808541432 /nfs/dbraw/zinc/54/14/32/808541432.db2.gz HQUHOGLQMFGUKT-CJNGLKHVSA-N 1 1 292.379 3.027 20 5 CGBDMO COc1ccc(Nc2cccc3[nH+]cn(C)c32)cc1[N+](=O)[O-] ZINC001176361666 809676928 /nfs/dbraw/zinc/67/69/28/809676928.db2.gz HRCQRDUIVGWLGE-UHFFFAOYSA-N 1 1 298.302 3.234 20 5 CGBDMO CC1(C)CCC[N@H+]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC001186681300 810356737 /nfs/dbraw/zinc/35/67/37/810356737.db2.gz QAEIJIUVTWNTNU-UHFFFAOYSA-N 1 1 281.331 3.020 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1Nc1ccc2[nH+]c(C)cn2c1 ZINC001210444491 814459020 /nfs/dbraw/zinc/45/90/20/814459020.db2.gz NZTAXMSRGWYEPD-UHFFFAOYSA-N 1 1 298.302 3.303 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1CO[C@H]1CCC[N@H+](C(C)C)C1 ZINC001223538206 816647983 /nfs/dbraw/zinc/64/79/83/816647983.db2.gz ILIGNFRSVUQGIW-AWEZNQCLSA-N 1 1 292.379 3.293 20 5 CGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC001226811352 817472376 /nfs/dbraw/zinc/47/23/76/817472376.db2.gz WWGFELNZTXKKDB-PEGIJTEDSA-N 1 1 296.754 3.252 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1O[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001226992164 817528754 /nfs/dbraw/zinc/52/87/54/817528754.db2.gz IWCNSLBRJFWZEQ-VIKVFOODSA-N 1 1 290.363 3.012 20 5 CGBDMO FC(F)C1C[NH+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232225425 818284795 /nfs/dbraw/zinc/28/47/95/818284795.db2.gz CDTZUSRSNQBLHI-UHFFFAOYSA-N 1 1 299.324 3.480 20 5 CGBDMO N[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@@H]1F ZINC001235893759 819203046 /nfs/dbraw/zinc/20/30/46/819203046.db2.gz RZGVEDNGQOAFBF-RBUKOAKNSA-N 1 1 294.373 3.474 20 5 CGBDMO N[C@@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)C[C@@H]1F ZINC001235893759 819203053 /nfs/dbraw/zinc/20/30/53/819203053.db2.gz RZGVEDNGQOAFBF-RBUKOAKNSA-N 1 1 294.373 3.474 20 5 CGBDMO CC(C)C[N@H+]1CCC[C@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC001458267812 937457268 /nfs/dbraw/zinc/45/72/68/937457268.db2.gz ICXMKQUUJZKAPI-GFCCVEGCSA-N 1 1 297.424 3.436 20 5 CGBDMO CCOc1cc(C[N@@H+](C)C[C@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC001460517260 937533877 /nfs/dbraw/zinc/53/38/77/937533877.db2.gz NAEOBLITHYCDGH-CYBMUJFWSA-N 1 1 292.379 3.471 20 5 CGBDMO CCC[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC001460900313 937551933 /nfs/dbraw/zinc/55/19/33/937551933.db2.gz JFWCOIRNTOMUTA-CYBMUJFWSA-N 1 1 278.352 3.368 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](C)C[C@H]1C ZINC001461861777 937602605 /nfs/dbraw/zinc/60/26/05/937602605.db2.gz RJKGQLFCBFYEOM-CMPLNLGQSA-N 1 1 262.353 3.442 20 5 CGBDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001229964556 932511569 /nfs/dbraw/zinc/51/15/69/932511569.db2.gz SROPRZZNJFAJRL-LLVKDONJSA-N 1 1 284.743 3.110 20 5 CGBDMO C[N@H+]1CCC[C@H](CCNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001472801926 937784829 /nfs/dbraw/zinc/78/48/29/937784829.db2.gz IUEIDYFJYXHVKV-LLVKDONJSA-N 1 1 297.786 3.392 20 5 CGBDMO Cc1noc(C[N@@H+](C)[C@H](C)Cc2cccs2)c1[N+](=O)[O-] ZINC001559588911 938230601 /nfs/dbraw/zinc/23/06/01/938230601.db2.gz MLNXUBSHGRWIPD-SECBINFHSA-N 1 1 295.364 3.016 20 5 CGBDMO Cc1noc(C[N@H+](C)[C@H](C)Cc2cccs2)c1[N+](=O)[O-] ZINC001559588911 938230602 /nfs/dbraw/zinc/23/06/02/938230602.db2.gz MLNXUBSHGRWIPD-SECBINFHSA-N 1 1 295.364 3.016 20 5 CGBDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC001559755827 938234463 /nfs/dbraw/zinc/23/44/63/938234463.db2.gz KJKAYYYSDODMAB-GXTWGEPZSA-N 1 1 277.368 3.390 20 5 CGBDMO C[C@@H]1CC(C)(C)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001559913689 938238718 /nfs/dbraw/zinc/23/87/18/938238718.db2.gz RQZLVIAKRUENEV-CYBMUJFWSA-N 1 1 292.379 3.484 20 5 CGBDMO Cc1noc(C[N@H+]2CCC[C@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC001560227874 938248221 /nfs/dbraw/zinc/24/82/21/938248221.db2.gz VLYORWWVUZIPKE-ZDUSSCGKSA-N 1 1 293.367 3.293 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOCC12CCCCC2 ZINC000590761860 346872534 /nfs/dbraw/zinc/87/25/34/346872534.db2.gz PQUQPWNGMUGQDD-UHFFFAOYSA-N 1 1 290.363 3.130 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCOCC12CCCCC2 ZINC000590761860 346872537 /nfs/dbraw/zinc/87/25/37/346872537.db2.gz PQUQPWNGMUGQDD-UHFFFAOYSA-N 1 1 290.363 3.130 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C3CCC3)C2)c(F)c1 ZINC000591061794 346897046 /nfs/dbraw/zinc/89/70/46/346897046.db2.gz IPSVSMOPVBFBFA-LBPRGKRZSA-N 1 1 278.327 3.356 20 5 CGBDMO CC[C@H]([NH2+]Cc1ccn(CC)n1)c1cccc([N+](=O)[O-])c1 ZINC000414216288 529633869 /nfs/dbraw/zinc/63/38/69/529633869.db2.gz ZKXCAPHABXEECZ-HNNXBMFYSA-N 1 1 288.351 3.052 20 5 CGBDMO C[C@@H]1CC2(C[N@H+]1Cc1csc([N+](=O)[O-])c1)CCOCC2 ZINC000592181477 346969401 /nfs/dbraw/zinc/96/94/01/346969401.db2.gz FEZYLZBGCNQPHU-LLVKDONJSA-N 1 1 296.392 3.047 20 5 CGBDMO CC1(CC(F)F)C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000592528062 346996333 /nfs/dbraw/zinc/99/63/33/346996333.db2.gz YXZAGGYGPXYHNM-UHFFFAOYSA-N 1 1 270.279 3.072 20 5 CGBDMO Cc1c(C[N@H+]2C[C@H](C)OCC23CCC3)cccc1[N+](=O)[O-] ZINC000593093583 347038173 /nfs/dbraw/zinc/03/81/73/347038173.db2.gz UUVKQLPXEJNYKF-LBPRGKRZSA-N 1 1 290.363 3.047 20 5 CGBDMO Cc1c(C[N@@H+]2C[C@H](C)OCC23CCC3)cccc1[N+](=O)[O-] ZINC000593093583 347038174 /nfs/dbraw/zinc/03/81/74/347038174.db2.gz UUVKQLPXEJNYKF-LBPRGKRZSA-N 1 1 290.363 3.047 20 5 CGBDMO CC(C)O[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000593055366 347033387 /nfs/dbraw/zinc/03/33/87/347033387.db2.gz KIVHCRCHZZUVND-INIZCTEOSA-N 1 1 292.379 3.027 20 5 CGBDMO C[N@@H+](CCNc1ccsc1[N+](=O)[O-])Cc1ccccc1 ZINC000063264902 345245012 /nfs/dbraw/zinc/24/50/12/345245012.db2.gz SRSCKBZUXJOELX-UHFFFAOYSA-N 1 1 291.376 3.200 20 5 CGBDMO C[N@@H+](CCNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000064916293 345266628 /nfs/dbraw/zinc/26/66/28/345266628.db2.gz XILNJARKIQABKL-UHFFFAOYSA-N 1 1 285.347 3.139 20 5 CGBDMO C[C@H]1CCCC[N@H+]1CCCCNc1ccc([N+](=O)[O-])nc1 ZINC000076795353 345550584 /nfs/dbraw/zinc/55/05/84/345550584.db2.gz IZTCFZXMXMJSHQ-ZDUSSCGKSA-N 1 1 292.383 3.056 20 5 CGBDMO Cc1cc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000092649388 345848876 /nfs/dbraw/zinc/84/88/76/345848876.db2.gz SBCIHOQMSTXMAU-LBPRGKRZSA-N 1 1 286.335 3.010 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1CNc1cc[nH+]cc1Cl ZINC000176831720 232346952 /nfs/dbraw/zinc/34/69/52/232346952.db2.gz FDFCCCFHTKPIOX-UHFFFAOYSA-N 1 1 293.710 3.264 20 5 CGBDMO C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000595414743 347300320 /nfs/dbraw/zinc/30/03/20/347300320.db2.gz LMQVNCNVWZQUOP-SNVBAGLBSA-N 1 1 287.319 3.311 20 5 CGBDMO CC[C@@H](C)[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000595598799 347323605 /nfs/dbraw/zinc/32/36/05/347323605.db2.gz GQDGIFLONINWQF-LLVKDONJSA-N 1 1 266.341 3.224 20 5 CGBDMO C[C@H]1CCCC[C@H]1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595425935 347301766 /nfs/dbraw/zinc/30/17/66/347301766.db2.gz VKRQNFQUROYHBB-STQMWFEESA-N 1 1 289.379 3.174 20 5 CGBDMO Cc1noc(C[N@H+](C)[C@H](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000595477157 347309647 /nfs/dbraw/zinc/30/96/47/347309647.db2.gz RDQGVLVDVOZZEB-LLVKDONJSA-N 1 1 281.356 3.292 20 5 CGBDMO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000595806031 347357277 /nfs/dbraw/zinc/35/72/77/347357277.db2.gz DMTSPOYYUXXPKL-ZDUSSCGKSA-N 1 1 290.363 3.128 20 5 CGBDMO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000595806031 347357280 /nfs/dbraw/zinc/35/72/80/347357280.db2.gz DMTSPOYYUXXPKL-ZDUSSCGKSA-N 1 1 290.363 3.128 20 5 CGBDMO Cc1cc(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000596306516 347413804 /nfs/dbraw/zinc/41/38/04/347413804.db2.gz FFVGSSLFHWAQAQ-NSHDSACASA-N 1 1 297.424 3.497 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000596309287 347414955 /nfs/dbraw/zinc/41/49/55/347414955.db2.gz XOBCWZOLCKNDOH-ZDUSSCGKSA-N 1 1 277.368 3.188 20 5 CGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000596570413 347480873 /nfs/dbraw/zinc/48/08/73/347480873.db2.gz KLGHVFSDYAPRFW-LBPRGKRZSA-N 1 1 295.408 3.190 20 5 CGBDMO COc1cccc2c1C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000599645482 347761736 /nfs/dbraw/zinc/76/17/36/347761736.db2.gz ORRBOSKJTWGPJZ-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO COc1cccc2c1C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000599645482 347761737 /nfs/dbraw/zinc/76/17/37/347761737.db2.gz ORRBOSKJTWGPJZ-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO Cc1cc(NC[C@H]2CC[N@H+]2C2CCCC2)c([N+](=O)[O-])s1 ZINC000599165760 347722616 /nfs/dbraw/zinc/72/26/16/347722616.db2.gz RZXCJOICOXKVJN-GFCCVEGCSA-N 1 1 295.408 3.394 20 5 CGBDMO CC[C@@H](C)[N@@H+](CCO)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000600167699 347788245 /nfs/dbraw/zinc/78/82/45/347788245.db2.gz AWRUFVIQCSZCKD-CYBMUJFWSA-N 1 1 294.395 3.311 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1Cn1c[nH+]c2c1CCCC2 ZINC000600179295 347789989 /nfs/dbraw/zinc/78/99/89/347789989.db2.gz MKATWQKMAGVHTF-UHFFFAOYSA-N 1 1 271.320 3.027 20 5 CGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000602767871 348025412 /nfs/dbraw/zinc/02/54/12/348025412.db2.gz ZACJYOHBPGCHTO-ZDUSSCGKSA-N 1 1 294.399 3.000 20 5 CGBDMO C[C@@H](F)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000351893955 219240678 /nfs/dbraw/zinc/24/06/78/219240678.db2.gz WAADOMUKAHLVJX-LLVKDONJSA-N 1 1 266.316 3.307 20 5 CGBDMO Cc1noc(C[N@H+](C)C[C@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC000603053402 348056338 /nfs/dbraw/zinc/05/63/38/348056338.db2.gz BJYSRASDLIYXJT-VIFPVBQESA-N 1 1 269.345 3.005 20 5 CGBDMO CC(C)OC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000609333949 348342005 /nfs/dbraw/zinc/34/20/05/348342005.db2.gz ZUSFTJVRJZQLPO-UHFFFAOYSA-N 1 1 296.342 3.123 20 5 CGBDMO C[N@H+]1Cc2ccccc2[C@@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000611414522 348449477 /nfs/dbraw/zinc/44/94/77/348449477.db2.gz FBXVYJKQYHMXFI-LBPRGKRZSA-N 1 1 289.360 3.255 20 5 CGBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000611414522 348449481 /nfs/dbraw/zinc/44/94/81/348449481.db2.gz FBXVYJKQYHMXFI-LBPRGKRZSA-N 1 1 289.360 3.255 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351977748 219272589 /nfs/dbraw/zinc/27/25/89/219272589.db2.gz KKQAECZYECBPMW-NSHDSACASA-N 1 1 266.341 3.224 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351978354 219273623 /nfs/dbraw/zinc/27/36/23/219273623.db2.gz RMQCVHBTGGZYNW-ZDUSSCGKSA-N 1 1 278.352 3.368 20 5 CGBDMO COCC[C@H]1CCCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000364162453 234025089 /nfs/dbraw/zinc/02/50/89/234025089.db2.gz XIZJHMUNAWZVKF-CQSZACIVSA-N 1 1 292.379 3.233 20 5 CGBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@H]4CCCC[C@H]43)nc2c1 ZINC000367995101 234266988 /nfs/dbraw/zinc/26/69/88/234266988.db2.gz LWBRHINUBBZDMZ-ZWNOBZJWSA-N 1 1 287.319 3.110 20 5 CGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@H]4CCCC[C@H]43)nc2c1 ZINC000367995101 234266991 /nfs/dbraw/zinc/26/69/91/234266991.db2.gz LWBRHINUBBZDMZ-ZWNOBZJWSA-N 1 1 287.319 3.110 20 5 CGBDMO C[C@@H](C1CC1)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000158032145 188353288 /nfs/dbraw/zinc/35/32/88/188353288.db2.gz QIKXXOINKKCFSH-PZBABLGHSA-N 1 1 260.337 3.338 20 5 CGBDMO C[C@@H]([NH2+][C@@H](C)c1cncs1)c1ccccc1[N+](=O)[O-] ZINC000271839713 191358676 /nfs/dbraw/zinc/35/86/76/191358676.db2.gz VSUNOCQFEDWRSD-ZJUUUORDSA-N 1 1 277.349 3.463 20 5 CGBDMO CC(C)[N@H+]1CCC[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000341935847 216159616 /nfs/dbraw/zinc/15/96/16/216159616.db2.gz SGSYCKSIWNZTKJ-LBPRGKRZSA-N 1 1 295.358 3.266 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000301518793 201042998 /nfs/dbraw/zinc/04/29/98/201042998.db2.gz KNOBERLQJCBSRD-GFCCVEGCSA-N 1 1 277.368 3.047 20 5 CGBDMO Cc1ncsc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183328192 189355007 /nfs/dbraw/zinc/35/50/07/189355007.db2.gz GYKPRJOUGCLJMN-UHFFFAOYSA-N 1 1 291.376 3.300 20 5 CGBDMO Cc1ncsc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183328192 189355008 /nfs/dbraw/zinc/35/50/08/189355008.db2.gz GYKPRJOUGCLJMN-UHFFFAOYSA-N 1 1 291.376 3.300 20 5 CGBDMO CC(C)C[N@H+]1CCC[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000301787799 201197038 /nfs/dbraw/zinc/19/70/38/201197038.db2.gz PONFNDPJBCUQIK-AWEZNQCLSA-N 1 1 291.395 3.375 20 5 CGBDMO CCO[C@@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451533329 240320122 /nfs/dbraw/zinc/32/01/22/240320122.db2.gz WIYBPUNLUQQWSK-HEHGZKQESA-N 1 1 292.379 3.403 20 5 CGBDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000481390583 243190404 /nfs/dbraw/zinc/19/04/04/243190404.db2.gz ZCSFMZKYYSYYFS-MFKMUULPSA-N 1 1 296.342 3.363 20 5 CGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000028386986 368885061 /nfs/dbraw/zinc/88/50/61/368885061.db2.gz LTCOWAVCGMSOPV-UHFFFAOYSA-N 1 1 270.332 3.269 20 5 CGBDMO CCC[C@@H]([NH2+][C@H](C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553719 369409646 /nfs/dbraw/zinc/40/96/46/369409646.db2.gz IILYKMLIQFPNSO-CZUORRHYSA-N 1 1 293.411 3.366 20 5 CGBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C(C1CC1)C1CC1 ZINC000050988698 369446332 /nfs/dbraw/zinc/44/63/32/369446332.db2.gz POABMLZLBFRGTB-UHFFFAOYSA-N 1 1 266.366 3.277 20 5 CGBDMO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000080267047 369985778 /nfs/dbraw/zinc/98/57/78/369985778.db2.gz KOKRKSDMBCRNMI-UWVGGRQHSA-N 1 1 277.349 3.463 20 5 CGBDMO CC[C@@H](CSC)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000091098063 370071800 /nfs/dbraw/zinc/07/18/00/370071800.db2.gz UUAKSVWZSBEDFW-ZDUSSCGKSA-N 1 1 282.409 3.211 20 5 CGBDMO COc1ccc(C[N@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000112702414 370443786 /nfs/dbraw/zinc/44/37/86/370443786.db2.gz HYBOYRKMGYKHSH-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000130505516 371039637 /nfs/dbraw/zinc/03/96/37/371039637.db2.gz OSCXCSPUSTYQQV-DIECRNLCSA-N 1 1 278.377 3.045 20 5 CGBDMO CSCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135232316 371404774 /nfs/dbraw/zinc/40/47/74/371404774.db2.gz GCRGEXDAQJYYGT-UHFFFAOYSA-N 1 1 280.393 3.312 20 5 CGBDMO CC[C@]1(C)C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000135617719 371439946 /nfs/dbraw/zinc/43/99/46/371439946.db2.gz WLCAPXMYWDMSIJ-SWLSCSKDSA-N 1 1 278.352 3.157 20 5 CGBDMO CC[C@]1(C)C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000135617719 371439953 /nfs/dbraw/zinc/43/99/53/371439953.db2.gz WLCAPXMYWDMSIJ-SWLSCSKDSA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1c(C[N@H+]2CCC(F)(F)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000289949529 371859777 /nfs/dbraw/zinc/85/97/77/371859777.db2.gz VYUYVHRZQLYPHR-SNVBAGLBSA-N 1 1 284.306 3.380 20 5 CGBDMO Cc1ccc(C[N@H+]2CCC[C@]2(C)CCCO)cc1[N+](=O)[O-] ZINC000290300078 371958749 /nfs/dbraw/zinc/95/87/49/371958749.db2.gz BDTAARRDWKRIDK-MRXNPFEDSA-N 1 1 292.379 3.030 20 5 CGBDMO COCC(C)(C)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000426077243 372149801 /nfs/dbraw/zinc/14/98/01/372149801.db2.gz KTVAOKAGACQRAI-UHFFFAOYSA-N 1 1 292.379 3.232 20 5 CGBDMO CC[C@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000429276595 372333563 /nfs/dbraw/zinc/33/35/63/372333563.db2.gz FFHKGEROJZWWBH-JTQLQIEISA-N 1 1 254.717 3.233 20 5 CGBDMO CC[C@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000429276595 372333567 /nfs/dbraw/zinc/33/35/67/372333567.db2.gz FFHKGEROJZWWBH-JTQLQIEISA-N 1 1 254.717 3.233 20 5 CGBDMO COC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174860889 373373742 /nfs/dbraw/zinc/37/37/42/373373742.db2.gz WSJJLKOZUBGCMF-NSHDSACASA-N 1 1 298.770 3.107 20 5 CGBDMO CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000353612791 220190191 /nfs/dbraw/zinc/19/01/91/220190191.db2.gz KVXCYWKQMAWOEH-UHFFFAOYSA-N 1 1 299.374 3.163 20 5 CGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccccc1[N+](=O)[O-] ZINC000301069964 373648250 /nfs/dbraw/zinc/64/82/50/373648250.db2.gz FLCNWHLIDGERPD-CHWSQXEVSA-N 1 1 277.368 3.127 20 5 CGBDMO CCCC[N@H+]1CCCC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000301113751 373664938 /nfs/dbraw/zinc/66/49/38/373664938.db2.gz KIUGFHFIUJOWLD-ZDUSSCGKSA-N 1 1 292.383 3.056 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000301277338 373724964 /nfs/dbraw/zinc/72/49/64/373724964.db2.gz PAAAHQYVXAQSEQ-GFCCVEGCSA-N 1 1 295.358 3.410 20 5 CGBDMO CS[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449447004 373726574 /nfs/dbraw/zinc/72/65/74/373726574.db2.gz VQCVIWCFMWSNMN-AGLBCWCQSA-N 1 1 278.377 3.045 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1(C)C ZINC000449495911 373792129 /nfs/dbraw/zinc/79/21/29/373792129.db2.gz FLNDBIFLMABRQX-OAHLLOKOSA-N 1 1 292.379 3.150 20 5 CGBDMO C[N@@H+](CCc1cccs1)Cc1ccc([N+](=O)[O-])cc1F ZINC000313278484 374300942 /nfs/dbraw/zinc/30/09/42/374300942.db2.gz CISZQUUIQRRWIP-UHFFFAOYSA-N 1 1 294.351 3.470 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H]1CCCO1 ZINC000470174506 374995772 /nfs/dbraw/zinc/99/57/72/374995772.db2.gz LKZDDLRNJAZMIJ-LRFDDAOPSA-N 1 1 290.363 3.109 20 5 CGBDMO C[C@H](CNc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000195666912 376117156 /nfs/dbraw/zinc/11/71/56/376117156.db2.gz WFPBEVPQSHDGCR-CHWSQXEVSA-N 1 1 277.368 3.127 20 5 CGBDMO CCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541074971 376421276 /nfs/dbraw/zinc/42/12/76/376421276.db2.gz YGFZWVJVOUGVPV-UHFFFAOYSA-N 1 1 256.733 3.480 20 5 CGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CC=CCC1 ZINC000541323684 376437419 /nfs/dbraw/zinc/43/74/19/376437419.db2.gz FMZWAYOJAZVWQY-CQSZACIVSA-N 1 1 290.363 3.262 20 5 CGBDMO CCc1cnc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000230706384 376539174 /nfs/dbraw/zinc/53/91/74/376539174.db2.gz ALGUSUUHOXHHJV-UHFFFAOYSA-N 1 1 291.376 3.212 20 5 CGBDMO CC/C=C\CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000545223475 376800392 /nfs/dbraw/zinc/80/03/92/376800392.db2.gz FTQGAQUQFSTTAX-ARJAWSKDSA-N 1 1 260.337 3.309 20 5 CGBDMO CCOC[C@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246097899 376966582 /nfs/dbraw/zinc/96/65/82/376966582.db2.gz AOIDFZKLCYGJNE-OLZOCXBDSA-N 1 1 278.352 3.014 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000247702720 377236310 /nfs/dbraw/zinc/23/63/10/377236310.db2.gz YFBODCKEOBNTQX-GXTWGEPZSA-N 1 1 260.337 3.359 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000573718931 377566527 /nfs/dbraw/zinc/56/65/27/377566527.db2.gz KYKYXSRTJRFSPT-QWHCGFSZSA-N 1 1 290.363 3.299 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000573718931 377566534 /nfs/dbraw/zinc/56/65/34/377566534.db2.gz KYKYXSRTJRFSPT-QWHCGFSZSA-N 1 1 290.363 3.299 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000574080156 377616279 /nfs/dbraw/zinc/61/62/79/377616279.db2.gz QRNYJQRXOXFBNG-QWHCGFSZSA-N 1 1 290.363 3.299 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000574080156 377616293 /nfs/dbraw/zinc/61/62/93/377616293.db2.gz QRNYJQRXOXFBNG-QWHCGFSZSA-N 1 1 290.363 3.299 20 5 CGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1cccc(OC)c1[N+](=O)[O-] ZINC000578944815 378116023 /nfs/dbraw/zinc/11/60/23/378116023.db2.gz XRJXKISMJQCQSM-GFCCVEGCSA-N 1 1 295.383 3.136 20 5 CGBDMO CC[C@]1(CO)CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000275150411 378945031 /nfs/dbraw/zinc/94/50/31/378945031.db2.gz PIUSKYGPPIMGKL-CJNGLKHVSA-N 1 1 292.379 3.140 20 5 CGBDMO CCc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000348674565 379014674 /nfs/dbraw/zinc/01/46/74/379014674.db2.gz OTXDPYJWDAHEKC-UHFFFAOYSA-N 1 1 299.374 3.227 20 5 CGBDMO C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1ccccc1[N+](=O)[O-] ZINC000349313991 379226832 /nfs/dbraw/zinc/22/68/32/379226832.db2.gz PVYTWIADWMPVSQ-MFKMUULPSA-N 1 1 292.360 3.041 20 5 CGBDMO CCOC[C@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266538111 190265258 /nfs/dbraw/zinc/26/52/58/190265258.db2.gz OVVIAUKXPJPKSI-KGLIPLIRSA-N 1 1 292.379 3.404 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000349964980 379461658 /nfs/dbraw/zinc/46/16/58/379461658.db2.gz FFFWYNAFHNHLKB-CQSZACIVSA-N 1 1 260.337 3.135 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCOC(C)(C)C1 ZINC000377700928 379724569 /nfs/dbraw/zinc/72/45/69/379724569.db2.gz JZILPJAVWVKZFV-GFCCVEGCSA-N 1 1 278.352 3.157 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1CC ZINC000352649611 379890433 /nfs/dbraw/zinc/89/04/33/379890433.db2.gz MAMBHJWSQAEZHJ-ZDUSSCGKSA-N 1 1 278.352 3.368 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccsc1 ZINC000282987153 380020100 /nfs/dbraw/zinc/02/01/00/380020100.db2.gz JSRJCDVHSFGBQN-UHFFFAOYSA-N 1 1 276.361 3.331 20 5 CGBDMO CO[C@@H](C)C[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000354439298 380439162 /nfs/dbraw/zinc/43/91/62/380439162.db2.gz BOEBYJQUCBPFPG-LBPRGKRZSA-N 1 1 280.368 3.149 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000355132229 380591327 /nfs/dbraw/zinc/59/13/27/380591327.db2.gz JDVFKLLUDRKSOM-RYUDHWBXSA-N 1 1 278.352 3.224 20 5 CGBDMO CO[C@@]1(C)CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000355196128 380618769 /nfs/dbraw/zinc/61/87/69/380618769.db2.gz HPTDHONSAYEASS-SBSDFTTDSA-N 1 1 290.363 3.109 20 5 CGBDMO C[C@@]1(F)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000355352357 380653576 /nfs/dbraw/zinc/65/35/76/380653576.db2.gz HJJNYIOIQKANOL-YVARQFDVSA-N 1 1 264.300 3.042 20 5 CGBDMO C[C@@]1(F)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000355352357 380653582 /nfs/dbraw/zinc/65/35/82/380653582.db2.gz HJJNYIOIQKANOL-YVARQFDVSA-N 1 1 264.300 3.042 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000357551366 381205038 /nfs/dbraw/zinc/20/50/38/381205038.db2.gz HZMWPAOSXHOZJS-GXSJLCMTSA-N 1 1 254.355 3.419 20 5 CGBDMO CC(C)[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361421820 381742066 /nfs/dbraw/zinc/74/20/66/381742066.db2.gz WRDJEQBOOMOBIO-CYBMUJFWSA-N 1 1 298.770 3.248 20 5 CGBDMO COc1cc(C[N@@H+](CC2CC2)C2CCC2)ccc1[N+](=O)[O-] ZINC000361581893 381817978 /nfs/dbraw/zinc/81/79/78/381817978.db2.gz HSCDXXBPZAYKKI-UHFFFAOYSA-N 1 1 290.363 3.368 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3ccncc3)C2)cc1 ZINC000289302730 197290276 /nfs/dbraw/zinc/29/02/76/197290276.db2.gz IKVBOYMGPVRKIJ-MRXNPFEDSA-N 1 1 297.358 3.369 20 5 CGBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000281199575 195146186 /nfs/dbraw/zinc/14/61/86/195146186.db2.gz JAALWUYOFUYTHS-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000281199575 195146188 /nfs/dbraw/zinc/14/61/88/195146188.db2.gz JAALWUYOFUYTHS-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000281770365 195374511 /nfs/dbraw/zinc/37/45/11/195374511.db2.gz SITDMSZVNWRAMZ-ZWNOBZJWSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000281770365 195374513 /nfs/dbraw/zinc/37/45/13/195374513.db2.gz SITDMSZVNWRAMZ-ZWNOBZJWSA-N 1 1 298.770 3.248 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CC[C@@H]2CCCO2)C2CC2)cc1 ZINC000189791762 130023720 /nfs/dbraw/zinc/02/37/20/130023720.db2.gz HJMHAKPISRIRHA-INIZCTEOSA-N 1 1 290.363 3.128 20 5 CGBDMO COC[C@H]1CCCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000372103764 392583224 /nfs/dbraw/zinc/58/32/24/392583224.db2.gz UMGRQCVCXKTDNU-AWEZNQCLSA-N 1 1 292.379 3.152 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000346962529 393098356 /nfs/dbraw/zinc/09/83/56/393098356.db2.gz GPRQKZGSXYXTMP-QGZVFWFLSA-N 1 1 297.358 3.369 20 5 CGBDMO CC(C)C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000466708269 393049657 /nfs/dbraw/zinc/04/96/57/393049657.db2.gz QHWIUUBXUQHURR-CQSZACIVSA-N 1 1 292.379 3.342 20 5 CGBDMO CC(C)C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000466708268 393049902 /nfs/dbraw/zinc/04/99/02/393049902.db2.gz QHWIUUBXUQHURR-AWEZNQCLSA-N 1 1 292.379 3.342 20 5 CGBDMO CO[C@@H]1CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470175659 393229671 /nfs/dbraw/zinc/22/96/71/393229671.db2.gz RFNCQDXOLLYCGX-LRFDDAOPSA-N 1 1 290.363 3.109 20 5 CGBDMO COCC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000470179087 393231458 /nfs/dbraw/zinc/23/14/58/393231458.db2.gz SAGMGGZPYOFRPL-JLHYYAGUSA-N 1 1 290.363 3.109 20 5 CGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1(C)CCCC1 ZINC000490198298 393635381 /nfs/dbraw/zinc/63/53/81/393635381.db2.gz COJGWPNHIOCEHH-UHFFFAOYSA-N 1 1 278.352 3.238 20 5 CGBDMO CCOc1cc(C[N@H+]2CC[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000492580596 393757567 /nfs/dbraw/zinc/75/75/67/393757567.db2.gz FOQJVJPIKWUOBV-AWEZNQCLSA-N 1 1 290.363 3.225 20 5 CGBDMO Cc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])nc1 ZINC000492333494 393720198 /nfs/dbraw/zinc/72/01/98/393720198.db2.gz LCWDKCGTJSYOAS-UHFFFAOYSA-N 1 1 285.347 3.323 20 5 CGBDMO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453378714 394226455 /nfs/dbraw/zinc/22/64/55/394226455.db2.gz ZOBVIQWKNKAVQL-VXGBXAGGSA-N 1 1 288.351 3.223 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000048068910 165026767 /nfs/dbraw/zinc/02/67/67/165026767.db2.gz AVJMODXLWUOFDA-UHFFFAOYSA-N 1 1 278.258 3.163 20 5 CGBDMO COc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1F ZINC000048068862 165026792 /nfs/dbraw/zinc/02/67/92/165026792.db2.gz YUIPWPWGNNYLQO-UHFFFAOYSA-N 1 1 290.294 3.032 20 5 CGBDMO C[C@H](c1ccco1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000069066380 165049414 /nfs/dbraw/zinc/04/94/14/165049414.db2.gz AALVLAIUESAIRQ-GFCCVEGCSA-N 1 1 290.319 3.260 20 5 CGBDMO CC(C)n1cc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000089512687 165207040 /nfs/dbraw/zinc/20/70/40/165207040.db2.gz CPDKCEUGRLABPY-LBPRGKRZSA-N 1 1 288.351 3.223 20 5 CGBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000119036275 287164078 /nfs/dbraw/zinc/16/40/78/287164078.db2.gz MYJRGYFFZWNFEQ-LLVKDONJSA-N 1 1 298.770 3.107 20 5 CGBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000119036275 287164081 /nfs/dbraw/zinc/16/40/81/287164081.db2.gz MYJRGYFFZWNFEQ-LLVKDONJSA-N 1 1 298.770 3.107 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284859728 196146182 /nfs/dbraw/zinc/14/61/82/196146182.db2.gz DCNMLJZFQGSBEG-CVEARBPZSA-N 1 1 290.363 3.047 20 5 CGBDMO C[C@H](NC[C@H](C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000038028720 174017704 /nfs/dbraw/zinc/01/77/04/174017704.db2.gz PTSWCXWVMDIQSX-KBPBESRZSA-N 1 1 291.395 3.120 20 5 CGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000179796921 260070040 /nfs/dbraw/zinc/07/00/40/260070040.db2.gz LKIPNHBSYHKLCC-SOFGYWHQSA-N 1 1 260.337 3.482 20 5 CGBDMO CCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000180096991 260092660 /nfs/dbraw/zinc/09/26/60/260092660.db2.gz VFUNZRGRCKKOFE-FNORWQNLSA-N 1 1 260.337 3.482 20 5 CGBDMO CC(C)(C)[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000525275363 270118759 /nfs/dbraw/zinc/11/87/59/270118759.db2.gz XVWJTYBUETVAIV-HNNXBMFYSA-N 1 1 292.379 3.484 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C)on1 ZINC000530326230 270198999 /nfs/dbraw/zinc/19/89/99/270198999.db2.gz HPUNYKYADJOHSL-IZZDOVSWSA-N 1 1 287.319 3.084 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250789385 275039418 /nfs/dbraw/zinc/03/94/18/275039418.db2.gz PLBWQIMOZGRPQR-QWRGUYRKSA-N 1 1 295.770 3.287 20 5 CGBDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000419372320 279099230 /nfs/dbraw/zinc/09/92/30/279099230.db2.gz MDEXZBBEFSAEQE-MXWKQRLJSA-N 1 1 266.316 3.210 20 5 CGBDMO C[C@H](C1CC1)[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000042123170 279242281 /nfs/dbraw/zinc/24/22/81/279242281.db2.gz SYIKWVIAIXLJCH-LLVKDONJSA-N 1 1 260.337 3.358 20 5 CGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464690442 281227178 /nfs/dbraw/zinc/22/71/78/281227178.db2.gz QTNXUSCBGOZMBT-PWSUYJOCSA-N 1 1 296.342 3.363 20 5 CGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000573160529 322373299 /nfs/dbraw/zinc/37/32/99/322373299.db2.gz KSQRONVSMPFWQJ-NSHDSACASA-N 1 1 283.347 3.266 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000425511387 533819750 /nfs/dbraw/zinc/81/97/50/533819750.db2.gz CSIDRCFDYYWVRT-VXGBXAGGSA-N 1 1 278.352 3.224 20 5 CGBDMO CC1(C)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774812 520336692 /nfs/dbraw/zinc/33/66/92/520336692.db2.gz WWSHOIAJRLEZKQ-UHFFFAOYSA-N 1 1 252.289 3.108 20 5 CGBDMO Cc1c(C[NH2+]Cc2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000111405697 525726138 /nfs/dbraw/zinc/72/61/38/525726138.db2.gz VTVPJSCNNIXFMV-UHFFFAOYSA-N 1 1 292.285 3.471 20 5 CGBDMO CC(C)c1ccc(C[N@@H+](C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000128059075 528092451 /nfs/dbraw/zinc/09/24/51/528092451.db2.gz CDRNQQDRCQEKLV-AWEZNQCLSA-N 1 1 292.379 3.329 20 5 CGBDMO CC[N@H+]1CCC[C@@H](CNc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000359909424 529051308 /nfs/dbraw/zinc/05/13/08/529051308.db2.gz IHYMEVMYXZMYEV-LBPRGKRZSA-N 1 1 295.358 3.186 20 5 CGBDMO CC[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000173315574 529370470 /nfs/dbraw/zinc/37/04/70/529370470.db2.gz XURDPHQZOLBEFL-UKRRQHHQSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[C@H](C)[C@H]1CCCC[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000738055009 572364585 /nfs/dbraw/zinc/36/45/85/572364585.db2.gz LUFVIRUHRHEIQD-SMDDNHRTSA-N 1 1 294.399 3.266 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000730807100 572377070 /nfs/dbraw/zinc/37/70/70/572377070.db2.gz YQFJZYVRVCZJGZ-TXEJJXNPSA-N 1 1 295.358 3.409 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC2(CCCC2)C1 ZINC000743864016 572409483 /nfs/dbraw/zinc/40/94/83/572409483.db2.gz RZNCKISBCMLVCO-UHFFFAOYSA-N 1 1 290.363 3.370 20 5 CGBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000745948100 572841049 /nfs/dbraw/zinc/84/10/49/572841049.db2.gz BKLUEQNJXIKMDG-GWCFXTLKSA-N 1 1 266.316 3.354 20 5 CGBDMO CCC1(CC)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750094049 573083509 /nfs/dbraw/zinc/08/35/09/573083509.db2.gz MYJLSLXQAPQLJW-HNNXBMFYSA-N 1 1 292.379 3.140 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCSC[C@H]2C2CC2)c1 ZINC000933916521 618378059 /nfs/dbraw/zinc/37/80/59/618378059.db2.gz SBKLLCTXHMMVKN-HNNXBMFYSA-N 1 1 292.404 3.312 20 5 CGBDMO CC[C@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000312178647 619041583 /nfs/dbraw/zinc/04/15/83/619041583.db2.gz JSDSWASQTZWSEQ-LBPRGKRZSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000312178647 619041585 /nfs/dbraw/zinc/04/15/85/619041585.db2.gz JSDSWASQTZWSEQ-LBPRGKRZSA-N 1 1 298.770 3.249 20 5 CGBDMO C[N@@H+](CCCF)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000895895600 619905095 /nfs/dbraw/zinc/90/50/95/619905095.db2.gz AOIJAHNGBHFLMY-UHFFFAOYSA-N 1 1 294.248 3.405 20 5 CGBDMO CO[C@@H]1CC[C@H](C)[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000895944691 619914250 /nfs/dbraw/zinc/91/42/50/619914250.db2.gz GNOAYYJWJKUBGP-HIINFBLBSA-N 1 1 290.363 3.107 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000761050400 627011477 /nfs/dbraw/zinc/01/14/77/627011477.db2.gz JQLMCYHABKVCGX-LLVKDONJSA-N 1 1 288.269 3.287 20 5 CGBDMO CC(C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761506033 627046781 /nfs/dbraw/zinc/04/67/81/627046781.db2.gz MTLLYDICZUCSDP-UHFFFAOYSA-N 1 1 256.733 3.336 20 5 CGBDMO Cc1ccc(C[NH2+]Cc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000776254362 628185415 /nfs/dbraw/zinc/18/54/15/628185415.db2.gz CPRHRLISMBGXER-UHFFFAOYSA-N 1 1 291.738 3.241 20 5 CGBDMO CCC(CC)C[N@@H+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279569 628188356 /nfs/dbraw/zinc/18/83/56/628188356.db2.gz YIMLDPWJCLOMPA-MRXNPFEDSA-N 1 1 294.395 3.386 20 5 CGBDMO CC[N@@H+](CC1CCC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000794681385 629565788 /nfs/dbraw/zinc/56/57/88/629565788.db2.gz CEQALWZCUCXZGL-UHFFFAOYSA-N 1 1 288.351 3.024 20 5 CGBDMO Cc1cc(Cl)nc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000800285685 630261619 /nfs/dbraw/zinc/26/16/19/630261619.db2.gz OXQOBVGXHJKAJF-UHFFFAOYSA-N 1 1 291.738 3.241 20 5 CGBDMO CCOc1cc(CO[NH+]=C(N)CC(C)C)ccc1[N+](=O)[O-] ZINC000809995192 630825399 /nfs/dbraw/zinc/82/53/99/630825399.db2.gz NHELLCCYZSAAQI-UHFFFAOYSA-N 1 1 295.339 3.038 20 5 CGBDMO Cc1cc[nH+]c(N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815600650 631804658 /nfs/dbraw/zinc/80/46/58/631804658.db2.gz AADIYMSOPMPBIM-JTQLQIEISA-N 1 1 272.308 3.054 20 5 CGBDMO NC(=[NH+]OCc1ccc(Cl)c([N+](=O)[O-])c1)C1CCC1 ZINC000871766256 633858512 /nfs/dbraw/zinc/85/85/12/633858512.db2.gz JSEASYJJRZZDHF-UHFFFAOYSA-N 1 1 283.715 3.047 20 5 CGBDMO Cc1ncsc1C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872033773 633953473 /nfs/dbraw/zinc/95/34/73/633953473.db2.gz JIJMJIAPOPPDCT-SECBINFHSA-N 1 1 295.339 3.350 20 5 CGBDMO CC[C@H]1C[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CCCO1 ZINC000877502123 635063584 /nfs/dbraw/zinc/06/35/84/635063584.db2.gz YWDYPMUKHMNQET-AWEZNQCLSA-N 1 1 292.379 3.213 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000877604004 635107736 /nfs/dbraw/zinc/10/77/36/635107736.db2.gz VOUWAILKXFIELN-CQSZACIVSA-N 1 1 292.379 3.211 20 5 CGBDMO Cc1[nH+]ccn1CCCOc1cccc(Cl)c1[N+](=O)[O-] ZINC000842061720 635271286 /nfs/dbraw/zinc/27/12/86/635271286.db2.gz OQNCZTADNJTZBO-UHFFFAOYSA-N 1 1 295.726 3.222 20 5 CGBDMO CC1(F)CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000879382589 635774057 /nfs/dbraw/zinc/77/40/57/635774057.db2.gz KLDSEUMQRQIZJK-UHFFFAOYSA-N 1 1 270.279 3.058 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)cs1 ZINC000844440313 635902126 /nfs/dbraw/zinc/90/21/26/635902126.db2.gz TWELDMNPWOGIHC-NSHDSACASA-N 1 1 288.319 3.278 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)cs1 ZINC000844440313 635902130 /nfs/dbraw/zinc/90/21/30/635902130.db2.gz TWELDMNPWOGIHC-NSHDSACASA-N 1 1 288.319 3.278 20 5 CGBDMO CC[C@H]([NH2+]Cc1cnoc1C)c1cccc([N+](=O)[O-])c1 ZINC000129944011 636400311 /nfs/dbraw/zinc/40/03/11/636400311.db2.gz XJSUECQKRVSMBH-AWEZNQCLSA-N 1 1 275.308 3.132 20 5 CGBDMO CCC[C@H](C)[C@H]1CCC[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000130729047 636504692 /nfs/dbraw/zinc/50/46/92/636504692.db2.gz QXHQDOIMBOBYPC-SMDDNHRTSA-N 1 1 294.399 3.266 20 5 CGBDMO CCS[C@H]1CCCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886006878 637356390 /nfs/dbraw/zinc/35/63/90/637356390.db2.gz YCBSYFHTFWBXMZ-ZDUSSCGKSA-N 1 1 295.408 3.097 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000886011358 637360369 /nfs/dbraw/zinc/36/03/69/637360369.db2.gz ZKSCUOMEAZXEQZ-INIZCTEOSA-N 1 1 287.363 3.312 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000886123264 637424656 /nfs/dbraw/zinc/42/46/56/637424656.db2.gz VOQILBSZPQSXSE-KWCYVHTRSA-N 1 1 275.352 3.000 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000886249353 637470876 /nfs/dbraw/zinc/47/08/76/637470876.db2.gz IQVNADXIRAMUOB-ZDUSSCGKSA-N 1 1 275.352 3.002 20 5 CGBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852702520 637698273 /nfs/dbraw/zinc/69/82/73/637698273.db2.gz ZETWSHUBYUSXOI-FTNCPSPGSA-N 1 1 278.327 3.497 20 5 CGBDMO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC[N+](=O)[O-] ZINC000929382688 638922851 /nfs/dbraw/zinc/92/28/51/638922851.db2.gz GZKVWYDWLYAVBT-MRVPVSSYSA-N 1 1 277.151 3.263 20 5 CGBDMO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC[N+](=O)[O-] ZINC000929382688 638922849 /nfs/dbraw/zinc/92/28/49/638922849.db2.gz GZKVWYDWLYAVBT-MRVPVSSYSA-N 1 1 277.151 3.263 20 5 CGBDMO CC[C@@H](c1ccccc1)[N@@H+](CC[N+](=O)[O-])C(C)C ZINC000931064062 639106113 /nfs/dbraw/zinc/10/61/13/639106113.db2.gz LFOSJOUSTYQZAR-AWEZNQCLSA-N 1 1 250.342 3.125 20 5 CGBDMO CC(C)(C)OC[C@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000932162299 639279732 /nfs/dbraw/zinc/27/97/32/639279732.db2.gz BONOPFAYWWSRHA-GFCCVEGCSA-N 1 1 298.408 3.436 20 5 CGBDMO CC(C)(C)OC[C@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000932162299 639279738 /nfs/dbraw/zinc/27/97/38/639279738.db2.gz BONOPFAYWWSRHA-GFCCVEGCSA-N 1 1 298.408 3.436 20 5 CGBDMO CC(C)(C)OC[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000932168607 639284249 /nfs/dbraw/zinc/28/42/49/639284249.db2.gz PTBDXWQFCSSPSB-AWEZNQCLSA-N 1 1 292.379 3.374 20 5 CGBDMO C[C@@]1(Cc2ccc(Cl)s2)CCC[N@H+]1CC[N+](=O)[O-] ZINC000932920655 639399309 /nfs/dbraw/zinc/39/93/09/639399309.db2.gz WABCFRFXTWMPQF-LBPRGKRZSA-N 1 1 288.800 3.075 20 5 CGBDMO C[C@@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1CC[N+](=O)[O-] ZINC000932920655 639399304 /nfs/dbraw/zinc/39/93/04/639399304.db2.gz WABCFRFXTWMPQF-LBPRGKRZSA-N 1 1 288.800 3.075 20 5 CGBDMO C[C@H]1CSCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000934304633 639578082 /nfs/dbraw/zinc/57/80/82/639578082.db2.gz VNDRSWIIHYGYMM-JTQLQIEISA-N 1 1 284.356 3.061 20 5 CGBDMO C[C@H]1CSCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000934304633 639578091 /nfs/dbraw/zinc/57/80/91/639578091.db2.gz VNDRSWIIHYGYMM-JTQLQIEISA-N 1 1 284.356 3.061 20 5 CGBDMO CC1(C)CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000094801045 640803855 /nfs/dbraw/zinc/80/38/55/640803855.db2.gz IZFMBYRODZVYRQ-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO CC1(C)CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000094801045 640803858 /nfs/dbraw/zinc/80/38/58/640803858.db2.gz IZFMBYRODZVYRQ-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO CC(C)O[C@H]1CC[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254565355 806451740 /nfs/dbraw/zinc/45/17/40/806451740.db2.gz OPRNKJMWVKGKRU-HIFRSBDPSA-N 1 1 292.379 3.025 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC3(CCCC3)C1)C2 ZINC001254601236 806458383 /nfs/dbraw/zinc/45/83/83/806458383.db2.gz WLWRYSSLQWHIPQ-INIZCTEOSA-N 1 1 286.375 3.328 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)c(C(F)F)c1 ZINC000111290753 798983874 /nfs/dbraw/zinc/98/38/74/798983874.db2.gz PIJQEXMPJPWPCP-SECBINFHSA-N 1 1 297.305 3.181 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC23CCCC3)cc1F ZINC000707130265 799973331 /nfs/dbraw/zinc/97/33/31/799973331.db2.gz FPPMQMCOXOWZEJ-UHFFFAOYSA-N 1 1 264.300 3.252 20 5 CGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1(C)CC1 ZINC000710453170 800034648 /nfs/dbraw/zinc/03/46/48/800034648.db2.gz AKAMUAZTLBICBL-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO C[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169024373 807554548 /nfs/dbraw/zinc/55/45/48/807554548.db2.gz GUMXMFVERYLCAD-TZMCWYRMSA-N 1 1 282.771 3.217 20 5 CGBDMO C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC001169021963 807554697 /nfs/dbraw/zinc/55/46/97/807554697.db2.gz BMDUWLKKOVESIA-BWAJOPIQSA-N 1 1 292.423 3.332 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC001169035813 807555454 /nfs/dbraw/zinc/55/54/54/807555454.db2.gz CKOCEYLEQIHKCX-WCQYABFASA-N 1 1 294.782 3.144 20 5 CGBDMO CC(C)c1nc(C[N@@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cs1 ZINC001169040235 807557901 /nfs/dbraw/zinc/55/79/01/807557901.db2.gz YYYJRKDTPIPSOC-WCQYABFASA-N 1 1 297.424 3.144 20 5 CGBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1C ZINC001169285467 807623559 /nfs/dbraw/zinc/62/35/59/807623559.db2.gz WIUVABYCHIBBIH-GXTWGEPZSA-N 1 1 294.399 3.000 20 5 CGBDMO COc1ccc(C[C@H](C)[N@@H+](C)CC(C)C)c([N+](=O)[O-])c1 ZINC001170329607 807826125 /nfs/dbraw/zinc/82/61/25/807826125.db2.gz SHKKLNFPDSEAJG-LBPRGKRZSA-N 1 1 280.368 3.122 20 5 CGBDMO CCCCOC1C[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173227074 808541684 /nfs/dbraw/zinc/54/16/84/808541684.db2.gz NNGQASFJJOMXJT-ZDUSSCGKSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001173232294 808542775 /nfs/dbraw/zinc/54/27/75/808542775.db2.gz DRCWQJHKGGBPAH-CORIIIEPSA-N 1 1 260.337 3.010 20 5 CGBDMO CO[C@H]1CCC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173232461 808542796 /nfs/dbraw/zinc/54/27/96/808542796.db2.gz GVBHFNVABYTPIB-CJNGLKHVSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001173232366 808542825 /nfs/dbraw/zinc/54/28/25/808542825.db2.gz FRWGPWMDHNLXMC-TUKIKUTGSA-N 1 1 274.364 3.114 20 5 CGBDMO C[C@@H]1CN(c2ccsc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001187625011 810410054 /nfs/dbraw/zinc/41/00/54/810410054.db2.gz MPAGRKKLGNHWME-LLVKDONJSA-N 1 1 295.408 3.109 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](C3CCC3)C2)c(F)c1 ZINC001195148057 811215786 /nfs/dbraw/zinc/21/57/86/811215786.db2.gz RKLREJOYIUEOFZ-NSHDSACASA-N 1 1 296.317 3.495 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](C3CCC3)C2)c(F)c1 ZINC001195148057 811215792 /nfs/dbraw/zinc/21/57/92/811215792.db2.gz RKLREJOYIUEOFZ-NSHDSACASA-N 1 1 296.317 3.495 20 5 CGBDMO COc1cc(Nc2ccc(F)c([N+](=O)[O-])c2)[nH+]cc1C ZINC001211192842 814845333 /nfs/dbraw/zinc/84/53/33/814845333.db2.gz QDRKDBMYTZAXLC-UHFFFAOYSA-N 1 1 277.255 3.190 20 5 CGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC001225710167 817152559 /nfs/dbraw/zinc/15/25/59/817152559.db2.gz HPUJGQVZXWCZFR-GDNZZTSVSA-N 1 1 296.754 3.252 20 5 CGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001225713585 817153490 /nfs/dbraw/zinc/15/34/90/817153490.db2.gz VGHOSTCBTUOTAL-GFCCVEGCSA-N 1 1 298.770 3.500 20 5 CGBDMO C[N@H+]1CCC[C@H](Oc2cccc3nc4ccccc4nc32)C1 ZINC001228522905 817927384 /nfs/dbraw/zinc/92/73/84/817927384.db2.gz QPJOOTIOLJDENS-ZDUSSCGKSA-N 1 1 293.370 3.256 20 5 CGBDMO Cc1cc(NC[C@H]2[N@@H+](C)CCCC2(C)C)c([N+](=O)[O-])s1 ZINC001458367328 937460380 /nfs/dbraw/zinc/46/03/80/937460380.db2.gz JAXYYWMRGSBFAQ-GFCCVEGCSA-N 1 1 297.424 3.497 20 5 CGBDMO Cc1cccnc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001460930700 937554143 /nfs/dbraw/zinc/55/41/43/937554143.db2.gz FOKVQZNBTSDDJG-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001229880381 932497845 /nfs/dbraw/zinc/49/78/45/932497845.db2.gz BXIPMHGYQBQONG-WDNDVIMCSA-N 1 1 290.363 3.216 20 5 CGBDMO CC[N@H+]1CCC[C@H](Oc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001229965136 932511452 /nfs/dbraw/zinc/51/14/52/932511452.db2.gz YOPCWVJLVTZOQI-NSHDSACASA-N 1 1 284.743 3.111 20 5 CGBDMO Cc1ccc(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001559069012 938219713 /nfs/dbraw/zinc/21/97/13/938219713.db2.gz XGVGGQGKWYQFGV-KBPBESRZSA-N 1 1 291.395 3.436 20 5 CGBDMO CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC001559155393 938221301 /nfs/dbraw/zinc/22/13/01/938221301.db2.gz HKLKYQFMGBLJER-QWRGUYRKSA-N 1 1 297.786 3.167 20 5 CGBDMO CC(C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC001559795804 938235742 /nfs/dbraw/zinc/23/57/42/938235742.db2.gz PIHZCWHIABXNAA-UHFFFAOYSA-N 1 1 292.379 3.484 20 5 CGBDMO CNc1ccccc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001560825827 938278121 /nfs/dbraw/zinc/27/81/21/938278121.db2.gz YUUJZSJCLFETBO-UHFFFAOYSA-N 1 1 299.374 3.311 20 5 CGBDMO CCc1cnccc1[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000358515612 529681860 /nfs/dbraw/zinc/68/18/60/529681860.db2.gz ZRQGGCCMBAUNCN-JTQLQIEISA-N 1 1 291.376 3.465 20 5 CGBDMO COC[C@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000295068743 199328798 /nfs/dbraw/zinc/32/87/98/199328798.db2.gz HDNSZESUBFVGNI-CQSZACIVSA-N 1 1 298.770 3.107 20 5 CGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000339004462 214892722 /nfs/dbraw/zinc/89/27/22/214892722.db2.gz WVVBUFXMFPLKCC-OLZOCXBDSA-N 1 1 277.368 3.270 20 5 CGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000050965686 345086363 /nfs/dbraw/zinc/08/63/63/345086363.db2.gz BPQCZPHHERKGPD-UHFFFAOYSA-N 1 1 290.363 3.094 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051125486 345087033 /nfs/dbraw/zinc/08/70/33/345087033.db2.gz QARFFOVGHKBLGW-ZDUSSCGKSA-N 1 1 278.352 3.238 20 5 CGBDMO CC(C)[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000052218298 345100097 /nfs/dbraw/zinc/10/00/97/345100097.db2.gz CIBQWRPPRHUPNF-UHFFFAOYSA-N 1 1 285.347 3.400 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCc1ccncc1 ZINC000067446446 345321451 /nfs/dbraw/zinc/32/14/51/345321451.db2.gz JAMVHPXLVBJUSB-ZDUSSCGKSA-N 1 1 285.347 3.225 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000075768745 232175290 /nfs/dbraw/zinc/17/52/90/232175290.db2.gz NCVXCNRLYUKRMF-HIFRSBDPSA-N 1 1 260.337 3.359 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000075895107 345526466 /nfs/dbraw/zinc/52/64/66/345526466.db2.gz JYMQABNGUIKVOA-TUAOUCFPSA-N 1 1 280.393 3.482 20 5 CGBDMO Cc1cc(NC[C@@H]2CCC[N@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000091482702 345816507 /nfs/dbraw/zinc/81/65/07/345816507.db2.gz YZEZTRFDDMCZSR-NSHDSACASA-N 1 1 297.786 3.310 20 5 CGBDMO CCC[N@H+]1CC[C@@H](CNc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088702899 345763290 /nfs/dbraw/zinc/76/32/90/345763290.db2.gz JGBNWDLOIIWECF-ZDUSSCGKSA-N 1 1 277.368 3.047 20 5 CGBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088726410 345764503 /nfs/dbraw/zinc/76/45/03/345764503.db2.gz NEYFOFGUFVEWMC-AWEZNQCLSA-N 1 1 291.395 3.071 20 5 CGBDMO C[N@H+](CCC1CC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351751548 219195126 /nfs/dbraw/zinc/19/51/26/219195126.db2.gz JIJDAJYUXZRXLO-UHFFFAOYSA-N 1 1 270.279 3.105 20 5 CGBDMO C[N@@H+](CCC1CC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351751548 219195128 /nfs/dbraw/zinc/19/51/28/219195128.db2.gz JIJDAJYUXZRXLO-UHFFFAOYSA-N 1 1 270.279 3.105 20 5 CGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccsc1[N+](=O)[O-] ZINC000588865071 346771591 /nfs/dbraw/zinc/77/15/91/346771591.db2.gz GVCMGUFOGSBOIR-JTQLQIEISA-N 1 1 271.386 3.189 20 5 CGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000588978216 346779822 /nfs/dbraw/zinc/77/98/22/346779822.db2.gz QEEGOVVEOANSMI-AWEZNQCLSA-N 1 1 290.363 3.096 20 5 CGBDMO CCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000594023486 347138782 /nfs/dbraw/zinc/13/87/82/347138782.db2.gz QEQHATOFLFFLFE-UHFFFAOYSA-N 1 1 254.305 3.354 20 5 CGBDMO O=[N+]([O-])c1ccsc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594603399 347200993 /nfs/dbraw/zinc/20/09/93/347200993.db2.gz UXGZJYZMVASBDK-WDEREUQCSA-N 1 1 281.381 3.085 20 5 CGBDMO CCC(CC)C[N@@H+](CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595294727 347288213 /nfs/dbraw/zinc/28/82/13/347288213.db2.gz DALZIKOJEOLRIO-UHFFFAOYSA-N 1 1 269.345 3.149 20 5 CGBDMO CC[C@H](C)C[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595316133 347290904 /nfs/dbraw/zinc/29/09/04/347290904.db2.gz CFOYNONLTXUANG-JTQLQIEISA-N 1 1 254.305 3.212 20 5 CGBDMO Cc1noc(C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000595327993 347291759 /nfs/dbraw/zinc/29/17/59/347291759.db2.gz TXSFNASOSCXONP-ADEWGFFLSA-N 1 1 279.340 3.044 20 5 CGBDMO Cc1noc(C[N@@H+]2CCC[C@@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC000595343816 347294641 /nfs/dbraw/zinc/29/46/41/347294641.db2.gz JZFIVMMQIPZYNT-LBPRGKRZSA-N 1 1 281.356 3.149 20 5 CGBDMO Cc1noc(C[N@@H+]2CCC[C@H]2CCC(C)C)c1[N+](=O)[O-] ZINC000595349704 347296070 /nfs/dbraw/zinc/29/60/70/347296070.db2.gz DBBDHNOMGZFWKP-LBPRGKRZSA-N 1 1 281.356 3.292 20 5 CGBDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595386759 347297594 /nfs/dbraw/zinc/29/75/94/347297594.db2.gz RJMROGYQPCEVNU-ZYHUDNBSSA-N 1 1 281.356 3.292 20 5 CGBDMO COc1ccc(C[N@H+]2CCC[C@H](CCF)C2)cc1[N+](=O)[O-] ZINC000595754734 347350240 /nfs/dbraw/zinc/35/02/40/347350240.db2.gz BPCJKKNJJGDEQN-GFCCVEGCSA-N 1 1 296.342 3.175 20 5 CGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](CCF)C2)cc1 ZINC000595755322 347350361 /nfs/dbraw/zinc/35/03/61/347350361.db2.gz KVVYRRURCFCXEN-CYBMUJFWSA-N 1 1 296.342 3.045 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000595756628 347351927 /nfs/dbraw/zinc/35/19/27/347351927.db2.gz UTUJRUUIXACRQC-LBPRGKRZSA-N 1 1 296.342 3.175 20 5 CGBDMO CC(C)=CCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000595476814 347309639 /nfs/dbraw/zinc/30/96/39/347309639.db2.gz QDQGVXXDQNIUPP-UHFFFAOYSA-N 1 1 262.353 3.425 20 5 CGBDMO Cc1cc(NC[C@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596307349 347414161 /nfs/dbraw/zinc/41/41/61/347414161.db2.gz KZRQXFOXAKIXCW-CYBMUJFWSA-N 1 1 291.395 3.436 20 5 CGBDMO Cc1ccc(NC[C@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596309316 347414566 /nfs/dbraw/zinc/41/45/66/347414566.db2.gz YKKUTCFJPPDOIO-CYBMUJFWSA-N 1 1 291.395 3.436 20 5 CGBDMO Cc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])s1 ZINC000596093536 347382725 /nfs/dbraw/zinc/38/27/25/347382725.db2.gz VIAXOKONUVACSC-LLVKDONJSA-N 1 1 283.397 3.107 20 5 CGBDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000599675858 347764083 /nfs/dbraw/zinc/76/40/83/347764083.db2.gz UPXJZLZRLZRIST-ZFWWWQNUSA-N 1 1 260.337 3.359 20 5 CGBDMO CC[C@H](C)[N@@H+](CCO)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000600167700 347788159 /nfs/dbraw/zinc/78/81/59/347788159.db2.gz AWRUFVIQCSZCKD-ZDUSSCGKSA-N 1 1 294.395 3.311 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCO[C@@H]1C ZINC000602762248 348024376 /nfs/dbraw/zinc/02/43/76/348024376.db2.gz DECIOXOPRDASRL-HIFRSBDPSA-N 1 1 292.379 3.230 20 5 CGBDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000603848802 348098937 /nfs/dbraw/zinc/09/89/37/348098937.db2.gz OONRHMACOLQAJH-ZIAGYGMSSA-N 1 1 292.379 3.484 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610133418 348363832 /nfs/dbraw/zinc/36/38/32/348363832.db2.gz OAFKJHUMZQHIOH-VHSXEESVSA-N 1 1 268.744 3.479 20 5 CGBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000610686877 348396987 /nfs/dbraw/zinc/39/69/87/348396987.db2.gz CBZBERMODBMSJY-NSHDSACASA-N 1 1 283.397 3.046 20 5 CGBDMO Cc1ccc(C[N@H+]2CCC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000611268549 348433600 /nfs/dbraw/zinc/43/36/00/348433600.db2.gz MWLCVQFCPRRZDR-AWEZNQCLSA-N 1 1 260.337 3.278 20 5 CGBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCOC(C)(C)C ZINC000611274710 348434511 /nfs/dbraw/zinc/43/45/11/348434511.db2.gz KOSQDZNBLOQYAL-VQHVLOKHSA-N 1 1 292.379 3.355 20 5 CGBDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614219066 348659430 /nfs/dbraw/zinc/65/94/30/348659430.db2.gz KHIPXLCZHMQESL-MFKMUULPSA-N 1 1 289.335 3.356 20 5 CGBDMO COCc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000271669334 191269579 /nfs/dbraw/zinc/26/95/79/191269579.db2.gz MQIYRJSQHLYZKN-LLVKDONJSA-N 1 1 290.319 3.185 20 5 CGBDMO COc1cccc(C2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000271697208 191281117 /nfs/dbraw/zinc/28/11/17/191281117.db2.gz KDRYZYHLOSKXAO-UHFFFAOYSA-N 1 1 298.342 3.382 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@]23CCOC3)c(Cl)c1 ZINC000341936628 216159176 /nfs/dbraw/zinc/15/91/76/216159176.db2.gz LZVJOZDFWIQQLK-AWEZNQCLSA-N 1 1 296.754 3.003 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@]23CCOC3)c(Cl)c1 ZINC000341936628 216159178 /nfs/dbraw/zinc/15/91/78/216159178.db2.gz LZVJOZDFWIQQLK-AWEZNQCLSA-N 1 1 296.754 3.003 20 5 CGBDMO Cc1cc(NC[C@H]2CC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000301612786 201094748 /nfs/dbraw/zinc/09/47/48/201094748.db2.gz SQYFUMNJXXMQJF-CQSZACIVSA-N 1 1 291.395 3.293 20 5 CGBDMO Cn1cc(Cl)cc1C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000120048570 370734766 /nfs/dbraw/zinc/73/47/66/370734766.db2.gz ZTDXWVKLVBETAC-UHFFFAOYSA-N 1 1 293.754 3.219 20 5 CGBDMO Cn1cc(Cl)cc1C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000120048570 370734768 /nfs/dbraw/zinc/73/47/68/370734768.db2.gz ZTDXWVKLVBETAC-UHFFFAOYSA-N 1 1 293.754 3.219 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451112673 240219468 /nfs/dbraw/zinc/21/94/68/240219468.db2.gz IHDDMZWFVJUJEO-BXUZGUMPSA-N 1 1 266.316 3.480 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](C)(F)C1 ZINC000451112673 240219471 /nfs/dbraw/zinc/21/94/71/240219471.db2.gz IHDDMZWFVJUJEO-BXUZGUMPSA-N 1 1 266.316 3.480 20 5 CGBDMO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000451104689 240219707 /nfs/dbraw/zinc/21/97/07/240219707.db2.gz SDQBLYAEQYLTCJ-RYUDHWBXSA-N 1 1 286.335 3.105 20 5 CGBDMO COc1cc(C[N@H+]2[C@H](C)CCC2(C)C)ccc1[N+](=O)[O-] ZINC000452006572 240393875 /nfs/dbraw/zinc/39/38/75/240393875.db2.gz LYPBIPMUHPMTDM-LLVKDONJSA-N 1 1 278.352 3.366 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1ccccn1 ZINC000275735358 193116279 /nfs/dbraw/zinc/11/62/79/193116279.db2.gz UYXQARUAOVRVEQ-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)Cc1ccccn1 ZINC000275735358 193116281 /nfs/dbraw/zinc/11/62/81/193116281.db2.gz UYXQARUAOVRVEQ-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]2Cc2ccccc2)cc1 ZINC000479116838 243094791 /nfs/dbraw/zinc/09/47/91/243094791.db2.gz SUQAPLIOQNAISI-SFHVURJKSA-N 1 1 296.370 3.454 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1scnc1C1CC1 ZINC000486933763 243379435 /nfs/dbraw/zinc/37/94/35/243379435.db2.gz ATEGKCVBHAYOQI-UHFFFAOYSA-N 1 1 289.360 3.219 20 5 CGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330615487 203041007 /nfs/dbraw/zinc/04/10/07/203041007.db2.gz UETZZPKMWQNBCW-DGCLKSJQSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@@H](C[NH+]1CCCCC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037153352 369069342 /nfs/dbraw/zinc/06/93/42/369069342.db2.gz BKZWTGDIFJTBPF-KBPBESRZSA-N 1 1 291.395 3.120 20 5 CGBDMO Cc1cnc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000134911081 371375640 /nfs/dbraw/zinc/37/56/40/371375640.db2.gz QSWMOMJCHFISKM-JTQLQIEISA-N 1 1 277.349 3.211 20 5 CGBDMO COc1cc(C[N@@H+](C)C[C@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000344072119 217038148 /nfs/dbraw/zinc/03/81/48/217038148.db2.gz SEJIHWDZALCKJF-ZDUSSCGKSA-N 1 1 290.363 3.392 20 5 CGBDMO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCOC(C)(C)C1 ZINC000289872870 371842115 /nfs/dbraw/zinc/84/21/15/371842115.db2.gz QWMYNFDKJXYLAP-HNNXBMFYSA-N 1 1 292.379 3.374 20 5 CGBDMO CCC[N@@H+](CC)CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000156797651 371995247 /nfs/dbraw/zinc/99/52/47/371995247.db2.gz NXFDQYWVKMXKAA-CQSZACIVSA-N 1 1 293.411 3.286 20 5 CGBDMO CCCN(CC)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000156797651 371995249 /nfs/dbraw/zinc/99/52/49/371995249.db2.gz NXFDQYWVKMXKAA-CQSZACIVSA-N 1 1 293.411 3.286 20 5 CGBDMO CCC[N@H+]1CC[C@@H](CNc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000432347534 372564151 /nfs/dbraw/zinc/56/41/51/372564151.db2.gz ONLWJZXAMGJPBW-NSHDSACASA-N 1 1 297.786 3.392 20 5 CGBDMO CC1(C)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCS1 ZINC000434681062 372701778 /nfs/dbraw/zinc/70/17/78/372701778.db2.gz YXJYEQDIENBWDR-UHFFFAOYSA-N 1 1 298.383 3.451 20 5 CGBDMO CCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000353416821 220071639 /nfs/dbraw/zinc/07/16/39/220071639.db2.gz QVUOLOWPZKWIFW-CLFYSBASSA-N 1 1 292.379 3.091 20 5 CGBDMO CC[C@@H](C)C[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000171950685 372867390 /nfs/dbraw/zinc/86/73/90/372867390.db2.gz USOZBLWOBHMTTN-LLVKDONJSA-N 1 1 266.341 3.081 20 5 CGBDMO CC(C)[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000438349094 372935429 /nfs/dbraw/zinc/93/54/29/372935429.db2.gz VHZUDYRVRRPKBQ-AWEZNQCLSA-N 1 1 262.353 3.463 20 5 CGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000441441949 373013170 /nfs/dbraw/zinc/01/31/70/373013170.db2.gz CMHAKHSZYQYNCX-KGLIPLIRSA-N 1 1 290.363 3.238 20 5 CGBDMO COC[C@]1(C)CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000296567340 373180803 /nfs/dbraw/zinc/18/08/03/373180803.db2.gz CXNCCMIWCCBSDQ-SWLSCSKDSA-N 1 1 278.352 3.014 20 5 CGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000447810507 373495183 /nfs/dbraw/zinc/49/51/83/373495183.db2.gz JECQCNBZOSLZEN-CQSZACIVSA-N 1 1 277.368 3.127 20 5 CGBDMO Cc1cc(NCC[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301067935 373645500 /nfs/dbraw/zinc/64/55/00/373645500.db2.gz CVAHROUQHGWHIT-GFCCVEGCSA-N 1 1 277.368 3.047 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H]1C1CC1 ZINC000449425925 373698684 /nfs/dbraw/zinc/69/86/84/373698684.db2.gz NOLFGNCPTLZWHT-KQIUPUNMSA-N 1 1 258.321 3.092 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccoc1 ZINC000178730810 373808096 /nfs/dbraw/zinc/80/80/96/373808096.db2.gz VBTYFBDURCRNNP-SNVBAGLBSA-N 1 1 276.292 3.047 20 5 CGBDMO CSCC[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182849708 374334519 /nfs/dbraw/zinc/33/45/19/374334519.db2.gz BYCOUERKRWVCKU-NSHDSACASA-N 1 1 268.382 3.259 20 5 CGBDMO C[C@H]([NH2+]Cc1cnc(C2CC2)o1)c1cccc([N+](=O)[O-])c1 ZINC000453363108 374450183 /nfs/dbraw/zinc/45/01/83/374450183.db2.gz QHKWISXNHLXRPZ-JTQLQIEISA-N 1 1 287.319 3.311 20 5 CGBDMO C[C@H]([N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1(C)CC1 ZINC000194063214 375956174 /nfs/dbraw/zinc/95/61/74/375956174.db2.gz SVPYUJZSKZTLOV-JTQLQIEISA-N 1 1 293.323 3.123 20 5 CGBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1C ZINC000336810631 375963203 /nfs/dbraw/zinc/96/32/03/375963203.db2.gz ISZMNBXRWORMCY-QWRGUYRKSA-N 1 1 266.316 3.212 20 5 CGBDMO COC(C)(C)C[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538709285 376257894 /nfs/dbraw/zinc/25/78/94/376257894.db2.gz BQFUFXVDEAFYCK-LBPRGKRZSA-N 1 1 280.368 3.321 20 5 CGBDMO C[C@H](c1cccnc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338370804 376355118 /nfs/dbraw/zinc/35/51/18/376355118.db2.gz BUXYQLZAZXUIME-CYBMUJFWSA-N 1 1 285.347 3.225 20 5 CGBDMO CC(C)C[C@H]1CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338942301 376589343 /nfs/dbraw/zinc/58/93/43/376589343.db2.gz KQKIQLCEQMDKFS-CYBMUJFWSA-N 1 1 278.352 3.311 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)CC(C)C ZINC000544610956 376752404 /nfs/dbraw/zinc/75/24/04/376752404.db2.gz GPXBKTMWVNJUGM-UHFFFAOYSA-N 1 1 250.342 3.381 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H]1CF ZINC000556950068 376910480 /nfs/dbraw/zinc/91/04/80/376910480.db2.gz LRKKNGDXIBMVNN-JQVXPOPVSA-N 1 1 278.327 3.432 20 5 CGBDMO CCC[N@@H+](CC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000557495973 376939508 /nfs/dbraw/zinc/93/95/08/376939508.db2.gz FBLPXAWXIWOFFL-UHFFFAOYSA-N 1 1 256.733 3.480 20 5 CGBDMO COc1ccc(C[NH2+]Cc2ccc(Cl)o2)cc1[N+](=O)[O-] ZINC000340446164 377063542 /nfs/dbraw/zinc/06/35/42/377063542.db2.gz XBPMWBFNKKKQFT-UHFFFAOYSA-N 1 1 296.710 3.140 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cs1 ZINC000247336596 377195973 /nfs/dbraw/zinc/19/59/73/377195973.db2.gz FWDPOVFYRFGMJB-VXGBXAGGSA-N 1 1 266.366 3.421 20 5 CGBDMO Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nc1C ZINC000314290284 249095461 /nfs/dbraw/zinc/09/54/61/249095461.db2.gz OLYSVBVHZGNDFC-ZDUSSCGKSA-N 1 1 285.347 3.457 20 5 CGBDMO CC(C)C[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000341480396 377586269 /nfs/dbraw/zinc/58/62/69/377586269.db2.gz FRDDRKKYCGTVQL-UHFFFAOYSA-N 1 1 256.733 3.336 20 5 CGBDMO CC1(C)CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255657118 377773989 /nfs/dbraw/zinc/77/39/89/377773989.db2.gz BUKWFFUDMQSNPB-YVMONPNESA-N 1 1 260.337 3.482 20 5 CGBDMO Cc1ccc(C[N@H+]2CCCCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000342828289 377824575 /nfs/dbraw/zinc/82/45/75/377824575.db2.gz XLVGZHPDJQUBFA-HNNXBMFYSA-N 1 1 292.379 3.030 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000343012754 377882585 /nfs/dbraw/zinc/88/25/85/377882585.db2.gz YBXPVVWSUSHDFJ-OAHLLOKOSA-N 1 1 260.337 3.359 20 5 CGBDMO CC1(C)C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1C1CC1 ZINC000579655801 378180445 /nfs/dbraw/zinc/18/04/45/378180445.db2.gz IFNWRFJUYTYBNW-CQSZACIVSA-N 1 1 260.337 3.215 20 5 CGBDMO Cc1ccncc1[C@@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000611939959 378406323 /nfs/dbraw/zinc/40/63/23/378406323.db2.gz PXZUAFSQIKYBTK-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC3(CCC3)C2)cc1 ZINC000348170203 378820863 /nfs/dbraw/zinc/82/08/63/378820863.db2.gz RPNKSXHXHXFZQN-UHFFFAOYSA-N 1 1 260.337 3.361 20 5 CGBDMO CC[C@]1(C)C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000276066188 378961474 /nfs/dbraw/zinc/96/14/74/378961474.db2.gz QPPFQVIYXUIYML-SWLSCSKDSA-N 1 1 278.352 3.157 20 5 CGBDMO CC[C@]1(C)C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000276066188 378961481 /nfs/dbraw/zinc/96/14/81/378961481.db2.gz QPPFQVIYXUIYML-SWLSCSKDSA-N 1 1 278.352 3.157 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCCSCC1 ZINC000349058919 379147533 /nfs/dbraw/zinc/14/75/33/379147533.db2.gz AFMBMQMVQJNYPD-UTCJRWHESA-N 1 1 278.377 3.047 20 5 CGBDMO C[C@H]([NH2+][C@H](CO)c1ccsc1)c1ccccc1[N+](=O)[O-] ZINC000349313990 379226496 /nfs/dbraw/zinc/22/64/96/379226496.db2.gz PVYTWIADWMPVSQ-GXFFZTMASA-N 1 1 292.360 3.041 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC2(C1)CCOCC2 ZINC000266534593 190264916 /nfs/dbraw/zinc/26/49/16/190264916.db2.gz GZPMPZJJFOIFET-CYBMUJFWSA-N 1 1 290.363 3.158 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000280543674 379728971 /nfs/dbraw/zinc/72/89/71/379728971.db2.gz STXMIWRAULKXGO-ZFWWWQNUSA-N 1 1 292.379 3.029 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000352549637 379854411 /nfs/dbraw/zinc/85/44/11/379854411.db2.gz FACORCJQKHXCEM-UHFFFAOYSA-N 1 1 284.315 3.477 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]32)c(F)c1 ZINC000355114289 380580659 /nfs/dbraw/zinc/58/06/59/380580659.db2.gz UKKXXAXDYUZHLU-YGRLFVJLSA-N 1 1 264.300 3.108 20 5 CGBDMO COc1cc(C[N@H+]2CCCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000360620301 381596759 /nfs/dbraw/zinc/59/67/59/381596759.db2.gz OFVLSROWGUXTBU-LLVKDONJSA-N 1 1 296.342 3.365 20 5 CGBDMO C[C@H]1CC[C@H](C)[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000362439879 381991129 /nfs/dbraw/zinc/99/11/29/381991129.db2.gz PWTJKYMNGLDLLJ-STQMWFEESA-N 1 1 278.352 3.094 20 5 CGBDMO CC[N@@H+](C[C@@H](C)OC)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000361577632 285016687 /nfs/dbraw/zinc/01/66/87/285016687.db2.gz NFTQRVHSFZKKGV-CHWSQXEVSA-N 1 1 280.368 3.321 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCOc3ccccc32)cs1 ZINC000037562968 285086578 /nfs/dbraw/zinc/08/65/78/285086578.db2.gz XOHZVOXWZDDFPP-GFCCVEGCSA-N 1 1 290.344 3.270 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000441435694 285110584 /nfs/dbraw/zinc/11/05/84/285110584.db2.gz FILQDNJPZQTCEC-HOCLYGCPSA-N 1 1 274.364 3.402 20 5 CGBDMO CC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000281360044 195210586 /nfs/dbraw/zinc/21/05/86/195210586.db2.gz LDLZFZKBUKKZPA-QWHCGFSZSA-N 1 1 278.352 3.157 20 5 CGBDMO C[N@H+](CC[C@H]1CCCO1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000191060284 130177841 /nfs/dbraw/zinc/17/78/41/130177841.db2.gz PQLHYCIPLHBPHD-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO C[N@@H+](CC[C@H]1CCCO1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000191060284 130177845 /nfs/dbraw/zinc/17/78/45/130177845.db2.gz PQLHYCIPLHBPHD-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO Cc1c(C[N@H+]2CCS[C@@H](C)CC2)cccc1[N+](=O)[O-] ZINC000192173234 130386411 /nfs/dbraw/zinc/38/64/11/130386411.db2.gz FJAJRDYKCGOCRL-NSHDSACASA-N 1 1 280.393 3.231 20 5 CGBDMO Cc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000051574724 392069850 /nfs/dbraw/zinc/06/98/50/392069850.db2.gz RMBVBXNDYFOSPT-LBPRGKRZSA-N 1 1 271.320 3.149 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCOC1 ZINC000291217998 392458133 /nfs/dbraw/zinc/45/81/33/392458133.db2.gz JDRDPGPALOYULA-ZDUSSCGKSA-N 1 1 298.770 3.248 20 5 CGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCOC1 ZINC000291217998 392458139 /nfs/dbraw/zinc/45/81/39/392458139.db2.gz JDRDPGPALOYULA-ZDUSSCGKSA-N 1 1 298.770 3.248 20 5 CGBDMO CC[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505867146 392702395 /nfs/dbraw/zinc/70/23/95/392702395.db2.gz DSFAUVHNQRSIMM-NSHDSACASA-N 1 1 266.316 3.356 20 5 CGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000466910185 393067494 /nfs/dbraw/zinc/06/74/94/393067494.db2.gz DMEQMUUCCULYCT-GXTWGEPZSA-N 1 1 262.353 3.258 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCO[C@H](C)C1 ZINC000470174739 393229527 /nfs/dbraw/zinc/22/95/27/393229527.db2.gz NAQYANWMNPWERK-RNQWEJQRSA-N 1 1 290.363 3.109 20 5 CGBDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000475154594 393378503 /nfs/dbraw/zinc/37/85/03/393378503.db2.gz DDVWHZUCPNUNCR-AGIUHOORSA-N 1 1 262.353 3.461 20 5 CGBDMO CC(C)[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000487054008 393448388 /nfs/dbraw/zinc/44/83/88/393448388.db2.gz CTXRRTDTRBIMRZ-CQSZACIVSA-N 1 1 297.786 3.025 20 5 CGBDMO C[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000357718557 393514957 /nfs/dbraw/zinc/51/49/57/393514957.db2.gz WOKAQQDXSPJMAZ-STQMWFEESA-N 1 1 278.352 3.094 20 5 CGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC1(C)C ZINC000489436101 393596702 /nfs/dbraw/zinc/59/67/02/393596702.db2.gz LNGVBYPYEJUSMP-LBPRGKRZSA-N 1 1 268.744 3.479 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC1(C)C ZINC000489436101 393596705 /nfs/dbraw/zinc/59/67/05/393596705.db2.gz LNGVBYPYEJUSMP-LBPRGKRZSA-N 1 1 268.744 3.479 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000491185802 393670980 /nfs/dbraw/zinc/67/09/80/393670980.db2.gz IOQQLGRJYBAFNC-FZMZJTMJSA-N 1 1 260.337 3.388 20 5 CGBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc3c(n2)CCCC3)c1 ZINC000444015401 393784186 /nfs/dbraw/zinc/78/41/86/393784186.db2.gz LKHXYGXCOHFSNB-UHFFFAOYSA-N 1 1 297.358 3.158 20 5 CGBDMO CCCc1ncc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000449609424 393920118 /nfs/dbraw/zinc/92/01/18/393920118.db2.gz BMYXYWWJBQLCDP-UHFFFAOYSA-N 1 1 289.335 3.134 20 5 CGBDMO COc1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000075769411 165107183 /nfs/dbraw/zinc/10/71/83/165107183.db2.gz WSJGAGQLKZHGKW-KGLIPLIRSA-N 1 1 290.363 3.368 20 5 CGBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC1CC1 ZINC000092067074 287110608 /nfs/dbraw/zinc/11/06/08/287110608.db2.gz UXYBPNONSXBESX-GQCTYLIASA-N 1 1 260.337 3.340 20 5 CGBDMO COc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000119131790 287165457 /nfs/dbraw/zinc/16/54/57/287165457.db2.gz RFAMYVWKRWNJFJ-VXGBXAGGSA-N 1 1 278.352 3.224 20 5 CGBDMO CC(C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000044572641 175210271 /nfs/dbraw/zinc/21/02/71/175210271.db2.gz XWHXLIRTEZWWLV-JTQLQIEISA-N 1 1 283.759 3.143 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cs1 ZINC000177514367 224635288 /nfs/dbraw/zinc/63/52/88/224635288.db2.gz BHHNBDKLMLWOFG-TXEJJXNPSA-N 1 1 266.366 3.278 20 5 CGBDMO CC(C)OCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130910676 287366189 /nfs/dbraw/zinc/36/61/89/287366189.db2.gz TYOAXCSVSSDZNJ-UHFFFAOYSA-N 1 1 292.379 3.374 20 5 CGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1cccc(O)c1 ZINC000533255482 270222724 /nfs/dbraw/zinc/22/27/24/270222724.db2.gz UNXFBEAXDMZCBA-YVMONPNESA-N 1 1 298.342 3.446 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1 ZINC000341126231 274295974 /nfs/dbraw/zinc/29/59/74/274295974.db2.gz NOPQITGCDWBBPV-BETUJISGSA-N 1 1 277.368 3.270 20 5 CGBDMO CC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000156570715 276187830 /nfs/dbraw/zinc/18/78/30/276187830.db2.gz RIZXHGOZSJXLHS-KBPBESRZSA-N 1 1 291.395 3.038 20 5 CGBDMO CC[N@H+]1CCC[C@H]1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000156570715 276187831 /nfs/dbraw/zinc/18/78/31/276187831.db2.gz RIZXHGOZSJXLHS-KBPBESRZSA-N 1 1 291.395 3.038 20 5 CGBDMO COc1ccc(C[NH+]2CC3(C2)CCCCC3)cc1[N+](=O)[O-] ZINC000459595408 288099247 /nfs/dbraw/zinc/09/92/47/288099247.db2.gz MWYQJOKPCVUUOH-UHFFFAOYSA-N 1 1 290.363 3.370 20 5 CGBDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000348245523 280095039 /nfs/dbraw/zinc/09/50/39/280095039.db2.gz KKQHREKSZVCEFB-CABZTGNLSA-N 1 1 288.269 3.368 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@](C)(F)C1 ZINC000352768706 281022671 /nfs/dbraw/zinc/02/26/71/281022671.db2.gz IUUUAJNFMINHGX-FZMZJTMJSA-N 1 1 266.316 3.398 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@](C)(F)C1 ZINC000352768706 281022672 /nfs/dbraw/zinc/02/26/72/281022672.db2.gz IUUUAJNFMINHGX-FZMZJTMJSA-N 1 1 266.316 3.398 20 5 CGBDMO C[C@H](C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000554845509 289313452 /nfs/dbraw/zinc/31/34/52/289313452.db2.gz ANPRBSREGUZAII-SNVBAGLBSA-N 1 1 290.285 3.268 20 5 CGBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(F)F ZINC000559879597 289558175 /nfs/dbraw/zinc/55/81/75/289558175.db2.gz YRDVBMZQLWSWAF-SNVBAGLBSA-N 1 1 272.295 3.161 20 5 CGBDMO CC1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C1CC1 ZINC000565807432 322092104 /nfs/dbraw/zinc/09/21/04/322092104.db2.gz SPYDIXAEDVZZAN-AWEZNQCLSA-N 1 1 260.337 3.215 20 5 CGBDMO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c2nccn21 ZINC000574339519 322435843 /nfs/dbraw/zinc/43/58/43/322435843.db2.gz SGWPLWSDWSSXQX-SWHYSGLUSA-N 1 1 298.346 3.074 20 5 CGBDMO COc1ccc(C[N@H+]2CC(C)(C)[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000582980419 329293829 /nfs/dbraw/zinc/29/38/29/329293829.db2.gz FILKFEFYKQYBQW-OAHLLOKOSA-N 1 1 292.379 3.470 20 5 CGBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1CCOCC1 ZINC000156051970 523229333 /nfs/dbraw/zinc/22/93/33/523229333.db2.gz MUWWSFUMGGKHRT-UHFFFAOYSA-N 1 1 298.770 3.107 20 5 CGBDMO CCC[C@H]([NH2+][C@H](CN)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423262012 528240676 /nfs/dbraw/zinc/24/06/76/528240676.db2.gz LJUHZCXHGKPUSB-HOCLYGCPSA-N 1 1 293.411 3.399 20 5 CGBDMO CCCC[C@H](CN)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423303759 528955551 /nfs/dbraw/zinc/95/55/51/528955551.db2.gz XKSASIWJMYJNKY-CZUORRHYSA-N 1 1 291.395 3.079 20 5 CGBDMO CCCC[C@H](CN)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423293778 528957893 /nfs/dbraw/zinc/95/78/93/528957893.db2.gz ASKGTGOWHBILOB-UKRRQHHQSA-N 1 1 279.384 3.153 20 5 CGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000357555566 529249656 /nfs/dbraw/zinc/24/96/56/529249656.db2.gz VCLLFHPCXUISLP-YPMHNXCESA-N 1 1 278.352 3.366 20 5 CGBDMO CC[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000173315541 529369012 /nfs/dbraw/zinc/36/90/12/529369012.db2.gz XURDPHQZOLBEFL-DZGCQCFKSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000740870615 572463002 /nfs/dbraw/zinc/46/30/02/572463002.db2.gz GPNOPRPHYPHMLZ-NWDGAFQWSA-N 1 1 295.358 3.043 20 5 CGBDMO CCCCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000744406516 572750028 /nfs/dbraw/zinc/75/00/28/572750028.db2.gz FDMCYZWOWAFGGG-ZDUSSCGKSA-N 1 1 292.383 3.056 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCCCCCO)C1CC1 ZINC000749529022 573017012 /nfs/dbraw/zinc/01/70/12/573017012.db2.gz VCZUZACRBOJWAG-UHFFFAOYSA-N 1 1 292.379 3.112 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1cncs1 ZINC000934194835 618523888 /nfs/dbraw/zinc/52/38/88/618523888.db2.gz BYDXNEZYCRXQBP-MRVPVSSYSA-N 1 1 281.312 3.041 20 5 CGBDMO CCOc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000892622655 618876991 /nfs/dbraw/zinc/87/69/91/618876991.db2.gz PZGATVRUWXEEPJ-LLVKDONJSA-N 1 1 290.319 3.437 20 5 CGBDMO CC[C@@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000814179556 619415754 /nfs/dbraw/zinc/41/57/54/619415754.db2.gz ULTKEZFVSSRXJI-SNVBAGLBSA-N 1 1 254.717 3.233 20 5 CGBDMO CC[C@@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000814179556 619415755 /nfs/dbraw/zinc/41/57/55/619415755.db2.gz ULTKEZFVSSRXJI-SNVBAGLBSA-N 1 1 254.717 3.233 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](CF)C1 ZINC000895569100 619853830 /nfs/dbraw/zinc/85/38/30/619853830.db2.gz SOLHWYXOFRFLLV-LBPRGKRZSA-N 1 1 266.316 3.003 20 5 CGBDMO CO[C@@H]1CC[C@@H](C)[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000895944690 619913902 /nfs/dbraw/zinc/91/39/02/619913902.db2.gz GNOAYYJWJKUBGP-BBUPELFUSA-N 1 1 290.363 3.107 20 5 CGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC1(Cl)Cl ZINC000914806577 623862561 /nfs/dbraw/zinc/86/25/61/623862561.db2.gz STCBABHBTLGOFB-JTQLQIEISA-N 1 1 289.162 3.220 20 5 CGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC1(Cl)Cl ZINC000914806577 623862563 /nfs/dbraw/zinc/86/25/63/623862563.db2.gz STCBABHBTLGOFB-JTQLQIEISA-N 1 1 289.162 3.220 20 5 CGBDMO CCCC[N@@H+](C)CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761519845 627047265 /nfs/dbraw/zinc/04/72/65/627047265.db2.gz JGXNKCABYOPVFL-UHFFFAOYSA-N 1 1 299.802 3.070 20 5 CGBDMO CCCCN(C)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761519845 627047266 /nfs/dbraw/zinc/04/72/66/627047266.db2.gz JGXNKCABYOPVFL-UHFFFAOYSA-N 1 1 299.802 3.070 20 5 CGBDMO CCCC[N@@H+](CC)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764876947 627231371 /nfs/dbraw/zinc/23/13/71/627231371.db2.gz CSUUFCCWZSXEMD-UHFFFAOYSA-N 1 1 290.367 3.332 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(F)n1 ZINC000773086513 627853608 /nfs/dbraw/zinc/85/36/08/627853608.db2.gz JVWICOWMHJETTE-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO CC1(C)CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776589405 628222317 /nfs/dbraw/zinc/22/23/17/628222317.db2.gz SJYUYVBLHWRMRP-HNNXBMFYSA-N 1 1 292.379 3.140 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)cc1Cl ZINC000783571371 628727195 /nfs/dbraw/zinc/72/71/95/628727195.db2.gz BDWQFIIPUNMAQH-GFCCVEGCSA-N 1 1 280.755 3.480 20 5 CGBDMO CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2CC[N+](=O)[O-])cc1 ZINC000791052852 629253201 /nfs/dbraw/zinc/25/32/01/629253201.db2.gz GDGFJQBUHVTDIM-HNNXBMFYSA-N 1 1 276.380 3.398 20 5 CGBDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792865482 629387996 /nfs/dbraw/zinc/38/79/96/629387996.db2.gz BYTPHBPJYDMACV-WDEREUQCSA-N 1 1 293.323 3.123 20 5 CGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCC1 ZINC000792872749 629389904 /nfs/dbraw/zinc/38/99/04/629389904.db2.gz OWLSCTQHDVLHGT-UHFFFAOYSA-N 1 1 293.323 3.266 20 5 CGBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC(C)(C)C1 ZINC000796529919 629795848 /nfs/dbraw/zinc/79/58/48/629795848.db2.gz CSPSIZSQNPCFOG-LSDHHAIUSA-N 1 1 292.379 3.139 20 5 CGBDMO C[C@@H]([NH2+]CCOC1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028353 633948242 /nfs/dbraw/zinc/94/82/42/633948242.db2.gz JPKNSKZWULPZNH-LLVKDONJSA-N 1 1 296.342 3.344 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000880232866 635943882 /nfs/dbraw/zinc/94/38/82/635943882.db2.gz RRZHSIOLZVWPNX-SNVBAGLBSA-N 1 1 286.734 3.430 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H](CF)C1 ZINC000880232866 635943886 /nfs/dbraw/zinc/94/38/86/635943886.db2.gz RRZHSIOLZVWPNX-SNVBAGLBSA-N 1 1 286.734 3.430 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)O[NH+]=C(N)[C@H]1C[C@H]1C ZINC000848517788 636584712 /nfs/dbraw/zinc/58/47/12/636584712.db2.gz GBVNZYZBVXVKDU-NRUUGDAUSA-N 1 1 277.324 3.119 20 5 CGBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000133246745 636887694 /nfs/dbraw/zinc/88/76/94/636887694.db2.gz QPUQRWTZZKZEKM-UWVGGRQHSA-N 1 1 268.744 3.479 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000885929510 637316217 /nfs/dbraw/zinc/31/62/17/637316217.db2.gz REEGKAPAUKIGSI-HNNXBMFYSA-N 1 1 283.331 3.327 20 5 CGBDMO CC(C)C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000885971002 637337732 /nfs/dbraw/zinc/33/77/32/637337732.db2.gz MYJVWYWXXLLQQF-UHFFFAOYSA-N 1 1 277.368 3.390 20 5 CGBDMO CC(C)C[C@@]1(C)CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886222922 637464599 /nfs/dbraw/zinc/46/45/99/637464599.db2.gz DATSWRLAPZBDKQ-OAHLLOKOSA-N 1 1 277.368 3.390 20 5 CGBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853697873 637895029 /nfs/dbraw/zinc/89/50/29/637895029.db2.gz WSMALMYTYAWTPT-NSHDSACASA-N 1 1 299.321 3.063 20 5 CGBDMO C[N@@H+](CCCc1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000929164445 638904251 /nfs/dbraw/zinc/90/42/51/638904251.db2.gz IVULZAYAVKSAPN-UHFFFAOYSA-N 1 1 285.347 3.054 20 5 CGBDMO Cc1cc(C)nc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000930236859 638985209 /nfs/dbraw/zinc/98/52/09/638985209.db2.gz ZQHQSLIVJIYWEB-ZDUSSCGKSA-N 1 1 285.347 3.457 20 5 CGBDMO O=[N+]([O-])c1c(F)cccc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000858780115 639021924 /nfs/dbraw/zinc/02/19/24/639021924.db2.gz IXYZGFUDUWARFS-LBPRGKRZSA-N 1 1 293.342 3.163 20 5 CGBDMO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000080267057 640459135 /nfs/dbraw/zinc/45/91/35/640459135.db2.gz KOKRKSDMBCRNMI-NXEZZACHSA-N 1 1 277.349 3.463 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](F)CC1 ZINC001254551448 806448345 /nfs/dbraw/zinc/44/83/45/806448345.db2.gz BENZMLRVKYYNAN-GXTWGEPZSA-N 1 1 280.343 3.350 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)(CF)C1 ZINC001254552759 806449457 /nfs/dbraw/zinc/44/94/57/806449457.db2.gz PADAQFIEMKMYOP-DOMZBBRYSA-N 1 1 280.343 3.207 20 5 CGBDMO CC[C@@H]1CC[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254568421 806453169 /nfs/dbraw/zinc/45/31/69/806453169.db2.gz FQVSMQAYHBFTEP-CHWSQXEVSA-N 1 1 262.353 3.258 20 5 CGBDMO C[C@@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254593254 806457213 /nfs/dbraw/zinc/45/72/13/806457213.db2.gz KOQWQRWTNHREJP-MLGOLLRUSA-N 1 1 274.364 3.184 20 5 CGBDMO C[C@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001254596732 806456883 /nfs/dbraw/zinc/45/68/83/806456883.db2.gz FUJIEQPLWTWQDF-IINYFYTJSA-N 1 1 296.317 3.039 20 5 CGBDMO Cc1ncccc1C[N@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254565783 806450759 /nfs/dbraw/zinc/45/07/59/806450759.db2.gz PXNXBXQMCHMRCH-ZDUSSCGKSA-N 1 1 299.374 3.361 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCCC(F)(F)CC1)C2 ZINC001254600932 806458938 /nfs/dbraw/zinc/45/89/38/806458938.db2.gz WXBXEZQGTVPYIH-AWEZNQCLSA-N 1 1 296.317 3.183 20 5 CGBDMO C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000036964878 798852576 /nfs/dbraw/zinc/85/25/76/798852576.db2.gz AJISXXDWHVDTBO-JTQLQIEISA-N 1 1 268.744 3.480 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000036964878 798852580 /nfs/dbraw/zinc/85/25/80/798852580.db2.gz AJISXXDWHVDTBO-JTQLQIEISA-N 1 1 268.744 3.480 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2C2CCC2)cc1F ZINC000688255531 799744421 /nfs/dbraw/zinc/74/44/21/799744421.db2.gz NYWXFYWAAXZHDN-AWEZNQCLSA-N 1 1 278.327 3.498 20 5 CGBDMO Cc1cn(Cc2cc(Cl)ccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000715081987 800130005 /nfs/dbraw/zinc/13/00/05/800130005.db2.gz NAOYMBBAXBCPLJ-UHFFFAOYSA-N 1 1 265.700 3.110 20 5 CGBDMO CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001169009037 807551095 /nfs/dbraw/zinc/55/10/95/807551095.db2.gz UMPJDMGKDGGBNX-JSGCOSHPSA-N 1 1 254.374 3.086 20 5 CGBDMO C[C@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169011949 807553269 /nfs/dbraw/zinc/55/32/69/807553269.db2.gz NWCILOGBMVJJHI-KCQAQPDRSA-N 1 1 274.364 3.051 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001169035852 807555297 /nfs/dbraw/zinc/55/52/97/807555297.db2.gz DIXKBVLSHHDXGY-GOEBONIOSA-N 1 1 274.364 3.096 20 5 CGBDMO Cc1ccc(C[N@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1C ZINC001169040946 807557038 /nfs/dbraw/zinc/55/70/38/807557038.db2.gz AFMGWADEWFDUBZ-CVEARBPZSA-N 1 1 276.380 3.181 20 5 CGBDMO COc1ccc(C[C@@H](C)[N@@H+](C)C2CC(C)C2)c([N+](=O)[O-])c1 ZINC001170327606 807826388 /nfs/dbraw/zinc/82/63/88/807826388.db2.gz GTJIEOJKODFXNX-MBHSVXNSSA-N 1 1 292.379 3.265 20 5 CGBDMO CCC[N@@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908250 808475855 /nfs/dbraw/zinc/47/58/55/808475855.db2.gz LJZGZKRJAYLXKK-AWEZNQCLSA-N 1 1 262.353 3.184 20 5 CGBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)C(C)C)c1F ZINC001173186034 808533577 /nfs/dbraw/zinc/53/35/77/808533577.db2.gz RBZMTRCOBWDQSN-JTQLQIEISA-N 1 1 284.331 3.014 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](C)(CF)C1 ZINC001173222996 808540402 /nfs/dbraw/zinc/54/04/02/808540402.db2.gz WAZLONFUWYNBKE-IUODEOHRSA-N 1 1 280.343 3.207 20 5 CGBDMO Cc1cc(N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001187445571 810400111 /nfs/dbraw/zinc/40/01/11/810400111.db2.gz MONJUBJHPFDBGB-OAHLLOKOSA-N 1 1 291.395 3.070 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC001203659009 812418565 /nfs/dbraw/zinc/41/85/65/812418565.db2.gz XJZQCXCCTXGMNZ-LLVKDONJSA-N 1 1 296.330 3.322 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1Nc1c[nH+]c2cccc(C)n12 ZINC001210444838 814459085 /nfs/dbraw/zinc/45/90/85/814459085.db2.gz SUDCJEYVUAIGOO-UHFFFAOYSA-N 1 1 298.302 3.303 20 5 CGBDMO Cc1cc(O[C@@H]2CCC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC001228838078 818017056 /nfs/dbraw/zinc/01/70/56/818017056.db2.gz LKVJKYJKPGVWHS-CQSZACIVSA-N 1 1 278.352 3.155 20 5 CGBDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001330089354 935267773 /nfs/dbraw/zinc/26/77/73/935267773.db2.gz LPKAKFQHZCHPJG-CHWSQXEVSA-N 1 1 298.383 3.450 20 5 CGBDMO Cc1cc(O[C@@H]2CCC[N@H+](C(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC001229469940 932157080 /nfs/dbraw/zinc/15/70/80/932157080.db2.gz LSYKASQUDSVGRP-CQSZACIVSA-N 1 1 292.379 3.463 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001308629177 933147253 /nfs/dbraw/zinc/14/72/53/933147253.db2.gz MCFDDDYJIHOOKK-SECBINFHSA-N 1 1 288.269 3.455 20 5 CGBDMO CS[C@@H]1CC[C@H]([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001318783774 933779061 /nfs/dbraw/zinc/77/90/61/933779061.db2.gz GREDWRZKSQFMID-WDEREUQCSA-N 1 1 298.383 3.450 20 5 CGBDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001318783774 933779069 /nfs/dbraw/zinc/77/90/69/933779069.db2.gz GREDWRZKSQFMID-WDEREUQCSA-N 1 1 298.383 3.450 20 5 CGBDMO CCCC1(CCC)CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC001473768720 937820923 /nfs/dbraw/zinc/82/09/23/937820923.db2.gz DVUJIMNMSRMSCA-UHFFFAOYSA-N 1 1 294.399 3.226 20 5 CGBDMO C[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC001559654188 938232037 /nfs/dbraw/zinc/23/20/37/938232037.db2.gz DCELOYQIVJZLCR-UONOGXRCSA-N 1 1 292.379 3.342 20 5 CGBDMO Cc1cccnc1[C@@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC001560220847 938247668 /nfs/dbraw/zinc/24/76/68/938247668.db2.gz GTGCGFRTCISAFK-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO COc1ccc(F)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000590184464 346835614 /nfs/dbraw/zinc/83/56/14/346835614.db2.gz SWNPDCDCDALDGL-UHFFFAOYSA-N 1 1 290.294 3.032 20 5 CGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000426567529 529820749 /nfs/dbraw/zinc/82/07/49/529820749.db2.gz WJBQWLZUIFLFGN-QPBFKRLHSA-N 1 1 260.337 3.338 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC23CCCC3)c(F)c1 ZINC000593040698 347030735 /nfs/dbraw/zinc/03/07/35/347030735.db2.gz ZPTPTEWZOXAFSK-UHFFFAOYSA-N 1 1 264.300 3.252 20 5 CGBDMO COc1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000031960530 344928943 /nfs/dbraw/zinc/92/89/43/344928943.db2.gz ZXMUNLXDDXYKCK-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO COc1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000031960530 344928945 /nfs/dbraw/zinc/92/89/45/344928945.db2.gz ZXMUNLXDDXYKCK-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO CC(C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000042123140 344978535 /nfs/dbraw/zinc/97/85/35/344978535.db2.gz QLRCUCMOWHFJNZ-UHFFFAOYSA-N 1 1 250.342 3.461 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000058889031 345203048 /nfs/dbraw/zinc/20/30/48/345203048.db2.gz RKEVIVHSODZUCP-LLVKDONJSA-N 1 1 288.269 3.369 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000058889031 345203049 /nfs/dbraw/zinc/20/30/49/345203049.db2.gz RKEVIVHSODZUCP-LLVKDONJSA-N 1 1 288.269 3.369 20 5 CGBDMO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000073006795 345425838 /nfs/dbraw/zinc/42/58/38/345425838.db2.gz CQLWNUDEIVWMKJ-JTQLQIEISA-N 1 1 289.335 3.359 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+]([C@H]1C=CCCC1)CC2 ZINC000088606429 345762840 /nfs/dbraw/zinc/76/28/40/345762840.db2.gz QGAVFTVGIVTUOQ-AWEZNQCLSA-N 1 1 258.321 3.062 20 5 CGBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000092656932 345849731 /nfs/dbraw/zinc/84/97/31/345849731.db2.gz HTBSOVYVXRWFCD-HIFRSBDPSA-N 1 1 291.395 3.070 20 5 CGBDMO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC000116280741 345976406 /nfs/dbraw/zinc/97/64/06/345976406.db2.gz AAHFGLJPHOGIGC-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO C[C@@H](F)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000351767392 219199962 /nfs/dbraw/zinc/19/99/62/219199962.db2.gz VGWNUZPZRVAFFN-LLVKDONJSA-N 1 1 266.316 3.307 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)cs1 ZINC000594026317 347138794 /nfs/dbraw/zinc/13/87/94/347138794.db2.gz IYSXJLCBCHEXST-CYBMUJFWSA-N 1 1 296.392 3.190 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)cs1 ZINC000594026317 347138796 /nfs/dbraw/zinc/13/87/96/347138796.db2.gz IYSXJLCBCHEXST-CYBMUJFWSA-N 1 1 296.392 3.190 20 5 CGBDMO CCCn1nccc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000594933815 347234007 /nfs/dbraw/zinc/23/40/07/347234007.db2.gz CEQYRVIXMLRYKV-LBPRGKRZSA-N 1 1 288.351 3.052 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595290686 347287292 /nfs/dbraw/zinc/28/72/92/347287292.db2.gz JNCGZJGSGFJBJV-SNVBAGLBSA-N 1 1 254.305 3.354 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000595303707 347289398 /nfs/dbraw/zinc/28/93/98/347289398.db2.gz BVIHENVQAZNJGT-ZDUSSCGKSA-N 1 1 264.300 3.108 20 5 CGBDMO CCCCC[C@H]1CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595349339 347296045 /nfs/dbraw/zinc/29/60/45/347296045.db2.gz BWHVFCZBOLWAKS-LBPRGKRZSA-N 1 1 281.356 3.436 20 5 CGBDMO CCC(C)(C)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595370841 347296573 /nfs/dbraw/zinc/29/65/73/347296573.db2.gz JUHMRNWULHUAGS-UHFFFAOYSA-N 1 1 254.305 3.354 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000595755547 347350271 /nfs/dbraw/zinc/35/02/71/347350271.db2.gz NTHUUJDXKQGJMM-LBPRGKRZSA-N 1 1 266.316 3.166 20 5 CGBDMO C[C@H]1[C@@H](C)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595548956 347318077 /nfs/dbraw/zinc/31/80/77/347318077.db2.gz BILXDXXMWCAEBK-GMTAPVOTSA-N 1 1 266.316 3.210 20 5 CGBDMO CC[C@@H](C)[N@@H+](CC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000595592656 347322831 /nfs/dbraw/zinc/32/28/31/347322831.db2.gz HVZZSDLZKPWCMH-SNVBAGLBSA-N 1 1 254.305 3.354 20 5 CGBDMO CC[C@@H](C)[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000595593483 347322835 /nfs/dbraw/zinc/32/28/35/347322835.db2.gz QKTQVVAUTHZXCZ-LLVKDONJSA-N 1 1 266.341 3.224 20 5 CGBDMO Cc1cc(N2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])s1 ZINC000596101449 347383273 /nfs/dbraw/zinc/38/32/73/347383273.db2.gz KMWZGAFYPMZAPQ-UHFFFAOYSA-N 1 1 292.364 3.072 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H]3CCC[C@H]32)c(F)c1 ZINC000351837529 219220605 /nfs/dbraw/zinc/22/06/05/219220605.db2.gz VGYJGQQBHOUNIR-YMTOWFKASA-N 1 1 282.290 3.247 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H]3CCC[C@H]32)c(F)c1 ZINC000351837529 219220608 /nfs/dbraw/zinc/22/06/08/219220608.db2.gz VGYJGQQBHOUNIR-YMTOWFKASA-N 1 1 282.290 3.247 20 5 CGBDMO C/C=C\C[C@@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000599689270 347766183 /nfs/dbraw/zinc/76/61/83/347766183.db2.gz IKUHWKHVKYJUHP-VSQXVHSFSA-N 1 1 279.340 3.069 20 5 CGBDMO Cc1cc(NC[C@H]2CCCC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000599141698 347720664 /nfs/dbraw/zinc/72/06/64/347720664.db2.gz PJWIBGQFPOYFLO-GFCCVEGCSA-N 1 1 295.358 3.186 20 5 CGBDMO O=[N+]([O-])c1ccsc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599166390 347722597 /nfs/dbraw/zinc/72/25/97/347722597.db2.gz UYVOULNZFBPRFS-NSHDSACASA-N 1 1 281.381 3.085 20 5 CGBDMO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000599624842 347759067 /nfs/dbraw/zinc/75/90/67/347759067.db2.gz ZVQQXEXCGJKYIV-SNVBAGLBSA-N 1 1 270.279 3.214 20 5 CGBDMO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000599624842 347759069 /nfs/dbraw/zinc/75/90/69/347759069.db2.gz ZVQQXEXCGJKYIV-SNVBAGLBSA-N 1 1 270.279 3.214 20 5 CGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCCCC3)c2c1 ZINC000601098849 347869025 /nfs/dbraw/zinc/86/90/25/347869025.db2.gz ICKRALKYDNSWIV-UHFFFAOYSA-N 1 1 257.293 3.133 20 5 CGBDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602777612 348027164 /nfs/dbraw/zinc/02/71/64/348027164.db2.gz HLVGSNWSYQCOCN-TZMCWYRMSA-N 1 1 294.399 3.000 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000604012201 348106478 /nfs/dbraw/zinc/10/64/78/348106478.db2.gz KLSUMQUSIQMYTH-CQSZACIVSA-N 1 1 292.379 3.486 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(F)F)C1 ZINC000611180549 348426648 /nfs/dbraw/zinc/42/66/48/348426648.db2.gz ZEQQMEYLPLZGFA-ZJUUUORDSA-N 1 1 270.279 3.243 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180848 348427106 /nfs/dbraw/zinc/42/71/06/348427106.db2.gz XQITYSIGRGKUMG-SNVBAGLBSA-N 1 1 282.290 3.387 20 5 CGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1sccc1[N+](=O)[O-] ZINC000619158301 349214798 /nfs/dbraw/zinc/21/47/98/349214798.db2.gz QHBSVALUEILKCT-LLVKDONJSA-N 1 1 283.397 3.189 20 5 CGBDMO COCCCC[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000352090883 219316950 /nfs/dbraw/zinc/31/69/50/219316950.db2.gz DVZHPOQZZINNNV-GFCCVEGCSA-N 1 1 266.341 3.014 20 5 CGBDMO CC[C@H]1CC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000292315907 198241559 /nfs/dbraw/zinc/24/15/59/198241559.db2.gz DZHBGOQHPUOMSM-NSHDSACASA-N 1 1 254.717 3.233 20 5 CGBDMO CC[C@H]1CC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000292315907 198241561 /nfs/dbraw/zinc/24/15/61/198241561.db2.gz DZHBGOQHPUOMSM-NSHDSACASA-N 1 1 254.717 3.233 20 5 CGBDMO CSC[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000292378364 198265226 /nfs/dbraw/zinc/26/52/26/198265226.db2.gz JJHAYUFXAHZPBI-ZDUSSCGKSA-N 1 1 294.420 3.478 20 5 CGBDMO Cc1noc(C)c1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000153940707 188113630 /nfs/dbraw/zinc/11/36/30/188113630.db2.gz RJTCGZNAEYJIET-JTQLQIEISA-N 1 1 289.335 3.359 20 5 CGBDMO CC(C)[N@H+]1CCC[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000341935846 216159812 /nfs/dbraw/zinc/15/98/12/216159812.db2.gz SGSYCKSIWNZTKJ-GFCCVEGCSA-N 1 1 295.358 3.266 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341968290 216170348 /nfs/dbraw/zinc/17/03/48/216170348.db2.gz ARZPQRFBFCIZCK-CZUORRHYSA-N 1 1 290.363 3.158 20 5 CGBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000301951768 201273276 /nfs/dbraw/zinc/27/32/76/201273276.db2.gz HTBSOVYVXRWFCD-ZFWWWQNUSA-N 1 1 291.395 3.070 20 5 CGBDMO C[C@H]1CCCC[N@H+]1CCCNc1sccc1[N+](=O)[O-] ZINC000301980862 201285505 /nfs/dbraw/zinc/28/55/05/201285505.db2.gz GTWCTRMPTXBYDD-NSHDSACASA-N 1 1 283.397 3.333 20 5 CGBDMO CS[C@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000451309823 240271848 /nfs/dbraw/zinc/27/18/48/240271848.db2.gz DUGAPSXRNVQKMB-MFKMUULPSA-N 1 1 266.366 3.093 20 5 CGBDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000050443419 369439361 /nfs/dbraw/zinc/43/93/61/369439361.db2.gz HXBDHOXYCPNBKG-JTQLQIEISA-N 1 1 291.738 3.494 20 5 CGBDMO CCC(CC)[N@@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1 ZINC000064805765 369661249 /nfs/dbraw/zinc/66/12/49/369661249.db2.gz CUYJBAGOADIHAG-UHFFFAOYSA-N 1 1 280.368 3.232 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccco1 ZINC000066564627 369697040 /nfs/dbraw/zinc/69/70/40/369697040.db2.gz CNXXSVCMJPNDBL-LLVKDONJSA-N 1 1 260.293 3.381 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccco1 ZINC000066564627 369697045 /nfs/dbraw/zinc/69/70/45/369697045.db2.gz CNXXSVCMJPNDBL-LLVKDONJSA-N 1 1 260.293 3.381 20 5 CGBDMO COC[C@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000112989626 370460769 /nfs/dbraw/zinc/46/07/69/370460769.db2.gz ZVAHHBFQLDTEIP-STQMWFEESA-N 1 1 278.352 3.014 20 5 CGBDMO Cc1c([C@@H](C)NC[C@@H](C)[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000130967049 371072885 /nfs/dbraw/zinc/07/28/85/371072885.db2.gz CAHREGFJBWQZKJ-DGCLKSJQSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1c([C@@H](C)NC[C@@H](C)[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000130967049 371072888 /nfs/dbraw/zinc/07/28/88/371072888.db2.gz CAHREGFJBWQZKJ-DGCLKSJQSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1c(C[N@H+]2CCC(F)(F)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000289949526 371860102 /nfs/dbraw/zinc/86/01/02/371860102.db2.gz VYUYVHRZQLYPHR-JTQLQIEISA-N 1 1 284.306 3.380 20 5 CGBDMO CC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000156570441 371985177 /nfs/dbraw/zinc/98/51/77/371985177.db2.gz RWIGLZIHKDWHAL-ZFWWWQNUSA-N 1 1 291.395 3.038 20 5 CGBDMO CC[N@H+]1CCC[C@H]1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000156570441 371985186 /nfs/dbraw/zinc/98/51/86/371985186.db2.gz RWIGLZIHKDWHAL-ZFWWWQNUSA-N 1 1 291.395 3.038 20 5 CGBDMO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CCC1 ZINC000425415936 372125723 /nfs/dbraw/zinc/12/57/23/372125723.db2.gz HKUDCUHAJRVQPX-UHFFFAOYSA-N 1 1 299.168 3.342 20 5 CGBDMO CCC[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000434989656 372722788 /nfs/dbraw/zinc/72/27/88/372722788.db2.gz BSVUMAFDGKAWLA-UHFFFAOYSA-N 1 1 288.294 3.428 20 5 CGBDMO CS[C@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000296052489 373006586 /nfs/dbraw/zinc/00/65/86/373006586.db2.gz AYZNAKCRDUBWFG-YPMHNXCESA-N 1 1 280.393 3.402 20 5 CGBDMO CC(C)[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000446728744 373347061 /nfs/dbraw/zinc/34/70/61/373347061.db2.gz POXOPOXQBHPXSW-NSHDSACASA-N 1 1 266.316 3.212 20 5 CGBDMO Cc1cc(N[C@H]2CC[N@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301390345 373769735 /nfs/dbraw/zinc/76/97/35/373769735.db2.gz GGYRZGUSWBYHDC-AWEZNQCLSA-N 1 1 289.379 3.332 20 5 CGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)cc1 ZINC000449497622 373794013 /nfs/dbraw/zinc/79/40/13/373794013.db2.gz ISGKNNJSEQNGCS-INIZCTEOSA-N 1 1 297.358 3.369 20 5 CGBDMO COC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449760105 373887884 /nfs/dbraw/zinc/88/78/84/373887884.db2.gz LWOXIKRVYYPHDO-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO COC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449760105 373887888 /nfs/dbraw/zinc/88/78/88/373887888.db2.gz LWOXIKRVYYPHDO-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000449735712 373862957 /nfs/dbraw/zinc/86/29/57/373862957.db2.gz UOCIKASZKALRFH-OAHLLOKOSA-N 1 1 292.404 3.314 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000302745627 373950876 /nfs/dbraw/zinc/95/08/76/373950876.db2.gz PKUHIKAWISVWPB-LLVKDONJSA-N 1 1 288.269 3.369 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000302745627 373950885 /nfs/dbraw/zinc/95/08/85/373950885.db2.gz PKUHIKAWISVWPB-LLVKDONJSA-N 1 1 288.269 3.369 20 5 CGBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302781543 373959852 /nfs/dbraw/zinc/95/98/52/373959852.db2.gz RXEZGYVWBFNWAK-JQWIXIFHSA-N 1 1 297.786 3.025 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCO1 ZINC000182100462 374218904 /nfs/dbraw/zinc/21/89/04/374218904.db2.gz IZQXOIUGVICECI-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCO1 ZINC000182100462 374218909 /nfs/dbraw/zinc/21/89/09/374218909.db2.gz IZQXOIUGVICECI-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCOCC1CC1 ZINC000182842117 374334568 /nfs/dbraw/zinc/33/45/68/374334568.db2.gz KMKPKBOAZJZBGS-ZDUSSCGKSA-N 1 1 292.379 3.323 20 5 CGBDMO COc1cc(C)[nH+]c(Cn2ccc3c2cccc3[N+](=O)[O-])c1 ZINC000317293639 374338732 /nfs/dbraw/zinc/33/87/32/374338732.db2.gz GCXRLBNBCSFRTC-UHFFFAOYSA-N 1 1 297.314 3.310 20 5 CGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330663248 374488749 /nfs/dbraw/zinc/48/87/49/374488749.db2.gz SWPQALYHOTUVJW-DGCLKSJQSA-N 1 1 278.352 3.366 20 5 CGBDMO CCC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC1CC1 ZINC000184226768 374506394 /nfs/dbraw/zinc/50/63/94/374506394.db2.gz RLIKMDJUICDARW-UHFFFAOYSA-N 1 1 296.342 3.365 20 5 CGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331467494 374534986 /nfs/dbraw/zinc/53/49/86/374534986.db2.gz KBKILMDFQBTVHA-MNOVXSKESA-N 1 1 288.351 3.234 20 5 CGBDMO CC[C@@]1(C)CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000464782274 374899209 /nfs/dbraw/zinc/89/92/09/374899209.db2.gz WLUDJJZKGGUNRU-INIZCTEOSA-N 1 1 292.379 3.486 20 5 CGBDMO COc1ccc(C[N@H+]2CCCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000187954017 375125830 /nfs/dbraw/zinc/12/58/30/375125830.db2.gz GKPMVVDZVVQJTL-GFCCVEGCSA-N 1 1 278.352 3.225 20 5 CGBDMO CCC(CC)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000507159967 375681031 /nfs/dbraw/zinc/68/10/31/375681031.db2.gz JZYQMHABARUICY-UHFFFAOYSA-N 1 1 250.342 3.463 20 5 CGBDMO CCC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000336850229 376011412 /nfs/dbraw/zinc/01/14/12/376011412.db2.gz WOTHTCZZAYHVPK-CJNGLKHVSA-N 1 1 293.411 3.223 20 5 CGBDMO Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000538725952 376259630 /nfs/dbraw/zinc/25/96/30/376259630.db2.gz IWTIYAPSSGXFJM-AAEUAGOBSA-N 1 1 262.353 3.381 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000541771023 376481261 /nfs/dbraw/zinc/48/12/61/376481261.db2.gz LBUYFUDIPQMSHN-AAEUAGOBSA-N 1 1 262.353 3.381 20 5 CGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000543171872 376613991 /nfs/dbraw/zinc/61/39/91/376613991.db2.gz JSQIFMMCGDXVSZ-AWEZNQCLSA-N 1 1 290.363 3.262 20 5 CGBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000543860169 376684552 /nfs/dbraw/zinc/68/45/52/376684552.db2.gz RNXAFRJKJPDFMF-UWVGGRQHSA-N 1 1 268.744 3.479 20 5 CGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CC=CCC1 ZINC000544115806 376705259 /nfs/dbraw/zinc/70/52/59/376705259.db2.gz XEPRAABRAKNKPY-AWEZNQCLSA-N 1 1 290.363 3.262 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CCO3)CC2)c(Cl)c1 ZINC000558627069 377027183 /nfs/dbraw/zinc/02/71/83/377027183.db2.gz UPBRUADDCZZJQD-UHFFFAOYSA-N 1 1 296.754 3.003 20 5 CGBDMO CCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000563366064 377450805 /nfs/dbraw/zinc/45/08/05/377450805.db2.gz HTRJSTFDYJUURQ-UHFFFAOYSA-N 1 1 293.367 3.044 20 5 CGBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000090794941 249030028 /nfs/dbraw/zinc/03/00/28/249030028.db2.gz ZGLODDDZDZXXCE-VHSXEESVSA-N 1 1 283.759 3.143 20 5 CGBDMO COCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(C)C ZINC000092563274 249033969 /nfs/dbraw/zinc/03/39/69/249033969.db2.gz MIRLYIJDLIXIEX-SOFGYWHQSA-N 1 1 292.379 3.212 20 5 CGBDMO Cc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000314234516 249095384 /nfs/dbraw/zinc/09/53/84/249095384.db2.gz XJXWJHPGRJHADO-NWDGAFQWSA-N 1 1 293.342 3.081 20 5 CGBDMO CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000515178213 249203397 /nfs/dbraw/zinc/20/33/97/249203397.db2.gz IXJUXTDVNFVTKP-UHFFFAOYSA-N 1 1 250.342 3.258 20 5 CGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000573819595 377580357 /nfs/dbraw/zinc/58/03/57/377580357.db2.gz FKRFPNHKTNMMIP-AWEZNQCLSA-N 1 1 290.363 3.096 20 5 CGBDMO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1nccs1 ZINC000574414187 377661258 /nfs/dbraw/zinc/66/12/58/377661258.db2.gz LBUZSVRJZBLXJI-CABZTGNLSA-N 1 1 289.360 3.389 20 5 CGBDMO Cc1cc(N2CCC(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000264931452 377994344 /nfs/dbraw/zinc/99/43/44/377994344.db2.gz PNQCYTRVTZGJLD-UHFFFAOYSA-N 1 1 286.335 3.010 20 5 CGBDMO CSCCC[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000343657060 378056917 /nfs/dbraw/zinc/05/69/17/378056917.db2.gz KHWCTQRIPYRIHR-YVMONPNESA-N 1 1 280.393 3.293 20 5 CGBDMO CCC[N@H+]1CCC[C@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000343940188 378138561 /nfs/dbraw/zinc/13/85/61/378138561.db2.gz DKACSBOASVCVJN-JTQLQIEISA-N 1 1 299.321 3.159 20 5 CGBDMO CCCC[N@@H+](C)C[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579338687 378151305 /nfs/dbraw/zinc/15/13/05/378151305.db2.gz APFWCFVRWCRVER-KBPBESRZSA-N 1 1 293.411 3.366 20 5 CGBDMO CCCCN(C)C[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579338687 378151308 /nfs/dbraw/zinc/15/13/08/378151308.db2.gz APFWCFVRWCRVER-KBPBESRZSA-N 1 1 293.411 3.366 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCSCC1 ZINC000270516137 378361693 /nfs/dbraw/zinc/36/16/93/378361693.db2.gz DENLWLMXRVMQIF-NSHDSACASA-N 1 1 266.366 3.095 20 5 CGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC3(CCC3)C2)cc1 ZINC000348193485 378833104 /nfs/dbraw/zinc/83/31/04/378833104.db2.gz MYVRFZDCZFBKHU-UHFFFAOYSA-N 1 1 290.363 3.240 20 5 CGBDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000348245525 378861097 /nfs/dbraw/zinc/86/10/97/378861097.db2.gz KKQHREKSZVCEFB-SKDRFNHKSA-N 1 1 288.269 3.368 20 5 CGBDMO CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000348699025 379021970 /nfs/dbraw/zinc/02/19/70/379021970.db2.gz ABYXCSPLACYYIP-CQSZACIVSA-N 1 1 292.379 3.329 20 5 CGBDMO CC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000266552425 190266750 /nfs/dbraw/zinc/26/67/50/190266750.db2.gz USNFUKBTZKZCQM-FRRDWIJNSA-N 1 1 278.352 3.155 20 5 CGBDMO CC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000266552425 190266751 /nfs/dbraw/zinc/26/67/51/190266751.db2.gz USNFUKBTZKZCQM-FRRDWIJNSA-N 1 1 278.352 3.155 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3CCCC[C@H]32)cc1F ZINC000377760904 379733718 /nfs/dbraw/zinc/73/37/18/379733718.db2.gz AXINOQSIRHIASW-DGCLKSJQSA-N 1 1 264.300 3.108 20 5 CGBDMO CCC(C)(C)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283454603 380062958 /nfs/dbraw/zinc/06/29/58/380062958.db2.gz YLHVOVQZTAYTGX-UHFFFAOYSA-N 1 1 293.367 3.044 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCSC[C@@H]2C2CCC2)cs1 ZINC000418130019 380709061 /nfs/dbraw/zinc/70/90/61/380709061.db2.gz UBQYNIPTUHHASG-GFCCVEGCSA-N 1 1 298.433 3.374 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCSC[C@@H]2C2CCC2)cs1 ZINC000418130019 380709064 /nfs/dbraw/zinc/70/90/64/380709064.db2.gz UBQYNIPTUHHASG-GFCCVEGCSA-N 1 1 298.433 3.374 20 5 CGBDMO C[C@H](C1CCC1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000357025903 380997493 /nfs/dbraw/zinc/99/74/93/380997493.db2.gz QFRCBHDURPNGHO-GFCCVEGCSA-N 1 1 278.352 3.094 20 5 CGBDMO CCCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000357550961 381205397 /nfs/dbraw/zinc/20/53/97/381205397.db2.gz IWDMHUKRFDAEOG-UHFFFAOYSA-N 1 1 278.352 3.368 20 5 CGBDMO CC1=C(C)C[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000361126337 381652966 /nfs/dbraw/zinc/65/29/66/381652966.db2.gz MYTFORIAUONWCS-UHFFFAOYSA-N 1 1 252.339 3.198 20 5 CGBDMO CC1=C(C)C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000361126337 381652969 /nfs/dbraw/zinc/65/29/69/381652969.db2.gz MYTFORIAUONWCS-UHFFFAOYSA-N 1 1 252.339 3.198 20 5 CGBDMO CCCC[N@H+](C)CCN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000361400699 381733108 /nfs/dbraw/zinc/73/31/08/381733108.db2.gz RBOXHYSFCRGBBY-MRXNPFEDSA-N 1 1 293.411 3.367 20 5 CGBDMO CCCC[N@@H+](C)CCN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000361400699 381733120 /nfs/dbraw/zinc/73/31/20/381733120.db2.gz RBOXHYSFCRGBBY-MRXNPFEDSA-N 1 1 293.411 3.367 20 5 CGBDMO CO[C@]1(C)CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000366266336 533370212 /nfs/dbraw/zinc/37/02/12/533370212.db2.gz HUEILHAGFJMRAR-CYBMUJFWSA-N 1 1 284.381 3.047 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000050351983 392063392 /nfs/dbraw/zinc/06/33/92/392063392.db2.gz MTJDSAROJUMVGB-SNVBAGLBSA-N 1 1 295.770 3.144 20 5 CGBDMO CC[C@H](CSC)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000091098064 392230024 /nfs/dbraw/zinc/23/00/24/392230024.db2.gz UUAKSVWZSBEDFW-CYBMUJFWSA-N 1 1 282.409 3.211 20 5 CGBDMO COc1cc(C[N@@H+]2CC3CCC2CC3)c([N+](=O)[O-])cc1F ZINC000372062539 392580098 /nfs/dbraw/zinc/58/00/98/392580098.db2.gz IOWCWQJHGIWFAN-UHFFFAOYSA-N 1 1 294.326 3.117 20 5 CGBDMO COc1cc(C[N@H+]2CC3CCC2CC3)c([N+](=O)[O-])cc1F ZINC000372062539 392580100 /nfs/dbraw/zinc/58/01/00/392580100.db2.gz IOWCWQJHGIWFAN-UHFFFAOYSA-N 1 1 294.326 3.117 20 5 CGBDMO CCCC[N@@H+](CCCO)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271700573 393253436 /nfs/dbraw/zinc/25/34/36/393253436.db2.gz HHSNQICXQMFEPP-ZDUSSCGKSA-N 1 1 280.368 3.140 20 5 CGBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000471560943 393283787 /nfs/dbraw/zinc/28/37/87/393283787.db2.gz UJVYKFGJOUEAFV-TVQRCGJNSA-N 1 1 295.770 3.143 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)cc1 ZINC000356281765 393405896 /nfs/dbraw/zinc/40/58/96/393405896.db2.gz MMNFPZRKAZLXCO-OAHLLOKOSA-N 1 1 272.348 3.359 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000356281764 393406077 /nfs/dbraw/zinc/40/60/77/393406077.db2.gz MMNFPZRKAZLXCO-HNNXBMFYSA-N 1 1 272.348 3.359 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000430212129 393540337 /nfs/dbraw/zinc/54/03/37/393540337.db2.gz ZOCJIDKLDHQMPI-NEPJUHHUSA-N 1 1 278.352 3.081 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC(C)C ZINC000430197743 393538602 /nfs/dbraw/zinc/53/86/02/393538602.db2.gz PAKQSCAKDDAZOO-UHFFFAOYSA-N 1 1 266.341 3.081 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](C)OC ZINC000361021039 393646492 /nfs/dbraw/zinc/64/64/92/393646492.db2.gz CKVSCWHYHFZBOE-SNVBAGLBSA-N 1 1 286.759 3.105 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](C)OC ZINC000361021039 393646496 /nfs/dbraw/zinc/64/64/96/393646496.db2.gz CKVSCWHYHFZBOE-SNVBAGLBSA-N 1 1 286.759 3.105 20 5 CGBDMO CCOc1cc(C[N@H+]2CC[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000492626970 393765053 /nfs/dbraw/zinc/76/50/53/393765053.db2.gz BWOBDEJFEPRCRY-CQSZACIVSA-N 1 1 292.379 3.471 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)cs1 ZINC000449531331 393885688 /nfs/dbraw/zinc/88/56/88/393885688.db2.gz BLZQGVYAGOVUBU-GXTWGEPZSA-N 1 1 278.377 3.277 20 5 CGBDMO CC(C)C[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000552560275 289192750 /nfs/dbraw/zinc/19/27/50/289192750.db2.gz RCCKJGFDNVOFRZ-GFCCVEGCSA-N 1 1 262.353 3.388 20 5 CGBDMO C[C@@H](c1ccco1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000069065415 165048916 /nfs/dbraw/zinc/04/89/16/165048916.db2.gz DGEIMKQNDXZCIE-LBPRGKRZSA-N 1 1 290.319 3.260 20 5 CGBDMO CCCc1[nH+]ccn1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000070424472 165061176 /nfs/dbraw/zinc/06/11/76/165061176.db2.gz JCKKDIQXFAVVOO-UHFFFAOYSA-N 1 1 279.727 3.446 20 5 CGBDMO C[N@@H+](CCCCCF)Cc1ccccc1[N+](=O)[O-] ZINC000284302137 196024696 /nfs/dbraw/zinc/02/46/96/196024696.db2.gz ZFMNLEODOXAGEW-UHFFFAOYSA-N 1 1 254.305 3.166 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000284859758 196146614 /nfs/dbraw/zinc/14/66/14/196146614.db2.gz DCNMLJZFQGSBEG-JKSUJKDBSA-N 1 1 290.363 3.047 20 5 CGBDMO Cc1ncc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000285278833 196239764 /nfs/dbraw/zinc/23/97/64/196239764.db2.gz JHUFYYLSVNOCTF-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO Cc1noc(C)c1C(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000285636102 196351304 /nfs/dbraw/zinc/35/13/04/196351304.db2.gz ZAPKONVMWCZOJQ-UHFFFAOYSA-N 1 1 289.335 3.225 20 5 CGBDMO CCC[C@@H](NC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037267003 173077524 /nfs/dbraw/zinc/07/75/24/173077524.db2.gz ISDBGMYMUCLACX-MRXNPFEDSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[C@@H](C)C[N@@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC000530662349 270201613 /nfs/dbraw/zinc/20/16/13/270201613.db2.gz NFMLXAXTYCBJIV-GFCCVEGCSA-N 1 1 250.342 3.463 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000338956071 274302511 /nfs/dbraw/zinc/30/25/11/274302511.db2.gz HXDJOEWFDWRRIP-SECBINFHSA-N 1 1 288.269 3.455 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000530994533 288323004 /nfs/dbraw/zinc/32/30/04/288323004.db2.gz RZBABCAZYUVQBN-MRXNPFEDSA-N 1 1 282.343 3.412 20 5 CGBDMO CC(C)[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1CC1 ZINC000551970603 289144521 /nfs/dbraw/zinc/14/45/21/289144521.db2.gz YHIBXXWDKFMZND-UHFFFAOYSA-N 1 1 284.306 3.493 20 5 CGBDMO CC(C)[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1CC1 ZINC000551970603 289144522 /nfs/dbraw/zinc/14/45/22/289144522.db2.gz YHIBXXWDKFMZND-UHFFFAOYSA-N 1 1 284.306 3.493 20 5 CGBDMO CCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000566745686 322136758 /nfs/dbraw/zinc/13/67/58/322136758.db2.gz GVFKYCLFEYHXSF-UHFFFAOYSA-N 1 1 294.351 3.082 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000571806239 322308396 /nfs/dbraw/zinc/30/83/96/322308396.db2.gz NAFQMKGQUGZADW-AWEZNQCLSA-N 1 1 274.364 3.425 20 5 CGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CC3(F)CC3)C2)cc1 ZINC000583064856 329309536 /nfs/dbraw/zinc/30/95/36/329309536.db2.gz UMQGIUSXDFXOBE-CYBMUJFWSA-N 1 1 278.327 3.276 20 5 CGBDMO COc1cc(C[N@H+]2CC(C)(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000412041562 533797036 /nfs/dbraw/zinc/79/70/36/533797036.db2.gz LTCRUIFEOZFYLY-LLVKDONJSA-N 1 1 278.352 3.224 20 5 CGBDMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774311 519791115 /nfs/dbraw/zinc/79/11/15/519791115.db2.gz DEFQTFDMBHXXTF-SNVBAGLBSA-N 1 1 254.305 3.210 20 5 CGBDMO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000427831129 534622110 /nfs/dbraw/zinc/62/21/10/534622110.db2.gz ITHABBWEARFEMJ-NWDGAFQWSA-N 1 1 286.335 3.105 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@]1(C)CCCO ZINC000290484681 525564271 /nfs/dbraw/zinc/56/42/71/525564271.db2.gz OFODYAPIFRDJAQ-INIZCTEOSA-N 1 1 292.379 3.030 20 5 CGBDMO CC(C)[N@H+]1CCCC[C@H]1CSc1ncccc1[N+](=O)[O-] ZINC000412997253 529005248 /nfs/dbraw/zinc/00/52/48/529005248.db2.gz WQTDLLQJSWYSSK-LBPRGKRZSA-N 1 1 295.408 3.345 20 5 CGBDMO C[C@@H]1CCCCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000738226089 572367961 /nfs/dbraw/zinc/36/79/61/572367961.db2.gz JYWKZGDHZXWQDU-GFCCVEGCSA-N 1 1 288.351 3.167 20 5 CGBDMO CCO[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746675641 572891445 /nfs/dbraw/zinc/89/14/45/572891445.db2.gz UFBXONNUUQSTRS-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CCO[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746675641 572891450 /nfs/dbraw/zinc/89/14/50/572891450.db2.gz UFBXONNUUQSTRS-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[N@H+]1CCC[C@@H]1CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000036461530 618109317 /nfs/dbraw/zinc/10/93/17/618109317.db2.gz XKACJKSIMZKMJY-LLVKDONJSA-N 1 1 283.759 3.144 20 5 CGBDMO CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1CC1 ZINC000069238124 618630676 /nfs/dbraw/zinc/63/06/76/618630676.db2.gz OAKMEGOWQQLOOO-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000926492453 618711094 /nfs/dbraw/zinc/71/10/94/618711094.db2.gz ACMCEQFKDNLFLB-UWVGGRQHSA-N 1 1 291.307 3.003 20 5 CGBDMO COC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783658902 618915165 /nfs/dbraw/zinc/91/51/65/618915165.db2.gz ABRLCDRTEFRASS-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO CC(C)[N@@H+](C)C[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000312738146 619134237 /nfs/dbraw/zinc/13/42/37/619134237.db2.gz ULJXWDSLZZEXAO-NSHDSACASA-N 1 1 299.802 3.067 20 5 CGBDMO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 ZINC000093632671 619207329 /nfs/dbraw/zinc/20/73/29/619207329.db2.gz TZMHOURSEAVPIE-JTQLQIEISA-N 1 1 291.738 3.494 20 5 CGBDMO C[N@H+](Cc1ccsc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774293 619262694 /nfs/dbraw/zinc/26/26/94/619262694.db2.gz LACZQRAARUACSU-UHFFFAOYSA-N 1 1 280.324 3.427 20 5 CGBDMO C[N@@H+](Cc1ccsc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774293 619262697 /nfs/dbraw/zinc/26/26/97/619262697.db2.gz LACZQRAARUACSU-UHFFFAOYSA-N 1 1 280.324 3.427 20 5 CGBDMO CC(C)(/C=C\Cl)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000896747062 620055593 /nfs/dbraw/zinc/05/55/93/620055593.db2.gz JICXBQRVULTXTQ-WAYWQWQTSA-N 1 1 295.726 3.357 20 5 CGBDMO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245143 621637018 /nfs/dbraw/zinc/63/70/18/621637018.db2.gz IULCKNUHDKAGRP-QWRGUYRKSA-N 1 1 288.351 3.081 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1F ZINC000227401645 626079236 /nfs/dbraw/zinc/07/92/36/626079236.db2.gz LNZXNSDBKNTIAJ-TZMCWYRMSA-N 1 1 278.327 3.498 20 5 CGBDMO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC(C)(C)C1 ZINC000839663795 626772621 /nfs/dbraw/zinc/77/26/21/626772621.db2.gz KRHAZPUMTKCBJM-HNNXBMFYSA-N 1 1 292.379 3.139 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000761050402 627011062 /nfs/dbraw/zinc/01/10/62/627011062.db2.gz JQLMCYHABKVCGX-NSHDSACASA-N 1 1 288.269 3.287 20 5 CGBDMO Cc1nn(C[N@H+](C(C)C)C2CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764881152 627231655 /nfs/dbraw/zinc/23/16/55/627231655.db2.gz SIZDTKBRWMYOQP-UHFFFAOYSA-N 1 1 288.351 3.083 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(F)n2)cc1[N+](=O)[O-] ZINC000773087456 627854150 /nfs/dbraw/zinc/85/41/50/627854150.db2.gz MVWKDUMRNKMCOV-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCCCC1 ZINC000776575961 628219793 /nfs/dbraw/zinc/21/97/93/628219793.db2.gz XDMKXZCUCUEFCH-MRXNPFEDSA-N 1 1 292.379 3.140 20 5 CGBDMO CCC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587547 628222040 /nfs/dbraw/zinc/22/20/40/628222040.db2.gz WIOCZDQEGZYBSJ-CJNGLKHVSA-N 1 1 292.379 3.140 20 5 CGBDMO CO[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1C ZINC000784669054 628828311 /nfs/dbraw/zinc/82/83/11/628828311.db2.gz YECTUXNHVYCBLT-IINYFYTJSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1C ZINC000784669054 628828312 /nfs/dbraw/zinc/82/83/12/628828312.db2.gz YECTUXNHVYCBLT-IINYFYTJSA-N 1 1 298.770 3.105 20 5 CGBDMO CCc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000865787916 632891625 /nfs/dbraw/zinc/89/16/25/632891625.db2.gz VLPKQODTFBAWIV-UHFFFAOYSA-N 1 1 274.320 3.348 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](CF)C1 ZINC000880299782 635969678 /nfs/dbraw/zinc/96/96/78/635969678.db2.gz XSYPUCAFHBIJDC-NWDGAFQWSA-N 1 1 266.316 3.256 20 5 CGBDMO C[C@@]1(F)CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000830206755 633839027 /nfs/dbraw/zinc/83/90/27/633839027.db2.gz WNWVRZWVVVNTFF-OAHLLOKOSA-N 1 1 296.342 3.188 20 5 CGBDMO CCC(=O)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539416 633973339 /nfs/dbraw/zinc/97/33/39/633973339.db2.gz RFJJGBGXYSUDFP-AWEZNQCLSA-N 1 1 290.363 3.143 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccco1 ZINC000873007108 634231026 /nfs/dbraw/zinc/23/10/26/634231026.db2.gz GLTJGEIOPDVRIS-UHFFFAOYSA-N 1 1 260.293 3.094 20 5 CGBDMO CS[C@@H]1CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877563289 635091779 /nfs/dbraw/zinc/09/17/79/635091779.db2.gz LGGWXAAEALIUJH-GFCCVEGCSA-N 1 1 280.393 3.149 20 5 CGBDMO O=[N+]([O-])c1c(F)cccc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848784246 636657259 /nfs/dbraw/zinc/65/72/59/636657259.db2.gz VVWDESJEOPDSCV-TZMCWYRMSA-N 1 1 293.342 3.163 20 5 CGBDMO C[C@H]1CCC[C@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000885956316 637331051 /nfs/dbraw/zinc/33/10/51/637331051.db2.gz NDIPHEYIHKWLTL-AAEUAGOBSA-N 1 1 263.341 3.000 20 5 CGBDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886012619 637361396 /nfs/dbraw/zinc/36/13/96/637361396.db2.gz LHVUNJKERTWODJ-CZUORRHYSA-N 1 1 297.358 3.368 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC2(C1)CCCCC2 ZINC000886021388 637369066 /nfs/dbraw/zinc/36/90/66/637369066.db2.gz VHMMBXXKZJEMQP-UHFFFAOYSA-N 1 1 275.352 3.146 20 5 CGBDMO CC12CC(C1)C[N@@H+]2Cc1cc([N+](=O)[O-])ccc1Cl ZINC000852785969 637712585 /nfs/dbraw/zinc/71/25/85/637712585.db2.gz SADYREVMGPQTMW-UHFFFAOYSA-N 1 1 266.728 3.233 20 5 CGBDMO CC12CC(C1)C[N@H+]2Cc1cc([N+](=O)[O-])ccc1Cl ZINC000852785969 637712586 /nfs/dbraw/zinc/71/25/86/637712586.db2.gz SADYREVMGPQTMW-UHFFFAOYSA-N 1 1 266.728 3.233 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886834614 637712893 /nfs/dbraw/zinc/71/28/93/637712893.db2.gz AYCLVFYJPIILCT-XNRPHZJLSA-N 1 1 290.363 3.157 20 5 CGBDMO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ncco1 ZINC000926113686 638707983 /nfs/dbraw/zinc/70/79/83/638707983.db2.gz RQXDVODWNQWTPN-VIFPVBQESA-N 1 1 295.726 3.130 20 5 CGBDMO CCC[C@H](C)Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001161719549 806433633 /nfs/dbraw/zinc/43/36/33/806433633.db2.gz PQRDKNDNKQZYTH-AEZGRPFRSA-N 1 1 278.356 3.123 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001254560710 806451330 /nfs/dbraw/zinc/45/13/30/806451330.db2.gz WRULJSPMEQREJU-FZMZJTMJSA-N 1 1 296.317 3.257 20 5 CGBDMO C[C@@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1C ZINC001254595983 806457262 /nfs/dbraw/zinc/45/72/62/806457262.db2.gz ASPJBHTVGXNUED-IIYDPXPESA-N 1 1 288.391 3.430 20 5 CGBDMO CCC(CC)[N@@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603661 806459847 /nfs/dbraw/zinc/45/98/47/806459847.db2.gz PZCIUYBMRTYLQN-HNNXBMFYSA-N 1 1 262.353 3.182 20 5 CGBDMO C[C@@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000159419900 799074100 /nfs/dbraw/zinc/07/41/00/799074100.db2.gz IWJMTTCAOWSYFW-SECBINFHSA-N 1 1 299.168 3.199 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000159419900 799074109 /nfs/dbraw/zinc/07/41/09/799074109.db2.gz IWJMTTCAOWSYFW-SECBINFHSA-N 1 1 299.168 3.199 20 5 CGBDMO CO[C@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000687218918 799737028 /nfs/dbraw/zinc/73/70/28/799737028.db2.gz HEQSPXASHHGTRC-JQWIXIFHSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000687218918 799737031 /nfs/dbraw/zinc/73/70/31/799737031.db2.gz HEQSPXASHHGTRC-JQWIXIFHSA-N 1 1 298.770 3.248 20 5 CGBDMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC001168423731 807410161 /nfs/dbraw/zinc/41/01/61/807410161.db2.gz PNZUMRQDCDILDW-ZDUSSCGKSA-N 1 1 292.379 3.342 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC001169011982 807553047 /nfs/dbraw/zinc/55/30/47/807553047.db2.gz OGFWINLEZPWAGT-WQVCFCJDSA-N 1 1 292.354 3.408 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2c2ccccc2F)C1 ZINC001169035742 807555844 /nfs/dbraw/zinc/55/58/44/807555844.db2.gz LNXHEVSQAHPFLL-DVOMOZLQSA-N 1 1 292.354 3.408 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001169029566 807556299 /nfs/dbraw/zinc/55/62/99/807556299.db2.gz UJMBSZGOSGSCQA-DJIMGWMZSA-N 1 1 288.391 3.311 20 5 CGBDMO CC[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001169494461 807652446 /nfs/dbraw/zinc/65/24/46/807652446.db2.gz KMJUYJFWNJUGKV-ZIAGYGMSSA-N 1 1 292.379 3.484 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCC3(CC3)C1)CC2 ZINC001172902338 808475928 /nfs/dbraw/zinc/47/59/28/808475928.db2.gz ARDAMFPFQUBDFJ-HNNXBMFYSA-N 1 1 286.375 3.328 20 5 CGBDMO CC[N@@H+](Cc1ccccn1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173232896 808542437 /nfs/dbraw/zinc/54/24/37/808542437.db2.gz JBDYFUNSBKSNEO-AWEZNQCLSA-N 1 1 299.374 3.443 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCC1CC1 ZINC001173232733 808542717 /nfs/dbraw/zinc/54/27/17/808542717.db2.gz HMFMYZSIORGQCH-LBPRGKRZSA-N 1 1 262.353 3.258 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)CC12CC2 ZINC001173233230 808543268 /nfs/dbraw/zinc/54/32/68/808543268.db2.gz UUHPPNAKJIJWEK-OLZOCXBDSA-N 1 1 274.364 3.400 20 5 CGBDMO CC[N@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)CC1CC1 ZINC001204922807 812776567 /nfs/dbraw/zinc/77/65/67/812776567.db2.gz DSPVTWFIVNOMKE-UHFFFAOYSA-N 1 1 262.353 3.444 20 5 CGBDMO O=[N+]([O-])c1cccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001226764847 817458015 /nfs/dbraw/zinc/45/80/15/817458015.db2.gz MQFCZMIUNORGJX-QGZVFWFLSA-N 1 1 298.342 3.248 20 5 CGBDMO Cc1[nH]c(CSc2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC001339835438 936387744 /nfs/dbraw/zinc/38/77/44/936387744.db2.gz OPOGCDLOGRBVQO-UHFFFAOYSA-N 1 1 263.322 3.227 20 5 CGBDMO COc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])o1 ZINC001352751997 937048539 /nfs/dbraw/zinc/04/85/39/937048539.db2.gz YPHRUCMFWNYAGJ-UHFFFAOYSA-N 1 1 290.319 3.221 20 5 CGBDMO Cc1c(C)c([N+](=O)[O-])ccc1OC1CC[NH+](CCF)CC1 ZINC001229884038 928048699 /nfs/dbraw/zinc/04/86/99/928048699.db2.gz YUNIIPCRHFWNPO-UHFFFAOYSA-N 1 1 296.342 3.024 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(F)(C2CC2)CC1 ZINC001460903368 937551584 /nfs/dbraw/zinc/55/15/84/937551584.db2.gz KKUDUWUROWHGJR-UHFFFAOYSA-N 1 1 296.317 3.448 20 5 CGBDMO C[Si](C)(C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001307648797 932980087 /nfs/dbraw/zinc/98/00/87/932980087.db2.gz SUNBENZBPHXKRG-UHFFFAOYSA-N 1 1 278.428 3.437 20 5 CGBDMO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)(C)C ZINC001327951725 935102182 /nfs/dbraw/zinc/10/21/82/935102182.db2.gz JYCQZTAVUYPPGZ-UHFFFAOYSA-N 1 1 266.341 3.224 20 5 CGBDMO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001474412756 937858335 /nfs/dbraw/zinc/85/83/35/937858335.db2.gz FTAULALWOGVHLD-JSGCOSHPSA-N 1 1 292.379 3.211 20 5 CGBDMO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001474412756 937858336 /nfs/dbraw/zinc/85/83/36/937858336.db2.gz FTAULALWOGVHLD-JSGCOSHPSA-N 1 1 292.379 3.211 20 5 CGBDMO CCC[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001559632891 938231424 /nfs/dbraw/zinc/23/14/24/938231424.db2.gz RGSWWEZUBYZYQN-CQSZACIVSA-N 1 1 292.379 3.486 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000124744150 187151543 /nfs/dbraw/zinc/15/15/43/187151543.db2.gz VOKIPTZLHYCQHL-UHFFFAOYSA-N 1 1 297.358 3.197 20 5 CGBDMO Cc1ccc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)nc1 ZINC000590754645 346871468 /nfs/dbraw/zinc/87/14/68/346871468.db2.gz MLGUGLWMLBRSDZ-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO Cc1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)nc1 ZINC000590754645 346871470 /nfs/dbraw/zinc/87/14/70/346871470.db2.gz MLGUGLWMLBRSDZ-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO COc1ccc(C[N@@H+](C)[C@@H](C)CCSC)cc1[N+](=O)[O-] ZINC000126478849 187242723 /nfs/dbraw/zinc/24/27/23/187242723.db2.gz CORMVNTXIKDIMX-NSHDSACASA-N 1 1 298.408 3.177 20 5 CGBDMO CCCC[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000054174676 345130502 /nfs/dbraw/zinc/13/05/02/345130502.db2.gz IKUSKXAGYWVESW-UHFFFAOYSA-N 1 1 254.355 3.421 20 5 CGBDMO CC(C)[N@H+]1CCC[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000063738991 345252810 /nfs/dbraw/zinc/25/28/10/345252810.db2.gz LAZOILOXDZFPPB-CYBMUJFWSA-N 1 1 277.368 3.127 20 5 CGBDMO Cc1[nH+]ccn1CCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000078333174 345600714 /nfs/dbraw/zinc/60/07/14/345600714.db2.gz LNIPVZMUKVLRKQ-UHFFFAOYSA-N 1 1 294.742 3.255 20 5 CGBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000078562471 345612842 /nfs/dbraw/zinc/61/28/42/345612842.db2.gz UCRJCUYMYPABNS-AWEZNQCLSA-N 1 1 291.395 3.071 20 5 CGBDMO C[C@H]1CCCC[N@H+]1CCCCNc1ccc([N+](=O)[O-])cn1 ZINC000079926338 345659460 /nfs/dbraw/zinc/65/94/60/345659460.db2.gz MUISNFNCAGPSLX-ZDUSSCGKSA-N 1 1 292.383 3.056 20 5 CGBDMO CC[N@H+](Cc1ccoc1)Cc1cccc([N+](=O)[O-])c1 ZINC000102407705 345916004 /nfs/dbraw/zinc/91/60/04/345916004.db2.gz JPQYOXHBAWCFRF-UHFFFAOYSA-N 1 1 260.293 3.210 20 5 CGBDMO CC[N@@H+](Cc1ccoc1)Cc1cccc([N+](=O)[O-])c1 ZINC000102407705 345916008 /nfs/dbraw/zinc/91/60/08/345916008.db2.gz JPQYOXHBAWCFRF-UHFFFAOYSA-N 1 1 260.293 3.210 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000142162980 346110658 /nfs/dbraw/zinc/11/06/58/346110658.db2.gz RJOYWHGPTBBKQG-MRXNPFEDSA-N 1 1 283.331 3.327 20 5 CGBDMO C[C@H]([N@@H+](C)CCc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000177252871 232359907 /nfs/dbraw/zinc/35/99/07/232359907.db2.gz LJECJPRKKVHCCV-LBPRGKRZSA-N 1 1 262.353 3.258 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](C3CC3)C2)c(F)c1 ZINC000588978390 346779895 /nfs/dbraw/zinc/77/98/95/346779895.db2.gz YLTXSOGDQVOCAJ-NSHDSACASA-N 1 1 296.317 3.495 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](C3CC3)C2)c(F)c1 ZINC000588978390 346779897 /nfs/dbraw/zinc/77/98/97/346779897.db2.gz YLTXSOGDQVOCAJ-NSHDSACASA-N 1 1 296.317 3.495 20 5 CGBDMO Cc1noc(C[N@@H+](C)C[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000595308037 347290171 /nfs/dbraw/zinc/29/01/71/347290171.db2.gz YEJSUKMIHFCEJA-NSHDSACASA-N 1 1 289.335 3.127 20 5 CGBDMO Cc1noc(C[N@H+](C)C[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000595308037 347290177 /nfs/dbraw/zinc/29/01/77/347290177.db2.gz YEJSUKMIHFCEJA-NSHDSACASA-N 1 1 289.335 3.127 20 5 CGBDMO CC[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCS1 ZINC000595334215 347294159 /nfs/dbraw/zinc/29/41/59/347294159.db2.gz NQMROJNQEOXRLX-LBPRGKRZSA-N 1 1 284.356 3.061 20 5 CGBDMO CC[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCS1 ZINC000595334215 347294161 /nfs/dbraw/zinc/29/41/61/347294161.db2.gz NQMROJNQEOXRLX-LBPRGKRZSA-N 1 1 284.356 3.061 20 5 CGBDMO CC[C@]1(C)CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595346448 347295207 /nfs/dbraw/zinc/29/52/07/347295207.db2.gz WIPZPUFERJETAF-CQSZACIVSA-N 1 1 266.316 3.356 20 5 CGBDMO CS[C@H]1CCCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595386383 347297810 /nfs/dbraw/zinc/29/78/10/347297810.db2.gz DZFSNWZIQLXMGG-ZDUSSCGKSA-N 1 1 298.383 3.451 20 5 CGBDMO CC[C@H](C)[N@@H+](CC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595602904 347324986 /nfs/dbraw/zinc/32/49/86/347324986.db2.gz YAMQEJTZAUUZMB-LBPRGKRZSA-N 1 1 293.367 3.044 20 5 CGBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1(C)CCCC1 ZINC000595483616 347309897 /nfs/dbraw/zinc/30/98/97/347309897.db2.gz XEYZROMQBMXNDH-UHFFFAOYSA-N 1 1 266.316 3.498 20 5 CGBDMO Cc1noc(C[N@H+](C(C)C)C2CC(C)(C)C2)c1[N+](=O)[O-] ZINC000595523299 347315123 /nfs/dbraw/zinc/31/51/23/347315123.db2.gz QUQUYZFTEOSKAK-UHFFFAOYSA-N 1 1 281.356 3.290 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC000595567594 347320527 /nfs/dbraw/zinc/32/05/27/347320527.db2.gz UMEHSGIJPFGTNV-FZMZJTMJSA-N 1 1 264.300 3.108 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC000595567594 347320528 /nfs/dbraw/zinc/32/05/28/347320528.db2.gz UMEHSGIJPFGTNV-FZMZJTMJSA-N 1 1 264.300 3.108 20 5 CGBDMO CCCCC[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595870858 347368799 /nfs/dbraw/zinc/36/87/99/347368799.db2.gz KKXYSAGALRCLAA-AWEZNQCLSA-N 1 1 294.399 3.226 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000597159694 347542710 /nfs/dbraw/zinc/54/27/10/347542710.db2.gz QLCIUSPQNFZZNJ-PYMSSDGJSA-N 1 1 272.348 3.482 20 5 CGBDMO C/C=C/C[C@@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000599689267 347765854 /nfs/dbraw/zinc/76/58/54/347765854.db2.gz IKUHWKHVKYJUHP-AAOUONPWSA-N 1 1 279.340 3.069 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599164043 347722638 /nfs/dbraw/zinc/72/26/38/347722638.db2.gz IPMLQVHNSTYQIH-GFCCVEGCSA-N 1 1 293.342 3.163 20 5 CGBDMO CC(C)(F)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000601137128 347873630 /nfs/dbraw/zinc/87/36/30/347873630.db2.gz UBMXITFMVICLCV-UHFFFAOYSA-N 1 1 260.696 3.086 20 5 CGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H](F)C3)c2c1 ZINC000601160026 347876142 /nfs/dbraw/zinc/87/61/42/347876142.db2.gz PUSNPBCYFXJGDY-SNVBAGLBSA-N 1 1 275.283 3.081 20 5 CGBDMO C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000602020161 347934195 /nfs/dbraw/zinc/93/41/95/347934195.db2.gz JLIZXBANMCLILS-TZMCWYRMSA-N 1 1 291.395 3.024 20 5 CGBDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602783676 348028260 /nfs/dbraw/zinc/02/82/60/348028260.db2.gz KEASKYDCLNMIQE-TZMCWYRMSA-N 1 1 294.399 3.000 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1NCC[NH+]1Cc2ccccc2C1 ZINC000610468527 348383959 /nfs/dbraw/zinc/38/39/59/348383959.db2.gz LIHYZISURDFWEX-UHFFFAOYSA-N 1 1 297.358 3.331 20 5 CGBDMO CC(C)[C@@H](C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581071 348391096 /nfs/dbraw/zinc/39/10/96/348391096.db2.gz GGZOGEUOQWPLLJ-SNVBAGLBSA-N 1 1 277.324 3.212 20 5 CGBDMO CC(C)[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580943 348391288 /nfs/dbraw/zinc/39/12/88/348391288.db2.gz JXGNCKCMQUCCIB-CYBMUJFWSA-N 1 1 289.335 3.356 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611180546 348427235 /nfs/dbraw/zinc/42/72/35/348427235.db2.gz ZEQQMEYLPLZGFA-NXEZZACHSA-N 1 1 270.279 3.243 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501839 348456704 /nfs/dbraw/zinc/45/67/04/348456704.db2.gz ITZHMYBHXYTQQY-SUNKGSAMSA-N 1 1 266.316 3.336 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501839 348456705 /nfs/dbraw/zinc/45/67/05/348456705.db2.gz ITZHMYBHXYTQQY-SUNKGSAMSA-N 1 1 266.316 3.336 20 5 CGBDMO COc1cc(C[N@@H+](CC(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000351971829 219271374 /nfs/dbraw/zinc/27/13/74/219271374.db2.gz XKHQNJHDFFNFJK-UHFFFAOYSA-N 1 1 278.352 3.224 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCCCC2)c(Cl)c1 ZINC000122555845 187038005 /nfs/dbraw/zinc/03/80/05/187038005.db2.gz COBCARCWRMWVNL-UHFFFAOYSA-N 1 1 254.717 3.234 20 5 CGBDMO CCc1noc(C)c1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271784513 191324786 /nfs/dbraw/zinc/32/47/86/191324786.db2.gz SRWWGYDVVCSIOF-SNVBAGLBSA-N 1 1 289.335 3.304 20 5 CGBDMO Cc1c([C@H](C)NC[C@H]([NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000423243010 236007600 /nfs/dbraw/zinc/00/76/00/236007600.db2.gz MNJOONDSKAGNPO-BBRMVZONSA-N 1 1 299.374 3.254 20 5 CGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000426475298 236298145 /nfs/dbraw/zinc/29/81/45/236298145.db2.gz XVOKPRMQMJNIMA-BBRMVZONSA-N 1 1 290.363 3.238 20 5 CGBDMO Cc1c(C[N@H+]2CCCCC[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000342069207 216207486 /nfs/dbraw/zinc/20/74/86/216207486.db2.gz QTNZXIJAMCYWPH-OAHLLOKOSA-N 1 1 292.379 3.030 20 5 CGBDMO Cc1ncc(C[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000179381739 189190229 /nfs/dbraw/zinc/19/02/29/189190229.db2.gz OTQRIMLLUKEZRF-UHFFFAOYSA-N 1 1 291.376 3.300 20 5 CGBDMO Cc1ncc(C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000179381739 189190230 /nfs/dbraw/zinc/19/02/30/189190230.db2.gz OTQRIMLLUKEZRF-UHFFFAOYSA-N 1 1 291.376 3.300 20 5 CGBDMO CCC[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000301121010 200920354 /nfs/dbraw/zinc/92/03/54/200920354.db2.gz XUCHJVZGVCQVIE-ZDUSSCGKSA-N 1 1 277.368 3.047 20 5 CGBDMO CC[N@H+]1CCCC[C@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000301524622 201046768 /nfs/dbraw/zinc/04/67/68/201046768.db2.gz HCRCLVXMCQPJHZ-NSHDSACASA-N 1 1 281.331 3.020 20 5 CGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC1CCOCC1 ZINC000182394649 189322027 /nfs/dbraw/zinc/32/20/27/189322027.db2.gz KKEJXFKBOWWNJB-UHFFFAOYSA-N 1 1 298.770 3.107 20 5 CGBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C ZINC000301547822 201062788 /nfs/dbraw/zinc/06/27/88/201062788.db2.gz POCOXQLYYFZXIF-CQSZACIVSA-N 1 1 277.368 3.190 20 5 CGBDMO CC(C)C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000302008082 201296694 /nfs/dbraw/zinc/29/66/94/201296694.db2.gz WTQQQLXESXVDKA-CQSZACIVSA-N 1 1 291.395 3.375 20 5 CGBDMO CO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451540655 240321046 /nfs/dbraw/zinc/32/10/46/240321046.db2.gz GUPMSIVNIWWQMT-IINYFYTJSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451540655 240321052 /nfs/dbraw/zinc/32/10/52/240321052.db2.gz GUPMSIVNIWWQMT-IINYFYTJSA-N 1 1 298.770 3.105 20 5 CGBDMO CCOc1cc(C[N@H+]2CCCC3(CC3)C2)ccc1[N+](=O)[O-] ZINC000492886015 244044304 /nfs/dbraw/zinc/04/43/04/244044304.db2.gz DKFMKDZPAPSXOW-UHFFFAOYSA-N 1 1 290.363 3.370 20 5 CGBDMO Cc1ncc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000040997586 369167803 /nfs/dbraw/zinc/16/78/03/369167803.db2.gz BSXKLEABBSRZIZ-SECBINFHSA-N 1 1 277.349 3.211 20 5 CGBDMO CC1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000494192304 244269510 /nfs/dbraw/zinc/26/95/10/244269510.db2.gz QDIHKNRWEKTUQV-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO C[C@@H]1c2cccn2CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000051960213 369460169 /nfs/dbraw/zinc/46/01/69/369460169.db2.gz RPXGRWLVDUQQJI-CYBMUJFWSA-N 1 1 285.347 3.016 20 5 CGBDMO CCC(CC)[N@@H+](CCOC)Cc1ccccc1[N+](=O)[O-] ZINC000064806330 369660776 /nfs/dbraw/zinc/66/07/76/369660776.db2.gz PBISJCDBDXXMHG-UHFFFAOYSA-N 1 1 280.368 3.232 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCCO1 ZINC000066434540 369693999 /nfs/dbraw/zinc/69/39/99/369693999.db2.gz PTYJHMHTVUZIKE-MRXNPFEDSA-N 1 1 292.379 3.374 20 5 CGBDMO COCC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000070081033 369779204 /nfs/dbraw/zinc/77/92/04/369779204.db2.gz IKJBIYPMSNMFIH-UHFFFAOYSA-N 1 1 298.770 3.107 20 5 CGBDMO Cc1ccc(C[N@@H+](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000290320843 371962282 /nfs/dbraw/zinc/96/22/82/371962282.db2.gz CYRGQJMEWYXSKS-UHFFFAOYSA-N 1 1 286.331 3.241 20 5 CGBDMO CCC[C@H](NC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423220304 372039585 /nfs/dbraw/zinc/03/95/85/372039585.db2.gz XZBVGMMVVLPLOX-BBRMVZONSA-N 1 1 291.395 3.025 20 5 CGBDMO CC[C@@H]([NH2+][C@@H](C)c1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000161607532 372340523 /nfs/dbraw/zinc/34/05/23/372340523.db2.gz UYUGOPBWYQCGPJ-SMDDNHRTSA-N 1 1 286.335 3.187 20 5 CGBDMO CC(C)[C@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000293325280 372356237 /nfs/dbraw/zinc/35/62/37/372356237.db2.gz XTAVVFWLPDFBKM-CZUORRHYSA-N 1 1 292.379 3.403 20 5 CGBDMO CCc1noc(C)c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000293700383 372453393 /nfs/dbraw/zinc/45/33/93/372453393.db2.gz MBLOYFJTJHEQOZ-JTQLQIEISA-N 1 1 289.335 3.304 20 5 CGBDMO C[C@H]1[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000432143997 372540219 /nfs/dbraw/zinc/54/02/19/372540219.db2.gz TYVJXHJHYFFWIF-GXSJLCMTSA-N 1 1 283.759 3.143 20 5 CGBDMO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC(C)C ZINC000170908149 372680427 /nfs/dbraw/zinc/68/04/27/372680427.db2.gz CBKKPPHKPOMLLM-UHFFFAOYSA-N 1 1 254.305 3.212 20 5 CGBDMO CC(C)[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000438349096 372934639 /nfs/dbraw/zinc/93/46/39/372934639.db2.gz VHZUDYRVRRPKBQ-CQSZACIVSA-N 1 1 262.353 3.463 20 5 CGBDMO CO[C@@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295852380 372935211 /nfs/dbraw/zinc/93/52/11/372935211.db2.gz DQGXSESYTPLSAD-IUODEOHRSA-N 1 1 292.379 3.403 20 5 CGBDMO CC(C)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000446721160 373344402 /nfs/dbraw/zinc/34/44/02/373344402.db2.gz ZSUPEAJCCKJDMA-LLVKDONJSA-N 1 1 289.335 3.214 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000298759169 373399987 /nfs/dbraw/zinc/39/99/87/373399987.db2.gz KAJMUAZYSYJJOS-OAHLLOKOSA-N 1 1 271.320 3.260 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000177246061 373667014 /nfs/dbraw/zinc/66/70/14/373667014.db2.gz ZZUKHDCXMXLYRB-NSHDSACASA-N 1 1 278.352 3.224 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]2C2CC2)c(Cl)c1 ZINC000449423296 373693487 /nfs/dbraw/zinc/69/34/87/373693487.db2.gz AMYXBMRVKQVQMK-ZDUSSCGKSA-N 1 1 266.728 3.233 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]2C2CC2)c(Cl)c1 ZINC000449423296 373693493 /nfs/dbraw/zinc/69/34/93/373693493.db2.gz AMYXBMRVKQVQMK-ZDUSSCGKSA-N 1 1 266.728 3.233 20 5 CGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000449496829 373792098 /nfs/dbraw/zinc/79/20/98/373792098.db2.gz HPROMHCTDNGDMC-MRXNPFEDSA-N 1 1 297.358 3.369 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000303514424 374020862 /nfs/dbraw/zinc/02/08/62/374020862.db2.gz BXXJRHLVQXBPCP-ZDUSSCGKSA-N 1 1 295.358 3.410 20 5 CGBDMO CO[C@@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451548539 374202443 /nfs/dbraw/zinc/20/24/43/374202443.db2.gz RXFVISOBKYTHLW-SLEUVZQESA-N 1 1 278.352 3.013 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000330713199 374488277 /nfs/dbraw/zinc/48/82/77/374488277.db2.gz RFHBSMOFQDPUFX-CZUORRHYSA-N 1 1 292.379 3.321 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000330713199 374488285 /nfs/dbraw/zinc/48/82/85/374488285.db2.gz RFHBSMOFQDPUFX-CZUORRHYSA-N 1 1 292.379 3.321 20 5 CGBDMO CO[C@]1(C)CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330969111 374492762 /nfs/dbraw/zinc/49/27/62/374492762.db2.gz FQRMVTUIBIRWKW-CQSZACIVSA-N 1 1 298.770 3.249 20 5 CGBDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330969111 374492767 /nfs/dbraw/zinc/49/27/67/374492767.db2.gz FQRMVTUIBIRWKW-CQSZACIVSA-N 1 1 298.770 3.249 20 5 CGBDMO CCOc1cc(C[N@@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000331133711 374508237 /nfs/dbraw/zinc/50/82/37/374508237.db2.gz BWCMHVPEJUHXHG-UHFFFAOYSA-N 1 1 278.352 3.368 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331314221 374520879 /nfs/dbraw/zinc/52/08/79/374520879.db2.gz IEJJECSKKILQLM-SWLSCSKDSA-N 1 1 292.379 3.403 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331314221 374520885 /nfs/dbraw/zinc/52/08/85/374520885.db2.gz IEJJECSKKILQLM-SWLSCSKDSA-N 1 1 292.379 3.403 20 5 CGBDMO CC1(C)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332219174 374560884 /nfs/dbraw/zinc/56/08/84/374560884.db2.gz IQRSBYHDBAVZPU-UHFFFAOYSA-N 1 1 288.351 3.093 20 5 CGBDMO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000472268765 375014162 /nfs/dbraw/zinc/01/41/62/375014162.db2.gz QHZCUHZCHDMHNR-GFCCVEGCSA-N 1 1 278.352 3.094 20 5 CGBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CC=CCC1 ZINC000507119582 375676485 /nfs/dbraw/zinc/67/64/85/375676485.db2.gz YKWBJWKNHSBULW-ZDUSSCGKSA-N 1 1 260.337 3.383 20 5 CGBDMO C[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000508975828 375767220 /nfs/dbraw/zinc/76/72/20/375767220.db2.gz GZTAINDEADCAAH-ZJUUUORDSA-N 1 1 284.306 3.351 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000508975828 375767223 /nfs/dbraw/zinc/76/72/23/375767223.db2.gz GZTAINDEADCAAH-ZJUUUORDSA-N 1 1 284.306 3.351 20 5 CGBDMO CC1(C)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336789951 375939654 /nfs/dbraw/zinc/93/96/54/375939654.db2.gz KGVFJSHPFZGBSU-UHFFFAOYSA-N 1 1 252.289 3.108 20 5 CGBDMO C[C@H]([N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000535085023 376026396 /nfs/dbraw/zinc/02/63/96/376026396.db2.gz QLOYUGCPACCDJR-NSHDSACASA-N 1 1 250.342 3.461 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c(F)c1 ZINC000336829436 375988386 /nfs/dbraw/zinc/98/83/86/375988386.db2.gz AJJNEIRDQWUNSI-IAQYHMDHSA-N 1 1 278.327 3.498 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000538711878 376257856 /nfs/dbraw/zinc/25/78/56/376257856.db2.gz CYRBAVDRDHMZOC-LLVKDONJSA-N 1 1 280.368 3.470 20 5 CGBDMO CCC[C@H](C)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000539383031 376306330 /nfs/dbraw/zinc/30/63/30/376306330.db2.gz WNWGBEASWGADFX-LBPRGKRZSA-N 1 1 262.353 3.389 20 5 CGBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000541390936 376444705 /nfs/dbraw/zinc/44/47/05/376444705.db2.gz WPIRZVNXUJHCBQ-ZDUSSCGKSA-N 1 1 262.353 3.463 20 5 CGBDMO CC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542927797 376593500 /nfs/dbraw/zinc/59/35/00/376593500.db2.gz GFNVYNVNUGMNNC-JTQLQIEISA-N 1 1 268.744 3.480 20 5 CGBDMO COc1ccc(F)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000339184844 376732497 /nfs/dbraw/zinc/73/24/97/376732497.db2.gz NJBPVGYCDGNKIM-UHFFFAOYSA-N 1 1 290.294 3.032 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@H](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000339672387 376798758 /nfs/dbraw/zinc/79/87/58/376798758.db2.gz APKHMJLPJARUIV-CQSZACIVSA-N 1 1 290.363 3.225 20 5 CGBDMO CO[C@@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245533035 376844198 /nfs/dbraw/zinc/84/41/98/376844198.db2.gz UXQDMTNVHZNKPE-GXTWGEPZSA-N 1 1 278.352 3.075 20 5 CGBDMO CCOC[C@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245537762 376844233 /nfs/dbraw/zinc/84/42/33/376844233.db2.gz YQCDJVZXLPFDON-KGLIPLIRSA-N 1 1 292.379 3.323 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000559636920 377093843 /nfs/dbraw/zinc/09/38/43/377093843.db2.gz QOBRUJVVRDAMQM-UHFFFAOYSA-N 1 1 295.342 3.279 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@H+](C)C2CCCC2)c1 ZINC000094659671 249042473 /nfs/dbraw/zinc/04/24/73/249042473.db2.gz ZYHHUSXTWGCHKB-UHFFFAOYSA-N 1 1 277.368 3.190 20 5 CGBDMO C[C@@H]1CCC[C@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000519001737 249290791 /nfs/dbraw/zinc/29/07/91/249290791.db2.gz RAHHKMFBFIDKFT-KGLIPLIRSA-N 1 1 292.379 3.484 20 5 CGBDMO C[C@H]1CCC[C@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000519001736 249291226 /nfs/dbraw/zinc/29/12/26/249291226.db2.gz RAHHKMFBFIDKFT-KBPBESRZSA-N 1 1 292.379 3.484 20 5 CGBDMO CC1(C)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255884582 377784497 /nfs/dbraw/zinc/78/44/97/377784497.db2.gz XAEBBULZHCNNBA-ALCCZGGFSA-N 1 1 260.337 3.340 20 5 CGBDMO CC1(C)CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000343002001 377880287 /nfs/dbraw/zinc/88/02/87/377880287.db2.gz VCBAGBWCZYITOX-UHFFFAOYSA-N 1 1 278.352 3.238 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000374007647 379361985 /nfs/dbraw/zinc/36/19/85/379361985.db2.gz JQDYONXQBBGVPO-LLVKDONJSA-N 1 1 290.294 3.316 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC000352607819 379874570 /nfs/dbraw/zinc/87/45/70/379874570.db2.gz AHVWPLCWRNQSGH-UHFFFAOYSA-N 1 1 252.289 3.108 20 5 CGBDMO C[C@H]1CCCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000360601393 381590134 /nfs/dbraw/zinc/59/01/34/381590134.db2.gz XHQCBUCTPBSYCI-NSHDSACASA-N 1 1 266.316 3.356 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H](C)C1 ZINC000360601418 381590188 /nfs/dbraw/zinc/59/01/88/381590188.db2.gz XJESFIZEVQCUEN-LBPRGKRZSA-N 1 1 278.352 3.225 20 5 CGBDMO Cc1ccncc1C[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000361424208 381741595 /nfs/dbraw/zinc/74/15/95/381741595.db2.gz YQZRPDLZSOMDNJ-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1ccncc1C[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000361424208 381741600 /nfs/dbraw/zinc/74/16/00/381741600.db2.gz YQZRPDLZSOMDNJ-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000289317629 197295204 /nfs/dbraw/zinc/29/52/04/197295204.db2.gz FIQAGXRTDFOUSN-UHFFFAOYSA-N 1 1 274.320 3.171 20 5 CGBDMO C[C@H](CF)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000288499171 197095782 /nfs/dbraw/zinc/09/57/82/197095782.db2.gz RTJYVQMIFIZSAC-SNVBAGLBSA-N 1 1 278.283 3.302 20 5 CGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1sccc1[N+](=O)[O-] ZINC000302003284 542414087 /nfs/dbraw/zinc/41/40/87/542414087.db2.gz TXABPAOYWWMXBC-QWRGUYRKSA-N 1 1 283.397 3.189 20 5 CGBDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000362442294 392415799 /nfs/dbraw/zinc/41/57/99/392415799.db2.gz WDCXUUOXTCEXAU-QWRGUYRKSA-N 1 1 266.316 3.354 20 5 CGBDMO CC(C)[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000291238437 392458016 /nfs/dbraw/zinc/45/80/16/392458016.db2.gz LABFURJPTZVFSM-LBPRGKRZSA-N 1 1 298.770 3.248 20 5 CGBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000301080177 392584513 /nfs/dbraw/zinc/58/45/13/392584513.db2.gz SUNLBNUZKJCMNE-KRWDZBQOSA-N 1 1 297.358 3.088 20 5 CGBDMO O=[N+]([O-])c1ccccc1CCNc1[nH]c2ccccc2[nH+]1 ZINC000301894187 392600420 /nfs/dbraw/zinc/60/04/20/392600420.db2.gz SRHGXIZXZIIAIT-UHFFFAOYSA-N 1 1 282.303 3.126 20 5 CGBDMO CCCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000505842421 392700719 /nfs/dbraw/zinc/70/07/19/392700719.db2.gz JHJLNCNDWWHDAV-UHFFFAOYSA-N 1 1 266.341 3.225 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505867145 392703290 /nfs/dbraw/zinc/70/32/90/392703290.db2.gz DSFAUVHNQRSIMM-LLVKDONJSA-N 1 1 266.316 3.356 20 5 CGBDMO CC(C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000193719601 392884055 /nfs/dbraw/zinc/88/40/55/392884055.db2.gz PXKTZEBVWJETSD-UHFFFAOYSA-N 1 1 293.323 3.123 20 5 CGBDMO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC(C)C ZINC000519906111 392902453 /nfs/dbraw/zinc/90/24/53/392902453.db2.gz ISDQBBPWNMKFJF-UHFFFAOYSA-N 1 1 280.368 3.471 20 5 CGBDMO COc1ccc(C[N@H+]2CC[C@H](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000546123931 393034526 /nfs/dbraw/zinc/03/45/26/393034526.db2.gz DXUUEQOEPNYFCZ-LBPRGKRZSA-N 1 1 292.379 3.471 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000466733619 393054197 /nfs/dbraw/zinc/05/41/97/393054197.db2.gz VQNNOGOGIBJCAQ-ZDUSSCGKSA-N 1 1 292.379 3.471 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCSC1 ZINC000470180401 393231357 /nfs/dbraw/zinc/23/13/57/393231357.db2.gz MPKUYIAAZINNQJ-LDCOFTPGSA-N 1 1 292.404 3.435 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000430212130 393540721 /nfs/dbraw/zinc/54/07/21/393540721.db2.gz ZOCJIDKLDHQMPI-NWDGAFQWSA-N 1 1 278.352 3.081 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H](C)C1 ZINC000430209009 393538995 /nfs/dbraw/zinc/53/89/95/393538995.db2.gz WFVQXJLFSPDOLG-GFCCVEGCSA-N 1 1 278.352 3.225 20 5 CGBDMO Cc1c(C[N@H+]2CC(C)=C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000430264471 393552657 /nfs/dbraw/zinc/55/26/57/393552657.db2.gz BHKNHLXVBDLSDR-LLVKDONJSA-N 1 1 260.337 3.301 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000491185803 393670598 /nfs/dbraw/zinc/67/05/98/393670598.db2.gz IOQQLGRJYBAFNC-RISCZKNCSA-N 1 1 260.337 3.388 20 5 CGBDMO C[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425423534 393695540 /nfs/dbraw/zinc/69/55/40/393695540.db2.gz UYPOXXKADJGNSL-VIFPVBQESA-N 1 1 299.168 3.342 20 5 CGBDMO C[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425423534 393695546 /nfs/dbraw/zinc/69/55/46/393695546.db2.gz UYPOXXKADJGNSL-VIFPVBQESA-N 1 1 299.168 3.342 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c(F)c1 ZINC000449531648 393885178 /nfs/dbraw/zinc/88/51/78/393885178.db2.gz BYIYLSHUHCZUEW-ZBFHGGJFSA-N 1 1 290.338 3.354 20 5 CGBDMO C[C@H](NCC[N@H+]1CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000453394936 394230442 /nfs/dbraw/zinc/23/04/42/394230442.db2.gz JMGOPDSTKWUYHK-ZDUSSCGKSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@H]([NH2+]CCN1CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000453394936 394230445 /nfs/dbraw/zinc/23/04/45/394230445.db2.gz JMGOPDSTKWUYHK-ZDUSSCGKSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000439477619 397703261 /nfs/dbraw/zinc/70/32/61/397703261.db2.gz KOEQZNVUSSXRAN-LLVKDONJSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000439477619 397703259 /nfs/dbraw/zinc/70/32/59/397703259.db2.gz KOEQZNVUSSXRAN-LLVKDONJSA-N 1 1 298.770 3.249 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCO[C@@H](C)C1 ZINC000245527019 292294997 /nfs/dbraw/zinc/29/49/97/292294997.db2.gz PQYSLPMXKXCPGH-QWHCGFSZSA-N 1 1 278.352 3.075 20 5 CGBDMO CCC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000069092347 165051329 /nfs/dbraw/zinc/05/13/29/165051329.db2.gz NBQIYGLPIPGCFE-JTQLQIEISA-N 1 1 290.323 3.048 20 5 CGBDMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000076066715 165111593 /nfs/dbraw/zinc/11/15/93/165111593.db2.gz YISCUKNXCHYDHY-CQSZACIVSA-N 1 1 280.393 3.168 20 5 CGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000092427549 165295391 /nfs/dbraw/zinc/29/53/91/165295391.db2.gz HPDPMVLFBKLTDO-VFADXPBXSA-N 1 1 290.363 3.109 20 5 CGBDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc([N+](=O)[O-])cc1F ZINC000020474759 171218723 /nfs/dbraw/zinc/21/87/23/171218723.db2.gz LAGMYDFBRAMTNB-LBPRGKRZSA-N 1 1 295.358 3.410 20 5 CGBDMO C[C@@H](NCC[NH+]1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000040767604 174398380 /nfs/dbraw/zinc/39/83/80/174398380.db2.gz YQMPNLMSQFWVBW-CQSZACIVSA-N 1 1 291.395 3.121 20 5 CGBDMO CCCC[N@H+](CC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103465861 270046022 /nfs/dbraw/zinc/04/60/22/270046022.db2.gz RQSOYWWYAVVTHL-UHFFFAOYSA-N 1 1 254.305 3.356 20 5 CGBDMO CCCC[N@@H+](CC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103465861 270046023 /nfs/dbraw/zinc/04/60/23/270046023.db2.gz RQSOYWWYAVVTHL-UHFFFAOYSA-N 1 1 254.305 3.356 20 5 CGBDMO C[C@H](C1CC1)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000520843041 270099250 /nfs/dbraw/zinc/09/92/50/270099250.db2.gz HMIFPGDADMMYCO-GFCCVEGCSA-N 1 1 290.363 3.237 20 5 CGBDMO CC[C@H]([NH2+]Cc1cnc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000397984809 288037197 /nfs/dbraw/zinc/03/71/97/288037197.db2.gz INXXQECYXIBGLW-AWEZNQCLSA-N 1 1 275.308 3.132 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451195944 281020337 /nfs/dbraw/zinc/02/03/37/281020337.db2.gz MNJPROMQMCFLFO-GHMZBOCLSA-N 1 1 252.289 3.008 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451195944 281020339 /nfs/dbraw/zinc/02/03/39/281020339.db2.gz MNJPROMQMCFLFO-GHMZBOCLSA-N 1 1 252.289 3.008 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000245526797 281022023 /nfs/dbraw/zinc/02/20/23/281022023.db2.gz PLCOJWHFAJPHQK-XJKSGUPXSA-N 1 1 290.363 3.077 20 5 CGBDMO CCc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000549407174 289042957 /nfs/dbraw/zinc/04/29/57/289042957.db2.gz CJVWDFSHIJRSKX-UHFFFAOYSA-N 1 1 288.347 3.425 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1NCc1c[nH+]c2n1CCCC2 ZINC000561351797 289635484 /nfs/dbraw/zinc/63/54/84/289635484.db2.gz PTYFHDJWKYANSR-UHFFFAOYSA-N 1 1 286.335 3.048 20 5 CGBDMO CCC[C@@H](NCCC[NH2+]CC)c1cccc([N+](=O)[O-])c1 ZINC000563700618 322007257 /nfs/dbraw/zinc/00/72/57/322007257.db2.gz JJOGXYMLZQQBMR-OAHLLOKOSA-N 1 1 279.384 3.025 20 5 CGBDMO Cc1ccc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000567353927 322160175 /nfs/dbraw/zinc/16/01/75/322160175.db2.gz ORQSOYBPFNYIQM-CYBMUJFWSA-N 1 1 290.363 3.047 20 5 CGBDMO Cc1ccc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000567353927 322160176 /nfs/dbraw/zinc/16/01/76/322160176.db2.gz ORQSOYBPFNYIQM-CYBMUJFWSA-N 1 1 290.363 3.047 20 5 CGBDMO CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000569585778 322251221 /nfs/dbraw/zinc/25/12/21/322251221.db2.gz PERZRZWEYDJRCN-KBPBESRZSA-N 1 1 293.411 3.366 20 5 CGBDMO CCCN(CC)C[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000569585778 322251222 /nfs/dbraw/zinc/25/12/22/322251222.db2.gz PERZRZWEYDJRCN-KBPBESRZSA-N 1 1 293.411 3.366 20 5 CGBDMO CC1(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000583000688 329300310 /nfs/dbraw/zinc/30/03/10/329300310.db2.gz TZCFTAJZACHIGL-UHFFFAOYSA-N 1 1 260.337 3.359 20 5 CGBDMO CC[N@H+]1CCC[C@@H](CNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000156248492 521618047 /nfs/dbraw/zinc/61/80/47/521618047.db2.gz DTUGTUWPWHTMSX-ZDUSSCGKSA-N 1 1 277.368 3.047 20 5 CGBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000459746800 536454430 /nfs/dbraw/zinc/45/44/30/536454430.db2.gz VDRJWGSYDBTTMF-UHFFFAOYSA-N 1 1 266.316 3.354 20 5 CGBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000459746800 536454434 /nfs/dbraw/zinc/45/44/34/536454434.db2.gz VDRJWGSYDBTTMF-UHFFFAOYSA-N 1 1 266.316 3.354 20 5 CGBDMO Cc1occc1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000740004567 572427667 /nfs/dbraw/zinc/42/76/67/572427667.db2.gz QVBIDBLMONGIPS-UHFFFAOYSA-N 1 1 280.711 3.439 20 5 CGBDMO CCCC[N@@H+](Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000746045177 572848239 /nfs/dbraw/zinc/84/82/39/572848239.db2.gz UHRFKPNLQWNSTJ-UHFFFAOYSA-N 1 1 280.372 3.184 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCSCC2)ccc1Cl ZINC000042443856 620882562 /nfs/dbraw/zinc/88/25/62/620882562.db2.gz ZKMUPYOAMZUDLB-UHFFFAOYSA-N 1 1 286.784 3.187 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCSCC2)ccc1Cl ZINC000042443856 620882564 /nfs/dbraw/zinc/88/25/64/620882564.db2.gz ZKMUPYOAMZUDLB-UHFFFAOYSA-N 1 1 286.784 3.187 20 5 CGBDMO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cncs1 ZINC000934203553 618532513 /nfs/dbraw/zinc/53/25/13/618532513.db2.gz YNGBLVGIXRJPMB-QMMMGPOBSA-N 1 1 281.312 3.041 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934779464 618688478 /nfs/dbraw/zinc/68/84/78/618688478.db2.gz SAJWCMFHXDWXGB-KYOSRNDESA-N 1 1 292.404 3.341 20 5 CGBDMO CC(C)CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178856951 619411383 /nfs/dbraw/zinc/41/13/83/619411383.db2.gz YBRICDULSOJCCW-MRXNPFEDSA-N 1 1 292.379 3.139 20 5 CGBDMO CC(C)CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178856937 619411555 /nfs/dbraw/zinc/41/15/55/619411555.db2.gz YBRICDULSOJCCW-INIZCTEOSA-N 1 1 292.379 3.139 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](CF)C1 ZINC000895572066 619851709 /nfs/dbraw/zinc/85/17/09/619851709.db2.gz DYZHANRUUJEDOZ-YRBHFNIASA-N 1 1 278.327 3.290 20 5 CGBDMO CC(C)(F)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000895691944 619870833 /nfs/dbraw/zinc/87/08/33/619870833.db2.gz QGNSPGRCBCWPDB-UHFFFAOYSA-N 1 1 260.696 3.086 20 5 CGBDMO CC(C)[N@H+]1CC[C@@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000045652501 622875685 /nfs/dbraw/zinc/87/56/85/622875685.db2.gz CHSVRSJIHDDVDH-LLVKDONJSA-N 1 1 283.759 3.143 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1F ZINC000227401638 623017772 /nfs/dbraw/zinc/01/77/72/623017772.db2.gz LNZXNSDBKNTIAJ-GXTWGEPZSA-N 1 1 278.327 3.498 20 5 CGBDMO Cc1nn(C[NH+]2CCC(C(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000172013435 623208200 /nfs/dbraw/zinc/20/82/00/623208200.db2.gz FQHCAVOXYZONLF-UHFFFAOYSA-N 1 1 294.399 3.124 20 5 CGBDMO CC(C)C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582550 628221063 /nfs/dbraw/zinc/22/10/63/628221063.db2.gz VESRHNFNICOZHC-JKSUJKDBSA-N 1 1 292.379 3.139 20 5 CGBDMO CCC[N@@H+](CC)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777956197 628313863 /nfs/dbraw/zinc/31/38/63/628313863.db2.gz FBJHHKKNHIZANB-UHFFFAOYSA-N 1 1 288.351 3.148 20 5 CGBDMO CCC[N@@H+](CC1CCCCC1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779859902 628438815 /nfs/dbraw/zinc/43/88/15/628438815.db2.gz MTMVALPIDSFVKI-UHFFFAOYSA-N 1 1 294.399 3.350 20 5 CGBDMO Cc1cc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000785836956 628890686 /nfs/dbraw/zinc/89/06/86/628890686.db2.gz JIHKQONQXBQREK-WDEREUQCSA-N 1 1 297.786 3.085 20 5 CGBDMO Cc1cc(N2C[C@H](C)[N@H+](C)C[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000785836956 628890687 /nfs/dbraw/zinc/89/06/87/628890687.db2.gz JIHKQONQXBQREK-WDEREUQCSA-N 1 1 297.786 3.085 20 5 CGBDMO CC[N@H+]1CCC[C@@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804393521 630525321 /nfs/dbraw/zinc/52/53/21/630525321.db2.gz KCQQFGPZLTYLLP-NSHDSACASA-N 1 1 297.786 3.392 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815600792 631804690 /nfs/dbraw/zinc/80/46/90/631804690.db2.gz FLOKJWYJPGMBJA-MRVPVSSYSA-N 1 1 295.726 3.274 20 5 CGBDMO COC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825293768 633342384 /nfs/dbraw/zinc/34/23/84/633342384.db2.gz ATYABEOGWXCEBP-GFCCVEGCSA-N 1 1 298.770 3.249 20 5 CGBDMO COC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825293768 633342388 /nfs/dbraw/zinc/34/23/88/633342388.db2.gz ATYABEOGWXCEBP-GFCCVEGCSA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@H]([NH2+][C@H]1C=CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085758 634010140 /nfs/dbraw/zinc/01/01/40/634010140.db2.gz QLHAHTLMFNMQNA-UWVGGRQHSA-N 1 1 250.273 3.103 20 5 CGBDMO CC(C)n1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000873183311 634273602 /nfs/dbraw/zinc/27/36/02/634273602.db2.gz DFYSALCEMRGYNV-LBPRGKRZSA-N 1 1 288.351 3.223 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844459823 635908431 /nfs/dbraw/zinc/90/84/31/635908431.db2.gz VBKVFOQKOCAEFU-TVYUQYBPSA-N 1 1 282.290 3.161 20 5 CGBDMO Cc1c(C[N@H+]2CCC[C@H](CF)C2)cccc1[N+](=O)[O-] ZINC000880231917 635944366 /nfs/dbraw/zinc/94/43/66/635944366.db2.gz BGXVCJZZZUKSMD-GFCCVEGCSA-N 1 1 266.316 3.085 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)O[NH+]=C(N)[C@@H]1C[C@H]1C ZINC000848517786 636584435 /nfs/dbraw/zinc/58/44/35/636584435.db2.gz GBVNZYZBVXVKDU-GBIKHYSHSA-N 1 1 277.324 3.119 20 5 CGBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000134969638 637059536 /nfs/dbraw/zinc/05/95/36/637059536.db2.gz CHENDRYZGQJKDP-ZJUUUORDSA-N 1 1 268.744 3.479 20 5 CGBDMO CCC1(CC)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886037179 637379349 /nfs/dbraw/zinc/37/93/49/637379349.db2.gz GOKIMGBYJOPJPT-UHFFFAOYSA-N 1 1 263.341 3.002 20 5 CGBDMO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886122463 637425222 /nfs/dbraw/zinc/42/52/22/637425222.db2.gz BJOJBKNJAMLORM-DOMZBBRYSA-N 1 1 275.352 3.002 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCCC2(CCCC2)C1 ZINC000886159986 637441737 /nfs/dbraw/zinc/44/17/37/637441737.db2.gz HOFJWLYMACUSIT-UHFFFAOYSA-N 1 1 275.352 3.146 20 5 CGBDMO CCCC[C@@H](C)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886211762 637459702 /nfs/dbraw/zinc/45/97/02/637459702.db2.gz XGWKWQTYPJSHIT-LLVKDONJSA-N 1 1 251.330 3.000 20 5 CGBDMO CC[C@H](C)[N@@H+](CC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852292969 637628405 /nfs/dbraw/zinc/62/84/05/637628405.db2.gz KDSQYWVWAFOVRA-JTQLQIEISA-N 1 1 254.305 3.354 20 5 CGBDMO C[C@@H](c1ccc(Cl)cc1)[N@H+](CC[N+](=O)[O-])C1CC1 ZINC000929889021 638959171 /nfs/dbraw/zinc/95/91/71/638959171.db2.gz HEJNHWPKAVSEKX-JTQLQIEISA-N 1 1 268.744 3.142 20 5 CGBDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](CC[N+](=O)[O-])C1CC1 ZINC000929889021 638959174 /nfs/dbraw/zinc/95/91/74/638959174.db2.gz HEJNHWPKAVSEKX-JTQLQIEISA-N 1 1 268.744 3.142 20 5 CGBDMO COC/C(C)=C/C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000930061893 638971774 /nfs/dbraw/zinc/97/17/74/638971774.db2.gz VDXCVFMQDHBTDN-UKTHLTGXSA-N 1 1 290.363 3.152 20 5 CGBDMO COC/C(C)=C/C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000930061893 638971775 /nfs/dbraw/zinc/97/17/75/638971775.db2.gz VDXCVFMQDHBTDN-UKTHLTGXSA-N 1 1 290.363 3.152 20 5 CGBDMO CO[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1C ZINC000189294065 640185448 /nfs/dbraw/zinc/18/54/48/640185448.db2.gz PRFQERPSQYLEMT-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1C ZINC000189294065 640185456 /nfs/dbraw/zinc/18/54/56/640185456.db2.gz PRFQERPSQYLEMT-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO CC(C)C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000094774646 640802598 /nfs/dbraw/zinc/80/25/98/640802598.db2.gz CFBWAHNHIIKHEG-UHFFFAOYSA-N 1 1 266.316 3.354 20 5 CGBDMO CC(C)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774479 640802780 /nfs/dbraw/zinc/80/27/80/640802780.db2.gz OTUZQYQGWMLJOI-UHFFFAOYSA-N 1 1 254.305 3.212 20 5 CGBDMO C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774168 640802874 /nfs/dbraw/zinc/80/28/74/640802874.db2.gz JHAURPVJXCNPPL-UHFFFAOYSA-N 1 1 274.295 3.366 20 5 CGBDMO CCCC[N@@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550589 806448038 /nfs/dbraw/zinc/44/80/38/806448038.db2.gz MNBBJZWWZWNQNC-LBPRGKRZSA-N 1 1 250.342 3.258 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCOC(C)(C)C1 ZINC001254561305 806450901 /nfs/dbraw/zinc/45/09/01/806450901.db2.gz GHZALFBMVFRISM-CYBMUJFWSA-N 1 1 292.379 3.027 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@H]3CCC[C@@H]31)C2 ZINC001254604008 806460251 /nfs/dbraw/zinc/46/02/51/806460251.db2.gz SAPNOXLRMDBGSQ-VUCTXSBTSA-N 1 1 286.375 3.327 20 5 CGBDMO C[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037910714 798879879 /nfs/dbraw/zinc/87/98/79/798879879.db2.gz KGQYYBFKPVGNTA-VIFPVBQESA-N 1 1 254.717 3.233 20 5 CGBDMO C[N@H+]1CCC[C@H](CCNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001163459541 806766537 /nfs/dbraw/zinc/76/65/37/806766537.db2.gz GRLGCTORSMUBLI-LLVKDONJSA-N 1 1 297.786 3.392 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000699209674 799857343 /nfs/dbraw/zinc/85/73/43/799857343.db2.gz SOJBCTNFVHQJRM-NXEZZACHSA-N 1 1 266.728 3.090 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000699209674 799857350 /nfs/dbraw/zinc/85/73/50/799857350.db2.gz SOJBCTNFVHQJRM-NXEZZACHSA-N 1 1 266.728 3.090 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](CF)C2)c1 ZINC000711477148 800062657 /nfs/dbraw/zinc/06/26/57/800062657.db2.gz PJGMSPWSPYVONN-SECBINFHSA-N 1 1 272.707 3.040 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](CF)C2)c1 ZINC000711477148 800062667 /nfs/dbraw/zinc/06/26/67/800062667.db2.gz PJGMSPWSPYVONN-SECBINFHSA-N 1 1 272.707 3.040 20 5 CGBDMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)CC[N@H+]1C ZINC000719597929 800244210 /nfs/dbraw/zinc/24/42/10/800244210.db2.gz GBLVTHHFBLTRDO-KWQFWETISA-N 1 1 285.294 3.037 20 5 CGBDMO CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001169009039 807551838 /nfs/dbraw/zinc/55/18/38/807551838.db2.gz UMPJDMGKDGGBNX-TZMCWYRMSA-N 1 1 254.374 3.086 20 5 CGBDMO CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040148 807557000 /nfs/dbraw/zinc/55/70/00/807557000.db2.gz YGQHAJYCZUMDRU-UKRRQHHQSA-N 1 1 280.343 3.093 20 5 CGBDMO C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CCc2ccccc21 ZINC001169053945 807561445 /nfs/dbraw/zinc/56/14/45/807561445.db2.gz KRSLMVRVEAZAAO-JGGQBBKZSA-N 1 1 274.364 3.051 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1C[C@H]3CC[C@@H]1C3)CC2 ZINC001172914515 808477560 /nfs/dbraw/zinc/47/75/60/808477560.db2.gz HFHREDVMURBOMP-VBNZEHGJSA-N 1 1 286.375 3.327 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](CF)C1 ZINC001173228846 808541406 /nfs/dbraw/zinc/54/14/06/808541406.db2.gz ZKEYYIKFCDWFGZ-JSGCOSHPSA-N 1 1 280.343 3.207 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC12CC2 ZINC001173229946 808542517 /nfs/dbraw/zinc/54/25/17/808542517.db2.gz WKLSJHJRXOPVBA-LBPRGKRZSA-N 1 1 260.337 3.154 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC2(CCC2)C1 ZINC001173233988 808543001 /nfs/dbraw/zinc/54/30/01/808543001.db2.gz NOPMPEXLNZHFFG-CYBMUJFWSA-N 1 1 274.364 3.402 20 5 CGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CC1(C)C ZINC001174908028 809196688 /nfs/dbraw/zinc/19/66/88/809196688.db2.gz WMJFRZIDYKOXLU-NSHDSACASA-N 1 1 266.316 3.212 20 5 CGBDMO C[C@]12CCCC[C@H]1C[N@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC001175103297 809272671 /nfs/dbraw/zinc/27/26/71/809272671.db2.gz IFSAIHZEZJCOGN-BBRMVZONSA-N 1 1 290.363 3.238 20 5 CGBDMO COc1ccc(Nc2c(C)cc[nH+]c2C)cc1[N+](=O)[O-] ZINC001176360932 809677194 /nfs/dbraw/zinc/67/71/94/809677194.db2.gz FGLJQNXNVYLATI-UHFFFAOYSA-N 1 1 273.292 3.359 20 5 CGBDMO CSCCC[N@@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001181153795 810041189 /nfs/dbraw/zinc/04/11/89/810041189.db2.gz HFSQSWVJOSEGIY-UHFFFAOYSA-N 1 1 282.409 3.397 20 5 CGBDMO CCCC[N@@H+](C)CCNc1cc(C)sc1[N+](=O)[O-] ZINC001185314706 810256183 /nfs/dbraw/zinc/25/61/83/810256183.db2.gz YZMQDRFIENRNMM-UHFFFAOYSA-N 1 1 271.386 3.109 20 5 CGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](C2CCC2)C1 ZINC001195148271 811216440 /nfs/dbraw/zinc/21/64/40/811216440.db2.gz UNNDMHJXISSELM-AWEZNQCLSA-N 1 1 290.363 3.096 20 5 CGBDMO Cc1cccc2[nH+]cc(Nc3cccc([N+](=O)[O-])c3F)n21 ZINC001210381341 814435041 /nfs/dbraw/zinc/43/50/41/814435041.db2.gz MUCKZOGCWQGANK-UHFFFAOYSA-N 1 1 286.266 3.434 20 5 CGBDMO CC[N@H+]1CCC[C@@H](Oc2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC001228570625 817941302 /nfs/dbraw/zinc/94/13/02/817941302.db2.gz GCJMMZVOFFEMNW-CQSZACIVSA-N 1 1 278.352 3.075 20 5 CGBDMO CC[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001459982442 937509369 /nfs/dbraw/zinc/50/93/69/937509369.db2.gz GXDOTFSDOIFWRM-GXTWGEPZSA-N 1 1 262.353 3.258 20 5 CGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC001229375918 932141848 /nfs/dbraw/zinc/14/18/48/932141848.db2.gz BPKNHGGOQWQMFL-GDNZZTSVSA-N 1 1 296.754 3.252 20 5 CGBDMO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001229880378 932497725 /nfs/dbraw/zinc/49/77/25/932497725.db2.gz BXIPMHGYQBQONG-BTTYYORXSA-N 1 1 290.363 3.216 20 5 CGBDMO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1CCC[N@H+](C)CC1 ZINC001230723600 932615087 /nfs/dbraw/zinc/61/50/87/932615087.db2.gz LZFFMIMYOQHFTN-ZDUSSCGKSA-N 1 1 278.352 3.075 20 5 CGBDMO C[C@H](N[C@@H]1CCCC[C@H]1[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001322643608 934325946 /nfs/dbraw/zinc/32/59/46/934325946.db2.gz SHZUMUFELFFLGH-APHBMKBZSA-N 1 1 291.395 3.118 20 5 CGBDMO Cc1cc(OCc2c(F)cccc2[N+](=O)[O-])cc[nH+]1 ZINC001324570544 934524563 /nfs/dbraw/zinc/52/45/63/934524563.db2.gz IKCXAIRZVAVYIR-UHFFFAOYSA-N 1 1 262.240 3.016 20 5 CGBDMO CC[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C ZINC001473403105 937805261 /nfs/dbraw/zinc/80/52/61/937805261.db2.gz QSJQWNYCAXIEGQ-GHMZBOCLSA-N 1 1 289.335 3.356 20 5 CGBDMO Cc1cc(OCc2cccc([N+](=O)[O-])c2C)cc[nH+]1 ZINC001325104539 934885913 /nfs/dbraw/zinc/88/59/13/934885913.db2.gz RMCMWMVUKLSUGL-UHFFFAOYSA-N 1 1 258.277 3.186 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC001473724232 937819156 /nfs/dbraw/zinc/81/91/56/937819156.db2.gz QETDNOPLCWSTEZ-BETUJISGSA-N 1 1 288.347 3.001 20 5 CGBDMO C[C@@H]([NH2+]Cc1cccc(F)c1N)c1ccccc1[N+](=O)[O-] ZINC001560578388 938263475 /nfs/dbraw/zinc/26/34/75/938263475.db2.gz OXIXMVKPYCPFRZ-SNVBAGLBSA-N 1 1 289.310 3.167 20 5 CGBDMO CC[C@H](NCC[N@H+](CC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000155868850 529600767 /nfs/dbraw/zinc/60/07/67/529600767.db2.gz XEZNBJJPXFCDOU-INIZCTEOSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[C@H](NCC[N@@H+](CC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000155868850 529600768 /nfs/dbraw/zinc/60/07/68/529600768.db2.gz XEZNBJJPXFCDOU-INIZCTEOSA-N 1 1 291.395 3.120 20 5 CGBDMO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266881287 282299559 /nfs/dbraw/zinc/29/95/59/282299559.db2.gz PMFCXNXMWXMTGH-GHMZBOCLSA-N 1 1 288.351 3.049 20 5 CGBDMO C[N@@H+](CCCCNc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000413350578 529883764 /nfs/dbraw/zinc/88/37/64/529883764.db2.gz XAXMZEQJVCARSS-UHFFFAOYSA-N 1 1 299.321 3.159 20 5 CGBDMO CC(C)C[N@@H+](C)CCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000593181787 347048746 /nfs/dbraw/zinc/04/87/46/347048746.db2.gz IERQFMYQZFHNCW-AWEZNQCLSA-N 1 1 293.411 3.223 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037404439 344950059 /nfs/dbraw/zinc/95/00/59/344950059.db2.gz FAPZDQVUKXQYOG-SNVBAGLBSA-N 1 1 295.770 3.144 20 5 CGBDMO CCCC[N@@H+](CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051266779 345088481 /nfs/dbraw/zinc/08/84/81/345088481.db2.gz LMWBQUDMFLSKJJ-UHFFFAOYSA-N 1 1 266.341 3.225 20 5 CGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C(C1CC1)C1CC1 ZINC000065243244 345270232 /nfs/dbraw/zinc/27/02/32/345270232.db2.gz DAKZKSIZJQPSPF-UHFFFAOYSA-N 1 1 274.364 3.258 20 5 CGBDMO CCCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000065537838 345274209 /nfs/dbraw/zinc/27/42/09/345274209.db2.gz QCELWQLINOUXBC-UHFFFAOYSA-N 1 1 278.352 3.238 20 5 CGBDMO Cc1c(C[N@@H+](C)Cc2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000080918267 345689089 /nfs/dbraw/zinc/68/90/89/345689089.db2.gz NXBOKHAUUWXGMI-UHFFFAOYSA-N 1 1 286.331 3.241 20 5 CGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccsc1 ZINC000120554889 345998037 /nfs/dbraw/zinc/99/80/37/345998037.db2.gz PNDLXOJSCMAUAP-UHFFFAOYSA-N 1 1 276.361 3.331 20 5 CGBDMO Cc1nc(C)c(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000314560605 346481841 /nfs/dbraw/zinc/48/18/41/346481841.db2.gz PPWJNIYVAMOYMR-SNVBAGLBSA-N 1 1 289.335 3.359 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1nccn1C ZINC000595108445 347285152 /nfs/dbraw/zinc/28/51/52/347285152.db2.gz PWVFBRWRPURJEH-VXGBXAGGSA-N 1 1 288.351 3.049 20 5 CGBDMO CCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccccc1 ZINC000595288482 347286631 /nfs/dbraw/zinc/28/66/31/347286631.db2.gz JTVBRKFWGQZSTL-UHFFFAOYSA-N 1 1 289.335 3.303 20 5 CGBDMO CCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccccc1 ZINC000595288482 347286634 /nfs/dbraw/zinc/28/66/34/347286634.db2.gz JTVBRKFWGQZSTL-UHFFFAOYSA-N 1 1 289.335 3.303 20 5 CGBDMO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595323479 347291701 /nfs/dbraw/zinc/29/17/01/347291701.db2.gz YTRJXGHHRIQEOB-ZJUUUORDSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595323479 347291702 /nfs/dbraw/zinc/29/17/02/347291702.db2.gz YTRJXGHHRIQEOB-ZJUUUORDSA-N 1 1 284.356 3.060 20 5 CGBDMO Cc1noc(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000595327996 347293334 /nfs/dbraw/zinc/29/33/34/347293334.db2.gz TXSFNASOSCXONP-YUSALJHKSA-N 1 1 279.340 3.044 20 5 CGBDMO CC[C@@H](C)[N@@H+](CC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595598868 347323579 /nfs/dbraw/zinc/32/35/79/347323579.db2.gz IJNPUHAODDQCBT-SNVBAGLBSA-N 1 1 254.305 3.354 20 5 CGBDMO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595779694 347355298 /nfs/dbraw/zinc/35/52/98/347355298.db2.gz GCAFCWWJVYKVLT-MNOVXSKESA-N 1 1 298.770 3.248 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595779694 347355302 /nfs/dbraw/zinc/35/53/02/347355302.db2.gz GCAFCWWJVYKVLT-MNOVXSKESA-N 1 1 298.770 3.248 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781952 347355322 /nfs/dbraw/zinc/35/53/22/347355322.db2.gz WZWSHPRJOKVGAF-RDBSUJKOSA-N 1 1 292.379 3.464 20 5 CGBDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595440742 347303646 /nfs/dbraw/zinc/30/36/46/347303646.db2.gz GTBIEDRJKVXHSW-MFKMUULPSA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@@H]1CCC(C)(C)[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595523563 347316075 /nfs/dbraw/zinc/31/60/75/347316075.db2.gz SUPZKZVIFVDJPT-SNVBAGLBSA-N 1 1 266.316 3.497 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000596091395 347382605 /nfs/dbraw/zinc/38/26/05/347382605.db2.gz JHMMVNIAXPVJAI-SNVBAGLBSA-N 1 1 295.770 3.205 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000596337661 347423153 /nfs/dbraw/zinc/42/31/53/347423153.db2.gz ZOAMFJUEEOTYCV-JTQLQIEISA-N 1 1 281.331 3.019 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000597159696 347542422 /nfs/dbraw/zinc/54/24/22/347542422.db2.gz QLCIUSPQNFZZNJ-QKNOVVFDSA-N 1 1 272.348 3.482 20 5 CGBDMO Cc1c(C[NH2+]Cc2cc(C3CC3)no2)cccc1[N+](=O)[O-] ZINC000602633361 347997734 /nfs/dbraw/zinc/99/77/34/347997734.db2.gz KLDVPQVZRZMQAD-UHFFFAOYSA-N 1 1 287.319 3.058 20 5 CGBDMO CC[C@]1(O)CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000602983405 348052457 /nfs/dbraw/zinc/05/24/57/348052457.db2.gz JRVWIAQQHGRFCD-CJNGLKHVSA-N 1 1 292.379 3.201 20 5 CGBDMO Cc1c(C[N@@H+]2CC(C)(C)OCC2(C)C)cccc1[N+](=O)[O-] ZINC000609672070 348350918 /nfs/dbraw/zinc/35/09/18/348350918.db2.gz WXTMPBZDJSKINR-UHFFFAOYSA-N 1 1 292.379 3.293 20 5 CGBDMO Cc1c(C[N@H+]2CC(C)(C)OCC2(C)C)cccc1[N+](=O)[O-] ZINC000609672070 348350921 /nfs/dbraw/zinc/35/09/21/348350921.db2.gz WXTMPBZDJSKINR-UHFFFAOYSA-N 1 1 292.379 3.293 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(OCC3CC3)CC2)cs1 ZINC000610372113 348380308 /nfs/dbraw/zinc/38/03/08/348380308.db2.gz VCRXSXZQLADWDA-UHFFFAOYSA-N 1 1 296.392 3.047 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000611271357 348434333 /nfs/dbraw/zinc/43/43/33/348434333.db2.gz VOTMQFVMRIJYJC-CQSZACIVSA-N 1 1 286.331 3.486 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(F)F)C1 ZINC000611179623 348427043 /nfs/dbraw/zinc/42/70/43/348427043.db2.gz GIEWCXPAIDEEOP-ONGXEEELSA-N 1 1 270.279 3.243 20 5 CGBDMO CCn1ccc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000616131676 348788954 /nfs/dbraw/zinc/78/89/54/348788954.db2.gz NAESPSQKCYCGGD-UHFFFAOYSA-N 1 1 273.336 3.048 20 5 CGBDMO O=[N+]([O-])c1ccc(CNc2ccc(C3CCC3)c[nH+]2)cc1 ZINC000339565128 215245526 /nfs/dbraw/zinc/24/55/26/215245526.db2.gz LXYGNXPYZPNJHI-UHFFFAOYSA-N 1 1 283.331 3.291 20 5 CGBDMO Cc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000044986091 137897356 /nfs/dbraw/zinc/89/73/56/137897356.db2.gz GLDWTLMNUDJLIH-LLVKDONJSA-N 1 1 275.308 3.050 20 5 CGBDMO Cn1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000154283669 188133795 /nfs/dbraw/zinc/13/37/95/188133795.db2.gz JCZLHLIROPLQQB-UHFFFAOYSA-N 1 1 285.347 3.098 20 5 CGBDMO CCc1noc(C)c1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000271685378 191275668 /nfs/dbraw/zinc/27/56/68/191275668.db2.gz QEDODLHSAYOCGB-JTQLQIEISA-N 1 1 289.335 3.304 20 5 CGBDMO C[C@H](NCC[C@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000271726164 191292835 /nfs/dbraw/zinc/29/28/35/191292835.db2.gz YTIHPTXLKGINAG-DZGCQCFKSA-N 1 1 291.395 3.120 20 5 CGBDMO CCn1cc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000271855656 191370290 /nfs/dbraw/zinc/37/02/90/191370290.db2.gz YIANERYNBAYYGO-VXGBXAGGSA-N 1 1 288.351 3.223 20 5 CGBDMO Cc1[nH+]cn(Cc2c(Cl)cccc2[N+](=O)[O-])c1C ZINC000129271507 138396969 /nfs/dbraw/zinc/39/69/69/138396969.db2.gz RCTNGBMJMKEHIJ-UHFFFAOYSA-N 1 1 265.700 3.110 20 5 CGBDMO Cc1c([C@@H](C)NC[C@H]([NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000423243012 236007651 /nfs/dbraw/zinc/00/76/51/236007651.db2.gz MNJOONDSKAGNPO-CJNGLKHVSA-N 1 1 299.374 3.254 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC(C)C ZINC000310990729 138583022 /nfs/dbraw/zinc/58/30/22/138583022.db2.gz VPAUPRJWLKLXSZ-UHFFFAOYSA-N 1 1 254.305 3.212 20 5 CGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC000341640125 216045776 /nfs/dbraw/zinc/04/57/76/216045776.db2.gz GYRBXVPWFOTRTH-UHFFFAOYSA-N 1 1 292.379 3.373 20 5 CGBDMO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297485120 200207033 /nfs/dbraw/zinc/20/70/33/200207033.db2.gz ZOBVIQWKNKAVQL-NWDGAFQWSA-N 1 1 288.351 3.223 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000301482803 201024543 /nfs/dbraw/zinc/02/45/43/201024543.db2.gz XLTSRXJMDOYJIY-OAHLLOKOSA-N 1 1 289.379 3.271 20 5 CGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCSC1 ZINC000182365844 189321797 /nfs/dbraw/zinc/32/17/97/189321797.db2.gz FYMIRAVDPSIBRJ-NSHDSACASA-N 1 1 286.784 3.186 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCSC1 ZINC000182365844 189321798 /nfs/dbraw/zinc/32/17/98/189321798.db2.gz FYMIRAVDPSIBRJ-NSHDSACASA-N 1 1 286.784 3.186 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000301614832 201097268 /nfs/dbraw/zinc/09/72/68/201097268.db2.gz UUVHIFDKJHZKGK-AWEZNQCLSA-N 1 1 291.395 3.293 20 5 CGBDMO Cc1c(C[N@@H+]2CCC[C@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000451120758 240222971 /nfs/dbraw/zinc/22/29/71/240222971.db2.gz LOZONCAUJILHJY-AWEZNQCLSA-N 1 1 266.316 3.227 20 5 CGBDMO Cc1c(C[N@H+]2CCC[C@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000451120758 240222974 /nfs/dbraw/zinc/22/29/74/240222974.db2.gz LOZONCAUJILHJY-AWEZNQCLSA-N 1 1 266.316 3.227 20 5 CGBDMO CS[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000451328363 240275012 /nfs/dbraw/zinc/27/50/12/240275012.db2.gz UOVFICJCPUHXPH-VIFPVBQESA-N 1 1 286.784 3.186 20 5 CGBDMO CS[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000451328363 240275016 /nfs/dbraw/zinc/27/50/16/240275016.db2.gz UOVFICJCPUHXPH-VIFPVBQESA-N 1 1 286.784 3.186 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH+]2CC(C3CCCC3)C2)c(F)c1 ZINC000459623849 242151727 /nfs/dbraw/zinc/15/17/27/242151727.db2.gz ZJFUHNNYPRSQNX-UHFFFAOYSA-N 1 1 278.327 3.356 20 5 CGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000459748454 242209129 /nfs/dbraw/zinc/20/91/29/242209129.db2.gz XCOOMKZBABABJE-UHFFFAOYSA-N 1 1 278.352 3.094 20 5 CGBDMO Cc1ccc(C[NH2+][C@@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000035009613 368988135 /nfs/dbraw/zinc/98/81/35/368988135.db2.gz VVXWZLGCTXSBIX-LBPRGKRZSA-N 1 1 271.320 3.149 20 5 CGBDMO C[N@@H+](CCCNc1ncccc1[N+](=O)[O-])C1CCCCC1 ZINC000037859952 369119248 /nfs/dbraw/zinc/11/92/48/369119248.db2.gz RPDNDLVKMDARQB-UHFFFAOYSA-N 1 1 292.383 3.056 20 5 CGBDMO CCOc1cc(C[N@H+]2C[C@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492764334 244020678 /nfs/dbraw/zinc/02/06/78/244020678.db2.gz CDMOCRJWASWGHM-TXEJJXNPSA-N 1 1 278.352 3.081 20 5 CGBDMO CCOc1cc(C[N@H+]2C[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492777715 244024086 /nfs/dbraw/zinc/02/40/86/244024086.db2.gz ZACJVPVWJMQURZ-NEPJUHHUSA-N 1 1 278.352 3.224 20 5 CGBDMO Cc1[nH+]cn(Cc2cc([N+](=O)[O-])ccc2Cl)c1C ZINC000051926915 369458302 /nfs/dbraw/zinc/45/83/02/369458302.db2.gz AVTMMKJTEZVWLB-UHFFFAOYSA-N 1 1 265.700 3.110 20 5 CGBDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000057622600 369544087 /nfs/dbraw/zinc/54/40/87/369544087.db2.gz GQCPOUXXSHIJHG-MRXNPFEDSA-N 1 1 285.347 3.270 20 5 CGBDMO CCCc1[nH+]ccn1Cc1cccc([N+](=O)[O-])c1C ZINC000070424309 369799460 /nfs/dbraw/zinc/79/94/60/369799460.db2.gz BPZBCHGCBZVHPA-UHFFFAOYSA-N 1 1 259.309 3.101 20 5 CGBDMO CCOC[C@@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000072976879 369846150 /nfs/dbraw/zinc/84/61/50/369846150.db2.gz QKJCVNWISIWJTC-UONOGXRCSA-N 1 1 292.379 3.404 20 5 CGBDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093558692 370140533 /nfs/dbraw/zinc/14/05/33/370140533.db2.gz IVZWOPYNCDMKIF-GFCCVEGCSA-N 1 1 282.409 3.477 20 5 CGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000511765707 245004777 /nfs/dbraw/zinc/00/47/77/245004777.db2.gz VQJWRVTVNQOZCM-XQRVVYSFSA-N 1 1 288.269 3.492 20 5 CGBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000511765707 245004779 /nfs/dbraw/zinc/00/47/79/245004779.db2.gz VQJWRVTVNQOZCM-XQRVVYSFSA-N 1 1 288.269 3.492 20 5 CGBDMO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000289645200 371781905 /nfs/dbraw/zinc/78/19/05/371781905.db2.gz DITYHUNTXMBLRP-CQSZACIVSA-N 1 1 292.379 3.374 20 5 CGBDMO Cc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nc1 ZINC000157287899 372014027 /nfs/dbraw/zinc/01/40/27/372014027.db2.gz PMKBBQQAARZYCO-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nc1 ZINC000157287899 372014031 /nfs/dbraw/zinc/01/40/31/372014031.db2.gz PMKBBQQAARZYCO-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO CC[N@@H+](C[C@H](C)OC)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000291264360 372149746 /nfs/dbraw/zinc/14/97/46/372149746.db2.gz PASQQGWUEJAHRJ-NWDGAFQWSA-N 1 1 266.341 3.013 20 5 CGBDMO C[C@@H]1[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000432143998 372540881 /nfs/dbraw/zinc/54/08/81/372540881.db2.gz TYVJXHJHYFFWIF-KOLCDFICSA-N 1 1 283.759 3.143 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295497929 372803124 /nfs/dbraw/zinc/80/31/24/372803124.db2.gz NQSMOQXOGZBUPW-CHWSQXEVSA-N 1 1 292.379 3.139 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000296156868 373039998 /nfs/dbraw/zinc/03/99/98/373039998.db2.gz UHMDNAVHSKSOSM-HNNXBMFYSA-N 1 1 292.379 3.150 20 5 CGBDMO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296224243 373057729 /nfs/dbraw/zinc/05/77/29/373057729.db2.gz ZXCIZAZXUGRERD-NEPJUHHUSA-N 1 1 288.351 3.223 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444596920 373209796 /nfs/dbraw/zinc/20/97/96/373209796.db2.gz OEVUFOSJFZXYNP-NSHDSACASA-N 1 1 288.351 3.093 20 5 CGBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000301280404 373727273 /nfs/dbraw/zinc/72/72/73/373727273.db2.gz JVBZXTBYKNJVOG-LLVKDONJSA-N 1 1 297.786 3.026 20 5 CGBDMO CCO[C@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000449493285 373786921 /nfs/dbraw/zinc/78/69/21/373786921.db2.gz LCAIRIWUILOHCX-BBRMVZONSA-N 1 1 292.379 3.150 20 5 CGBDMO Cc1cccc(NCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000302497198 373881120 /nfs/dbraw/zinc/88/11/20/373881120.db2.gz NAHPYGGVGLSUPW-CYBMUJFWSA-N 1 1 277.368 3.190 20 5 CGBDMO COC[C@@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449761543 373890006 /nfs/dbraw/zinc/89/00/06/373890006.db2.gz YMGXDKGPZQRIGC-VFADXPBXSA-N 1 1 290.363 3.109 20 5 CGBDMO C[C@H](C1CC1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182028415 374206323 /nfs/dbraw/zinc/20/63/23/374206323.db2.gz NDMNKVCWWJBQHO-SECBINFHSA-N 1 1 268.744 3.479 20 5 CGBDMO COC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000452045392 374214222 /nfs/dbraw/zinc/21/42/22/374214222.db2.gz XCHDOCRTZWGWRJ-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000452045392 374214230 /nfs/dbraw/zinc/21/42/30/374214230.db2.gz XCHDOCRTZWGWRJ-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO CCOCC[N@@H+](CC)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182770299 374324079 /nfs/dbraw/zinc/32/40/79/374324079.db2.gz DBEQFKBDNCGIJR-ZDUSSCGKSA-N 1 1 280.368 3.323 20 5 CGBDMO CC(C)[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331475147 374535347 /nfs/dbraw/zinc/53/53/47/374535347.db2.gz LESDWCVFQDSZFX-AWEZNQCLSA-N 1 1 288.351 3.092 20 5 CGBDMO CC(C)(C)CCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332663984 374585044 /nfs/dbraw/zinc/58/50/44/374585044.db2.gz DYKKOFDTXQKIHT-UHFFFAOYSA-N 1 1 277.368 3.174 20 5 CGBDMO Cc1ccc(C[N@H+](C)[C@@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000507252768 375692029 /nfs/dbraw/zinc/69/20/29/375692029.db2.gz NZLWXCBTGPVWPH-LBPRGKRZSA-N 1 1 250.342 3.380 20 5 CGBDMO CC[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336794132 375944122 /nfs/dbraw/zinc/94/41/22/375944122.db2.gz ZUYWQNLWQLHDMF-NSHDSACASA-N 1 1 252.289 3.108 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000536682447 376120697 /nfs/dbraw/zinc/12/06/97/376120697.db2.gz PLABYGUNDSFHKX-NEPJUHHUSA-N 1 1 278.352 3.224 20 5 CGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CC=CCC1 ZINC000541323673 376437823 /nfs/dbraw/zinc/43/78/23/376437823.db2.gz FMZWAYOJAZVWQY-AWEZNQCLSA-N 1 1 290.363 3.262 20 5 CGBDMO Cc1ccccc1C[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338887562 376560872 /nfs/dbraw/zinc/56/08/72/376560872.db2.gz NMUJNRPDPORDFA-UHFFFAOYSA-N 1 1 286.331 3.241 20 5 CGBDMO Cc1ccccc1C[N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338887562 376560876 /nfs/dbraw/zinc/56/08/76/376560876.db2.gz NMUJNRPDPORDFA-UHFFFAOYSA-N 1 1 286.331 3.241 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339670354 376799049 /nfs/dbraw/zinc/79/90/49/376799049.db2.gz BNZYQYQTHGQXCZ-LBPRGKRZSA-N 1 1 278.327 3.356 20 5 CGBDMO C[C@@H](NCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245463662 376822227 /nfs/dbraw/zinc/82/22/27/376822227.db2.gz OXALDIYOOSIOSX-UONOGXRCSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@@H](NCC[N@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245463662 376822234 /nfs/dbraw/zinc/82/22/34/376822234.db2.gz OXALDIYOOSIOSX-UONOGXRCSA-N 1 1 291.395 3.120 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1C=CCCC1 ZINC000558741357 377042489 /nfs/dbraw/zinc/04/24/89/377042489.db2.gz UIWYHKGIJOEPKL-CQSZACIVSA-N 1 1 260.337 3.178 20 5 CGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000092478168 249034244 /nfs/dbraw/zinc/03/42/44/249034244.db2.gz VQJWRVTVNQOZCM-GQCTYLIASA-N 1 1 288.269 3.492 20 5 CGBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000092478168 249034246 /nfs/dbraw/zinc/03/42/46/249034246.db2.gz VQJWRVTVNQOZCM-GQCTYLIASA-N 1 1 288.269 3.492 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](c3cccnc3)C2)cs1 ZINC000517560680 249267527 /nfs/dbraw/zinc/26/75/27/249267527.db2.gz SSOIDFVNPAPWDZ-CYBMUJFWSA-N 1 1 289.360 3.041 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCOC1 ZINC000342624015 377693589 /nfs/dbraw/zinc/69/35/89/377693589.db2.gz QMWDGYOGSXNKTG-OAHLLOKOSA-N 1 1 292.379 3.232 20 5 CGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000343011591 377882050 /nfs/dbraw/zinc/88/20/50/377882050.db2.gz UMBFJQVVYLQEMQ-INIZCTEOSA-N 1 1 290.363 3.238 20 5 CGBDMO Cc1ccoc1C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000271074910 378449116 /nfs/dbraw/zinc/44/91/16/378449116.db2.gz NZMXDCLORDBOGY-UHFFFAOYSA-N 1 1 260.293 3.128 20 5 CGBDMO Cc1ccoc1C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000271074910 378449121 /nfs/dbraw/zinc/44/91/21/378449121.db2.gz NZMXDCLORDBOGY-UHFFFAOYSA-N 1 1 260.293 3.128 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000272477213 378646206 /nfs/dbraw/zinc/64/62/06/378646206.db2.gz GEPBXJSBOUODIY-INWMFGNUSA-N 1 1 292.379 3.139 20 5 CGBDMO CCC[N@@H+](C)C[C@H]1CCN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000266216054 190240692 /nfs/dbraw/zinc/24/06/92/190240692.db2.gz OYCMLANHYCAVTP-CQSZACIVSA-N 1 1 291.395 3.071 20 5 CGBDMO Cc1ccc[nH+]c1NCc1ccc([N+](=O)[O-])cc1C ZINC000349905281 379442027 /nfs/dbraw/zinc/44/20/27/379442027.db2.gz LNDFLWUTRXKAEF-UHFFFAOYSA-N 1 1 257.293 3.219 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000377541907 379693995 /nfs/dbraw/zinc/69/39/95/379693995.db2.gz FICXCJQODUQMKV-ZDUSSCGKSA-N 1 1 264.300 3.108 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@H](C)C2CCC2)ccc1[N+](=O)[O-] ZINC000352769575 379949951 /nfs/dbraw/zinc/94/99/51/379949951.db2.gz NNWFAUCHQYOTDJ-LLVKDONJSA-N 1 1 278.352 3.224 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352779514 379954350 /nfs/dbraw/zinc/95/43/50/379954350.db2.gz PPLKPCUFPOSPPY-RYUDHWBXSA-N 1 1 278.352 3.081 20 5 CGBDMO C[N@@H+](CCCCF)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000286311621 380193183 /nfs/dbraw/zinc/19/31/83/380193183.db2.gz HCLKAMMRHOMIMD-UHFFFAOYSA-N 1 1 274.723 3.430 20 5 CGBDMO CC[C@@]1(C)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000354107358 380328338 /nfs/dbraw/zinc/32/83/38/380328338.db2.gz PTJCGMJOWVPINB-LBPRGKRZSA-N 1 1 254.355 3.278 20 5 CGBDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000357027804 380997699 /nfs/dbraw/zinc/99/76/99/380997699.db2.gz SWLZFVLKLJMYER-VIFPVBQESA-N 1 1 254.355 3.277 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000357555564 381208569 /nfs/dbraw/zinc/20/85/69/381208569.db2.gz VCLLFHPCXUISLP-WCQYABFASA-N 1 1 278.352 3.366 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCSC[C@H]2C2CCC2)cs1 ZINC000418130021 285086838 /nfs/dbraw/zinc/08/68/38/285086838.db2.gz UBQYNIPTUHHASG-LBPRGKRZSA-N 1 1 298.433 3.374 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCSC[C@H]2C2CCC2)cs1 ZINC000418130021 285086840 /nfs/dbraw/zinc/08/68/40/285086840.db2.gz UBQYNIPTUHHASG-LBPRGKRZSA-N 1 1 298.433 3.374 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CC[N@H+]([C@H]1C=CCCC1)C2 ZINC000533800568 288394913 /nfs/dbraw/zinc/39/49/13/288394913.db2.gz SKODHZQWVRCRTC-ZDUSSCGKSA-N 1 1 258.321 3.062 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000075020948 392214393 /nfs/dbraw/zinc/21/43/93/392214393.db2.gz NUYDLULKWLYAAP-AOOOYVTPSA-N 1 1 254.355 3.419 20 5 CGBDMO C[C@H]([NH2+]CC1(N(C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000105961350 392296694 /nfs/dbraw/zinc/29/66/94/392296694.db2.gz WGWMESMZRHTTQB-ZDUSSCGKSA-N 1 1 291.395 3.120 20 5 CGBDMO CC(C)CC[C@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331009811 392695731 /nfs/dbraw/zinc/69/57/31/392695731.db2.gz MXZGDVCPNAVARG-CYBMUJFWSA-N 1 1 294.399 3.119 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC23CCOCC3)c(Cl)c1 ZINC000375730481 392812952 /nfs/dbraw/zinc/81/29/52/392812952.db2.gz JMLSGODFNNRPER-UHFFFAOYSA-N 1 1 296.754 3.003 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC23CCOCC3)c(Cl)c1 ZINC000375730481 392812956 /nfs/dbraw/zinc/81/29/56/392812956.db2.gz JMLSGODFNNRPER-UHFFFAOYSA-N 1 1 296.754 3.003 20 5 CGBDMO C[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000339125597 392948738 /nfs/dbraw/zinc/94/87/38/392948738.db2.gz CYOKNKPXRHQHCW-ZDUSSCGKSA-N 1 1 292.379 3.110 20 5 CGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000466928002 393072796 /nfs/dbraw/zinc/07/27/96/393072796.db2.gz XXHTXXDALACTIH-OLZOCXBDSA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000268340632 393196276 /nfs/dbraw/zinc/19/62/76/393196276.db2.gz PDOHRMZHNCBXJU-UPJWGTAASA-N 1 1 260.337 3.388 20 5 CGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000481399896 393437622 /nfs/dbraw/zinc/43/76/22/393437622.db2.gz GAUQLIHJMKMOFB-WFASDCNBSA-N 1 1 262.353 3.258 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CC[C@@H]([NH3+])C(C)C ZINC000420285548 393450228 /nfs/dbraw/zinc/45/02/28/393450228.db2.gz FBPVKKLLKLZDRL-CZUORRHYSA-N 1 1 293.411 3.269 20 5 CGBDMO CC1=C[C@@H](C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000430264721 393552319 /nfs/dbraw/zinc/55/23/19/393552319.db2.gz SLJSNGPOSMVMPY-GFCCVEGCSA-N 1 1 260.337 3.035 20 5 CGBDMO CO[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000441342765 393736232 /nfs/dbraw/zinc/73/62/32/393736232.db2.gz UGECXUOIXCIXHM-QWRGUYRKSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000441342765 393736234 /nfs/dbraw/zinc/73/62/34/393736234.db2.gz UGECXUOIXCIXHM-QWRGUYRKSA-N 1 1 298.770 3.248 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000444647396 393790472 /nfs/dbraw/zinc/79/04/72/393790472.db2.gz FAEJAUOVWFNEIE-QWRGUYRKSA-N 1 1 288.351 3.092 20 5 CGBDMO CO[C@@H]1C[C@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000449636834 393931658 /nfs/dbraw/zinc/93/16/58/393931658.db2.gz XFRYUMDDKYCZJN-NWDGAFQWSA-N 1 1 296.392 3.046 20 5 CGBDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000449636834 393931661 /nfs/dbraw/zinc/93/16/61/393931661.db2.gz XFRYUMDDKYCZJN-NWDGAFQWSA-N 1 1 296.392 3.046 20 5 CGBDMO Cc1cnc(C(C)(C)[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000080346582 287064962 /nfs/dbraw/zinc/06/49/62/287064962.db2.gz BSBQAPDLBCNWCF-UHFFFAOYSA-N 1 1 291.376 3.385 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)C[N@H+](C)C(C)C ZINC000311430334 262250965 /nfs/dbraw/zinc/25/09/65/262250965.db2.gz MRINANVDWVQHIC-LBPRGKRZSA-N 1 1 265.357 3.044 20 5 CGBDMO C[C@@H](C1CC1)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000042123213 270031758 /nfs/dbraw/zinc/03/17/58/270031758.db2.gz BVXIACBSQCJFIN-NSHDSACASA-N 1 1 260.337 3.358 20 5 CGBDMO CC(C)C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000103465837 270045801 /nfs/dbraw/zinc/04/58/01/270045801.db2.gz UIZHQIVHSWVMGP-UHFFFAOYSA-N 1 1 266.316 3.354 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1([NH+](C)C)CCC1 ZINC000527102640 270125332 /nfs/dbraw/zinc/12/53/32/270125332.db2.gz AJQBPRGZURLPPZ-CYBMUJFWSA-N 1 1 291.395 3.038 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000482859625 274302590 /nfs/dbraw/zinc/30/25/90/274302590.db2.gz SHFXPMPUTXCNHL-NXEZZACHSA-N 1 1 268.744 3.479 20 5 CGBDMO CC[N@@H+](C[C@H]1CCCO1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000330727905 279231491 /nfs/dbraw/zinc/23/14/91/279231491.db2.gz MKMRDUCMTHWCSF-DZGCQCFKSA-N 1 1 292.379 3.465 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CCN(c1cc[nH+]cc1Cl)C2 ZINC000535246885 288445052 /nfs/dbraw/zinc/44/50/52/288445052.db2.gz KZEHGMHUEOVCMA-UHFFFAOYSA-N 1 1 289.722 3.206 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000555338550 289340139 /nfs/dbraw/zinc/34/01/39/289340139.db2.gz IEKGYNHMQAJOCM-UHFFFAOYSA-N 1 1 250.342 3.115 20 5 CGBDMO Cc1[nH+]ccn1CCCCSc1ncccc1[N+](=O)[O-] ZINC000157626607 321800091 /nfs/dbraw/zinc/80/00/91/321800091.db2.gz MWNMKABTEZLQCO-UHFFFAOYSA-N 1 1 292.364 3.067 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000572153254 322322341 /nfs/dbraw/zinc/32/23/41/322322341.db2.gz LNRRBAGTCCRRMF-INIZCTEOSA-N 1 1 298.342 3.248 20 5 CGBDMO CCCC[C@@H](CN)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423303761 528821779 /nfs/dbraw/zinc/82/17/79/528821779.db2.gz XKSASIWJMYJNKY-XJKSGUPXSA-N 1 1 291.395 3.079 20 5 CGBDMO COc1cc(C[N@@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000485763312 536745658 /nfs/dbraw/zinc/74/56/58/536745658.db2.gz BJGHIHOVRPDBHF-UHFFFAOYSA-N 1 1 278.352 3.368 20 5 CGBDMO CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000746672235 572890968 /nfs/dbraw/zinc/89/09/68/572890968.db2.gz NLSJSOBNNSVEAY-LLVKDONJSA-N 1 1 298.770 3.107 20 5 CGBDMO CC[N@H+]1CCC[C@H]1CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000036461531 618109015 /nfs/dbraw/zinc/10/90/15/618109015.db2.gz XKACJKSIMZKMJY-NSHDSACASA-N 1 1 283.759 3.144 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C ZINC000246460121 618166398 /nfs/dbraw/zinc/16/63/98/618166398.db2.gz CGRYDWKCSYITJC-ZJUUUORDSA-N 1 1 268.744 3.479 20 5 CGBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1Br)C1CCC1 ZINC000234322033 618212885 /nfs/dbraw/zinc/21/28/85/618212885.db2.gz BFOYYKVVFPUSLQ-UHFFFAOYSA-N 1 1 299.168 3.342 20 5 CGBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)C1CCC1 ZINC000234322033 618212887 /nfs/dbraw/zinc/21/28/87/618212887.db2.gz BFOYYKVVFPUSLQ-UHFFFAOYSA-N 1 1 299.168 3.342 20 5 CGBDMO Cc1c(C[N@@H+]2CCCSC[C@H]2C)cccc1[N+](=O)[O-] ZINC000934303479 618584456 /nfs/dbraw/zinc/58/44/56/618584456.db2.gz NNFDIRAWDUKYDZ-LLVKDONJSA-N 1 1 280.393 3.231 20 5 CGBDMO Cc1ncoc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000894315706 619488090 /nfs/dbraw/zinc/48/80/90/619488090.db2.gz GLOVUIKYRZTVMY-SNVBAGLBSA-N 1 1 275.308 3.050 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000035013325 620225478 /nfs/dbraw/zinc/22/54/78/620225478.db2.gz QHJWDWQARKRNAA-LLVKDONJSA-N 1 1 260.293 3.347 20 5 CGBDMO CC[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC000054520994 620386894 /nfs/dbraw/zinc/38/68/94/620386894.db2.gz OZGHIVMPYBWZPD-UHFFFAOYSA-N 1 1 288.351 3.167 20 5 CGBDMO CC1(C)CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000170872886 623105683 /nfs/dbraw/zinc/10/56/83/623105683.db2.gz KHFDDUNYRQUHBO-UHFFFAOYSA-N 1 1 252.289 3.108 20 5 CGBDMO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172406876 623249527 /nfs/dbraw/zinc/24/95/27/623249527.db2.gz PIQNSYPZAKDBJK-ZJUUUORDSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172406876 623249530 /nfs/dbraw/zinc/24/95/30/623249530.db2.gz PIQNSYPZAKDBJK-ZJUUUORDSA-N 1 1 284.356 3.060 20 5 CGBDMO O=[N+]([O-])c1cccc(C[NH+]2CCCCC2)c1Br ZINC000232478077 623390839 /nfs/dbraw/zinc/39/08/39/623390839.db2.gz PONHQYWNCHJHBX-UHFFFAOYSA-N 1 1 299.168 3.343 20 5 CGBDMO CC(C)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774925 623438874 /nfs/dbraw/zinc/43/88/74/623438874.db2.gz PCGFKWCEHWPRNP-CYBMUJFWSA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@H]1C[C@H]1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000111732585 623770762 /nfs/dbraw/zinc/77/07/62/623770762.db2.gz KXRZIRNZVZIWDS-UWVGGRQHSA-N 1 1 268.744 3.336 20 5 CGBDMO CCC(CC)[N@@H+](CCOC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000170872551 624715134 /nfs/dbraw/zinc/71/51/34/624715134.db2.gz CCMHIVZSUJDDEQ-UHFFFAOYSA-N 1 1 298.358 3.371 20 5 CGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](C2CC2)C2CCCC2)cc1 ZINC000776581543 628221011 /nfs/dbraw/zinc/22/10/11/628221011.db2.gz FBVNDHRICJPHAX-INIZCTEOSA-N 1 1 290.363 3.035 20 5 CGBDMO CC(C)(C)[C@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582498 628221123 /nfs/dbraw/zinc/22/11/23/628221123.db2.gz RIXRNGVVMCUUHZ-LSDHHAIUSA-N 1 1 292.379 3.139 20 5 CGBDMO CC[C@H]1CCCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585574 628221433 /nfs/dbraw/zinc/22/14/33/628221433.db2.gz XBQXAFTXLLFKNO-HOCLYGCPSA-N 1 1 292.379 3.283 20 5 CGBDMO CO[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000783018842 628673147 /nfs/dbraw/zinc/67/31/47/628673147.db2.gz SFAFDFNZXOLVQP-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO C[N@H+](Cc1ccc[nH]1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783576036 628727773 /nfs/dbraw/zinc/72/77/73/628727773.db2.gz YQALJELHYOKMLK-UHFFFAOYSA-N 1 1 279.727 3.208 20 5 CGBDMO C[N@@H+](Cc1ccc[nH]1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783576036 628727774 /nfs/dbraw/zinc/72/77/74/628727774.db2.gz YQALJELHYOKMLK-UHFFFAOYSA-N 1 1 279.727 3.208 20 5 CGBDMO O=[N+]([O-])CC[N@H+]1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000791051607 629253000 /nfs/dbraw/zinc/25/30/00/629253000.db2.gz GMMIBUNWAJITTH-SNGWPZLWSA-N 1 1 274.364 3.221 20 5 CGBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000791052440 629253158 /nfs/dbraw/zinc/25/31/58/629253158.db2.gz NXEACSXLDKBTHL-MRXNPFEDSA-N 1 1 270.332 3.253 20 5 CGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000811848831 631126992 /nfs/dbraw/zinc/12/69/92/631126992.db2.gz VZGCONQCOCPBCJ-LLVKDONJSA-N 1 1 283.347 3.266 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)(C)C ZINC000843431155 635673411 /nfs/dbraw/zinc/67/34/11/635673411.db2.gz NMCTUFRDJYBHDA-UHFFFAOYSA-N 1 1 256.733 3.479 20 5 CGBDMO CC[N@@H+](CCSC)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843437743 635676628 /nfs/dbraw/zinc/67/66/28/635676628.db2.gz VWCRJNZDBVATLJ-UHFFFAOYSA-N 1 1 288.800 3.433 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844440239 635902487 /nfs/dbraw/zinc/90/24/87/635902487.db2.gz SFGJHINROPUCCH-AWEZNQCLSA-N 1 1 296.317 3.259 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880234140 635945861 /nfs/dbraw/zinc/94/58/61/635945861.db2.gz PTOLOFKTUAFBHB-JTQLQIEISA-N 1 1 286.734 3.430 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000880234140 635945864 /nfs/dbraw/zinc/94/58/64/635945864.db2.gz PTOLOFKTUAFBHB-JTQLQIEISA-N 1 1 286.734 3.430 20 5 CGBDMO CC(C)CC[C@H]1CCCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000128602516 636048747 /nfs/dbraw/zinc/04/87/47/636048747.db2.gz AFZYOITXONVEAB-CYBMUJFWSA-N 1 1 280.372 3.040 20 5 CGBDMO CC(C)CC[C@H]1CCCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000128602516 636048753 /nfs/dbraw/zinc/04/87/53/636048753.db2.gz AFZYOITXONVEAB-CYBMUJFWSA-N 1 1 280.372 3.040 20 5 CGBDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000130728848 636505302 /nfs/dbraw/zinc/50/53/02/636505302.db2.gz QXHQDOIMBOBYPC-BXUZGUMPSA-N 1 1 294.399 3.266 20 5 CGBDMO Cc1nn(C[N@H+]2CCC[C@H]2CC2CCCC2)cc1[N+](=O)[O-] ZINC000848506962 636581758 /nfs/dbraw/zinc/58/17/58/636581758.db2.gz QVBLJZTYHLDKHO-AWEZNQCLSA-N 1 1 292.383 3.102 20 5 CGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000136108276 637286928 /nfs/dbraw/zinc/28/69/28/637286928.db2.gz SMZXITMQGUNSDX-ZYHUDNBSSA-N 1 1 266.316 3.497 20 5 CGBDMO CCC(CC)C[N@@H+](CC)Cc1cccnc1[N+](=O)[O-] ZINC000885953879 637328644 /nfs/dbraw/zinc/32/86/44/637328644.db2.gz IGMUUOYEDSUWRB-UHFFFAOYSA-N 1 1 265.357 3.248 20 5 CGBDMO CC(C)CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885956829 637331064 /nfs/dbraw/zinc/33/10/64/637331064.db2.gz ZOTQFTODBTYINX-UHFFFAOYSA-N 1 1 263.341 3.000 20 5 CGBDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886021364 637369480 /nfs/dbraw/zinc/36/94/80/637369480.db2.gz UXCXRCHJZQFKNY-MBNYWOFBSA-N 1 1 275.352 3.143 20 5 CGBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886027280 637373551 /nfs/dbraw/zinc/37/35/51/637373551.db2.gz CZNARKREJSMENJ-CHWSQXEVSA-N 1 1 295.408 3.096 20 5 CGBDMO CC(C)([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000886062745 637395889 /nfs/dbraw/zinc/39/58/89/637395889.db2.gz WLRXROVYSSAMAT-UHFFFAOYSA-N 1 1 289.310 3.154 20 5 CGBDMO C/C=C/C[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886303740 637491542 /nfs/dbraw/zinc/49/15/42/637491542.db2.gz FETATENZKSBBTM-IBUXWKBASA-N 1 1 275.352 3.168 20 5 CGBDMO COC/C(C)=C\C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000930140468 638977541 /nfs/dbraw/zinc/97/75/41/638977541.db2.gz ADWIBZNDSKHSBI-LCYFTJDESA-N 1 1 290.363 3.152 20 5 CGBDMO CCCC[N@@H+](CC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000075582345 640144206 /nfs/dbraw/zinc/14/42/06/640144206.db2.gz RGMZZLBAVMURIP-UHFFFAOYSA-N 1 1 276.340 3.024 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001254551735 806447432 /nfs/dbraw/zinc/44/74/32/806447432.db2.gz FAJONJBAHIXDNQ-BYCMXARLSA-N 1 1 298.333 3.298 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001254551735 806447435 /nfs/dbraw/zinc/44/74/35/806447435.db2.gz FAJONJBAHIXDNQ-BYCMXARLSA-N 1 1 298.333 3.298 20 5 CGBDMO CC[C@@H]1CCC[N@H+]1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254562418 806450831 /nfs/dbraw/zinc/45/08/31/806450831.db2.gz MFHTYBQNZZPVPW-GXTWGEPZSA-N 1 1 262.353 3.400 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1C[C@@H]3CCCC[C@@H]3C1)C2 ZINC001254596874 806456755 /nfs/dbraw/zinc/45/67/55/806456755.db2.gz GFBKXXLNUAOOQG-VBQJREDUSA-N 1 1 286.375 3.184 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCc3ccccc3C1)C2 ZINC001254597838 806457342 /nfs/dbraw/zinc/45/73/42/806457342.db2.gz HXNWUELZVOLAAI-SFHVURJKSA-N 1 1 294.354 3.120 20 5 CGBDMO C[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H](C)C1 ZINC001254603019 806458667 /nfs/dbraw/zinc/45/86/67/806458667.db2.gz KLQDNMARJDQJTQ-BFQNTYOBSA-N 1 1 274.364 3.182 20 5 CGBDMO C[C@@H]1CCCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601100 806458948 /nfs/dbraw/zinc/45/89/48/806458948.db2.gz ZGNQJEADCIWUBM-WBMJQRKESA-N 1 1 274.364 3.184 20 5 CGBDMO C[N@@H+](C[C@H]1CC1(C)C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604751 806460186 /nfs/dbraw/zinc/46/01/86/806460186.db2.gz XLQWSEXFBGSRSQ-HIFRSBDPSA-N 1 1 274.364 3.040 20 5 CGBDMO CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000037079978 798858017 /nfs/dbraw/zinc/85/80/17/798858017.db2.gz HBQRFAYUMZNKHM-UHFFFAOYSA-N 1 1 254.717 3.233 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037110112 798859381 /nfs/dbraw/zinc/85/93/81/798859381.db2.gz SGANIYMNOXVTJV-SECBINFHSA-N 1 1 256.733 3.479 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC(F)(F)CC2)cc1F ZINC000702828056 799915651 /nfs/dbraw/zinc/91/56/51/799915651.db2.gz SBNIQFBRGSGXEW-UHFFFAOYSA-N 1 1 288.269 3.355 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC(F)(F)CC2)cc1F ZINC000702828056 799915656 /nfs/dbraw/zinc/91/56/56/799915656.db2.gz SBNIQFBRGSGXEW-UHFFFAOYSA-N 1 1 288.269 3.355 20 5 CGBDMO CN(CCCCCC[NH3+])Cc1ccc([N+](=O)[O-])cc1Cl ZINC000710704965 800039008 /nfs/dbraw/zinc/03/90/08/800039008.db2.gz FUMUEHBBVYKXIQ-UHFFFAOYSA-N 1 1 299.802 3.199 20 5 CGBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccns1 ZINC000715930664 800153812 /nfs/dbraw/zinc/15/38/12/800153812.db2.gz IHHZHWCSEPELNC-VHSXEESVSA-N 1 1 277.349 3.463 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCCCF)C2 ZINC001117094232 802432532 /nfs/dbraw/zinc/43/25/32/802432532.db2.gz NRUXVTMUUBPAMB-UHFFFAOYSA-N 1 1 252.289 3.050 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCCCF)C2 ZINC001117094232 802432536 /nfs/dbraw/zinc/43/25/36/802432536.db2.gz NRUXVTMUUBPAMB-UHFFFAOYSA-N 1 1 252.289 3.050 20 5 CGBDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001167487328 807199089 /nfs/dbraw/zinc/19/90/89/807199089.db2.gz KBWHIPALFRCCDF-QWRGUYRKSA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@@H]1c2ccccc2CC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008648 807552050 /nfs/dbraw/zinc/55/20/50/807552050.db2.gz SUAPLHGCYNDSJJ-IPYPFGDCSA-N 1 1 274.364 3.051 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCC[C@H](c3ccccc3)C2)C1 ZINC001169039824 807557462 /nfs/dbraw/zinc/55/74/62/807557462.db2.gz UJMBSZGOSGSCQA-BHYGNILZSA-N 1 1 288.391 3.311 20 5 CGBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329405 807826954 /nfs/dbraw/zinc/82/69/54/807826954.db2.gz QDKVEXZUDOSMSC-VXGBXAGGSA-N 1 1 278.352 3.019 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184070 808533877 /nfs/dbraw/zinc/53/38/77/808533877.db2.gz CQOQMIYPJSXDFG-GHMZBOCLSA-N 1 1 298.358 3.404 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccn1 ZINC001173225343 808541303 /nfs/dbraw/zinc/54/13/03/808541303.db2.gz JMCWXUQZDOWIHW-ZDUSSCGKSA-N 1 1 285.347 3.053 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H](F)C1 ZINC001173228915 808542941 /nfs/dbraw/zinc/54/29/41/808542941.db2.gz NPXGKERCZDQLLI-GXTWGEPZSA-N 1 1 280.343 3.350 20 5 CGBDMO COCC1([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC001175965566 809584171 /nfs/dbraw/zinc/58/41/71/809584171.db2.gz NVLMJXXDOZWECD-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO COCC1([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC001175965566 809584175 /nfs/dbraw/zinc/58/41/75/809584175.db2.gz NVLMJXXDOZWECD-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@@H]1C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@H](C)O1 ZINC001180280830 809988783 /nfs/dbraw/zinc/98/87/83/809988783.db2.gz NRYCZSFRMRSHRW-GXTWGEPZSA-N 1 1 292.379 3.211 20 5 CGBDMO CC[C@@H]1C[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@H](C)O1 ZINC001180280830 809988788 /nfs/dbraw/zinc/98/87/88/809988788.db2.gz NRYCZSFRMRSHRW-GXTWGEPZSA-N 1 1 292.379 3.211 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC001195289376 811238040 /nfs/dbraw/zinc/23/80/40/811238040.db2.gz MAKVVOYLOQLAHS-TUAOUCFPSA-N 1 1 278.352 3.080 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C/C=C/Cl ZINC001207738551 813642488 /nfs/dbraw/zinc/64/24/88/813642488.db2.gz CVJSONBQVULTDS-DAFODLJHSA-N 1 1 261.108 3.090 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1Nc1cccc2[nH+]cn(C)c21 ZINC001210447738 814461248 /nfs/dbraw/zinc/46/12/48/814461248.db2.gz LANSYPPSSHNLHN-UHFFFAOYSA-N 1 1 298.302 3.234 20 5 CGBDMO CC(C)[N@H+]1CC[C@@H](O[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001223428068 816628778 /nfs/dbraw/zinc/62/87/78/816628778.db2.gz BTRAWLXUFXXMHE-IUODEOHRSA-N 1 1 278.352 3.155 20 5 CGBDMO Cc1cccc(CO[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC001223658835 816663934 /nfs/dbraw/zinc/66/39/34/816663934.db2.gz GLYOZJNTRKDHFE-QDMKHBRRSA-N 1 1 290.363 3.045 20 5 CGBDMO C[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001226762425 817456402 /nfs/dbraw/zinc/45/64/02/817456402.db2.gz SOJHJBWBSMUDFB-LLVKDONJSA-N 1 1 284.743 3.111 20 5 CGBDMO CC[N@H+]1CC[C@@H](Oc2cccc3nc4ccccc4nc32)C1 ZINC001228523230 817927581 /nfs/dbraw/zinc/92/75/81/817927581.db2.gz SRUWQIBGGYGHMM-CYBMUJFWSA-N 1 1 293.370 3.256 20 5 CGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc(/C=C/[N+](=O)[O-])cc2)C1 ZINC001229115073 932099343 /nfs/dbraw/zinc/09/93/43/932099343.db2.gz PJNGDAQWFQMDKF-PXUDHTSWSA-N 1 1 290.363 3.186 20 5 CGBDMO Cc1cc(F)cc([N+](=O)[O-])c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001229199173 932114670 /nfs/dbraw/zinc/11/46/70/932114670.db2.gz UCQYQZYMIUVDOX-ITGUQSILSA-N 1 1 294.326 3.046 20 5 CGBDMO Cc1cc(O[C@H]2CCC[N@H+](C(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC001229469939 932157401 /nfs/dbraw/zinc/15/74/01/932157401.db2.gz LSYKASQUDSVGRP-AWEZNQCLSA-N 1 1 292.379 3.463 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001308976126 933219495 /nfs/dbraw/zinc/21/94/95/933219495.db2.gz QLMYLVIWPJAMCZ-OKILXGFUSA-N 1 1 274.364 3.444 20 5 CGBDMO Cc1ccc(C[N@@H+](C)C[C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC001473675758 937817060 /nfs/dbraw/zinc/81/70/60/937817060.db2.gz YYHXRBNOEMBDAP-CYBMUJFWSA-N 1 1 262.353 3.381 20 5 CGBDMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC001473675728 937817201 /nfs/dbraw/zinc/81/72/01/937817201.db2.gz XLSCTNCJKLQXEI-NSHDSACASA-N 1 1 266.316 3.212 20 5 CGBDMO CCC[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001473859308 937825192 /nfs/dbraw/zinc/82/51/92/937825192.db2.gz GURYLALAXONVOM-CYBMUJFWSA-N 1 1 266.316 3.498 20 5 CGBDMO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001474412757 937858002 /nfs/dbraw/zinc/85/80/02/937858002.db2.gz FTAULALWOGVHLD-OCCSQVGLSA-N 1 1 292.379 3.211 20 5 CGBDMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001474412757 937858003 /nfs/dbraw/zinc/85/80/03/937858003.db2.gz FTAULALWOGVHLD-OCCSQVGLSA-N 1 1 292.379 3.211 20 5 CGBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC001559155391 938221306 /nfs/dbraw/zinc/22/13/06/938221306.db2.gz HKLKYQFMGBLJER-GHMZBOCLSA-N 1 1 297.786 3.167 20 5 CGBDMO C[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC001559654186 938232027 /nfs/dbraw/zinc/23/20/27/938232027.db2.gz DCELOYQIVJZLCR-KGLIPLIRSA-N 1 1 292.379 3.342 20 5 CGBDMO CO[C@H](C)C[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C(C)C ZINC001560635589 938266769 /nfs/dbraw/zinc/26/67/69/938266769.db2.gz IGTHZJQROIUXIB-CYBMUJFWSA-N 1 1 294.395 3.457 20 5 CGBDMO CC[C@H](C)[C@@H](C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)OC ZINC001560696872 938270733 /nfs/dbraw/zinc/27/07/33/938270733.db2.gz GAGXZIOVBSSWJL-BLLLJJGKSA-N 1 1 292.379 3.014 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](F)C1 ZINC001560919335 938283847 /nfs/dbraw/zinc/28/38/47/938283847.db2.gz AXHMYWFLYLDZKY-LBPRGKRZSA-N 1 1 266.316 3.146 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](F)C1 ZINC001560919335 938283849 /nfs/dbraw/zinc/28/38/49/938283849.db2.gz AXHMYWFLYLDZKY-LBPRGKRZSA-N 1 1 266.316 3.146 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)cc1 ZINC000590602852 346854158 /nfs/dbraw/zinc/85/41/58/346854158.db2.gz ZGYHYYGDKVWYIU-HNNXBMFYSA-N 1 1 297.358 3.369 20 5 CGBDMO CC[C@H]([NH2+][C@@H](C)c1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000414119105 529653199 /nfs/dbraw/zinc/65/31/99/529653199.db2.gz WEBJGPJRTDBBRE-FZMZJTMJSA-N 1 1 288.351 3.130 20 5 CGBDMO Cc1c([C@H](C)[NH2+]Cc2nccs2)cccc1[N+](=O)[O-] ZINC000128172388 187355848 /nfs/dbraw/zinc/35/58/48/187355848.db2.gz DMUMJRCZFMTDAQ-JTQLQIEISA-N 1 1 277.349 3.211 20 5 CGBDMO CC[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CO1 ZINC000593058784 347033401 /nfs/dbraw/zinc/03/34/01/347033401.db2.gz OMNSQQCAZBLXAQ-GOEBONIOSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593116725 347041452 /nfs/dbraw/zinc/04/14/52/347041452.db2.gz OCQIPPUHGAIARJ-ZWNOBZJWSA-N 1 1 282.290 3.387 20 5 CGBDMO C[C@H](C1CC1)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000047908995 345056799 /nfs/dbraw/zinc/05/67/99/345056799.db2.gz WUYTXFNCBXWRDA-GFCCVEGCSA-N 1 1 290.363 3.237 20 5 CGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCc2ccccc2C1 ZINC000051114197 345087180 /nfs/dbraw/zinc/08/71/80/345087180.db2.gz PIRMZNNSCRLKCC-UHFFFAOYSA-N 1 1 298.342 3.032 20 5 CGBDMO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000073007011 345425652 /nfs/dbraw/zinc/42/56/52/345425652.db2.gz HGXHPROHYHHNSV-VIFPVBQESA-N 1 1 275.308 3.050 20 5 CGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000075021392 345490058 /nfs/dbraw/zinc/49/00/58/345490058.db2.gz YNWYLLYADASUDL-MWLCHTKSSA-N 1 1 254.355 3.277 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000075648890 345517572 /nfs/dbraw/zinc/51/75/72/345517572.db2.gz PJQIGTTYVFDEAF-RYUDHWBXSA-N 1 1 278.352 3.155 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000075648890 345517575 /nfs/dbraw/zinc/51/75/75/345517575.db2.gz PJQIGTTYVFDEAF-RYUDHWBXSA-N 1 1 278.352 3.155 20 5 CGBDMO CCOC[C@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000081520660 345711408 /nfs/dbraw/zinc/71/14/08/345711408.db2.gz VCEKVKCCEQCJAM-STQMWFEESA-N 1 1 278.352 3.014 20 5 CGBDMO Cc1cn(Cc2ccc([N+](=O)[O-])cc2Cl)c(C)[nH+]1 ZINC000082172747 345721717 /nfs/dbraw/zinc/72/17/17/345721717.db2.gz YHOXGISZNLHDDM-UHFFFAOYSA-N 1 1 265.700 3.110 20 5 CGBDMO CC(C)[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000091475964 345816036 /nfs/dbraw/zinc/81/60/36/345816036.db2.gz XPFQJMJSHYTZFO-CYBMUJFWSA-N 1 1 277.368 3.127 20 5 CGBDMO Cc1ccc(C[N@H+](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000092217624 345833159 /nfs/dbraw/zinc/83/31/59/345833159.db2.gz RYBXRSSDQPLEPY-UHFFFAOYSA-N 1 1 250.342 3.381 20 5 CGBDMO CC1(C)CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000303875358 346448066 /nfs/dbraw/zinc/44/80/66/346448066.db2.gz IIJMXQIJOMLGGG-UHFFFAOYSA-N 1 1 292.379 3.486 20 5 CGBDMO CC[N@H+]1CCC[C@H]1CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000314223425 346481151 /nfs/dbraw/zinc/48/11/51/346481151.db2.gz XHHGOEYSEIFHCP-NSHDSACASA-N 1 1 299.321 3.429 20 5 CGBDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC000584728158 346710358 /nfs/dbraw/zinc/71/03/58/346710358.db2.gz DDYCQHZWEXZCHX-AWEZNQCLSA-N 1 1 297.358 3.288 20 5 CGBDMO CCCCC[C@@H]1CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595349337 347296000 /nfs/dbraw/zinc/29/60/00/347296000.db2.gz BWHVFCZBOLWAKS-GFCCVEGCSA-N 1 1 281.356 3.436 20 5 CGBDMO CC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000595411095 347299303 /nfs/dbraw/zinc/29/93/03/347299303.db2.gz NTGCWTKKDWDXQR-LBPRGKRZSA-N 1 1 275.308 3.132 20 5 CGBDMO C[C@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595057520 347272826 /nfs/dbraw/zinc/27/28/26/347272826.db2.gz YRDDBPUYUFBJIL-JSGCOSHPSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595057520 347272831 /nfs/dbraw/zinc/27/28/31/347272831.db2.gz YRDDBPUYUFBJIL-JSGCOSHPSA-N 1 1 291.395 3.118 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000596305898 347414185 /nfs/dbraw/zinc/41/41/85/347414185.db2.gz CMQYKGMTYTWYPH-JTQLQIEISA-N 1 1 283.397 3.189 20 5 CGBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000595858707 347368210 /nfs/dbraw/zinc/36/82/10/347368210.db2.gz ZBGOVROLRBFRHK-QXMXGUDHSA-N 1 1 260.337 3.358 20 5 CGBDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000599671915 347763150 /nfs/dbraw/zinc/76/31/50/347763150.db2.gz ULPVEGPZOQTTOW-WFASDCNBSA-N 1 1 278.327 3.498 20 5 CGBDMO C[C@]12CCCC[C@H]1C[N@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000599674955 347764406 /nfs/dbraw/zinc/76/44/06/347764406.db2.gz LXTPNGRDLGCPHL-BBRMVZONSA-N 1 1 290.363 3.238 20 5 CGBDMO Cc1ccc(NC[C@@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000599140326 347720623 /nfs/dbraw/zinc/72/06/23/347720623.db2.gz UUMNDCSVBDTINO-ZDUSSCGKSA-N 1 1 277.368 3.047 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2c(O)cccc2C1 ZINC000600205899 347793363 /nfs/dbraw/zinc/79/33/63/347793363.db2.gz BFCGSTGJIWMEPN-UHFFFAOYSA-N 1 1 298.342 3.167 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2c(O)cccc2C1 ZINC000600205899 347793366 /nfs/dbraw/zinc/79/33/66/347793366.db2.gz BFCGSTGJIWMEPN-UHFFFAOYSA-N 1 1 298.342 3.167 20 5 CGBDMO Cc1cnc(OCc2c(C)cc(C)[nH+]c2C)c([N+](=O)[O-])c1 ZINC000601077940 347864748 /nfs/dbraw/zinc/86/47/48/347864748.db2.gz CQSTUQQNRJHRBO-UHFFFAOYSA-N 1 1 287.319 3.197 20 5 CGBDMO CCCCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000602763840 348025480 /nfs/dbraw/zinc/02/54/80/348025480.db2.gz SXPWSENZJIHMHC-UHFFFAOYSA-N 1 1 282.388 3.000 20 5 CGBDMO COc1ccc(C[N@@H+](C)[C@@H](C)C2CCC2)cc1[N+](=O)[O-] ZINC000357044831 232889784 /nfs/dbraw/zinc/88/97/84/232889784.db2.gz STXPKZVLGVBKMJ-NSHDSACASA-N 1 1 278.352 3.224 20 5 CGBDMO CC(C)[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000609767128 348352276 /nfs/dbraw/zinc/35/22/76/348352276.db2.gz PCUJLNWDTPRZGD-INIZCTEOSA-N 1 1 292.379 3.484 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)c(F)c1 ZINC000610476407 348383969 /nfs/dbraw/zinc/38/39/69/348383969.db2.gz NUZAIXZZNBVENU-LBPRGKRZSA-N 1 1 290.294 3.316 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccc(O)cc1)C1CC1 ZINC000610000969 348360158 /nfs/dbraw/zinc/36/01/58/348360158.db2.gz IIELVIUDKZOOLW-UHFFFAOYSA-N 1 1 298.342 3.465 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc(O)cc1)C1CC1 ZINC000610000969 348360163 /nfs/dbraw/zinc/36/01/63/348360163.db2.gz IIELVIUDKZOOLW-UHFFFAOYSA-N 1 1 298.342 3.465 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000612582567 348529835 /nfs/dbraw/zinc/52/98/35/348529835.db2.gz IHMVDCYJTVHIEZ-IINYFYTJSA-N 1 1 266.316 3.083 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000612582567 348529836 /nfs/dbraw/zinc/52/98/36/348529836.db2.gz IHMVDCYJTVHIEZ-IINYFYTJSA-N 1 1 266.316 3.083 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCOC[C@H]1C ZINC000615835239 348767903 /nfs/dbraw/zinc/76/79/03/348767903.db2.gz CWSZXQPLFNWREZ-KADHNRKRSA-N 1 1 290.363 3.109 20 5 CGBDMO Cc1ccnc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000616761939 348877705 /nfs/dbraw/zinc/87/77/05/348877705.db2.gz OIHDFGZEGNWFTK-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1ccnc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000616761939 348877709 /nfs/dbraw/zinc/87/77/09/348877709.db2.gz OIHDFGZEGNWFTK-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO CC1(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000618808946 349157350 /nfs/dbraw/zinc/15/73/50/349157350.db2.gz MBBAPIDAJLZGBI-UHFFFAOYSA-N 1 1 260.337 3.359 20 5 CGBDMO Cc1cnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000123001268 187065250 /nfs/dbraw/zinc/06/52/50/187065250.db2.gz NCDVWWHYPUYOHJ-JTQLQIEISA-N 1 1 277.349 3.211 20 5 CGBDMO CSC[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000292382746 198266700 /nfs/dbraw/zinc/26/67/00/198266700.db2.gz JTAPQBRKRABFAZ-SNVBAGLBSA-N 1 1 286.422 3.231 20 5 CGBDMO COCC(C)(C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000426076856 236280873 /nfs/dbraw/zinc/28/08/73/236280873.db2.gz JUDDMPASZZNWSO-UHFFFAOYSA-N 1 1 294.395 3.478 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]3CCC[C@H]32)cc1 ZINC000426464067 236296868 /nfs/dbraw/zinc/29/68/68/236296868.db2.gz XRQSAFDGTWTEEQ-UKRRQHHQSA-N 1 1 260.337 3.012 20 5 CGBDMO CCOC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000298379941 200412189 /nfs/dbraw/zinc/41/21/89/200412189.db2.gz VNIJOCIWBBTHPV-UHFFFAOYSA-N 1 1 296.342 3.125 20 5 CGBDMO Cc1ccc([C@H](C)NCC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000181844339 189308031 /nfs/dbraw/zinc/30/80/31/189308031.db2.gz PAWVDTJPXDPUGX-ZFWWWQNUSA-N 1 1 291.395 3.038 20 5 CGBDMO Cc1c(C[N@@H+]2CC[C@H](OCC(C)C)C2)cccc1[N+](=O)[O-] ZINC000119504694 370680978 /nfs/dbraw/zinc/68/09/78/370680978.db2.gz LUEPYWLFCAVFPE-HNNXBMFYSA-N 1 1 292.379 3.150 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000301614833 201096465 /nfs/dbraw/zinc/09/64/65/201096465.db2.gz UUVHIFDKJHZKGK-CQSZACIVSA-N 1 1 291.395 3.293 20 5 CGBDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183349014 189355959 /nfs/dbraw/zinc/35/59/59/189355959.db2.gz ITDCCBRQTTYJGA-CQSZACIVSA-N 1 1 292.379 3.152 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCc1nccs1 ZINC000183389342 189357709 /nfs/dbraw/zinc/35/77/09/189357709.db2.gz CQVHPYSRJHARCW-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO Cc1cc(N(C)CC[N@@H+](C)C2CC2)c(Cl)cc1[N+](=O)[O-] ZINC000302275039 201427004 /nfs/dbraw/zinc/42/70/04/201427004.db2.gz SWBLCDXFKYQVRZ-UHFFFAOYSA-N 1 1 297.786 3.087 20 5 CGBDMO COC[C@]1(C)CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000451198527 240249444 /nfs/dbraw/zinc/24/94/44/240249444.db2.gz BXHNTFHKDPTPOP-CQSZACIVSA-N 1 1 298.770 3.107 20 5 CGBDMO COC[C@]1(C)CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000451198527 240249446 /nfs/dbraw/zinc/24/94/46/240249446.db2.gz BXHNTFHKDPTPOP-CQSZACIVSA-N 1 1 298.770 3.107 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451899578 240377179 /nfs/dbraw/zinc/37/71/79/240377179.db2.gz IIRYOLQAJSDCNK-XJKSGUPXSA-N 1 1 290.363 3.158 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451899573 240378769 /nfs/dbraw/zinc/37/87/69/240378769.db2.gz IIRYOLQAJSDCNK-CJNGLKHVSA-N 1 1 290.363 3.158 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000462827902 242369182 /nfs/dbraw/zinc/36/91/82/242369182.db2.gz WRYQZAPMSKDKQB-UHFFFAOYSA-N 1 1 250.342 3.463 20 5 CGBDMO CCOc1cc(C[N@@H+](C(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000492373461 243935938 /nfs/dbraw/zinc/93/59/38/243935938.db2.gz FDTLDEBLIXMCBG-UHFFFAOYSA-N 1 1 278.352 3.366 20 5 CGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CC1 ZINC000037925512 369126274 /nfs/dbraw/zinc/12/62/74/369126274.db2.gz SZBSWTJVZJISAM-UHFFFAOYSA-N 1 1 254.717 3.090 20 5 CGBDMO Cc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000053036234 369476510 /nfs/dbraw/zinc/47/65/10/369476510.db2.gz HNXRMPNHNOOWDX-NSHDSACASA-N 1 1 260.293 3.347 20 5 CGBDMO Cc1occc1C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000055054821 369509018 /nfs/dbraw/zinc/50/90/18/369509018.db2.gz VYNIEYJSXPPXRX-UHFFFAOYSA-N 1 1 290.319 3.007 20 5 CGBDMO COc1ccc(C[N@@H+](C)CC2CCCC2)cc1[N+](=O)[O-] ZINC000064014404 369650325 /nfs/dbraw/zinc/65/03/25/369650325.db2.gz QRJMIWFVJQZRIH-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO COc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000076150404 369932538 /nfs/dbraw/zinc/93/25/38/369932538.db2.gz OZGUUTQJKOXKDP-NEPJUHHUSA-N 1 1 278.352 3.224 20 5 CGBDMO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000116380286 370558510 /nfs/dbraw/zinc/55/85/10/370558510.db2.gz WZKGTCPJRFLTFN-UHFFFAOYSA-N 1 1 277.349 3.076 20 5 CGBDMO CSC1(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000290540947 372012231 /nfs/dbraw/zinc/01/22/31/372012231.db2.gz WAWXKNPAYHBSBC-UHFFFAOYSA-N 1 1 280.393 3.312 20 5 CGBDMO CC(C)[N@H+]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000344222646 217104390 /nfs/dbraw/zinc/10/43/90/217104390.db2.gz TWPXCJKYIWAZRN-AWEZNQCLSA-N 1 1 291.395 3.072 20 5 CGBDMO Cc1[nH+]cn(Cc2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000167322191 372594989 /nfs/dbraw/zinc/59/49/89/372594989.db2.gz DDOVVVUEIYYLIE-UHFFFAOYSA-N 1 1 265.700 3.110 20 5 CGBDMO C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000174406109 373309073 /nfs/dbraw/zinc/30/90/73/373309073.db2.gz LHBZWJVNQPYTQI-SECBINFHSA-N 1 1 254.717 3.233 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000301102131 373661471 /nfs/dbraw/zinc/66/14/71/373661471.db2.gz OITQFHONBSGQTM-LLVKDONJSA-N 1 1 281.331 3.020 20 5 CGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)cc1 ZINC000449497623 373794205 /nfs/dbraw/zinc/79/42/05/373794205.db2.gz ISGKNNJSEQNGCS-MRXNPFEDSA-N 1 1 297.358 3.369 20 5 CGBDMO COC[C@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449761540 373889387 /nfs/dbraw/zinc/88/93/87/373889387.db2.gz YMGXDKGPZQRIGC-DDJMYBDESA-N 1 1 290.363 3.109 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000311912134 374262005 /nfs/dbraw/zinc/26/20/05/374262005.db2.gz HOMXFRBQTWARIG-LBPRGKRZSA-N 1 1 265.357 3.044 20 5 CGBDMO C[C@@H]1CCCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000187922418 375116917 /nfs/dbraw/zinc/11/69/17/375116917.db2.gz SGGLLBUEUASFGS-SNVBAGLBSA-N 1 1 254.355 3.278 20 5 CGBDMO CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000224113966 376271441 /nfs/dbraw/zinc/27/14/41/376271441.db2.gz PXIVNDMNFXNQQC-BJJXKVORSA-N 1 1 291.395 3.118 20 5 CGBDMO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000224113966 376271445 /nfs/dbraw/zinc/27/14/45/376271445.db2.gz PXIVNDMNFXNQQC-BJJXKVORSA-N 1 1 291.395 3.118 20 5 CGBDMO Cc1ccc(C[N@H+]2CCS[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000539829393 376338011 /nfs/dbraw/zinc/33/80/11/376338011.db2.gz QYCJKCAVSSGXSQ-HNNXBMFYSA-N 1 1 294.420 3.477 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC(C)(C)O1 ZINC000338360375 376348424 /nfs/dbraw/zinc/34/84/24/376348424.db2.gz NOTCRHBUJBLTOT-HNNXBMFYSA-N 1 1 292.379 3.027 20 5 CGBDMO CCC[C@@H](C)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000539382007 376306162 /nfs/dbraw/zinc/30/61/62/376306162.db2.gz ZMFQXDCRTZTQCB-GFCCVEGCSA-N 1 1 262.353 3.389 20 5 CGBDMO CC(C)SCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338381614 376358409 /nfs/dbraw/zinc/35/84/09/376358409.db2.gz OFUZCTOEWFHPNM-UHFFFAOYSA-N 1 1 282.409 3.211 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000237933401 376764745 /nfs/dbraw/zinc/76/47/45/376764745.db2.gz KULHHMAPUSFPKU-INIZCTEOSA-N 1 1 297.358 3.281 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1ccccc1[N+](=O)[O-] ZINC000557792517 376956319 /nfs/dbraw/zinc/95/63/19/376956319.db2.gz UDDHHVZJVAZJFM-SNVBAGLBSA-N 1 1 291.738 3.494 20 5 CGBDMO CC(C)[C@@H]1[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000560556572 377170480 /nfs/dbraw/zinc/17/04/80/377170480.db2.gz PBTSMKZXKYAGPL-AWEZNQCLSA-N 1 1 262.353 3.461 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCS[C@H](C)CC1 ZINC000249049500 377450346 /nfs/dbraw/zinc/45/03/46/377450346.db2.gz OCHYSKZKPNZHHQ-VXGBXAGGSA-N 1 1 280.393 3.483 20 5 CGBDMO CC(C)(C)[N@H+]1CCCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000563466463 377470299 /nfs/dbraw/zinc/47/02/99/377470299.db2.gz SRRVNEDINCWLHN-UHFFFAOYSA-N 1 1 295.358 3.045 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000341272938 377482397 /nfs/dbraw/zinc/48/23/97/377482397.db2.gz DUHKBHDPLRCNHI-QWRGUYRKSA-N 1 1 296.342 3.220 20 5 CGBDMO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c2nccn21 ZINC000574339518 377650677 /nfs/dbraw/zinc/65/06/77/377650677.db2.gz SGWPLWSDWSSXQX-LERXQTSPSA-N 1 1 298.346 3.074 20 5 CGBDMO C[N@@H+](CC[C@@H]1CCCO1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000342610372 377690125 /nfs/dbraw/zinc/69/01/25/377690125.db2.gz WGIWSNMSZUUJPM-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[N@@H+](CC(C)(C)O)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000272299315 378606667 /nfs/dbraw/zinc/60/66/67/378606667.db2.gz IJTFOVGICWDLPU-GFCCVEGCSA-N 1 1 280.368 3.057 20 5 CGBDMO C[C@@H]1CCC[C@@H](C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000347786615 378726509 /nfs/dbraw/zinc/72/65/09/378726509.db2.gz OPUZUTUSQOANNX-CHWSQXEVSA-N 1 1 289.379 3.174 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCS[C@@H](C)CC1 ZINC000276888745 379013671 /nfs/dbraw/zinc/01/36/71/379013671.db2.gz FYDAKQUPZQROJG-NWDGAFQWSA-N 1 1 280.393 3.483 20 5 CGBDMO CCOc1cc(C[N@H+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000276925211 379023208 /nfs/dbraw/zinc/02/32/08/379023208.db2.gz PXBVVXTXSAHCBN-UHFFFAOYSA-N 1 1 290.319 3.219 20 5 CGBDMO CCOc1cc(C[N@@H+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000276925211 379023214 /nfs/dbraw/zinc/02/32/14/379023214.db2.gz PXBVVXTXSAHCBN-UHFFFAOYSA-N 1 1 290.319 3.219 20 5 CGBDMO CC[C@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352545642 379853551 /nfs/dbraw/zinc/85/35/51/379853551.db2.gz KVIKYDHOOYUTPN-OAHLLOKOSA-N 1 1 278.352 3.225 20 5 CGBDMO COc1ccc(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000418125406 380706737 /nfs/dbraw/zinc/70/67/37/380706737.db2.gz JGDSWHJWLHINFM-TUAOUCFPSA-N 1 1 278.352 3.080 20 5 CGBDMO COc1ccc(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000418125404 380707890 /nfs/dbraw/zinc/70/78/90/380707890.db2.gz JGDSWHJWLHINFM-SDDRHHMPSA-N 1 1 278.352 3.080 20 5 CGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000357558006 381210080 /nfs/dbraw/zinc/21/00/80/381210080.db2.gz ZLBLECOKUKCUJW-MNOVXSKESA-N 1 1 266.316 3.497 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000359993243 381402557 /nfs/dbraw/zinc/40/25/57/381402557.db2.gz RCCLGYDPLJCEHJ-SECBINFHSA-N 1 1 254.717 3.090 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCCC23CCC3)c(F)c1 ZINC000352412373 285093235 /nfs/dbraw/zinc/09/32/35/285093235.db2.gz FFAZHGFPLLRMAL-UHFFFAOYSA-N 1 1 282.290 3.392 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCCC23CCC3)c(F)c1 ZINC000352412373 285093236 /nfs/dbraw/zinc/09/32/36/285093236.db2.gz FFAZHGFPLLRMAL-UHFFFAOYSA-N 1 1 282.290 3.392 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000177182242 285113688 /nfs/dbraw/zinc/11/36/88/285113688.db2.gz XQFROQMSQXWZHZ-GJZGRUSLSA-N 1 1 292.404 3.455 20 5 CGBDMO COc1ccc(C[N@H+]2CC(C)(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000412050317 533552861 /nfs/dbraw/zinc/55/28/61/533552861.db2.gz XZQTUEMCQUCULZ-NSHDSACASA-N 1 1 278.352 3.224 20 5 CGBDMO C[N@@H+](CCc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000055022771 392095204 /nfs/dbraw/zinc/09/52/04/392095204.db2.gz BYRXRIIDYWEGAL-UHFFFAOYSA-N 1 1 288.322 3.408 20 5 CGBDMO Cc1c([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361772502 392320145 /nfs/dbraw/zinc/32/01/45/392320145.db2.gz NFQOKFXLVJVZPG-UBHSHLNASA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1c([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361772502 392320149 /nfs/dbraw/zinc/32/01/49/392320149.db2.gz NFQOKFXLVJVZPG-UBHSHLNASA-N 1 1 291.395 3.037 20 5 CGBDMO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000161862733 392588185 /nfs/dbraw/zinc/58/81/85/392588185.db2.gz MAASOAXPHZGJNJ-AWEZNQCLSA-N 1 1 289.310 3.370 20 5 CGBDMO C[C@@H]1CCC[N@@H+](CCNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301759663 392598167 /nfs/dbraw/zinc/59/81/67/392598167.db2.gz AUZOFLOTZUBYCL-SNVBAGLBSA-N 1 1 299.321 3.017 20 5 CGBDMO C[C@H](NCC[N@@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000156638522 392547779 /nfs/dbraw/zinc/54/77/79/392547779.db2.gz OADAVMUTGQBQLI-KBPBESRZSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@H](NCC[N@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000156638522 392547785 /nfs/dbraw/zinc/54/77/85/392547785.db2.gz OADAVMUTGQBQLI-KBPBESRZSA-N 1 1 291.395 3.120 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC000313535212 392666743 /nfs/dbraw/zinc/66/67/43/392666743.db2.gz QCSSUZKRKVRVEY-NHYWBVRUSA-N 1 1 278.327 3.498 20 5 CGBDMO Cc1cc(N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000505581048 392676798 /nfs/dbraw/zinc/67/67/98/392676798.db2.gz DQJLKSMDZFISQI-TZMCWYRMSA-N 1 1 291.395 3.436 20 5 CGBDMO C[C@@H]1C[C@@H](C)C[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509295791 392741781 /nfs/dbraw/zinc/74/17/81/392741781.db2.gz XIJFGQAOGDZKAK-NXEZZACHSA-N 1 1 284.306 3.351 20 5 CGBDMO CC[C@@H]([NH2+][C@@H](C)c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000183081485 392753580 /nfs/dbraw/zinc/75/35/80/392753580.db2.gz BOMVHWSUDBTEJW-SMDDNHRTSA-N 1 1 288.351 3.130 20 5 CGBDMO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC(C)(C)C ZINC000509638961 392762456 /nfs/dbraw/zinc/76/24/56/392762456.db2.gz CPPZFVCGCIHWFM-UHFFFAOYSA-N 1 1 272.295 3.351 20 5 CGBDMO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC(C)(C)C ZINC000509638961 392762459 /nfs/dbraw/zinc/76/24/59/392762459.db2.gz CPPZFVCGCIHWFM-UHFFFAOYSA-N 1 1 272.295 3.351 20 5 CGBDMO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509656305 392764446 /nfs/dbraw/zinc/76/44/46/392764446.db2.gz XKGGYCVWVABBGL-VHSXEESVSA-N 1 1 284.306 3.493 20 5 CGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509656305 392764452 /nfs/dbraw/zinc/76/44/52/392764452.db2.gz XKGGYCVWVABBGL-VHSXEESVSA-N 1 1 284.306 3.493 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000511071173 392826909 /nfs/dbraw/zinc/82/69/09/392826909.db2.gz AJLVFLOQCZSDQJ-UHFFFAOYSA-N 1 1 288.322 3.408 20 5 CGBDMO CCCC[N@@H+](CCO)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470176850 393231268 /nfs/dbraw/zinc/23/12/68/393231268.db2.gz NOLSROXOJFGMFF-KAMYIIQDSA-N 1 1 292.379 3.093 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000272586127 393263189 /nfs/dbraw/zinc/26/31/89/393263189.db2.gz WTBFDYRJSGBANW-RDBSUJKOSA-N 1 1 292.379 3.200 20 5 CGBDMO CC[C@H](C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)OC ZINC000419295771 393367137 /nfs/dbraw/zinc/36/71/37/393367137.db2.gz XAXIBOJZLCFHJX-GDBMZVCRSA-N 1 1 292.379 3.199 20 5 CGBDMO CC[N@@H+](CCC1CC1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430228028 393544719 /nfs/dbraw/zinc/54/47/19/393544719.db2.gz SXNGBPJXJRETSU-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000357718596 393515023 /nfs/dbraw/zinc/51/50/23/393515023.db2.gz WRZOIFGHMPNLHN-WDEREUQCSA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@@H]1CC2(CCC2)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000432818347 393643570 /nfs/dbraw/zinc/64/35/70/393643570.db2.gz VHPPZFSKBKDKTB-LLVKDONJSA-N 1 1 278.327 3.498 20 5 CGBDMO CC[C@H]([NH2+][C@H](C)CN(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000045691354 397625608 /nfs/dbraw/zinc/62/56/08/397625608.db2.gz UHYSKIVPDCWODF-CJNGLKHVSA-N 1 1 293.411 3.366 20 5 CGBDMO C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1ccccc1[N+](=O)[O-] ZINC000349313992 287065052 /nfs/dbraw/zinc/06/50/52/287065052.db2.gz PVYTWIADWMPVSQ-ZWNOBZJWSA-N 1 1 292.360 3.041 20 5 CGBDMO COc1ccc(C[N@H+]2CCC[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000063302478 165029499 /nfs/dbraw/zinc/02/94/99/165029499.db2.gz DMGISRJJWPNKML-LBPRGKRZSA-N 1 1 278.352 3.225 20 5 CGBDMO CC(C)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000075683168 165100705 /nfs/dbraw/zinc/10/07/05/165100705.db2.gz HAGQMBTYMFVKNZ-UHFFFAOYSA-N 1 1 250.342 3.461 20 5 CGBDMO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000092540417 287112283 /nfs/dbraw/zinc/11/22/83/287112283.db2.gz HTZOQDJSTJNJFS-ZVYZJRAXSA-N 1 1 292.404 3.434 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cccs1)C2 ZINC000093443682 287116772 /nfs/dbraw/zinc/11/67/72/287116772.db2.gz WOFZQLFLZDABBM-UHFFFAOYSA-N 1 1 274.345 3.215 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cccs1)C2 ZINC000093443682 287116773 /nfs/dbraw/zinc/11/67/73/287116773.db2.gz WOFZQLFLZDABBM-UHFFFAOYSA-N 1 1 274.345 3.215 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252672636 165803802 /nfs/dbraw/zinc/80/38/02/165803802.db2.gz BRSYKBPJMGZITI-RYUDHWBXSA-N 1 1 295.770 3.287 20 5 CGBDMO COC[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119118294 287165285 /nfs/dbraw/zinc/16/52/85/287165285.db2.gz ACWAINNEYZNDSR-LLVKDONJSA-N 1 1 298.770 3.107 20 5 CGBDMO COc1ccccc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525948 171238961 /nfs/dbraw/zinc/23/89/61/171238961.db2.gz WHJNJRBNYFRTBU-LBPRGKRZSA-N 1 1 286.331 3.454 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC000035013321 171930847 /nfs/dbraw/zinc/93/08/47/171930847.db2.gz ACSJPXFSWKTVSV-LLVKDONJSA-N 1 1 260.293 3.347 20 5 CGBDMO CSCC[C@@H](C)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000126612063 287269040 /nfs/dbraw/zinc/26/90/40/287269040.db2.gz DAAKPCTXFCQATN-GFCCVEGCSA-N 1 1 298.408 3.047 20 5 CGBDMO Cc1csc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000038090925 174104818 /nfs/dbraw/zinc/10/48/18/174104818.db2.gz ADMJTOJSLDCUJI-JTQLQIEISA-N 1 1 277.349 3.211 20 5 CGBDMO CC(C)C[C@@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000037177167 270028663 /nfs/dbraw/zinc/02/86/63/270028663.db2.gz QBQQUHROVUHXNY-CJNGLKHVSA-N 1 1 293.411 3.222 20 5 CGBDMO C[C@H]1CCC[C@@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000520845191 270099439 /nfs/dbraw/zinc/09/94/39/270099439.db2.gz OWNATOUDWAQETF-DZGCQCFKSA-N 1 1 292.379 3.484 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CCCOC1 ZINC000266764131 278312830 /nfs/dbraw/zinc/31/28/30/278312830.db2.gz QTOSDHCNTSZZIH-CHWSQXEVSA-N 1 1 278.352 3.014 20 5 CGBDMO C[C@H]1SCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000336813960 280090936 /nfs/dbraw/zinc/09/09/36/280090936.db2.gz VYYGNHHFXHJQDH-VHSXEESVSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@H]1SCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000336813960 280090938 /nfs/dbraw/zinc/09/09/38/280090938.db2.gz VYYGNHHFXHJQDH-VHSXEESVSA-N 1 1 284.356 3.060 20 5 CGBDMO CCCC[N@@H+](C)CCNc1cccc(C)c1[N+](=O)[O-] ZINC000555140897 289329993 /nfs/dbraw/zinc/32/99/93/289329993.db2.gz ZBEJMWYEAJBKRY-UHFFFAOYSA-N 1 1 265.357 3.047 20 5 CGBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302781542 300220469 /nfs/dbraw/zinc/22/04/69/300220469.db2.gz RXEZGYVWBFNWAK-CMPLNLGQSA-N 1 1 297.786 3.025 20 5 CGBDMO CCc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000564312143 322026527 /nfs/dbraw/zinc/02/65/27/322026527.db2.gz CKPISPVSYCNXDH-UHFFFAOYSA-N 1 1 288.347 3.425 20 5 CGBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C ZINC000568389637 322206703 /nfs/dbraw/zinc/20/67/03/322206703.db2.gz STEKQWUMBAWOQZ-UHFFFAOYSA-N 1 1 256.733 3.479 20 5 CGBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C ZINC000568389637 322206706 /nfs/dbraw/zinc/20/67/06/322206706.db2.gz STEKQWUMBAWOQZ-UHFFFAOYSA-N 1 1 256.733 3.479 20 5 CGBDMO CC(C)[C@H]1[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000570950860 322286300 /nfs/dbraw/zinc/28/63/00/322286300.db2.gz JTKNHUVYEVNYOE-CQSZACIVSA-N 1 1 262.353 3.461 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H]1CCCC1(F)F)C2 ZINC000573071074 322368834 /nfs/dbraw/zinc/36/88/34/322368834.db2.gz CJFVNTJCUIHANA-GFCCVEGCSA-N 1 1 296.317 3.388 20 5 CGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000581688453 336128545 /nfs/dbraw/zinc/12/85/45/336128545.db2.gz CMAGQKXZQNFKNA-LBPRGKRZSA-N 1 1 265.357 3.127 20 5 CGBDMO CC[C@@H](C)C[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000111254422 521969686 /nfs/dbraw/zinc/96/96/86/521969686.db2.gz JPYLOULXZHURLC-SNVBAGLBSA-N 1 1 254.305 3.212 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000426476342 533823900 /nfs/dbraw/zinc/82/39/00/533823900.db2.gz ROTYZYYIHKMXFP-ZWNOBZJWSA-N 1 1 294.326 3.117 20 5 CGBDMO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccn(C)n2)cccc1[N+](=O)[O-] ZINC000414168906 533949776 /nfs/dbraw/zinc/94/97/76/533949776.db2.gz AQIRNVNMBSVVFJ-NEPJUHHUSA-N 1 1 288.351 3.049 20 5 CGBDMO CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000746663617 572889725 /nfs/dbraw/zinc/88/97/25/572889725.db2.gz SUPNGLGBMKISCA-UHFFFAOYSA-N 1 1 256.733 3.479 20 5 CGBDMO CC[C@@H](NC[C@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423250761 529178834 /nfs/dbraw/zinc/17/88/34/529178834.db2.gz VGLBWFUONNNFSY-DLBZAZTESA-N 1 1 299.374 3.336 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000728289558 571799916 /nfs/dbraw/zinc/79/99/16/571799916.db2.gz OWWPMSRQPNMPLZ-AWEZNQCLSA-N 1 1 278.327 3.498 20 5 CGBDMO COc1c(O)ccc(C[N@@H+](CC(C)C)C(C)C)c1[N+](=O)[O-] ZINC000891699276 618250331 /nfs/dbraw/zinc/25/03/31/618250331.db2.gz HVSRRLWARYDKRK-UHFFFAOYSA-N 1 1 296.367 3.175 20 5 CGBDMO COc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000892621166 618876237 /nfs/dbraw/zinc/87/62/37/618876237.db2.gz IAFTUKIPTSPXLO-SNVBAGLBSA-N 1 1 276.292 3.047 20 5 CGBDMO CC[C@H]([NH2+][C@H](C)c1cn(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000925232553 620254712 /nfs/dbraw/zinc/25/47/12/620254712.db2.gz XPURYTMHJAFNGV-RISCZKNCSA-N 1 1 288.351 3.130 20 5 CGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C/C=C/Cl ZINC000898428135 620585187 /nfs/dbraw/zinc/58/51/87/620585187.db2.gz HDHYMRDZLHORGT-DAFODLJHSA-N 1 1 294.660 3.456 20 5 CGBDMO C[N@@H+](CCc1cccs1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000174156933 623368037 /nfs/dbraw/zinc/36/80/37/623368037.db2.gz HQUOQHPBEASSHS-UHFFFAOYSA-N 1 1 294.351 3.470 20 5 CGBDMO CCCc1[nH+]ccn1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000070424194 625005504 /nfs/dbraw/zinc/00/55/04/625005504.db2.gz NGKJWOBQUPRUCZ-UHFFFAOYSA-N 1 1 279.727 3.446 20 5 CGBDMO CC[N@@H+](CCC1CC1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000775063049 628059937 /nfs/dbraw/zinc/05/99/37/628059937.db2.gz NINVJSJDSNTZMX-UHFFFAOYSA-N 1 1 293.323 3.125 20 5 CGBDMO CC(C)(C)[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582496 628220681 /nfs/dbraw/zinc/22/06/81/628220681.db2.gz RIXRNGVVMCUUHZ-HUUCEWRRSA-N 1 1 292.379 3.139 20 5 CGBDMO CC(C)[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584674 628221271 /nfs/dbraw/zinc/22/12/71/628221271.db2.gz OHDNWDUFFNYKLU-JKSUJKDBSA-N 1 1 292.379 3.139 20 5 CGBDMO CO[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1C ZINC000784669058 628828543 /nfs/dbraw/zinc/82/85/43/628828543.db2.gz YECTUXNHVYCBLT-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1C ZINC000784669058 628828545 /nfs/dbraw/zinc/82/85/45/628828545.db2.gz YECTUXNHVYCBLT-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO Cc1cc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000785836953 628890976 /nfs/dbraw/zinc/89/09/76/628890976.db2.gz JIHKQONQXBQREK-GHMZBOCLSA-N 1 1 297.786 3.085 20 5 CGBDMO Cc1cc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000785836953 628890977 /nfs/dbraw/zinc/89/09/77/628890977.db2.gz JIHKQONQXBQREK-GHMZBOCLSA-N 1 1 297.786 3.085 20 5 CGBDMO CO[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000824814875 633294860 /nfs/dbraw/zinc/29/48/60/633294860.db2.gz GBMRESLBWRFTMS-IINYFYTJSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000824814875 633294865 /nfs/dbraw/zinc/29/48/65/633294865.db2.gz GBMRESLBWRFTMS-IINYFYTJSA-N 1 1 298.770 3.105 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000877736211 635169220 /nfs/dbraw/zinc/16/92/20/635169220.db2.gz QTPSYMLUNZOHLT-ZIAGYGMSSA-N 1 1 292.404 3.088 20 5 CGBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])CC1CCCCC1 ZINC000885930713 637317091 /nfs/dbraw/zinc/31/70/91/637317091.db2.gz FOTVVDCNLIZWGN-UHFFFAOYSA-N 1 1 263.341 3.002 20 5 CGBDMO C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886018538 637367227 /nfs/dbraw/zinc/36/72/27/637367227.db2.gz BXUYYDHLURWGFU-VXGBXAGGSA-N 1 1 263.341 3.000 20 5 CGBDMO CC[C@@]1(C)CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886026370 637371318 /nfs/dbraw/zinc/37/13/18/637371318.db2.gz VDGCCUMUOUTKLS-AWEZNQCLSA-N 1 1 263.341 3.002 20 5 CGBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886027288 637373444 /nfs/dbraw/zinc/37/34/44/637373444.db2.gz CZNARKREJSMENJ-QWHCGFSZSA-N 1 1 295.408 3.096 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000886297357 637488838 /nfs/dbraw/zinc/48/88/38/637488838.db2.gz OOXQLHNGIBJDAU-OAHLLOKOSA-N 1 1 298.346 3.016 20 5 CGBDMO CC(C)[C@H](c1ccccc1)[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000112694811 638109483 /nfs/dbraw/zinc/10/94/83/638109483.db2.gz HTVLCSZNGLDIST-OAHLLOKOSA-N 1 1 288.351 3.078 20 5 CGBDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000112694811 638109487 /nfs/dbraw/zinc/10/94/87/638109487.db2.gz HTVLCSZNGLDIST-OAHLLOKOSA-N 1 1 288.351 3.078 20 5 CGBDMO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC[N+](=O)[O-] ZINC000929382689 638922662 /nfs/dbraw/zinc/92/26/62/638922662.db2.gz GZKVWYDWLYAVBT-QMMMGPOBSA-N 1 1 277.151 3.263 20 5 CGBDMO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC[N+](=O)[O-] ZINC000929382689 638922665 /nfs/dbraw/zinc/92/26/65/638922665.db2.gz GZKVWYDWLYAVBT-QMMMGPOBSA-N 1 1 277.151 3.263 20 5 CGBDMO CSCC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000932591791 639364057 /nfs/dbraw/zinc/36/40/57/639364057.db2.gz GZXXBWPEZUPNDI-UHFFFAOYSA-N 1 1 298.383 3.309 20 5 CGBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000934116202 639545804 /nfs/dbraw/zinc/54/58/04/639545804.db2.gz KSTLMXWMOZIYOO-TUKIKUTGSA-N 1 1 278.352 3.073 20 5 CGBDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774921 640801940 /nfs/dbraw/zinc/80/19/40/640801940.db2.gz UZHFGMZDWGVVFO-GHMZBOCLSA-N 1 1 266.316 3.354 20 5 CGBDMO CC[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774367 640802400 /nfs/dbraw/zinc/80/24/00/640802400.db2.gz IUVRAJQQCWYMLM-LLVKDONJSA-N 1 1 252.289 3.108 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC(C)C1 ZINC001254552000 806447515 /nfs/dbraw/zinc/44/75/15/806447515.db2.gz HUDHQAVZUSCQNP-MBHSVXNSSA-N 1 1 262.353 3.256 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](F)CC1 ZINC001254551449 806447869 /nfs/dbraw/zinc/44/78/69/806447869.db2.gz BENZMLRVKYYNAN-JSGCOSHPSA-N 1 1 280.343 3.350 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC13CCCC3)C2 ZINC001254593200 806457306 /nfs/dbraw/zinc/45/73/06/806457306.db2.gz JUXUPJVRGJITEU-HNNXBMFYSA-N 1 1 272.348 3.081 20 5 CGBDMO C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000037403720 798867814 /nfs/dbraw/zinc/86/78/14/798867814.db2.gz FFKNQSNTPHKMNH-SNVBAGLBSA-N 1 1 268.744 3.480 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000037403720 798867816 /nfs/dbraw/zinc/86/78/16/798867816.db2.gz FFKNQSNTPHKMNH-SNVBAGLBSA-N 1 1 268.744 3.480 20 5 CGBDMO COc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC001119954014 802714176 /nfs/dbraw/zinc/71/41/76/802714176.db2.gz GSWAPYKWJLEYFZ-UHFFFAOYSA-N 1 1 290.319 3.221 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2C2CCCCC2)C1 ZINC001169039662 807556709 /nfs/dbraw/zinc/55/67/09/807556709.db2.gz RXTOGRFAZGHTBS-VNQPRFMTSA-N 1 1 280.412 3.477 20 5 CGBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC001170336518 807826648 /nfs/dbraw/zinc/82/66/48/807826648.db2.gz YOEKEWWNVIIWTF-GFCCVEGCSA-N 1 1 290.363 3.020 20 5 CGBDMO C[C@@H]1[C@H](C)C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC001171305247 808024871 /nfs/dbraw/zinc/02/48/71/808024871.db2.gz APTKXNXCTAQANE-BBBLOLIVSA-N 1 1 284.306 3.349 20 5 CGBDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC001171305247 808024874 /nfs/dbraw/zinc/02/48/74/808024874.db2.gz APTKXNXCTAQANE-BBBLOLIVSA-N 1 1 284.306 3.349 20 5 CGBDMO CC(C)C[N@@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908239 808475904 /nfs/dbraw/zinc/47/59/04/808475904.db2.gz LCRMUYLVSVWVLP-OAHLLOKOSA-N 1 1 276.380 3.430 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](C)(CF)C1 ZINC001173222997 808540385 /nfs/dbraw/zinc/54/03/85/808540385.db2.gz WAZLONFUWYNBKE-SWLSCSKDSA-N 1 1 280.343 3.207 20 5 CGBDMO CC[C@@H]1CCC[N@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173228408 808541240 /nfs/dbraw/zinc/54/12/40/808541240.db2.gz WFQOFCXTNRPPDV-TZMCWYRMSA-N 1 1 262.353 3.400 20 5 CGBDMO C[C@]12CCCC[C@H]1C[N@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC001175103671 809272592 /nfs/dbraw/zinc/27/25/92/809272592.db2.gz OBAJHIYIWOGKSM-BBRMVZONSA-N 1 1 290.363 3.238 20 5 CGBDMO Cc1ccc(Nc2cnc3c(c2)C[N@@H+](C)CC3)c([N+](=O)[O-])c1 ZINC001214167623 815375899 /nfs/dbraw/zinc/37/58/99/815375899.db2.gz PUBYKBHHPHZLEP-UHFFFAOYSA-N 1 1 298.346 3.030 20 5 CGBDMO C[C@]12C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001198252022 811487624 /nfs/dbraw/zinc/48/76/24/811487624.db2.gz MLFXKKWOCBVNDC-PWXKEOIMSA-N 1 1 286.375 3.463 20 5 CGBDMO CCC[C@@H]1CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001198430660 811502425 /nfs/dbraw/zinc/50/24/25/811502425.db2.gz SVRXGERWUDDVFL-GFCCVEGCSA-N 1 1 264.325 3.065 20 5 CGBDMO C[N@H+]1CCc2ccc(Nc3cccc([N+](=O)[O-])c3)cc2C1 ZINC001204477615 812652655 /nfs/dbraw/zinc/65/26/55/812652655.db2.gz WLTDPKQTLUQBLQ-UHFFFAOYSA-N 1 1 283.331 3.326 20 5 CGBDMO O=[N+]([O-])c1cccc(Nc2c[nH+]c3ccccn23)c1F ZINC001210378332 814432042 /nfs/dbraw/zinc/43/20/42/814432042.db2.gz ICWXGCGUYZDFBK-UHFFFAOYSA-N 1 1 272.239 3.125 20 5 CGBDMO C[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC001226809240 817471182 /nfs/dbraw/zinc/47/11/82/817471182.db2.gz BNNVVWADXXYWEO-NSHDSACASA-N 1 1 284.743 3.111 20 5 CGBDMO C[C@@H](Oc1ccc2[nH+]ccn2c1)c1ccccc1[N+](=O)[O-] ZINC001233755857 818699492 /nfs/dbraw/zinc/69/94/92/818699492.db2.gz UWFYARBZPJZUKG-LLVKDONJSA-N 1 1 283.287 3.383 20 5 CGBDMO Cc1cc(O[C@@H]2CC[N@H+](C(C)C)C2)c(C)c(C)c1[N+](=O)[O-] ZINC001234869854 818940469 /nfs/dbraw/zinc/94/04/69/818940469.db2.gz CYGNTCMDYPSCAH-CQSZACIVSA-N 1 1 292.379 3.382 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)(C)C1(C)C ZINC001322503758 928513207 /nfs/dbraw/zinc/51/32/07/928513207.db2.gz YPRVLLAUXFRQQL-UHFFFAOYSA-N 1 1 278.352 3.224 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(C)(C)C1(C)C ZINC001322503758 928513216 /nfs/dbraw/zinc/51/32/16/928513216.db2.gz YPRVLLAUXFRQQL-UHFFFAOYSA-N 1 1 278.352 3.224 20 5 CGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C1CCC(C)(C)CC1 ZINC001459666599 937495561 /nfs/dbraw/zinc/49/55/61/937495561.db2.gz DYKJZAJXAZFROD-UHFFFAOYSA-N 1 1 294.399 3.000 20 5 CGBDMO CC[N@@H+]1[C@H](C)CN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC001460326224 937526533 /nfs/dbraw/zinc/52/65/33/937526533.db2.gz ABGWIXFEWSWVIX-HZSPNIEDSA-N 1 1 291.395 3.070 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](C)C[C@H]1C ZINC001461861824 937603191 /nfs/dbraw/zinc/60/31/91/937603191.db2.gz RJKGQLFCBFYEOM-ZYHUDNBSSA-N 1 1 262.353 3.442 20 5 CGBDMO CC[N@H+]1CCC[C@H](Oc2cc(C)c(C)c([N+](=O)[O-])c2)C1 ZINC001230476912 932576272 /nfs/dbraw/zinc/57/62/72/932576272.db2.gz HIHLZYVBOGGOGZ-ZDUSSCGKSA-N 1 1 278.352 3.075 20 5 CGBDMO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001307823476 933005058 /nfs/dbraw/zinc/00/50/58/933005058.db2.gz PCUVGDKTIBZSDX-JTQLQIEISA-N 1 1 291.738 3.494 20 5 CGBDMO C[C@H]1CCC(C)(C)[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001307834872 933006291 /nfs/dbraw/zinc/00/62/91/933006291.db2.gz POOAXFKZILREJD-LBPRGKRZSA-N 1 1 262.353 3.400 20 5 CGBDMO CC1(C)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001473205062 937797206 /nfs/dbraw/zinc/79/72/06/937797206.db2.gz BPPZUCDXJKPNOZ-UHFFFAOYSA-N 1 1 292.379 3.484 20 5 CGBDMO CO[C@@H](C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC001330547865 935294611 /nfs/dbraw/zinc/29/46/11/935294611.db2.gz SSFFIVGZCDAZKU-INIZCTEOSA-N 1 1 290.363 3.116 20 5 CGBDMO CO[C@@H](C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC001330547865 935294615 /nfs/dbraw/zinc/29/46/15/935294615.db2.gz SSFFIVGZCDAZKU-INIZCTEOSA-N 1 1 290.363 3.116 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(F)c(F)c2F)cc1 ZINC001473948054 937831776 /nfs/dbraw/zinc/83/17/76/937831776.db2.gz HWCSNUXUORAAIH-UHFFFAOYSA-N 1 1 296.248 3.302 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@@H]1F ZINC001474228396 937845374 /nfs/dbraw/zinc/84/53/74/937845374.db2.gz AQGVLFFKQNKURA-UONOGXRCSA-N 1 1 296.342 3.364 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000125358090 187181136 /nfs/dbraw/zinc/18/11/36/187181136.db2.gz LTCAZQICQKBZFN-HNNXBMFYSA-N 1 1 283.331 3.327 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000125358090 187181137 /nfs/dbraw/zinc/18/11/37/187181137.db2.gz LTCAZQICQKBZFN-HNNXBMFYSA-N 1 1 283.331 3.327 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061647 346897489 /nfs/dbraw/zinc/89/74/89/346897489.db2.gz BPKZLLPIXYRNNP-CYBMUJFWSA-N 1 1 260.337 3.217 20 5 CGBDMO CCc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000411448820 529657714 /nfs/dbraw/zinc/65/77/14/529657714.db2.gz FONLXEVZBBFTFX-GFCCVEGCSA-N 1 1 285.347 3.403 20 5 CGBDMO CC[N@@H+](CCSC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000592529946 346997402 /nfs/dbraw/zinc/99/74/02/346997402.db2.gz QTMQNOBKHOZFDI-UHFFFAOYSA-N 1 1 268.382 3.088 20 5 CGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000037404429 344949992 /nfs/dbraw/zinc/94/99/92/344949992.db2.gz DMFMNMFPCYMYQJ-JTQLQIEISA-N 1 1 295.770 3.144 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000059403269 345207297 /nfs/dbraw/zinc/20/72/97/345207297.db2.gz KNRIRXJAFYIFQX-CYBMUJFWSA-N 1 1 262.353 3.259 20 5 CGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CCCC1 ZINC000064014428 345255524 /nfs/dbraw/zinc/25/55/24/345255524.db2.gz OUXQBBWDSAHXJB-UHFFFAOYSA-N 1 1 278.352 3.096 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC2(C1)CCOCC2 ZINC000076177835 345537969 /nfs/dbraw/zinc/53/79/69/345537969.db2.gz WJRSFEXBIKGUET-CYBMUJFWSA-N 1 1 290.363 3.158 20 5 CGBDMO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000078679842 345618825 /nfs/dbraw/zinc/61/88/25/345618825.db2.gz ADNYLGWWUAQZQD-SECBINFHSA-N 1 1 275.308 3.050 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083127485 345724487 /nfs/dbraw/zinc/72/44/87/345724487.db2.gz VWHSJJQCQCSAGI-SNVBAGLBSA-N 1 1 275.308 3.110 20 5 CGBDMO C[C@H](NCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000173323493 232280342 /nfs/dbraw/zinc/28/03/42/232280342.db2.gz OXALDIYOOSIOSX-KBPBESRZSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@H](NCC[N@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000173323493 232280344 /nfs/dbraw/zinc/28/03/44/232280344.db2.gz OXALDIYOOSIOSX-KBPBESRZSA-N 1 1 291.395 3.120 20 5 CGBDMO CC(C)[C@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000140608761 346105406 /nfs/dbraw/zinc/10/54/06/346105406.db2.gz QOMDXLJJEHOMAL-CYBMUJFWSA-N 1 1 278.352 3.094 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](CO)CC1 ZINC000293102205 346430859 /nfs/dbraw/zinc/43/08/59/346430859.db2.gz LBZZDXDBGOAHKS-KBPBESRZSA-N 1 1 292.379 3.059 20 5 CGBDMO C[N@H+]1CCC[C@H](CNc2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000313990518 346481379 /nfs/dbraw/zinc/48/13/79/346481379.db2.gz RKDBDBGBRZSQSQ-SNVBAGLBSA-N 1 1 299.321 3.286 20 5 CGBDMO C[C@H](c1ccncc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000586773241 346733753 /nfs/dbraw/zinc/73/37/53/346733753.db2.gz GAJPNRUKNDWQDM-CYBMUJFWSA-N 1 1 285.347 3.225 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593694883 347104553 /nfs/dbraw/zinc/10/45/53/347104553.db2.gz DMRFRMUKAULDJI-KQIUPUNMSA-N 1 1 294.301 3.339 20 5 CGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000589598925 346801745 /nfs/dbraw/zinc/80/17/45/346801745.db2.gz HLWKHZNYZIINNI-GFCCVEGCSA-N 1 1 265.357 3.127 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000594597025 347198463 /nfs/dbraw/zinc/19/84/63/347198463.db2.gz CBMXXBIYZWXLHX-LSDHHAIUSA-N 1 1 275.352 3.024 20 5 CGBDMO O=[N+]([O-])c1ccccc1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594597957 347199400 /nfs/dbraw/zinc/19/94/00/347199400.db2.gz FKRKGAOQFQVELJ-OCCSQVGLSA-N 1 1 275.352 3.024 20 5 CGBDMO O=[N+]([O-])c1ccsc1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594603397 347200748 /nfs/dbraw/zinc/20/07/48/347200748.db2.gz UXGZJYZMVASBDK-MNOVXSKESA-N 1 1 281.381 3.085 20 5 CGBDMO Cc1cc[nH+]c(N[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000594516312 347186589 /nfs/dbraw/zinc/18/65/89/347186589.db2.gz XYLOWRXGAAMOQW-ZDUSSCGKSA-N 1 1 269.304 3.398 20 5 CGBDMO Cc1c([C@@H](C)[NH2+][C@@H](C)c2nccn2C)cccc1[N+](=O)[O-] ZINC000595109915 347285104 /nfs/dbraw/zinc/28/51/04/347285104.db2.gz WZNHRVLMAYBVQA-NEPJUHHUSA-N 1 1 288.351 3.049 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000595306056 347290435 /nfs/dbraw/zinc/29/04/35/347290435.db2.gz GWGOKVWWQMOPBD-AWEZNQCLSA-N 1 1 278.327 3.498 20 5 CGBDMO C[C@@H]1C[NH+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)S1 ZINC000595326632 347291812 /nfs/dbraw/zinc/29/18/12/347291812.db2.gz MRPIIOGGAYYLBF-NXEZZACHSA-N 1 1 284.356 3.060 20 5 CGBDMO CC(C)[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595337597 347294202 /nfs/dbraw/zinc/29/42/02/347294202.db2.gz BJWAXAFJGQRACA-NSHDSACASA-N 1 1 266.316 3.212 20 5 CGBDMO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000595814473 347358851 /nfs/dbraw/zinc/35/88/51/347358851.db2.gz HFBSDBMZUUMHHM-CYBMUJFWSA-N 1 1 290.363 3.128 20 5 CGBDMO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000595814473 347358855 /nfs/dbraw/zinc/35/88/55/347358855.db2.gz HFBSDBMZUUMHHM-CYBMUJFWSA-N 1 1 290.363 3.128 20 5 CGBDMO CC1(C)CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCS1 ZINC000595467874 347307818 /nfs/dbraw/zinc/30/78/18/347307818.db2.gz PWIPGKMLCFROLH-UHFFFAOYSA-N 1 1 298.383 3.451 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000595542840 347317511 /nfs/dbraw/zinc/31/75/11/347317511.db2.gz PHXDWZKWRQIRFL-GFCCVEGCSA-N 1 1 278.327 3.356 20 5 CGBDMO Cc1c(C[N@H+]2C[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000595566157 347320467 /nfs/dbraw/zinc/32/04/67/347320467.db2.gz LVZWYFYPIHASRI-ZFWWWQNUSA-N 1 1 260.337 3.278 20 5 CGBDMO CCCCC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595871558 347369231 /nfs/dbraw/zinc/36/92/31/347369231.db2.gz OZLPAHLBZCGNIK-AWEZNQCLSA-N 1 1 294.399 3.226 20 5 CGBDMO O=[N+]([O-])c1ccccc1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596570040 347480988 /nfs/dbraw/zinc/48/09/88/347480988.db2.gz HNYIJTNUTQYLFQ-CQSZACIVSA-N 1 1 289.379 3.129 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@]1(C)CCCS1 ZINC000600160463 347786077 /nfs/dbraw/zinc/78/60/77/347786077.db2.gz SMMOETAGFHWOEL-HNNXBMFYSA-N 1 1 294.420 3.355 20 5 CGBDMO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000602020159 347934341 /nfs/dbraw/zinc/93/43/41/347934341.db2.gz JLIZXBANMCLILS-JSGCOSHPSA-N 1 1 291.395 3.024 20 5 CGBDMO CC(C)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602430195 347956415 /nfs/dbraw/zinc/95/64/15/347956415.db2.gz WSACPJDOSRMIAB-UHFFFAOYSA-N 1 1 276.258 3.454 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCC[C@H]2CCO2)C2CC2)cc1 ZINC000602438227 347958463 /nfs/dbraw/zinc/95/84/63/347958463.db2.gz CKHGSHCALCOOPY-INIZCTEOSA-N 1 1 290.363 3.128 20 5 CGBDMO CC[C@@]1(O)CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000602983407 348052425 /nfs/dbraw/zinc/05/24/25/348052425.db2.gz JRVWIAQQHGRFCD-XJKSGUPXSA-N 1 1 292.379 3.201 20 5 CGBDMO Cc1cc(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000603857217 348099234 /nfs/dbraw/zinc/09/92/34/348099234.db2.gz DZXPTPJUWIUMKC-GXTWGEPZSA-N 1 1 291.395 3.436 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])s1 ZINC000609595611 348348608 /nfs/dbraw/zinc/34/86/08/348348608.db2.gz VSPIQIXVZLJJMA-LLVKDONJSA-N 1 1 283.397 3.333 20 5 CGBDMO C[C@@H]([N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1)C1(C)CC1 ZINC000610619600 348392714 /nfs/dbraw/zinc/39/27/14/348392714.db2.gz KWGBJDXKCGFHGE-SNVBAGLBSA-N 1 1 289.335 3.356 20 5 CGBDMO COc1cc(C[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000351985383 219278528 /nfs/dbraw/zinc/27/85/28/219278528.db2.gz VXLUWVVHPAPNHW-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO Cc1ccc(C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])nc1 ZINC000616152138 348791729 /nfs/dbraw/zinc/79/17/29/348791729.db2.gz VIMYZPCWYSNNBN-ALCCZGGFSA-N 1 1 297.358 3.443 20 5 CGBDMO COc1cc(C[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000351985383 219278529 /nfs/dbraw/zinc/27/85/29/219278529.db2.gz VXLUWVVHPAPNHW-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO O=[N+]([O-])c1sccc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000617976639 349032099 /nfs/dbraw/zinc/03/20/99/349032099.db2.gz FVIWBAUOZBCISI-NSHDSACASA-N 1 1 281.381 3.085 20 5 CGBDMO Cc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000044986094 137897211 /nfs/dbraw/zinc/89/72/11/137897211.db2.gz GLDWTLMNUDJLIH-NSHDSACASA-N 1 1 275.308 3.050 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000107829706 138358811 /nfs/dbraw/zinc/35/88/11/138358811.db2.gz FTMRZTHFYRGUOM-WDEREUQCSA-N 1 1 295.770 3.287 20 5 CGBDMO CO[C@@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)C1CC1 ZINC000425411642 236244874 /nfs/dbraw/zinc/24/48/74/236244874.db2.gz YWTTVVRXIYRBIT-INIZCTEOSA-N 1 1 292.379 3.230 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000301562754 201068483 /nfs/dbraw/zinc/06/84/83/201068483.db2.gz LAPQBTWWIURGCR-CYBMUJFWSA-N 1 1 277.368 3.190 20 5 CGBDMO CC(C)[N@H+]1CCC[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000301986638 201289236 /nfs/dbraw/zinc/28/92/36/201289236.db2.gz KHMHXCACKHBUOT-NSHDSACASA-N 1 1 283.397 3.189 20 5 CGBDMO CC(C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000119764135 370706701 /nfs/dbraw/zinc/70/67/01/370706701.db2.gz YCKUGQUYOSCHMX-UHFFFAOYSA-N 1 1 278.352 3.237 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC(C)(C)C ZINC000463374324 242396340 /nfs/dbraw/zinc/39/63/40/242396340.db2.gz HOFYKCLVQQUGFO-UHFFFAOYSA-N 1 1 280.368 3.471 20 5 CGBDMO CC[C@H]1[C@H](C)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000481404993 243193582 /nfs/dbraw/zinc/19/35/82/243193582.db2.gz SNTHYFNNWAPWLY-OLZOCXBDSA-N 1 1 278.352 3.094 20 5 CGBDMO COc1cc(C[N@@H+]2CCC(C)=C(C)C2)c([N+](=O)[O-])cc1F ZINC000483378751 243279658 /nfs/dbraw/zinc/27/96/58/243279658.db2.gz ZQLVJLQGUWFKKZ-UHFFFAOYSA-N 1 1 294.326 3.285 20 5 CGBDMO COc1cc(C[N@H+]2CCC(C)=C(C)C2)c([N+](=O)[O-])cc1F ZINC000483378751 243279660 /nfs/dbraw/zinc/27/96/60/243279660.db2.gz ZQLVJLQGUWFKKZ-UHFFFAOYSA-N 1 1 294.326 3.285 20 5 CGBDMO COc1ccccc1[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020097019 368802401 /nfs/dbraw/zinc/80/24/01/368802401.db2.gz KUQIJQXMMRDQLV-LBPRGKRZSA-N 1 1 286.331 3.454 20 5 CGBDMO COc1ccc(C[NH2+][C@@H](C)c2ccco2)cc1[N+](=O)[O-] ZINC000035739324 369004323 /nfs/dbraw/zinc/00/43/23/369004323.db2.gz ODZFNZNMYBOQGZ-JTQLQIEISA-N 1 1 276.292 3.047 20 5 CGBDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000037150672 369069866 /nfs/dbraw/zinc/06/98/66/369069866.db2.gz GUHNQEWSLZCLGF-NSHDSACASA-N 1 1 272.304 3.151 20 5 CGBDMO CCOc1cc(C[N@@H+](CC)C(C)C)ccc1[N+](=O)[O-] ZINC000492661009 244004374 /nfs/dbraw/zinc/00/43/74/244004374.db2.gz ZMHJSUZZCPBPTD-UHFFFAOYSA-N 1 1 266.341 3.224 20 5 CGBDMO CCOc1cc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000492821635 244030894 /nfs/dbraw/zinc/03/08/94/244030894.db2.gz ZJQIYUOVDMRSQN-KBPBESRZSA-N 1 1 290.363 3.368 20 5 CGBDMO CC(C)[N@@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350572 369652828 /nfs/dbraw/zinc/65/28/28/369652828.db2.gz YGNLEVSTNAVQMK-UHFFFAOYSA-N 1 1 299.374 3.443 20 5 CGBDMO CCC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000343988378 217005373 /nfs/dbraw/zinc/00/53/73/217005373.db2.gz WSUMCACRTOLFRF-AWEZNQCLSA-N 1 1 277.368 3.190 20 5 CGBDMO CC(C)C[C@@H]1CCCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331700088 204086748 /nfs/dbraw/zinc/08/67/48/204086748.db2.gz ZFJVCXPJPJQVIC-ZDUSSCGKSA-N 1 1 294.399 3.119 20 5 CGBDMO CC[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000151707418 371627681 /nfs/dbraw/zinc/62/76/81/371627681.db2.gz NHNRPLDJPAMHEM-DZGCQCFKSA-N 1 1 291.395 3.120 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344060904 217033121 /nfs/dbraw/zinc/03/31/21/217033121.db2.gz MMHROCDGCZMBHI-ZDUSSCGKSA-N 1 1 290.363 3.392 20 5 CGBDMO CC[NH+]1CCC(N[C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000159292523 372127181 /nfs/dbraw/zinc/12/71/81/372127181.db2.gz MCCGAJFIHNHAGM-CYBMUJFWSA-N 1 1 291.395 3.038 20 5 CGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000433794445 372633687 /nfs/dbraw/zinc/63/36/87/372633687.db2.gz YCHOZPJJJZJFED-OAHLLOKOSA-N 1 1 275.352 3.024 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCCCCO ZINC000435058188 372731865 /nfs/dbraw/zinc/73/18/65/372731865.db2.gz TUVPIMGDWDLWEI-KAMYIIQDSA-N 1 1 292.379 3.093 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295497941 372803449 /nfs/dbraw/zinc/80/34/49/372803449.db2.gz NQSMOQXOGZBUPW-STQMWFEESA-N 1 1 292.379 3.139 20 5 CGBDMO C[C@H](CNc1cccc(F)c1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000301100868 373661052 /nfs/dbraw/zinc/66/10/52/373661052.db2.gz ONFAEXYHCBTDMF-NWDGAFQWSA-N 1 1 295.358 3.266 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000177200625 373662575 /nfs/dbraw/zinc/66/25/75/373662575.db2.gz CKXYSBIBAHAPKK-GJZGRUSLSA-N 1 1 292.404 3.455 20 5 CGBDMO CCCC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000301133213 373672617 /nfs/dbraw/zinc/67/26/17/373672617.db2.gz VDTWADIREFRPJQ-ZDUSSCGKSA-N 1 1 292.383 3.056 20 5 CGBDMO CCC[N@H+]1CC[C@H](CNc2cccc(C)c2[N+](=O)[O-])C1 ZINC000302524418 373887035 /nfs/dbraw/zinc/88/70/35/373887035.db2.gz ZHXGLUZUVUUZEQ-CYBMUJFWSA-N 1 1 277.368 3.047 20 5 CGBDMO C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182204216 374234572 /nfs/dbraw/zinc/23/45/72/374234572.db2.gz BUUXATIPHLCIRM-SECBINFHSA-N 1 1 254.717 3.233 20 5 CGBDMO C[C@H]([NH2+]Cc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000315077948 374324450 /nfs/dbraw/zinc/32/44/50/374324450.db2.gz PQVWJBIVZHUUSI-NSHDSACASA-N 1 1 296.330 3.322 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000183355431 374406204 /nfs/dbraw/zinc/40/62/04/374406204.db2.gz SBPLQHWBJZXDRS-NWDGAFQWSA-N 1 1 280.393 3.229 20 5 CGBDMO Cc1ncccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000183810179 374459445 /nfs/dbraw/zinc/45/94/45/374459445.db2.gz NLTZCIHIRLNJKF-UHFFFAOYSA-N 1 1 291.738 3.241 20 5 CGBDMO CC(C)[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331475150 374535393 /nfs/dbraw/zinc/53/53/93/374535393.db2.gz LESDWCVFQDSZFX-CQSZACIVSA-N 1 1 288.351 3.092 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC([C@@H]3CCCO3)CC2)cs1 ZINC000189209585 375342223 /nfs/dbraw/zinc/34/22/23/375342223.db2.gz VZPIWNKFOKQZDH-ZDUSSCGKSA-N 1 1 296.392 3.047 20 5 CGBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000227550105 376399160 /nfs/dbraw/zinc/39/91/60/376399160.db2.gz LYGZMNJGYQYNTQ-UHFFFAOYSA-N 1 1 283.759 3.144 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](CC3CC3)C2)c(F)c1 ZINC000339683631 376809803 /nfs/dbraw/zinc/80/98/03/376809803.db2.gz NXAUDAMDYHCQST-LBPRGKRZSA-N 1 1 278.327 3.356 20 5 CGBDMO CC[N@@H+]1CCCC[C@H]1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245469607 376825912 /nfs/dbraw/zinc/82/59/12/376825912.db2.gz VIOGIHQMPFVFOD-CJNGLKHVSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[N@H+]1CCCC[C@H]1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245469607 376825919 /nfs/dbraw/zinc/82/59/19/376825919.db2.gz VIOGIHQMPFVFOD-CJNGLKHVSA-N 1 1 291.395 3.120 20 5 CGBDMO CCOc1cc(NCC[N@@H+](C)[C@@H](C)CC)ccc1[N+](=O)[O-] ZINC000092642878 249034602 /nfs/dbraw/zinc/03/46/02/249034602.db2.gz YKCGAXNURMYWRB-LBPRGKRZSA-N 1 1 295.383 3.136 20 5 CGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](CC2CC2)C1 ZINC000573819596 377580343 /nfs/dbraw/zinc/58/03/43/377580343.db2.gz FKRFPNHKTNMMIP-CQSZACIVSA-N 1 1 290.363 3.096 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000341474144 377580986 /nfs/dbraw/zinc/58/09/86/377580986.db2.gz BGCHRIACVHQKIB-VIFPVBQESA-N 1 1 254.717 3.090 20 5 CGBDMO CO[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC[C@H]1C ZINC000252040265 377612702 /nfs/dbraw/zinc/61/27/02/377612702.db2.gz ZJEGICGRQLKHOE-LALPHHSUSA-N 1 1 278.352 3.013 20 5 CGBDMO CC(C)[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000269639660 378247401 /nfs/dbraw/zinc/24/74/01/378247401.db2.gz IOIRFPCBIQWFAC-MRXNPFEDSA-N 1 1 292.379 3.281 20 5 CGBDMO Cc1noc(C[NH2+]C(C)(C)c2ccccc2C)c1[N+](=O)[O-] ZINC000595504351 378401852 /nfs/dbraw/zinc/40/18/52/378401852.db2.gz CJNVXOXJFWGCRS-UHFFFAOYSA-N 1 1 289.335 3.225 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccnc1 ZINC000271053873 378441274 /nfs/dbraw/zinc/44/12/74/378441274.db2.gz YIAPXVVIDHKKFC-LBPRGKRZSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccnc1 ZINC000271053873 378441285 /nfs/dbraw/zinc/44/12/85/378441285.db2.gz YIAPXVVIDHKKFC-LBPRGKRZSA-N 1 1 271.320 3.183 20 5 CGBDMO Cc1cccc(C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000347381474 218213374 /nfs/dbraw/zinc/21/33/74/218213374.db2.gz HXVPURGWTCHSTK-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1cccc(C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000347381474 218213375 /nfs/dbraw/zinc/21/33/75/218213375.db2.gz HXVPURGWTCHSTK-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000347585380 218281643 /nfs/dbraw/zinc/28/16/43/218281643.db2.gz UEWKONNRLGMQGT-NWDGAFQWSA-N 1 1 278.352 3.081 20 5 CGBDMO CC(C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000349840580 379416400 /nfs/dbraw/zinc/41/64/00/379416400.db2.gz RGQJAQHQBOOZKS-UHFFFAOYSA-N 1 1 288.294 3.284 20 5 CGBDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267012073 190297367 /nfs/dbraw/zinc/29/73/67/190297367.db2.gz NAKQBTCEJMRULL-SNVBAGLBSA-N 1 1 286.372 3.307 20 5 CGBDMO Cc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000280621017 379748241 /nfs/dbraw/zinc/74/82/41/379748241.db2.gz ZUAIVHHKXOYURI-DZGCQCFKSA-N 1 1 292.379 3.029 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352541614 379851285 /nfs/dbraw/zinc/85/12/85/379851285.db2.gz ZYOGEEZBDBGLRM-NEPJUHHUSA-N 1 1 278.352 3.224 20 5 CGBDMO CC[C@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352426180 379811340 /nfs/dbraw/zinc/81/13/40/379811340.db2.gz RHKVJZCBELAVAC-NSHDSACASA-N 1 1 266.341 3.081 20 5 CGBDMO CCC(C)(C)CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347779608 218354195 /nfs/dbraw/zinc/35/41/95/218354195.db2.gz FLSCCOXIRZNEEI-UHFFFAOYSA-N 1 1 277.368 3.174 20 5 CGBDMO CO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000282282043 379889669 /nfs/dbraw/zinc/88/96/69/379889669.db2.gz IHXQRPKGXHRMFN-ZWNOBZJWSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000282282043 379889676 /nfs/dbraw/zinc/88/96/76/379889676.db2.gz IHXQRPKGXHRMFN-ZWNOBZJWSA-N 1 1 298.770 3.248 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CC2CC2)C2CCC2)cc1 ZINC000355736977 380764654 /nfs/dbraw/zinc/76/46/54/380764654.db2.gz VGXFCMXDEZTZPL-UHFFFAOYSA-N 1 1 260.337 3.359 20 5 CGBDMO CO[C@@H](CC(C)C)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000419269736 380791717 /nfs/dbraw/zinc/79/17/17/380791717.db2.gz PFYHZLXYBJPOFA-HNNXBMFYSA-N 1 1 294.395 3.130 20 5 CGBDMO CC[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000356984929 380971909 /nfs/dbraw/zinc/97/19/09/380971909.db2.gz ILLPAXLGSLUMBG-DZGCQCFKSA-N 1 1 292.379 3.232 20 5 CGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000357558001 381209719 /nfs/dbraw/zinc/20/97/19/381209719.db2.gz ZLBLECOKUKCUJW-GHMZBOCLSA-N 1 1 266.316 3.497 20 5 CGBDMO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@@H](C)C1 ZINC000361629513 381847289 /nfs/dbraw/zinc/84/72/89/381847289.db2.gz KTPGENLZZZFUPP-HIFRSBDPSA-N 1 1 292.379 3.232 20 5 CGBDMO Cc1[nH+]ccn1CCCOc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000288741774 197156132 /nfs/dbraw/zinc/15/61/32/197156132.db2.gz CZGRDFPNBIEKEF-UHFFFAOYSA-N 1 1 295.726 3.222 20 5 CGBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000191638688 130268068 /nfs/dbraw/zinc/26/80/68/130268068.db2.gz YKPPTWMPOHSKLP-CQSZACIVSA-N 1 1 298.408 3.029 20 5 CGBDMO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000092326467 392231570 /nfs/dbraw/zinc/23/15/70/392231570.db2.gz QWSSWZVVLSRRKS-SECBINFHSA-N 1 1 275.308 3.050 20 5 CGBDMO CO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000282056750 392277701 /nfs/dbraw/zinc/27/77/01/392277701.db2.gz BGYHWJDNBQXGAT-GXFFZTMASA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000282056750 392277706 /nfs/dbraw/zinc/27/77/06/392277706.db2.gz BGYHWJDNBQXGAT-GXFFZTMASA-N 1 1 298.770 3.248 20 5 CGBDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000109781134 392372510 /nfs/dbraw/zinc/37/25/10/392372510.db2.gz ORGZPFZNJFVHEQ-LBPRGKRZSA-N 1 1 286.331 3.493 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC3(CCO3)CC2)c1 ZINC000367093092 392472007 /nfs/dbraw/zinc/47/20/07/392472007.db2.gz RKYKQPKDCLLWLU-UHFFFAOYSA-N 1 1 296.754 3.003 20 5 CGBDMO Cc1cccc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)[nH+]1 ZINC000158129789 392557076 /nfs/dbraw/zinc/55/70/76/392557076.db2.gz ULMMWJNKWSJNKP-UHFFFAOYSA-N 1 1 283.331 3.467 20 5 CGBDMO CCC[C@@H](C)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509277356 392741467 /nfs/dbraw/zinc/74/14/67/392741467.db2.gz AVVGEUIGFCLVJW-SECBINFHSA-N 1 1 272.295 3.493 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509277356 392741477 /nfs/dbraw/zinc/74/14/77/392741477.db2.gz AVVGEUIGFCLVJW-SECBINFHSA-N 1 1 272.295 3.493 20 5 CGBDMO CC[C@@H]([NH2+][C@H](C)c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000183081523 392753747 /nfs/dbraw/zinc/75/37/47/392753747.db2.gz BOMVHWSUDBTEJW-BXUZGUMPSA-N 1 1 288.351 3.130 20 5 CGBDMO C[C@H]1CCCC[N@H+]1CCCCNc1ncc([N+](=O)[O-])s1 ZINC000195509057 392969635 /nfs/dbraw/zinc/96/96/35/392969635.db2.gz GOLRFJFRYAQFKG-NSHDSACASA-N 1 1 298.412 3.118 20 5 CGBDMO CC[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H](C)O1 ZINC000245513720 393041760 /nfs/dbraw/zinc/04/17/60/393041760.db2.gz ASOLXQKOEZSJFE-VNHYZAJKSA-N 1 1 292.379 3.464 20 5 CGBDMO CC[C@@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H](C)O1 ZINC000245513720 393041769 /nfs/dbraw/zinc/04/17/69/393041769.db2.gz ASOLXQKOEZSJFE-VNHYZAJKSA-N 1 1 292.379 3.464 20 5 CGBDMO Cc1ccoc1C[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000430135924 393528981 /nfs/dbraw/zinc/52/89/81/393528981.db2.gz HIWMJLXSTRVHSO-UHFFFAOYSA-N 1 1 274.320 3.437 20 5 CGBDMO Cc1ccoc1C[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000430135924 393528988 /nfs/dbraw/zinc/52/89/88/393528988.db2.gz HIWMJLXSTRVHSO-UHFFFAOYSA-N 1 1 274.320 3.437 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000430203978 393539070 /nfs/dbraw/zinc/53/90/70/393539070.db2.gz QDHQBWAAWDZPFX-CYBMUJFWSA-N 1 1 292.379 3.471 20 5 CGBDMO COc1cc(C[N@@H+]2CC(C)=C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000430285998 393560582 /nfs/dbraw/zinc/56/05/82/393560582.db2.gz WDDFTUZZZPVATE-LLVKDONJSA-N 1 1 276.336 3.001 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421044225 393586721 /nfs/dbraw/zinc/58/67/21/393586721.db2.gz SBROKNZNCAVUII-UONOGXRCSA-N 1 1 292.379 3.140 20 5 CGBDMO CCOc1cc(C[N@H+]2CC[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000492626697 393764622 /nfs/dbraw/zinc/76/46/22/393764622.db2.gz BKTSOVAJLRXITL-GFCCVEGCSA-N 1 1 278.352 3.225 20 5 CGBDMO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000501775650 393860942 /nfs/dbraw/zinc/86/09/42/393860942.db2.gz MCKOAVPCNCYPAO-STQMWFEESA-N 1 1 262.353 3.115 20 5 CGBDMO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000080256265 165153672 /nfs/dbraw/zinc/15/36/72/165153672.db2.gz BVYYJVGAZHCEDV-LBPRGKRZSA-N 1 1 277.349 3.292 20 5 CGBDMO COCCC[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000092537227 165301729 /nfs/dbraw/zinc/30/17/29/165301729.db2.gz JMLOYDGBFDBXJX-UHFFFAOYSA-N 1 1 280.368 3.187 20 5 CGBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC1CCC1 ZINC000119102606 287164923 /nfs/dbraw/zinc/16/49/23/287164923.db2.gz OQZBIDWWUNUHQK-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC1CCC1 ZINC000119102606 287164926 /nfs/dbraw/zinc/16/49/26/287164926.db2.gz OQZBIDWWUNUHQK-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000284859748 196146646 /nfs/dbraw/zinc/14/66/46/196146646.db2.gz DCNMLJZFQGSBEG-HZPDHXFCSA-N 1 1 290.363 3.047 20 5 CGBDMO CSCC[C@@H](C)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000126570950 287268113 /nfs/dbraw/zinc/26/81/13/287268113.db2.gz DJWJXLHLUNPBDW-GFCCVEGCSA-N 1 1 298.408 3.047 20 5 CGBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000285439493 196284744 /nfs/dbraw/zinc/28/47/44/196284744.db2.gz CUGAXYXOJCSLDB-AAEUAGOBSA-N 1 1 298.408 3.172 20 5 CGBDMO C[C@H]1CCCC[N@H+]1CCCNc1cccc(F)c1[N+](=O)[O-] ZINC000037420632 173197363 /nfs/dbraw/zinc/19/73/63/173197363.db2.gz ZDCPNSWKRGVKLW-LBPRGKRZSA-N 1 1 295.358 3.410 20 5 CGBDMO C[C@@H](CNc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000071954213 176304655 /nfs/dbraw/zinc/30/46/55/176304655.db2.gz WFPBEVPQSHDGCR-OLZOCXBDSA-N 1 1 277.368 3.127 20 5 CGBDMO CCCC[N@@H+](CC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000131786436 287389411 /nfs/dbraw/zinc/38/94/11/287389411.db2.gz VXBHDLRHLYMREW-GFCCVEGCSA-N 1 1 293.367 3.044 20 5 CGBDMO COCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000272488587 263005370 /nfs/dbraw/zinc/00/53/70/263005370.db2.gz FCUCUIHRBNWPDI-CQSZACIVSA-N 1 1 290.319 3.055 20 5 CGBDMO CC(C)[N@H+]1CC[C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000040624115 270029780 /nfs/dbraw/zinc/02/97/80/270029780.db2.gz DAGWFQAYMHKWLD-LLVKDONJSA-N 1 1 297.786 3.390 20 5 CGBDMO CCCC[N@@H+](C)C[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000519796333 270097933 /nfs/dbraw/zinc/09/79/33/270097933.db2.gz XCLCGALQOGRCSK-ZIAGYGMSSA-N 1 1 293.411 3.366 20 5 CGBDMO CCCCN(C)C[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000519796333 270097934 /nfs/dbraw/zinc/09/79/34/270097934.db2.gz XCLCGALQOGRCSK-ZIAGYGMSSA-N 1 1 293.411 3.366 20 5 CGBDMO CC(C)c1[nH+]ccn1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000070422983 276068205 /nfs/dbraw/zinc/06/82/05/276068205.db2.gz KCBYUXFGJTZHGG-UHFFFAOYSA-N 1 1 263.272 3.102 20 5 CGBDMO CS[C@@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000296052485 278146081 /nfs/dbraw/zinc/14/60/81/278146081.db2.gz AYZNAKCRDUBWFG-WCQYABFASA-N 1 1 280.393 3.402 20 5 CGBDMO C[C@@H]([N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1(C)CC1 ZINC000194063227 278303381 /nfs/dbraw/zinc/30/33/81/278303381.db2.gz SVPYUJZSKZTLOV-SNVBAGLBSA-N 1 1 293.323 3.123 20 5 CGBDMO CCCC[N@@H+](C)C[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000571441424 322298963 /nfs/dbraw/zinc/29/89/63/322298963.db2.gz XCLCGALQOGRCSK-KBPBESRZSA-N 1 1 293.411 3.366 20 5 CGBDMO CCCCN(C)C[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000571441424 322298964 /nfs/dbraw/zinc/29/89/64/322298964.db2.gz XCLCGALQOGRCSK-KBPBESRZSA-N 1 1 293.411 3.366 20 5 CGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CC3(F)CC3)C2)cc1 ZINC000583064857 329309381 /nfs/dbraw/zinc/30/93/81/329309381.db2.gz UMQGIUSXDFXOBE-ZDUSSCGKSA-N 1 1 278.327 3.276 20 5 CGBDMO Cc1c(C[N@H+]2C[C@H](C)OC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000581368002 336062318 /nfs/dbraw/zinc/06/23/18/336062318.db2.gz FSBOPOLAAMMMMA-LBPRGKRZSA-N 1 1 290.363 3.047 20 5 CGBDMO Cc1c(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000581368002 336062320 /nfs/dbraw/zinc/06/23/20/336062320.db2.gz FSBOPOLAAMMMMA-LBPRGKRZSA-N 1 1 290.363 3.047 20 5 CGBDMO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000423352277 533925670 /nfs/dbraw/zinc/92/56/70/533925670.db2.gz AFQYEQSGISCROI-LBPRGKRZSA-N 1 1 297.358 3.049 20 5 CGBDMO COc1cc(C[N@@H+](C)C2CCCC2)c([N+](=O)[O-])cc1F ZINC000184231453 522345369 /nfs/dbraw/zinc/34/53/69/522345369.db2.gz CLYIQYMCWCYSGT-UHFFFAOYSA-N 1 1 282.315 3.117 20 5 CGBDMO Cc1occc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000748819596 572986291 /nfs/dbraw/zinc/98/62/91/572986291.db2.gz JGYKGLCGNWGJCU-UHFFFAOYSA-N 1 1 280.711 3.439 20 5 CGBDMO COc1c(O)ccc(C[N@H+]2CCCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000892037066 618500017 /nfs/dbraw/zinc/50/00/17/618500017.db2.gz VRAUGAYIROLPDF-NSHDSACASA-N 1 1 294.351 3.074 20 5 CGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cncs1 ZINC000934195777 618526052 /nfs/dbraw/zinc/52/60/52/618526052.db2.gz RAYTZLBVCQJEJW-QMMMGPOBSA-N 1 1 281.312 3.041 20 5 CGBDMO C[N@H+](Cc1ccco1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000035701842 619048635 /nfs/dbraw/zinc/04/86/35/619048635.db2.gz SMECPSHXTCJWLI-UHFFFAOYSA-N 1 1 280.711 3.473 20 5 CGBDMO C[N@@H+](Cc1ccco1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000035701842 619048637 /nfs/dbraw/zinc/04/86/37/619048637.db2.gz SMECPSHXTCJWLI-UHFFFAOYSA-N 1 1 280.711 3.473 20 5 CGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCCO1 ZINC000048953926 619667074 /nfs/dbraw/zinc/66/70/74/619667074.db2.gz SYUPGSQHXGKZIK-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCCO1 ZINC000048953926 619667079 /nfs/dbraw/zinc/66/70/79/619667079.db2.gz SYUPGSQHXGKZIK-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO COc1cc([C@H](C)[NH2+]Cc2ccc(C)o2)cc([N+](=O)[O-])c1 ZINC000903212061 621631333 /nfs/dbraw/zinc/63/13/33/621631333.db2.gz JGLKXTMKBWSBHY-NSHDSACASA-N 1 1 290.319 3.356 20 5 CGBDMO C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccn1 ZINC000061014257 623088628 /nfs/dbraw/zinc/08/86/28/623088628.db2.gz MVFLAOFSQWNFKL-JTQLQIEISA-N 1 1 291.738 3.494 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000761044591 623653635 /nfs/dbraw/zinc/65/36/35/623653635.db2.gz BGNDPLLEQWSGGL-LLVKDONJSA-N 1 1 288.269 3.022 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C ZINC000752091460 626418748 /nfs/dbraw/zinc/41/87/48/626418748.db2.gz IIXPKGFAJYJWRD-UWVGGRQHSA-N 1 1 268.744 3.479 20 5 CGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H]1CCCCO1 ZINC000761505142 627046591 /nfs/dbraw/zinc/04/65/91/627046591.db2.gz GMMLKPGTEZRSFO-LBPRGKRZSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000772346544 627786249 /nfs/dbraw/zinc/78/62/49/627786249.db2.gz OMDAYYZEHAFASP-MFKMUULPSA-N 1 1 266.316 3.497 20 5 CGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000772346545 627786760 /nfs/dbraw/zinc/78/67/60/627786760.db2.gz OMDAYYZEHAFASP-ZWNOBZJWSA-N 1 1 266.316 3.497 20 5 CGBDMO C[C@@H]([N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC000774841053 628037116 /nfs/dbraw/zinc/03/71/16/628037116.db2.gz MTRQQRKSDHVHHD-SNVBAGLBSA-N 1 1 295.339 3.369 20 5 CGBDMO CC(C)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000775445360 628095951 /nfs/dbraw/zinc/09/59/51/628095951.db2.gz FJDUUANCJIPYQV-MRXNPFEDSA-N 1 1 285.347 3.477 20 5 CGBDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000782912955 628667749 /nfs/dbraw/zinc/66/77/49/628667749.db2.gz MOIIYTWWPLTXIB-VIFPVBQESA-N 1 1 295.726 3.119 20 5 CGBDMO CC(C)CC[C@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000863670932 629640553 /nfs/dbraw/zinc/64/05/53/629640553.db2.gz UVXMLLRLKZMQJD-QMMMGPOBSA-N 1 1 296.352 3.142 20 5 CGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H]3C[C@H]32)c1 ZINC000815079076 631712537 /nfs/dbraw/zinc/71/25/37/631712537.db2.gz MAGHJAWUJASQLR-QPUJVOFHSA-N 1 1 286.253 3.208 20 5 CGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H]3C[C@H]32)c1 ZINC000815079076 631712542 /nfs/dbraw/zinc/71/25/42/631712542.db2.gz MAGHJAWUJASQLR-QPUJVOFHSA-N 1 1 286.253 3.208 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879959757 635889277 /nfs/dbraw/zinc/88/92/77/635889277.db2.gz RQXDYGASOFNCOX-GXTWGEPZSA-N 1 1 292.379 3.139 20 5 CGBDMO CCC(F)(F)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866400041 633123738 /nfs/dbraw/zinc/12/37/38/633123738.db2.gz VMIUMBICYZVXCC-VIFPVBQESA-N 1 1 290.285 3.300 20 5 CGBDMO CO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000824814705 633294633 /nfs/dbraw/zinc/29/46/33/633294633.db2.gz DQGVQVBNSWVDCK-IINYFYTJSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000824814705 633294652 /nfs/dbraw/zinc/29/46/52/633294652.db2.gz DQGVQVBNSWVDCK-IINYFYTJSA-N 1 1 298.770 3.105 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879621886 635820037 /nfs/dbraw/zinc/82/00/37/635820037.db2.gz GKONLSYTVGLGMC-JSGCOSHPSA-N 1 1 292.379 3.057 20 5 CGBDMO Cc1ccc(C[N@H+]2CCC[C@@H](CF)C2)cc1[N+](=O)[O-] ZINC000880239076 635949630 /nfs/dbraw/zinc/94/96/30/635949630.db2.gz ULKTWLZYCIYXGV-ZDUSSCGKSA-N 1 1 266.316 3.085 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCCOC1 ZINC000846052490 636139288 /nfs/dbraw/zinc/13/92/88/636139288.db2.gz OSROGNJGCIGEED-GFCCVEGCSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H]1CCCO1 ZINC000131033427 636546165 /nfs/dbraw/zinc/54/61/65/636546165.db2.gz DEBLPBXAVHXWLY-LBPRGKRZSA-N 1 1 298.770 3.249 20 5 CGBDMO Cc1ccccc1[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885977898 637340742 /nfs/dbraw/zinc/34/07/42/637340742.db2.gz NXZRRPKIUBDGDS-AWEZNQCLSA-N 1 1 297.358 3.288 20 5 CGBDMO CCOCC[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000111119214 637768125 /nfs/dbraw/zinc/76/81/25/637768125.db2.gz FHDPIRUEXJQWBS-UHFFFAOYSA-N 1 1 286.759 3.107 20 5 CGBDMO CCOCC[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000111119214 637768131 /nfs/dbraw/zinc/76/81/31/637768131.db2.gz FHDPIRUEXJQWBS-UHFFFAOYSA-N 1 1 286.759 3.107 20 5 CGBDMO Cc1cc(C)nc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000930442221 638999440 /nfs/dbraw/zinc/99/94/40/638999440.db2.gz WHKLDWPSHHZMQE-UHFFFAOYSA-N 1 1 299.374 3.281 20 5 CGBDMO CC[C@@H](C)[N@@H+](Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000077441929 640239373 /nfs/dbraw/zinc/23/93/73/640239373.db2.gz UZKYJDOBTGZCHV-CYBMUJFWSA-N 1 1 288.351 3.050 20 5 CGBDMO CC[C@@H](C)[N@H+](Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000077441929 640239382 /nfs/dbraw/zinc/23/93/82/640239382.db2.gz UZKYJDOBTGZCHV-CYBMUJFWSA-N 1 1 288.351 3.050 20 5 CGBDMO CC[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000246256887 640665976 /nfs/dbraw/zinc/66/59/76/640665976.db2.gz KFKIUMCUZCDPJZ-XJKSGUPXSA-N 1 1 292.379 3.140 20 5 CGBDMO CCCO[C@@H]1CC[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254562590 806451093 /nfs/dbraw/zinc/45/10/93/806451093.db2.gz NTUMDYGERPNQNH-UKRRQHHQSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@]1(F)CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599678 806458366 /nfs/dbraw/zinc/45/83/66/806458366.db2.gz OJYKRMHSYVNHEH-HOTGVXAUSA-N 1 1 292.354 3.276 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCCCC13CC3)C2 ZINC001254602588 806458499 /nfs/dbraw/zinc/45/84/99/806458499.db2.gz GUEQMNGDORXROG-HNNXBMFYSA-N 1 1 272.348 3.081 20 5 CGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC001163424420 806762435 /nfs/dbraw/zinc/76/24/35/806762435.db2.gz ZPYZSCULEVCGQN-CYBMUJFWSA-N 1 1 279.384 3.436 20 5 CGBDMO CC(C)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCS1 ZINC000687932328 799741811 /nfs/dbraw/zinc/74/18/11/799741811.db2.gz HAUGXCMOGNPDIZ-CQSZACIVSA-N 1 1 298.383 3.307 20 5 CGBDMO CC(C)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCS1 ZINC000687932328 799741815 /nfs/dbraw/zinc/74/18/15/799741815.db2.gz HAUGXCMOGNPDIZ-CQSZACIVSA-N 1 1 298.383 3.307 20 5 CGBDMO Nc1cccc2[nH+]cn(-c3ccc([N+](=O)[O-])cc3Cl)c21 ZINC001248603568 804960593 /nfs/dbraw/zinc/96/05/93/804960593.db2.gz IGWGZBDSELUSTC-UHFFFAOYSA-N 1 1 288.694 3.169 20 5 CGBDMO C[C@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169011947 807553321 /nfs/dbraw/zinc/55/33/21/807553321.db2.gz NWCILOGBMVJJHI-GUTXKFCHSA-N 1 1 274.364 3.051 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC001169042806 807556925 /nfs/dbraw/zinc/55/69/25/807556925.db2.gz FWTMBBXHSVRGKP-VBNZEHGJSA-N 1 1 292.354 3.408 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](c3ccccc3F)C2)C1 ZINC001169038423 807557335 /nfs/dbraw/zinc/55/73/35/807557335.db2.gz YSQHVDGSRCIQGE-MGPQQGTHSA-N 1 1 292.354 3.060 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2Cc3ccc(Cl)cc3C2)C1 ZINC001169039867 807557616 /nfs/dbraw/zinc/55/76/16/807557616.db2.gz VDBCCZGXGPWCEN-IINYFYTJSA-N 1 1 280.755 3.101 20 5 CGBDMO C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)Cc1ccccc1 ZINC001169049147 807558378 /nfs/dbraw/zinc/55/83/78/807558378.db2.gz WAGCHPZGIIBSKD-HOTGVXAUSA-N 1 1 290.407 3.385 20 5 CGBDMO CC[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001169494459 807651625 /nfs/dbraw/zinc/65/16/25/807651625.db2.gz KMJUYJFWNJUGKV-KGLIPLIRSA-N 1 1 292.379 3.484 20 5 CGBDMO CCC[N@@H+](CC)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170330329 807825815 /nfs/dbraw/zinc/82/58/15/807825815.db2.gz ZDWOWVAXPGXXGP-LBPRGKRZSA-N 1 1 280.368 3.266 20 5 CGBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCC[C@H]2C)c1F ZINC001173187133 808533667 /nfs/dbraw/zinc/53/36/67/808533667.db2.gz XTRGFSDMCIKJHG-GHMZBOCLSA-N 1 1 296.342 3.158 20 5 CGBDMO CCCC[N@@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226577 808541815 /nfs/dbraw/zinc/54/18/15/808541815.db2.gz MPQASBANVALEKO-LBPRGKRZSA-N 1 1 250.342 3.258 20 5 CGBDMO C[C@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC001179579909 809931485 /nfs/dbraw/zinc/93/14/85/809931485.db2.gz XJZQCXCCTXGMNZ-NSHDSACASA-N 1 1 296.330 3.322 20 5 CGBDMO Cc1cc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC001186872724 810368218 /nfs/dbraw/zinc/36/82/18/810368218.db2.gz PMHLBQYIGYWIPO-GOEBONIOSA-N 1 1 289.379 3.332 20 5 CGBDMO Cn1cc[nH+]c1Nc1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001215581747 815541937 /nfs/dbraw/zinc/54/19/37/815541937.db2.gz PZDAULITKGAALO-UHFFFAOYSA-N 1 1 287.106 3.379 20 5 CGBDMO C[C@H](OC[C@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC001224707222 816860277 /nfs/dbraw/zinc/86/02/77/816860277.db2.gz PBRXVLKEYDGAOL-QWHCGFSZSA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1c(O[C@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001225689064 817141778 /nfs/dbraw/zinc/14/17/78/817141778.db2.gz AMJDEXJGHHNGKQ-ZDUSSCGKSA-N 1 1 278.352 3.155 20 5 CGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc([N+](=O)[O-])c1Cl)C2 ZINC001225786437 817178301 /nfs/dbraw/zinc/17/83/01/817178301.db2.gz SXZVOZDRBRDMSE-JGPRNRPPSA-N 1 1 296.754 3.252 20 5 CGBDMO Cc1cc(C)c(OC2CC[NH+](CCF)CC2)c([N+](=O)[O-])c1 ZINC001228230891 817844900 /nfs/dbraw/zinc/84/49/00/817844900.db2.gz WTHUQXNLMJUKAJ-UHFFFAOYSA-N 1 1 296.342 3.024 20 5 CGBDMO C[N@H+]1CC[C@H](Oc2ccc(-c3ccccc3[N+](=O)[O-])cc2)C1 ZINC001231252692 818064087 /nfs/dbraw/zinc/06/40/87/818064087.db2.gz NZKUABMNQYSISR-HNNXBMFYSA-N 1 1 298.342 3.345 20 5 CGBDMO CCC[C@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC001460902894 928748289 /nfs/dbraw/zinc/74/82/89/928748289.db2.gz TWTKSPFCUUSACU-NSHDSACASA-N 1 1 266.316 3.498 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1O[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001228922227 932051633 /nfs/dbraw/zinc/05/16/33/932051633.db2.gz XCRUPRVKZKZLQZ-VIKVFOODSA-N 1 1 290.363 3.012 20 5 CGBDMO CC[C@H](C)[C@@H](C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])OC ZINC001462221905 937626276 /nfs/dbraw/zinc/62/62/76/937626276.db2.gz WMNLXIUKIIQDNG-XJKSGUPXSA-N 1 1 294.395 3.130 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1=CCCC1)CC2 ZINC001332118481 932733829 /nfs/dbraw/zinc/73/38/29/932733829.db2.gz GUUXQAXWJCZZHN-UHFFFAOYSA-N 1 1 258.321 3.063 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC001306978558 932903993 /nfs/dbraw/zinc/90/39/93/932903993.db2.gz JTTMLGPYDJPUQC-CQSZACIVSA-N 1 1 291.395 3.214 20 5 CGBDMO CC(C)C[N@@H+](C)CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001307157642 932922285 /nfs/dbraw/zinc/92/22/85/932922285.db2.gz RCTVJMGYQJPVJJ-UHFFFAOYSA-N 1 1 283.347 3.124 20 5 CGBDMO CC(C)[N@@H+](CCc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC001337587369 936272446 /nfs/dbraw/zinc/27/24/46/936272446.db2.gz YTCCXRUTMCDMMP-UHFFFAOYSA-N 1 1 299.374 3.443 20 5 CGBDMO CC(C)C[N@@H+](CC[N+](=O)[O-])Cc1ccc(F)c(Cl)c1 ZINC001560029970 938242054 /nfs/dbraw/zinc/24/20/54/938242054.db2.gz IWAFBFPFPBOKDO-UHFFFAOYSA-N 1 1 288.750 3.214 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CC(CC2CC2)C1 ZINC001560946577 938285745 /nfs/dbraw/zinc/28/57/45/938285745.db2.gz WBXCFKZZJHYPRA-UHFFFAOYSA-N 1 1 280.755 3.480 20 5 CGBDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000167417323 529527895 /nfs/dbraw/zinc/52/78/95/529527895.db2.gz WEGONPKNKWCIKQ-NSHDSACASA-N 1 1 286.372 3.307 20 5 CGBDMO CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593070830 347035843 /nfs/dbraw/zinc/03/58/43/347035843.db2.gz XFXWVDGPOVOVLS-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593116720 347041232 /nfs/dbraw/zinc/04/12/32/347041232.db2.gz OCQIPPUHGAIARJ-GWCFXTLKSA-N 1 1 282.290 3.387 20 5 CGBDMO COc1ccc2c(c1)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000038923581 344956849 /nfs/dbraw/zinc/95/68/49/344956849.db2.gz MLEMPXYSHVKTAD-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO COc1ccc2c(c1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000038923581 344956850 /nfs/dbraw/zinc/95/68/50/344956850.db2.gz MLEMPXYSHVKTAD-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO COc1cccc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000042976374 344991913 /nfs/dbraw/zinc/99/19/13/344991913.db2.gz QRTJSJFSVJYJCY-UHFFFAOYSA-N 1 1 286.331 3.235 20 5 CGBDMO CC[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000060208947 345212397 /nfs/dbraw/zinc/21/23/97/345212397.db2.gz CZACCHCZWXLYBC-LLVKDONJSA-N 1 1 297.786 3.392 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCc1ccncc1 ZINC000067446447 345321624 /nfs/dbraw/zinc/32/16/24/345321624.db2.gz JAMVHPXLVBJUSB-CYBMUJFWSA-N 1 1 285.347 3.225 20 5 CGBDMO Cc1[nH+]ccn1CCCCNc1ccc([N+](=O)[O-])cc1F ZINC000078336179 345601499 /nfs/dbraw/zinc/60/14/99/345601499.db2.gz VUDGGFXGOPRXNL-UHFFFAOYSA-N 1 1 292.314 3.131 20 5 CGBDMO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092471684 345842057 /nfs/dbraw/zinc/84/20/57/345842057.db2.gz ZUMCFLZJJRORCW-SECBINFHSA-N 1 1 286.278 3.038 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092471684 345842061 /nfs/dbraw/zinc/84/20/61/345842061.db2.gz ZUMCFLZJJRORCW-SECBINFHSA-N 1 1 286.278 3.038 20 5 CGBDMO CSCC[C@@H](C)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000126456415 346024668 /nfs/dbraw/zinc/02/46/68/346024668.db2.gz BCMODTRARMHQQD-SNVBAGLBSA-N 1 1 286.372 3.307 20 5 CGBDMO CSCC[C@@H](C)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000126456415 346024670 /nfs/dbraw/zinc/02/46/70/346024670.db2.gz BCMODTRARMHQQD-SNVBAGLBSA-N 1 1 286.372 3.307 20 5 CGBDMO Cc1nc(C)c(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000314560602 346482072 /nfs/dbraw/zinc/48/20/72/346482072.db2.gz PPWJNIYVAMOYMR-JTQLQIEISA-N 1 1 289.335 3.359 20 5 CGBDMO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1C1CC1 ZINC000589517704 346799626 /nfs/dbraw/zinc/79/96/26/346799626.db2.gz WRFGNJKKPLXGAZ-CQSZACIVSA-N 1 1 278.327 3.354 20 5 CGBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1C1CC1 ZINC000589517704 346799628 /nfs/dbraw/zinc/79/96/28/346799628.db2.gz WRFGNJKKPLXGAZ-CQSZACIVSA-N 1 1 278.327 3.354 20 5 CGBDMO Cc1c([C@H](C)[NH2+][C@@H](C)c2nccn2C)cccc1[N+](=O)[O-] ZINC000595109919 347285094 /nfs/dbraw/zinc/28/50/94/347285094.db2.gz WZNHRVLMAYBVQA-RYUDHWBXSA-N 1 1 288.351 3.049 20 5 CGBDMO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000595781016 347355096 /nfs/dbraw/zinc/35/50/96/347355096.db2.gz OZNAUVDRGSKPGQ-MNOVXSKESA-N 1 1 298.770 3.248 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000595781016 347355098 /nfs/dbraw/zinc/35/50/98/347355098.db2.gz OZNAUVDRGSKPGQ-MNOVXSKESA-N 1 1 298.770 3.248 20 5 CGBDMO CC1=C(C)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595467626 347307646 /nfs/dbraw/zinc/30/76/46/347307646.db2.gz SCJNXKFPYZVSCY-UHFFFAOYSA-N 1 1 264.300 3.276 20 5 CGBDMO CC1=C(C)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595467626 347307648 /nfs/dbraw/zinc/30/76/48/347307648.db2.gz SCJNXKFPYZVSCY-UHFFFAOYSA-N 1 1 264.300 3.276 20 5 CGBDMO CCC(O)(CC)C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000600214544 347794558 /nfs/dbraw/zinc/79/45/58/347794558.db2.gz AQRXGLSVRCBAJX-NTMALXAHSA-N 1 1 292.379 3.091 20 5 CGBDMO CC(C)([NH2+]Cc1ccns1)c1ccccc1[N+](=O)[O-] ZINC000602671277 348005724 /nfs/dbraw/zinc/00/57/24/348005724.db2.gz FJJRLQAJYWBURP-UHFFFAOYSA-N 1 1 277.349 3.076 20 5 CGBDMO CC(C)(C)[C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000609195420 348339869 /nfs/dbraw/zinc/33/98/69/348339869.db2.gz MNZXYEHHYINFGB-HNNXBMFYSA-N 1 1 292.379 3.484 20 5 CGBDMO C[C@@H]1C[C@H](C)[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610133373 348364021 /nfs/dbraw/zinc/36/40/21/348364021.db2.gz LHSBMBUISJBAFV-OLZOCXBDSA-N 1 1 278.352 3.094 20 5 CGBDMO CC[N@@H+](C[C@H]1CCOC1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611204928 348428455 /nfs/dbraw/zinc/42/84/55/348428455.db2.gz BMYNDOZDQJBIEF-CHWSQXEVSA-N 1 1 278.352 3.014 20 5 CGBDMO CC[N@@H+](C[C@@H]1CCOC1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000611204951 348428483 /nfs/dbraw/zinc/42/84/83/348428483.db2.gz CGQPJHHAELXBNT-STQMWFEESA-N 1 1 278.352 3.014 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2CCCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000611272397 348434119 /nfs/dbraw/zinc/43/41/19/348434119.db2.gz GVBHIDQSKZXZKM-ZDUSSCGKSA-N 1 1 292.379 3.329 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1sccc1[N+](=O)[O-] ZINC000611413106 348448695 /nfs/dbraw/zinc/44/86/95/348448695.db2.gz TUTZKAWMOOYKAC-PHIMTYICSA-N 1 1 283.397 3.331 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@@H](C)[C@H](F)C2)cccc1[N+](=O)[O-] ZINC000611502100 348456818 /nfs/dbraw/zinc/45/68/18/348456818.db2.gz NBTNCEXCMJLYAK-ZWNOBZJWSA-N 1 1 266.316 3.083 20 5 CGBDMO Cc1c(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)cccc1[N+](=O)[O-] ZINC000611502100 348456822 /nfs/dbraw/zinc/45/68/22/348456822.db2.gz NBTNCEXCMJLYAK-ZWNOBZJWSA-N 1 1 266.316 3.083 20 5 CGBDMO CC[N@@H+](C[C@H]1CCOC1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000611515328 348458222 /nfs/dbraw/zinc/45/82/22/348458222.db2.gz JGQQXQJDRAHFTG-UONOGXRCSA-N 1 1 292.379 3.323 20 5 CGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000619158298 349214943 /nfs/dbraw/zinc/21/49/43/349214943.db2.gz PGEVESRIVAAPSN-SNVBAGLBSA-N 1 1 283.397 3.189 20 5 CGBDMO CC[C@H](C)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000104688235 138350635 /nfs/dbraw/zinc/35/06/35/138350635.db2.gz ZJWWHEHGFQJYQX-LBPRGKRZSA-N 1 1 266.341 3.094 20 5 CGBDMO Cc1ccc([C@@H](C)NC[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423234322 236004476 /nfs/dbraw/zinc/00/44/76/236004476.db2.gz FOGQDHADDXTUCJ-CJNGLKHVSA-N 1 1 299.374 3.254 20 5 CGBDMO CC[N@H+](Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1C ZINC000183339905 189355219 /nfs/dbraw/zinc/35/52/19/189355219.db2.gz PLIKXADPNDXTSU-UHFFFAOYSA-N 1 1 285.347 3.320 20 5 CGBDMO CC[N@@H+](Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1C ZINC000183339905 189355220 /nfs/dbraw/zinc/35/52/20/189355220.db2.gz PLIKXADPNDXTSU-UHFFFAOYSA-N 1 1 285.347 3.320 20 5 CGBDMO CO[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000275882575 193155146 /nfs/dbraw/zinc/15/51/46/193155146.db2.gz QOSHPMCOWWTVIH-LALPHHSUSA-N 1 1 278.352 3.013 20 5 CGBDMO C[N@@H+](Cc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000042366496 369217422 /nfs/dbraw/zinc/21/74/22/369217422.db2.gz NEGAGZCHJAKPIX-UHFFFAOYSA-N 1 1 274.295 3.366 20 5 CGBDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000050443425 369439735 /nfs/dbraw/zinc/43/97/35/369439735.db2.gz BZCCLSCXJLZHAE-JTQLQIEISA-N 1 1 291.738 3.494 20 5 CGBDMO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC(C)C ZINC000051740757 369454509 /nfs/dbraw/zinc/45/45/09/369454509.db2.gz IABYHQVUQKSVFR-UHFFFAOYSA-N 1 1 266.341 3.081 20 5 CGBDMO CCc1cnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000219247187 376198928 /nfs/dbraw/zinc/19/89/28/376198928.db2.gz TWZGWFUXMJQRSG-SNVBAGLBSA-N 1 1 291.376 3.465 20 5 CGBDMO Cc1ccc(C[N@H+]2CCSC(C)(C)C2)cc1[N+](=O)[O-] ZINC000093504380 370137180 /nfs/dbraw/zinc/13/71/80/370137180.db2.gz HHEXAJURKXUAHQ-UHFFFAOYSA-N 1 1 280.393 3.231 20 5 CGBDMO Cc1ccc([C@@H](C)NC[C@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000130915387 371069221 /nfs/dbraw/zinc/06/92/21/371069221.db2.gz RBONBRARLVZGBG-QWHCGFSZSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1ccc([C@@H](C)NC[C@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000130915387 371069228 /nfs/dbraw/zinc/06/92/28/371069228.db2.gz RBONBRARLVZGBG-QWHCGFSZSA-N 1 1 291.395 3.037 20 5 CGBDMO CS[C@@H]1CCCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000134558507 371350522 /nfs/dbraw/zinc/35/05/22/371350522.db2.gz LDVJYYUUHZVGQA-LLVKDONJSA-N 1 1 286.422 3.374 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000428465375 372214675 /nfs/dbraw/zinc/21/46/75/372214675.db2.gz XCAPROAXORTLKK-OYROCLPXSA-N 1 1 272.348 3.482 20 5 CGBDMO CSC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000292875247 372235048 /nfs/dbraw/zinc/23/50/48/372235048.db2.gz WYSAPWIPDIXKHC-ZDUSSCGKSA-N 1 1 294.420 3.478 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295623393 372852555 /nfs/dbraw/zinc/85/25/55/372852555.db2.gz ZKCDLTBLEVMZRY-SWLSCSKDSA-N 1 1 292.379 3.139 20 5 CGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000441441584 373013674 /nfs/dbraw/zinc/01/36/74/373013674.db2.gz XGLHSGVZUCOXSM-CJNGLKHVSA-N 1 1 290.363 3.238 20 5 CGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000301074425 373650547 /nfs/dbraw/zinc/65/05/47/373650547.db2.gz GOBQVVSIOIFLMR-NWDGAFQWSA-N 1 1 295.358 3.266 20 5 CGBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000301121974 373670115 /nfs/dbraw/zinc/67/01/15/373670115.db2.gz NVYBSQJJWCHDTA-UHFFFAOYSA-N 1 1 277.368 3.271 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1 ZINC000301281801 373728789 /nfs/dbraw/zinc/72/87/89/373728789.db2.gz QFEFYUAYBYJZDS-CQSZACIVSA-N 1 1 277.368 3.271 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000182052449 374211605 /nfs/dbraw/zinc/21/16/05/374211605.db2.gz SDFZLAVULBQHSR-UHFFFAOYSA-N 1 1 254.717 3.233 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000182052449 374211608 /nfs/dbraw/zinc/21/16/08/374211608.db2.gz SDFZLAVULBQHSR-UHFFFAOYSA-N 1 1 254.717 3.233 20 5 CGBDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183359297 374405234 /nfs/dbraw/zinc/40/52/34/374405234.db2.gz FPUORZLUMPSOSH-GFCCVEGCSA-N 1 1 282.409 3.477 20 5 CGBDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183378725 374407450 /nfs/dbraw/zinc/40/74/50/374407450.db2.gz CREPCHSQIQMPRA-AWEZNQCLSA-N 1 1 280.393 3.231 20 5 CGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCCC1CCCC1)CC2 ZINC000332172341 374558221 /nfs/dbraw/zinc/55/82/21/374558221.db2.gz SLBYWQUNQBVAIW-UHFFFAOYSA-N 1 1 289.379 3.318 20 5 CGBDMO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000472268766 375015073 /nfs/dbraw/zinc/01/50/73/375015073.db2.gz QHZCUHZCHDMHNR-LBPRGKRZSA-N 1 1 278.352 3.094 20 5 CGBDMO Cc1ccc([C@@H](C)Nc2[nH+]cnc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000487661473 375265963 /nfs/dbraw/zinc/26/59/63/375265963.db2.gz DSKZJCBVYZQUBQ-SNVBAGLBSA-N 1 1 297.318 3.348 20 5 CGBDMO COc1ccc(F)cc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000189207257 375341749 /nfs/dbraw/zinc/34/17/49/375341749.db2.gz YRKPZSDSODQVOF-UHFFFAOYSA-N 1 1 290.294 3.032 20 5 CGBDMO CC(C)[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000193199967 375838483 /nfs/dbraw/zinc/83/84/83/375838483.db2.gz FNTZTXTWRXZAIA-MRXNPFEDSA-N 1 1 292.379 3.139 20 5 CGBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000217366962 376172412 /nfs/dbraw/zinc/17/24/12/376172412.db2.gz YZBSBRAYEWUAMW-JTQLQIEISA-N 1 1 285.775 3.390 20 5 CGBDMO C[C@@H]1C[C@@H](C)[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000537616553 376181797 /nfs/dbraw/zinc/18/17/97/376181797.db2.gz FNUJQOYLTVDTHM-MVTQWGDUSA-N 1 1 260.337 3.338 20 5 CGBDMO COc1ccc(C[N@H+]2CC[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000542321847 376535023 /nfs/dbraw/zinc/53/50/23/376535023.db2.gz NKMVURNBSWHMDU-CYBMUJFWSA-N 1 1 292.379 3.471 20 5 CGBDMO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338963117 376602936 /nfs/dbraw/zinc/60/29/36/376602936.db2.gz LTRMMIMXTHFSEY-AWEZNQCLSA-N 1 1 278.352 3.311 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C(C)C)C1 ZINC000542701216 376570624 /nfs/dbraw/zinc/57/06/24/376570624.db2.gz ZUTIKCKVSWNWNC-ZDUSSCGKSA-N 1 1 262.353 3.381 20 5 CGBDMO C[C@H](CNc1ccc(F)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000339003382 376623115 /nfs/dbraw/zinc/62/31/15/376623115.db2.gz PGKOANLQPDDROE-VXGBXAGGSA-N 1 1 295.358 3.409 20 5 CGBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1F)[N@H+]1CCCC[C@@H]1C ZINC000339004940 376623464 /nfs/dbraw/zinc/62/34/64/376623464.db2.gz VUPQXISTWPCUIU-NWDGAFQWSA-N 1 1 295.358 3.409 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000246081258 376962380 /nfs/dbraw/zinc/96/23/80/376962380.db2.gz FIMMOOZBBLKDDI-CABCVRRESA-N 1 1 292.404 3.455 20 5 CGBDMO C[C@@H](NCC[N@@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000247064891 377152259 /nfs/dbraw/zinc/15/22/59/377152259.db2.gz OADAVMUTGQBQLI-UONOGXRCSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@@H](NCC[N@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000247064891 377152268 /nfs/dbraw/zinc/15/22/68/377152268.db2.gz OADAVMUTGQBQLI-UONOGXRCSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[N@@H+]1CCC[C@H]1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000248536114 377337871 /nfs/dbraw/zinc/33/78/71/377337871.db2.gz ZWWVKQMWDQDUAN-HIFRSBDPSA-N 1 1 291.395 3.038 20 5 CGBDMO CC[N@H+]1CCC[C@H]1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000248536114 377337875 /nfs/dbraw/zinc/33/78/75/377337875.db2.gz ZWWVKQMWDQDUAN-HIFRSBDPSA-N 1 1 291.395 3.038 20 5 CGBDMO C[C@H]([N@@H+](C)CCOc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000177216585 249052804 /nfs/dbraw/zinc/05/28/04/249052804.db2.gz AKJIOWVVXIHMTO-LBPRGKRZSA-N 1 1 278.352 3.094 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000518152960 249276070 /nfs/dbraw/zinc/27/60/70/249276070.db2.gz SQTZCQWFPJCSCL-NSHDSACASA-N 1 1 284.306 3.380 20 5 CGBDMO CC1(C)[C@@H]2C[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000254981302 377720378 /nfs/dbraw/zinc/72/03/78/377720378.db2.gz SVLSNUMJBVOKGT-HMDMIVDLSA-N 1 1 272.348 3.196 20 5 CGBDMO C[C@@H]1CCC[C@H]([N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269697564 378255984 /nfs/dbraw/zinc/25/59/84/378255984.db2.gz XGIWYXAGFHUTHS-IVMMDQJWSA-N 1 1 292.379 3.139 20 5 CGBDMO COCC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000272618826 378677468 /nfs/dbraw/zinc/67/74/68/378677468.db2.gz VWHMMWRPDLJYJP-AWEZNQCLSA-N 1 1 290.319 3.055 20 5 CGBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)C1=CC[N@@H+](C)CC1 ZINC000273004310 378733821 /nfs/dbraw/zinc/73/38/21/378733821.db2.gz ROOJRKRUUXQZKY-JTQLQIEISA-N 1 1 295.770 3.311 20 5 CGBDMO CC[N@@H+](C)C[C@@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000279466715 379440708 /nfs/dbraw/zinc/44/07/08/379440708.db2.gz MLMDOZOWWHONRX-NSHDSACASA-N 1 1 297.786 3.026 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000352545949 379853091 /nfs/dbraw/zinc/85/30/91/379853091.db2.gz NROQZSBHJZTZJI-KBPBESRZSA-N 1 1 290.363 3.368 20 5 CGBDMO Cc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000352570155 379863522 /nfs/dbraw/zinc/86/35/22/379863522.db2.gz CXLZIVGRVSAWDE-UHFFFAOYSA-N 1 1 299.374 3.281 20 5 CGBDMO Cc1csc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282486882 379930188 /nfs/dbraw/zinc/93/01/88/379930188.db2.gz PJVNIFYPOGMXFT-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO Cc1csc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282486882 379930192 /nfs/dbraw/zinc/93/01/92/379930192.db2.gz PJVNIFYPOGMXFT-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO Cc1cnc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000282530093 379938041 /nfs/dbraw/zinc/93/80/41/379938041.db2.gz VADALQKMHPFRMZ-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO Cc1cnc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000282530093 379938050 /nfs/dbraw/zinc/93/80/50/379938050.db2.gz VADALQKMHPFRMZ-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO CC(C)c1ccc(C[N@@H+](C)CC2(O)CCC2)cc1[N+](=O)[O-] ZINC000355363878 380661509 /nfs/dbraw/zinc/66/15/09/380661509.db2.gz CUKROVDJKSWBIE-UHFFFAOYSA-N 1 1 292.379 3.065 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCSC[C@H]2C2CCC2)c1 ZINC000418132024 380708797 /nfs/dbraw/zinc/70/87/97/380708797.db2.gz XSCOVMUJKPDGSP-HNNXBMFYSA-N 1 1 292.404 3.312 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279201627 194330198 /nfs/dbraw/zinc/33/01/98/194330198.db2.gz AWSQLGGHDOOEPJ-BFQNTYOBSA-N 1 1 290.363 3.155 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279201627 194330200 /nfs/dbraw/zinc/33/02/00/194330200.db2.gz AWSQLGGHDOOEPJ-BFQNTYOBSA-N 1 1 290.363 3.155 20 5 CGBDMO COc1cc(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000419372689 380819542 /nfs/dbraw/zinc/81/95/42/380819542.db2.gz MUHLATNPKLUTDN-TUAOUCFPSA-N 1 1 278.352 3.080 20 5 CGBDMO C[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000357717764 381263672 /nfs/dbraw/zinc/26/36/72/381263672.db2.gz SIMBTZASXNKLFZ-OLZOCXBDSA-N 1 1 278.352 3.094 20 5 CGBDMO Cc1cc(NCC[N@@H+]2CC=C(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000360047739 381423908 /nfs/dbraw/zinc/42/39/08/381423908.db2.gz NHOKVBSYKZRQBV-UHFFFAOYSA-N 1 1 293.342 3.106 20 5 CGBDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000360469885 381554053 /nfs/dbraw/zinc/55/40/53/381554053.db2.gz YAZYQEZHSARGRT-RISCZKNCSA-N 1 1 278.352 3.224 20 5 CGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000360479023 381556590 /nfs/dbraw/zinc/55/65/90/381556590.db2.gz UQBULOKSTCADEO-DGCLKSJQSA-N 1 1 278.352 3.224 20 5 CGBDMO CC[C@]1(C)CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000362313288 381938902 /nfs/dbraw/zinc/93/89/02/381938902.db2.gz CETYPOSOORYKDG-OAHLLOKOSA-N 1 1 296.342 3.365 20 5 CGBDMO CC[C@@]1(C)CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000362313287 381939639 /nfs/dbraw/zinc/93/96/39/381939639.db2.gz CETYPOSOORYKDG-HNNXBMFYSA-N 1 1 296.342 3.365 20 5 CGBDMO CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000291050382 285095137 /nfs/dbraw/zinc/09/51/37/285095137.db2.gz IFNKSALENOYCHE-SNVBAGLBSA-N 1 1 286.759 3.105 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000343956348 285160271 /nfs/dbraw/zinc/16/02/71/285160271.db2.gz DAUHJJOZBKHGQR-CYBMUJFWSA-N 1 1 260.337 3.217 20 5 CGBDMO C[C@@H](CF)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000288499170 197095394 /nfs/dbraw/zinc/09/53/94/197095394.db2.gz RTJYVQMIFIZSAC-JTQLQIEISA-N 1 1 278.283 3.302 20 5 CGBDMO CC[C@H](CSC)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000091098120 392230151 /nfs/dbraw/zinc/23/01/51/392230151.db2.gz GUXFJJWEYHKHGV-GFCCVEGCSA-N 1 1 298.408 3.047 20 5 CGBDMO CC(C)[C@@H](C)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505636749 392683916 /nfs/dbraw/zinc/68/39/16/392683916.db2.gz MGCJWYBIMJTZEO-SNVBAGLBSA-N 1 1 254.305 3.210 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000248566142 393090223 /nfs/dbraw/zinc/09/02/23/393090223.db2.gz BTXRLUGKSBYIFS-HZPDHXFCSA-N 1 1 290.363 3.047 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000248566142 393090227 /nfs/dbraw/zinc/09/02/27/393090227.db2.gz BTXRLUGKSBYIFS-HZPDHXFCSA-N 1 1 290.363 3.047 20 5 CGBDMO CC[C@@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000470172318 393230021 /nfs/dbraw/zinc/23/00/21/393230021.db2.gz VCWLKWFNBWBBKG-RCBBPTIPSA-N 1 1 290.363 3.109 20 5 CGBDMO CC[C@@H]1C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000470172318 393230028 /nfs/dbraw/zinc/23/00/28/393230028.db2.gz VCWLKWFNBWBBKG-RCBBPTIPSA-N 1 1 290.363 3.109 20 5 CGBDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000429568802 393483591 /nfs/dbraw/zinc/48/35/91/393483591.db2.gz PNVLOTCDSGZINY-PWSUYJOCSA-N 1 1 266.316 3.354 20 5 CGBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC(C)C ZINC000430213646 393540834 /nfs/dbraw/zinc/54/08/34/393540834.db2.gz CINULXKTXAUYCI-UHFFFAOYSA-N 1 1 280.368 3.471 20 5 CGBDMO C[C@H]1CSCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000488405915 393500597 /nfs/dbraw/zinc/50/05/97/393500597.db2.gz JWDKPDDNPJFDLQ-RYWCDNDXSA-N 1 1 292.404 3.293 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC(C)(C)C1 ZINC000430243296 393548290 /nfs/dbraw/zinc/54/82/90/393548290.db2.gz ZICWYEXIQZVQRU-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO COc1cc(C[N@@H+]2CC(C)=C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000430285999 393560016 /nfs/dbraw/zinc/56/00/16/393560016.db2.gz WDDFTUZZZPVATE-NSHDSACASA-N 1 1 276.336 3.001 20 5 CGBDMO C[C@@H]1CC2(CCC2)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000432791212 393639459 /nfs/dbraw/zinc/63/94/59/393639459.db2.gz ZBUPDYSYMPMVMM-GFCCVEGCSA-N 1 1 260.337 3.359 20 5 CGBDMO CC(C)C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444597309 393790332 /nfs/dbraw/zinc/79/03/32/393790332.db2.gz ONNPTNCMRITTFK-UHFFFAOYSA-N 1 1 288.351 3.092 20 5 CGBDMO CO[C@H]1C[C@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000449636835 393931610 /nfs/dbraw/zinc/93/16/10/393931610.db2.gz XFRYUMDDKYCZJN-RYUDHWBXSA-N 1 1 296.392 3.046 20 5 CGBDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000449636835 393931614 /nfs/dbraw/zinc/93/16/14/393931614.db2.gz XFRYUMDDKYCZJN-RYUDHWBXSA-N 1 1 296.392 3.046 20 5 CGBDMO COc1cccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088616563 287087581 /nfs/dbraw/zinc/08/75/81/287087581.db2.gz JGYKTEAOLVNELJ-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO COc1cccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088616563 287087583 /nfs/dbraw/zinc/08/75/83/287087583.db2.gz JGYKTEAOLVNELJ-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO Cc1cccnc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000071338920 165070165 /nfs/dbraw/zinc/07/01/65/165070165.db2.gz ZALKRIRMAUOGFD-GFCCVEGCSA-N 1 1 271.320 3.149 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(F)cc2)cs1 ZINC000037562496 173272869 /nfs/dbraw/zinc/27/28/69/173272869.db2.gz CHQGXPWYPSGURI-UHFFFAOYSA-N 1 1 266.297 3.085 20 5 CGBDMO CC1(C)CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000127263471 287283979 /nfs/dbraw/zinc/28/39/79/287283979.db2.gz BUKWFFUDMQSNPB-VMPITWQZSA-N 1 1 260.337 3.482 20 5 CGBDMO C[C@H](NCC[NH+]1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000040767602 174398248 /nfs/dbraw/zinc/39/82/48/174398248.db2.gz YQMPNLMSQFWVBW-AWEZNQCLSA-N 1 1 291.395 3.121 20 5 CGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000185637977 270063674 /nfs/dbraw/zinc/06/36/74/270063674.db2.gz NJHLZAGBAKXBAD-ZWNOBZJWSA-N 1 1 266.316 3.354 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217363589 270085157 /nfs/dbraw/zinc/08/51/57/270085157.db2.gz CNYJXGKZGJCLMR-STQMWFEESA-N 1 1 295.770 3.287 20 5 CGBDMO CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000521267721 270101545 /nfs/dbraw/zinc/10/15/45/270101545.db2.gz XEWOKVZRUBWRPO-UHFFFAOYSA-N 1 1 293.367 3.044 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1([NH+](C)C)CCC1 ZINC000527102641 270125362 /nfs/dbraw/zinc/12/53/62/270125362.db2.gz AJQBPRGZURLPPZ-ZDUSSCGKSA-N 1 1 291.395 3.038 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000531439857 270206855 /nfs/dbraw/zinc/20/68/55/270206855.db2.gz AQFMQMZOQKCHTP-QGZVFWFLSA-N 1 1 297.358 3.369 20 5 CGBDMO COc1cccc2c1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000182692033 274151642 /nfs/dbraw/zinc/15/16/42/274151642.db2.gz XIAYBXRXIOYJKX-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO COc1cccc2c1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000182692033 274151643 /nfs/dbraw/zinc/15/16/43/274151643.db2.gz XIAYBXRXIOYJKX-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1Cn1c[nH+]c2c1CCCC2 ZINC000130470518 275033306 /nfs/dbraw/zinc/03/33/06/275033306.db2.gz VREHPYOUESFYTD-UHFFFAOYSA-N 1 1 291.738 3.372 20 5 CGBDMO C[C@H]([N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000532489072 288364765 /nfs/dbraw/zinc/36/47/65/288364765.db2.gz IZMPOUXWJUICEU-LBPRGKRZSA-N 1 1 280.368 3.340 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H]1CCC(F)(F)C1)C2 ZINC000568592472 322214862 /nfs/dbraw/zinc/21/48/62/322214862.db2.gz ZOVRAEHYLZGZDK-LLVKDONJSA-N 1 1 296.317 3.388 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC000580551810 335278914 /nfs/dbraw/zinc/27/89/14/335278914.db2.gz KGGJDZWNNIUFOA-JKSUJKDBSA-N 1 1 286.306 3.322 20 5 CGBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746675267 572890356 /nfs/dbraw/zinc/89/03/56/572890356.db2.gz RTKCLJLAWLMCKJ-NXEZZACHSA-N 1 1 268.744 3.479 20 5 CGBDMO Cc1occc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000358009214 534580352 /nfs/dbraw/zinc/58/03/52/534580352.db2.gz CXLJJZILJYLLBE-JTQLQIEISA-N 1 1 260.293 3.347 20 5 CGBDMO COc1cc(C[N@@H+](C(C)C)C2CC2)c([N+](=O)[O-])cc1F ZINC000184245505 522341129 /nfs/dbraw/zinc/34/11/29/522341129.db2.gz VSUQLPUIVSPQEA-UHFFFAOYSA-N 1 1 282.315 3.115 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083168540 523253407 /nfs/dbraw/zinc/25/34/07/523253407.db2.gz GJPKMFIKTVIWLC-LLVKDONJSA-N 1 1 289.335 3.358 20 5 CGBDMO CC[C@H](C)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083171442 523869936 /nfs/dbraw/zinc/86/99/36/523869936.db2.gz VWOXKYARKAKVFA-JTQLQIEISA-N 1 1 277.324 3.214 20 5 CGBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC(C)(C)C ZINC000726971410 571694907 /nfs/dbraw/zinc/69/49/07/571694907.db2.gz HQPYBGNYLCTZMD-UHFFFAOYSA-N 1 1 254.305 3.212 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCSC[C@@H]2C2CC2)c1 ZINC000933916522 618378390 /nfs/dbraw/zinc/37/83/90/618378390.db2.gz SBKLLCTXHMMVKN-OAHLLOKOSA-N 1 1 292.404 3.312 20 5 CGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cncs1 ZINC000934198688 618529224 /nfs/dbraw/zinc/52/92/24/618529224.db2.gz QSXHSKZZFNKCOV-QMMMGPOBSA-N 1 1 281.312 3.041 20 5 CGBDMO Cc1ccoc1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000311614001 618913306 /nfs/dbraw/zinc/91/33/06/618913306.db2.gz WCIQQKHLHOAARE-UHFFFAOYSA-N 1 1 280.711 3.439 20 5 CGBDMO Cc1ccncc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000162634931 619120432 /nfs/dbraw/zinc/12/04/32/619120432.db2.gz OAHMJUHIYUUBCH-UHFFFAOYSA-N 1 1 291.738 3.241 20 5 CGBDMO CO[C@@H]1CC[C@@H](C)[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000895944693 619913695 /nfs/dbraw/zinc/91/36/95/619913695.db2.gz GNOAYYJWJKUBGP-RLWBPUTGSA-N 1 1 290.363 3.107 20 5 CGBDMO COc1cc([C@@H](C)Nc2cc(C)cc[nH+]2)cc([N+](=O)[O-])c1 ZINC000903132711 621592390 /nfs/dbraw/zinc/59/23/90/621592390.db2.gz WNMKHBRMCHFXDV-LLVKDONJSA-N 1 1 287.319 3.480 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C/C=C/Cl ZINC000903443111 621754178 /nfs/dbraw/zinc/75/41/78/621754178.db2.gz BQSSOWPQWGMRHK-BSPAPZMXSA-N 1 1 270.716 3.007 20 5 CGBDMO C[C@H]([NH2+]C/C=C\Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000903445169 621756922 /nfs/dbraw/zinc/75/69/22/621756922.db2.gz SDONJYNLEUYBPH-LBLVLHIFSA-N 1 1 258.680 3.137 20 5 CGBDMO C[C@H]([NH2+]C/C=C/Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000903445166 621757212 /nfs/dbraw/zinc/75/72/12/621757212.db2.gz SDONJYNLEUYBPH-HFSLJOEWSA-N 1 1 258.680 3.137 20 5 CGBDMO COc1cc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000924800375 621955656 /nfs/dbraw/zinc/95/56/56/621955656.db2.gz XRRKDQCRXQKXAG-ZJUUUORDSA-N 1 1 291.307 3.003 20 5 CGBDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000173386628 623320952 /nfs/dbraw/zinc/32/09/52/623320952.db2.gz RSKQROZUWXMRCG-SMDDNHRTSA-N 1 1 294.399 3.266 20 5 CGBDMO CC(C)[N@@H+](CC1CC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000915207506 623915560 /nfs/dbraw/zinc/91/55/60/623915560.db2.gz AJXSRAUEEJVRAN-UHFFFAOYSA-N 1 1 288.351 3.022 20 5 CGBDMO Cc1cc(NCc2cc([N+](=O)[O-])ccc2Cl)nc(C)[nH+]1 ZINC000756974756 626744849 /nfs/dbraw/zinc/74/48/49/626744849.db2.gz LSCIPGJIGJIPHT-UHFFFAOYSA-N 1 1 292.726 3.267 20 5 CGBDMO CC[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000758749267 626858731 /nfs/dbraw/zinc/85/87/31/626858731.db2.gz VJMPPIWKQIIMJI-CQSZACIVSA-N 1 1 266.316 3.356 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000761507758 627046802 /nfs/dbraw/zinc/04/68/02/627046802.db2.gz VYLBCUQFWSJANJ-UHFFFAOYSA-N 1 1 256.733 3.479 20 5 CGBDMO CC[N@@H+](CCNCc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000761521380 627047244 /nfs/dbraw/zinc/04/72/44/627047244.db2.gz GKSVUEFRZPMWSY-UHFFFAOYSA-N 1 1 299.802 3.068 20 5 CGBDMO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000761521380 627047245 /nfs/dbraw/zinc/04/72/45/627047245.db2.gz GKSVUEFRZPMWSY-UHFFFAOYSA-N 1 1 299.802 3.068 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761512311 627047297 /nfs/dbraw/zinc/04/72/97/627047297.db2.gz QPGGJXYSWNNQPE-VIFPVBQESA-N 1 1 254.717 3.090 20 5 CGBDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000772346542 627786740 /nfs/dbraw/zinc/78/67/40/627786740.db2.gz OMDAYYZEHAFASP-GWCFXTLKSA-N 1 1 266.316 3.497 20 5 CGBDMO CC(C)C[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582543 628221104 /nfs/dbraw/zinc/22/11/04/628221104.db2.gz VESRHNFNICOZHC-HOTGVXAUSA-N 1 1 292.379 3.139 20 5 CGBDMO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000779127717 628389705 /nfs/dbraw/zinc/38/97/05/628389705.db2.gz JNIGDLWEWISBJE-MRVPVSSYSA-N 1 1 294.742 3.131 20 5 CGBDMO CCN(CC)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783620451 628732395 /nfs/dbraw/zinc/73/23/95/628732395.db2.gz KAXLGMKEDHVNLH-NSHDSACASA-N 1 1 299.802 3.068 20 5 CGBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000791052439 629253060 /nfs/dbraw/zinc/25/30/60/629253060.db2.gz NXEACSXLDKBTHL-INIZCTEOSA-N 1 1 270.332 3.253 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccnc2F)cc1Cl ZINC000793286548 629440106 /nfs/dbraw/zinc/44/01/06/629440106.db2.gz YTJDYHFCIQNHKY-UHFFFAOYSA-N 1 1 295.701 3.072 20 5 CGBDMO CC(C)=CC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872066218 633988378 /nfs/dbraw/zinc/98/83/78/633988378.db2.gz KQMLQLLEYTWKPK-SNVBAGLBSA-N 1 1 252.289 3.351 20 5 CGBDMO C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872092553 634017591 /nfs/dbraw/zinc/01/75/91/634017591.db2.gz OXHHYTJCGPRPLA-LKEWCRSYSA-N 1 1 292.232 3.335 20 5 CGBDMO C[C@@H]1C[C@@H](Nc2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000124189917 634182299 /nfs/dbraw/zinc/18/22/99/634182299.db2.gz HZGNUFYFZXRASH-KOLCDFICSA-N 1 1 283.759 3.143 20 5 CGBDMO COC[C@]1(C)CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877558767 635090679 /nfs/dbraw/zinc/09/06/79/635090679.db2.gz NAODDLRLLZISJX-MRXNPFEDSA-N 1 1 292.379 3.070 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c(F)c1 ZINC000877719364 635163880 /nfs/dbraw/zinc/16/38/80/635163880.db2.gz YVPDKLRJOLDBMR-TXEJJXNPSA-N 1 1 276.311 3.132 20 5 CGBDMO COCCCC[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841893340 635248364 /nfs/dbraw/zinc/24/83/64/635248364.db2.gz DJEUTWCGVVOPNC-UHFFFAOYSA-N 1 1 286.759 3.107 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CF)C1 ZINC000880235647 635947303 /nfs/dbraw/zinc/94/73/03/635947303.db2.gz RBNDAEGRQTZXOU-NEPJUHHUSA-N 1 1 266.316 3.337 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H](CF)C1 ZINC000880293665 635966213 /nfs/dbraw/zinc/96/62/13/635966213.db2.gz NTSDVULBXGQQCK-SECBINFHSA-N 1 1 272.707 3.040 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H](CF)C1 ZINC000880293665 635966216 /nfs/dbraw/zinc/96/62/16/635966216.db2.gz NTSDVULBXGQQCK-SECBINFHSA-N 1 1 272.707 3.040 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)cc1 ZINC000880315508 635972900 /nfs/dbraw/zinc/97/29/00/635972900.db2.gz NNMMTNAZSMBJMM-LBPRGKRZSA-N 1 1 289.360 3.041 20 5 CGBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000134969672 637058797 /nfs/dbraw/zinc/05/87/97/637058797.db2.gz CHENDRYZGQJKDP-NXEZZACHSA-N 1 1 268.744 3.479 20 5 CGBDMO CC(C)[N@H+](Cc1cccs1)Cc1cccnc1[N+](=O)[O-] ZINC000885965302 637335032 /nfs/dbraw/zinc/33/50/32/637335032.db2.gz LMRCRKIAAGQEDB-UHFFFAOYSA-N 1 1 291.376 3.462 20 5 CGBDMO CC(C)[N@@H+](Cc1cccs1)Cc1cccnc1[N+](=O)[O-] ZINC000885965302 637335036 /nfs/dbraw/zinc/33/50/36/637335036.db2.gz LMRCRKIAAGQEDB-UHFFFAOYSA-N 1 1 291.376 3.462 20 5 CGBDMO CC(C)C[C@@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885973664 637338997 /nfs/dbraw/zinc/33/89/97/637338997.db2.gz XSMFIXYTVDYYTB-ZDUSSCGKSA-N 1 1 263.341 3.000 20 5 CGBDMO CC1=C(c2ccco2)C[N@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886192109 637454117 /nfs/dbraw/zinc/45/41/17/637454117.db2.gz HMDFKDDQQSVESH-UHFFFAOYSA-N 1 1 299.330 3.262 20 5 CGBDMO CC1=C(c2ccco2)C[N@@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886192109 637454121 /nfs/dbraw/zinc/45/41/21/637454121.db2.gz HMDFKDDQQSVESH-UHFFFAOYSA-N 1 1 299.330 3.262 20 5 CGBDMO CC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1F ZINC000886270360 637474785 /nfs/dbraw/zinc/47/47/85/637474785.db2.gz AYCWCGWMLWOCJU-CQSZACIVSA-N 1 1 289.310 3.370 20 5 CGBDMO CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852592176 637684745 /nfs/dbraw/zinc/68/47/45/637684745.db2.gz IEZGVORQQXPUKN-XJKCOSOUSA-N 1 1 292.379 3.139 20 5 CGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Br)C1CCC1 ZINC000929719172 638944816 /nfs/dbraw/zinc/94/48/16/638944816.db2.gz CJXHXUJZNUCDCV-UHFFFAOYSA-N 1 1 299.168 3.342 20 5 CGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Br)C1CCC1 ZINC000929719172 638944817 /nfs/dbraw/zinc/94/48/17/638944817.db2.gz CJXHXUJZNUCDCV-UHFFFAOYSA-N 1 1 299.168 3.342 20 5 CGBDMO Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000932561326 639353322 /nfs/dbraw/zinc/35/33/22/639353322.db2.gz LVVVJUIABZYZBI-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000047540492 640018446 /nfs/dbraw/zinc/01/84/46/640018446.db2.gz QQTDMSWQBVPAFM-SNVBAGLBSA-N 1 1 252.289 3.108 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1C ZINC000094774744 640802313 /nfs/dbraw/zinc/80/23/13/640802313.db2.gz JPUOODSPAPTRSP-GHMZBOCLSA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774839 640802649 /nfs/dbraw/zinc/80/26/49/640802649.db2.gz XJGJWMCWNDGSFS-LLVKDONJSA-N 1 1 266.316 3.356 20 5 CGBDMO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773898 640802757 /nfs/dbraw/zinc/80/27/57/640802757.db2.gz QWHZVXNPOXNTCC-QMMMGPOBSA-N 1 1 293.298 3.190 20 5 CGBDMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774924 640802765 /nfs/dbraw/zinc/80/27/65/640802765.db2.gz PCGFKWCEHWPRNP-ZDUSSCGKSA-N 1 1 266.316 3.354 20 5 CGBDMO CC[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001254563082 806450996 /nfs/dbraw/zinc/45/09/96/806450996.db2.gz SXBKFYYHBPTCLX-ZDUSSCGKSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254593255 806457022 /nfs/dbraw/zinc/45/70/22/806457022.db2.gz KOQWQRWTNHREJP-WBMJQRKESA-N 1 1 274.364 3.184 20 5 CGBDMO CCCO[C@H]1CC[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254562589 806451975 /nfs/dbraw/zinc/45/19/75/806451975.db2.gz NTUMDYGERPNQNH-HIFRSBDPSA-N 1 1 292.379 3.027 20 5 CGBDMO C[N@@H+](C[C@@H]1CC1(C)C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604758 806460446 /nfs/dbraw/zinc/46/04/46/806460446.db2.gz XLQWSEXFBGSRSQ-ZFWWWQNUSA-N 1 1 274.364 3.040 20 5 CGBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000036785314 798851451 /nfs/dbraw/zinc/85/14/51/798851451.db2.gz LXQZUSHOTARUDT-VIFPVBQESA-N 1 1 268.744 3.479 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCC1 ZINC000706761328 799966160 /nfs/dbraw/zinc/96/61/60/799966160.db2.gz IRLNLDYUQQIZFC-UHFFFAOYSA-N 1 1 252.289 3.108 20 5 CGBDMO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccns1 ZINC000715931269 800153126 /nfs/dbraw/zinc/15/31/26/800153126.db2.gz JFEMKQFNCKUOHG-UWVGGRQHSA-N 1 1 277.349 3.463 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccn1C1CC1 ZINC001117744405 802485905 /nfs/dbraw/zinc/48/59/05/802485905.db2.gz HXPAUIKUWLZDDV-UHFFFAOYSA-N 1 1 299.374 3.406 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001119375993 802656721 /nfs/dbraw/zinc/65/67/21/802656721.db2.gz VSXJFMIYEBHROY-STQMWFEESA-N 1 1 275.352 3.002 20 5 CGBDMO CC(C)[N@@H+](CC[N+](=O)[O-])Cc1cccc(C(F)(F)F)c1 ZINC001167259393 807172128 /nfs/dbraw/zinc/17/21/28/807172128.db2.gz SKZCJSKJXFTHMH-UHFFFAOYSA-N 1 1 290.285 3.193 20 5 CGBDMO CC(C)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006629 807549856 /nfs/dbraw/zinc/54/98/56/807549856.db2.gz IRORUWUFPFJPRY-HOTGVXAUSA-N 1 1 276.380 3.342 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCC3(CCCC3)C2)C1 ZINC001169011096 807552129 /nfs/dbraw/zinc/55/21/29/807552129.db2.gz IKEGUWPUUQDOHC-KGLIPLIRSA-N 1 1 266.385 3.088 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC001169011980 807552919 /nfs/dbraw/zinc/55/29/19/807552919.db2.gz OGFWINLEZPWAGT-KCXAZCMYSA-N 1 1 292.354 3.408 20 5 CGBDMO C[N@@H+](Cc1ccccc1Cl)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169027819 807554004 /nfs/dbraw/zinc/55/40/04/807554004.db2.gz QUBCKPAYELYQGG-AAEUAGOBSA-N 1 1 282.771 3.217 20 5 CGBDMO CCC[C@@H]1CCCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169030094 807555246 /nfs/dbraw/zinc/55/52/46/807555246.db2.gz WCMAZWKAMHPZOW-MCIONIFRSA-N 1 1 254.374 3.086 20 5 CGBDMO C[N@@H+](CCc1cccc(Cl)c1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036446 807555987 /nfs/dbraw/zinc/55/59/87/807555987.db2.gz OLKJUNZEJPYAMN-ZFWWWQNUSA-N 1 1 296.798 3.260 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2Cc3cccc(Cl)c3C2)C1 ZINC001169038759 807557708 /nfs/dbraw/zinc/55/77/08/807557708.db2.gz KIEUTRUKSITTSB-PWSUYJOCSA-N 1 1 280.755 3.101 20 5 CGBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170328290 807826903 /nfs/dbraw/zinc/82/69/03/807826903.db2.gz IXQRBLOZILYMTN-CHWSQXEVSA-N 1 1 292.379 3.266 20 5 CGBDMO C[C@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906876 808475919 /nfs/dbraw/zinc/47/59/19/808475919.db2.gz ZDJQUYYCRAJDQF-SWLSCSKDSA-N 1 1 274.364 3.184 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC2(CC2)C1 ZINC001173220824 808539718 /nfs/dbraw/zinc/53/97/18/808539718.db2.gz CRPHWHZRHAZPHW-GFCCVEGCSA-N 1 1 260.337 3.012 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@](C)(F)C1 ZINC001173220644 808539964 /nfs/dbraw/zinc/53/99/64/808539964.db2.gz BOTKHCGLXSNOIM-IUODEOHRSA-N 1 1 280.343 3.350 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCC1(F)F ZINC001173219836 808540229 /nfs/dbraw/zinc/54/02/29/808540229.db2.gz POYMDMOUFPFHCF-MFKMUULPSA-N 1 1 284.306 3.303 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001173221754 808540457 /nfs/dbraw/zinc/54/04/57/808540457.db2.gz LQDUWDHQQKZFRQ-UGFHNGPFSA-N 1 1 298.333 3.298 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001173221754 808540459 /nfs/dbraw/zinc/54/04/59/808540459.db2.gz LQDUWDHQQKZFRQ-UGFHNGPFSA-N 1 1 298.333 3.298 20 5 CGBDMO CCCC[N@@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226575 808541275 /nfs/dbraw/zinc/54/12/75/808541275.db2.gz MPQASBANVALEKO-GFCCVEGCSA-N 1 1 250.342 3.258 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C)C1 ZINC001173229957 808543621 /nfs/dbraw/zinc/54/36/21/808543621.db2.gz WMJDMQWXWMTKNY-STQMWFEESA-N 1 1 262.353 3.258 20 5 CGBDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC001191788945 810740688 /nfs/dbraw/zinc/74/06/88/810740688.db2.gz BVFFOCBFGHWEKU-JSGCOSHPSA-N 1 1 294.399 3.000 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](C3CCC3)C2)c(F)c1 ZINC001195148056 811216124 /nfs/dbraw/zinc/21/61/24/811216124.db2.gz RKLREJOYIUEOFZ-LLVKDONJSA-N 1 1 296.317 3.495 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](C3CCC3)C2)c(F)c1 ZINC001195148056 811216128 /nfs/dbraw/zinc/21/61/28/811216128.db2.gz RKLREJOYIUEOFZ-LLVKDONJSA-N 1 1 296.317 3.495 20 5 CGBDMO O=[N+]([O-])c1ccc(F)c(Nc2ccc3[nH+]ccn3c2)c1F ZINC001215287240 815503610 /nfs/dbraw/zinc/50/36/10/815503610.db2.gz KNAGYLZHDGKELT-UHFFFAOYSA-N 1 1 290.229 3.264 20 5 CGBDMO Cc1[nH+]c2ccccn2c1Nc1cccc([N+](=O)[O-])c1 ZINC001204415465 812631789 /nfs/dbraw/zinc/63/17/89/812631789.db2.gz KCPJEBQIVVIDFM-UHFFFAOYSA-N 1 1 268.276 3.295 20 5 CGBDMO C[N@@H+]1CCc2ccc(Nc3ccc(O)c([N+](=O)[O-])c3)cc2C1 ZINC001210399899 814446622 /nfs/dbraw/zinc/44/66/22/814446622.db2.gz YZAJUNPJIQPDEL-UHFFFAOYSA-N 1 1 299.330 3.032 20 5 CGBDMO C[N@H+]1CCc2ccc(Nc3ccc(O)c([N+](=O)[O-])c3)cc2C1 ZINC001210399899 814446628 /nfs/dbraw/zinc/44/66/28/814446628.db2.gz YZAJUNPJIQPDEL-UHFFFAOYSA-N 1 1 299.330 3.032 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1Nc1ccc2[nH+]ccn2c1 ZINC001210951501 814688436 /nfs/dbraw/zinc/68/84/36/814688436.db2.gz IDXMBOUNQNUMOD-UHFFFAOYSA-N 1 1 272.239 3.125 20 5 CGBDMO CC(C)[N@H+]1CC[C@H](O[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001223428070 816628504 /nfs/dbraw/zinc/62/85/04/816628504.db2.gz BTRAWLXUFXXMHE-WFASDCNBSA-N 1 1 278.352 3.155 20 5 CGBDMO C[C@@H](O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC001224020674 816721896 /nfs/dbraw/zinc/72/18/96/816721896.db2.gz ZNUHTOIEKQJYHW-BQDHKBFISA-N 1 1 290.363 3.298 20 5 CGBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC001344335471 936530014 /nfs/dbraw/zinc/53/00/14/936530014.db2.gz NNHAKPZAXFIDPW-UHFFFAOYSA-N 1 1 293.367 3.044 20 5 CGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](CF)C2)cc1 ZINC001460691801 937540512 /nfs/dbraw/zinc/54/05/12/937540512.db2.gz BERGTDSGEPBVRE-ZDUSSCGKSA-N 1 1 296.342 3.045 20 5 CGBDMO Cc1c(C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC001307850883 933010429 /nfs/dbraw/zinc/01/04/29/933010429.db2.gz AXLHSTRHTFMGRA-LOWVWBTDSA-N 1 1 262.353 3.380 20 5 CGBDMO C[C@H](N[C@H]1CCCC[C@@H]1[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC001319383919 933865830 /nfs/dbraw/zinc/86/58/30/933865830.db2.gz PAYXOIPCKOCGJR-RCBQFDQVSA-N 1 1 291.395 3.118 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C(C)(C)C ZINC001330600412 935301921 /nfs/dbraw/zinc/30/19/21/935301921.db2.gz CKQOBOSPTHTRCS-UHFFFAOYSA-N 1 1 266.341 3.224 20 5 CGBDMO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001474412755 937858175 /nfs/dbraw/zinc/85/81/75/937858175.db2.gz FTAULALWOGVHLD-GXTWGEPZSA-N 1 1 292.379 3.211 20 5 CGBDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001474412755 937858177 /nfs/dbraw/zinc/85/81/77/937858177.db2.gz FTAULALWOGVHLD-GXTWGEPZSA-N 1 1 292.379 3.211 20 5 CGBDMO O=[N+]([O-])CC[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC001559656517 938232034 /nfs/dbraw/zinc/23/20/34/938232034.db2.gz QUUJKDGDNBRIJF-GOSISDBHSA-N 1 1 296.370 3.105 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(C3CC3)CC2)cs1 ZINC000590008680 346821877 /nfs/dbraw/zinc/82/18/77/346821877.db2.gz RMZIUDFHIMVUKP-UHFFFAOYSA-N 1 1 266.366 3.278 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000125402749 187183245 /nfs/dbraw/zinc/18/32/45/187183245.db2.gz DALFQQVGPSHLOI-MRXNPFEDSA-N 1 1 283.331 3.327 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000125402749 187183246 /nfs/dbraw/zinc/18/32/46/187183246.db2.gz DALFQQVGPSHLOI-MRXNPFEDSA-N 1 1 283.331 3.327 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000125535454 187190031 /nfs/dbraw/zinc/19/00/31/187190031.db2.gz XFNYPBCYCDBAJL-KRWDZBQOSA-N 1 1 297.358 3.369 20 5 CGBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC000592179419 346969396 /nfs/dbraw/zinc/96/93/96/346969396.db2.gz PVDHYFGKQRPMFO-UHFFFAOYSA-N 1 1 256.733 3.479 20 5 CGBDMO Cc1c(C[N@@H+]2CCC[C@@H](OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000593054391 347033919 /nfs/dbraw/zinc/03/39/19/347033919.db2.gz CICFLGSXMSXKDS-OAHLLOKOSA-N 1 1 292.379 3.293 20 5 CGBDMO C[N@@H+](Cc1cccs1)Cc1cccc([N+](=O)[O-])c1 ZINC000042977560 344991490 /nfs/dbraw/zinc/99/14/90/344991490.db2.gz KWLHKPHSGNPQMH-UHFFFAOYSA-N 1 1 262.334 3.288 20 5 CGBDMO Cc1ccc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])o1 ZINC000051455255 345090713 /nfs/dbraw/zinc/09/07/13/345090713.db2.gz ODTCCFBUWUZIKN-UHFFFAOYSA-N 1 1 290.319 3.007 20 5 CGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000075023031 345491115 /nfs/dbraw/zinc/49/11/15/345491115.db2.gz OSOMXKVNQGWCBL-MNOVXSKESA-N 1 1 266.316 3.354 20 5 CGBDMO Cc1nc(C)c(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000589259042 346791444 /nfs/dbraw/zinc/79/14/44/346791444.db2.gz NTZMXQBNNVLRMN-UHFFFAOYSA-N 1 1 289.335 3.225 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589496259 346798307 /nfs/dbraw/zinc/79/83/07/346798307.db2.gz BTTBUEVIOYMHDT-LLVKDONJSA-N 1 1 294.351 3.002 20 5 CGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1sccc1[N+](=O)[O-] ZINC000589598927 346801927 /nfs/dbraw/zinc/80/19/27/346801927.db2.gz HSTNICIHHXNFGG-SNVBAGLBSA-N 1 1 271.386 3.189 20 5 CGBDMO C[C@H](C1CC1)[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595289057 347286586 /nfs/dbraw/zinc/28/65/86/347286586.db2.gz CXYKQPIRVPDFNN-SNVBAGLBSA-N 1 1 278.327 3.497 20 5 CGBDMO Cc1noc(C[N@H+]2CCC[C@@H]2CC(C)(C)C)c1[N+](=O)[O-] ZINC000595297115 347288173 /nfs/dbraw/zinc/28/81/73/347288173.db2.gz POJQAOFGMCZZLL-LLVKDONJSA-N 1 1 281.356 3.292 20 5 CGBDMO CCC(CC)[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595308204 347289915 /nfs/dbraw/zinc/28/99/15/347289915.db2.gz FUVNQQNRUJSOTH-UHFFFAOYSA-N 1 1 267.329 3.044 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000595327979 347291889 /nfs/dbraw/zinc/29/18/89/347291889.db2.gz SWATYHCNEJFCJZ-RISCZKNCSA-N 1 1 278.327 3.498 20 5 CGBDMO CCC[C@]1(C)CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595331987 347293200 /nfs/dbraw/zinc/29/32/00/347293200.db2.gz AQBXJSBBBQPCGX-CQSZACIVSA-N 1 1 281.356 3.293 20 5 CGBDMO Cc1noc(C[N@H+](C(C)C)C2CCCC2)c1[N+](=O)[O-] ZINC000595364407 347296445 /nfs/dbraw/zinc/29/64/45/347296445.db2.gz PDFKPHKHUTWRCB-UHFFFAOYSA-N 1 1 267.329 3.044 20 5 CGBDMO CC[C@@H](C)[N@@H+](CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595593047 347322898 /nfs/dbraw/zinc/32/28/98/347322898.db2.gz MPOBSFGDOBWFJG-LLVKDONJSA-N 1 1 266.341 3.224 20 5 CGBDMO CCC[C@@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595433797 347302935 /nfs/dbraw/zinc/30/29/35/347302935.db2.gz UFPDJLQBMMEGAZ-LLVKDONJSA-N 1 1 267.329 3.046 20 5 CGBDMO CCC[C@@H](NCC[C@@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000596653514 347498507 /nfs/dbraw/zinc/49/85/07/347498507.db2.gz LIWKMKDILRUOCZ-HZPDHXFCSA-N 1 1 293.411 3.399 20 5 CGBDMO C[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598954739 347700767 /nfs/dbraw/zinc/70/07/67/347700767.db2.gz GHHBSMFBMCMNDS-GXTWGEPZSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598954739 347700769 /nfs/dbraw/zinc/70/07/69/347700769.db2.gz GHHBSMFBMCMNDS-GXTWGEPZSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000599675514 347764271 /nfs/dbraw/zinc/76/42/71/347764271.db2.gz QDVABEFOWRRYBY-WFASDCNBSA-N 1 1 278.327 3.498 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1[N+](=O)[O-] ZINC000600191903 347791903 /nfs/dbraw/zinc/79/19/03/347791903.db2.gz XTRFZSCOECKRHP-KGLIPLIRSA-N 1 1 292.404 3.373 20 5 CGBDMO CCCCC[C@H]1CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602783787 348028057 /nfs/dbraw/zinc/02/80/57/348028057.db2.gz MIYWIURYPYLQNP-AWEZNQCLSA-N 1 1 294.399 3.144 20 5 CGBDMO CC(C)[C@@H](C)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604012219 348106545 /nfs/dbraw/zinc/10/65/45/348106545.db2.gz NQNCJXXNFRXBAE-CYBMUJFWSA-N 1 1 280.368 3.340 20 5 CGBDMO C[C@H]([N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000603553599 348089443 /nfs/dbraw/zinc/08/94/43/348089443.db2.gz IGIOEUHDNGDZQH-NSHDSACASA-N 1 1 250.342 3.461 20 5 CGBDMO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000609705529 348351434 /nfs/dbraw/zinc/35/14/34/348351434.db2.gz RMFCYLHXKPSCAO-LLVKDONJSA-N 1 1 298.770 3.107 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180326 348427158 /nfs/dbraw/zinc/42/71/58/348427158.db2.gz CABREWRHRVRKFL-JTQLQIEISA-N 1 1 282.290 3.387 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000351983659 219274651 /nfs/dbraw/zinc/27/46/51/219274651.db2.gz IOMRZCALENUGBN-CYBMUJFWSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000359639229 233350306 /nfs/dbraw/zinc/35/03/06/233350306.db2.gz UQWREEPFRQNOBK-JTQLQIEISA-N 1 1 291.738 3.494 20 5 CGBDMO CCc1nc(C)c(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000291652497 198051629 /nfs/dbraw/zinc/05/16/29/198051629.db2.gz ARIOUTFQKNKRRI-UHFFFAOYSA-N 1 1 289.335 3.052 20 5 CGBDMO CCCc1nc(C)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC000291713823 198068069 /nfs/dbraw/zinc/06/80/69/198068069.db2.gz LTEQPNAWCFQIGP-UHFFFAOYSA-N 1 1 289.335 3.134 20 5 CGBDMO C[C@H]1C[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000122830919 187054499 /nfs/dbraw/zinc/05/44/99/187054499.db2.gz RAJLZVCDTBNNJV-GXSJLCMTSA-N 1 1 295.770 3.285 20 5 CGBDMO CCC[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000122990771 187064357 /nfs/dbraw/zinc/06/43/57/187064357.db2.gz LRZLXGOBNUYGFQ-UHFFFAOYSA-N 1 1 287.157 3.199 20 5 CGBDMO CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000153112066 188065394 /nfs/dbraw/zinc/06/53/94/188065394.db2.gz XBWCATFFTZNBLN-UHFFFAOYSA-N 1 1 289.335 3.480 20 5 CGBDMO Cc1cc(NCCCC[N@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000413350296 235271719 /nfs/dbraw/zinc/27/17/19/235271719.db2.gz WAKSYQCOXDYACT-UHFFFAOYSA-N 1 1 295.358 3.329 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CC1CCC1)C1CC1 ZINC000441251206 238386999 /nfs/dbraw/zinc/38/69/99/238386999.db2.gz SELWLZAOIBWGQA-UHFFFAOYSA-N 1 1 260.337 3.359 20 5 CGBDMO CC[C@H](NCC[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000181565066 189301153 /nfs/dbraw/zinc/30/11/53/189301153.db2.gz HCCXSHKOSHCTNO-HOCLYGCPSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[C@H](NCC[C@@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000181565066 189301154 /nfs/dbraw/zinc/30/11/54/189301154.db2.gz HCCXSHKOSHCTNO-HOCLYGCPSA-N 1 1 291.395 3.120 20 5 CGBDMO Cc1[nH+]ccn1CCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000301480027 201022833 /nfs/dbraw/zinc/02/28/33/201022833.db2.gz RKMAMTIASVRVLO-UHFFFAOYSA-N 1 1 288.351 3.300 20 5 CGBDMO O=[N+]([O-])c1ccsc1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000301984747 201287266 /nfs/dbraw/zinc/28/72/66/201287266.db2.gz CEGHJJIJCQHJST-LBPRGKRZSA-N 1 1 295.408 3.333 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1CCNc1sccc1[N+](=O)[O-] ZINC000302031655 201309226 /nfs/dbraw/zinc/30/92/26/201309226.db2.gz SHOWZJOTNNTQFM-LLVKDONJSA-N 1 1 283.397 3.333 20 5 CGBDMO C[N@@H+](CCc1cccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000120984478 370819392 /nfs/dbraw/zinc/81/93/92/370819392.db2.gz BYRYBVKNWTWOQL-UHFFFAOYSA-N 1 1 276.361 3.331 20 5 CGBDMO CC[N@H+](Cc1ccccn1)Cc1cccc([N+](=O)[O-])c1C ZINC000125343123 370936080 /nfs/dbraw/zinc/93/60/80/370936080.db2.gz VUDVHIIIZQLSOY-UHFFFAOYSA-N 1 1 285.347 3.320 20 5 CGBDMO CC[N@@H+](Cc1ccccn1)Cc1cccc([N+](=O)[O-])c1C ZINC000125343123 370936087 /nfs/dbraw/zinc/93/60/87/370936087.db2.gz VUDVHIIIZQLSOY-UHFFFAOYSA-N 1 1 285.347 3.320 20 5 CGBDMO COc1ccc(C[N@@H+](C)C(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000050988759 369446702 /nfs/dbraw/zinc/44/67/02/369446702.db2.gz NJEPADRDGWWIHP-UHFFFAOYSA-N 1 1 290.363 3.224 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062708708 369628117 /nfs/dbraw/zinc/62/81/17/369628117.db2.gz RKAQNCFUFJPMBA-UHFFFAOYSA-N 1 1 296.248 3.302 20 5 CGBDMO C[N@@H+](CCNc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000134376546 371328621 /nfs/dbraw/zinc/32/86/21/371328621.db2.gz OQEAKNBMVQFCRH-UHFFFAOYSA-N 1 1 281.331 3.020 20 5 CGBDMO CSC[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000135476618 371430571 /nfs/dbraw/zinc/43/05/71/371430571.db2.gz RXHBMBFAMFBBNU-GFCCVEGCSA-N 1 1 284.356 3.061 20 5 CGBDMO CSC[C@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000135476351 371430769 /nfs/dbraw/zinc/43/07/69/371430769.db2.gz RDRNUWCSFYLIJR-SNVBAGLBSA-N 1 1 284.356 3.061 20 5 CGBDMO COCC(C)(C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000426082523 372149760 /nfs/dbraw/zinc/14/97/60/372149760.db2.gz ZCEXASXNZFDUCP-UHFFFAOYSA-N 1 1 292.379 3.232 20 5 CGBDMO Cc1cc(N[C@@H](C)C2=CC[N@@H+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000292783366 372209674 /nfs/dbraw/zinc/20/96/74/372209674.db2.gz XNPOZUVBLMNKLW-NSHDSACASA-N 1 1 293.342 3.105 20 5 CGBDMO O=[N+]([O-])c1ccc(CNc2cccc(C3CC3)[nH+]2)cc1 ZINC000293085700 372296064 /nfs/dbraw/zinc/29/60/64/372296064.db2.gz WQOCMDHYGXUSIE-UHFFFAOYSA-N 1 1 269.304 3.479 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCCCCO ZINC000435058190 372731269 /nfs/dbraw/zinc/73/12/69/372731269.db2.gz TUVPIMGDWDLWEI-SDNWHVSQSA-N 1 1 292.379 3.093 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCOCC1 ZINC000171825850 372834860 /nfs/dbraw/zinc/83/48/60/372834860.db2.gz YXANFNOMRDEXID-UHFFFAOYSA-N 1 1 292.379 3.232 20 5 CGBDMO CCC[C@]1(COC)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000447080101 373400258 /nfs/dbraw/zinc/40/02/58/373400258.db2.gz SMEJGPGTRQXXKQ-MRXNPFEDSA-N 1 1 292.379 3.376 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000298752981 373400710 /nfs/dbraw/zinc/40/07/10/373400710.db2.gz HQYQCRCJGFGAOY-HNNXBMFYSA-N 1 1 271.320 3.260 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000298752981 373400714 /nfs/dbraw/zinc/40/07/14/373400714.db2.gz HQYQCRCJGFGAOY-HNNXBMFYSA-N 1 1 271.320 3.260 20 5 CGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000301127856 373669589 /nfs/dbraw/zinc/66/95/89/373669589.db2.gz XSEPABGYRXAZSA-NEPJUHHUSA-N 1 1 295.358 3.266 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000301211069 373692793 /nfs/dbraw/zinc/69/27/93/373692793.db2.gz WPHOLLYPUDHZAP-LBPRGKRZSA-N 1 1 293.342 3.163 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H]1C1CC1 ZINC000449425571 373698601 /nfs/dbraw/zinc/69/86/01/373698601.db2.gz HVWLEPXSWUATJQ-YHVDPYDOSA-N 1 1 272.348 3.482 20 5 CGBDMO CC[N@H+]1CCC[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000302773297 373958035 /nfs/dbraw/zinc/95/80/35/373958035.db2.gz NTOVLLQFCXBRPO-NSHDSACASA-N 1 1 297.786 3.392 20 5 CGBDMO COC[C@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000452042442 374216011 /nfs/dbraw/zinc/21/60/11/374216011.db2.gz UCEDXRQSQZRZOQ-LLVKDONJSA-N 1 1 298.770 3.249 20 5 CGBDMO COC[C@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000452042442 374216016 /nfs/dbraw/zinc/21/60/16/374216016.db2.gz UCEDXRQSQZRZOQ-LLVKDONJSA-N 1 1 298.770 3.249 20 5 CGBDMO COC[C@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000452076435 374226003 /nfs/dbraw/zinc/22/60/03/374226003.db2.gz DZBNUHSBNXDWSB-KGLIPLIRSA-N 1 1 292.379 3.404 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182330362 374259111 /nfs/dbraw/zinc/25/91/11/374259111.db2.gz RHTAPYLLLDJMTL-SECBINFHSA-N 1 1 256.733 3.479 20 5 CGBDMO CC(C)CC[C@@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331009812 374495932 /nfs/dbraw/zinc/49/59/32/374495932.db2.gz MXZGDVCPNAVARG-ZDUSSCGKSA-N 1 1 294.399 3.119 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331314218 374520084 /nfs/dbraw/zinc/52/00/84/374520084.db2.gz IEJJECSKKILQLM-DOMZBBRYSA-N 1 1 292.379 3.403 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331314218 374520090 /nfs/dbraw/zinc/52/00/90/374520090.db2.gz IEJJECSKKILQLM-DOMZBBRYSA-N 1 1 292.379 3.403 20 5 CGBDMO C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000190688426 375529929 /nfs/dbraw/zinc/52/99/29/375529929.db2.gz CKJCXPIZGTUHMZ-DIECRNLCSA-N 1 1 292.404 3.435 20 5 CGBDMO CC[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336794131 375944058 /nfs/dbraw/zinc/94/40/58/375944058.db2.gz ZUYWQNLWQLHDMF-LLVKDONJSA-N 1 1 252.289 3.108 20 5 CGBDMO Cc1c(C[N@H+](C)CCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000338258270 376301432 /nfs/dbraw/zinc/30/14/32/376301432.db2.gz KNSJKLIYEGXHCN-UHFFFAOYSA-N 1 1 276.258 3.287 20 5 CGBDMO Cc1c(C[N@@H+](C)CCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000338258270 376301435 /nfs/dbraw/zinc/30/14/35/376301435.db2.gz KNSJKLIYEGXHCN-UHFFFAOYSA-N 1 1 276.258 3.287 20 5 CGBDMO CC[C@H](C)[N@@H+](C)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227889586 376417052 /nfs/dbraw/zinc/41/70/52/376417052.db2.gz ILXIVMYLEHFHLC-VIFPVBQESA-N 1 1 287.310 3.015 20 5 CGBDMO COc1ccc(C[N@H+]2C[C@@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000541326108 376438071 /nfs/dbraw/zinc/43/80/71/376438071.db2.gz UFMHXTYUMRJJSQ-LBPRGKRZSA-N 1 1 292.379 3.471 20 5 CGBDMO Cc1cccc(NC[C@@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000338708527 376492727 /nfs/dbraw/zinc/49/27/27/376492727.db2.gz IGCAEIXHRDYHKL-AWEZNQCLSA-N 1 1 289.379 3.332 20 5 CGBDMO COc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000339031239 376636263 /nfs/dbraw/zinc/63/62/63/376636263.db2.gz BNJRBKGAQMFFCW-YPMHNXCESA-N 1 1 278.352 3.224 20 5 CGBDMO COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000246510731 377044584 /nfs/dbraw/zinc/04/45/84/377044584.db2.gz BHBJALOQHOALAZ-NEPJUHHUSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@@H]1C[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000090795026 249029801 /nfs/dbraw/zinc/02/98/01/249029801.db2.gz FPMFOTBLMDQZTG-MWLCHTKSSA-N 1 1 283.759 3.143 20 5 CGBDMO CCOCC[N@@H+](CC)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000270690435 378388734 /nfs/dbraw/zinc/38/87/34/378388734.db2.gz CBPOAJOIOACUJW-GFCCVEGCSA-N 1 1 266.341 3.014 20 5 CGBDMO C[N@H+](Cc1cccc2c1NCC2)Cc1ccccc1[N+](=O)[O-] ZINC000346821494 218024510 /nfs/dbraw/zinc/02/45/10/218024510.db2.gz ALAOBXUMXBLYEG-UHFFFAOYSA-N 1 1 297.358 3.195 20 5 CGBDMO C[N@@H+](Cc1cccc2c1NCC2)Cc1ccccc1[N+](=O)[O-] ZINC000346821494 218024511 /nfs/dbraw/zinc/02/45/11/218024511.db2.gz ALAOBXUMXBLYEG-UHFFFAOYSA-N 1 1 297.358 3.195 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2CCSC2)C2CC2)cc1 ZINC000278475734 194001774 /nfs/dbraw/zinc/00/17/74/194001774.db2.gz RDHLDJXKHJZQGY-ZDUSSCGKSA-N 1 1 292.404 3.312 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275501063 378957702 /nfs/dbraw/zinc/95/77/02/378957702.db2.gz QZUIFFQEIFYEKB-IUODEOHRSA-N 1 1 292.379 3.057 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000374001220 379360165 /nfs/dbraw/zinc/36/01/65/379360165.db2.gz GGHBIMVSLVYIBM-ZDUSSCGKSA-N 1 1 272.304 3.177 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000374007487 379362686 /nfs/dbraw/zinc/36/26/86/379362686.db2.gz HSAXYYVXMKQILR-CYBMUJFWSA-N 1 1 272.304 3.177 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000378233003 379792799 /nfs/dbraw/zinc/79/27/99/379792799.db2.gz KKGMTUKAGCOUFY-VHDGCEQUSA-N 1 1 290.363 3.014 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000352415374 379804856 /nfs/dbraw/zinc/80/48/56/379804856.db2.gz AYKGLXBDBSBSDD-CQSZACIVSA-N 1 1 290.363 3.368 20 5 CGBDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000282553547 379945264 /nfs/dbraw/zinc/94/52/64/379945264.db2.gz SQZGBRDPUNTNDM-OAHLLOKOSA-N 1 1 296.342 3.125 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352779513 379954395 /nfs/dbraw/zinc/95/43/95/379954395.db2.gz PPLKPCUFPOSPPY-NWDGAFQWSA-N 1 1 278.352 3.081 20 5 CGBDMO CO[C@]1(C)CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000361425908 381743799 /nfs/dbraw/zinc/74/37/99/381743799.db2.gz PMAOJUUSZONPHR-OAHLLOKOSA-N 1 1 296.342 3.125 20 5 CGBDMO CO[C@H](C)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000353777576 220326271 /nfs/dbraw/zinc/32/62/71/220326271.db2.gz BRHRGHJRWLCFKP-RCQQVGEISA-N 1 1 292.379 3.353 20 5 CGBDMO CCC[C@@]1(CO)CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000288849779 197179170 /nfs/dbraw/zinc/17/91/70/197179170.db2.gz PBSIWBDFZVKMNQ-CZUORRHYSA-N 1 1 292.379 3.140 20 5 CGBDMO CC[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCCO1 ZINC000281303584 195189508 /nfs/dbraw/zinc/18/95/08/195189508.db2.gz HPSLGDGHBKYNNE-UKRRQHHQSA-N 1 1 292.379 3.465 20 5 CGBDMO CSCCC[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000281374107 195214872 /nfs/dbraw/zinc/21/48/72/195214872.db2.gz LWLUWSDEKDPKNL-NSHDSACASA-N 1 1 268.382 3.341 20 5 CGBDMO CSCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000281508081 195269122 /nfs/dbraw/zinc/26/91/22/195269122.db2.gz UUGMIJZOQAFHBB-UHFFFAOYSA-N 1 1 268.382 3.088 20 5 CGBDMO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000281770356 195374864 /nfs/dbraw/zinc/37/48/64/195374864.db2.gz SITDMSZVNWRAMZ-GXFFZTMASA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000281770356 195374866 /nfs/dbraw/zinc/37/48/66/195374866.db2.gz SITDMSZVNWRAMZ-GXFFZTMASA-N 1 1 298.770 3.248 20 5 CGBDMO C[N@H+](Cc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000061778852 392129677 /nfs/dbraw/zinc/12/96/77/392129677.db2.gz MDHCKHDXSIBCTM-UHFFFAOYSA-N 1 1 274.295 3.366 20 5 CGBDMO C[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000061778852 392129681 /nfs/dbraw/zinc/12/96/81/392129681.db2.gz MDHCKHDXSIBCTM-UHFFFAOYSA-N 1 1 274.295 3.366 20 5 CGBDMO CO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000282282041 392287877 /nfs/dbraw/zinc/28/78/77/392287877.db2.gz IHXQRPKGXHRMFN-MFKMUULPSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000282282041 392287883 /nfs/dbraw/zinc/28/78/83/392287883.db2.gz IHXQRPKGXHRMFN-MFKMUULPSA-N 1 1 298.770 3.248 20 5 CGBDMO Cc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000153744443 392528688 /nfs/dbraw/zinc/52/86/88/392528688.db2.gz WDSGVUGRDRFJAZ-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000153744443 392528691 /nfs/dbraw/zinc/52/86/91/392528691.db2.gz WDSGVUGRDRFJAZ-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO CC(C)([NH2+]Cc1cccc(O)c1)c1ccccc1[N+](=O)[O-] ZINC000291781202 392480355 /nfs/dbraw/zinc/48/03/55/392480355.db2.gz UYCNJEHRFNTGTB-UHFFFAOYSA-N 1 1 286.331 3.325 20 5 CGBDMO CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000156576619 392548308 /nfs/dbraw/zinc/54/83/08/392548308.db2.gz PXIVNDMNFXNQQC-XPKDYRNWSA-N 1 1 291.395 3.118 20 5 CGBDMO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000156576619 392548312 /nfs/dbraw/zinc/54/83/12/392548312.db2.gz PXIVNDMNFXNQQC-XPKDYRNWSA-N 1 1 291.395 3.118 20 5 CGBDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000375098422 392738004 /nfs/dbraw/zinc/73/80/04/392738004.db2.gz XWIXVCRMNFIDRH-HNNXBMFYSA-N 1 1 292.379 3.152 20 5 CGBDMO CO[C@H]1CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470175661 393229762 /nfs/dbraw/zinc/22/97/62/393229762.db2.gz RFNCQDXOLLYCGX-OVHOFWQVSA-N 1 1 290.363 3.109 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCS[C@H](C)C1 ZINC000470171087 393230183 /nfs/dbraw/zinc/23/01/83/393230183.db2.gz FKZACCHEZVKXRJ-YQCJOKCJSA-N 1 1 292.404 3.435 20 5 CGBDMO Cc1nc(CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000271197837 393248529 /nfs/dbraw/zinc/24/85/29/393248529.db2.gz DUOALAAOJYAEKZ-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO CC(C)C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000351857137 393196365 /nfs/dbraw/zinc/19/63/65/393196365.db2.gz LWBWLECXBMDLTD-UHFFFAOYSA-N 1 1 284.306 3.493 20 5 CGBDMO CC(C)C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000351857137 393196369 /nfs/dbraw/zinc/19/63/69/393196369.db2.gz LWBWLECXBMDLTD-UHFFFAOYSA-N 1 1 284.306 3.493 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c(F)c1 ZINC000356272214 393402242 /nfs/dbraw/zinc/40/22/42/393402242.db2.gz BNVQJQDSJYPYOZ-OAHLLOKOSA-N 1 1 290.338 3.498 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c(F)c1 ZINC000356272214 393402248 /nfs/dbraw/zinc/40/22/48/393402248.db2.gz BNVQJQDSJYPYOZ-OAHLLOKOSA-N 1 1 290.338 3.498 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCSC[C@@H](C)C1 ZINC000488241334 393472732 /nfs/dbraw/zinc/47/27/32/393472732.db2.gz DDRJSYNMXKQWNT-NWDGAFQWSA-N 1 1 280.393 3.341 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)C(C)C ZINC000430193090 393536567 /nfs/dbraw/zinc/53/65/67/393536567.db2.gz CZILXGMDSQYVFE-LLVKDONJSA-N 1 1 266.341 3.080 20 5 CGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1(C)CCCC1 ZINC000489837070 393616216 /nfs/dbraw/zinc/61/62/16/393616216.db2.gz PPZSIOQQPOMYEX-UHFFFAOYSA-N 1 1 262.353 3.402 20 5 CGBDMO C[C@H]([NH2+][C@@H](CN)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423266056 393657138 /nfs/dbraw/zinc/65/71/38/393657138.db2.gz RSRPNZBHMRCHRD-LRDDRELGSA-N 1 1 291.395 3.153 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@H]1C ZINC000493312797 393770513 /nfs/dbraw/zinc/77/05/13/393770513.db2.gz ZVTVZAGSCOHCFQ-UWVGGRQHSA-N 1 1 268.744 3.479 20 5 CGBDMO CC[C@@H]([NH2+][C@H](C)c1ccncn1)c1cccc([N+](=O)[O-])c1 ZINC000453129741 394181710 /nfs/dbraw/zinc/18/17/10/394181710.db2.gz KNOMIGAOBAXEST-BXUZGUMPSA-N 1 1 286.335 3.187 20 5 CGBDMO CC[C@H]([NH2+][C@@H](C)c1ccncn1)c1cccc([N+](=O)[O-])c1 ZINC000453129743 394181964 /nfs/dbraw/zinc/18/19/64/394181964.db2.gz KNOMIGAOBAXEST-FZMZJTMJSA-N 1 1 286.335 3.187 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068476945 165040755 /nfs/dbraw/zinc/04/07/55/165040755.db2.gz OODRIBXZMSJCDX-NEPJUHHUSA-N 1 1 278.352 3.155 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068476945 165040762 /nfs/dbraw/zinc/04/07/62/165040762.db2.gz OODRIBXZMSJCDX-NEPJUHHUSA-N 1 1 278.352 3.155 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000094659472 287122365 /nfs/dbraw/zinc/12/23/65/287122365.db2.gz MPFPUAGGOSMKJG-ZDUSSCGKSA-N 1 1 277.368 3.045 20 5 CGBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000284865024 196147328 /nfs/dbraw/zinc/14/73/28/196147328.db2.gz DJORXYGQHBNMOG-GDBMZVCRSA-N 1 1 290.363 3.047 20 5 CGBDMO CCCC[N@@H+](CC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000131816924 287390494 /nfs/dbraw/zinc/39/04/94/287390494.db2.gz NKZOJUIDVKKJQA-GFCCVEGCSA-N 1 1 293.367 3.044 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000531440286 270207077 /nfs/dbraw/zinc/20/70/77/270207077.db2.gz CVYJXPOMCCJCMY-INIZCTEOSA-N 1 1 283.331 3.327 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000532780020 270219516 /nfs/dbraw/zinc/21/95/16/270219516.db2.gz BEVRJCUUVCJLFY-STQMWFEESA-N 1 1 262.353 3.463 20 5 CGBDMO C[C@@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000301776708 274292839 /nfs/dbraw/zinc/29/28/39/274292839.db2.gz LKPZMIMHZBLLRP-CYBMUJFWSA-N 1 1 289.379 3.048 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2CC[C@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000430138300 278036401 /nfs/dbraw/zinc/03/64/01/278036401.db2.gz YFPOWNIKNHDTHS-JSGCOSHPSA-N 1 1 292.379 3.063 20 5 CGBDMO C[C@H](C[NH+]1CCCCC1)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037153358 278187588 /nfs/dbraw/zinc/18/75/88/278187588.db2.gz BKZWTGDIFJTBPF-ZIAGYGMSSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[N@@H+](CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000156594359 279207530 /nfs/dbraw/zinc/20/75/30/279207530.db2.gz GMRAYUCTDWTAAQ-CQSZACIVSA-N 1 1 293.411 3.284 20 5 CGBDMO CCN(CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000156594359 279207533 /nfs/dbraw/zinc/20/75/33/279207533.db2.gz GMRAYUCTDWTAAQ-CQSZACIVSA-N 1 1 293.411 3.284 20 5 CGBDMO CCC[N@@H+](CC)C[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000516219084 288128827 /nfs/dbraw/zinc/12/88/27/288128827.db2.gz RAPQCLRNRYWLBS-UONOGXRCSA-N 1 1 293.411 3.366 20 5 CGBDMO CCCN(CC)C[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000516219084 288128829 /nfs/dbraw/zinc/12/88/29/288128829.db2.gz RAPQCLRNRYWLBS-UONOGXRCSA-N 1 1 293.411 3.366 20 5 CGBDMO C[C@H]1[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000432144000 280107010 /nfs/dbraw/zinc/10/70/10/280107010.db2.gz TYVJXHJHYFFWIF-ONGXEEELSA-N 1 1 283.759 3.143 20 5 CGBDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000348245524 280108822 /nfs/dbraw/zinc/10/88/22/280108822.db2.gz KKQHREKSZVCEFB-JOYOIKCWSA-N 1 1 288.269 3.368 20 5 CGBDMO CC(C)C[C@@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000552625434 289194538 /nfs/dbraw/zinc/19/45/38/289194538.db2.gz ROJBEYXNJPIJRW-GFCCVEGCSA-N 1 1 262.353 3.388 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCc2occc2C1 ZINC000563778119 322009711 /nfs/dbraw/zinc/00/97/11/322009711.db2.gz YPOGMJURYWWUJE-UHFFFAOYSA-N 1 1 286.331 3.445 20 5 CGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000564693502 322038843 /nfs/dbraw/zinc/03/88/43/322038843.db2.gz SECVAZOGVAGXFQ-GFCCVEGCSA-N 1 1 295.383 3.136 20 5 CGBDMO CCOC[C@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000081519177 520182187 /nfs/dbraw/zinc/18/21/87/520182187.db2.gz AOIDFZKLCYGJNE-STQMWFEESA-N 1 1 278.352 3.014 20 5 CGBDMO CC[N@H+](CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000155845875 528518188 /nfs/dbraw/zinc/51/81/88/528518188.db2.gz NNKAJWQLNYPEIT-CYBMUJFWSA-N 1 1 291.395 3.038 20 5 CGBDMO CC[N@@H+](CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000155845875 528518195 /nfs/dbraw/zinc/51/81/95/528518195.db2.gz NNKAJWQLNYPEIT-CYBMUJFWSA-N 1 1 291.395 3.038 20 5 CGBDMO CCCC[C@@H](CN)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423298271 528819972 /nfs/dbraw/zinc/81/99/72/528819972.db2.gz NVGAFZMJLOFZSN-JSGCOSHPSA-N 1 1 279.384 3.071 20 5 CGBDMO CCC[N@H+]1CC[C@@H](CNc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000461780143 534950689 /nfs/dbraw/zinc/95/06/89/534950689.db2.gz XCXIFLQUYCDMSU-LBPRGKRZSA-N 1 1 295.358 3.186 20 5 CGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000481396400 536180714 /nfs/dbraw/zinc/18/07/14/536180714.db2.gz FVQDMMSYBGVCCL-WFASDCNBSA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@H]1CCCCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000738226090 572367281 /nfs/dbraw/zinc/36/72/81/572367281.db2.gz JYWKZGDHZXWQDU-LBPRGKRZSA-N 1 1 288.351 3.167 20 5 CGBDMO CC[N@@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000891822433 618319649 /nfs/dbraw/zinc/31/96/49/618319649.db2.gz AEHXEXBTQNDNJP-NSHDSACASA-N 1 1 296.367 3.175 20 5 CGBDMO CCC[N@@H+](CC)CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000080242101 618885273 /nfs/dbraw/zinc/88/52/73/618885273.db2.gz PMEKFLJTLCANFI-UHFFFAOYSA-N 1 1 299.802 3.070 20 5 CGBDMO CC(C)(/C=C/Cl)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000896747061 620055773 /nfs/dbraw/zinc/05/57/73/620055773.db2.gz JICXBQRVULTXTQ-AATRIKPKSA-N 1 1 295.726 3.357 20 5 CGBDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000173386602 623320016 /nfs/dbraw/zinc/32/00/16/623320016.db2.gz RSKQROZUWXMRCG-BXUZGUMPSA-N 1 1 294.399 3.266 20 5 CGBDMO CC(C)(/C=C\Cl)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000922648395 626025427 /nfs/dbraw/zinc/02/54/27/626025427.db2.gz HXCQCYQPEYIIFP-ARJAWSKDSA-N 1 1 260.746 3.277 20 5 CGBDMO C[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000752074236 626417677 /nfs/dbraw/zinc/41/76/77/626417677.db2.gz DWCVZEOFGIYRLG-SECBINFHSA-N 1 1 254.717 3.233 20 5 CGBDMO C[N@H+](Cc1ccc2c(c1)COC2)Cc1ccccc1[N+](=O)[O-] ZINC000768337923 627474153 /nfs/dbraw/zinc/47/41/53/627474153.db2.gz WXHXJCMTUUAQNK-UHFFFAOYSA-N 1 1 298.342 3.257 20 5 CGBDMO C[N@@H+](Cc1ccc2c(c1)COC2)Cc1ccccc1[N+](=O)[O-] ZINC000768337923 627474156 /nfs/dbraw/zinc/47/41/56/627474156.db2.gz WXHXJCMTUUAQNK-UHFFFAOYSA-N 1 1 298.342 3.257 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC12CCOCC2 ZINC000769894690 627587551 /nfs/dbraw/zinc/58/75/51/627587551.db2.gz XFIHKKRTFFRDKC-UHFFFAOYSA-N 1 1 296.754 3.003 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC12CCOCC2 ZINC000769894690 627587554 /nfs/dbraw/zinc/58/75/54/627587554.db2.gz XFIHKKRTFFRDKC-UHFFFAOYSA-N 1 1 296.754 3.003 20 5 CGBDMO CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000772953211 627834709 /nfs/dbraw/zinc/83/47/09/627834709.db2.gz RXFJFLIJEBOABJ-JTQLQIEISA-N 1 1 289.335 3.304 20 5 CGBDMO CC(C)[C@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783586280 628729056 /nfs/dbraw/zinc/72/90/56/628729056.db2.gz XZGPMYGHZHPAGY-GFCCVEGCSA-N 1 1 268.744 3.479 20 5 CGBDMO CC(C)[C@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783586280 628729058 /nfs/dbraw/zinc/72/90/58/628729058.db2.gz XZGPMYGHZHPAGY-GFCCVEGCSA-N 1 1 268.744 3.479 20 5 CGBDMO O=[N+]([O-])CC[N@H+]1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000791051605 629253041 /nfs/dbraw/zinc/25/30/41/629253041.db2.gz GMMIBUNWAJITTH-OFAQMXQXSA-N 1 1 274.364 3.221 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1C ZINC000792867205 629389059 /nfs/dbraw/zinc/38/90/59/629389059.db2.gz MKVLDXRHAHRRPW-GHMZBOCLSA-N 1 1 293.323 3.123 20 5 CGBDMO C[N@@H+](CCc1cccs1)CCc1cccc([N+](=O)[O-])c1 ZINC000801601200 630347583 /nfs/dbraw/zinc/34/75/83/630347583.db2.gz ZIRCXAPPZKHUCS-UHFFFAOYSA-N 1 1 290.388 3.373 20 5 CGBDMO Cc1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000809688275 630783369 /nfs/dbraw/zinc/78/33/69/630783369.db2.gz GFTAKGZBXHFWMV-UHFFFAOYSA-N 1 1 288.347 3.479 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000122597348 633445705 /nfs/dbraw/zinc/44/57/05/633445705.db2.gz QRWVZYYKIVMVEW-WCQYABFASA-N 1 1 295.770 3.287 20 5 CGBDMO C[C@@H]1C[C@@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000122829760 633518735 /nfs/dbraw/zinc/51/87/35/633518735.db2.gz PCOPAEQAVQONPF-MWLCHTKSSA-N 1 1 295.770 3.285 20 5 CGBDMO C[C@H]([NH2+]CCC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872042837 633965820 /nfs/dbraw/zinc/96/58/20/633965820.db2.gz SZIJHJDBPHGLRG-ZETCQYMHSA-N 1 1 280.221 3.337 20 5 CGBDMO CC/C=C/C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872075417 633997917 /nfs/dbraw/zinc/99/79/17/633997917.db2.gz RFKGRILSLWLBHA-ORAHPGNNSA-N 1 1 252.289 3.351 20 5 CGBDMO CCc1ncc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000873183272 634273621 /nfs/dbraw/zinc/27/36/21/634273621.db2.gz BGYMSAMHRJXDSB-JTQLQIEISA-N 1 1 291.376 3.465 20 5 CGBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCCC[C@@H]3F)nc2c1 ZINC000877683086 635143790 /nfs/dbraw/zinc/14/37/90/635143790.db2.gz YGCHSPBGDINAKF-WDEREUQCSA-N 1 1 293.298 3.106 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000877736209 635169567 /nfs/dbraw/zinc/16/95/67/635169567.db2.gz QTPSYMLUNZOHLT-KGLIPLIRSA-N 1 1 292.404 3.088 20 5 CGBDMO Cc1c(C[N@H+]2CCC[C@@H](CF)C2)cccc1[N+](=O)[O-] ZINC000880231918 635944159 /nfs/dbraw/zinc/94/41/59/635944159.db2.gz BGXVCJZZZUKSMD-LBPRGKRZSA-N 1 1 266.316 3.085 20 5 CGBDMO COC/C(C)=C\C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000929852018 638956639 /nfs/dbraw/zinc/95/66/39/638956639.db2.gz DTDCGUUHPJYLOT-JYRVWZFOSA-N 1 1 290.363 3.152 20 5 CGBDMO Cc1nnsc1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000930208556 638982941 /nfs/dbraw/zinc/98/29/41/638982941.db2.gz SJVHLBXGARTCFJ-DTWKUNHWSA-N 1 1 292.364 3.167 20 5 CGBDMO CCC[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246270294 640667880 /nfs/dbraw/zinc/66/78/80/640667880.db2.gz MHJAWTWHFMMSSM-CZUORRHYSA-N 1 1 292.379 3.140 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1F ZINC000094774907 640802180 /nfs/dbraw/zinc/80/21/80/640802180.db2.gz LNZXNSDBKNTIAJ-OCCSQVGLSA-N 1 1 278.327 3.498 20 5 CGBDMO CCC(CC)[N@@H+](CCOC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774668 640802347 /nfs/dbraw/zinc/80/23/47/640802347.db2.gz MKTOQRXCHYLVSX-UHFFFAOYSA-N 1 1 298.358 3.371 20 5 CGBDMO C[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)S1 ZINC000094774874 640802462 /nfs/dbraw/zinc/80/24/62/640802462.db2.gz DYOMWVYDYKQTSM-UWVGGRQHSA-N 1 1 284.356 3.060 20 5 CGBDMO CC[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774368 640802623 /nfs/dbraw/zinc/80/26/23/640802623.db2.gz IUVRAJQQCWYMLM-NSHDSACASA-N 1 1 252.289 3.108 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)CC12CC2 ZINC001254565967 806451766 /nfs/dbraw/zinc/45/17/66/806451766.db2.gz RJLFAXMMPGOYFA-CHWSQXEVSA-N 1 1 274.364 3.400 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]2C[C@H]21 ZINC001254563826 806451808 /nfs/dbraw/zinc/45/18/08/806451808.db2.gz DLNSIMAQMOBKQG-OSAQELSMSA-N 1 1 260.337 3.010 20 5 CGBDMO CO[C@@H]1CC[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001254570937 806453285 /nfs/dbraw/zinc/45/32/85/806453285.db2.gz QRNOSCAHNCDUAW-VNHYZAJKSA-N 1 1 292.379 3.025 20 5 CGBDMO C[N@@H+](C[C@@H]1CC1(C)C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604750 806460280 /nfs/dbraw/zinc/46/02/80/806460280.db2.gz XLQWSEXFBGSRSQ-DZGCQCFKSA-N 1 1 274.364 3.040 20 5 CGBDMO CCC1CCC([N@H+](Cn2nccc2[N+](=O)[O-])C2CC2)CC1 ZINC000123733011 798995253 /nfs/dbraw/zinc/99/52/53/798995253.db2.gz BCYWVFWQRNMSBK-UHFFFAOYSA-N 1 1 292.383 3.182 20 5 CGBDMO CCC1CCC([N@@H+](Cn2nccc2[N+](=O)[O-])C2CC2)CC1 ZINC000123733011 798995258 /nfs/dbraw/zinc/99/52/58/798995258.db2.gz BCYWVFWQRNMSBK-UHFFFAOYSA-N 1 1 292.383 3.182 20 5 CGBDMO CC[N@H+]1CC[C@@H]1CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000712551652 800093858 /nfs/dbraw/zinc/09/38/58/800093858.db2.gz YYZFELWLMNOWLB-SNVBAGLBSA-N 1 1 285.294 3.039 20 5 CGBDMO [NH3+]Cc1cc(=O)n(-c2ccc3cc4ccccc4cc3c2)[nH]1 ZINC001245922928 804050580 /nfs/dbraw/zinc/05/05/80/804050580.db2.gz GPNSDQUOKSFIIJ-UHFFFAOYSA-N 1 1 289.338 3.343 20 5 CGBDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001167487329 807199672 /nfs/dbraw/zinc/19/96/72/807199672.db2.gz KBWHIPALFRCCDF-WDEREUQCSA-N 1 1 266.316 3.354 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](c3cccc(F)c3)C2)C1 ZINC001169038168 807557078 /nfs/dbraw/zinc/55/70/78/807557078.db2.gz WJJNSBCDKXFRMS-XNRPHZJLSA-N 1 1 292.354 3.060 20 5 CGBDMO CC[N@@H+](Cc1cccc(F)c1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040204 807557931 /nfs/dbraw/zinc/55/79/31/807557931.db2.gz YSCSFNLCYFGYDG-HIFRSBDPSA-N 1 1 280.343 3.093 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[NH+]1CC(c2ccc(F)cc2)C1 ZINC001261297449 807734479 /nfs/dbraw/zinc/73/44/79/807734479.db2.gz AYNZECSFOPEBEV-UHFFFAOYSA-N 1 1 286.306 3.333 20 5 CGBDMO C[C@@H]1CCC[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909457 808476087 /nfs/dbraw/zinc/47/60/87/808476087.db2.gz RYPVNIHISGTXJX-DOMZBBRYSA-N 1 1 274.364 3.327 20 5 CGBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@H](C)C2)c1F ZINC001173181804 808533484 /nfs/dbraw/zinc/53/34/84/808533484.db2.gz PWDNKCDSRFRBPH-QWRGUYRKSA-N 1 1 296.342 3.015 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](F)CC1 ZINC001173229394 808542770 /nfs/dbraw/zinc/54/27/70/808542770.db2.gz UEGFEJBNKVNYBA-GXTWGEPZSA-N 1 1 280.343 3.350 20 5 CGBDMO CC[C@@H]1CC[C@@H](C)[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001174623381 809107187 /nfs/dbraw/zinc/10/71/87/809107187.db2.gz QNMOSYHDWJGXFH-ZIAGYGMSSA-N 1 1 292.379 3.484 20 5 CGBDMO CC[C@@H]1C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H](C)O1 ZINC001180280837 809988990 /nfs/dbraw/zinc/98/89/90/809988990.db2.gz NRYCZSFRMRSHRW-TZMCWYRMSA-N 1 1 292.379 3.211 20 5 CGBDMO CC[C@@H]1C[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H](C)O1 ZINC001180280837 809988991 /nfs/dbraw/zinc/98/89/91/809988991.db2.gz NRYCZSFRMRSHRW-TZMCWYRMSA-N 1 1 292.379 3.211 20 5 CGBDMO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1Cl ZINC001194633487 811099169 /nfs/dbraw/zinc/09/91/69/811099169.db2.gz TWGHWVRLWFZUDF-JTQLQIEISA-N 1 1 291.738 3.494 20 5 CGBDMO O=[N+]([O-])c1ccccc1Nc1cc[nH+]cc1C(F)(F)F ZINC001206139946 813210634 /nfs/dbraw/zinc/21/06/34/813210634.db2.gz CFISBNDVUGFNCW-UHFFFAOYSA-N 1 1 283.209 3.174 20 5 CGBDMO C[N@H+]1CC[C@@H](Oc2ccc3c(c2)oc(=O)c2ccccc32)C1 ZINC001226511805 817380469 /nfs/dbraw/zinc/38/04/69/817380469.db2.gz JZOOETHTVZTBGZ-CYBMUJFWSA-N 1 1 295.338 3.029 20 5 CGBDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001226762935 817457837 /nfs/dbraw/zinc/45/78/37/817457837.db2.gz YLFZJDBZMKRVRZ-LBPRGKRZSA-N 1 1 298.770 3.500 20 5 CGBDMO CC[N@H+]1CCC[C@@H](Oc2c(C)ccc([N+](=O)[O-])c2Cl)C1 ZINC001226989167 817527009 /nfs/dbraw/zinc/52/70/09/817527009.db2.gz LEEMMNZGNQQDBO-LLVKDONJSA-N 1 1 298.770 3.420 20 5 CGBDMO C[N@H+]1CC[C@@H](Oc2cccc3cc4ccccc4nc32)C1 ZINC001228173178 817831731 /nfs/dbraw/zinc/83/17/31/817831731.db2.gz IKOJCTUDYXWWMU-OAHLLOKOSA-N 1 1 278.355 3.471 20 5 CGBDMO CC[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774271 927575035 /nfs/dbraw/zinc/57/50/35/927575035.db2.gz ZATSGYDXFASXQR-SNVBAGLBSA-N 1 1 254.305 3.212 20 5 CGBDMO CCC[C@@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC001460902850 928748797 /nfs/dbraw/zinc/74/87/97/928748797.db2.gz TWTKSPFCUUSACU-LLVKDONJSA-N 1 1 266.316 3.498 20 5 CGBDMO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CC[N@H+](C(C)C)C1 ZINC001230723316 932615133 /nfs/dbraw/zinc/61/51/33/932615133.db2.gz HZHRMUSNELLVQJ-CYBMUJFWSA-N 1 1 278.352 3.073 20 5 CGBDMO CCC[C@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001308132861 933053854 /nfs/dbraw/zinc/05/38/54/933053854.db2.gz COIKFFUISJJXIN-ZDUSSCGKSA-N 1 1 278.352 3.238 20 5 CGBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2cc(F)cnc2Cl)c1 ZINC001308420162 933108814 /nfs/dbraw/zinc/10/88/14/933108814.db2.gz BDUUCDYFUMJDMB-UHFFFAOYSA-N 1 1 295.701 3.072 20 5 CGBDMO CO[C@H](C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC001330547868 935294665 /nfs/dbraw/zinc/29/46/65/935294665.db2.gz SSFFIVGZCDAZKU-MRXNPFEDSA-N 1 1 290.363 3.116 20 5 CGBDMO CO[C@H](C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC001330547868 935294668 /nfs/dbraw/zinc/29/46/68/935294668.db2.gz SSFFIVGZCDAZKU-MRXNPFEDSA-N 1 1 290.363 3.116 20 5 CGBDMO CC[N@H+]1CCCC[C@@H]1CNc1cc(C)ccc1[N+](=O)[O-] ZINC001559104045 938220440 /nfs/dbraw/zinc/22/04/40/938220440.db2.gz ZZDYMDOIFYETFB-CYBMUJFWSA-N 1 1 277.368 3.190 20 5 CGBDMO CC[C@@H]1C[N@@H+](C)CCCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC001559223918 938222927 /nfs/dbraw/zinc/22/29/27/938222927.db2.gz PSVSJFIILZATHA-GFCCVEGCSA-N 1 1 297.786 3.169 20 5 CGBDMO CC[C@@H](C)C[N@@H+](CC)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001560649739 938268052 /nfs/dbraw/zinc/26/80/52/938268052.db2.gz QTTAIIUPYOTLNA-LLVKDONJSA-N 1 1 296.367 3.177 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000125357830 187181299 /nfs/dbraw/zinc/18/12/99/187181299.db2.gz LTCAZQICQKBZFN-OAHLLOKOSA-N 1 1 283.331 3.327 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000125357830 187181300 /nfs/dbraw/zinc/18/13/00/187181300.db2.gz LTCAZQICQKBZFN-OAHLLOKOSA-N 1 1 283.331 3.327 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(CF)CC2)ccc1Cl ZINC000294985150 199284880 /nfs/dbraw/zinc/28/48/80/199284880.db2.gz GZFOJKVMTJDAKL-UHFFFAOYSA-N 1 1 286.734 3.430 20 5 CGBDMO CS[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000295046424 199317497 /nfs/dbraw/zinc/31/74/97/199317497.db2.gz NAKAMPYZGAVTNW-LLVKDONJSA-N 1 1 286.784 3.186 20 5 CGBDMO CS[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000295046424 199317499 /nfs/dbraw/zinc/31/74/99/199317499.db2.gz NAKAMPYZGAVTNW-LLVKDONJSA-N 1 1 286.784 3.186 20 5 CGBDMO Cc1c(C[N@@H+](C)[C@H](C)c2ccccn2)cccc1[N+](=O)[O-] ZINC000128004735 187346204 /nfs/dbraw/zinc/34/62/04/187346204.db2.gz RAILJADBZPTPMZ-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1c(C[N@H+](C)[C@H](C)c2ccccn2)cccc1[N+](=O)[O-] ZINC000128004735 187346205 /nfs/dbraw/zinc/34/62/05/187346205.db2.gz RAILJADBZPTPMZ-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000034031185 344937361 /nfs/dbraw/zinc/93/73/61/344937361.db2.gz JSOFGFPBZSHDPT-CYBMUJFWSA-N 1 1 278.352 3.238 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1CCCC1 ZINC000064021325 345256435 /nfs/dbraw/zinc/25/64/35/345256435.db2.gz QWPCYXJPOPNXBM-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000075021390 345489773 /nfs/dbraw/zinc/48/97/73/345489773.db2.gz YNWYLLYADASUDL-GXSJLCMTSA-N 1 1 254.355 3.277 20 5 CGBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C)C1 ZINC000080652681 345681492 /nfs/dbraw/zinc/68/14/92/345681492.db2.gz UWDYTPWOMMYDIE-AWEZNQCLSA-N 1 1 291.395 3.071 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000088718996 345763965 /nfs/dbraw/zinc/76/39/65/345763965.db2.gz BYWXVDQOQOTAML-LBPRGKRZSA-N 1 1 286.335 3.010 20 5 CGBDMO CC[N@H+](Cc1ccoc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000102407790 345915843 /nfs/dbraw/zinc/91/58/43/345915843.db2.gz OZZMNSDIAXVHCU-UHFFFAOYSA-N 1 1 260.293 3.210 20 5 CGBDMO CC[N@@H+](Cc1ccoc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000102407790 345915846 /nfs/dbraw/zinc/91/58/46/345915846.db2.gz OZZMNSDIAXVHCU-UHFFFAOYSA-N 1 1 260.293 3.210 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1Cc2ccccc2C1 ZINC000141156192 346107032 /nfs/dbraw/zinc/10/70/32/346107032.db2.gz MHJSQEANZSQHTD-UHFFFAOYSA-N 1 1 282.343 3.194 20 5 CGBDMO Cc1cc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(F)cc1[N+](=O)[O-] ZINC000314747079 346482378 /nfs/dbraw/zinc/48/23/78/346482378.db2.gz QNACKZAXFVCWJC-TZMCWYRMSA-N 1 1 293.342 3.081 20 5 CGBDMO Cc1noc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)c1[N+](=O)[O-] ZINC000595325742 347291778 /nfs/dbraw/zinc/29/17/78/347291778.db2.gz VPGOKFCRYWJQDT-OAHLLOKOSA-N 1 1 291.351 3.214 20 5 CGBDMO CC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccc(C)cc1 ZINC000595410303 347299294 /nfs/dbraw/zinc/29/92/94/347299294.db2.gz SICMYSWZMOUZEV-ZDUSSCGKSA-N 1 1 289.335 3.441 20 5 CGBDMO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595425932 347301659 /nfs/dbraw/zinc/30/16/59/347301659.db2.gz VKRQNFQUROYHBB-CHWSQXEVSA-N 1 1 289.379 3.174 20 5 CGBDMO C[C@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595056930 347272637 /nfs/dbraw/zinc/27/26/37/347272637.db2.gz SZGQVLGNLPVCIX-GXTWGEPZSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595056930 347272641 /nfs/dbraw/zinc/27/26/41/347272641.db2.gz SZGQVLGNLPVCIX-GXTWGEPZSA-N 1 1 291.395 3.118 20 5 CGBDMO Cc1noc(C[N@H+]2CCCC3(CCCC3)CC2)c1[N+](=O)[O-] ZINC000595641427 347331807 /nfs/dbraw/zinc/33/18/07/347331807.db2.gz LZCLKAJALURAPR-UHFFFAOYSA-N 1 1 293.367 3.438 20 5 CGBDMO Cc1noc(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595467232 347307567 /nfs/dbraw/zinc/30/75/67/347307567.db2.gz QLWACSXRCWFAES-LLVKDONJSA-N 1 1 281.356 3.149 20 5 CGBDMO Cc1cc(NC[C@@H]2CC[N@H+]2C(C)(C)C)c([N+](=O)[O-])s1 ZINC000596308283 347413893 /nfs/dbraw/zinc/41/38/93/347413893.db2.gz JPQPZODKWDLROD-JTQLQIEISA-N 1 1 283.397 3.249 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1=CCSC1 ZINC000595895622 347370772 /nfs/dbraw/zinc/37/07/72/347370772.db2.gz QTSFOPBLDQXNLJ-LLVKDONJSA-N 1 1 278.377 3.261 20 5 CGBDMO CCC[N@H+]1CC[C@H](CNc2cc(C)sc2[N+](=O)[O-])C1 ZINC000596090010 347382420 /nfs/dbraw/zinc/38/24/20/347382420.db2.gz TVCUKUCIEVXMKG-LLVKDONJSA-N 1 1 283.397 3.109 20 5 CGBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+](C3CC3)C3CC3)co2)cc1 ZINC000599597977 347757347 /nfs/dbraw/zinc/75/73/47/347757347.db2.gz BZGFYXFYLUJEOW-UHFFFAOYSA-N 1 1 299.330 3.377 20 5 CGBDMO Cc1ncc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)s1 ZINC000601149052 347874849 /nfs/dbraw/zinc/87/48/49/347874849.db2.gz FMCXWIONMWVYRQ-MRVPVSSYSA-N 1 1 295.339 3.350 20 5 CGBDMO CC12CC(C1)CN2c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601199406 347879491 /nfs/dbraw/zinc/87/94/91/347879491.db2.gz REMDIMPCQISATM-UHFFFAOYSA-N 1 1 269.304 3.132 20 5 CGBDMO C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000602020086 347933877 /nfs/dbraw/zinc/93/38/77/347933877.db2.gz HUDWZXTUWOJWAF-OCCSQVGLSA-N 1 1 291.395 3.024 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC3(CCC3)C2)c(F)c1 ZINC000351879752 219235773 /nfs/dbraw/zinc/23/57/73/219235773.db2.gz VHYSBOWCWUXWQW-UHFFFAOYSA-N 1 1 282.290 3.249 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC3(CCC3)C2)c(F)c1 ZINC000351879752 219235775 /nfs/dbraw/zinc/23/57/75/219235775.db2.gz VHYSBOWCWUXWQW-UHFFFAOYSA-N 1 1 282.290 3.249 20 5 CGBDMO CC1C[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602646968 348000653 /nfs/dbraw/zinc/00/06/53/348000653.db2.gz FJUBOAUOGLXWKW-UHFFFAOYSA-N 1 1 274.242 3.065 20 5 CGBDMO CCC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000604083933 348109527 /nfs/dbraw/zinc/10/95/27/348109527.db2.gz AOIBQKMIOBIKSL-UHFFFAOYSA-N 1 1 292.379 3.486 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccsc1[N+](=O)[O-] ZINC000609595597 348348558 /nfs/dbraw/zinc/34/85/58/348348558.db2.gz RKNLURJZBDPGHE-LLVKDONJSA-N 1 1 283.397 3.333 20 5 CGBDMO Cc1cc(N2CCC[N@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000609560650 348346753 /nfs/dbraw/zinc/34/67/53/348346753.db2.gz DTIXPAPKZLIGIN-UHFFFAOYSA-N 1 1 291.395 3.214 20 5 CGBDMO C[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000610215247 348366863 /nfs/dbraw/zinc/36/68/63/348366863.db2.gz HAVBRJYTWGAPPV-ZIAGYGMSSA-N 1 1 292.379 3.484 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000610215441 348367546 /nfs/dbraw/zinc/36/75/46/348367546.db2.gz SLACGJQKOSOMAA-KGLIPLIRSA-N 1 1 292.379 3.484 20 5 CGBDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610372173 348380596 /nfs/dbraw/zinc/38/05/96/348380596.db2.gz HFMIRNIDGDQVOP-UONOGXRCSA-N 1 1 292.379 3.484 20 5 CGBDMO CCO[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000610930436 348410747 /nfs/dbraw/zinc/41/07/47/348410747.db2.gz CELQSGZALZKLSL-KKTNHOPESA-N 1 1 290.363 3.109 20 5 CGBDMO CC(C)[C@H](C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581070 348391265 /nfs/dbraw/zinc/39/12/65/348391265.db2.gz GGZOGEUOQWPLLJ-JTQLQIEISA-N 1 1 277.324 3.212 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000610762792 348402731 /nfs/dbraw/zinc/40/27/31/348402731.db2.gz WATVYKLMRVPJNV-IUODEOHRSA-N 1 1 290.363 3.366 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000610762792 348402732 /nfs/dbraw/zinc/40/27/32/348402732.db2.gz WATVYKLMRVPJNV-IUODEOHRSA-N 1 1 290.363 3.366 20 5 CGBDMO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000611133233 348424481 /nfs/dbraw/zinc/42/44/81/348424481.db2.gz VBICBEGRBRJVJM-GFCCVEGCSA-N 1 1 289.360 3.255 20 5 CGBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000611133233 348424482 /nfs/dbraw/zinc/42/44/82/348424482.db2.gz VBICBEGRBRJVJM-GFCCVEGCSA-N 1 1 289.360 3.255 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCOC[C@@H]1C ZINC000615835241 348767844 /nfs/dbraw/zinc/76/78/44/348767844.db2.gz CWSZXQPLFNWREZ-SSUFTNFISA-N 1 1 290.363 3.109 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCSC(C)(C)C1 ZINC000083418785 260349971 /nfs/dbraw/zinc/34/99/71/260349971.db2.gz QQMXOHUGBCXWTE-LLVKDONJSA-N 1 1 280.393 3.483 20 5 CGBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000124122548 187123235 /nfs/dbraw/zinc/12/32/35/187123235.db2.gz ZEFYNXMGVKEFOB-UKRRQHHQSA-N 1 1 292.379 3.110 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000123264095 187081467 /nfs/dbraw/zinc/08/14/67/187081467.db2.gz URHGLIUCNSAVGP-AOOOYVTPSA-N 1 1 252.289 3.107 20 5 CGBDMO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000271479746 191162949 /nfs/dbraw/zinc/16/29/49/191162949.db2.gz IVKBDTKYDPVKGG-IINYFYTJSA-N 1 1 286.335 3.046 20 5 CGBDMO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cccc([N+](=O)[O-])c1 ZINC000271479746 191162952 /nfs/dbraw/zinc/16/29/52/191162952.db2.gz IVKBDTKYDPVKGG-IINYFYTJSA-N 1 1 286.335 3.046 20 5 CGBDMO Cc1ccc([C@@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000156564659 188269217 /nfs/dbraw/zinc/26/92/17/188269217.db2.gz UMUXGTWZPATWJF-NFAWXSAZSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1ccc([C@@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000156564659 188269218 /nfs/dbraw/zinc/26/92/18/188269218.db2.gz UMUXGTWZPATWJF-NFAWXSAZSA-N 1 1 291.395 3.037 20 5 CGBDMO C[C@@H](NCC[C@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000271726172 191293573 /nfs/dbraw/zinc/29/35/73/191293573.db2.gz YTIHPTXLKGINAG-UKRRQHHQSA-N 1 1 291.395 3.120 20 5 CGBDMO Cc1c([C@H](C)NC[C@@H]([NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000423243016 236007628 /nfs/dbraw/zinc/00/76/28/236007628.db2.gz MNJOONDSKAGNPO-XJKSGUPXSA-N 1 1 299.374 3.254 20 5 CGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000426828802 236317075 /nfs/dbraw/zinc/31/70/75/236317075.db2.gz WSVYXKBWYTXNAH-OKILXGFUSA-N 1 1 290.363 3.096 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC(F)F ZINC000298056001 200324863 /nfs/dbraw/zinc/32/48/63/200324863.db2.gz JKLNXMYKNHQZBQ-ZYHUDNBSSA-N 1 1 284.306 3.161 20 5 CGBDMO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000179303995 189184093 /nfs/dbraw/zinc/18/40/93/189184093.db2.gz CAAUPOMXPJBVIB-UHFFFAOYSA-N 1 1 289.360 3.313 20 5 CGBDMO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000179303995 189184094 /nfs/dbraw/zinc/18/40/94/189184094.db2.gz CAAUPOMXPJBVIB-UHFFFAOYSA-N 1 1 289.360 3.313 20 5 CGBDMO COC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000181644561 189303572 /nfs/dbraw/zinc/30/35/72/189303572.db2.gz HEOCCYLKCZHYEU-HNNXBMFYSA-N 1 1 286.331 3.072 20 5 CGBDMO Cc1ccc(NCC[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301566722 201071651 /nfs/dbraw/zinc/07/16/51/201071651.db2.gz ZJZXKWBRZHGGQO-ZDUSSCGKSA-N 1 1 277.368 3.047 20 5 CGBDMO CC[N@@H+](CCNc1ccc(C)cc1[N+](=O)[O-])C(C)C ZINC000301834782 201223820 /nfs/dbraw/zinc/22/38/20/201223820.db2.gz WANSWQOKCOFIPM-UHFFFAOYSA-N 1 1 265.357 3.045 20 5 CGBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])c(C)c1)C(C)C ZINC000301954303 201275856 /nfs/dbraw/zinc/27/58/56/201275856.db2.gz KIGANELMWDNHJJ-UHFFFAOYSA-N 1 1 265.357 3.045 20 5 CGBDMO CC(C)c1ccc(CNC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000453602921 240968934 /nfs/dbraw/zinc/96/89/34/240968934.db2.gz XCQGPPYIXZIDJQ-UHFFFAOYSA-N 1 1 293.411 3.148 20 5 CGBDMO CC(C)OC1CC([N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000459439653 242110126 /nfs/dbraw/zinc/11/01/26/242110126.db2.gz KONGZNCIPDRGJD-UHFFFAOYSA-N 1 1 292.379 3.025 20 5 CGBDMO Cc1cc(N(C)CC[C@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000463072855 242384892 /nfs/dbraw/zinc/38/48/92/242384892.db2.gz WXNQVXWCMKJTTR-CQSZACIVSA-N 1 1 291.395 3.214 20 5 CGBDMO Cc1ccc(C[N@H+]2CCC(C)=C(C)C2)cc1[N+](=O)[O-] ZINC000482452770 243227766 /nfs/dbraw/zinc/22/77/66/243227766.db2.gz UTADCFACYLMVLG-UHFFFAOYSA-N 1 1 260.337 3.445 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccccn2)cc1[N+](=O)[O-] ZINC000020091704 368800392 /nfs/dbraw/zinc/80/03/92/368800392.db2.gz RLSXVPQHVSTNGO-GFCCVEGCSA-N 1 1 271.320 3.149 20 5 CGBDMO CCOc1cc(C[N@@H+](CC)C2CCC2)ccc1[N+](=O)[O-] ZINC000492787734 244024843 /nfs/dbraw/zinc/02/48/43/244024843.db2.gz GEURVTALRZWXJK-UHFFFAOYSA-N 1 1 278.352 3.368 20 5 CGBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493237812 244124906 /nfs/dbraw/zinc/12/49/06/244124906.db2.gz NQWPGWXIRFSHOX-NXEZZACHSA-N 1 1 268.744 3.479 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCSCC2)c1 ZINC000042443858 369220847 /nfs/dbraw/zinc/22/08/47/369220847.db2.gz JAHATYTWSDZTRG-UHFFFAOYSA-N 1 1 286.784 3.187 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCSCC2)c1 ZINC000042443858 369220854 /nfs/dbraw/zinc/22/08/54/369220854.db2.gz JAHATYTWSDZTRG-UHFFFAOYSA-N 1 1 286.784 3.187 20 5 CGBDMO CCC[C@H]([NH2+][C@@H](C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553716 369409006 /nfs/dbraw/zinc/40/90/06/369409006.db2.gz IILYKMLIQFPNSO-BBRMVZONSA-N 1 1 293.411 3.366 20 5 CGBDMO Cc1c(C[NH2+]C(C)(C)c2nccs2)cccc1[N+](=O)[O-] ZINC000118848221 370628888 /nfs/dbraw/zinc/62/88/88/370628888.db2.gz NSYKQFMLSGRBPU-UHFFFAOYSA-N 1 1 291.376 3.385 20 5 CGBDMO Cc1ccc[nH+]c1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000130950793 371071322 /nfs/dbraw/zinc/07/13/22/371071322.db2.gz PXQWUDSBUWDUIN-VMPITWQZSA-N 1 1 269.304 3.424 20 5 CGBDMO CC[C@@H](NC[C@@H](C)[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000131049159 371079929 /nfs/dbraw/zinc/07/99/29/371079929.db2.gz IUKYHCMTPVARMT-MLGOLLRUSA-N 1 1 291.395 3.118 20 5 CGBDMO CC[C@@H](NC[C@@H](C)[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000131049159 371079933 /nfs/dbraw/zinc/07/99/33/371079933.db2.gz IUKYHCMTPVARMT-MLGOLLRUSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@H](NCC[N@@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000156638391 371989750 /nfs/dbraw/zinc/98/97/50/371989750.db2.gz OADAVMUTGQBQLI-KGLIPLIRSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@H](NCC[N@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000156638391 371989755 /nfs/dbraw/zinc/98/97/55/371989755.db2.gz OADAVMUTGQBQLI-KGLIPLIRSA-N 1 1 291.395 3.120 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccnc2)C2CC2)cc1 ZINC000162339675 372389181 /nfs/dbraw/zinc/38/91/81/372389181.db2.gz DNWYTXDEHDYIIS-UHFFFAOYSA-N 1 1 283.331 3.154 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000162339675 372389184 /nfs/dbraw/zinc/38/91/84/372389184.db2.gz DNWYTXDEHDYIIS-UHFFFAOYSA-N 1 1 283.331 3.154 20 5 CGBDMO CS[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000294437300 372654809 /nfs/dbraw/zinc/65/48/09/372654809.db2.gz QJPQABHCOTYVQO-JTQLQIEISA-N 1 1 286.784 3.186 20 5 CGBDMO CS[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000294437300 372654814 /nfs/dbraw/zinc/65/48/14/372654814.db2.gz QJPQABHCOTYVQO-JTQLQIEISA-N 1 1 286.784 3.186 20 5 CGBDMO Cn1c2ccccc2[nH+]c1NCCc1ccc([N+](=O)[O-])cc1 ZINC000172156433 372914594 /nfs/dbraw/zinc/91/45/94/372914594.db2.gz TXXXRVCFWVPLCJ-UHFFFAOYSA-N 1 1 296.330 3.136 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444588912 373204161 /nfs/dbraw/zinc/20/41/61/373204161.db2.gz HHYIZVCMTBZNLC-SNVBAGLBSA-N 1 1 276.340 3.092 20 5 CGBDMO C[C@H](C1CCC1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444688866 373236404 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Cc1cccc(NCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000302497199 373882060 /nfs/dbraw/zinc/88/20/60/373882060.db2.gz NAHPYGGVGLSUPW-ZDUSSCGKSA-N 1 1 277.368 3.190 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC000449732812 373857502 /nfs/dbraw/zinc/85/75/02/373857502.db2.gz MUALCIJQNMWEMS-OAHLLOKOSA-N 1 1 292.404 3.314 20 5 CGBDMO C[C@H]1C[C@@H](N(C)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000302793660 373965268 /nfs/dbraw/zinc/96/52/68/373965268.db2.gz ZXHXQYJOGKGTMB-JQWIXIFHSA-N 1 1 297.786 3.167 20 5 CGBDMO COC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000449778420 373906889 /nfs/dbraw/zinc/90/68/89/373906889.db2.gz SFUYSBHSYPQWAW-AWEZNQCLSA-N 1 1 292.379 3.152 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC12CCC2 ZINC000353668468 220241214 /nfs/dbraw/zinc/24/12/14/220241214.db2.gz GGKDJFGVLVJTJS-UTCJRWHESA-N 1 1 258.321 3.236 20 5 CGBDMO CC(C)[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000464770359 374896182 /nfs/dbraw/zinc/89/61/82/374896182.db2.gz JPWIIZFCNGQJJC-HNNXBMFYSA-N 1 1 294.420 3.211 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CC[C@@H]2CCCO2)C2CC2)c1 ZINC000189577653 375415036 /nfs/dbraw/zinc/41/50/36/375415036.db2.gz OHKYKUABYGWWBD-INIZCTEOSA-N 1 1 290.363 3.128 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@@H](C)CC1 ZINC000190698841 375532760 /nfs/dbraw/zinc/53/27/60/375532760.db2.gz SDCOCRBUERIDSK-LBPRGKRZSA-N 1 1 280.393 3.231 20 5 CGBDMO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509122682 375772935 /nfs/dbraw/zinc/77/29/35/375772935.db2.gz LCQLJLZHVBDNGD-LKFCYVNXSA-N 1 1 284.306 3.493 20 5 CGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509122682 375772940 /nfs/dbraw/zinc/77/29/40/375772940.db2.gz LCQLJLZHVBDNGD-LKFCYVNXSA-N 1 1 284.306 3.493 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC000193590323 375896702 /nfs/dbraw/zinc/89/67/02/375896702.db2.gz ZDUNRKXGJHWIRL-UHFFFAOYSA-N 1 1 293.323 3.268 20 5 CGBDMO C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000336726386 375922584 /nfs/dbraw/zinc/92/25/84/375922584.db2.gz YWKPQVMVYLJXRV-UHFFFAOYSA-N 1 1 274.295 3.366 20 5 CGBDMO C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000336726386 375922588 /nfs/dbraw/zinc/92/25/88/375922588.db2.gz YWKPQVMVYLJXRV-UHFFFAOYSA-N 1 1 274.295 3.366 20 5 CGBDMO Cc1cc(NCCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000225707933 376321845 /nfs/dbraw/zinc/32/18/45/376321845.db2.gz SMHQHWHPZBIPSK-UHFFFAOYSA-N 1 1 265.357 3.045 20 5 CGBDMO CO[C@]1(C)CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000230261373 376498395 /nfs/dbraw/zinc/49/83/95/376498395.db2.gz LDMCZINUDFUPGQ-CQSZACIVSA-N 1 1 298.770 3.249 20 5 CGBDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000230261373 376498401 /nfs/dbraw/zinc/49/84/01/376498401.db2.gz LDMCZINUDFUPGQ-CQSZACIVSA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@@H](CNc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000339001441 376620850 /nfs/dbraw/zinc/62/08/50/376620850.db2.gz HQPBHJSCCMYJHM-STQMWFEESA-N 1 1 277.368 3.270 20 5 CGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1F)[N@H+]1CCCC[C@@H]1C ZINC000339004945 376623202 /nfs/dbraw/zinc/62/32/02/376623202.db2.gz VUPQXISTWPCUIU-RYUDHWBXSA-N 1 1 295.358 3.409 20 5 CGBDMO CC1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000543856264 376685218 /nfs/dbraw/zinc/68/52/18/376685218.db2.gz BPWUVDQJCOBQOS-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO Cc1cccc(CC[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000563052529 377395169 /nfs/dbraw/zinc/39/51/69/377395169.db2.gz MEBLLYDUQGMJMU-UHFFFAOYSA-N 1 1 299.374 3.015 20 5 CGBDMO CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000252443465 377622190 /nfs/dbraw/zinc/62/21/90/377622190.db2.gz ZIUXBIXWDROZNT-TYNCELHUSA-N 1 1 278.352 3.155 20 5 CGBDMO CC[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000252443465 377622194 /nfs/dbraw/zinc/62/21/94/377622194.db2.gz ZIUXBIXWDROZNT-TYNCELHUSA-N 1 1 278.352 3.155 20 5 CGBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC1CC1 ZINC000255067393 377728831 /nfs/dbraw/zinc/72/88/31/377728831.db2.gz UXYBPNONSXBESX-XQRVVYSFSA-N 1 1 260.337 3.340 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]1C(C)C ZINC000342862693 377844722 /nfs/dbraw/zinc/84/47/22/377844722.db2.gz UQLISEGXMAHGHW-CQSZACIVSA-N 1 1 278.352 3.224 20 5 CGBDMO CO[C@]1(C)CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000279628684 379475055 /nfs/dbraw/zinc/47/50/55/379475055.db2.gz HPTDHONSAYEASS-CDVVCGDMSA-N 1 1 290.363 3.109 20 5 CGBDMO COc1cc(C[N@H+]2C[C@@H](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352541265 379848727 /nfs/dbraw/zinc/84/87/27/379848727.db2.gz VTLIPFQDELSBQF-NWDGAFQWSA-N 1 1 278.352 3.224 20 5 CGBDMO CC(C)SCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352559131 379859690 /nfs/dbraw/zinc/85/96/90/379859690.db2.gz BIPGXMMKDVFEGZ-UHFFFAOYSA-N 1 1 282.409 3.211 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]2Cc2ccccc2)cs1 ZINC000353997023 380270846 /nfs/dbraw/zinc/27/08/46/380270846.db2.gz HFEAOJHAJVACEL-AWEZNQCLSA-N 1 1 288.372 3.473 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]2Cc2ccccc2)cs1 ZINC000353997023 380270849 /nfs/dbraw/zinc/27/08/49/380270849.db2.gz HFEAOJHAJVACEL-AWEZNQCLSA-N 1 1 288.372 3.473 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279319217 194383516 /nfs/dbraw/zinc/38/35/16/194383516.db2.gz NWGJAMXSCBEDNU-WQGACYEGSA-N 1 1 290.363 3.155 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279319217 194383518 /nfs/dbraw/zinc/38/35/18/194383518.db2.gz NWGJAMXSCBEDNU-WQGACYEGSA-N 1 1 290.363 3.155 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000357321732 381103207 /nfs/dbraw/zinc/10/32/07/381103207.db2.gz GPZRRPNJFFRVTM-GFCCVEGCSA-N 1 1 278.352 3.225 20 5 CGBDMO CC[C@H]1CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000361616761 381841006 /nfs/dbraw/zinc/84/10/06/381841006.db2.gz PJCAIBZEMBVWQE-NSHDSACASA-N 1 1 296.342 3.365 20 5 CGBDMO Cc1cccc(C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000353744460 220294629 /nfs/dbraw/zinc/29/46/29/220294629.db2.gz FPSLJHVPXYQYTN-TWGQIWQCSA-N 1 1 297.358 3.443 20 5 CGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000353775813 220321807 /nfs/dbraw/zinc/32/18/07/220321807.db2.gz PDFRGWMLHXYCFD-LSDHHAIUSA-N 1 1 292.379 3.230 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361263781 392271396 /nfs/dbraw/zinc/27/13/96/392271396.db2.gz XZBTXNWPTZEEFO-PHIMTYICSA-N 1 1 288.351 3.234 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2C2CC2)cc1F ZINC000374867138 392710683 /nfs/dbraw/zinc/71/06/83/392710683.db2.gz BPIZUKGHTIHVIW-ZDUSSCGKSA-N 1 1 264.300 3.108 20 5 CGBDMO C[C@@H]1CC[C@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000190916991 392817735 /nfs/dbraw/zinc/81/77/35/392817735.db2.gz JPBUFXSTLNPCEI-IUODEOHRSA-N 1 1 290.363 3.127 20 5 CGBDMO C[C@@H]1CC[C@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000190916991 392817738 /nfs/dbraw/zinc/81/77/38/392817738.db2.gz JPBUFXSTLNPCEI-IUODEOHRSA-N 1 1 290.363 3.127 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000547947905 393160826 /nfs/dbraw/zinc/16/08/26/393160826.db2.gz SHAGGWIDSWPLNJ-WBMJQRKESA-N 1 1 290.363 3.075 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000547947905 393160832 /nfs/dbraw/zinc/16/08/32/393160832.db2.gz SHAGGWIDSWPLNJ-WBMJQRKESA-N 1 1 290.363 3.075 20 5 CGBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000471560944 393284424 /nfs/dbraw/zinc/28/44/24/393284424.db2.gz UJVYKFGJOUEAFV-ZANVPECISA-N 1 1 295.770 3.143 20 5 CGBDMO C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000488357943 393496126 /nfs/dbraw/zinc/49/61/26/393496126.db2.gz QMLFCWDNTDWTCY-DGCLKSJQSA-N 1 1 260.337 3.215 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C2CC2)C1 ZINC000491159503 393669631 /nfs/dbraw/zinc/66/96/31/393669631.db2.gz DPBSIDODIBFCHC-YPMHNXCESA-N 1 1 260.337 3.388 20 5 CGBDMO C[C@H](c1ccco1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000069066614 165049587 /nfs/dbraw/zinc/04/95/87/165049587.db2.gz CAJNMLDRLNPWIA-LLVKDONJSA-N 1 1 260.293 3.381 20 5 CGBDMO C[C@H](c1ccco1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000069066614 165049590 /nfs/dbraw/zinc/04/95/90/165049590.db2.gz CAJNMLDRLNPWIA-LLVKDONJSA-N 1 1 260.293 3.381 20 5 CGBDMO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000020526155 171238878 /nfs/dbraw/zinc/23/88/78/171238878.db2.gz DQMAMLFSBSEYSU-NEPJUHHUSA-N 1 1 271.320 3.402 20 5 CGBDMO Cc1csc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285440124 196284798 /nfs/dbraw/zinc/28/47/98/196284798.db2.gz XMBLFCGAPJEDTA-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO Cc1csc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285440124 196284800 /nfs/dbraw/zinc/28/48/00/196284800.db2.gz XMBLFCGAPJEDTA-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCSC1 ZINC000037174780 173009631 /nfs/dbraw/zinc/00/96/31/173009631.db2.gz AEBLINGMDABPNK-NSHDSACASA-N 1 1 286.784 3.186 20 5 CGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCSC1 ZINC000037174780 173009632 /nfs/dbraw/zinc/00/96/32/173009632.db2.gz AEBLINGMDABPNK-NSHDSACASA-N 1 1 286.784 3.186 20 5 CGBDMO Cc1[nH+]cn(Cc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000134693283 287451953 /nfs/dbraw/zinc/45/19/53/287451953.db2.gz IMVCQZRZPCIYKE-UHFFFAOYSA-N 1 1 265.700 3.110 20 5 CGBDMO C[C@@H]1CSCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190842236 270073849 /nfs/dbraw/zinc/07/38/49/270073849.db2.gz JWDKPDDNPJFDLQ-BPJJOFIESA-N 1 1 292.404 3.293 20 5 CGBDMO COc1cc(C[N@H+]2CCCC2(C)C)c([N+](=O)[O-])cc1F ZINC000184198952 274093785 /nfs/dbraw/zinc/09/37/85/274093785.db2.gz JYHWPMNAHOMGCX-UHFFFAOYSA-N 1 1 282.315 3.117 20 5 CGBDMO CSC1(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000347594613 274174059 /nfs/dbraw/zinc/17/40/59/274174059.db2.gz TZCHINRKWSYWCG-UHFFFAOYSA-N 1 1 292.404 3.455 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000429164532 274356239 /nfs/dbraw/zinc/35/62/39/274356239.db2.gz CYJYHRHENZRIOA-CYBMUJFWSA-N 1 1 298.342 3.378 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000429164532 274356240 /nfs/dbraw/zinc/35/62/40/274356240.db2.gz CYJYHRHENZRIOA-CYBMUJFWSA-N 1 1 298.342 3.378 20 5 CGBDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000348250415 279098247 /nfs/dbraw/zinc/09/82/47/279098247.db2.gz YWNPMGCBRHQUBY-MWLCHTKSSA-N 1 1 288.269 3.368 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC1(C)C ZINC000526063493 288148721 /nfs/dbraw/zinc/14/87/21/288148721.db2.gz XPGNCLIRAQAEAG-FMIVXFBMSA-N 1 1 260.337 3.482 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC1(C)C ZINC000526063494 288148751 /nfs/dbraw/zinc/14/87/51/288148751.db2.gz XPGNCLIRAQAEAG-XFXZXTDPSA-N 1 1 260.337 3.482 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCOC2(CCC2)C1 ZINC000182976184 281020065 /nfs/dbraw/zinc/02/00/65/281020065.db2.gz ZRGQLZIUBNBCHR-CYBMUJFWSA-N 1 1 290.363 3.219 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCOC2(CCC2)C1 ZINC000182976184 281020068 /nfs/dbraw/zinc/02/00/68/281020068.db2.gz ZRGQLZIUBNBCHR-CYBMUJFWSA-N 1 1 290.363 3.219 20 5 CGBDMO Cc1cc[nH+]c(N[C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449088438 281473087 /nfs/dbraw/zinc/47/30/87/281473087.db2.gz IJIPAJNJFINMLC-GFCCVEGCSA-N 1 1 271.320 3.341 20 5 CGBDMO C[C@@H]([N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000532489071 288364851 /nfs/dbraw/zinc/36/48/51/288364851.db2.gz IZMPOUXWJUICEU-GFCCVEGCSA-N 1 1 280.368 3.340 20 5 CGBDMO COc1ccc(C[N@@H+]([C@H](C)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000047908998 327373920 /nfs/dbraw/zinc/37/39/20/327373920.db2.gz IHAXLFOIHUJBDH-LLVKDONJSA-N 1 1 290.363 3.366 20 5 CGBDMO C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCS1 ZINC000426368944 534021793 /nfs/dbraw/zinc/02/17/93/534021793.db2.gz CKJCXPIZGTUHMZ-RYWCDNDXSA-N 1 1 292.404 3.435 20 5 CGBDMO CC[N@@H+](CCN[C@H](C)c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000156606475 521084763 /nfs/dbraw/zinc/08/47/63/521084763.db2.gz FYWROZPWNVAQQL-CQSZACIVSA-N 1 1 293.411 3.284 20 5 CGBDMO CCN(CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000156606475 521084775 /nfs/dbraw/zinc/08/47/75/521084775.db2.gz FYWROZPWNVAQQL-CQSZACIVSA-N 1 1 293.411 3.284 20 5 CGBDMO CC[C@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000111254648 523869660 /nfs/dbraw/zinc/86/96/60/523869660.db2.gz HMIHGSCPDHONHN-NSHDSACASA-N 1 1 266.341 3.081 20 5 CGBDMO CC(C)c1ccc(C[NH+]2CC3(CC3)C2)cc1[N+](=O)[O-] ZINC000449369791 528092644 /nfs/dbraw/zinc/09/26/44/528092644.db2.gz GBFSFJXMVSVHBE-UHFFFAOYSA-N 1 1 260.337 3.314 20 5 CGBDMO CC(C)[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000446724437 528698096 /nfs/dbraw/zinc/69/80/96/528698096.db2.gz DBXYOPGBJYHEAO-CQSZACIVSA-N 1 1 292.379 3.342 20 5 CGBDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000738054996 572364265 /nfs/dbraw/zinc/36/42/65/572364265.db2.gz LUFVIRUHRHEIQD-BXUZGUMPSA-N 1 1 294.399 3.266 20 5 CGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000745948102 572840689 /nfs/dbraw/zinc/84/06/89/572840689.db2.gz BKLUEQNJXIKMDG-MFKMUULPSA-N 1 1 266.316 3.354 20 5 CGBDMO CC1(C)C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000746670403 572890817 /nfs/dbraw/zinc/89/08/17/572890817.db2.gz GPJGZCKOMAQPDP-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000746670403 572890821 /nfs/dbraw/zinc/89/08/21/572890821.db2.gz GPJGZCKOMAQPDP-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[N@@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])[C@H](C)C(C)C ZINC000891822431 618318661 /nfs/dbraw/zinc/31/86/61/618318661.db2.gz AEHXEXBTQNDNJP-LLVKDONJSA-N 1 1 296.367 3.175 20 5 CGBDMO CCCC[N@@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000103457698 618959558 /nfs/dbraw/zinc/95/95/58/618959558.db2.gz CTRRJIWWAAHSGO-UHFFFAOYSA-N 1 1 288.351 3.148 20 5 CGBDMO C[C@H]1CCCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000775732244 619099555 /nfs/dbraw/zinc/09/95/55/619099555.db2.gz QNGQEYOKHUFDIY-NSHDSACASA-N 1 1 266.316 3.356 20 5 CGBDMO CCc1onc(C)c1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000927141400 620600650 /nfs/dbraw/zinc/60/06/50/620600650.db2.gz RNPRFNRHVSGHDX-SNVBAGLBSA-N 1 1 289.335 3.304 20 5 CGBDMO CCO[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000042422102 620855708 /nfs/dbraw/zinc/85/57/08/620855708.db2.gz BOBNCUPUIDNOTJ-GFCCVEGCSA-N 1 1 298.770 3.249 20 5 CGBDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000042422102 620855710 /nfs/dbraw/zinc/85/57/10/620855710.db2.gz BOBNCUPUIDNOTJ-GFCCVEGCSA-N 1 1 298.770 3.249 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1F ZINC000162592242 626077786 /nfs/dbraw/zinc/07/77/86/626077786.db2.gz OCIPJIIJVYJTQK-JSGCOSHPSA-N 1 1 278.327 3.498 20 5 CGBDMO CC[N@@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000761290448 627030474 /nfs/dbraw/zinc/03/04/74/627030474.db2.gz KKBDXKFSLHZZLP-UHFFFAOYSA-N 1 1 288.351 3.085 20 5 CGBDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000769035045 627519843 /nfs/dbraw/zinc/51/98/43/627519843.db2.gz VDASRWLQFSBPCS-UHFFFAOYSA-N 1 1 299.374 3.363 20 5 CGBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774905715 628048446 /nfs/dbraw/zinc/04/84/46/628048446.db2.gz RCGYCIDLEYPVKK-JQWIXIFHSA-N 1 1 293.323 3.123 20 5 CGBDMO CC[C@H]1CCCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585573 628221382 /nfs/dbraw/zinc/22/13/82/628221382.db2.gz XBQXAFTXLLFKNO-GOEBONIOSA-N 1 1 292.379 3.283 20 5 CGBDMO CCCC1CCC([N@@H+](C)Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000790480574 629212904 /nfs/dbraw/zinc/21/29/04/629212904.db2.gz RWKVHQHTLDTUOX-UHFFFAOYSA-N 1 1 294.399 3.348 20 5 CGBDMO C[N@@H+](CCc1cccs1)CCc1ccccc1[N+](=O)[O-] ZINC000796113906 629745621 /nfs/dbraw/zinc/74/56/21/629745621.db2.gz JATWYDLHGDUOJU-UHFFFAOYSA-N 1 1 290.388 3.373 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(F)(F)CC1 ZINC000796539845 629797919 /nfs/dbraw/zinc/79/79/19/629797919.db2.gz QAWORSXONFMSHG-JTQLQIEISA-N 1 1 270.279 3.387 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](c3ccccn3)C2)cc1 ZINC000799193663 630157533 /nfs/dbraw/zinc/15/75/33/630157533.db2.gz MUXSHNOOSVORSL-HNNXBMFYSA-N 1 1 297.358 3.022 20 5 CGBDMO C[N@@H+](CCC(=O)C(C)(C)C)CCc1cccc([N+](=O)[O-])c1 ZINC000801601762 630347745 /nfs/dbraw/zinc/34/77/45/630347745.db2.gz NHPLZNVFZDIEMR-UHFFFAOYSA-N 1 1 292.379 3.074 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H](C)OC ZINC000812807274 631317429 /nfs/dbraw/zinc/31/74/29/631317429.db2.gz HXBOXWLIFOEDLO-JTQLQIEISA-N 1 1 286.759 3.105 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C)[C@H]1C ZINC000816646218 632031583 /nfs/dbraw/zinc/03/15/83/632031583.db2.gz AEEICMSNFGJFFA-ACMJRCFVSA-N 1 1 260.337 3.338 20 5 CGBDMO C[C@@H]([NH2+]CCOC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872055969 633979079 /nfs/dbraw/zinc/97/90/79/633979079.db2.gz NCMYYRPYAAYTCX-SNVBAGLBSA-N 1 1 284.331 3.200 20 5 CGBDMO Cc1ncc([C@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])s1 ZINC000879251940 635736452 /nfs/dbraw/zinc/73/64/52/635736452.db2.gz UYOQLEQPBQSJAF-QMMMGPOBSA-N 1 1 295.339 3.350 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](c3nccs3)C2)c1 ZINC000880315379 635972888 /nfs/dbraw/zinc/97/28/88/635972888.db2.gz LNJDYBHHFUAYJT-LBPRGKRZSA-N 1 1 289.360 3.041 20 5 CGBDMO CC(C)c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000846112677 636145578 /nfs/dbraw/zinc/14/55/78/636145578.db2.gz WNTSCTBWVUZMDK-BETUJISGSA-N 1 1 296.317 3.415 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000846112677 636145582 /nfs/dbraw/zinc/14/55/82/636145582.db2.gz WNTSCTBWVUZMDK-BETUJISGSA-N 1 1 296.317 3.415 20 5 CGBDMO O=[N+]([O-])c1c(F)cccc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848784243 636657526 /nfs/dbraw/zinc/65/75/26/636657526.db2.gz VVWDESJEOPDSCV-GXTWGEPZSA-N 1 1 293.342 3.163 20 5 CGBDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886012621 637361439 /nfs/dbraw/zinc/36/14/39/637361439.db2.gz LHVUNJKERTWODJ-XJKSGUPXSA-N 1 1 297.358 3.368 20 5 CGBDMO CC(C)(C)C1=CC[N@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886090395 637406662 /nfs/dbraw/zinc/40/66/62/637406662.db2.gz WTJAPPCMJRAIFM-UHFFFAOYSA-N 1 1 275.352 3.168 20 5 CGBDMO CC(C)(C)C1=CC[N@@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886090395 637406667 /nfs/dbraw/zinc/40/66/67/637406667.db2.gz WTJAPPCMJRAIFM-UHFFFAOYSA-N 1 1 275.352 3.168 20 5 CGBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])CC1(c2ccccc2)CC1 ZINC000886157640 637440571 /nfs/dbraw/zinc/44/05/71/637440571.db2.gz HMCNZSCTFBAQKI-UHFFFAOYSA-N 1 1 297.358 3.153 20 5 CGBDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886158358 637441241 /nfs/dbraw/zinc/44/12/41/637441241.db2.gz XSGVJQXORPPORM-DGCLKSJQSA-N 1 1 263.341 3.000 20 5 CGBDMO CCc1onc(C)c1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000927143145 638847201 /nfs/dbraw/zinc/84/72/01/638847201.db2.gz YGKMNPBTDHHNKI-SNVBAGLBSA-N 1 1 289.335 3.304 20 5 CGBDMO Cc1nnsc1[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000930595649 639034095 /nfs/dbraw/zinc/03/40/95/639034095.db2.gz VJXRJBIUPYCHIQ-DTWKUNHWSA-N 1 1 292.364 3.167 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+](C1CC1)C1CC1 ZINC000859623187 639175990 /nfs/dbraw/zinc/17/59/90/639175990.db2.gz LMDOBIFDXKDTEC-UHFFFAOYSA-N 1 1 266.728 3.375 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC12CC2 ZINC001254550758 806447477 /nfs/dbraw/zinc/44/74/77/806447477.db2.gz QKVLCMVJOHGHQN-GFCCVEGCSA-N 1 1 260.337 3.154 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cncs1 ZINC001254564925 806451242 /nfs/dbraw/zinc/45/12/42/806451242.db2.gz NPHLMAOVCMFYFD-LLVKDONJSA-N 1 1 291.376 3.114 20 5 CGBDMO CC[C@@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254602775 806458198 /nfs/dbraw/zinc/45/81/98/806458198.db2.gz ISXPTUYIZSPJOG-WBMJQRKESA-N 1 1 274.364 3.184 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+](Cc1ccco1)C1CC1)C2 ZINC001254608069 806459823 /nfs/dbraw/zinc/45/98/23/806459823.db2.gz OVEARGOLHQDAEI-MRXNPFEDSA-N 1 1 298.342 3.320 20 5 CGBDMO CC(C)[C@H]1CCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254609841 806461323 /nfs/dbraw/zinc/46/13/23/806461323.db2.gz ZCHBZXKZTSDQDT-JKSUJKDBSA-N 1 1 274.364 3.182 20 5 CGBDMO CC(C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037108514 798858789 /nfs/dbraw/zinc/85/87/89/798858789.db2.gz ISVRCBWTLZGYAE-UHFFFAOYSA-N 1 1 256.733 3.336 20 5 CGBDMO CCCC[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037403782 798867459 /nfs/dbraw/zinc/86/74/59/798867459.db2.gz KUXGATUTLOTRNS-UHFFFAOYSA-N 1 1 256.733 3.480 20 5 CGBDMO CS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000707697911 799978199 /nfs/dbraw/zinc/97/81/99/799978199.db2.gz UDQCNYXDXZSZRK-NEPJUHHUSA-N 1 1 298.383 3.450 20 5 CGBDMO CCC[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169030095 807555672 /nfs/dbraw/zinc/55/56/72/807555672.db2.gz WCMAZWKAMHPZOW-MGPQQGTHSA-N 1 1 254.374 3.086 20 5 CGBDMO C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)Cc1ccccc1 ZINC001169049148 807558486 /nfs/dbraw/zinc/55/84/86/807558486.db2.gz WAGCHPZGIIBSKD-HZPDHXFCSA-N 1 1 290.407 3.385 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H]1CCCCO1 ZINC001173226112 808541613 /nfs/dbraw/zinc/54/16/13/808541613.db2.gz HQUHOGLQMFGUKT-CZUORRHYSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC(F)(F)C1 ZINC001173224716 808541777 /nfs/dbraw/zinc/54/17/77/808541777.db2.gz GULAOJQDXVNQOT-SNVBAGLBSA-N 1 1 284.306 3.255 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cccnc1 ZINC001173228969 808542784 /nfs/dbraw/zinc/54/27/84/808542784.db2.gz OVLVQUGTMMFOPH-CYBMUJFWSA-N 1 1 285.347 3.053 20 5 CGBDMO Cc1ccc(Nc2cnc3c(c2)C[N@@H+](C)CC3)cc1[N+](=O)[O-] ZINC001213661493 815319636 /nfs/dbraw/zinc/31/96/36/815319636.db2.gz KBWQNXCDZRUPCA-UHFFFAOYSA-N 1 1 298.346 3.030 20 5 CGBDMO Cc1cc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC001186872726 810368588 /nfs/dbraw/zinc/36/85/88/810368588.db2.gz PMHLBQYIGYWIPO-HOCLYGCPSA-N 1 1 289.379 3.332 20 5 CGBDMO C[N@H+]1CC[C@@H](Oc2ccc3c(c2)oc2ccccc2c3=O)C1 ZINC001228181011 817832718 /nfs/dbraw/zinc/83/27/18/817832718.db2.gz XXXNDVJVYPCWEB-CYBMUJFWSA-N 1 1 295.338 3.029 20 5 CGBDMO c1cnc2c(c1)ccc1ccc(C[N@H+]3C[C@@H]4C[C@@H]4C3)nc12 ZINC001232218885 818283261 /nfs/dbraw/zinc/28/32/61/818283261.db2.gz OAJDTXYKMKRBSN-GASCZTMLSA-N 1 1 275.355 3.235 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)C[C@H]2CC(C)C)c1 ZINC001458644693 937470977 /nfs/dbraw/zinc/47/09/77/937470977.db2.gz JYLVHVMLBNEGAH-CQSZACIVSA-N 1 1 291.395 3.070 20 5 CGBDMO CC[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC001459983912 937509774 /nfs/dbraw/zinc/50/97/74/937509774.db2.gz LVMSSBBQJGLLOE-WDEREUQCSA-N 1 1 288.351 3.092 20 5 CGBDMO CC[N@H+]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC001307137846 932768907 /nfs/dbraw/zinc/76/89/07/932768907.db2.gz SOCKKMAEFMMWKO-LLVKDONJSA-N 1 1 297.786 3.169 20 5 CGBDMO C[C@@H]1CCC(C)(C)[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001307834871 933006004 /nfs/dbraw/zinc/00/60/04/933006004.db2.gz POOAXFKZILREJD-GFCCVEGCSA-N 1 1 262.353 3.400 20 5 CGBDMO CNc1ccccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001308629496 933147153 /nfs/dbraw/zinc/14/71/53/933147153.db2.gz FFORNSHZGRSOGC-UHFFFAOYSA-N 1 1 297.358 3.195 20 5 CGBDMO CNc1ccccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001308629496 933147157 /nfs/dbraw/zinc/14/71/57/933147157.db2.gz FFORNSHZGRSOGC-UHFFFAOYSA-N 1 1 297.358 3.195 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001324061836 934455000 /nfs/dbraw/zinc/45/50/00/934455000.db2.gz UBLNIBWZSKKANJ-DVOMOZLQSA-N 1 1 290.363 3.157 20 5 CGBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC001473675255 937817062 /nfs/dbraw/zinc/81/70/62/937817062.db2.gz LXKCBNMLKVCNMS-LLVKDONJSA-N 1 1 266.316 3.212 20 5 CGBDMO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC001335471839 936148093 /nfs/dbraw/zinc/14/80/93/936148093.db2.gz RXUAKXXCYJVKCY-NSHDSACASA-N 1 1 290.319 3.356 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccnc(F)c2)c(Cl)c1 ZINC001474651525 937873185 /nfs/dbraw/zinc/87/31/85/937873185.db2.gz RVIZPHYNTFHDPV-UHFFFAOYSA-N 1 1 295.701 3.072 20 5 CGBDMO CC[C@@]1(C)CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001559651869 938231596 /nfs/dbraw/zinc/23/15/96/938231596.db2.gz WIUXPKLCOAHCMM-INIZCTEOSA-N 1 1 292.379 3.486 20 5 CGBDMO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC001559675491 938232657 /nfs/dbraw/zinc/23/26/57/938232657.db2.gz JWMBONJKIPBSBZ-ZDUSSCGKSA-N 1 1 292.379 3.342 20 5 CGBDMO COc1ccc(C[N@H+]2CC[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000591061811 346897105 /nfs/dbraw/zinc/89/71/05/346897105.db2.gz JFNXLOGSXDDZAL-AWEZNQCLSA-N 1 1 290.363 3.225 20 5 CGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000426567527 529820195 /nfs/dbraw/zinc/82/01/95/529820195.db2.gz WJBQWLZUIFLFGN-IZPAUZPXSA-N 1 1 260.337 3.338 20 5 CGBDMO COc1cc(C[N@@H+]2CCC23CCCC3)c([N+](=O)[O-])cc1F ZINC000593038096 347030083 /nfs/dbraw/zinc/03/00/83/347030083.db2.gz HZQIMGWDAVFJHT-UHFFFAOYSA-N 1 1 294.326 3.261 20 5 CGBDMO COc1cc(C[N@H+]2CCC23CCCC3)c([N+](=O)[O-])cc1F ZINC000593038096 347030085 /nfs/dbraw/zinc/03/00/85/347030085.db2.gz HZQIMGWDAVFJHT-UHFFFAOYSA-N 1 1 294.326 3.261 20 5 CGBDMO COc1ccc(C[N@H+]2CCC23CCCC3)cc1[N+](=O)[O-] ZINC000593039929 347030973 /nfs/dbraw/zinc/03/09/73/347030973.db2.gz SEKWLPKPTRPEKG-UHFFFAOYSA-N 1 1 276.336 3.122 20 5 CGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000051400769 345089001 /nfs/dbraw/zinc/08/90/01/345089001.db2.gz UFDHLFOSDGLESZ-UHFFFAOYSA-N 1 1 292.360 3.167 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000051532850 345090783 /nfs/dbraw/zinc/09/07/83/345090783.db2.gz HSPMUIOAVLSDCD-CYBMUJFWSA-N 1 1 278.352 3.096 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCCCC1 ZINC000061757194 345232222 /nfs/dbraw/zinc/23/22/22/345232222.db2.gz JPSCMPJCPYZIMW-UHFFFAOYSA-N 1 1 278.352 3.368 20 5 CGBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000589563026 346800540 /nfs/dbraw/zinc/80/05/40/346800540.db2.gz YNJWFFRKHRHPSY-UHFFFAOYSA-N 1 1 283.397 3.333 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000594597645 347199530 /nfs/dbraw/zinc/19/95/30/347199530.db2.gz DHSPMVYRWPMYGV-LSDHHAIUSA-N 1 1 293.342 3.163 20 5 CGBDMO CC[N@H+](CCc1cccs1)Cc1onc(C)c1[N+](=O)[O-] ZINC000595296394 347288583 /nfs/dbraw/zinc/28/85/83/347288583.db2.gz CMOPRGALLXLWBP-UHFFFAOYSA-N 1 1 295.364 3.017 20 5 CGBDMO CC[N@@H+](CCc1cccs1)Cc1onc(C)c1[N+](=O)[O-] ZINC000595296394 347288587 /nfs/dbraw/zinc/28/85/87/347288587.db2.gz CMOPRGALLXLWBP-UHFFFAOYSA-N 1 1 295.364 3.017 20 5 CGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595330975 347293212 /nfs/dbraw/zinc/29/32/12/347293212.db2.gz GPSSAVCHZLJOCD-GXFFZTMASA-N 1 1 266.316 3.354 20 5 CGBDMO Cc1noc(C[NH2+][C@@H](c2cccs2)C2CC2)c1[N+](=O)[O-] ZINC000595411761 347299278 /nfs/dbraw/zinc/29/92/78/347299278.db2.gz SYBTVZHUNAIFRL-GFCCVEGCSA-N 1 1 293.348 3.194 20 5 CGBDMO C[C@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595057519 347272884 /nfs/dbraw/zinc/27/28/84/347272884.db2.gz YRDDBPUYUFBJIL-GXTWGEPZSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595057519 347272887 /nfs/dbraw/zinc/27/28/87/347272887.db2.gz YRDDBPUYUFBJIL-GXTWGEPZSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@H]1CCSCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595462535 347307800 /nfs/dbraw/zinc/30/78/00/347307800.db2.gz UXYMGRRCHOIIFT-JTQLQIEISA-N 1 1 284.356 3.061 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595810369 347357472 /nfs/dbraw/zinc/35/74/72/347357472.db2.gz XBAIZXWQJFBQPM-STQMWFEESA-N 1 1 290.363 3.224 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000596308741 347414147 /nfs/dbraw/zinc/41/41/47/347414147.db2.gz MRWMDCOKHKMXII-JTQLQIEISA-N 1 1 281.331 3.019 20 5 CGBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000595857932 347368263 /nfs/dbraw/zinc/36/82/63/347368263.db2.gz OIVGYLAADDKHCK-VGPLMAKISA-N 1 1 278.327 3.497 20 5 CGBDMO Cc1noc(C[N@H+]2CCCC[C@H]2CC2CCC2)c1[N+](=O)[O-] ZINC000595870857 347368728 /nfs/dbraw/zinc/36/87/28/347368728.db2.gz KKVIENWLQHUMSD-ZDUSSCGKSA-N 1 1 293.367 3.436 20 5 CGBDMO O=[N+]([O-])c1ccsc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599166388 347722534 /nfs/dbraw/zinc/72/25/34/347722534.db2.gz UYVOULNZFBPRFS-LLVKDONJSA-N 1 1 281.381 3.085 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)C1(F)F ZINC000599512394 347749254 /nfs/dbraw/zinc/74/92/54/347749254.db2.gz JHUHKYOTRGDMNN-PHIMTYICSA-N 1 1 284.306 3.318 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)c1 ZINC000600214173 347794811 /nfs/dbraw/zinc/79/48/11/347794811.db2.gz MMORSLJNGRZPAR-HNNXBMFYSA-N 1 1 298.342 3.290 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@]1(C)CCCS1 ZINC000600155088 347785317 /nfs/dbraw/zinc/78/53/17/347785317.db2.gz DAUGEPRWUYAJIR-OAHLLOKOSA-N 1 1 294.420 3.355 20 5 CGBDMO CC[C@H](C)[C@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602777609 348027465 /nfs/dbraw/zinc/02/74/65/348027465.db2.gz HLVGSNWSYQCOCN-GXTWGEPZSA-N 1 1 294.399 3.000 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000602855835 348037465 /nfs/dbraw/zinc/03/74/65/348037465.db2.gz PRCJVSAYHSMLSO-INIZCTEOSA-N 1 1 297.358 3.369 20 5 CGBDMO Cc1n[nH]cc1C[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000602945144 348046333 /nfs/dbraw/zinc/04/63/33/348046333.db2.gz XNLSTXNTYJREPP-LBPRGKRZSA-N 1 1 288.351 3.128 20 5 CGBDMO Cc1n[nH]cc1C[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000602945144 348046335 /nfs/dbraw/zinc/04/63/35/348046335.db2.gz XNLSTXNTYJREPP-LBPRGKRZSA-N 1 1 288.351 3.128 20 5 CGBDMO C[C@@H]([N@@H+](C)CCOc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000603873270 348101068 /nfs/dbraw/zinc/10/10/68/348101068.db2.gz GJSYDIDROFUYRM-GFCCVEGCSA-N 1 1 280.368 3.340 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])s1 ZINC000609595612 348348562 /nfs/dbraw/zinc/34/85/62/348348562.db2.gz VSPIQIXVZLJJMA-NSHDSACASA-N 1 1 283.397 3.333 20 5 CGBDMO C[N@H+](Cc1ccsc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000608891162 348333753 /nfs/dbraw/zinc/33/37/53/348333753.db2.gz YFYGYTFUUVTRKU-UHFFFAOYSA-N 1 1 262.334 3.288 20 5 CGBDMO C[N@@H+](Cc1ccsc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000608891162 348333757 /nfs/dbraw/zinc/33/37/57/348333757.db2.gz YFYGYTFUUVTRKU-UHFFFAOYSA-N 1 1 262.334 3.288 20 5 CGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H]3C3CC3)nc2c1 ZINC000610581336 348391371 /nfs/dbraw/zinc/39/13/71/348391371.db2.gz APUSMMZHAPDFRN-ZDUSSCGKSA-N 1 1 287.319 3.110 20 5 CGBDMO Cc1ccc(C[N@@H+]2CC(C)(C)OCC2(C)C)cc1[N+](=O)[O-] ZINC000611272324 348434294 /nfs/dbraw/zinc/43/42/94/348434294.db2.gz WWJNDMPQWVOZHS-UHFFFAOYSA-N 1 1 292.379 3.293 20 5 CGBDMO Cc1ccc(C[N@H+]2CC(C)(C)OCC2(C)C)cc1[N+](=O)[O-] ZINC000611272324 348434295 /nfs/dbraw/zinc/43/42/95/348434295.db2.gz WWJNDMPQWVOZHS-UHFFFAOYSA-N 1 1 292.379 3.293 20 5 CGBDMO Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000611521507 348458945 /nfs/dbraw/zinc/45/89/45/348458945.db2.gz NABOLEAVSJSFTM-VHSXEESVSA-N 1 1 274.324 3.038 20 5 CGBDMO Cc1cn2cc(Nc3ccc([N+](=O)[O-])cc3)ccc2[nH+]1 ZINC000359485649 233323213 /nfs/dbraw/zinc/32/32/13/233323213.db2.gz ZYZIWVHFXFVHSZ-UHFFFAOYSA-N 1 1 268.276 3.295 20 5 CGBDMO Cc1cnc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000134912844 187781708 /nfs/dbraw/zinc/78/17/08/187781708.db2.gz NKMKGCZEGAVOFO-SNVBAGLBSA-N 1 1 277.349 3.211 20 5 CGBDMO CC[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000152661982 188035659 /nfs/dbraw/zinc/03/56/59/188035659.db2.gz BSHJEDMFAUVAAX-AWEZNQCLSA-N 1 1 291.376 3.466 20 5 CGBDMO Cc1n[nH]cc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000154467298 188144496 /nfs/dbraw/zinc/14/44/96/188144496.db2.gz OWSPQJLZILNCMA-UHFFFAOYSA-N 1 1 288.351 3.037 20 5 CGBDMO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)c1 ZINC000424191234 236131515 /nfs/dbraw/zinc/13/15/15/236131515.db2.gz HAXADRQFEIJPKM-CVEARBPZSA-N 1 1 286.306 3.322 20 5 CGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H]3CCC[C@H]32)cc1 ZINC000426475300 236298381 /nfs/dbraw/zinc/29/83/81/236298381.db2.gz XVOKPRMQMJNIMA-CZUORRHYSA-N 1 1 290.363 3.238 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000426768851 236312638 /nfs/dbraw/zinc/31/26/38/236312638.db2.gz CSRHYVODDPZHTH-GASCZTMLSA-N 1 1 274.364 3.259 20 5 CGBDMO Cc1cc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nc(C)[nH+]1 ZINC000301731027 201164201 /nfs/dbraw/zinc/16/42/01/201164201.db2.gz SKQAOWDQYGCLLU-UHFFFAOYSA-N 1 1 298.346 3.171 20 5 CGBDMO Cc1cn2cc(Nc3c(F)cccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000342412679 216344108 /nfs/dbraw/zinc/34/41/08/216344108.db2.gz JJIQFIZGKPWSFS-UHFFFAOYSA-N 1 1 286.266 3.434 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@@H](C)C2(C)CC2)c([N+](=O)[O-])cc1F ZINC000184233735 189380759 /nfs/dbraw/zinc/38/07/59/189380759.db2.gz YZQMMTPOCQHUSM-JTQLQIEISA-N 1 1 296.342 3.363 20 5 CGBDMO CC[N@H+]1CCCC[C@@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000301808232 201209664 /nfs/dbraw/zinc/20/96/64/201209664.db2.gz WWECRHAGOKCAHV-SNVBAGLBSA-N 1 1 299.321 3.159 20 5 CGBDMO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000120508436 370774311 /nfs/dbraw/zinc/77/43/11/370774311.db2.gz QIOQMGRSZYQOII-LBPRGKRZSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000120508436 370774314 /nfs/dbraw/zinc/77/43/14/370774314.db2.gz QIOQMGRSZYQOII-LBPRGKRZSA-N 1 1 271.320 3.183 20 5 CGBDMO CCC[N@H+]1CC[C@H](CNc2c(C)cccc2[N+](=O)[O-])C1 ZINC000120602409 370784185 /nfs/dbraw/zinc/78/41/85/370784185.db2.gz FTXDCJWGZLNSIN-CYBMUJFWSA-N 1 1 277.368 3.047 20 5 CGBDMO CCc1ncc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)o1 ZINC000453355506 240871169 /nfs/dbraw/zinc/87/11/69/240871169.db2.gz DDDHDPXGMQYONB-LLVKDONJSA-N 1 1 289.335 3.304 20 5 CGBDMO Cc1ccc([C@@H](C)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000049574664 369410998 /nfs/dbraw/zinc/41/09/98/369410998.db2.gz XWSNGVOTKGZXFZ-CQSZACIVSA-N 1 1 291.395 3.040 20 5 CGBDMO CC(C)[N@@H+](C)CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000054128146 369495407 /nfs/dbraw/zinc/49/54/07/369495407.db2.gz FXZGIYRPLVYLJJ-UHFFFAOYSA-N 1 1 271.748 3.000 20 5 CGBDMO C[C@H]([N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1)C1(C)CC1 ZINC000276319148 193286335 /nfs/dbraw/zinc/28/63/35/193286335.db2.gz ODCYQECLNPMRPS-JTQLQIEISA-N 1 1 266.316 3.354 20 5 CGBDMO C[N@H+](CCCF)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000136318531 371473188 /nfs/dbraw/zinc/47/31/88/371473188.db2.gz QADDRTRRUFXCCO-UHFFFAOYSA-N 1 1 260.696 3.040 20 5 CGBDMO C[N@@H+](CCCF)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000136318531 371473193 /nfs/dbraw/zinc/47/31/93/371473193.db2.gz QADDRTRRUFXCCO-UHFFFAOYSA-N 1 1 260.696 3.040 20 5 CGBDMO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nn1C ZINC000337363279 214031415 /nfs/dbraw/zinc/03/14/15/214031415.db2.gz AFPXKWXHAJWXPK-NWDGAFQWSA-N 1 1 288.351 3.049 20 5 CGBDMO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCC1(F)F ZINC000289730246 371804516 /nfs/dbraw/zinc/80/45/16/371804516.db2.gz IYSGVQAZAFEGGJ-JTQLQIEISA-N 1 1 270.279 3.072 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCC1(F)F ZINC000289730246 371804520 /nfs/dbraw/zinc/80/45/20/371804520.db2.gz IYSGVQAZAFEGGJ-JTQLQIEISA-N 1 1 270.279 3.072 20 5 CGBDMO CCCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000158173274 372057419 /nfs/dbraw/zinc/05/74/19/372057419.db2.gz OIKJDMTZGHGTRX-UHFFFAOYSA-N 1 1 288.294 3.428 20 5 CGBDMO CC(C)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000291331426 372162140 /nfs/dbraw/zinc/16/21/40/372162140.db2.gz USKXNOZFIQEEFM-KEDPEKRHSA-N 1 1 290.363 3.107 20 5 CGBDMO CC(C)[N@H+]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000344276859 217130571 /nfs/dbraw/zinc/13/05/71/217130571.db2.gz MSZKKNASYZQJRB-CQSZACIVSA-N 1 1 291.395 3.072 20 5 CGBDMO Cc1ccncc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000162778887 372420827 /nfs/dbraw/zinc/42/08/27/372420827.db2.gz RMDMOFPLQHYVGU-UHFFFAOYSA-N 1 1 291.738 3.241 20 5 CGBDMO CC(C)[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000171615966 372795931 /nfs/dbraw/zinc/79/59/31/372795931.db2.gz DVMXXHBVCKRJSX-UHFFFAOYSA-N 1 1 252.289 3.107 20 5 CGBDMO CC(C)[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000171615966 372795936 /nfs/dbraw/zinc/79/59/36/372795936.db2.gz DVMXXHBVCKRJSX-UHFFFAOYSA-N 1 1 252.289 3.107 20 5 CGBDMO COc1ccc(C[N@H+]2CCCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000353499925 220120036 /nfs/dbraw/zinc/12/00/36/220120036.db2.gz FEMHZGVCJDTIHK-GFCCVEGCSA-N 1 1 278.352 3.368 20 5 CGBDMO CO[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000441342766 373002518 /nfs/dbraw/zinc/00/25/18/373002518.db2.gz UGECXUOIXCIXHM-WDEREUQCSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000441342766 373002524 /nfs/dbraw/zinc/00/25/24/373002524.db2.gz UGECXUOIXCIXHM-WDEREUQCSA-N 1 1 298.770 3.248 20 5 CGBDMO CS[C@@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000296428350 373129418 /nfs/dbraw/zinc/12/94/18/373129418.db2.gz VGGKQZHQASHVGQ-GHMZBOCLSA-N 1 1 266.366 3.093 20 5 CGBDMO Cc1cnc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000175980327 373543143 /nfs/dbraw/zinc/54/31/43/373543143.db2.gz YQJYBCGFZBUCRT-UHFFFAOYSA-N 1 1 291.376 3.385 20 5 CGBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000301250713 373713075 /nfs/dbraw/zinc/71/30/75/373713075.db2.gz MPBHZLYRLMOONB-GFCCVEGCSA-N 1 1 281.331 3.020 20 5 CGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000301123418 373670313 /nfs/dbraw/zinc/67/03/13/373670313.db2.gz ZQWJBYDGPIZFEK-QWHCGFSZSA-N 1 1 277.368 3.127 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000301403618 373772657 /nfs/dbraw/zinc/77/26/57/373772657.db2.gz SAQZTNQHZSWYCO-CYBMUJFWSA-N 1 1 275.352 3.024 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000301277341 373725017 /nfs/dbraw/zinc/72/50/17/373725017.db2.gz PAAAHQYVXAQSEQ-LBPRGKRZSA-N 1 1 295.358 3.410 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1 ZINC000301281800 373726784 /nfs/dbraw/zinc/72/67/84/373726784.db2.gz QFEFYUAYBYJZDS-AWEZNQCLSA-N 1 1 277.368 3.271 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC(C)(C)C1 ZINC000183356027 374405167 /nfs/dbraw/zinc/40/51/67/374405167.db2.gz KRPQHLIKJZMROX-UHFFFAOYSA-N 1 1 280.393 3.231 20 5 CGBDMO Cc1c(C[N@H+]2CCS[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000464778024 374896131 /nfs/dbraw/zinc/89/61/31/374896131.db2.gz WSWAHAISBGXQOC-OAHLLOKOSA-N 1 1 294.420 3.477 20 5 CGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1C ZINC000487990743 375292136 /nfs/dbraw/zinc/29/21/36/375292136.db2.gz RVNWHEACMXEXHL-BBRMVZONSA-N 1 1 292.379 3.232 20 5 CGBDMO Cc1ccc(C[N@H+]2CCS[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000190691048 375530682 /nfs/dbraw/zinc/53/06/82/375530682.db2.gz HOKFTDBQZJJKNE-GFCCVEGCSA-N 1 1 280.393 3.231 20 5 CGBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000538936697 376278754 /nfs/dbraw/zinc/27/87/54/376278754.db2.gz IUMVJVSPKBNXIG-ZFWWWQNUSA-N 1 1 291.395 3.212 20 5 CGBDMO CC[C@H]1CC[C@H](C)[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000540054862 376353623 /nfs/dbraw/zinc/35/36/23/376353623.db2.gz CKVAGJMQTHVUMY-STQMWFEESA-N 1 1 278.352 3.237 20 5 CGBDMO CCC[N@@H+](CC)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227891247 376419490 /nfs/dbraw/zinc/41/94/90/376419490.db2.gz UDZHIEQDOUDPDM-UHFFFAOYSA-N 1 1 287.310 3.017 20 5 CGBDMO Cc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000338382207 376358605 /nfs/dbraw/zinc/35/86/05/376358605.db2.gz WOFBOBRQZVWJOH-UHFFFAOYSA-N 1 1 299.374 3.281 20 5 CGBDMO O=[N+]([O-])c1ccc(CNc2[nH]c3ccc(F)cc3[nH+]2)cc1 ZINC000236188527 376661201 /nfs/dbraw/zinc/66/12/01/376661201.db2.gz BQRHXEHJIGAEAL-UHFFFAOYSA-N 1 1 286.266 3.222 20 5 CGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000558602963 377023179 /nfs/dbraw/zinc/02/31/79/377023179.db2.gz AKUWSWGHXFGKOG-NSHDSACASA-N 1 1 283.347 3.266 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000248644658 377373657 /nfs/dbraw/zinc/37/36/57/377373657.db2.gz SBPLQHWBJZXDRS-NEPJUHHUSA-N 1 1 280.393 3.229 20 5 CGBDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000517038791 249256028 /nfs/dbraw/zinc/25/60/28/249256028.db2.gz NHZNXGOYNYMGKZ-OAHLLOKOSA-N 1 1 297.358 3.288 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000574080154 377616621 /nfs/dbraw/zinc/61/66/21/377616621.db2.gz QRNYJQRXOXFBNG-OLZOCXBDSA-N 1 1 290.363 3.299 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000574080154 377616631 /nfs/dbraw/zinc/61/66/31/377616631.db2.gz QRNYJQRXOXFBNG-OLZOCXBDSA-N 1 1 290.363 3.299 20 5 CGBDMO C[N@@H+](CC[C@H]1CCCO1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000342610371 377689236 /nfs/dbraw/zinc/68/92/36/377689236.db2.gz WGIWSNMSZUUJPM-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1C1CCC1 ZINC000343004329 377880784 /nfs/dbraw/zinc/88/07/84/377880784.db2.gz FYQBEPLXSDJBEO-AWEZNQCLSA-N 1 1 290.363 3.238 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000343107472 377904181 /nfs/dbraw/zinc/90/41/81/377904181.db2.gz RBNVBCATUTZHNF-GFCCVEGCSA-N 1 1 293.342 3.163 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](C3CC3)C2)c(F)c1 ZINC000343956374 378143282 /nfs/dbraw/zinc/14/32/82/378143282.db2.gz DHDHCRQJFFHZGK-LBPRGKRZSA-N 1 1 278.327 3.356 20 5 CGBDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000348250414 378864589 /nfs/dbraw/zinc/86/45/89/378864589.db2.gz YWNPMGCBRHQUBY-KOLCDFICSA-N 1 1 288.269 3.368 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](C)(F)C1 ZINC000347390677 218217375 /nfs/dbraw/zinc/21/73/75/218217375.db2.gz SPFCPYFHWDICQS-MFKMUULPSA-N 1 1 252.289 3.090 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](C)(F)C1 ZINC000347390677 218217376 /nfs/dbraw/zinc/21/73/76/218217376.db2.gz SPFCPYFHWDICQS-MFKMUULPSA-N 1 1 252.289 3.090 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000378233004 379792946 /nfs/dbraw/zinc/79/29/46/379792946.db2.gz KKGMTUKAGCOUFY-YUELXQCFSA-N 1 1 290.363 3.014 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCC1CCOCC1 ZINC000268225882 190388335 /nfs/dbraw/zinc/38/83/35/190388335.db2.gz XJYKDEYGNVYREF-ZDUSSCGKSA-N 1 1 292.379 3.404 20 5 CGBDMO CCC[N@H+]1CCC[C@H]1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000353985875 380265326 /nfs/dbraw/zinc/26/53/26/380265326.db2.gz FNTPATXWSGMPGU-CJNGLKHVSA-N 1 1 291.395 3.120 20 5 CGBDMO CCCN1CCC[C@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000353985875 380265332 /nfs/dbraw/zinc/26/53/32/380265332.db2.gz FNTPATXWSGMPGU-CJNGLKHVSA-N 1 1 291.395 3.120 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1nccs1 ZINC000414494730 380270854 /nfs/dbraw/zinc/27/08/54/380270854.db2.gz LOSXFAZCMIWERC-JTQLQIEISA-N 1 1 277.349 3.211 20 5 CGBDMO COCCCC[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000419381201 380823630 /nfs/dbraw/zinc/82/36/30/380823630.db2.gz HZAJKBHPDADKBD-GFCCVEGCSA-N 1 1 266.341 3.014 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCSC[C@H]1C1CCC1 ZINC000419355387 380813665 /nfs/dbraw/zinc/81/36/65/380813665.db2.gz DYPOFYJBFYNTPA-HNNXBMFYSA-N 1 1 292.404 3.312 20 5 CGBDMO C[C@@H](C1CCC1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000357041282 381007498 /nfs/dbraw/zinc/00/74/98/381007498.db2.gz QQSBYPXZWHCODJ-LBPRGKRZSA-N 1 1 262.353 3.258 20 5 CGBDMO CO[C@H](C)C[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000353783031 220327021 /nfs/dbraw/zinc/32/70/21/220327021.db2.gz WXKOEEKNWWRWHV-CYBMUJFWSA-N 1 1 280.368 3.149 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCCCC1 ZINC000163300666 285153551 /nfs/dbraw/zinc/15/35/51/285153551.db2.gz XQMRIMAHIWTLAO-UHFFFAOYSA-N 1 1 254.717 3.234 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000353861964 220373391 /nfs/dbraw/zinc/37/33/91/220373391.db2.gz BGSHNXHAPFVOFY-TXEJJXNPSA-N 1 1 278.352 3.081 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C)C1 ZINC000470176067 533382619 /nfs/dbraw/zinc/38/26/19/533382619.db2.gz HYYKZRYTLOTGQX-OEMOTLHWSA-N 1 1 260.337 3.340 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCS[C@@H](C)CC1 ZINC000192176357 130389284 /nfs/dbraw/zinc/38/92/84/130389284.db2.gz OCHYSKZKPNZHHQ-RYUDHWBXSA-N 1 1 280.393 3.483 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCCCF)C2CC2)cc1 ZINC000285818873 392333649 /nfs/dbraw/zinc/33/36/49/392333649.db2.gz ZRQDYSQMJYRDLL-UHFFFAOYSA-N 1 1 266.316 3.309 20 5 CGBDMO CC(C)CO[C@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000252664211 131136081 /nfs/dbraw/zinc/13/60/81/131136081.db2.gz VZKBJWMQWAGXTC-CJNGLKHVSA-N 1 1 292.379 3.403 20 5 CGBDMO CC1(C)C[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1C1CC1 ZINC000291523942 392463872 /nfs/dbraw/zinc/46/38/72/392463872.db2.gz JKOBZXDMHCVCGG-GFCCVEGCSA-N 1 1 266.366 3.277 20 5 CGBDMO CC1(C)C[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1C1CC1 ZINC000291523942 392463877 /nfs/dbraw/zinc/46/38/77/392463877.db2.gz JKOBZXDMHCVCGG-GFCCVEGCSA-N 1 1 266.366 3.277 20 5 CGBDMO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509656303 392764123 /nfs/dbraw/zinc/76/41/23/392764123.db2.gz XKGGYCVWVABBGL-NXEZZACHSA-N 1 1 284.306 3.493 20 5 CGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509656303 392764127 /nfs/dbraw/zinc/76/41/27/392764127.db2.gz XKGGYCVWVABBGL-NXEZZACHSA-N 1 1 284.306 3.493 20 5 CGBDMO COc1cc(C[N@@H+](C)CCC(C)C)c([N+](=O)[O-])cc1OC ZINC000180047089 392705941 /nfs/dbraw/zinc/70/59/41/392705941.db2.gz MLVNTAOSQFEKTM-UHFFFAOYSA-N 1 1 296.367 3.090 20 5 CGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000466928001 393073743 /nfs/dbraw/zinc/07/37/43/393073743.db2.gz XXHTXXDALACTIH-CHWSQXEVSA-N 1 1 278.352 3.094 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1C ZINC000470174914 393229802 /nfs/dbraw/zinc/22/98/02/393229802.db2.gz NVSJNCAXAIVNEY-SUIFULHWSA-N 1 1 260.337 3.482 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@](C)(F)C1 ZINC000470175724 393229900 /nfs/dbraw/zinc/22/99/00/393229900.db2.gz FKLJLQCFKDHMKU-LDCOFTPGSA-N 1 1 278.327 3.432 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CC2(CCC2(F)F)C1 ZINC000356518330 393469372 /nfs/dbraw/zinc/46/93/72/393469372.db2.gz DGDUMYCHYBQTDW-HWKANZROSA-N 1 1 294.301 3.339 20 5 CGBDMO Nc1cccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000420353254 393472054 /nfs/dbraw/zinc/47/20/54/393472054.db2.gz BLJJFTXKRHRDFA-UHFFFAOYSA-N 1 1 297.358 3.342 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H]1CC=CCC1 ZINC000430199162 393537834 /nfs/dbraw/zinc/53/78/34/393537834.db2.gz BBAMHPHKTJLJHV-ZDUSSCGKSA-N 1 1 290.363 3.392 20 5 CGBDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1c(Cl)cccc1[N+](=O)[O-] ZINC000488715864 393547877 /nfs/dbraw/zinc/54/78/77/393547877.db2.gz BPAYYIIFECZKJL-VIFPVBQESA-N 1 1 295.726 3.119 20 5 CGBDMO CC(C)c1ccc(C[N@@H+]2CC[C@]23CCOC3)cc1[N+](=O)[O-] ZINC000421400792 393607169 /nfs/dbraw/zinc/60/71/69/393607169.db2.gz SDLFTCPKTJULNE-MRXNPFEDSA-N 1 1 290.363 3.083 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2CC[C@]23CCOC3)cc1[N+](=O)[O-] ZINC000421400792 393607174 /nfs/dbraw/zinc/60/71/74/393607174.db2.gz SDLFTCPKTJULNE-MRXNPFEDSA-N 1 1 290.363 3.083 20 5 CGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000490013412 393625544 /nfs/dbraw/zinc/62/55/44/393625544.db2.gz MERIIWLTGFBXCO-DGCLKSJQSA-N 1 1 278.352 3.224 20 5 CGBDMO CC[C@@H](C)C[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000490059584 393629357 /nfs/dbraw/zinc/62/93/57/393629357.db2.gz NHWDSOGQMNRYHI-GFCCVEGCSA-N 1 1 280.368 3.471 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000361052047 393656398 /nfs/dbraw/zinc/65/63/98/393656398.db2.gz MXCLHWFVLAYMQC-OAHLLOKOSA-N 1 1 292.379 3.063 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+][C@H](CN)C2CCCC2)cc1[N+](=O)[O-] ZINC000423501478 393672209 /nfs/dbraw/zinc/67/22/09/393672209.db2.gz DQDPJWBYDUZQKF-SWLSCSKDSA-N 1 1 291.395 3.071 20 5 CGBDMO CCOc1cc(C[N@@H+](C)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000492461809 393739127 /nfs/dbraw/zinc/73/91/27/393739127.db2.gz LTINZRDJOXETQV-UHFFFAOYSA-N 1 1 280.368 3.471 20 5 CGBDMO CCC(=O)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000450595117 394027605 /nfs/dbraw/zinc/02/76/05/394027605.db2.gz DQPAKANXMSBMGU-UHFFFAOYSA-N 1 1 290.363 3.319 20 5 CGBDMO CCc1ncc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)o1 ZINC000453396176 394231523 /nfs/dbraw/zinc/23/15/23/394231523.db2.gz URHQZTXJVCSSPO-AWEZNQCLSA-N 1 1 289.335 3.386 20 5 CGBDMO CC[C@H]([NH2+][C@@H](C)CN(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000045691348 397625857 /nfs/dbraw/zinc/62/58/57/397625857.db2.gz UHYSKIVPDCWODF-BBRMVZONSA-N 1 1 293.411 3.366 20 5 CGBDMO Cc1c(C[N@H+]2CCSC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000083416942 287079910 /nfs/dbraw/zinc/07/99/10/287079910.db2.gz KMBGQMHCOFOMQX-UHFFFAOYSA-N 1 1 280.393 3.231 20 5 CGBDMO C[C@@H]1CC2(CCC2)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000433023516 287235689 /nfs/dbraw/zinc/23/56/89/287235689.db2.gz QRQJLNBQRYDULL-GFCCVEGCSA-N 1 1 260.337 3.359 20 5 CGBDMO C[C@H]1CCCC[N@H+]1CCCNc1ccccc1[N+](=O)[O-] ZINC000021506210 171308290 /nfs/dbraw/zinc/30/82/90/171308290.db2.gz JICQGBFEGLSJRK-ZDUSSCGKSA-N 1 1 277.368 3.271 20 5 CGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCSC1 ZINC000037174779 173009709 /nfs/dbraw/zinc/00/97/09/173009709.db2.gz AEBLINGMDABPNK-LLVKDONJSA-N 1 1 286.784 3.186 20 5 CGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCSC1 ZINC000037174779 173009712 /nfs/dbraw/zinc/00/97/12/173009712.db2.gz AEBLINGMDABPNK-LLVKDONJSA-N 1 1 286.784 3.186 20 5 CGBDMO CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000078726430 177376803 /nfs/dbraw/zinc/37/68/03/177376803.db2.gz BBTVXDCCLARQGP-UHFFFAOYSA-N 1 1 262.353 3.259 20 5 CGBDMO C[N@@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000078822143 177393749 /nfs/dbraw/zinc/39/37/49/177393749.db2.gz CNLJNLKXFQITQS-UHFFFAOYSA-N 1 1 256.305 3.227 20 5 CGBDMO CCCC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000131816719 287390041 /nfs/dbraw/zinc/39/00/41/287390041.db2.gz NKZOJUIDVKKJQA-LBPRGKRZSA-N 1 1 293.367 3.044 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C1CCOCC1 ZINC000527054719 270124708 /nfs/dbraw/zinc/12/47/08/270124708.db2.gz NTLMTEHUYUIVRM-JLHYYAGUSA-N 1 1 290.363 3.109 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCSCC1 ZINC000530340518 270198832 /nfs/dbraw/zinc/19/88/32/270198832.db2.gz JXTVRCJOXKLYQR-JLHYYAGUSA-N 1 1 292.404 3.437 20 5 CGBDMO CC[C@@H](C)C[N@@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC000531140623 270204476 /nfs/dbraw/zinc/20/44/76/270204476.db2.gz AVCDFOOKGJOSPQ-GFCCVEGCSA-N 1 1 250.342 3.463 20 5 CGBDMO C[C@@H]1CCC[C@H](C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000347786617 274296491 /nfs/dbraw/zinc/29/64/91/274296491.db2.gz OPUZUTUSQOANNX-OLZOCXBDSA-N 1 1 289.379 3.174 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH+]2CC(c3ccccc3F)C2)cc1 ZINC000361254096 287983961 /nfs/dbraw/zinc/98/39/61/287983961.db2.gz VZGODXKHAQBILK-UHFFFAOYSA-N 1 1 286.306 3.333 20 5 CGBDMO CC(C)C[C@H]1CCCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331700086 279204450 /nfs/dbraw/zinc/20/44/50/279204450.db2.gz ZFJVCXPJPJQVIC-CYBMUJFWSA-N 1 1 294.399 3.119 20 5 CGBDMO CC[C@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCCO1 ZINC000281303590 281174306 /nfs/dbraw/zinc/17/43/06/281174306.db2.gz HPSLGDGHBKYNNE-ZFWWWQNUSA-N 1 1 292.379 3.465 20 5 CGBDMO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000543592616 288811049 /nfs/dbraw/zinc/81/10/49/288811049.db2.gz VMKIHVCXIZOWPE-BXUZGUMPSA-N 1 1 288.351 3.130 20 5 CGBDMO CCC[C@H](C)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000566848924 322140531 /nfs/dbraw/zinc/14/05/31/322140531.db2.gz YBZRKDBTALNKDN-LBPRGKRZSA-N 1 1 278.352 3.225 20 5 CGBDMO CCCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCCO ZINC000571091466 322289633 /nfs/dbraw/zinc/28/96/33/322289633.db2.gz XPXCYTDHQWJJGS-RMKNXTFCSA-N 1 1 292.379 3.093 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)C(C)C ZINC000572410780 322335991 /nfs/dbraw/zinc/33/59/91/322335991.db2.gz PBCXBDPACSIKTF-LBPRGKRZSA-N 1 1 250.342 3.380 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)S1 ZINC000382379597 336086785 /nfs/dbraw/zinc/08/67/85/336086785.db2.gz QWZGSHUUQYVEPY-AOOOYVTPSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)S1 ZINC000382379597 336086786 /nfs/dbraw/zinc/08/67/86/336086786.db2.gz QWZGSHUUQYVEPY-AOOOYVTPSA-N 1 1 284.356 3.060 20 5 CGBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000383884175 336119049 /nfs/dbraw/zinc/11/90/49/336119049.db2.gz HBKGFOYCWHAUQK-SECBINFHSA-N 1 1 287.310 3.014 20 5 CGBDMO C[C@@H]1Cc2[nH+]cn(Cc3ccccc3[N+](=O)[O-])c2C[C@@H]1C ZINC000386323947 336170707 /nfs/dbraw/zinc/17/07/07/336170707.db2.gz GCEPTTPMLSIULG-NEPJUHHUSA-N 1 1 285.347 3.210 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000426461827 533846112 /nfs/dbraw/zinc/84/61/12/533846112.db2.gz POGZUNDDBWBXIW-IUODEOHRSA-N 1 1 260.337 3.278 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+]Cc2ccncc2F)cc1[N+](=O)[O-] ZINC000449176115 534226018 /nfs/dbraw/zinc/22/60/18/534226018.db2.gz SAZIIRDQHKZBMG-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CC1 ZINC000516905909 535121084 /nfs/dbraw/zinc/12/10/84/535121084.db2.gz LJQIMBCNDAGHPA-UHFFFAOYSA-N 1 1 288.351 3.092 20 5 CGBDMO CC[C@H]([NH2+][C@H](C)c1ccncn1)c1cccc([N+](=O)[O-])c1 ZINC000453129745 535942595 /nfs/dbraw/zinc/94/25/95/535942595.db2.gz KNOMIGAOBAXEST-RISCZKNCSA-N 1 1 286.335 3.187 20 5 CGBDMO C[C@H]1CCCCC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000738227759 571981984 /nfs/dbraw/zinc/98/19/84/571981984.db2.gz YYTMXAWEQVBEFT-LBPRGKRZSA-N 1 1 288.351 3.167 20 5 CGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000750074372 573079352 /nfs/dbraw/zinc/07/93/52/573079352.db2.gz XKUYCUWSOZMDFX-IAGOWNOFSA-N 1 1 298.342 3.075 20 5 CGBDMO C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000235672147 618690793 /nfs/dbraw/zinc/69/07/93/618690793.db2.gz NRVNKOZGEDAIEW-VIFPVBQESA-N 1 1 299.168 3.199 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000235672147 618690795 /nfs/dbraw/zinc/69/07/95/618690795.db2.gz NRVNKOZGEDAIEW-VIFPVBQESA-N 1 1 299.168 3.199 20 5 CGBDMO C[C@H]([NH2+]Cc1cccnc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000105420809 619236770 /nfs/dbraw/zinc/23/67/70/619236770.db2.gz BLZGPPNNQCKHKD-JTQLQIEISA-N 1 1 291.738 3.494 20 5 CGBDMO CCc1ccc([C@H]2CCCCC[N@H+]2CC[N+](=O)[O-])o1 ZINC000791054103 619435475 /nfs/dbraw/zinc/43/54/75/619435475.db2.gz XIIUNVMALGCGBN-CYBMUJFWSA-N 1 1 266.341 3.036 20 5 CGBDMO CCOc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000896510409 620015911 /nfs/dbraw/zinc/01/59/11/620015911.db2.gz ONNSDQXGQPXMQW-LLVKDONJSA-N 1 1 290.319 3.437 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](C)CC1 ZINC000896583357 620030009 /nfs/dbraw/zinc/03/00/09/620030009.db2.gz FWJPIXQPMAKFPY-QLKUMGTLSA-N 1 1 290.363 3.109 20 5 CGBDMO CCC[C@]1(C)CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000173536001 623329503 /nfs/dbraw/zinc/32/95/03/623329503.db2.gz YNGZETBNGXMSAZ-OAHLLOKOSA-N 1 1 294.399 3.268 20 5 CGBDMO CCC[C@]1(C)CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000173536001 623329507 /nfs/dbraw/zinc/32/95/07/623329507.db2.gz YNGZETBNGXMSAZ-OAHLLOKOSA-N 1 1 294.399 3.268 20 5 CGBDMO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CC[N+](=O)[O-] ZINC000929773826 623626409 /nfs/dbraw/zinc/62/64/09/623626409.db2.gz IYWUNPDKQKTIHQ-MNOVXSKESA-N 1 1 270.760 3.041 20 5 CGBDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000839657669 626770609 /nfs/dbraw/zinc/77/06/09/626770609.db2.gz DTPXJEWIYQTDPK-JTQLQIEISA-N 1 1 266.316 3.354 20 5 CGBDMO COC(C)(C)C[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000758811903 626860888 /nfs/dbraw/zinc/86/08/88/626860888.db2.gz IDLDNGNNFLYZOQ-UHFFFAOYSA-N 1 1 286.759 3.105 20 5 CGBDMO C[C@@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769104016 627522420 /nfs/dbraw/zinc/52/24/20/627522420.db2.gz VLXUFODGCDVNSE-SECBINFHSA-N 1 1 299.168 3.199 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769104016 627522423 /nfs/dbraw/zinc/52/24/23/627522423.db2.gz VLXUFODGCDVNSE-SECBINFHSA-N 1 1 299.168 3.199 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC1CC1 ZINC000774838759 628036909 /nfs/dbraw/zinc/03/69/09/628036909.db2.gz KVDOLHYVCVTIKH-UHFFFAOYSA-N 1 1 293.323 3.123 20 5 CGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774905716 628048370 /nfs/dbraw/zinc/04/83/70/628048370.db2.gz RCGYCIDLEYPVKK-PWSUYJOCSA-N 1 1 293.323 3.123 20 5 CGBDMO CC(C)[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1F ZINC000791053746 629252738 /nfs/dbraw/zinc/25/27/38/629252738.db2.gz GCQXHJDMDYDRMG-LBPRGKRZSA-N 1 1 274.723 3.043 20 5 CGBDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000792865479 629388337 /nfs/dbraw/zinc/38/83/37/629388337.db2.gz BYTPHBPJYDMACV-QWRGUYRKSA-N 1 1 293.323 3.123 20 5 CGBDMO CC1=CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000797823277 629988224 /nfs/dbraw/zinc/98/82/24/629988224.db2.gz QFMDVURRCQGINX-UHFFFAOYSA-N 1 1 298.346 3.068 20 5 CGBDMO CC1=CCC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000797823277 629988226 /nfs/dbraw/zinc/98/82/26/629988226.db2.gz QFMDVURRCQGINX-UHFFFAOYSA-N 1 1 298.346 3.068 20 5 CGBDMO C[N@@H+](CCNc1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC000811769303 631118316 /nfs/dbraw/zinc/11/83/16/631118316.db2.gz VKXHFAXCQOCFQR-UHFFFAOYSA-N 1 1 295.358 3.410 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880148122 635925820 /nfs/dbraw/zinc/92/58/20/635925820.db2.gz RMHUNIJDIOYULG-QWHCGFSZSA-N 1 1 292.379 3.057 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@H]2C2CC2)cc1F ZINC000831777497 633999717 /nfs/dbraw/zinc/99/97/17/633999717.db2.gz AQAKTLDLFOWSBN-AWEZNQCLSA-N 1 1 296.367 3.061 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@H]2C2CC2)cc1F ZINC000831777497 633999720 /nfs/dbraw/zinc/99/97/20/633999720.db2.gz AQAKTLDLFOWSBN-AWEZNQCLSA-N 1 1 296.367 3.061 20 5 CGBDMO CCc1ncc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)o1 ZINC000873129215 634252040 /nfs/dbraw/zinc/25/20/40/634252040.db2.gz HYATXZRYNOYOIR-UHFFFAOYSA-N 1 1 289.335 3.052 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCCOC(C)(C)C1 ZINC000876752252 634893073 /nfs/dbraw/zinc/89/30/73/634893073.db2.gz KBIBZJXYXPUBNJ-UHFFFAOYSA-N 1 1 292.379 3.213 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000877565577 635094163 /nfs/dbraw/zinc/09/41/63/635094163.db2.gz KCZODJFQEQLVAK-MLGOLLRUSA-N 1 1 292.379 3.068 20 5 CGBDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000877812886 635219437 /nfs/dbraw/zinc/21/94/37/635219437.db2.gz CDFCIKFUMXKFDX-LBPRGKRZSA-N 1 1 288.269 3.369 20 5 CGBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCCCCC1 ZINC000885933057 637318091 /nfs/dbraw/zinc/31/80/91/637318091.db2.gz IFILALAPDLDIOQ-UHFFFAOYSA-N 1 1 263.341 3.144 20 5 CGBDMO Cc1ccc([C@@H](C)[N@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885955772 637328756 /nfs/dbraw/zinc/32/87/56/637328756.db2.gz AHZDXYCXYNULFL-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1ccc([C@@H](C)[N@@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885955772 637328758 /nfs/dbraw/zinc/32/87/58/637328758.db2.gz AHZDXYCXYNULFL-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000885956318 637330916 /nfs/dbraw/zinc/33/09/16/637330916.db2.gz NDIPHEYIHKWLTL-WCQYABFASA-N 1 1 263.341 3.000 20 5 CGBDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886016794 637365675 /nfs/dbraw/zinc/36/56/75/637365675.db2.gz LXAYGYGKXSASQK-OCCSQVGLSA-N 1 1 277.368 3.390 20 5 CGBDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886018536 637367331 /nfs/dbraw/zinc/36/73/31/637367331.db2.gz BXUYYDHLURWGFU-NWDGAFQWSA-N 1 1 263.341 3.000 20 5 CGBDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886021363 637369332 /nfs/dbraw/zinc/36/93/32/637369332.db2.gz UXCXRCHJZQFKNY-DYEKYZERSA-N 1 1 275.352 3.143 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])CC12CCC2 ZINC000886102570 637414458 /nfs/dbraw/zinc/41/44/58/637414458.db2.gz KGPLTZXCEHVMRU-LBPRGKRZSA-N 1 1 275.352 3.002 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000851798447 637507249 /nfs/dbraw/zinc/50/72/49/637507249.db2.gz LGKBBHZTLMHGSO-JTQLQIEISA-N 1 1 266.316 3.354 20 5 CGBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC1=CCCOC1 ZINC000852519075 637671823 /nfs/dbraw/zinc/67/18/23/637671823.db2.gz USNQEGFVMVMELN-UHFFFAOYSA-N 1 1 296.754 3.027 20 5 CGBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC1=CCCOC1 ZINC000852519075 637671829 /nfs/dbraw/zinc/67/18/29/637671829.db2.gz USNQEGFVMVMELN-UHFFFAOYSA-N 1 1 296.754 3.027 20 5 CGBDMO C[N@H+](CC1=CCSC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000852747269 637705056 /nfs/dbraw/zinc/70/50/56/637705056.db2.gz BIADOXYUNHNHNK-UHFFFAOYSA-N 1 1 298.795 3.353 20 5 CGBDMO C[N@@H+](CC1=CCSC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000852747269 637705061 /nfs/dbraw/zinc/70/50/61/637705061.db2.gz BIADOXYUNHNHNK-UHFFFAOYSA-N 1 1 298.795 3.353 20 5 CGBDMO C[N@@H+](CCCF)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000887142606 637758718 /nfs/dbraw/zinc/75/87/18/637758718.db2.gz SBHUEHLNBGXSRJ-UHFFFAOYSA-N 1 1 294.248 3.405 20 5 CGBDMO Cc1cccc(C)c1C[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000933763644 639486648 /nfs/dbraw/zinc/48/66/48/639486648.db2.gz YMTSMFMOQQRPQM-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO Cc1cccc(C)c1C[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000933763644 639486679 /nfs/dbraw/zinc/48/66/79/639486679.db2.gz YMTSMFMOQQRPQM-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000934116201 639546280 /nfs/dbraw/zinc/54/62/80/639546280.db2.gz KSTLMXWMOZIYOO-NILFDRSVSA-N 1 1 278.352 3.073 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001254551118 806447382 /nfs/dbraw/zinc/44/73/82/806447382.db2.gz YJTKJKLKYPVAHB-YUELXQCFSA-N 1 1 274.364 3.258 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC001254550281 806447812 /nfs/dbraw/zinc/44/78/12/806447812.db2.gz HCKSHZGFJGZAOJ-STQMWFEESA-N 1 1 262.353 3.258 20 5 CGBDMO COC[C@@H]1CCCC[N@H+]1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254553095 806449985 /nfs/dbraw/zinc/44/99/85/806449985.db2.gz SCLZJBMQGPCFKH-ZFWWWQNUSA-N 1 1 292.379 3.027 20 5 CGBDMO CC[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001254563081 806451922 /nfs/dbraw/zinc/45/19/22/806451922.db2.gz SXBKFYYHBPTCLX-CYBMUJFWSA-N 1 1 292.379 3.027 20 5 CGBDMO CC[N@@H+](Cc1ccccn1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254560269 806450744 /nfs/dbraw/zinc/45/07/44/806450744.db2.gz QYVJVUMPGVOQBV-CQSZACIVSA-N 1 1 299.374 3.443 20 5 CGBDMO C[C@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001254596731 806457537 /nfs/dbraw/zinc/45/75/37/806457537.db2.gz FUJIEQPLWTWQDF-HZMBPMFUSA-N 1 1 296.317 3.039 20 5 CGBDMO CC(C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000159442929 799074184 /nfs/dbraw/zinc/07/41/84/799074184.db2.gz VXFDZCARZYWNCU-GFCCVEGCSA-N 1 1 266.316 3.212 20 5 CGBDMO COC(C)(C)C[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000404332171 799576067 /nfs/dbraw/zinc/57/60/67/799576067.db2.gz AADOXXSHDOVVIR-UHFFFAOYSA-N 1 1 286.759 3.105 20 5 CGBDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001167487326 807199842 /nfs/dbraw/zinc/19/98/42/807199842.db2.gz KBWHIPALFRCCDF-GHMZBOCLSA-N 1 1 266.316 3.354 20 5 CGBDMO C[N@@H+](CCc1cccc(Cl)c1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036443 807555561 /nfs/dbraw/zinc/55/55/61/807555561.db2.gz OLKJUNZEJPYAMN-UKRRQHHQSA-N 1 1 296.798 3.260 20 5 CGBDMO CC[C@@H]1c2ccccc2CC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036872 807555608 /nfs/dbraw/zinc/55/56/08/807555608.db2.gz HSWMJVDSRJYGMV-UKPHBRMFSA-N 1 1 288.391 3.441 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCc3cc(Cl)ccc3C2)C1 ZINC001169036401 807555852 /nfs/dbraw/zinc/55/58/52/807555852.db2.gz OBXZNSBUYPYZKQ-IAQYHMDHSA-N 1 1 294.782 3.144 20 5 CGBDMO C[N@@H+](Cc1cccc2cccnc21)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036491 807555940 /nfs/dbraw/zinc/55/59/40/807555940.db2.gz OTDWFTBCQFJDDF-CJNGLKHVSA-N 1 1 299.374 3.112 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CCC2)C1 ZINC001169040928 807556797 /nfs/dbraw/zinc/55/67/97/807556797.db2.gz ADORUNPJPWWAHJ-RDJZCZTQSA-N 1 1 288.391 3.487 20 5 CGBDMO COc1ccccc1[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040225 807557184 /nfs/dbraw/zinc/55/71/84/807557184.db2.gz YYXRHIZATBCQMR-BFHYXJOUSA-N 1 1 292.379 3.133 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2Cc3ccc(Cl)cc3C2)C1 ZINC001169039866 807557858 /nfs/dbraw/zinc/55/78/58/807557858.db2.gz VDBCCZGXGPWCEN-HZMBPMFUSA-N 1 1 280.755 3.101 20 5 CGBDMO CC(C)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001170413564 807837517 /nfs/dbraw/zinc/83/75/17/807837517.db2.gz XPHLRCPZOUHTOT-AWEZNQCLSA-N 1 1 262.353 3.430 20 5 CGBDMO CCC(CC)[N@@H+](CC)CCOc1cccc([N+](=O)[O-])c1 ZINC001170756911 807898396 /nfs/dbraw/zinc/89/83/96/807898396.db2.gz QGEJFCSIVOZQJN-UHFFFAOYSA-N 1 1 280.368 3.484 20 5 CGBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCC[C@@H]2C)c1F ZINC001173187136 808533143 /nfs/dbraw/zinc/53/31/43/808533143.db2.gz XTRGFSDMCIKJHG-WDEREUQCSA-N 1 1 296.342 3.158 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@](C)(F)C1 ZINC001173220646 808539596 /nfs/dbraw/zinc/53/95/96/808539596.db2.gz BOTKHCGLXSNOIM-SWLSCSKDSA-N 1 1 280.343 3.350 20 5 CGBDMO CC[C@H]1CCC[N@H+]1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173228406 808541995 /nfs/dbraw/zinc/54/19/95/808541995.db2.gz WFQOFCXTNRPPDV-JSGCOSHPSA-N 1 1 262.353 3.400 20 5 CGBDMO CO[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001173237736 808545884 /nfs/dbraw/zinc/54/58/84/808545884.db2.gz LSEIUIGXFBJRRD-WOSRLPQWSA-N 1 1 292.379 3.025 20 5 CGBDMO CC[C@H](C)[N@@H+](C)CCNc1cc(C)sc1[N+](=O)[O-] ZINC001185204812 810245357 /nfs/dbraw/zinc/24/53/57/810245357.db2.gz SOYDXFYZLZSDSM-VIFPVBQESA-N 1 1 271.386 3.107 20 5 CGBDMO Cc1ccc(NC[C@@H]2CC[N@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC001187242823 810391776 /nfs/dbraw/zinc/39/17/76/810391776.db2.gz OVWZGTBGVRSLBL-AWEZNQCLSA-N 1 1 289.379 3.332 20 5 CGBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC001198414577 811499146 /nfs/dbraw/zinc/49/91/46/811499146.db2.gz YJOYSZSSGXEXQM-UHFFFAOYSA-N 1 1 278.352 3.096 20 5 CGBDMO C[N@H+](CCN)Cc1c2ccccc2cc2ccccc21 ZINC001204699607 812711578 /nfs/dbraw/zinc/71/15/78/812711578.db2.gz OYVKTMOEHROLQK-UHFFFAOYSA-N 1 1 264.372 3.384 20 5 CGBDMO C[N@@H+](CCN)Cc1c2ccccc2cc2ccccc21 ZINC001204699607 812711580 /nfs/dbraw/zinc/71/15/80/812711580.db2.gz OYVKTMOEHROLQK-UHFFFAOYSA-N 1 1 264.372 3.384 20 5 CGBDMO Cc1[nH+]c2ccccn2c1Nc1cccc([N+](=O)[O-])c1F ZINC001210378339 814432276 /nfs/dbraw/zinc/43/22/76/814432276.db2.gz IKGTYRVWCQSVGS-UHFFFAOYSA-N 1 1 286.266 3.434 20 5 CGBDMO O=[N+]([O-])c1cc(Nc2c[nH+]c3ccccn23)ccc1F ZINC001211189952 814843632 /nfs/dbraw/zinc/84/36/32/814843632.db2.gz DFWCSUBSOIEXHZ-UHFFFAOYSA-N 1 1 272.239 3.125 20 5 CGBDMO Cc1ccc(C)c(Nc2ccc(F)c([N+](=O)[O-])c2)[nH+]1 ZINC001211191139 814843900 /nfs/dbraw/zinc/84/39/00/814843900.db2.gz RWVTUBXLONGXMY-UHFFFAOYSA-N 1 1 261.256 3.489 20 5 CGBDMO C[C@H](O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC001223430718 816630080 /nfs/dbraw/zinc/63/00/80/816630080.db2.gz PQNSHFNGDFYPJW-YYWXWVFPSA-N 1 1 290.363 3.298 20 5 CGBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc([N+](=O)[O-])c1)C2 ZINC001226763440 817457680 /nfs/dbraw/zinc/45/76/80/817457680.db2.gz TZGYMFMLMOUWJR-VIKVFOODSA-N 1 1 290.363 3.377 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CC[N@H+](C(C)C)C1 ZINC001226989820 817527323 /nfs/dbraw/zinc/52/73/23/817527323.db2.gz OQQKVPNWZMLAAM-LLVKDONJSA-N 1 1 298.770 3.418 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCC(F)(F)F)CC2 ZINC001342779431 936479204 /nfs/dbraw/zinc/47/92/04/936479204.db2.gz OXXHOXCPSMKGGY-UHFFFAOYSA-N 1 1 288.269 3.295 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCC(F)(F)F)CC2 ZINC001342779431 936479206 /nfs/dbraw/zinc/47/92/06/936479206.db2.gz OXXHOXCPSMKGGY-UHFFFAOYSA-N 1 1 288.269 3.295 20 5 CGBDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001459950408 937507986 /nfs/dbraw/zinc/50/79/86/937507986.db2.gz OGWTXXKVPALVBC-CJNGLKHVSA-N 1 1 292.379 3.484 20 5 CGBDMO CC[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1C ZINC001459983899 937509455 /nfs/dbraw/zinc/50/94/55/937509455.db2.gz LVMSSBBQJGLLOE-GHMZBOCLSA-N 1 1 288.351 3.092 20 5 CGBDMO Cc1cc([N+](=O)[O-])c(O[C@H]2CCC[N@H+](C(C)C)C2)cc1F ZINC001229895882 932500680 /nfs/dbraw/zinc/50/06/80/932500680.db2.gz WKSIAZWHKRYSSS-LBPRGKRZSA-N 1 1 296.342 3.294 20 5 CGBDMO CC[C@](C)(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)OC ZINC001461874367 937603160 /nfs/dbraw/zinc/60/31/60/937603160.db2.gz XUZGOACBXHJEQP-MRXNPFEDSA-N 1 1 292.379 3.374 20 5 CGBDMO Cc1cc(O[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1Cl ZINC001229974739 932513811 /nfs/dbraw/zinc/51/38/11/932513811.db2.gz IFGYNXXYMWTMLC-NSHDSACASA-N 1 1 298.770 3.418 20 5 CGBDMO Cc1ccc(C)c([N+](=O)[O-])c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001231059041 932668775 /nfs/dbraw/zinc/66/87/75/932668775.db2.gz FRNWHVDADKPGHU-WDNDVIMCSA-N 1 1 290.363 3.216 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC001307845797 933008409 /nfs/dbraw/zinc/00/84/09/933008409.db2.gz UIELVFBVRLXRSM-CYBMUJFWSA-N 1 1 290.363 3.225 20 5 CGBDMO CC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001317910722 933665487 /nfs/dbraw/zinc/66/54/87/933665487.db2.gz WXDQJFUZTSTRLI-UHFFFAOYSA-N 1 1 297.786 3.169 20 5 CGBDMO O=[N+]([O-])c1sccc1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001472712220 937781005 /nfs/dbraw/zinc/78/10/05/937781005.db2.gz CISBPPYNZDKBRX-LBPRGKRZSA-N 1 1 295.408 3.333 20 5 CGBDMO Cc1[nH+]ccn1CCCSCc1cccc([N+](=O)[O-])c1 ZINC001326138524 934954049 /nfs/dbraw/zinc/95/40/49/934954049.db2.gz QKIBRTYZHAYVJZ-UHFFFAOYSA-N 1 1 291.376 3.423 20 5 CGBDMO C[C@H]([NH2+]C/C=C\C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC001332276887 935456231 /nfs/dbraw/zinc/45/62/31/935456231.db2.gz IQZFTQQFQZZSKG-XOULXFPDSA-N 1 1 264.300 3.351 20 5 CGBDMO Cc1ccc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001559069013 938219755 /nfs/dbraw/zinc/21/97/55/938219755.db2.gz XGVGGQGKWYQFGV-KGLIPLIRSA-N 1 1 291.395 3.436 20 5 CGBDMO CC[N@H+]1CCCC[C@H]1CNc1cc(C)ccc1[N+](=O)[O-] ZINC001559104047 938220437 /nfs/dbraw/zinc/22/04/37/938220437.db2.gz ZZDYMDOIFYETFB-ZDUSSCGKSA-N 1 1 277.368 3.190 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000125535235 187189900 /nfs/dbraw/zinc/18/99/00/187189900.db2.gz XFNYPBCYCDBAJL-QGZVFWFLSA-N 1 1 297.358 3.369 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591062230 346898371 /nfs/dbraw/zinc/89/83/71/346898371.db2.gz YIJSETVZPOVTGP-GFCCVEGCSA-N 1 1 278.327 3.356 20 5 CGBDMO COCC[C@@H](C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546332 536768827 /nfs/dbraw/zinc/76/88/27/536768827.db2.gz IVKSXCMJNNHSQM-UKRRQHHQSA-N 1 1 292.379 3.199 20 5 CGBDMO CSCC[C@@H](C)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000126424205 187238908 /nfs/dbraw/zinc/23/89/08/187238908.db2.gz DDJFUGGZEYASNI-GFCCVEGCSA-N 1 1 282.409 3.211 20 5 CGBDMO COc1ccccc1C1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592143345 346966638 /nfs/dbraw/zinc/96/66/38/346966638.db2.gz VGARWAMKMJOBDQ-UHFFFAOYSA-N 1 1 298.342 3.382 20 5 CGBDMO CC[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CO1 ZINC000593058785 347033596 /nfs/dbraw/zinc/03/35/96/347033596.db2.gz OMNSQQCAZBLXAQ-HOCLYGCPSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000050507897 345083343 /nfs/dbraw/zinc/08/33/43/345083343.db2.gz ZEIXJGHVSAQWSB-DOMZBBRYSA-N 1 1 278.352 3.157 20 5 CGBDMO CCCC[N@@H+](CC)CCOc1ccccc1[N+](=O)[O-] ZINC000051281220 345088417 /nfs/dbraw/zinc/08/84/17/345088417.db2.gz IDOTXFOBUVUJRO-UHFFFAOYSA-N 1 1 266.341 3.096 20 5 CGBDMO Cc1ncc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000052101547 345098472 /nfs/dbraw/zinc/09/84/72/345098472.db2.gz IKOXRRNQUAROIE-UHFFFAOYSA-N 1 1 291.376 3.300 20 5 CGBDMO Cc1ncc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000052101547 345098476 /nfs/dbraw/zinc/09/84/76/345098476.db2.gz IKOXRRNQUAROIE-UHFFFAOYSA-N 1 1 291.376 3.300 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc(O)c1 ZINC000080921026 345689333 /nfs/dbraw/zinc/68/93/33/345689333.db2.gz XXLVIPSQPBFRFF-LBPRGKRZSA-N 1 1 286.331 3.493 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccc(O)c1 ZINC000080921026 345689335 /nfs/dbraw/zinc/68/93/35/345689335.db2.gz XXLVIPSQPBFRFF-LBPRGKRZSA-N 1 1 286.331 3.493 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000588978117 346779508 /nfs/dbraw/zinc/77/95/08/346779508.db2.gz SBKRGQAXIXKRNB-OAHLLOKOSA-N 1 1 274.364 3.259 20 5 CGBDMO O=[N+]([O-])c1ccsc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594603396 347201205 /nfs/dbraw/zinc/20/12/05/347201205.db2.gz UXGZJYZMVASBDK-GHMZBOCLSA-N 1 1 281.381 3.085 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCc3ccc(O)cc32)cs1 ZINC000594979843 347248003 /nfs/dbraw/zinc/24/80/03/347248003.db2.gz MEZFQOWRCXODNH-CYBMUJFWSA-N 1 1 290.344 3.139 20 5 CGBDMO Cc1noc(C[N@@H+]2CCC[C@H](C(C)C)CC2)c1[N+](=O)[O-] ZINC000595325766 347291694 /nfs/dbraw/zinc/29/16/94/347291694.db2.gz WQJNJYVZVIKCNN-LBPRGKRZSA-N 1 1 281.356 3.149 20 5 CGBDMO Cc1noc(C[NH+]2CCC(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000595320682 347291788 /nfs/dbraw/zinc/29/17/88/347291788.db2.gz FSPBZGGGCFSWDQ-UHFFFAOYSA-N 1 1 281.356 3.149 20 5 CGBDMO Cc1noc(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000595327994 347291953 /nfs/dbraw/zinc/29/19/53/347291953.db2.gz TXSFNASOSCXONP-JLLWLGSASA-N 1 1 279.340 3.044 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000595327978 347292201 /nfs/dbraw/zinc/29/22/01/347292201.db2.gz SWATYHCNEJFCJZ-FZMZJTMJSA-N 1 1 278.327 3.498 20 5 CGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595330976 347293166 /nfs/dbraw/zinc/29/31/66/347293166.db2.gz GPSSAVCHZLJOCD-MFKMUULPSA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595341008 347293780 /nfs/dbraw/zinc/29/37/80/347293780.db2.gz ZYLVNLGZELEHPN-AOOOYVTPSA-N 1 1 252.289 3.107 20 5 CGBDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595349942 347296098 /nfs/dbraw/zinc/29/60/98/347296098.db2.gz FYFVDMSZXRLDBG-ZYHUDNBSSA-N 1 1 281.356 3.292 20 5 CGBDMO CC[C@H](C)[N@@H+](CC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000595601580 347324360 /nfs/dbraw/zinc/32/43/60/347324360.db2.gz SNNDUEUMMGRORC-NSHDSACASA-N 1 1 294.351 3.002 20 5 CGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](CCF)C2)c1 ZINC000595755128 347350161 /nfs/dbraw/zinc/35/01/61/347350161.db2.gz GXAQPGBBJKUILR-ZDUSSCGKSA-N 1 1 296.342 3.045 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CCF)C2)c(F)c1 ZINC000595755567 347351607 /nfs/dbraw/zinc/35/16/07/347351607.db2.gz OCTXKHQSTMKQTG-NSHDSACASA-N 1 1 284.306 3.306 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781951 347354902 /nfs/dbraw/zinc/35/49/02/347354902.db2.gz WZWSHPRJOKVGAF-HZSPNIEDSA-N 1 1 292.379 3.464 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000596308410 347414337 /nfs/dbraw/zinc/41/43/37/347414337.db2.gz RRWHIDVAERSRIN-VIFPVBQESA-N 1 1 299.321 3.158 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000596337398 347423028 /nfs/dbraw/zinc/42/30/28/347423028.db2.gz WMTATJBAGCTMMJ-LLVKDONJSA-N 1 1 281.331 3.019 20 5 CGBDMO Cc1ccc(C[N@H+]2CCC[C@H](CCF)C2)cc1[N+](=O)[O-] ZINC000597211195 347555226 /nfs/dbraw/zinc/55/52/26/347555226.db2.gz LGRYRVQRQKMUOU-CYBMUJFWSA-N 1 1 280.343 3.475 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000600213079 347793975 /nfs/dbraw/zinc/79/39/75/347793975.db2.gz AVPPFPBZEIRWNS-CQSZACIVSA-N 1 1 298.342 3.290 20 5 CGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@@H]4C[C@@H]4C3)o2)c1 ZINC000600191717 347791753 /nfs/dbraw/zinc/79/17/53/347791753.db2.gz NFINABGILWXGBB-BETUJISGSA-N 1 1 284.315 3.307 20 5 CGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3CCC(F)(F)C3)c2c1 ZINC000601130248 347872878 /nfs/dbraw/zinc/87/28/78/347872878.db2.gz HHJKVXKWDLUHGH-VIFPVBQESA-N 1 1 293.273 3.165 20 5 CGBDMO Cc1ncc([C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC000601150122 347875429 /nfs/dbraw/zinc/87/54/29/347875429.db2.gz WNNNTRNVSQCEPI-ZETCQYMHSA-N 1 1 283.378 3.272 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000604012783 348106556 /nfs/dbraw/zinc/10/65/56/348106556.db2.gz ZFEBNIGGDDPEGD-OKILXGFUSA-N 1 1 292.379 3.342 20 5 CGBDMO C[C@@H](CNc1ccsc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000604433518 348120453 /nfs/dbraw/zinc/12/04/53/348120453.db2.gz TYHAPJAHODACAI-QWRGUYRKSA-N 1 1 283.397 3.189 20 5 CGBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(F)F ZINC000603427104 348081904 /nfs/dbraw/zinc/08/19/04/348081904.db2.gz ASJFTYJAMBXXIV-UWVGGRQHSA-N 1 1 272.295 3.159 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2C2CC2)cs1 ZINC000609133528 348336887 /nfs/dbraw/zinc/33/68/87/348336887.db2.gz FMDUFIIIELUXGV-NSHDSACASA-N 1 1 252.339 3.031 20 5 CGBDMO COCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000609144584 348337493 /nfs/dbraw/zinc/33/74/93/348337493.db2.gz YNXDWXVIKURWFC-UHFFFAOYSA-N 1 1 296.342 3.125 20 5 CGBDMO COCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000609144584 348337496 /nfs/dbraw/zinc/33/74/96/348337496.db2.gz YNXDWXVIKURWFC-UHFFFAOYSA-N 1 1 296.342 3.125 20 5 CGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])s1 ZINC000609560591 348346896 /nfs/dbraw/zinc/34/68/96/348346896.db2.gz RJTRLPRIQVRCTM-TUAOUCFPSA-N 1 1 297.424 3.435 20 5 CGBDMO C[C@@H]1CC[C@@H](C)[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610372174 348380917 /nfs/dbraw/zinc/38/09/17/348380917.db2.gz HFMIRNIDGDQVOP-ZIAGYGMSSA-N 1 1 292.379 3.484 20 5 CGBDMO CC(C)C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000610410638 348381510 /nfs/dbraw/zinc/38/15/10/348381510.db2.gz SJINTSGMOBXVMM-AWEZNQCLSA-N 1 1 262.353 3.463 20 5 CGBDMO CCCc1[nH+]ccn1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610908914 348409353 /nfs/dbraw/zinc/40/93/53/348409353.db2.gz ZSJIQDDUCKHKGX-UHFFFAOYSA-N 1 1 289.335 3.213 20 5 CGBDMO CC(C)C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000610686876 348396950 /nfs/dbraw/zinc/39/69/50/348396950.db2.gz CBZBERMODBMSJY-LLVKDONJSA-N 1 1 283.397 3.046 20 5 CGBDMO COc1cc(C[N@@H+]([C@H](C)C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000351970455 219270224 /nfs/dbraw/zinc/27/02/24/219270224.db2.gz CDYJPFAOZHLOLK-LLVKDONJSA-N 1 1 290.363 3.366 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180327 348426639 /nfs/dbraw/zinc/42/66/39/348426639.db2.gz CABREWRHRVRKFL-SNVBAGLBSA-N 1 1 282.290 3.387 20 5 CGBDMO COc1cc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000351970456 219271270 /nfs/dbraw/zinc/27/12/70/219271270.db2.gz CDYJPFAOZHLOLK-NSHDSACASA-N 1 1 290.363 3.366 20 5 CGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H]4CCC[C@H]43)nc2c1 ZINC000614600960 348685544 /nfs/dbraw/zinc/68/55/44/348685544.db2.gz VGGHNPRAMPNIIM-GXFFZTMASA-N 1 1 287.319 3.110 20 5 CGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H]4CCC[C@@H]43)nc2c1 ZINC000614600961 348685620 /nfs/dbraw/zinc/68/56/20/348685620.db2.gz VGGHNPRAMPNIIM-MFKMUULPSA-N 1 1 287.319 3.110 20 5 CGBDMO Cc1[nH+]ccn1CCCSc1ccc([N+](=O)[O-])cc1F ZINC000615860872 348769848 /nfs/dbraw/zinc/76/98/48/348769848.db2.gz POWWZGHBRZCWPG-UHFFFAOYSA-N 1 1 295.339 3.421 20 5 CGBDMO Cc1ccc(C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000616152103 348791685 /nfs/dbraw/zinc/79/16/85/348791685.db2.gz PMISHVXNDBCQCI-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO Cc1ccc(C[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000616152103 348791687 /nfs/dbraw/zinc/79/16/87/348791687.db2.gz PMISHVXNDBCQCI-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO CC(C)C1C[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000619431176 349249784 /nfs/dbraw/zinc/24/97/84/349249784.db2.gz VRNWFKZGBFZYIR-UHFFFAOYSA-N 1 1 268.744 3.336 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccncc2)C2CC2)cc1 ZINC000122275532 187023909 /nfs/dbraw/zinc/02/39/09/187023909.db2.gz YMHGNVPOIIJFLJ-UHFFFAOYSA-N 1 1 283.331 3.154 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccncc2)C2CC2)cc1 ZINC000122275532 187023910 /nfs/dbraw/zinc/02/39/10/187023910.db2.gz YMHGNVPOIIJFLJ-UHFFFAOYSA-N 1 1 283.331 3.154 20 5 CGBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000124121866 187123343 /nfs/dbraw/zinc/12/33/43/187123343.db2.gz ZEFYNXMGVKEFOB-ZFWWWQNUSA-N 1 1 292.379 3.110 20 5 CGBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2ccco2)cc1[N+](=O)[O-] ZINC000152547472 188028357 /nfs/dbraw/zinc/02/83/57/188028357.db2.gz PONSGTVKOPKFPU-LLVKDONJSA-N 1 1 290.319 3.437 20 5 CGBDMO CSC[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000292556406 198331102 /nfs/dbraw/zinc/33/11/02/198331102.db2.gz ZAUMUXCFOZOIKJ-AWEZNQCLSA-N 1 1 294.420 3.212 20 5 CGBDMO CC(C)c1[nH+]ccn1Cc1c(F)cccc1[N+](=O)[O-] ZINC000123612652 138368717 /nfs/dbraw/zinc/36/87/17/138368717.db2.gz GCAPNJVLDCGBMA-UHFFFAOYSA-N 1 1 263.272 3.102 20 5 CGBDMO CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000127577487 138389745 /nfs/dbraw/zinc/38/97/45/138389745.db2.gz IUVKOVNIDQHDKZ-OCCSQVGLSA-N 1 1 293.411 3.284 20 5 CGBDMO C[C@@]12CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000298210482 200361565 /nfs/dbraw/zinc/36/15/65/200361565.db2.gz DLZLNCJWUWVHRQ-QWHCGFSZSA-N 1 1 282.290 3.072 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccncc1Cl)c1ccccc1[N+](=O)[O-] ZINC000342291369 216295571 /nfs/dbraw/zinc/29/55/71/216295571.db2.gz CVRXUOVZSJZMQT-SNVBAGLBSA-N 1 1 291.738 3.494 20 5 CGBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000301551237 201064532 /nfs/dbraw/zinc/06/45/32/201064532.db2.gz QRNIWNTWLGDJPP-GWCFXTLKSA-N 1 1 297.786 3.025 20 5 CGBDMO COc1cc(C[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000184234450 189380557 /nfs/dbraw/zinc/38/05/57/189380557.db2.gz LCKBRSFGCMWLQO-SNVBAGLBSA-N 1 1 282.315 3.117 20 5 CGBDMO COc1cc(C[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000184234450 189380558 /nfs/dbraw/zinc/38/05/58/189380558.db2.gz LCKBRSFGCMWLQO-SNVBAGLBSA-N 1 1 282.315 3.117 20 5 CGBDMO CC(C)CO[C@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000120102075 370737897 /nfs/dbraw/zinc/73/78/97/370737897.db2.gz VZKBJWMQWAGXTC-BBRMVZONSA-N 1 1 292.379 3.403 20 5 CGBDMO Cc1ncc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)o1 ZINC000459683103 242182379 /nfs/dbraw/zinc/18/23/79/242182379.db2.gz ZKWAMFDSOPAIJS-UHFFFAOYSA-N 1 1 289.335 3.304 20 5 CGBDMO CC[N@H+]1CCC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000121697652 370886914 /nfs/dbraw/zinc/88/69/14/370886914.db2.gz DBQJDAMCXDMSIS-JTQLQIEISA-N 1 1 299.321 3.017 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@@H+](CC2CC2)C2CCC2)cc1 ZINC000483310565 243276425 /nfs/dbraw/zinc/27/64/25/243276425.db2.gz QLQKWKHOMXDBGW-UHFFFAOYSA-N 1 1 274.364 3.402 20 5 CGBDMO CCCN1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000037177141 369074431 /nfs/dbraw/zinc/07/44/31/369074431.db2.gz DHVMBHWQAALGJI-ZDUSSCGKSA-N 1 1 291.395 3.120 20 5 CGBDMO Cc1noc(C)c1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037775663 369109124 /nfs/dbraw/zinc/10/91/24/369109124.db2.gz IQVPEOBUXSFSCO-SECBINFHSA-N 1 1 275.308 3.050 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCCO1 ZINC000330809015 203263198 /nfs/dbraw/zinc/26/31/98/203263198.db2.gz NNARWWAUSYPNND-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCCO1 ZINC000330809015 203263200 /nfs/dbraw/zinc/26/32/00/203263200.db2.gz NNARWWAUSYPNND-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051124650 369445903 /nfs/dbraw/zinc/44/59/03/369445903.db2.gz BFMMSSCCQLNYAJ-CYBMUJFWSA-N 1 1 278.352 3.368 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@@H]2C(C)C)c([N+](=O)[O-])cc1F ZINC000330922229 203391913 /nfs/dbraw/zinc/39/19/13/203391913.db2.gz RBLBYOGNALIQKR-CYBMUJFWSA-N 1 1 296.342 3.363 20 5 CGBDMO CCC(CC)[N@@H+](CCOC)Cc1cccc([N+](=O)[O-])c1 ZINC000064805734 369661008 /nfs/dbraw/zinc/66/10/08/369661008.db2.gz VHPUZHSWPPUKNH-UHFFFAOYSA-N 1 1 280.368 3.232 20 5 CGBDMO Cc1[nH+]cn(Cc2cc([N+](=O)[O-])ccc2OC(C)C)c1C ZINC000112980651 370457934 /nfs/dbraw/zinc/45/79/34/370457934.db2.gz VKDJHYNMNFPVJG-UHFFFAOYSA-N 1 1 289.335 3.244 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000344004544 217009005 /nfs/dbraw/zinc/00/90/05/217009005.db2.gz CXXAVAXIWOQTKP-AWEZNQCLSA-N 1 1 260.337 3.217 20 5 CGBDMO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000131324349 371098888 /nfs/dbraw/zinc/09/88/88/371098888.db2.gz MCWTVWWXFCRMPQ-FVOPLDGLSA-N 1 1 278.377 3.045 20 5 CGBDMO COCC[C@@H]1CCCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000331646833 204040380 /nfs/dbraw/zinc/04/03/80/204040380.db2.gz NTYRXIAFZVFOMA-LBPRGKRZSA-N 1 1 298.408 3.295 20 5 CGBDMO CCCC[N@@H+](CC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000132654447 371192130 /nfs/dbraw/zinc/19/21/30/371192130.db2.gz VGXSAWZCIVHSPT-UHFFFAOYSA-N 1 1 293.367 3.045 20 5 CGBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCC1 ZINC000133247848 371238716 /nfs/dbraw/zinc/23/87/16/371238716.db2.gz HWGCEFPEUBJDJE-UHFFFAOYSA-N 1 1 254.717 3.233 20 5 CGBDMO CC[C@@H]1CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000331939861 204315840 /nfs/dbraw/zinc/31/58/40/204315840.db2.gz JEYUYKQDLTVZRD-CYBMUJFWSA-N 1 1 278.352 3.366 20 5 CGBDMO CC[C@@H]1CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000331939861 204315843 /nfs/dbraw/zinc/31/58/43/204315843.db2.gz JEYUYKQDLTVZRD-CYBMUJFWSA-N 1 1 278.352 3.366 20 5 CGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCC1 ZINC000135414789 371424589 /nfs/dbraw/zinc/42/45/89/371424589.db2.gz WVKZQKJPCIHUQV-UHFFFAOYSA-N 1 1 254.717 3.233 20 5 CGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCC1 ZINC000135414789 371424592 /nfs/dbraw/zinc/42/45/92/371424592.db2.gz WVKZQKJPCIHUQV-UHFFFAOYSA-N 1 1 254.717 3.233 20 5 CGBDMO COc1ccc(C)[nH+]c1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000150975638 371553171 /nfs/dbraw/zinc/55/31/71/371553171.db2.gz LDLAZHDIRRSYEN-UHFFFAOYSA-N 1 1 287.319 3.227 20 5 CGBDMO CC(C)[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000444769616 373267004 /nfs/dbraw/zinc/26/70/04/373267004.db2.gz ISXWFEGERNKXAI-AWEZNQCLSA-N 1 1 292.379 3.342 20 5 CGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000301074427 373650782 /nfs/dbraw/zinc/65/07/82/373650782.db2.gz GOBQVVSIOIFLMR-RYUDHWBXSA-N 1 1 295.358 3.266 20 5 CGBDMO COC[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000452073054 374226329 /nfs/dbraw/zinc/22/63/29/374226329.db2.gz ALLVMIFVLGNNTM-ZIAGYGMSSA-N 1 1 292.379 3.404 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[N@H+](C)C(C)C)c1 ZINC000311912133 374262075 /nfs/dbraw/zinc/26/20/75/374262075.db2.gz HOMXFRBQTWARIG-GFCCVEGCSA-N 1 1 265.357 3.044 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC2(CC2)C1 ZINC000186606287 374885122 /nfs/dbraw/zinc/88/51/22/374885122.db2.gz DUIMGJVTQDPSSD-UHFFFAOYSA-N 1 1 260.337 3.279 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000465051030 374929709 /nfs/dbraw/zinc/92/97/09/374929709.db2.gz OEXUENQZLGLGPR-CQSZACIVSA-N 1 1 291.395 3.293 20 5 CGBDMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000472295892 375018191 /nfs/dbraw/zinc/01/81/91/375018191.db2.gz PDHSORUHGFIXAW-LBPRGKRZSA-N 1 1 278.352 3.094 20 5 CGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC=CCC1 ZINC000507157893 375681355 /nfs/dbraw/zinc/68/13/55/375681355.db2.gz YDOZKFKSOGWQIJ-ZDUSSCGKSA-N 1 1 260.337 3.383 20 5 CGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC1CCCC1 ZINC000193819708 375926170 /nfs/dbraw/zinc/92/61/70/375926170.db2.gz HIHQDQFJKIIKPQ-UHFFFAOYSA-N 1 1 293.323 3.125 20 5 CGBDMO C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336785616 375935721 /nfs/dbraw/zinc/93/57/21/375935721.db2.gz ABQWYMLXXIYMBL-JTQLQIEISA-N 1 1 252.289 3.108 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000336842577 376005333 /nfs/dbraw/zinc/00/53/33/376005333.db2.gz UZGOFQSYAVMXDT-LLVKDONJSA-N 1 1 283.347 3.185 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c(F)c1 ZINC000336829438 375988357 /nfs/dbraw/zinc/98/83/57/375988357.db2.gz AJJNEIRDQWUNSI-XHDPSFHLSA-N 1 1 278.327 3.498 20 5 CGBDMO C[C@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000538726399 376263669 /nfs/dbraw/zinc/26/36/69/376263669.db2.gz PTBWKOHEBJUOFS-BXLSQVKPSA-N 1 1 260.337 3.196 20 5 CGBDMO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000224109652 376271659 /nfs/dbraw/zinc/27/16/59/376271659.db2.gz UMUXGTWZPATWJF-KCQAQPDRSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000224109652 376271664 /nfs/dbraw/zinc/27/16/64/376271664.db2.gz UMUXGTWZPATWJF-KCQAQPDRSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000541772797 376480826 /nfs/dbraw/zinc/48/08/26/376480826.db2.gz GVMXXVZNQYQVSR-INIZCTEOSA-N 1 1 292.379 3.150 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000541772797 376480842 /nfs/dbraw/zinc/48/08/42/376480842.db2.gz GVMXXVZNQYQVSR-INIZCTEOSA-N 1 1 292.379 3.150 20 5 CGBDMO Cc1cccc(NCc2cccc([N+](=O)[O-])c2C)[nH+]1 ZINC000231868601 376573326 /nfs/dbraw/zinc/57/33/26/376573326.db2.gz UEVWJEAYZKWGSN-UHFFFAOYSA-N 1 1 257.293 3.219 20 5 CGBDMO C[C@H](Nc1[nH+]cnc2[nH]ccc21)c1cccc([N+](=O)[O-])c1 ZINC000339135231 376701874 /nfs/dbraw/zinc/70/18/74/376701874.db2.gz JJVMUCXXDVNZJX-VIFPVBQESA-N 1 1 283.291 3.039 20 5 CGBDMO CC[C@@H]([NH2+]Cc1conc1C)c1cccc([N+](=O)[O-])c1 ZINC000339293637 376744344 /nfs/dbraw/zinc/74/43/44/376744344.db2.gz OIPRXSYYWDMQHU-CQSZACIVSA-N 1 1 275.308 3.132 20 5 CGBDMO CC/C=C/CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000545223476 376800645 /nfs/dbraw/zinc/80/06/45/376800645.db2.gz FTQGAQUQFSTTAX-ONEGZZNKSA-N 1 1 260.337 3.309 20 5 CGBDMO CO[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000252040266 377613509 /nfs/dbraw/zinc/61/35/09/377613509.db2.gz ZJEGICGRQLKHOE-SLEUVZQESA-N 1 1 278.352 3.013 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000341996158 377625251 /nfs/dbraw/zinc/62/52/51/377625251.db2.gz VNJDSRGCSRILFG-BBRMVZONSA-N 1 1 290.363 3.158 20 5 CGBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC[C@@H]1CCCO1 ZINC000343476677 377992032 /nfs/dbraw/zinc/99/20/32/377992032.db2.gz VLCJEULYUXDCEL-SZTZYQKNSA-N 1 1 290.363 3.109 20 5 CGBDMO CCC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000343948589 378141486 /nfs/dbraw/zinc/14/14/86/378141486.db2.gz IJQOPGPIQQXNNZ-GFCCVEGCSA-N 1 1 281.331 3.020 20 5 CGBDMO Cc1c(C[N@H+](C)Cc2ccoc2)cccc1[N+](=O)[O-] ZINC000345099849 378196114 /nfs/dbraw/zinc/19/61/14/378196114.db2.gz SSOSFQLQTLCQEF-UHFFFAOYSA-N 1 1 260.293 3.128 20 5 CGBDMO Cc1c(C[N@@H+](C)Cc2ccoc2)cccc1[N+](=O)[O-] ZINC000345099849 378196120 /nfs/dbraw/zinc/19/61/20/378196120.db2.gz SSOSFQLQTLCQEF-UHFFFAOYSA-N 1 1 260.293 3.128 20 5 CGBDMO CC[C@@H]([NH2+]Cc1ccc(F)cn1)c1cccc([N+](=O)[O-])c1 ZINC000269038391 378178316 /nfs/dbraw/zinc/17/83/16/378178316.db2.gz WAUSFSCEQXEKFJ-OAHLLOKOSA-N 1 1 289.310 3.370 20 5 CGBDMO C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269697566 378255369 /nfs/dbraw/zinc/25/53/69/378255369.db2.gz XGIWYXAGFHUTHS-XNRPHZJLSA-N 1 1 292.379 3.139 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000271597901 378499419 /nfs/dbraw/zinc/49/94/19/378499419.db2.gz HRPKLKUNJNXJCG-GFCCVEGCSA-N 1 1 286.335 3.010 20 5 CGBDMO Cc1[nH+]ccn1CCCCNc1c(C)cccc1[N+](=O)[O-] ZINC000266217820 190241057 /nfs/dbraw/zinc/24/10/57/190241057.db2.gz HHTMTUNAHOMGTJ-UHFFFAOYSA-N 1 1 288.351 3.300 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CCCOC1 ZINC000266764137 190279388 /nfs/dbraw/zinc/27/93/88/190279388.db2.gz QTOSDHCNTSZZIH-QWHCGFSZSA-N 1 1 278.352 3.014 20 5 CGBDMO COC1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267075088 190301678 /nfs/dbraw/zinc/30/16/78/190301678.db2.gz WOTZIMSNFDXVRB-UHFFFAOYSA-N 1 1 296.342 3.123 20 5 CGBDMO CO[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000377235264 379650199 /nfs/dbraw/zinc/65/01/99/379650199.db2.gz CGOOQNACXOYDFS-NFBGWVBBSA-N 1 1 290.363 3.109 20 5 CGBDMO COc1cc(C[N@H+]2C[C@@H](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000352541603 379850310 /nfs/dbraw/zinc/85/03/10/379850310.db2.gz ZTMLWWJCGGBHFD-NSHDSACASA-N 1 1 278.352 3.224 20 5 CGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000352670645 379902825 /nfs/dbraw/zinc/90/28/25/379902825.db2.gz HPDPMVLFBKLTDO-DDJMYBDESA-N 1 1 290.363 3.109 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352779515 379954279 /nfs/dbraw/zinc/95/42/79/379954279.db2.gz PPLKPCUFPOSPPY-VXGBXAGGSA-N 1 1 278.352 3.081 20 5 CGBDMO COc1ccc(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000418125405 380708032 /nfs/dbraw/zinc/70/80/32/380708032.db2.gz JGDSWHJWLHINFM-SRVKXCTJSA-N 1 1 278.352 3.080 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000357729998 381268329 /nfs/dbraw/zinc/26/83/29/381268329.db2.gz KLNRYGLINVNXKW-RYUDHWBXSA-N 1 1 278.352 3.224 20 5 CGBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC1CCC1 ZINC000361484267 381768633 /nfs/dbraw/zinc/76/86/33/381768633.db2.gz IPBZTMIPLDKXES-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000492299211 285154369 /nfs/dbraw/zinc/15/43/69/285154369.db2.gz ZCMIJRVOUGCOJB-NSHDSACASA-N 1 1 280.755 3.480 20 5 CGBDMO CC[C@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281447204 195243947 /nfs/dbraw/zinc/24/39/47/195243947.db2.gz QJQVLNOELRLEFQ-DOMZBBRYSA-N 1 1 278.352 3.157 20 5 CGBDMO C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000358049304 533465816 /nfs/dbraw/zinc/46/58/16/533465816.db2.gz QTEXOQAFKGQQAH-GFCCVEGCSA-N 1 1 296.330 3.093 20 5 CGBDMO Cc1ccc2c(c1)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000361725662 392303934 /nfs/dbraw/zinc/30/39/34/392303934.db2.gz GVAMAQQASAFWBM-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO Cc1ccc2c(c1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000361725662 392303941 /nfs/dbraw/zinc/30/39/41/392303941.db2.gz GVAMAQQASAFWBM-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000362442293 392416400 /nfs/dbraw/zinc/41/64/00/392416400.db2.gz WDCXUUOXTCEXAU-MNOVXSKESA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000297329249 392568247 /nfs/dbraw/zinc/56/82/47/392568247.db2.gz NWIGHZXOLFQJHK-SUNKGSAMSA-N 1 1 286.335 3.148 20 5 CGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC1CCCC1 ZINC000519905698 392901523 /nfs/dbraw/zinc/90/15/23/392901523.db2.gz CMVYMOJHPJJQBJ-UHFFFAOYSA-N 1 1 278.352 3.096 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOCC2(CCC2)C1 ZINC000408213948 392970982 /nfs/dbraw/zinc/97/09/82/392970982.db2.gz FMACNTZBAALTDO-CYBMUJFWSA-N 1 1 290.363 3.158 20 5 CGBDMO CC[C@]1(C)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000468148489 393128822 /nfs/dbraw/zinc/12/88/22/393128822.db2.gz IBFYNXYJCXNPNK-OAHLLOKOSA-N 1 1 278.352 3.096 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000429563029 393481411 /nfs/dbraw/zinc/48/14/11/393481411.db2.gz AWJZRBMFSGCNKL-ZYHUDNBSSA-N 1 1 296.342 3.363 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(C)C)C1 ZINC000430213184 393540985 /nfs/dbraw/zinc/54/09/85/393540985.db2.gz RZEPICIETBMIKR-LBPRGKRZSA-N 1 1 278.352 3.081 20 5 CGBDMO C[C@H]1C[C@@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000488357945 393496468 /nfs/dbraw/zinc/49/64/68/393496468.db2.gz QMLFCWDNTDWTCY-WCQYABFASA-N 1 1 260.337 3.215 20 5 CGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430239158 393546381 /nfs/dbraw/zinc/54/63/81/393546381.db2.gz MVSWZRYLKZFOEU-WCQYABFASA-N 1 1 278.352 3.224 20 5 CGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430199445 393537442 /nfs/dbraw/zinc/53/74/42/393537442.db2.gz BTILUBZOXGPUKI-BXUZGUMPSA-N 1 1 278.352 3.224 20 5 CGBDMO CC1=C[C@@H](C)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430266614 393552394 /nfs/dbraw/zinc/55/23/94/393552394.db2.gz DEDYKOFQNHYVLY-CYBMUJFWSA-N 1 1 290.363 3.262 20 5 CGBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC(C)C ZINC000489134256 393576049 /nfs/dbraw/zinc/57/60/49/393576049.db2.gz FEOUJOZBQVLUEX-UHFFFAOYSA-N 1 1 280.368 3.471 20 5 CGBDMO CC(C)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361062337 393661886 /nfs/dbraw/zinc/66/18/86/393661886.db2.gz USKXNOZFIQEEFM-PKYBCLHXSA-N 1 1 290.363 3.107 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C2CC2)C1 ZINC000491159500 393669523 /nfs/dbraw/zinc/66/95/23/393669523.db2.gz DPBSIDODIBFCHC-WCQYABFASA-N 1 1 260.337 3.388 20 5 CGBDMO CCOc1cc(C[N@@H+](C)[C@H](C)C(C)C)ccc1[N+](=O)[O-] ZINC000492506792 393746650 /nfs/dbraw/zinc/74/66/50/393746650.db2.gz CTTHLUWOIYXECH-GFCCVEGCSA-N 1 1 280.368 3.470 20 5 CGBDMO Cc1c(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000501787354 393861235 /nfs/dbraw/zinc/86/12/35/393861235.db2.gz WHAGEWUEVIRQFP-VXGBXAGGSA-N 1 1 262.353 3.381 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](CO)CC(C)(C)C ZINC000449587861 393914857 /nfs/dbraw/zinc/91/48/57/393914857.db2.gz PGWJPTOVCGPMPW-HNNXBMFYSA-N 1 1 294.395 3.132 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccncn2)cc1[N+](=O)[O-] ZINC000453147269 394187626 /nfs/dbraw/zinc/18/76/26/394187626.db2.gz JBCPKWDXWJXUDY-NWDGAFQWSA-N 1 1 286.335 3.105 20 5 CGBDMO CC[C@@H]([NH2+][C@@H](C)CN(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000045691351 397625876 /nfs/dbraw/zinc/62/58/76/397625876.db2.gz UHYSKIVPDCWODF-XJKSGUPXSA-N 1 1 293.411 3.366 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000075768905 287028374 /nfs/dbraw/zinc/02/83/74/287028374.db2.gz DCGIKIVUBZWLFA-RISCZKNCSA-N 1 1 278.327 3.498 20 5 CGBDMO CC(C)[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000076064634 165111571 /nfs/dbraw/zinc/11/15/71/165111571.db2.gz ARKHAZWTVOKNHO-AWEZNQCLSA-N 1 1 280.393 3.168 20 5 CGBDMO CC(C)[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCS1 ZINC000076065167 165111651 /nfs/dbraw/zinc/11/16/51/165111651.db2.gz SFPKJRUTGLIZCG-AWEZNQCLSA-N 1 1 298.383 3.307 20 5 CGBDMO CC(C)[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCS1 ZINC000076065167 165111653 /nfs/dbraw/zinc/11/16/53/165111653.db2.gz SFPKJRUTGLIZCG-AWEZNQCLSA-N 1 1 298.383 3.307 20 5 CGBDMO CC(C)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000076063848 165113201 /nfs/dbraw/zinc/11/32/01/165113201.db2.gz URRXXCYRHXZEBO-CQSZACIVSA-N 1 1 280.393 3.168 20 5 CGBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000119551509 287170808 /nfs/dbraw/zinc/17/08/08/287170808.db2.gz PBIKLOPDWHLWAH-SECBINFHSA-N 1 1 286.784 3.186 20 5 CGBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000119551509 287170812 /nfs/dbraw/zinc/17/08/12/287170812.db2.gz PBIKLOPDWHLWAH-SECBINFHSA-N 1 1 286.784 3.186 20 5 CGBDMO Cc1c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000284833630 196140900 /nfs/dbraw/zinc/14/09/00/196140900.db2.gz QPOSOVMYNHHTBN-CVEARBPZSA-N 1 1 290.363 3.047 20 5 CGBDMO CCCC[N@@H+](CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000131786225 287389353 /nfs/dbraw/zinc/38/93/53/287389353.db2.gz VXBHDLRHLYMREW-LBPRGKRZSA-N 1 1 293.367 3.044 20 5 CGBDMO C[C@@H]1c2cccn2CC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179564425 260055582 /nfs/dbraw/zinc/05/55/82/260055582.db2.gz DLDSMOUSSKRHJB-BTKRWWFXSA-N 1 1 297.358 3.486 20 5 CGBDMO C[C@@H]1c2cccn2CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179564425 260055584 /nfs/dbraw/zinc/05/55/84/260055584.db2.gz DLDSMOUSSKRHJB-BTKRWWFXSA-N 1 1 297.358 3.486 20 5 CGBDMO C[C@H](C1CC1)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000042123214 270031800 /nfs/dbraw/zinc/03/18/00/270031800.db2.gz BVXIACBSQCJFIN-LLVKDONJSA-N 1 1 260.337 3.358 20 5 CGBDMO CC[C@@H](C)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000523607613 270110024 /nfs/dbraw/zinc/11/00/24/270110024.db2.gz LTWVIZVNUKNJCT-LLVKDONJSA-N 1 1 250.342 3.381 20 5 CGBDMO CC(C)OC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000531164874 270204827 /nfs/dbraw/zinc/20/48/27/270204827.db2.gz IVWREKFASNPOGQ-UHFFFAOYSA-N 1 1 296.342 3.123 20 5 CGBDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444708519 274317473 /nfs/dbraw/zinc/31/74/73/274317473.db2.gz RKKFWXBQDLDDKZ-MNOVXSKESA-N 1 1 288.351 3.092 20 5 CGBDMO Cc1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)on1 ZINC000192830757 274697842 /nfs/dbraw/zinc/69/78/42/274697842.db2.gz HJUAUFLPEBBCBC-HNNXBMFYSA-N 1 1 287.319 3.058 20 5 CGBDMO Cc1ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000269946451 278820068 /nfs/dbraw/zinc/82/00/68/278820068.db2.gz QIDBIHVVYIAELQ-GFCCVEGCSA-N 1 1 286.335 3.010 20 5 CGBDMO COCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000487961164 288115979 /nfs/dbraw/zinc/11/59/79/288115979.db2.gz GOSCLJXUIPDJDU-DZGCQCFKSA-N 1 1 292.379 3.232 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H]2CCC=CO2)C2CC2)cc1 ZINC000193701917 280363659 /nfs/dbraw/zinc/36/36/59/280363659.db2.gz QDVYUPBJHIUHKZ-MRXNPFEDSA-N 1 1 288.347 3.252 20 5 CGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000549581762 289047317 /nfs/dbraw/zinc/04/73/17/289047317.db2.gz ZPBGJHCYHKIXTB-GFCCVEGCSA-N 1 1 295.383 3.136 20 5 CGBDMO CC1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1C1CC1 ZINC000565807433 322092115 /nfs/dbraw/zinc/09/21/15/322092115.db2.gz SPYDIXAEDVZZAN-CQSZACIVSA-N 1 1 260.337 3.215 20 5 CGBDMO CCCC[C@H](C)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000573169491 322373523 /nfs/dbraw/zinc/37/35/23/322373523.db2.gz HEHVPYXLILACPJ-ZDUSSCGKSA-N 1 1 280.368 3.484 20 5 CGBDMO Cc1csc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000573265587 322379088 /nfs/dbraw/zinc/37/90/88/322379088.db2.gz CYMMQZUWBVDIJV-GFCCVEGCSA-N 1 1 289.360 3.137 20 5 CGBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000383884176 336119008 /nfs/dbraw/zinc/11/90/08/336119008.db2.gz HBKGFOYCWHAUQK-VIFPVBQESA-N 1 1 287.310 3.014 20 5 CGBDMO CC1(C)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000464794504 500637485 /nfs/dbraw/zinc/63/74/85/500637485.db2.gz MPCCDCCQLIHDOZ-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO CC1(C)CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000464794504 500637489 /nfs/dbraw/zinc/63/74/89/500637489.db2.gz MPCCDCCQLIHDOZ-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO CC[N@@H+](CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000156594215 521082929 /nfs/dbraw/zinc/08/29/29/521082929.db2.gz GMRAYUCTDWTAAQ-AWEZNQCLSA-N 1 1 293.411 3.284 20 5 CGBDMO CCN(CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000156594215 521082937 /nfs/dbraw/zinc/08/29/37/521082937.db2.gz GMRAYUCTDWTAAQ-AWEZNQCLSA-N 1 1 293.411 3.284 20 5 CGBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000183958395 524576536 /nfs/dbraw/zinc/57/65/36/524576536.db2.gz HELKNPCXFHISTM-NSHDSACASA-N 1 1 291.376 3.287 20 5 CGBDMO Cc1c([C@@H](C)NCC2([NH+](C)C)CCC2)cccc1[N+](=O)[O-] ZINC000275659585 525895147 /nfs/dbraw/zinc/89/51/47/525895147.db2.gz FXIVLBCFOOLESR-CYBMUJFWSA-N 1 1 291.395 3.038 20 5 CGBDMO CCC[C@H](NCC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423363944 528220410 /nfs/dbraw/zinc/22/04/10/528220410.db2.gz OISVWBUBXNGKLQ-ZBFHGGJFSA-N 1 1 291.395 3.168 20 5 CGBDMO CC(C)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000125720375 535073785 /nfs/dbraw/zinc/07/37/85/535073785.db2.gz OLUMBHLZHUVDGJ-UHFFFAOYSA-N 1 1 299.374 3.443 20 5 CGBDMO CC1=C(C)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000483378998 535233714 /nfs/dbraw/zinc/23/37/14/535233714.db2.gz GBQOLIWAAXEZJA-UHFFFAOYSA-N 1 1 276.336 3.016 20 5 CGBDMO C[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C1CCC1 ZINC000742173877 572557043 /nfs/dbraw/zinc/55/70/43/572557043.db2.gz ZQYLAIZPWJMQAK-UHFFFAOYSA-N 1 1 293.348 3.314 20 5 CGBDMO C[N@@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C1CCC1 ZINC000742173877 572557046 /nfs/dbraw/zinc/55/70/46/572557046.db2.gz ZQYLAIZPWJMQAK-UHFFFAOYSA-N 1 1 293.348 3.314 20 5 CGBDMO CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC1CC1 ZINC000746670201 572889232 /nfs/dbraw/zinc/88/92/32/572889232.db2.gz DXBMGAASXJDVCK-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO CCOCC[N@H+](CC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746666023 572889624 /nfs/dbraw/zinc/88/96/24/572889624.db2.gz LISZRTRRTFVBMZ-UHFFFAOYSA-N 1 1 286.759 3.107 20 5 CGBDMO CCOCC[N@@H+](CC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746666023 572889629 /nfs/dbraw/zinc/88/96/29/572889629.db2.gz LISZRTRRTFVBMZ-UHFFFAOYSA-N 1 1 286.759 3.107 20 5 CGBDMO Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000747222385 572919386 /nfs/dbraw/zinc/91/93/86/572919386.db2.gz AUQFLBMDQFBFFP-QWRGUYRKSA-N 1 1 297.786 3.451 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934779468 618688238 /nfs/dbraw/zinc/68/82/38/618688238.db2.gz SAJWCMFHXDWXGB-LNSITVRQSA-N 1 1 292.404 3.341 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](CF)C1 ZINC000895572065 619851894 /nfs/dbraw/zinc/85/18/94/619851894.db2.gz DYZHANRUUJEDOZ-WEKMIXOTSA-N 1 1 278.327 3.290 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(F)(F)CC1 ZINC000796539539 620103278 /nfs/dbraw/zinc/10/32/78/620103278.db2.gz BAOVUZFFKWESAW-JTQLQIEISA-N 1 1 270.279 3.387 20 5 CGBDMO COc1cc([C@H](C)[NH2+]Cc2ccoc2)cc([N+](=O)[O-])c1 ZINC000903077013 621557989 /nfs/dbraw/zinc/55/79/89/621557989.db2.gz XKDHKUUHQKBTRW-JTQLQIEISA-N 1 1 276.292 3.047 20 5 CGBDMO COc1cc([C@@H](C)[NH2+]Cc2occc2C)cc([N+](=O)[O-])c1 ZINC000903175824 621613206 /nfs/dbraw/zinc/61/32/06/621613206.db2.gz WDHKCJFGQPIQCB-LLVKDONJSA-N 1 1 290.319 3.356 20 5 CGBDMO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245141 621637362 /nfs/dbraw/zinc/63/73/62/621637362.db2.gz IULCKNUHDKAGRP-GHMZBOCLSA-N 1 1 288.351 3.081 20 5 CGBDMO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000905853515 622120747 /nfs/dbraw/zinc/12/07/47/622120747.db2.gz SDQBLYAEQYLTCJ-VXGBXAGGSA-N 1 1 286.335 3.105 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC3(CCCC3)C2)c1 ZINC000174265588 623376244 /nfs/dbraw/zinc/37/62/44/623376244.db2.gz IJEZVCFMLHZQJN-UHFFFAOYSA-N 1 1 260.337 3.361 20 5 CGBDMO Cc1csc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000069168470 624801547 /nfs/dbraw/zinc/80/15/47/624801547.db2.gz XYDGVMKGYRWZGV-JTQLQIEISA-N 1 1 277.349 3.211 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCc3cccnc32)cs1 ZINC000922883871 626062906 /nfs/dbraw/zinc/06/29/06/626062906.db2.gz VEPKIVKVUCTLAA-GFCCVEGCSA-N 1 1 289.360 3.219 20 5 CGBDMO CCc1onc(C)c1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000922986832 626115375 /nfs/dbraw/zinc/11/53/75/626115375.db2.gz DHNAWTVUTDCHOO-UHFFFAOYSA-N 1 1 289.335 3.052 20 5 CGBDMO C[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000764954496 627233924 /nfs/dbraw/zinc/23/39/24/627233924.db2.gz LXZJPNPTRZGXIS-ZDUSSCGKSA-N 1 1 292.383 3.041 20 5 CGBDMO C[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000764954496 627233925 /nfs/dbraw/zinc/23/39/25/627233925.db2.gz LXZJPNPTRZGXIS-ZDUSSCGKSA-N 1 1 292.383 3.041 20 5 CGBDMO C[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])CC12CCCCC2 ZINC000764955658 627234190 /nfs/dbraw/zinc/23/41/90/627234190.db2.gz OXZANTVAHWJKHN-CYBMUJFWSA-N 1 1 292.383 3.041 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])CC12CCCCC2 ZINC000764955658 627234191 /nfs/dbraw/zinc/23/41/91/627234191.db2.gz OXZANTVAHWJKHN-CYBMUJFWSA-N 1 1 292.383 3.041 20 5 CGBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCCC1 ZINC000776277566 628188393 /nfs/dbraw/zinc/18/83/93/628188393.db2.gz QLQSOTXBQRAZJJ-MRXNPFEDSA-N 1 1 292.379 3.283 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866583986 633204108 /nfs/dbraw/zinc/20/41/08/633204108.db2.gz WGJWKRYMUYVZJS-FRRDWIJNSA-N 1 1 292.404 3.341 20 5 CGBDMO CO[C@H]1CCC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000877196663 635011848 /nfs/dbraw/zinc/01/18/48/635011848.db2.gz GJYVBBMRQYLGRL-AWEZNQCLSA-N 1 1 292.379 3.213 20 5 CGBDMO Cc1c(C[NH+]2CC(C)(CC(F)F)C2)cccc1[N+](=O)[O-] ZINC000877606338 635108600 /nfs/dbraw/zinc/10/86/00/635108600.db2.gz XUWMXABDAMLVPS-UHFFFAOYSA-N 1 1 284.306 3.380 20 5 CGBDMO CC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC(F)(F)C1 ZINC000877834722 635235051 /nfs/dbraw/zinc/23/50/51/635235051.db2.gz WBHYYKXVWSWDOZ-UHFFFAOYSA-N 1 1 297.261 3.013 20 5 CGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC2(CCC2)O1 ZINC000877917456 635269485 /nfs/dbraw/zinc/26/94/85/635269485.db2.gz UUPNWLYGOMCFPB-CQSZACIVSA-N 1 1 290.363 3.128 20 5 CGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC2(CCC2)O1 ZINC000877917456 635269486 /nfs/dbraw/zinc/26/94/86/635269486.db2.gz UUPNWLYGOMCFPB-CQSZACIVSA-N 1 1 290.363 3.128 20 5 CGBDMO Cc1nn(C[N@@H+]2CCC[C@H]2CCC(C)C)c(C)c1[N+](=O)[O-] ZINC000130657020 636490958 /nfs/dbraw/zinc/49/09/58/636490958.db2.gz NCANEUZJWKJHCO-AWEZNQCLSA-N 1 1 294.399 3.266 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000885954353 637329607 /nfs/dbraw/zinc/32/96/07/637329607.db2.gz VPEKVDFIMUJJFT-VHDGCEQUSA-N 1 1 289.379 3.390 20 5 CGBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCC(C)(C)CC1 ZINC000886037339 637378439 /nfs/dbraw/zinc/37/84/39/637378439.db2.gz IERSBDSMEDGNKX-UHFFFAOYSA-N 1 1 277.368 3.390 20 5 CGBDMO Cc1coc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000886057792 637392260 /nfs/dbraw/zinc/39/22/60/637392260.db2.gz XNPJCGRLCQCPOY-NSHDSACASA-N 1 1 260.293 3.347 20 5 CGBDMO CCC1(CC)C[N@H+](Cc2cccnc2[N+](=O)[O-])CCS1 ZINC000886136708 637431096 /nfs/dbraw/zinc/43/10/96/637431096.db2.gz UVGCLNOXEYOVEA-UHFFFAOYSA-N 1 1 295.408 3.097 20 5 CGBDMO CCC1(CC)C[N@@H+](Cc2cccnc2[N+](=O)[O-])CCS1 ZINC000886136708 637431101 /nfs/dbraw/zinc/43/11/01/637431101.db2.gz UVGCLNOXEYOVEA-UHFFFAOYSA-N 1 1 295.408 3.097 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886560088 637581925 /nfs/dbraw/zinc/58/19/25/637581925.db2.gz MZFRNGMPBSNKNW-PHIMTYICSA-N 1 1 298.795 3.043 20 5 CGBDMO C[N@@H+](CCCF)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000887138860 637756278 /nfs/dbraw/zinc/75/62/78/637756278.db2.gz PBWOFCITJICJES-UHFFFAOYSA-N 1 1 260.696 3.040 20 5 CGBDMO C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000932181369 639289678 /nfs/dbraw/zinc/28/96/78/639289678.db2.gz PSCSOWQCUYQCFK-HIFRSBDPSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000047540495 640018221 /nfs/dbraw/zinc/01/82/21/640018221.db2.gz QQTDMSWQBVPAFM-JTQLQIEISA-N 1 1 252.289 3.108 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000252122995 640838389 /nfs/dbraw/zinc/83/83/89/640838389.db2.gz JPUOODSPAPTRSP-QWRGUYRKSA-N 1 1 266.316 3.354 20 5 CGBDMO C[NH+](C)/C=C/c1cc(N[C@@H]2CC=CCC2)ncc1[N+](=O)[O-] ZINC001161754464 806444561 /nfs/dbraw/zinc/44/45/61/806444561.db2.gz MPVURXVKPMJFFR-MMQHEFTJSA-N 1 1 288.351 3.043 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001254550279 806447357 /nfs/dbraw/zinc/44/73/57/806447357.db2.gz HCKSHZGFJGZAOJ-OLZOCXBDSA-N 1 1 262.353 3.258 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC001254550557 806448403 /nfs/dbraw/zinc/44/84/03/806448403.db2.gz LRYIYPQUYKQCOS-STQMWFEESA-N 1 1 262.353 3.400 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1nccs1 ZINC001254559510 806449129 /nfs/dbraw/zinc/44/91/29/806449129.db2.gz KFXARHGUCBGBNT-NSHDSACASA-N 1 1 291.376 3.114 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1nccs1 ZINC001254559510 806449134 /nfs/dbraw/zinc/44/91/34/806449134.db2.gz KFXARHGUCBGBNT-NSHDSACASA-N 1 1 291.376 3.114 20 5 CGBDMO COC[C@H]1CCCC[N@H+]1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254553094 806449878 /nfs/dbraw/zinc/44/98/78/806449878.db2.gz SCLZJBMQGPCFKH-UKRRQHHQSA-N 1 1 292.379 3.027 20 5 CGBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCOC1 ZINC000402616579 799563124 /nfs/dbraw/zinc/56/31/24/799563124.db2.gz ZTQQYIMZKIAMHY-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCOC1 ZINC000402616579 799563128 /nfs/dbraw/zinc/56/31/28/799563128.db2.gz ZTQQYIMZKIAMHY-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO Cc1[nH+]ccn1CCNc1cc2ccccc2c([N+](=O)[O-])c1 ZINC001163933008 806854516 /nfs/dbraw/zinc/85/45/16/806854516.db2.gz JIFYXRATIIAUQZ-UHFFFAOYSA-N 1 1 296.330 3.365 20 5 CGBDMO CC[N@@H+](Cc1cccs1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039796 807557131 /nfs/dbraw/zinc/55/71/31/807557131.db2.gz UBIRATXVKBRBBY-NEPJUHHUSA-N 1 1 268.382 3.015 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC1(F)F ZINC001173219837 808539802 /nfs/dbraw/zinc/53/98/02/808539802.db2.gz POYMDMOUFPFHCF-ZWNOBZJWSA-N 1 1 284.306 3.303 20 5 CGBDMO COC[C@@H]1CCCC[N@H+]1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222962 808539999 /nfs/dbraw/zinc/53/99/99/808539999.db2.gz VVJMSKBDMNBINZ-BBRMVZONSA-N 1 1 292.379 3.027 20 5 CGBDMO Cc1ncccc1C[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229945 808542836 /nfs/dbraw/zinc/54/28/36/808542836.db2.gz CEBNCOZBGIWJBB-ZDUSSCGKSA-N 1 1 299.374 3.361 20 5 CGBDMO CC(=O)Nc1cc(Nc2ccc(C)c([N+](=O)[O-])c2)cc[nH+]1 ZINC001213663763 815320185 /nfs/dbraw/zinc/32/01/85/815320185.db2.gz XGIJDSCDRHBUMD-UHFFFAOYSA-N 1 1 286.291 3.000 20 5 CGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1sccc1[N+](=O)[O-] ZINC001184998935 810228222 /nfs/dbraw/zinc/22/82/22/810228222.db2.gz IYEIVZXQBCAJLW-TUAOUCFPSA-N 1 1 297.424 3.435 20 5 CGBDMO CC(C)(C)[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001192481663 810802274 /nfs/dbraw/zinc/80/22/74/810802274.db2.gz OLIIVGHQEBTFRS-CYBMUJFWSA-N 1 1 292.379 3.342 20 5 CGBDMO CCOC1CC([N@@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001206055384 813184844 /nfs/dbraw/zinc/18/48/44/813184844.db2.gz KBPJGCLCCGULLQ-UHFFFAOYSA-N 1 1 292.379 3.211 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C/C=C\Cl ZINC001207738552 813642328 /nfs/dbraw/zinc/64/23/28/813642328.db2.gz CVJSONBQVULTDS-RJRFIUFISA-N 1 1 261.108 3.090 20 5 CGBDMO Cn1c[nH+]c2cccc(Nc3ccc(F)c([N+](=O)[O-])c3)c21 ZINC001211197378 814846216 /nfs/dbraw/zinc/84/62/16/814846216.db2.gz ZKLNEKYJQQHAPX-UHFFFAOYSA-N 1 1 286.266 3.364 20 5 CGBDMO Cc1c(CO[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC001223331852 816607060 /nfs/dbraw/zinc/60/70/60/816607060.db2.gz PMZOGQOYHCODBR-QDMKHBRRSA-N 1 1 290.363 3.045 20 5 CGBDMO CC(C)[N@H+]1CC[C@H](O[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001223428067 816628867 /nfs/dbraw/zinc/62/88/67/816628867.db2.gz BTRAWLXUFXXMHE-DOMZBBRYSA-N 1 1 278.352 3.155 20 5 CGBDMO CC[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001226761756 817456358 /nfs/dbraw/zinc/45/63/58/817456358.db2.gz DYBVFDUSEQDRTM-NSHDSACASA-N 1 1 284.743 3.111 20 5 CGBDMO Cc1ccc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc1[N+](=O)[O-] ZINC001226953239 817516246 /nfs/dbraw/zinc/51/62/46/817516246.db2.gz WSULKQNNNBDJMM-YWVIFJGQSA-N 1 1 290.363 3.012 20 5 CGBDMO CC(C)[N@H+]1CC[C@H](Oc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001228001122 817779505 /nfs/dbraw/zinc/77/95/05/817779505.db2.gz RXFUVFGWLGQAAF-JTQLQIEISA-N 1 1 284.743 3.110 20 5 CGBDMO CC[N@H+]1CCC[C@@H](Oc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001228000456 817779597 /nfs/dbraw/zinc/77/95/97/817779597.db2.gz LQKVYWWPFXZRFB-SNVBAGLBSA-N 1 1 284.743 3.111 20 5 CGBDMO CC[N@H+]1CCC[C@H](Oc2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC001228570624 817941312 /nfs/dbraw/zinc/94/13/12/817941312.db2.gz GCJMMZVOFFEMNW-AWEZNQCLSA-N 1 1 278.352 3.075 20 5 CGBDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001228758842 818000780 /nfs/dbraw/zinc/00/07/80/818000780.db2.gz MZHFSPPUHLTDPE-LLVKDONJSA-N 1 1 284.743 3.110 20 5 CGBDMO Cc1cc(F)c(O[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001234062239 818771420 /nfs/dbraw/zinc/77/14/20/818771420.db2.gz ZDQZIKMTWKRSAC-GFCCVEGCSA-N 1 1 296.342 3.294 20 5 CGBDMO CC(C)[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917025811 927608849 /nfs/dbraw/zinc/60/88/49/927608849.db2.gz PUUFRBCYCIDRHT-SNVBAGLBSA-N 1 1 254.305 3.210 20 5 CGBDMO CC[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC001559769773 937211074 /nfs/dbraw/zinc/21/10/74/937211074.db2.gz SGSDWOQDCREPTE-WDEREUQCSA-N 1 1 266.316 3.354 20 5 CGBDMO Cc1cc(O[C@@H]2CCC[N@H+](C)CC2)c([N+](=O)[O-])cc1Cl ZINC001229974477 932513634 /nfs/dbraw/zinc/51/36/34/932513634.db2.gz GFZPXRAACCPFPW-LLVKDONJSA-N 1 1 298.770 3.420 20 5 CGBDMO CC[N@H+]1CCC[C@@H](Oc2cc(C)c(Cl)cc2[N+](=O)[O-])C1 ZINC001229975200 932515437 /nfs/dbraw/zinc/51/54/37/932515437.db2.gz MKBDQDYKAIKHRQ-LLVKDONJSA-N 1 1 298.770 3.420 20 5 CGBDMO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CCC[N@H+](C)CC1 ZINC001230723596 932615022 /nfs/dbraw/zinc/61/50/22/932615022.db2.gz LZFFMIMYOQHFTN-CYBMUJFWSA-N 1 1 278.352 3.075 20 5 CGBDMO Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001231061948 932670135 /nfs/dbraw/zinc/67/01/35/932670135.db2.gz WLDCBCAOWBWVFB-CQSZACIVSA-N 1 1 292.379 3.463 20 5 CGBDMO Cc1cn2cc(Nc3ccsc3[N+](=O)[O-])ccc2[nH+]1 ZINC001472702140 937781049 /nfs/dbraw/zinc/78/10/49/937781049.db2.gz QZCAZGNVXMYUEV-UHFFFAOYSA-N 1 1 274.305 3.356 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC001329878016 935250768 /nfs/dbraw/zinc/25/07/68/935250768.db2.gz KIOBFQBBMVCPRB-BZPMIXESSA-N 1 1 272.348 3.347 20 5 CGBDMO Cc1cc(C)c(COc2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC001559327765 938225270 /nfs/dbraw/zinc/22/52/70/938225270.db2.gz UQTATZWZTVPNPB-UHFFFAOYSA-N 1 1 272.304 3.494 20 5 CGBDMO Cc1cc(OC2CC[NH+](CCF)CC2)cc([N+](=O)[O-])c1C ZINC001230471512 957848257 /nfs/dbraw/zinc/84/82/57/957848257.db2.gz JFYRNWRASMGIPC-UHFFFAOYSA-N 1 1 296.342 3.024 20 5 CGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC001559183850 960605464 /nfs/dbraw/zinc/60/54/64/960605464.db2.gz LMBONZNNTVFSEV-AWEZNQCLSA-N 1 1 295.358 3.266 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591062231 346898288 /nfs/dbraw/zinc/89/82/88/346898288.db2.gz YIJSETVZPOVTGP-LBPRGKRZSA-N 1 1 278.327 3.356 20 5 CGBDMO CC[C@@H](CSC)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000358740135 529527702 /nfs/dbraw/zinc/52/77/02/529527702.db2.gz WAKJVTJNCUUMSE-LBPRGKRZSA-N 1 1 298.408 3.047 20 5 CGBDMO CN(C)c1ccccc1C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000507115508 282300761 /nfs/dbraw/zinc/30/07/61/282300761.db2.gz IOIXOAXHZSVLCK-UHFFFAOYSA-N 1 1 299.374 3.293 20 5 CGBDMO CC1(CC(F)F)C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000592525966 346996578 /nfs/dbraw/zinc/99/65/78/346996578.db2.gz PHKXCNSNOJOYJH-UHFFFAOYSA-N 1 1 270.279 3.072 20 5 CGBDMO CC(C)O[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000593055882 347033299 /nfs/dbraw/zinc/03/32/99/347033299.db2.gz STDVKHUAHVEWLS-GFCCVEGCSA-N 1 1 284.381 3.046 20 5 CGBDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000593055882 347033303 /nfs/dbraw/zinc/03/33/03/347033303.db2.gz STDVKHUAHVEWLS-GFCCVEGCSA-N 1 1 284.381 3.046 20 5 CGBDMO CC[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000058933347 345204318 /nfs/dbraw/zinc/20/43/18/345204318.db2.gz RCCCTRWLSWEDOI-ZDUSSCGKSA-N 1 1 278.352 3.096 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ccncc1[N+](=O)[O-] ZINC000066809058 345306732 /nfs/dbraw/zinc/30/67/32/345306732.db2.gz CHDIRRAZQJLHRZ-CYBMUJFWSA-N 1 1 292.383 3.056 20 5 CGBDMO Cc1[nH+]c2cc(Nc3cc(C)c([N+](=O)[O-])cn3)ccc2n1C ZINC000074768703 345481305 /nfs/dbraw/zinc/48/13/05/345481305.db2.gz XITZJLYYKALRMQ-UHFFFAOYSA-N 1 1 297.318 3.237 20 5 CGBDMO CCOC[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075743812 345521593 /nfs/dbraw/zinc/52/15/93/345521593.db2.gz OVVIAUKXPJPKSI-KBPBESRZSA-N 1 1 292.379 3.404 20 5 CGBDMO Cc1[nH+]ccn1CCCCNc1ccc([N+](=O)[O-])s1 ZINC000078336227 345601276 /nfs/dbraw/zinc/60/12/76/345601276.db2.gz TWHRPBRHIVJZKZ-UHFFFAOYSA-N 1 1 280.353 3.054 20 5 CGBDMO Cc1cc(NC[C@H]2CCC[N@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000091482703 345816553 /nfs/dbraw/zinc/81/65/53/345816553.db2.gz YZEZTRFDDMCZSR-LLVKDONJSA-N 1 1 297.786 3.310 20 5 CGBDMO Cc1c([C@@H](C)[NH2+]Cc2ncccc2F)cccc1[N+](=O)[O-] ZINC000090720592 345792277 /nfs/dbraw/zinc/79/22/77/345792277.db2.gz SCGWMOCRXTVBSV-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccoc2)c(Cl)c1 ZINC000168125219 232264884 /nfs/dbraw/zinc/26/48/84/232264884.db2.gz YMMTZOMAIZPJLK-UHFFFAOYSA-N 1 1 266.684 3.131 20 5 CGBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccoc1 ZINC000102407702 345916116 /nfs/dbraw/zinc/91/61/16/345916116.db2.gz AOANUOHKBQNBMT-UHFFFAOYSA-N 1 1 274.320 3.252 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](C3CC3)C2)c(F)c1 ZINC000351761003 219199218 /nfs/dbraw/zinc/19/92/18/219199218.db2.gz VVBRCJBIIHXIAN-JTQLQIEISA-N 1 1 282.290 3.105 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](C3CC3)C2)c(F)c1 ZINC000351761003 219199221 /nfs/dbraw/zinc/19/92/21/219199221.db2.gz VVBRCJBIIHXIAN-JTQLQIEISA-N 1 1 282.290 3.105 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(C)(C)C ZINC000339252539 215042331 /nfs/dbraw/zinc/04/23/31/215042331.db2.gz GRXJJXQZRXYGMK-UHFFFAOYSA-N 1 1 266.341 3.081 20 5 CGBDMO Cc1noc(C[N@H+]2CCC[C@@H]2C2CCCC2)c1[N+](=O)[O-] ZINC000595294193 347288636 /nfs/dbraw/zinc/28/86/36/347288636.db2.gz WGTADBBEOXDIFO-GFCCVEGCSA-N 1 1 279.340 3.046 20 5 CGBDMO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC(C)C ZINC000595294726 347288723 /nfs/dbraw/zinc/28/87/23/347288723.db2.gz DAAGWQYTLQWSDO-UHFFFAOYSA-N 1 1 254.305 3.212 20 5 CGBDMO CCCC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595299613 347289441 /nfs/dbraw/zinc/28/94/41/347289441.db2.gz WDSYYEADLDDWQZ-UHFFFAOYSA-N 1 1 266.316 3.498 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000595317007 347290958 /nfs/dbraw/zinc/29/09/58/347290958.db2.gz KQZOPJKPSMILMP-GFCCVEGCSA-N 1 1 290.294 3.316 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000595755121 347350829 /nfs/dbraw/zinc/35/08/29/347350829.db2.gz GSQBZZBRSNVFLG-AWEZNQCLSA-N 1 1 280.343 3.209 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000595516141 347314413 /nfs/dbraw/zinc/31/44/13/347314413.db2.gz FZSMDMJGFDIEHU-AWEZNQCLSA-N 1 1 296.367 3.061 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000595516141 347314415 /nfs/dbraw/zinc/31/44/15/347314415.db2.gz FZSMDMJGFDIEHU-AWEZNQCLSA-N 1 1 296.367 3.061 20 5 CGBDMO Cc1cc(N[C@@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])s1 ZINC000596236877 347402238 /nfs/dbraw/zinc/40/22/38/347402238.db2.gz NQOQQZGKXWREJD-VIFPVBQESA-N 1 1 271.386 3.105 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000596307325 347414241 /nfs/dbraw/zinc/41/42/41/347414241.db2.gz KPBNSOFCZFOZQE-NSHDSACASA-N 1 1 295.358 3.266 20 5 CGBDMO CC12CC(C1)C[N@@H+]2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595915199 347372409 /nfs/dbraw/zinc/37/24/09/347372409.db2.gz LJIGIZMZXCUUTQ-UHFFFAOYSA-N 1 1 266.728 3.233 20 5 CGBDMO CC12CC(C1)C[N@H+]2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595915199 347372413 /nfs/dbraw/zinc/37/24/13/347372413.db2.gz LJIGIZMZXCUUTQ-UHFFFAOYSA-N 1 1 266.728 3.233 20 5 CGBDMO Cc1cc(N[C@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000596335106 347421751 /nfs/dbraw/zinc/42/17/51/347421751.db2.gz DXONRAXDWDAEOQ-JTQLQIEISA-N 1 1 283.397 3.249 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552029 347753300 /nfs/dbraw/zinc/75/33/00/347753300.db2.gz CUPVYRAWUKMSLN-OLZOCXBDSA-N 1 1 278.377 3.065 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH+](C2CC2)C2CC2)c(Cl)c1 ZINC000599600092 347757402 /nfs/dbraw/zinc/75/74/02/347757402.db2.gz NMTVMRSSDWLUNJ-UHFFFAOYSA-N 1 1 266.728 3.375 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000600190170 347791846 /nfs/dbraw/zinc/79/18/46/347791846.db2.gz MKDWYSNMFCSRNM-CABCVRRESA-N 1 1 292.404 3.373 20 5 CGBDMO O=[N+]([O-])c1ccc(-c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000600788204 347835563 /nfs/dbraw/zinc/83/55/63/347835563.db2.gz KRERRBFNAXIZHK-UHFFFAOYSA-N 1 1 298.342 3.094 20 5 CGBDMO CS[C@@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601169509 347877604 /nfs/dbraw/zinc/87/76/04/347877604.db2.gz BQSLAIXHNORLQL-LLVKDONJSA-N 1 1 289.360 3.085 20 5 CGBDMO COC[C@@]1(C)CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000295146904 199372028 /nfs/dbraw/zinc/37/20/28/199372028.db2.gz QPBKQRKAJONCOZ-AWEZNQCLSA-N 1 1 298.770 3.107 20 5 CGBDMO Cc1noc(C[N@H+]2CCC[C@H](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000602999769 348053787 /nfs/dbraw/zinc/05/37/87/348053787.db2.gz NQTIJQWUVYZXAJ-ZDUSSCGKSA-N 1 1 293.367 3.293 20 5 CGBDMO CCCC[N@@H+](CC)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604012169 348106591 /nfs/dbraw/zinc/10/65/91/348106591.db2.gz FZSQSANSDDXVAY-UHFFFAOYSA-N 1 1 280.368 3.486 20 5 CGBDMO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCC1 ZINC000610001982 348360198 /nfs/dbraw/zinc/36/01/98/348360198.db2.gz RDEBYPUBZZJTMR-UHFFFAOYSA-N 1 1 252.289 3.108 20 5 CGBDMO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCC1 ZINC000610001982 348360202 /nfs/dbraw/zinc/36/02/02/348360202.db2.gz RDEBYPUBZZJTMR-UHFFFAOYSA-N 1 1 252.289 3.108 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCCn3cc[nH+]c32)c1 ZINC000610958321 348411990 /nfs/dbraw/zinc/41/19/90/348411990.db2.gz KCEAOXJHUHMBTM-GFCCVEGCSA-N 1 1 286.335 3.089 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(C)(C)OCC1(C)C ZINC000612578528 348529844 /nfs/dbraw/zinc/52/98/44/348529844.db2.gz QFJROERKTOPYMA-UHFFFAOYSA-N 1 1 292.379 3.293 20 5 CGBDMO C[C@@H]1CC[C@@H](C)[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000352004396 219287287 /nfs/dbraw/zinc/28/72/87/219287287.db2.gz PKEVEVDKJRWKHO-NXEZZACHSA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000352004396 219287288 /nfs/dbraw/zinc/28/72/88/219287288.db2.gz PKEVEVDKJRWKHO-NXEZZACHSA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1C ZINC000123060601 187068873 /nfs/dbraw/zinc/06/88/73/187068873.db2.gz QERBFVXASQJVRU-QWRGUYRKSA-N 1 1 289.335 3.214 20 5 CGBDMO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC1CC1 ZINC000122997889 187065151 /nfs/dbraw/zinc/06/51/51/187065151.db2.gz PDGHABCZHDAONI-UHFFFAOYSA-N 1 1 299.168 3.199 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccn(C)n2)cc1[N+](=O)[O-] ZINC000414099395 235336008 /nfs/dbraw/zinc/33/60/08/235336008.db2.gz UMWIDKQNCIMJHW-NEPJUHHUSA-N 1 1 288.351 3.049 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC2(CCC2)C1 ZINC000123585352 138368681 /nfs/dbraw/zinc/36/86/81/138368681.db2.gz PWGXHOMPJCCVCC-UHFFFAOYSA-N 1 1 264.300 3.110 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1=CCCOC1 ZINC000179320552 189185772 /nfs/dbraw/zinc/18/57/72/189185772.db2.gz KYVHNEWHKFBABF-UHFFFAOYSA-N 1 1 290.363 3.152 20 5 CGBDMO Cc1c(C[N@@H+]2CC[C@@H](OCC(C)C)C2)cccc1[N+](=O)[O-] ZINC000119504851 370681134 /nfs/dbraw/zinc/68/11/34/370681134.db2.gz LUEPYWLFCAVFPE-OAHLLOKOSA-N 1 1 292.379 3.150 20 5 CGBDMO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000453250641 240795053 /nfs/dbraw/zinc/79/50/53/240795053.db2.gz YHFVKNSUCCKMIV-FZMZJTMJSA-N 1 1 288.351 3.130 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000537651146 376192036 /nfs/dbraw/zinc/19/20/36/376192036.db2.gz YIZJKIFZEZTANC-SJDLMVEWSA-N 1 1 272.348 3.340 20 5 CGBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000482859627 243247473 /nfs/dbraw/zinc/24/74/73/243247473.db2.gz SHFXPMPUTXCNHL-VHSXEESVSA-N 1 1 268.744 3.479 20 5 CGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000482952989 243254316 /nfs/dbraw/zinc/25/43/16/243254316.db2.gz VWBVLIJCWZYIDZ-KRWDZBQOSA-N 1 1 298.342 3.421 20 5 CGBDMO CCOc1cccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000037679643 369099767 /nfs/dbraw/zinc/09/97/67/369099767.db2.gz LCJLXAPRKSQLBW-UHFFFAOYSA-N 1 1 292.360 3.345 20 5 CGBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1CC1 ZINC000037925511 369126387 /nfs/dbraw/zinc/12/63/87/369126387.db2.gz YTHZXFXBMMTILS-UHFFFAOYSA-N 1 1 254.717 3.090 20 5 CGBDMO COCc1ccccc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037762858 369105877 /nfs/dbraw/zinc/10/58/77/369105877.db2.gz NTKBFNJAZVNSKE-UHFFFAOYSA-N 1 1 292.360 3.093 20 5 CGBDMO CCOc1cc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492719855 244013109 /nfs/dbraw/zinc/01/31/09/244013109.db2.gz GCYTWPGKBFKVLB-CHWSQXEVSA-N 1 1 292.379 3.471 20 5 CGBDMO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276269512 193265866 /nfs/dbraw/zinc/26/58/66/193265866.db2.gz CPCMUIUSJLNUMB-NSHDSACASA-N 1 1 289.310 3.322 20 5 CGBDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276269512 193265867 /nfs/dbraw/zinc/26/58/67/193265867.db2.gz CPCMUIUSJLNUMB-NSHDSACASA-N 1 1 289.310 3.322 20 5 CGBDMO Cc1c([C@@H](C)NC[C@H](C)[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000130967420 371072850 /nfs/dbraw/zinc/07/28/50/371072850.db2.gz CAHREGFJBWQZKJ-WCQYABFASA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1c([C@@H](C)NC[C@H](C)[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000130967420 371072853 /nfs/dbraw/zinc/07/28/53/371072853.db2.gz CAHREGFJBWQZKJ-WCQYABFASA-N 1 1 291.395 3.037 20 5 CGBDMO CC(C)OCCC[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000344190109 217091405 /nfs/dbraw/zinc/09/14/05/217091405.db2.gz RAAXKGSSDPVLRP-CYBMUJFWSA-N 1 1 280.368 3.403 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000428457825 372209680 /nfs/dbraw/zinc/20/96/80/372209680.db2.gz KNVOLOZLOKBLSU-SWLSCSKDSA-N 1 1 260.337 3.278 20 5 CGBDMO CC[N@@H+](C)C[C@@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000432313158 372557208 /nfs/dbraw/zinc/55/72/08/372557208.db2.gz QMWPCPIBUBDUQX-NSHDSACASA-N 1 1 297.786 3.026 20 5 CGBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000432335972 372561581 /nfs/dbraw/zinc/56/15/81/372561581.db2.gz OJYWUASXNBVNFL-NSHDSACASA-N 1 1 297.786 3.026 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1(C)C ZINC000449495909 373792046 /nfs/dbraw/zinc/79/20/46/373792046.db2.gz FLNDBIFLMABRQX-HNNXBMFYSA-N 1 1 292.379 3.150 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCOCC1CC1 ZINC000182842098 374334224 /nfs/dbraw/zinc/33/42/24/374334224.db2.gz KMKPKBOAZJZBGS-CYBMUJFWSA-N 1 1 292.379 3.323 20 5 CGBDMO CC(C)[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000464770360 374897102 /nfs/dbraw/zinc/89/71/02/374897102.db2.gz JPWIIZFCNGQJJC-OAHLLOKOSA-N 1 1 294.420 3.211 20 5 CGBDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000475722573 375136470 /nfs/dbraw/zinc/13/64/70/375136470.db2.gz HPMCQGZJOXPBRC-UPJWGTAASA-N 1 1 262.353 3.461 20 5 CGBDMO CC[C@H](Nc1[nH+]cnc2[nH]ccc21)c1cccc([N+](=O)[O-])c1 ZINC000487658097 375266099 /nfs/dbraw/zinc/26/60/99/375266099.db2.gz QTFUOCVAGYTJDV-ZDUSSCGKSA-N 1 1 297.318 3.429 20 5 CGBDMO CCC1(CC)CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000190412348 375507114 /nfs/dbraw/zinc/50/71/14/375507114.db2.gz SCIXJNNGSAMABS-UHFFFAOYSA-N 1 1 294.399 3.084 20 5 CGBDMO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000508585702 375750551 /nfs/dbraw/zinc/75/05/51/375750551.db2.gz DVKHAWHWKQABBE-UHFFFAOYSA-N 1 1 250.342 3.463 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc2ccccc2n1 ZINC000336852608 376012270 /nfs/dbraw/zinc/01/22/70/376012270.db2.gz URDUAIJWDWBHIH-UHFFFAOYSA-N 1 1 293.326 3.433 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000336829437 375989358 /nfs/dbraw/zinc/98/93/58/375989358.db2.gz AJJNEIRDQWUNSI-NHYWBVRUSA-N 1 1 278.327 3.498 20 5 CGBDMO COc1ccc(C[N@H+]2C[C@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000541326107 376437315 /nfs/dbraw/zinc/43/73/15/376437315.db2.gz UFMHXTYUMRJJSQ-GFCCVEGCSA-N 1 1 292.379 3.471 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339670353 376798924 /nfs/dbraw/zinc/79/89/24/376798924.db2.gz BNZYQYQTHGQXCZ-GFCCVEGCSA-N 1 1 278.327 3.356 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000245517149 376839981 /nfs/dbraw/zinc/83/99/81/376839981.db2.gz GQBMUVGDCQQLKB-WOSRLPQWSA-N 1 1 292.379 3.057 20 5 CGBDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000556866690 376891684 /nfs/dbraw/zinc/89/16/84/376891684.db2.gz HQBHQIPDHACPHT-TYNCELHUSA-N 1 1 290.363 3.453 20 5 CGBDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000556866690 376891689 /nfs/dbraw/zinc/89/16/89/376891689.db2.gz HQBHQIPDHACPHT-TYNCELHUSA-N 1 1 290.363 3.453 20 5 CGBDMO COc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000247695954 377233695 /nfs/dbraw/zinc/23/36/95/377233695.db2.gz WSJGAGQLKZHGKW-UONOGXRCSA-N 1 1 290.363 3.368 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000250115082 377551774 /nfs/dbraw/zinc/55/17/74/377551774.db2.gz OODRIBXZMSJCDX-NWDGAFQWSA-N 1 1 278.352 3.155 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000250115082 377551782 /nfs/dbraw/zinc/55/17/82/377551782.db2.gz OODRIBXZMSJCDX-NWDGAFQWSA-N 1 1 278.352 3.155 20 5 CGBDMO Cc1ccc(C[N@@H+]2CCCc3occc3C2)cc1[N+](=O)[O-] ZINC000516215104 249228925 /nfs/dbraw/zinc/22/89/25/249228925.db2.gz GOTZIFOEBJGTJP-UHFFFAOYSA-N 1 1 286.331 3.445 20 5 CGBDMO Cc1ccc(C[N@H+]2CCCc3occc3C2)cc1[N+](=O)[O-] ZINC000516215104 249228927 /nfs/dbraw/zinc/22/89/27/249228927.db2.gz GOTZIFOEBJGTJP-UHFFFAOYSA-N 1 1 286.331 3.445 20 5 CGBDMO CC(C)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000255642087 377773241 /nfs/dbraw/zinc/77/32/41/377773241.db2.gz ZNMVBHKLEOXXFJ-ALCCZGGFSA-N 1 1 260.337 3.481 20 5 CGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1C1CCC1 ZINC000343004330 377879968 /nfs/dbraw/zinc/87/99/68/377879968.db2.gz FYQBEPLXSDJBEO-CQSZACIVSA-N 1 1 290.363 3.238 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCC3(CCOCC3)C2)cs1 ZINC000265979030 190219944 /nfs/dbraw/zinc/21/99/44/190219944.db2.gz AMSIWLPVWMFVIO-UHFFFAOYSA-N 1 1 296.392 3.049 20 5 CGBDMO CC[N@@H+](Cc1ccncc1)Cc1cccc([N+](=O)[O-])c1C ZINC000270977049 378419529 /nfs/dbraw/zinc/41/95/29/378419529.db2.gz FEOACIIGPGOCFV-UHFFFAOYSA-N 1 1 285.347 3.320 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000347607953 218289476 /nfs/dbraw/zinc/28/94/76/218289476.db2.gz UEZNIZDCULVCEL-GHMZBOCLSA-N 1 1 266.316 3.212 20 5 CGBDMO COc1cc(C[N@H+]2C[C@H](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000352541602 379850700 /nfs/dbraw/zinc/85/07/00/379850700.db2.gz ZTMLWWJCGGBHFD-LLVKDONJSA-N 1 1 278.352 3.224 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccns2)cc1[N+](=O)[O-] ZINC000404278110 379980602 /nfs/dbraw/zinc/98/06/02/379980602.db2.gz MJQYTWLYVUUUMJ-SNVBAGLBSA-N 1 1 277.349 3.211 20 5 CGBDMO Cc1ccnc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000286295195 380190795 /nfs/dbraw/zinc/19/07/95/380190795.db2.gz WKQUDVZQYZHBJB-LBPRGKRZSA-N 1 1 271.320 3.149 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000354108593 380328317 /nfs/dbraw/zinc/32/83/17/380328317.db2.gz VZEPSXBBPBWKQF-CQSZACIVSA-N 1 1 260.337 3.135 20 5 CGBDMO COCCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000418139131 380713369 /nfs/dbraw/zinc/71/33/69/380713369.db2.gz DLOAAPVHQIHEOO-UHFFFAOYSA-N 1 1 286.759 3.107 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC(C2CCC2)C1 ZINC000348711917 218708774 /nfs/dbraw/zinc/70/87/74/218708774.db2.gz SLMJQAXFFVPCEA-UHFFFAOYSA-N 1 1 290.363 3.225 20 5 CGBDMO Cc1ccncc1C[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000361424772 381742102 /nfs/dbraw/zinc/74/21/02/381742102.db2.gz KZYFPUIUVZABEO-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO Cc1ccncc1C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000361424772 381742109 /nfs/dbraw/zinc/74/21/09/381742109.db2.gz KZYFPUIUVZABEO-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CCC1 ZINC000362315837 381941472 /nfs/dbraw/zinc/94/14/72/381941472.db2.gz IQHOGFUIGJIEPQ-UHFFFAOYSA-N 1 1 282.315 3.117 20 5 CGBDMO Cc1noc(C)c1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037775662 184542219 /nfs/dbraw/zinc/54/22/19/184542219.db2.gz IQVPEOBUXSFSCO-VIFPVBQESA-N 1 1 275.308 3.050 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2CCCCO2)C2CC2)cc1 ZINC000129994568 285112056 /nfs/dbraw/zinc/11/20/56/285112056.db2.gz PSAQCJUAMAIRAI-INIZCTEOSA-N 1 1 290.363 3.128 20 5 CGBDMO CCC[C@]1(CO)CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000288849776 197179272 /nfs/dbraw/zinc/17/92/72/197179272.db2.gz PBSIWBDFZVKMNQ-CJNGLKHVSA-N 1 1 292.379 3.140 20 5 CGBDMO CCC[C@@]1(CO)CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000288849783 197179076 /nfs/dbraw/zinc/17/90/76/197179076.db2.gz PBSIWBDFZVKMNQ-XJKSGUPXSA-N 1 1 292.379 3.140 20 5 CGBDMO CSCCC[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000439479510 533563921 /nfs/dbraw/zinc/56/39/21/533563921.db2.gz UQTMGHYLSPVHCA-UHFFFAOYSA-N 1 1 288.800 3.433 20 5 CGBDMO COc1ccc(C[N@@H+](CC(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000060857084 392123629 /nfs/dbraw/zinc/12/36/29/392123629.db2.gz APXWTVSGHRATJZ-UHFFFAOYSA-N 1 1 280.368 3.470 20 5 CGBDMO CCOCC[N@@H+](CC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000107062081 392314892 /nfs/dbraw/zinc/31/48/92/392314892.db2.gz GSKLIMLTNJTGPD-UHFFFAOYSA-N 1 1 286.759 3.107 20 5 CGBDMO COCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000361647222 392284954 /nfs/dbraw/zinc/28/49/54/392284954.db2.gz XJMJSNXEUIIKPL-UKRRQHHQSA-N 1 1 292.379 3.232 20 5 CGBDMO C[C@@H]1Cc2c([nH+]cn2CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000319810216 392670790 /nfs/dbraw/zinc/67/07/90/392670790.db2.gz RHJSGKDMGCCUDA-QWHCGFSZSA-N 1 1 299.374 3.405 20 5 CGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331417995 392694337 /nfs/dbraw/zinc/69/43/37/392694337.db2.gz DKHUMSJWEHGHTP-QMTHXVAHSA-N 1 1 288.351 3.092 20 5 CGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464690440 392974417 /nfs/dbraw/zinc/97/44/17/392974417.db2.gz QTNXUSCBGOZMBT-CMPLNLGQSA-N 1 1 296.342 3.363 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@](C)(F)C1 ZINC000470175725 393229991 /nfs/dbraw/zinc/22/99/91/393229991.db2.gz FKLJLQCFKDHMKU-PINLSGDHSA-N 1 1 278.327 3.432 20 5 CGBDMO CCOCC[N@@H+](CC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470183554 393231388 /nfs/dbraw/zinc/23/13/88/393231388.db2.gz OEOAUGDJHYGRRW-SDNWHVSQSA-N 1 1 292.379 3.357 20 5 CGBDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430213252 393540754 /nfs/dbraw/zinc/54/07/54/393540754.db2.gz SNFBAQDEMLQQBD-GFCCVEGCSA-N 1 1 298.408 3.177 20 5 CGBDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000429568800 393484365 /nfs/dbraw/zinc/48/43/65/393484365.db2.gz PNVLOTCDSGZINY-JQWIXIFHSA-N 1 1 266.316 3.354 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC1CCC1 ZINC000430237390 393545961 /nfs/dbraw/zinc/54/59/61/393545961.db2.gz ISNAOIXXYHJYGV-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430239160 393546495 /nfs/dbraw/zinc/54/64/95/393546495.db2.gz MVSWZRYLKZFOEU-YPMHNXCESA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@H]1C ZINC000493312799 393770498 /nfs/dbraw/zinc/77/04/98/393770498.db2.gz ZVTVZAGSCOHCFQ-ZJUUUORDSA-N 1 1 268.744 3.479 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC12CCC2 ZINC000446844748 393863182 /nfs/dbraw/zinc/86/31/82/393863182.db2.gz IOPWPQMKNITOKO-UHFFFAOYSA-N 1 1 260.337 3.422 20 5 CGBDMO CC(C)[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCC1 ZINC000077357040 165119421 /nfs/dbraw/zinc/11/94/21/165119421.db2.gz YDTPABKESSSNKL-UHFFFAOYSA-N 1 1 266.316 3.497 20 5 CGBDMO CC(C)[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCC1 ZINC000077357097 165122067 /nfs/dbraw/zinc/12/20/67/165122067.db2.gz SFRGPZFHMFOOAJ-UHFFFAOYSA-N 1 1 254.355 3.419 20 5 CGBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000285439502 196284684 /nfs/dbraw/zinc/28/46/84/196284684.db2.gz CUGAXYXOJCSLDB-WCQYABFASA-N 1 1 298.408 3.172 20 5 CGBDMO CC[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000040503219 174300119 /nfs/dbraw/zinc/30/01/19/174300119.db2.gz BWBCDHKWBOTITL-JTQLQIEISA-N 1 1 283.759 3.144 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2F)cc1 ZINC000020053080 416444762 /nfs/dbraw/zinc/44/47/62/416444762.db2.gz DYCAWCVMOLEAMJ-UHFFFAOYSA-N 1 1 260.268 3.024 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]2Cc2ccccc2)cc1 ZINC000530756398 270202590 /nfs/dbraw/zinc/20/25/90/270202590.db2.gz FAQBUTWOZYWIKI-KRWDZBQOSA-N 1 1 282.343 3.412 20 5 CGBDMO COc1ccc(C[N@H+]2CC[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000532038448 270213048 /nfs/dbraw/zinc/21/30/48/270213048.db2.gz MTFUSGBHWMVYFQ-ZDUSSCGKSA-N 1 1 278.352 3.081 20 5 CGBDMO COc1ccc(C[N@H+]2CC[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000532780098 270219618 /nfs/dbraw/zinc/21/96/18/270219618.db2.gz SMNJJIFITOPBMQ-STQMWFEESA-N 1 1 292.379 3.471 20 5 CGBDMO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000425527154 274303215 /nfs/dbraw/zinc/30/32/15/274303215.db2.gz ZAXXJBQZWBTFNN-GHMZBOCLSA-N 1 1 288.351 3.092 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000425527154 274303216 /nfs/dbraw/zinc/30/32/16/274303216.db2.gz ZAXXJBQZWBTFNN-GHMZBOCLSA-N 1 1 288.351 3.092 20 5 CGBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cncs1 ZINC000271839705 278379468 /nfs/dbraw/zinc/37/94/68/278379468.db2.gz VSUNOCQFEDWRSD-NXEZZACHSA-N 1 1 277.349 3.463 20 5 CGBDMO CC(C)C[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000500457968 279026059 /nfs/dbraw/zinc/02/60/59/279026059.db2.gz PDHHDXZHMXNULF-AWEZNQCLSA-N 1 1 292.379 3.484 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+](CC2(F)CC2)C2CC2)c1 ZINC000527509555 288173672 /nfs/dbraw/zinc/17/36/72/288173672.db2.gz WAFCDEDXMUQENN-UHFFFAOYSA-N 1 1 264.300 3.061 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CC2(F)CC2)C2CC2)c1 ZINC000527509555 288173673 /nfs/dbraw/zinc/17/36/73/288173673.db2.gz WAFCDEDXMUQENN-UHFFFAOYSA-N 1 1 264.300 3.061 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451195946 281021902 /nfs/dbraw/zinc/02/19/02/281021902.db2.gz MNJPROMQMCFLFO-QWRGUYRKSA-N 1 1 252.289 3.008 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451195946 281021905 /nfs/dbraw/zinc/02/19/05/281021905.db2.gz MNJPROMQMCFLFO-QWRGUYRKSA-N 1 1 252.289 3.008 20 5 CGBDMO Cc1ccccc1[C@@H](C)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332538134 281355419 /nfs/dbraw/zinc/35/54/19/281355419.db2.gz WFCXXCMKXFVJDU-CYBMUJFWSA-N 1 1 297.358 3.418 20 5 CGBDMO Cc1ccccc1[C@@H](C)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332538134 281355422 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C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOCC2(CCC2)C1 ZINC000368856373 534093595 /nfs/dbraw/zinc/09/35/95/534093595.db2.gz OSRAPCWJEJLCAW-ZDUSSCGKSA-N 1 1 290.363 3.158 20 5 CGBDMO C[C@@H]1C[C@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000488357947 518180846 /nfs/dbraw/zinc/18/08/46/518180846.db2.gz QMLFCWDNTDWTCY-YPMHNXCESA-N 1 1 260.337 3.215 20 5 CGBDMO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000427831139 534657807 /nfs/dbraw/zinc/65/78/07/534657807.db2.gz ITHABBWEARFEMJ-RYUDHWBXSA-N 1 1 286.335 3.105 20 5 CGBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCC1CC1 ZINC000355036439 528576049 /nfs/dbraw/zinc/57/60/49/528576049.db2.gz JHTOYAVQZSEZDN-UHFFFAOYSA-N 1 1 278.352 3.096 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000441174951 528886860 /nfs/dbraw/zinc/88/68/60/528886860.db2.gz KGBSFSBTXRXRPZ-GFCCVEGCSA-N 1 1 296.367 3.103 20 5 CGBDMO CC[C@@H]([NH2+][C@H](C)c1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000414119104 529205699 /nfs/dbraw/zinc/20/56/99/529205699.db2.gz WEBJGPJRTDBBRE-BXUZGUMPSA-N 1 1 288.351 3.130 20 5 CGBDMO CCC(CC)[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000750054938 571737736 /nfs/dbraw/zinc/73/77/36/571737736.db2.gz VUBXQNOYRXVIRH-MRXNPFEDSA-N 1 1 292.379 3.281 20 5 CGBDMO CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000746672238 572890778 /nfs/dbraw/zinc/89/07/78/572890778.db2.gz NLSJSOBNNSVEAY-NSHDSACASA-N 1 1 298.770 3.107 20 5 CGBDMO COc1c(O)ccc(C[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000891448167 618216209 /nfs/dbraw/zinc/21/62/09/618216209.db2.gz ZLGHMSMDAIFILQ-UHFFFAOYSA-N 1 1 294.351 3.074 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000052085757 618688556 /nfs/dbraw/zinc/68/85/56/618688556.db2.gz XNRBAHMTTSIIFQ-LBPRGKRZSA-N 1 1 288.351 3.024 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCC1 ZINC000094774295 619262951 /nfs/dbraw/zinc/26/29/51/619262951.db2.gz MGYARCDAHRLBHU-UHFFFAOYSA-N 1 1 266.316 3.498 20 5 CGBDMO CCOC1CC([N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000788021201 620234893 /nfs/dbraw/zinc/23/48/93/620234893.db2.gz ZRFZFSIEPHTWBL-UHFFFAOYSA-N 1 1 298.770 3.248 20 5 CGBDMO CCOC1CC([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000788021201 620234896 /nfs/dbraw/zinc/23/48/96/620234896.db2.gz ZRFZFSIEPHTWBL-UHFFFAOYSA-N 1 1 298.770 3.248 20 5 CGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929164483 620518376 /nfs/dbraw/zinc/51/83/76/620518376.db2.gz KHGIFHBKKXLTTF-LMKPVCQUSA-N 1 1 296.317 3.318 20 5 CGBDMO Cc1cccc(OCC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000915664552 624019899 /nfs/dbraw/zinc/01/98/99/624019899.db2.gz MIRLCTOLQDXXCT-ZDUSSCGKSA-N 1 1 278.352 3.156 20 5 CGBDMO CCC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000755244198 626609337 /nfs/dbraw/zinc/60/93/37/626609337.db2.gz DTYBWWGMBQNFRJ-GDBMZVCRSA-N 1 1 292.379 3.283 20 5 CGBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761511740 627047329 /nfs/dbraw/zinc/04/73/29/627047329.db2.gz OWNKKSAVVOMNAR-NXEZZACHSA-N 1 1 268.744 3.479 20 5 CGBDMO CO[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783664766 628736585 /nfs/dbraw/zinc/73/65/85/628736585.db2.gz NZUCKZGWLDRZFD-LBPRGKRZSA-N 1 1 298.770 3.249 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1(C)CCCC1 ZINC000792882551 629390564 /nfs/dbraw/zinc/39/05/64/629390564.db2.gz UUBBDLZVQQRJCV-UHFFFAOYSA-N 1 1 293.323 3.268 20 5 CGBDMO CC(C)C1C[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000793188839 629425233 /nfs/dbraw/zinc/42/52/33/629425233.db2.gz JJVVEZNSZAMARD-UHFFFAOYSA-N 1 1 268.744 3.336 20 5 CGBDMO CC1=CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000797998297 630013329 /nfs/dbraw/zinc/01/33/29/630013329.db2.gz FOOGWQHULWZICY-UHFFFAOYSA-N 1 1 266.728 3.400 20 5 CGBDMO CC1=CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000797998297 630013331 /nfs/dbraw/zinc/01/33/31/630013331.db2.gz FOOGWQHULWZICY-UHFFFAOYSA-N 1 1 266.728 3.400 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866583990 633202760 /nfs/dbraw/zinc/20/27/60/633202760.db2.gz WGJWKRYMUYVZJS-UPJWGTAASA-N 1 1 292.404 3.341 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880148121 635926027 /nfs/dbraw/zinc/92/60/27/635926027.db2.gz RMHUNIJDIOYULG-OLZOCXBDSA-N 1 1 292.379 3.057 20 5 CGBDMO CC(C)CC(=O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000828519927 633623000 /nfs/dbraw/zinc/62/30/00/633623000.db2.gz OFDQJNBLDAQBPF-UHFFFAOYSA-N 1 1 292.379 3.074 20 5 CGBDMO CC(C)[N@@H+](C)CCCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872021258 633942088 /nfs/dbraw/zinc/94/20/88/633942088.db2.gz PRVLHVBHOMVRSR-GFCCVEGCSA-N 1 1 297.374 3.115 20 5 CGBDMO CC(C)[N@@H+](C)C[C@H](C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872073410 633995943 /nfs/dbraw/zinc/99/59/43/633995943.db2.gz QPTSVPSLBZJYDZ-NWDGAFQWSA-N 1 1 297.374 3.113 20 5 CGBDMO CCC1(CC)CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000880093882 635911789 /nfs/dbraw/zinc/91/17/89/635911789.db2.gz NRWZDIQBEULTGL-UHFFFAOYSA-N 1 1 267.329 3.046 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H]1CCCO1 ZINC000131033621 636545068 /nfs/dbraw/zinc/54/50/68/636545068.db2.gz DEBLPBXAVHXWLY-GFCCVEGCSA-N 1 1 298.770 3.249 20 5 CGBDMO CC(C)C[N@@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848476970 636579705 /nfs/dbraw/zinc/57/97/05/636579705.db2.gz JIXGBZFVMGJELC-UHFFFAOYSA-N 1 1 288.351 3.004 20 5 CGBDMO CC1=CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848487661 636580863 /nfs/dbraw/zinc/58/08/63/636580863.db2.gz UUZPJWJJCVLJRK-UHFFFAOYSA-N 1 1 298.346 3.068 20 5 CGBDMO CC1=CCC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848487661 636580864 /nfs/dbraw/zinc/58/08/64/636580864.db2.gz UUZPJWJJCVLJRK-UHFFFAOYSA-N 1 1 298.346 3.068 20 5 CGBDMO CC[N@@H+](CCc1cccs1)Cc1cccnc1[N+](=O)[O-] ZINC000885971383 637339339 /nfs/dbraw/zinc/33/93/39/637339339.db2.gz YQGRCBKBLQNWBQ-UHFFFAOYSA-N 1 1 291.376 3.116 20 5 CGBDMO CC(C)[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886015032 637364090 /nfs/dbraw/zinc/36/40/90/637364090.db2.gz UUYNEBFTEZMXOD-CYBMUJFWSA-N 1 1 263.341 3.000 20 5 CGBDMO Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886017059 637365260 /nfs/dbraw/zinc/36/52/60/637365260.db2.gz RDOXELXHGMQJEH-CQSZACIVSA-N 1 1 299.374 3.361 20 5 CGBDMO CC(C)C[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886039231 637380850 /nfs/dbraw/zinc/38/08/50/637380850.db2.gz IFSXSKAWJYJQBW-CYBMUJFWSA-N 1 1 277.368 3.248 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000886123263 637424745 /nfs/dbraw/zinc/42/47/45/637424745.db2.gz VOQILBSZPQSXSE-BNOWGMLFSA-N 1 1 275.352 3.000 20 5 CGBDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886158360 637441251 /nfs/dbraw/zinc/44/12/51/637441251.db2.gz XSGVJQXORPPORM-YPMHNXCESA-N 1 1 263.341 3.000 20 5 CGBDMO C/C=C\C[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886303743 637491383 /nfs/dbraw/zinc/49/13/83/637491383.db2.gz FETATENZKSBBTM-ZRMMWKCHSA-N 1 1 275.352 3.168 20 5 CGBDMO C[N@@H+](CC1=CCSC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852747518 637705000 /nfs/dbraw/zinc/70/50/00/637705000.db2.gz MHZTUCWOYYNOHW-UHFFFAOYSA-N 1 1 298.795 3.353 20 5 CGBDMO CC1(C)Nc2ccccc2[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886842933 637713948 /nfs/dbraw/zinc/71/39/48/637713948.db2.gz KJPIYYASWUZAKG-CQSZACIVSA-N 1 1 298.346 3.025 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cn(C)cn2)cc1[N+](=O)[O-] ZINC000925497871 638238628 /nfs/dbraw/zinc/23/86/28/638238628.db2.gz ZOWZKVRRXKKQNN-RYUDHWBXSA-N 1 1 288.351 3.049 20 5 CGBDMO CC[C@H](c1ccccc1)[N@@H+](CC[N+](=O)[O-])C(C)C ZINC000931064064 639106385 /nfs/dbraw/zinc/10/63/85/639106385.db2.gz LFOSJOUSTYQZAR-CQSZACIVSA-N 1 1 250.342 3.125 20 5 CGBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000195227592 640573925 /nfs/dbraw/zinc/57/39/25/640573925.db2.gz TVWFEUDUWGBUHL-UHFFFAOYSA-N 1 1 278.327 3.354 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC2CCC1CC2 ZINC001254560610 806451040 /nfs/dbraw/zinc/45/10/40/806451040.db2.gz WMMFHLLYUISVRA-OPFPJEHXSA-N 1 1 274.364 3.400 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCn2cccc2[C@H]1C ZINC001254560489 806451352 /nfs/dbraw/zinc/45/13/52/806451352.db2.gz UCXYPJACBUPRQN-ZIAGYGMSSA-N 1 1 299.374 3.404 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCn2cccc2[C@H]1C ZINC001254560489 806451359 /nfs/dbraw/zinc/45/13/59/806451359.db2.gz UCXYPJACBUPRQN-ZIAGYGMSSA-N 1 1 299.374 3.404 20 5 CGBDMO CCCC[N@@H+](CC)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598658 806458566 /nfs/dbraw/zinc/45/85/66/806458566.db2.gz LJZJZMKVZGPZAC-HNNXBMFYSA-N 1 1 262.353 3.184 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1Cc3ccc(F)cc3C1)C2 ZINC001254602308 806458784 /nfs/dbraw/zinc/45/87/84/806458784.db2.gz CYAIABGJSAQFRQ-KRWDZBQOSA-N 1 1 298.317 3.217 20 5 CGBDMO CCC[N@@H+](CC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037095022 798859319 /nfs/dbraw/zinc/85/93/19/798859319.db2.gz RGPULFXIJKKYDK-UHFFFAOYSA-N 1 1 256.733 3.480 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1F ZINC000704230706 799934166 /nfs/dbraw/zinc/93/41/66/799934166.db2.gz DYBOUBFWDRWTJX-NEPJUHHUSA-N 1 1 296.367 3.204 20 5 CGBDMO CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001169009036 807552170 /nfs/dbraw/zinc/55/21/70/807552170.db2.gz UMPJDMGKDGGBNX-GXTWGEPZSA-N 1 1 254.374 3.086 20 5 CGBDMO C[N@@H+](Cc1cccc2cccnc21)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036495 807555441 /nfs/dbraw/zinc/55/54/41/807555441.db2.gz OTDWFTBCQFJDDF-XJKSGUPXSA-N 1 1 299.374 3.112 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCc3cccc(Cl)c3C2)C1 ZINC001169036508 807556310 /nfs/dbraw/zinc/55/63/10/807556310.db2.gz GFARUBUXSKVDTO-DGCLKSJQSA-N 1 1 294.782 3.144 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCCC13CC3)CC2 ZINC001172907530 808476428 /nfs/dbraw/zinc/47/64/28/808476428.db2.gz GWYPANYWLOBHBP-OAHLLOKOSA-N 1 1 286.375 3.471 20 5 CGBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H](C)C2)c1F ZINC001173181803 808533196 /nfs/dbraw/zinc/53/31/96/808533196.db2.gz PWDNKCDSRFRBPH-MNOVXSKESA-N 1 1 296.342 3.015 20 5 CGBDMO CCC[N@@H+](CC)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184915 808533425 /nfs/dbraw/zinc/53/34/25/808533425.db2.gz PJBAHMBCOHKOFH-LLVKDONJSA-N 1 1 298.358 3.405 20 5 CGBDMO COC[C@H]1CCCC[N@H+]1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222967 808539814 /nfs/dbraw/zinc/53/98/14/808539814.db2.gz VVJMSKBDMNBINZ-XJKSGUPXSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC(F)(F)C1 ZINC001173224712 808541161 /nfs/dbraw/zinc/54/11/61/808541161.db2.gz GULAOJQDXVNQOT-JTQLQIEISA-N 1 1 284.306 3.255 20 5 CGBDMO CN(CC[N@@H+](C)C1CCCCC1)c1ccsc1[N+](=O)[O-] ZINC001185046182 810231148 /nfs/dbraw/zinc/23/11/48/810231148.db2.gz HZOZRAXOXRLWFY-UHFFFAOYSA-N 1 1 297.424 3.357 20 5 CGBDMO C[NH+](C)Cc1ccccc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210399302 814445436 /nfs/dbraw/zinc/44/54/36/814445436.db2.gz VHMOMXHZMURAJF-UHFFFAOYSA-N 1 1 287.319 3.106 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001225681603 817139555 /nfs/dbraw/zinc/13/95/55/817139555.db2.gz CKPUOGWYVJFCLP-CYBMUJFWSA-N 1 1 278.352 3.155 20 5 CGBDMO C[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001226510107 817380252 /nfs/dbraw/zinc/38/02/52/817380252.db2.gz YHKFGPCXTATDDB-LBPRGKRZSA-N 1 1 286.331 3.221 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1O[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001226971727 817521726 /nfs/dbraw/zinc/52/17/26/817521726.db2.gz ROJNNPJZVFRTDE-VIKVFOODSA-N 1 1 290.363 3.012 20 5 CGBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C2 ZINC001227523563 817664533 /nfs/dbraw/zinc/66/45/33/817664533.db2.gz MLGHGXDWKPPGHT-FOLVSLTJSA-N 1 1 290.363 3.377 20 5 CGBDMO Cc1cc(O[C@H]2CCC[N@H+](C)CC2)c(C)c(C)c1[N+](=O)[O-] ZINC001234871807 818941442 /nfs/dbraw/zinc/94/14/42/818941442.db2.gz OBVDFMGBNDLBER-AWEZNQCLSA-N 1 1 292.379 3.383 20 5 CGBDMO CCC[C@@]1(C)CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001459572718 937492353 /nfs/dbraw/zinc/49/23/53/937492353.db2.gz MNMJTCNRVGDFTG-HNNXBMFYSA-N 1 1 294.399 3.002 20 5 CGBDMO Cc1ccccc1[C@H](C)[N@H+](CC[N+](=O)[O-])CC(C)C ZINC001460088861 937515389 /nfs/dbraw/zinc/51/53/89/937515389.db2.gz MVNNRSZPVPKRSR-AWEZNQCLSA-N 1 1 264.369 3.291 20 5 CGBDMO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001229881422 932497615 /nfs/dbraw/zinc/49/76/15/932497615.db2.gz WEWIQCLCNFNEHV-AWEZNQCLSA-N 1 1 292.379 3.463 20 5 CGBDMO Cc1ccc(O[C@@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001230146821 932536487 /nfs/dbraw/zinc/53/64/87/932536487.db2.gz XTCDFNXQJOZFAO-CYBMUJFWSA-N 1 1 278.352 3.155 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC001306978556 932904782 /nfs/dbraw/zinc/90/47/82/932904782.db2.gz JTTMLGPYDJPUQC-AWEZNQCLSA-N 1 1 291.395 3.214 20 5 CGBDMO Cc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)[nH]n1 ZINC001319693710 933915908 /nfs/dbraw/zinc/91/59/08/933915908.db2.gz APHYMPXRQHRASX-UHFFFAOYSA-N 1 1 288.351 3.037 20 5 CGBDMO Cc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)[nH]n1 ZINC001319693710 933915910 /nfs/dbraw/zinc/91/59/10/933915910.db2.gz APHYMPXRQHRASX-UHFFFAOYSA-N 1 1 288.351 3.037 20 5 CGBDMO C[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC001559654190 938231904 /nfs/dbraw/zinc/23/19/04/938231904.db2.gz DCELOYQIVJZLCR-ZIAGYGMSSA-N 1 1 292.379 3.342 20 5 CGBDMO CC[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC001559769772 938235297 /nfs/dbraw/zinc/23/52/97/938235297.db2.gz SGSDWOQDCREPTE-QWRGUYRKSA-N 1 1 266.316 3.354 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC001560075337 938243106 /nfs/dbraw/zinc/24/31/06/938243106.db2.gz BAWCOTXOVWUBTI-GASCZTMLSA-N 1 1 272.348 3.035 20 5 CGBDMO Cc1[nH+]ccn1CCCSc1cccc([N+](=O)[O-])c1 ZINC000337915461 214310217 /nfs/dbraw/zinc/31/02/17/214310217.db2.gz OYDHKYYPWFBYML-UHFFFAOYSA-N 1 1 277.349 3.282 20 5 CGBDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000295068730 199328973 /nfs/dbraw/zinc/32/89/73/199328973.db2.gz HDNSZESUBFVGNI-AWEZNQCLSA-N 1 1 298.770 3.107 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC1=CCCC1 ZINC000592120317 346964300 /nfs/dbraw/zinc/96/43/00/346964300.db2.gz FLLCHSGSPJKDPY-UHFFFAOYSA-N 1 1 260.337 3.179 20 5 CGBDMO CC(C)C[N@@H+](C)CCCNc1ccc([N+](=O)[O-])s1 ZINC000593479612 347083674 /nfs/dbraw/zinc/08/36/74/347083674.db2.gz HFNVVZHHOXNYOC-UHFFFAOYSA-N 1 1 271.386 3.046 20 5 CGBDMO CC(C)C[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000045769924 345029913 /nfs/dbraw/zinc/02/99/13/345029913.db2.gz KPDRPWHNDGIGKR-LBPRGKRZSA-N 1 1 250.342 3.461 20 5 CGBDMO Cc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000053036236 345113035 /nfs/dbraw/zinc/11/30/35/345113035.db2.gz HNXRMPNHNOOWDX-LLVKDONJSA-N 1 1 260.293 3.347 20 5 CGBDMO C[N@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000061745436 345232032 /nfs/dbraw/zinc/23/20/32/345232032.db2.gz KFCPYNWTXDSJGJ-UHFFFAOYSA-N 1 1 256.305 3.227 20 5 CGBDMO C[N@@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000061745436 345232037 /nfs/dbraw/zinc/23/20/37/345232037.db2.gz KFCPYNWTXDSJGJ-UHFFFAOYSA-N 1 1 256.305 3.227 20 5 CGBDMO CN(C)c1cccc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000173207996 346233259 /nfs/dbraw/zinc/23/32/59/346233259.db2.gz SLAVNJMDQWZYME-UHFFFAOYSA-N 1 1 299.374 3.293 20 5 CGBDMO C[C@@H]1CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119210948 370655998 /nfs/dbraw/zinc/65/59/98/370655998.db2.gz QXSXWRKFCLNWLF-LLVKDONJSA-N 1 1 287.319 3.234 20 5 CGBDMO CCCCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C(C)C ZINC000595295953 347288133 /nfs/dbraw/zinc/28/81/33/347288133.db2.gz IMVHWGJBLKLAQV-UHFFFAOYSA-N 1 1 269.345 3.292 20 5 CGBDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595329929 347293173 /nfs/dbraw/zinc/29/31/73/347293173.db2.gz YQAPYPFZTHIPPG-JQWIXIFHSA-N 1 1 281.356 3.292 20 5 CGBDMO Cc1noc(C[NH2+][C@@H](C)c2cccc(C)c2C)c1[N+](=O)[O-] ZINC000595419151 347300355 /nfs/dbraw/zinc/30/03/55/347300355.db2.gz VSAWIJRUGNGCNG-NSHDSACASA-N 1 1 289.335 3.359 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](CCF)C2)c1 ZINC000595757063 347351497 /nfs/dbraw/zinc/35/14/97/347351497.db2.gz YMURRBARZVPZFM-GFCCVEGCSA-N 1 1 266.316 3.166 20 5 CGBDMO CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595543208 347317630 /nfs/dbraw/zinc/31/76/30/347317630.db2.gz ZXQDQXMNZCOLOV-AWEZNQCLSA-N 1 1 296.342 3.125 20 5 CGBDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595543208 347317633 /nfs/dbraw/zinc/31/76/33/347317633.db2.gz ZXQDQXMNZCOLOV-AWEZNQCLSA-N 1 1 296.342 3.125 20 5 CGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H]4C[C@@H]4C3)co2)cc1 ZINC000595813215 347357950 /nfs/dbraw/zinc/35/79/50/347357950.db2.gz ZAJKIDWFYZFSHU-CHWSQXEVSA-N 1 1 299.330 3.092 20 5 CGBDMO Cc1cc(NC[C@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000596306514 347413809 /nfs/dbraw/zinc/41/38/09/347413809.db2.gz FFVGSSLFHWAQAQ-LLVKDONJSA-N 1 1 297.424 3.497 20 5 CGBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CC1(C)C ZINC000595913711 347372740 /nfs/dbraw/zinc/37/27/40/347372740.db2.gz UKLYDOCGSUYOOS-SNVBAGLBSA-N 1 1 254.355 3.134 20 5 CGBDMO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000599674294 347764422 /nfs/dbraw/zinc/76/44/22/347764422.db2.gz AYUHGJAEGFXTMZ-AAEUAGOBSA-N 1 1 266.366 3.421 20 5 CGBDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000599674294 347764424 /nfs/dbraw/zinc/76/44/24/347764424.db2.gz AYUHGJAEGFXTMZ-AAEUAGOBSA-N 1 1 266.366 3.421 20 5 CGBDMO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000599622614 347758730 /nfs/dbraw/zinc/75/87/30/347758730.db2.gz LHAXSGBZKQNHPL-JTQLQIEISA-N 1 1 270.279 3.214 20 5 CGBDMO C[C@H]1CC(F)(F)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000599622614 347758732 /nfs/dbraw/zinc/75/87/32/347758732.db2.gz LHAXSGBZKQNHPL-JTQLQIEISA-N 1 1 270.279 3.214 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000600213077 347793752 /nfs/dbraw/zinc/79/37/52/347793752.db2.gz AVPPFPBZEIRWNS-AWEZNQCLSA-N 1 1 298.342 3.290 20 5 CGBDMO Cc1c(C[N@H+](C)[C@@H](C)C(C)C)cccc1[N+](=O)[O-] ZINC000603843532 348098244 /nfs/dbraw/zinc/09/82/44/348098244.db2.gz KJYQARMLDRDRTQ-LBPRGKRZSA-N 1 1 250.342 3.380 20 5 CGBDMO C[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000610215245 348366988 /nfs/dbraw/zinc/36/69/88/348366988.db2.gz HAVBRJYTWGAPPV-KGLIPLIRSA-N 1 1 292.379 3.484 20 5 CGBDMO C[C@@H](CNc1sccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000611411751 348448110 /nfs/dbraw/zinc/44/81/10/348448110.db2.gz YQYDBYUESVIMLL-QWRGUYRKSA-N 1 1 283.397 3.331 20 5 CGBDMO O=[N+]([O-])c1sccc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000617976638 349031858 /nfs/dbraw/zinc/03/18/58/349031858.db2.gz FVIWBAUOZBCISI-LLVKDONJSA-N 1 1 281.381 3.085 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000122884968 187057938 /nfs/dbraw/zinc/05/79/38/187057938.db2.gz UUYWMEVFGKVORU-ZJUUUORDSA-N 1 1 254.355 3.134 20 5 CGBDMO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000106866654 138356125 /nfs/dbraw/zinc/35/61/25/138356125.db2.gz QEAABZCAYONXPU-INIZCTEOSA-N 1 1 292.379 3.376 20 5 CGBDMO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425395417 236243203 /nfs/dbraw/zinc/24/32/03/236243203.db2.gz NKVLIFLNOIBKRD-VIFPVBQESA-N 1 1 299.168 3.199 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425395417 236243204 /nfs/dbraw/zinc/24/32/04/236243204.db2.gz NKVLIFLNOIBKRD-VIFPVBQESA-N 1 1 299.168 3.199 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000341968288 216171789 /nfs/dbraw/zinc/17/17/89/216171789.db2.gz ARZPQRFBFCIZCK-CJNGLKHVSA-N 1 1 290.363 3.158 20 5 CGBDMO COc1cc(C[N@@H+](C)CC2CCCC2)c([N+](=O)[O-])cc1F ZINC000184257896 189381358 /nfs/dbraw/zinc/38/13/58/189381358.db2.gz VRJBJDPYILRKNS-UHFFFAOYSA-N 1 1 296.342 3.365 20 5 CGBDMO CCC[N@H+]1CC[C@H](CNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000301823218 201219029 /nfs/dbraw/zinc/21/90/29/201219029.db2.gz MZUSCXVGRAUYPN-CYBMUJFWSA-N 1 1 277.368 3.047 20 5 CGBDMO CC(C)C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000302008081 201296453 /nfs/dbraw/zinc/29/64/53/201296453.db2.gz WTQQQLXESXVDKA-AWEZNQCLSA-N 1 1 291.395 3.375 20 5 CGBDMO C[C@H](CNc1sccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000302006306 201294361 /nfs/dbraw/zinc/29/43/61/201294361.db2.gz VRQHVUWGIIWJGK-WDEREUQCSA-N 1 1 283.397 3.189 20 5 CGBDMO CO[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000451564595 240327001 /nfs/dbraw/zinc/32/70/01/240327001.db2.gz KWJXEDLRRFVWIX-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000451564595 240327004 /nfs/dbraw/zinc/32/70/04/240327004.db2.gz KWJXEDLRRFVWIX-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO CCOC[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000459679671 242178732 /nfs/dbraw/zinc/17/87/32/242178732.db2.gz UHMXPJOCGNBVLG-LBPRGKRZSA-N 1 1 284.381 3.047 20 5 CGBDMO CCOC[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000459679671 242178735 /nfs/dbraw/zinc/17/87/35/242178735.db2.gz UHMXPJOCGNBVLG-LBPRGKRZSA-N 1 1 284.381 3.047 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC(C)=C(C)C1 ZINC000482450136 243225077 /nfs/dbraw/zinc/22/50/77/243225077.db2.gz IFDQCGUGQZYFBD-UHFFFAOYSA-N 1 1 260.337 3.445 20 5 CGBDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000015030072 368690020 /nfs/dbraw/zinc/69/00/20/368690020.db2.gz YTQPRVYHQILJJO-INIZCTEOSA-N 1 1 285.347 3.270 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492759734 244019115 /nfs/dbraw/zinc/01/91/15/244019115.db2.gz XJJHICMWXPCVOG-CHWSQXEVSA-N 1 1 292.379 3.471 20 5 CGBDMO COc1cccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000042976154 369239201 /nfs/dbraw/zinc/23/92/01/369239201.db2.gz AWWHBLMHFDPSPF-UHFFFAOYSA-N 1 1 286.331 3.235 20 5 CGBDMO Cc1cccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000051573692 369449229 /nfs/dbraw/zinc/44/92/29/369449229.db2.gz JYCCAICLSORABH-GFCCVEGCSA-N 1 1 271.320 3.149 20 5 CGBDMO COc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000076150406 369933195 /nfs/dbraw/zinc/93/31/95/369933195.db2.gz OZGUUTQJKOXKDP-VXGBXAGGSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@@H]1CCCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000512186721 245022762 /nfs/dbraw/zinc/02/27/62/245022762.db2.gz WRRYMTMSPUCDJU-CYBMUJFWSA-N 1 1 278.352 3.238 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C(C)(C)C ZINC000343990424 217006558 /nfs/dbraw/zinc/00/65/58/217006558.db2.gz SXJHPKCBWXQFFH-HNNXBMFYSA-N 1 1 294.395 3.212 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000344020677 217013476 /nfs/dbraw/zinc/01/34/76/217013476.db2.gz XPQFNFAQTONFCW-CQSZACIVSA-N 1 1 260.337 3.217 20 5 CGBDMO CS[C@@H]1CCCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000134593337 371352722 /nfs/dbraw/zinc/35/27/22/371352722.db2.gz FDEIULNNOIFUAW-CQSZACIVSA-N 1 1 280.393 3.312 20 5 CGBDMO Cn1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000154307997 371834611 /nfs/dbraw/zinc/83/46/11/371834611.db2.gz BQNIAYPVXAMHNU-UHFFFAOYSA-N 1 1 285.347 3.098 20 5 CGBDMO Cn1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000154307997 371834622 /nfs/dbraw/zinc/83/46/22/371834622.db2.gz BQNIAYPVXAMHNU-UHFFFAOYSA-N 1 1 285.347 3.098 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC(C)(C)C1 ZINC000289904662 371849929 /nfs/dbraw/zinc/84/99/29/371849929.db2.gz SQSZOUARITVUJD-HNNXBMFYSA-N 1 1 292.379 3.374 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000344099087 217049181 /nfs/dbraw/zinc/04/91/81/217049181.db2.gz NAFIBGNOCJHZKH-ZDUSSCGKSA-N 1 1 290.363 3.225 20 5 CGBDMO CC[N@H+](CCc1nccs1)Cc1csc([N+](=O)[O-])c1 ZINC000159265978 372125562 /nfs/dbraw/zinc/12/55/62/372125562.db2.gz PVGBYOWZHHLHGE-UHFFFAOYSA-N 1 1 297.405 3.177 20 5 CGBDMO CC[N@@H+](CCc1nccs1)Cc1csc([N+](=O)[O-])c1 ZINC000159265978 372125565 /nfs/dbraw/zinc/12/55/65/372125565.db2.gz PVGBYOWZHHLHGE-UHFFFAOYSA-N 1 1 297.405 3.177 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000428465373 372214953 /nfs/dbraw/zinc/21/49/53/372214953.db2.gz XCAPROAXORTLKK-MJQCEFOHSA-N 1 1 272.348 3.482 20 5 CGBDMO CC[C@@]1(C)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000344275449 217129205 /nfs/dbraw/zinc/12/92/05/217129205.db2.gz SNWVEONCQBUYPE-HNNXBMFYSA-N 1 1 278.352 3.225 20 5 CGBDMO CC1=C[C@@H](C)C[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000430272745 372388403 /nfs/dbraw/zinc/38/84/03/372388403.db2.gz BEXWHTOXBSCCDZ-SECBINFHSA-N 1 1 252.339 3.054 20 5 CGBDMO CC1=C[C@@H](C)C[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000430272745 372388410 /nfs/dbraw/zinc/38/84/10/372388410.db2.gz BEXWHTOXBSCCDZ-SECBINFHSA-N 1 1 252.339 3.054 20 5 CGBDMO CC1(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC000432826411 372574505 /nfs/dbraw/zinc/57/45/05/372574505.db2.gz XVXFSOPWSFDUAX-UHFFFAOYSA-N 1 1 260.337 3.143 20 5 CGBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000171615025 372795713 /nfs/dbraw/zinc/79/57/13/372795713.db2.gz VZGBHSQAEBAZJW-UHFFFAOYSA-N 1 1 252.289 3.108 20 5 CGBDMO COc1ccc(C[N@H+]2CCC[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000438329524 372925951 /nfs/dbraw/zinc/92/59/51/372925951.db2.gz WFQWPMAWEJHKKJ-CQSZACIVSA-N 1 1 292.379 3.471 20 5 CGBDMO Cc1c([C@@H](C)N[C@@H](C)C[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000353569605 220164920 /nfs/dbraw/zinc/16/49/20/220164920.db2.gz RNQLAHLHCLHFSD-GXTWGEPZSA-N 1 1 293.411 3.283 20 5 CGBDMO Cc1c([C@@H](C)[NH2+][C@@H](C)CN(C)C(C)C)cccc1[N+](=O)[O-] ZINC000353569605 220164922 /nfs/dbraw/zinc/16/49/22/220164922.db2.gz RNQLAHLHCLHFSD-GXTWGEPZSA-N 1 1 293.411 3.283 20 5 CGBDMO CCCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444585531 373203748 /nfs/dbraw/zinc/20/37/48/373203748.db2.gz ZSVJWUXATLEWHX-UHFFFAOYSA-N 1 1 288.351 3.236 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC1=CC[N@@H+](C)CC1 ZINC000444829400 373280818 /nfs/dbraw/zinc/28/08/18/373280818.db2.gz OPZSTGSAQFRYAY-UHFFFAOYSA-N 1 1 295.770 3.230 20 5 CGBDMO CN(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000353615993 220194156 /nfs/dbraw/zinc/19/41/56/220194156.db2.gz YAKDIRQIQFAAMY-UHFFFAOYSA-N 1 1 299.374 3.163 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1NCC[N@@H+]1CCCC[C@@H]1C ZINC000301161730 373678720 /nfs/dbraw/zinc/67/87/20/373678720.db2.gz HMCNTXQXJLQELZ-ZDUSSCGKSA-N 1 1 277.368 3.190 20 5 CGBDMO Cc1cc(N2CC[NH+](C(C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301427671 373774310 /nfs/dbraw/zinc/77/43/10/373774310.db2.gz DLISKFSFNLOUHU-UHFFFAOYSA-N 1 1 297.786 3.087 20 5 CGBDMO CC[C@@H](CSC)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000180691140 374036454 /nfs/dbraw/zinc/03/64/54/374036454.db2.gz YPSNEFLRLSGEMX-LBPRGKRZSA-N 1 1 298.408 3.177 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000310927455 374228924 /nfs/dbraw/zinc/22/89/24/374228924.db2.gz IFJMLSXVCDATOF-SNVBAGLBSA-N 1 1 254.305 3.354 20 5 CGBDMO CC[C@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000310919680 374229915 /nfs/dbraw/zinc/22/99/15/374229915.db2.gz GYZCOMYKDBSCPO-JTQLQIEISA-N 1 1 254.305 3.212 20 5 CGBDMO CC(C)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000311393401 374241478 /nfs/dbraw/zinc/24/14/78/374241478.db2.gz DDOBFKQHPVTYBR-CQSZACIVSA-N 1 1 266.316 3.354 20 5 CGBDMO Cc1ccc([C@H](C)N[C@@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000315029917 374324914 /nfs/dbraw/zinc/32/49/14/374324914.db2.gz WHBNENAXUNNFHZ-KBPBESRZSA-N 1 1 293.411 3.283 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+][C@@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000315029917 374324923 /nfs/dbraw/zinc/32/49/23/374324923.db2.gz WHBNENAXUNNFHZ-KBPBESRZSA-N 1 1 293.411 3.283 20 5 CGBDMO Cc1ccc([C@@H](C)N[C@@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000315029919 374325151 /nfs/dbraw/zinc/32/51/51/374325151.db2.gz WHBNENAXUNNFHZ-UONOGXRCSA-N 1 1 293.411 3.283 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000315029919 374325156 /nfs/dbraw/zinc/32/51/56/374325156.db2.gz WHBNENAXUNNFHZ-UONOGXRCSA-N 1 1 293.411 3.283 20 5 CGBDMO CC[C@@H]1CCC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000330910006 374490188 /nfs/dbraw/zinc/49/01/88/374490188.db2.gz FKIHKDFSYWDKED-LLVKDONJSA-N 1 1 282.315 3.117 20 5 CGBDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331418000 374530974 /nfs/dbraw/zinc/53/09/74/374530974.db2.gz DKHUMSJWEHGHTP-YGRLFVJLSA-N 1 1 288.351 3.092 20 5 CGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000185602193 374695655 /nfs/dbraw/zinc/69/56/55/374695655.db2.gz ZEKQYTWZHUEFLO-ONGXEEELSA-N 1 1 254.355 3.277 20 5 CGBDMO C[C@@H]1CC[C@@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000464813157 374903765 /nfs/dbraw/zinc/90/37/65/374903765.db2.gz HMJNKRSLMYTGGE-CHWSQXEVSA-N 1 1 262.353 3.258 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[C@@H](C)O1 ZINC000190428591 375509759 /nfs/dbraw/zinc/50/97/59/375509759.db2.gz YYTLDUSHHVAZLI-CJNGLKHVSA-N 1 1 292.379 3.373 20 5 CGBDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336812204 375964977 /nfs/dbraw/zinc/96/49/77/375964977.db2.gz QMPRFXAYVANWHM-WDEREUQCSA-N 1 1 266.316 3.354 20 5 CGBDMO CSCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000193842984 375929455 /nfs/dbraw/zinc/92/94/55/375929455.db2.gz MLTDLECYMXEMIC-UHFFFAOYSA-N 1 1 268.382 3.168 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000537257546 376156955 /nfs/dbraw/zinc/15/69/55/376156955.db2.gz UHNKMVXYPQKAGP-LLVKDONJSA-N 1 1 296.330 3.322 20 5 CGBDMO CC1CCC(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000541620575 376468182 /nfs/dbraw/zinc/46/81/82/376468182.db2.gz LIKUXAGOMKVSMF-UHFFFAOYSA-N 1 1 289.379 3.174 20 5 CGBDMO COc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000229742339 376469263 /nfs/dbraw/zinc/46/92/63/376469263.db2.gz BJXGZKYLOXVBFZ-UHFFFAOYSA-N 1 1 290.294 3.032 20 5 CGBDMO Cc1c(C[NH2+]Cc2c(F)cccc2F)cccc1[N+](=O)[O-] ZINC000231883697 376575919 /nfs/dbraw/zinc/57/59/19/376575919.db2.gz GAKZTVQYURZODB-UHFFFAOYSA-N 1 1 292.285 3.471 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000543181187 376616703 /nfs/dbraw/zinc/61/67/03/376616703.db2.gz DAASPQHRBJXBLD-GFCCVEGCSA-N 1 1 262.353 3.463 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000543181188 376616847 /nfs/dbraw/zinc/61/68/47/376616847.db2.gz DAASPQHRBJXBLD-LBPRGKRZSA-N 1 1 262.353 3.463 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339680896 376806611 /nfs/dbraw/zinc/80/66/11/376806611.db2.gz YSCJTVRJSHPPRK-ZDUSSCGKSA-N 1 1 290.363 3.225 20 5 CGBDMO COC1CCC([N@@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000265238219 190168604 /nfs/dbraw/zinc/16/86/04/190168604.db2.gz SHNKLHGIMBFEQT-UHFFFAOYSA-N 1 1 284.381 3.046 20 5 CGBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000579527783 378169021 /nfs/dbraw/zinc/16/90/21/378169021.db2.gz MPMLCHDTWDWCSD-OKILXGFUSA-N 1 1 292.379 3.327 20 5 CGBDMO CC(C)[N@@H+](Cc1ccn(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000271066867 378445654 /nfs/dbraw/zinc/44/56/54/378445654.db2.gz JQPUDACJEBUUOM-UHFFFAOYSA-N 1 1 287.363 3.344 20 5 CGBDMO CCCC[N@@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1C ZINC000349980452 379470151 /nfs/dbraw/zinc/47/01/51/379470151.db2.gz ZHOCOFLJEMBMOD-UHFFFAOYSA-N 1 1 280.368 3.152 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000347731544 218336822 /nfs/dbraw/zinc/33/68/22/218336822.db2.gz UHALTZAKGNTGMS-UHFFFAOYSA-N 1 1 295.342 3.279 20 5 CGBDMO COc1cc(C[N@H+]2C[C@H](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352541264 379848463 /nfs/dbraw/zinc/84/84/63/379848463.db2.gz VTLIPFQDELSBQF-NEPJUHHUSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000352611624 379876490 /nfs/dbraw/zinc/87/64/90/379876490.db2.gz IWUOISCEDIBIMS-SNVBAGLBSA-N 1 1 266.316 3.354 20 5 CGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000352611066 379877214 /nfs/dbraw/zinc/87/72/14/379877214.db2.gz BZGYDVWCRHDAOJ-UHFFFAOYSA-N 1 1 296.342 3.123 20 5 CGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352785241 379958874 /nfs/dbraw/zinc/95/88/74/379958874.db2.gz VPXQLLVCRZKLLO-DGCLKSJQSA-N 1 1 278.352 3.366 20 5 CGBDMO CC[C@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)OC ZINC000419212633 380779971 /nfs/dbraw/zinc/77/99/71/380779971.db2.gz VCANJWAZTSPBSP-OAHLLOKOSA-N 1 1 280.368 3.230 20 5 CGBDMO CCc1cccnc1[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000356852128 380900898 /nfs/dbraw/zinc/90/08/98/380900898.db2.gz RGIGRCMZRGDRKA-GFCCVEGCSA-N 1 1 285.347 3.403 20 5 CGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000357551371 381205304 /nfs/dbraw/zinc/20/53/04/381205304.db2.gz HZMWPAOSXHOZJS-MWLCHTKSSA-N 1 1 254.355 3.419 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000357729999 381267113 /nfs/dbraw/zinc/26/71/13/381267113.db2.gz KLNRYGLINVNXKW-VXGBXAGGSA-N 1 1 278.352 3.224 20 5 CGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000360469888 381554217 /nfs/dbraw/zinc/55/42/17/381554217.db2.gz YAZYQEZHSARGRT-SMDDNHRTSA-N 1 1 278.352 3.224 20 5 CGBDMO CC[N@@H+](C[C@H]1CCCO1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000270768945 285087987 /nfs/dbraw/zinc/08/79/87/285087987.db2.gz LCJGRHOXHLUBMZ-CHWSQXEVSA-N 1 1 278.352 3.157 20 5 CGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccncc1 ZINC000350463085 219024282 /nfs/dbraw/zinc/02/42/82/219024282.db2.gz SAIBLPNNTYFYCT-XQRVVYSFSA-N 1 1 283.331 3.135 20 5 CGBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000107064455 392315139 /nfs/dbraw/zinc/31/51/39/392315139.db2.gz GAMNKECIEAIJRW-LBPRGKRZSA-N 1 1 298.770 3.107 20 5 CGBDMO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000286019316 392363847 /nfs/dbraw/zinc/36/38/47/392363847.db2.gz PCDNTTMPJJLMSC-UHFFFAOYSA-N 1 1 270.279 3.247 20 5 CGBDMO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000286019316 392363855 /nfs/dbraw/zinc/36/38/55/392363855.db2.gz PCDNTTMPJJLMSC-UHFFFAOYSA-N 1 1 270.279 3.247 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1NCC[N@@H+]1CCC[C@H](C)C1 ZINC000301520674 392594098 /nfs/dbraw/zinc/59/40/98/392594098.db2.gz LEKYSFDCPADFGF-LBPRGKRZSA-N 1 1 277.368 3.047 20 5 CGBDMO CO[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000374665291 392688449 /nfs/dbraw/zinc/68/84/49/392688449.db2.gz UVMZVMHKGQXACQ-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000511520679 392837732 /nfs/dbraw/zinc/83/77/32/392837732.db2.gz FYXTYUFQQDTCRK-LHRNQBEKSA-N 1 1 260.337 3.482 20 5 CGBDMO C[C@H]1CCC[C@@H](C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000347786619 393108745 /nfs/dbraw/zinc/10/87/45/393108745.db2.gz OPUZUTUSQOANNX-QWHCGFSZSA-N 1 1 289.379 3.174 20 5 CGBDMO CC[C@H]1C[C@H](C)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000466906098 393067457 /nfs/dbraw/zinc/06/74/57/393067457.db2.gz YAMZEGJSZURQEL-STQMWFEESA-N 1 1 278.352 3.094 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CC1CC1)C1CCC1 ZINC000430240632 393547612 /nfs/dbraw/zinc/54/76/12/393547612.db2.gz MODDBLIXGKDIJN-UHFFFAOYSA-N 1 1 290.363 3.368 20 5 CGBDMO Cc1c(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000501787351 393861075 /nfs/dbraw/zinc/86/10/75/393861075.db2.gz WHAGEWUEVIRQFP-NEPJUHHUSA-N 1 1 262.353 3.381 20 5 CGBDMO C[C@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000078512826 165133994 /nfs/dbraw/zinc/13/39/94/165133994.db2.gz JZSFNXZVFOTITJ-ZDUSSCGKSA-N 1 1 292.379 3.110 20 5 CGBDMO CC[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000091929335 287110204 /nfs/dbraw/zinc/11/02/04/287110204.db2.gz OVQGZUGNWSZZPJ-IYNGYCSASA-N 1 1 260.337 3.340 20 5 CGBDMO C[N@H+](CCC1CC1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119508713 287170403 /nfs/dbraw/zinc/17/04/03/287170403.db2.gz JWDOBYDKKGLIEQ-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO C[N@@H+](CCC1CC1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119508713 287170406 /nfs/dbraw/zinc/17/04/06/287170406.db2.gz JWDOBYDKKGLIEQ-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccncc1 ZINC000035368165 172159680 /nfs/dbraw/zinc/15/96/80/172159680.db2.gz HFNRUHMDPGUICU-JTQLQIEISA-N 1 1 291.738 3.494 20 5 CGBDMO C[C@H](c1ccccn1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285368117 196263428 /nfs/dbraw/zinc/26/34/28/196263428.db2.gz QSSFEHPQFBNYTR-CYBMUJFWSA-N 1 1 285.347 3.225 20 5 CGBDMO CN(C)c1cccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000173572245 260028760 /nfs/dbraw/zinc/02/87/60/260028760.db2.gz AXIJZUNEVIHFQG-UHFFFAOYSA-N 1 1 299.374 3.293 20 5 CGBDMO CN(C)c1cccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000173572245 260028762 /nfs/dbraw/zinc/02/87/62/260028762.db2.gz AXIJZUNEVIHFQG-UHFFFAOYSA-N 1 1 299.374 3.293 20 5 CGBDMO CC(C)[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCOC1 ZINC000291315527 263121339 /nfs/dbraw/zinc/12/13/39/263121339.db2.gz SAQPQHRICXEEJR-CYBMUJFWSA-N 1 1 298.770 3.248 20 5 CGBDMO CC(C)[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCOC1 ZINC000291315527 263121340 /nfs/dbraw/zinc/12/13/40/263121340.db2.gz SAQPQHRICXEEJR-CYBMUJFWSA-N 1 1 298.770 3.248 20 5 CGBDMO COc1ccc(C[N@H+]2CC[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000532038447 270213078 /nfs/dbraw/zinc/21/30/78/270213078.db2.gz MTFUSGBHWMVYFQ-CYBMUJFWSA-N 1 1 278.352 3.081 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000179398239 276052566 /nfs/dbraw/zinc/05/25/66/276052566.db2.gz YHLUMQZXMSFHGK-ZDUSSCGKSA-N 1 1 292.379 3.329 20 5 CGBDMO CC[N@H+]1CC[C@H](N(C)c2cc(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000301542179 276225814 /nfs/dbraw/zinc/22/58/14/276225814.db2.gz CPEZNIUOHIJIAQ-KGLIPLIRSA-N 1 1 291.395 3.070 20 5 CGBDMO COC(C)(C)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000346427463 277176079 /nfs/dbraw/zinc/17/60/79/277176079.db2.gz GHOJOKVHXVQQJQ-UHFFFAOYSA-N 1 1 292.379 3.374 20 5 CGBDMO Cc1cc(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000397061327 288020781 /nfs/dbraw/zinc/02/07/81/288020781.db2.gz XIBZAYAFTIDFSH-UHFFFAOYSA-N 1 1 289.310 3.036 20 5 CGBDMO C[C@H](c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451896516 278309059 /nfs/dbraw/zinc/30/90/59/278309059.db2.gz GNQXACFBOOHHNI-CZUORRHYSA-N 1 1 290.363 3.158 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH+]2C3CCC2CC3)c(Cl)c1 ZINC000541067966 288684397 /nfs/dbraw/zinc/68/43/97/288684397.db2.gz FBDANULSWMFDBI-UHFFFAOYSA-N 1 1 266.728 3.375 20 5 CGBDMO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000548754852 289021142 /nfs/dbraw/zinc/02/11/42/289021142.db2.gz SCEQACAPECYKTR-DTORHVGOSA-N 1 1 254.717 3.231 20 5 CGBDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000548754852 289021145 /nfs/dbraw/zinc/02/11/45/289021145.db2.gz SCEQACAPECYKTR-DTORHVGOSA-N 1 1 254.717 3.231 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000569155822 322237291 /nfs/dbraw/zinc/23/72/91/322237291.db2.gz LCYDLPIFVOPJIU-UHFFFAOYSA-N 1 1 250.342 3.115 20 5 CGBDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000195670111 336058163 /nfs/dbraw/zinc/05/81/63/336058163.db2.gz YPSLIALVKOZYAK-KGLIPLIRSA-N 1 1 292.379 3.484 20 5 CGBDMO CC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746654555 572888059 /nfs/dbraw/zinc/88/80/59/572888059.db2.gz OOXKCGUIPFTSAL-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCc2ccncc2)C2CC2)cc1 ZINC000130018821 527348656 /nfs/dbraw/zinc/34/86/56/527348656.db2.gz LPQFVXFHGSFRQB-UHFFFAOYSA-N 1 1 297.358 3.197 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)C1CC1 ZINC000175058388 528612665 /nfs/dbraw/zinc/61/26/65/528612665.db2.gz UYLIMRYJKVYNJN-LLVKDONJSA-N 1 1 278.352 3.224 20 5 CGBDMO CCCC[C@@H](CN)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423293779 528821614 /nfs/dbraw/zinc/82/16/14/528821614.db2.gz ASKGTGOWHBILOB-ZFWWWQNUSA-N 1 1 279.384 3.153 20 5 CGBDMO C[C@@H]([N@@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21)C1(C)CC1 ZINC000176832625 618742600 /nfs/dbraw/zinc/74/26/00/618742600.db2.gz MPFCJQFBBRHLNP-LLVKDONJSA-N 1 1 288.351 3.022 20 5 CGBDMO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000255593796 618745258 /nfs/dbraw/zinc/74/52/58/618745258.db2.gz XBHRFUJHECJSJS-FWPCIQOSSA-N 1 1 290.363 3.107 20 5 CGBDMO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000255593796 618745259 /nfs/dbraw/zinc/74/52/59/618745259.db2.gz XBHRFUJHECJSJS-FWPCIQOSSA-N 1 1 290.363 3.107 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000177091749 618793387 /nfs/dbraw/zinc/79/33/87/618793387.db2.gz XLPHARXFOKMPDW-AOOOYVTPSA-N 1 1 252.289 3.107 20 5 CGBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CCCCC1 ZINC000178855015 619408405 /nfs/dbraw/zinc/40/84/05/619408405.db2.gz YFLYJSIUYYLGAP-INIZCTEOSA-N 1 1 292.379 3.140 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H](CF)C1 ZINC000895546888 619848356 /nfs/dbraw/zinc/84/83/56/619848356.db2.gz XEWHUNGVPMNRFY-LLPBQKLSSA-N 1 1 278.327 3.290 20 5 CGBDMO CO[C@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000895928898 619909644 /nfs/dbraw/zinc/90/96/44/619909644.db2.gz VKJVXOPDZGFPKK-JQWIXIFHSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000895928898 619909649 /nfs/dbraw/zinc/90/96/49/619909649.db2.gz VKJVXOPDZGFPKK-JQWIXIFHSA-N 1 1 298.770 3.248 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCn2cccc2C1 ZINC000896761340 620057567 /nfs/dbraw/zinc/05/75/67/620057567.db2.gz LZBIJHYBJYGZDE-UVTDQMKNSA-N 1 1 297.358 3.315 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCn2cccc2C1 ZINC000896761340 620057571 /nfs/dbraw/zinc/05/75/71/620057571.db2.gz LZBIJHYBJYGZDE-UVTDQMKNSA-N 1 1 297.358 3.315 20 5 CGBDMO CC[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000054521022 620386865 /nfs/dbraw/zinc/38/68/65/620386865.db2.gz TVYUNXUWLJJEFK-UHFFFAOYSA-N 1 1 288.351 3.167 20 5 CGBDMO O=[N+]([O-])c1ccc(CNc2ccc(C3CC3)c[nH+]2)cc1 ZINC000897713081 620421998 /nfs/dbraw/zinc/42/19/98/620421998.db2.gz WVOHNXFDCZZFTH-UHFFFAOYSA-N 1 1 269.304 3.479 20 5 CGBDMO CCc1cc(NCc2ccc([N+](=O)[O-])cc2F)nc(C)[nH+]1 ZINC000902224812 621199518 /nfs/dbraw/zinc/19/95/18/621199518.db2.gz AUMVFIKAOGVCSS-UHFFFAOYSA-N 1 1 290.298 3.007 20 5 CGBDMO C[C@H]1SCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1C ZINC000172406884 623249090 /nfs/dbraw/zinc/24/90/90/623249090.db2.gz PIQNSYPZAKDBJK-VHSXEESVSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@H]1SCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1C ZINC000172406884 623249100 /nfs/dbraw/zinc/24/91/00/623249100.db2.gz PIQNSYPZAKDBJK-VHSXEESVSA-N 1 1 284.356 3.060 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC3(CCCC3)C2)cc1 ZINC000174261368 623379450 /nfs/dbraw/zinc/37/94/50/623379450.db2.gz XSAIUJYWEGUNJV-UHFFFAOYSA-N 1 1 260.337 3.361 20 5 CGBDMO CC[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H](C)C(C)C ZINC000064111945 623410900 /nfs/dbraw/zinc/41/09/00/623410900.db2.gz GAGPOSHMXLYMFS-GFCCVEGCSA-N 1 1 290.367 3.268 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154329064 624253408 /nfs/dbraw/zinc/25/34/08/624253408.db2.gz KFKIUMCUZCDPJZ-CJNGLKHVSA-N 1 1 292.379 3.140 20 5 CGBDMO CN(CC[N@@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000920337896 624480522 /nfs/dbraw/zinc/48/05/22/624480522.db2.gz WFTFTKXFSFSZNV-UHFFFAOYSA-N 1 1 291.395 3.296 20 5 CGBDMO CCC1CCC([N@@H+](C)Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000921047302 624564867 /nfs/dbraw/zinc/56/48/67/624564867.db2.gz YGLAZJKRRWPWNI-UHFFFAOYSA-N 1 1 294.399 3.266 20 5 CGBDMO CCC[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000755244200 626609644 /nfs/dbraw/zinc/60/96/44/626609644.db2.gz DTYBWWGMBQNFRJ-HOCLYGCPSA-N 1 1 292.379 3.283 20 5 CGBDMO CC[N@@H+](CCC1CC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000760538162 626977409 /nfs/dbraw/zinc/97/74/09/626977409.db2.gz UYQZLFCXBVPJFA-UHFFFAOYSA-N 1 1 288.351 3.024 20 5 CGBDMO Cc1ccc([C@H](C)NCC[N@@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000766273169 627310349 /nfs/dbraw/zinc/31/03/49/627310349.db2.gz NYOXJXKSOBSQLQ-KGLIPLIRSA-N 1 1 291.395 3.038 20 5 CGBDMO Cc1ccc([C@H](C)NCC[N@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000766273169 627310350 /nfs/dbraw/zinc/31/03/50/627310350.db2.gz NYOXJXKSOBSQLQ-KGLIPLIRSA-N 1 1 291.395 3.038 20 5 CGBDMO CC(C)[C@H]1CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775765768 628134132 /nfs/dbraw/zinc/13/41/32/628134132.db2.gz RDWCHRHDUWZFHD-CYBMUJFWSA-N 1 1 268.744 3.479 20 5 CGBDMO CC(C)[C@H]1CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775765768 628134134 /nfs/dbraw/zinc/13/41/34/628134134.db2.gz RDWCHRHDUWZFHD-CYBMUJFWSA-N 1 1 268.744 3.479 20 5 CGBDMO CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000776271448 628187736 /nfs/dbraw/zinc/18/77/36/628187736.db2.gz CLGVFGQOSYGPJP-MRXNPFEDSA-N 1 1 292.379 3.283 20 5 CGBDMO COC(C)(C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783576542 628728126 /nfs/dbraw/zinc/72/81/26/628728126.db2.gz QCOAHRAJTVWBFY-UHFFFAOYSA-N 1 1 286.759 3.105 20 5 CGBDMO CC(C)c1ccc(C[N@H+](CC[N+](=O)[O-])C2CC2)cc1 ZINC000791054226 629253223 /nfs/dbraw/zinc/25/32/23/629253223.db2.gz RXFGJRQWNWMPFO-UHFFFAOYSA-N 1 1 262.353 3.051 20 5 CGBDMO CC(C)c1ccc(C[N@@H+](CC[N+](=O)[O-])C2CC2)cc1 ZINC000791054226 629253224 /nfs/dbraw/zinc/25/32/24/629253224.db2.gz RXFGJRQWNWMPFO-UHFFFAOYSA-N 1 1 262.353 3.051 20 5 CGBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1C(F)F ZINC000865883366 632940027 /nfs/dbraw/zinc/94/00/27/632940027.db2.gz CWGDGBIYIDHLCM-NSHDSACASA-N 1 1 299.321 3.063 20 5 CGBDMO C[C@@H]([NH2+]CC(C)(C)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872090378 634015675 /nfs/dbraw/zinc/01/56/75/634015675.db2.gz BZSWCQRFNMVNTR-MRVPVSSYSA-N 1 1 258.268 3.133 20 5 CGBDMO Cc1nccnc1[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000872130638 634052730 /nfs/dbraw/zinc/05/27/30/634052730.db2.gz JXNUVLNAVQFYNQ-RISCZKNCSA-N 1 1 298.346 3.031 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000877565575 635094371 /nfs/dbraw/zinc/09/43/71/635094371.db2.gz KCZODJFQEQLVAK-BLLLJJGKSA-N 1 1 292.379 3.068 20 5 CGBDMO COc1ccc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000877719363 635164117 /nfs/dbraw/zinc/16/41/17/635164117.db2.gz YUTXYLHAXCRTDW-OKILXGFUSA-N 1 1 288.347 3.001 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000878629095 635578759 /nfs/dbraw/zinc/57/87/59/635578759.db2.gz AWFMBQKAHSYDGO-INIZCTEOSA-N 1 1 297.358 3.288 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844436014 635899608 /nfs/dbraw/zinc/89/96/08/635899608.db2.gz PDQDOECGOLOONU-CYBMUJFWSA-N 1 1 282.290 3.216 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCCOC1 ZINC000846052491 636139049 /nfs/dbraw/zinc/13/90/49/636139049.db2.gz OSROGNJGCIGEED-LBPRGKRZSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000136108309 637287402 /nfs/dbraw/zinc/28/74/02/637287402.db2.gz SMZXITMQGUNSDX-PWSUYJOCSA-N 1 1 266.316 3.497 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000885963042 637334115 /nfs/dbraw/zinc/33/41/15/637334115.db2.gz JLJLRPRYGMLOIV-CQSZACIVSA-N 1 1 275.352 3.144 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000852636340 637688198 /nfs/dbraw/zinc/68/81/98/637688198.db2.gz SADBOCWIYRKMKT-NXEZZACHSA-N 1 1 266.728 3.090 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000852636340 637688201 /nfs/dbraw/zinc/68/82/01/637688201.db2.gz SADBOCWIYRKMKT-NXEZZACHSA-N 1 1 266.728 3.090 20 5 CGBDMO Cc1cc(NCCNc2cccc(C)[nH+]2)c([N+](=O)[O-])s1 ZINC000853328128 637812279 /nfs/dbraw/zinc/81/22/79/637812279.db2.gz NWDRUVRUHPRRST-UHFFFAOYSA-N 1 1 292.364 3.192 20 5 CGBDMO C[C@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774877 640802150 /nfs/dbraw/zinc/80/21/50/640802150.db2.gz KKSYBPPDCUDQOE-NSHDSACASA-N 1 1 266.316 3.498 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC(F)(F)C1 ZINC001254550843 806447779 /nfs/dbraw/zinc/44/77/79/806447779.db2.gz SBQFTVVTSWZCKN-SNVBAGLBSA-N 1 1 284.306 3.255 20 5 CGBDMO CCC[N@@H+](CC)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550703 806447940 /nfs/dbraw/zinc/44/79/40/806447940.db2.gz PEBWOVWJMLWDSM-LBPRGKRZSA-N 1 1 250.342 3.258 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CCc1ccccn1 ZINC001254550009 806447988 /nfs/dbraw/zinc/44/79/88/806447988.db2.gz BPDPMMWILFVJCQ-AWEZNQCLSA-N 1 1 299.374 3.095 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(CF)C1 ZINC001254552761 806449157 /nfs/dbraw/zinc/44/91/57/806449157.db2.gz PADAQFIEMKMYOP-SWLSCSKDSA-N 1 1 280.343 3.207 20 5 CGBDMO CO[C@@H]1CCC[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254557841 806449187 /nfs/dbraw/zinc/44/91/87/806449187.db2.gz CKAPWDMMXORJHY-UKRRQHHQSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CCc1ccncc1 ZINC001254563523 806451911 /nfs/dbraw/zinc/45/19/11/806451911.db2.gz XVUDRJYHNSRTRA-CQSZACIVSA-N 1 1 299.374 3.095 20 5 CGBDMO C[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001254596884 806456821 /nfs/dbraw/zinc/45/68/21/806456821.db2.gz GIMJVMJGROZKSL-MRXNPFEDSA-N 1 1 274.364 3.327 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@H]3CCC[C@@H]3C1)C2 ZINC001254594613 806457552 /nfs/dbraw/zinc/45/75/52/806457552.db2.gz RVJTUSLGICBUAG-SUYBPPKGSA-N 1 1 286.375 3.184 20 5 CGBDMO C[C@]1(F)CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599677 806458439 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O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](c3cccc(F)c3)C2)C1 ZINC001169038166 807557258 /nfs/dbraw/zinc/55/72/58/807557258.db2.gz WJJNSBCDKXFRMS-IVMMDQJWSA-N 1 1 292.354 3.060 20 5 CGBDMO COc1ccc(C[C@H](C)[N@@H+](C)CCC2CC2)c([N+](=O)[O-])c1 ZINC001170353130 807828054 /nfs/dbraw/zinc/82/80/54/807828054.db2.gz WNAZHAMRYZFMNF-LBPRGKRZSA-N 1 1 292.379 3.266 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@@H](C)CCC1(C)C ZINC001171077326 807978949 /nfs/dbraw/zinc/97/89/49/807978949.db2.gz DDALPVCLZIXKBT-NSHDSACASA-N 1 1 278.352 3.366 20 5 CGBDMO C[C@@H]1C[C@H](F)C[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904774 808476417 /nfs/dbraw/zinc/47/64/17/808476417.db2.gz AMEJTSCBLCMJOX-BYCMXARLSA-N 1 1 292.354 3.275 20 5 CGBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@H](C)C2)c1F ZINC001173181806 808533985 /nfs/dbraw/zinc/53/39/85/808533985.db2.gz PWDNKCDSRFRBPH-WDEREUQCSA-N 1 1 296.342 3.015 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001173221751 808540118 /nfs/dbraw/zinc/54/01/18/808540118.db2.gz LQDUWDHQQKZFRQ-DFBGVHRSSA-N 1 1 298.333 3.298 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001173221751 808540123 /nfs/dbraw/zinc/54/01/23/808540123.db2.gz LQDUWDHQQKZFRQ-DFBGVHRSSA-N 1 1 298.333 3.298 20 5 CGBDMO CC(C)C[N@@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226706 808541282 /nfs/dbraw/zinc/54/12/82/808541282.db2.gz NMMUNJJNKWXHKG-LBPRGKRZSA-N 1 1 250.342 3.114 20 5 CGBDMO CC[N@@H+](Cc1ccncc1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226113 808541574 /nfs/dbraw/zinc/54/15/74/808541574.db2.gz LBSXVUPNBBXUCQ-CQSZACIVSA-N 1 1 299.374 3.443 20 5 CGBDMO CO[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001173237737 808545752 /nfs/dbraw/zinc/54/57/52/808545752.db2.gz LSEIUIGXFBJRRD-XJKCOSOUSA-N 1 1 292.379 3.025 20 5 CGBDMO Cc1c(C[NH2+]Cc2noc3ccccc32)cccc1[N+](=O)[O-] ZINC001179570439 809930431 /nfs/dbraw/zinc/93/04/31/809930431.db2.gz HJIOYABLTOSYQI-UHFFFAOYSA-N 1 1 297.314 3.334 20 5 CGBDMO CC[C@](C)(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)OC ZINC001179913626 809956494 /nfs/dbraw/zinc/95/64/94/809956494.db2.gz ATEVOEZBRKAHBC-MRXNPFEDSA-N 1 1 292.379 3.374 20 5 CGBDMO CC[C@H]1C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H](C)O1 ZINC001180280836 809988953 /nfs/dbraw/zinc/98/89/53/809988953.db2.gz NRYCZSFRMRSHRW-OCCSQVGLSA-N 1 1 292.379 3.211 20 5 CGBDMO CC[C@H]1C[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H](C)O1 ZINC001180280836 809988954 /nfs/dbraw/zinc/98/89/54/809988954.db2.gz NRYCZSFRMRSHRW-OCCSQVGLSA-N 1 1 292.379 3.211 20 5 CGBDMO CC[C@@H](C)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001191521627 810722474 /nfs/dbraw/zinc/72/24/74/810722474.db2.gz UCISKNKXWKWPDD-NEPJUHHUSA-N 1 1 262.353 3.388 20 5 CGBDMO C[C@H]1CC(C)(C)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001195195882 811224093 /nfs/dbraw/zinc/22/40/93/811224093.db2.gz JEUXFNQKMGGZCJ-LBPRGKRZSA-N 1 1 278.352 3.094 20 5 CGBDMO C[N@H+]1CCc2ccc(Nc3ccccc3[N+](=O)[O-])cc2C1 ZINC001206187612 813232545 /nfs/dbraw/zinc/23/25/45/813232545.db2.gz IIQNCHGYOWDNOH-UHFFFAOYSA-N 1 1 283.331 3.326 20 5 CGBDMO C[N@@H+]1CC=C(Nc2cccc3nc4ccccc4nc32)CC1 ZINC001208909572 813894844 /nfs/dbraw/zinc/89/48/44/813894844.db2.gz CFQHDIJGXSNUIE-UHFFFAOYSA-N 1 1 290.370 3.414 20 5 CGBDMO Cc1[nH+]c2c(Nc3ccc(N)c([N+](=O)[O-])c3)cccn2c1C ZINC001209934100 814203087 /nfs/dbraw/zinc/20/30/87/814203087.db2.gz IRDSRJUVGVOGTF-UHFFFAOYSA-N 1 1 297.318 3.185 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(C)c1OC1CC[NH+](CCF)CC1 ZINC001228570591 817941732 /nfs/dbraw/zinc/94/17/32/817941732.db2.gz FOUWFDSQPVCABZ-UHFFFAOYSA-N 1 1 296.342 3.024 20 5 CGBDMO CC[N@H+]1CCC[C@H](Oc2cc(C)c([N+](=O)[O-])c(C)c2C)C1 ZINC001234870101 818940650 /nfs/dbraw/zinc/94/06/50/818940650.db2.gz FJSUHFQURNRNQS-AWEZNQCLSA-N 1 1 292.379 3.383 20 5 CGBDMO CC(C)C[N@@H+](Cc1cccnc1[N+](=O)[O-])CC(C)(C)C ZINC001459768167 937499472 /nfs/dbraw/zinc/49/94/72/937499472.db2.gz JFKXOSVATJYHIT-UHFFFAOYSA-N 1 1 279.384 3.494 20 5 CGBDMO CC[N@H+]1CC[C@H](Oc2cc(C)c(Cl)cc2[N+](=O)[O-])C1 ZINC001229976598 932515478 /nfs/dbraw/zinc/51/54/78/932515478.db2.gz ZURBKZGUGFACMU-JTQLQIEISA-N 1 1 284.743 3.030 20 5 CGBDMO CC1(C)CCC[N@H+]1CCNc1c(F)cccc1[N+](=O)[O-] ZINC001472804069 937784644 /nfs/dbraw/zinc/78/46/44/937784644.db2.gz RBSJVHGTFMILJN-UHFFFAOYSA-N 1 1 281.331 3.020 20 5 CGBDMO CCC[C@@H](NCC[C@H](C)[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC001326474275 934983070 /nfs/dbraw/zinc/98/30/70/934983070.db2.gz UHTSJLZISANABV-SWLSCSKDSA-N 1 1 279.384 3.024 20 5 CGBDMO Cc1noc(C[N@@H+](C)[C@@H](C)Cc2cccs2)c1[N+](=O)[O-] ZINC001559588912 938230385 /nfs/dbraw/zinc/23/03/85/938230385.db2.gz MLNXUBSHGRWIPD-VIFPVBQESA-N 1 1 295.364 3.016 20 5 CGBDMO Cc1noc(C[N@H+](C)[C@@H](C)Cc2cccs2)c1[N+](=O)[O-] ZINC001559588912 938230386 /nfs/dbraw/zinc/23/03/86/938230386.db2.gz MLNXUBSHGRWIPD-VIFPVBQESA-N 1 1 295.364 3.016 20 5 CGBDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC001559755829 938234659 /nfs/dbraw/zinc/23/46/59/938234659.db2.gz KJKAYYYSDODMAB-OCCSQVGLSA-N 1 1 277.368 3.390 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C3CCC3)C2)cc1 ZINC000591061915 346897251 /nfs/dbraw/zinc/89/72/51/346897251.db2.gz NWTMLZYRYBQOML-AWEZNQCLSA-N 1 1 260.337 3.217 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](C3CCC3)C2)cs1 ZINC000591062206 346898165 /nfs/dbraw/zinc/89/81/65/346898165.db2.gz XPNUXKPJDJIIKP-LBPRGKRZSA-N 1 1 266.366 3.278 20 5 CGBDMO CCC[C@@H](N[C@@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000591578221 346930121 /nfs/dbraw/zinc/93/01/21/346930121.db2.gz BMKKNVAKNGLJJB-GDBMZVCRSA-N 1 1 291.395 3.168 20 5 CGBDMO COc1ccc(C[N@@H+](C)[C@H](C)CCSC)cc1[N+](=O)[O-] ZINC000126479108 187242935 /nfs/dbraw/zinc/24/29/35/187242935.db2.gz CORMVNTXIKDIMX-LLVKDONJSA-N 1 1 298.408 3.177 20 5 CGBDMO CC[N@@H+](CCSC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000592197352 346971382 /nfs/dbraw/zinc/97/13/82/346971382.db2.gz AWWIQPLLCQYNNR-NSHDSACASA-N 1 1 268.382 3.341 20 5 CGBDMO CCCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000058592307 345197781 /nfs/dbraw/zinc/19/77/81/345197781.db2.gz SSADJZPBWSCJHG-UHFFFAOYSA-N 1 1 278.352 3.238 20 5 CGBDMO COc1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000065162717 345269134 /nfs/dbraw/zinc/26/91/34/345269134.db2.gz SSDRRIQVGKHRSP-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO COc1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000065162717 345269136 /nfs/dbraw/zinc/26/91/36/345269136.db2.gz SSDRRIQVGKHRSP-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000075768746 232176083 /nfs/dbraw/zinc/17/60/83/232176083.db2.gz NCVXCNRLYUKRMF-ZFWWWQNUSA-N 1 1 260.337 3.359 20 5 CGBDMO CN(C)c1ccccc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000072582868 345413612 /nfs/dbraw/zinc/41/36/12/345413612.db2.gz SBPCVTZQUKJZDE-UHFFFAOYSA-N 1 1 299.374 3.293 20 5 CGBDMO CCC(C)(C)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000074320650 345466380 /nfs/dbraw/zinc/46/63/80/345466380.db2.gz LDPGRNDSQPHVOJ-UHFFFAOYSA-N 1 1 250.342 3.258 20 5 CGBDMO Cc1[nH+]c2cc(Nc3ncc([N+](=O)[O-])cc3C)ccc2n1C ZINC000092658928 345850211 /nfs/dbraw/zinc/85/02/11/345850211.db2.gz QNZFAPJSRJIAJR-UHFFFAOYSA-N 1 1 297.318 3.237 20 5 CGBDMO Cc1c(C[N@H+](C)[C@@H](C)c2ccncc2)cccc1[N+](=O)[O-] ZINC000127548236 187315343 /nfs/dbraw/zinc/31/53/43/187315343.db2.gz PPGXSZDOHZPZOH-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO C[N@H+]1CCC[C@@H](CNc2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000313990517 346481243 /nfs/dbraw/zinc/48/12/43/346481243.db2.gz RKDBDBGBRZSQSQ-JTQLQIEISA-N 1 1 299.321 3.286 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCCCF)C1CC1 ZINC000351750805 219196105 /nfs/dbraw/zinc/19/61/05/219196105.db2.gz BGTBKYGJWCHUOL-UHFFFAOYSA-N 1 1 266.316 3.309 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](F)C1 ZINC000593698039 347105517 /nfs/dbraw/zinc/10/55/17/347105517.db2.gz ZKSLQXWTKCHIAN-CEFACKQISA-N 1 1 278.327 3.432 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](F)C1 ZINC000593698039 347105521 /nfs/dbraw/zinc/10/55/21/347105521.db2.gz ZKSLQXWTKCHIAN-CEFACKQISA-N 1 1 278.327 3.432 20 5 CGBDMO CC(C)=CCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000595483899 347310407 /nfs/dbraw/zinc/31/04/07/347310407.db2.gz IZYHKJNPNCNIBT-UHFFFAOYSA-N 1 1 262.353 3.425 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000596305785 347413452 /nfs/dbraw/zinc/41/34/52/347413452.db2.gz AKYAMISHSJNCDT-NSHDSACASA-N 1 1 281.331 3.019 20 5 CGBDMO Cc1cc(N2CCC3(CCC[N@@H+]3C)CC2)c([N+](=O)[O-])s1 ZINC000596182029 347395169 /nfs/dbraw/zinc/39/51/69/347395169.db2.gz KFLQMZOYGFALLF-UHFFFAOYSA-N 1 1 295.408 3.029 20 5 CGBDMO Cc1cc(NC[C@@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])s1 ZINC000599140871 347720568 /nfs/dbraw/zinc/72/05/68/347720568.db2.gz ISBJTOKBELBUFD-NSHDSACASA-N 1 1 283.397 3.109 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2c(O)cccc2C1 ZINC000599646381 347761610 /nfs/dbraw/zinc/76/16/10/347761610.db2.gz JEANTRHZYQIVJE-LBPRGKRZSA-N 1 1 298.342 3.420 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(O)cccc2C1 ZINC000599646381 347761612 /nfs/dbraw/zinc/76/16/12/347761612.db2.gz JEANTRHZYQIVJE-LBPRGKRZSA-N 1 1 298.342 3.420 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@]1(C)CCCS1 ZINC000600155087 347785430 /nfs/dbraw/zinc/78/54/30/347785430.db2.gz DAUGEPRWUYAJIR-HNNXBMFYSA-N 1 1 294.420 3.355 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000601191702 347878898 /nfs/dbraw/zinc/87/88/98/347878898.db2.gz PVIWDPZSBHMGBB-JTQLQIEISA-N 1 1 283.397 3.189 20 5 CGBDMO CCC1(CC)C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602689775 348009763 /nfs/dbraw/zinc/00/97/63/348009763.db2.gz HZJXLJZMQBMZFK-UHFFFAOYSA-N 1 1 289.335 3.358 20 5 CGBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000610133415 348363996 /nfs/dbraw/zinc/36/39/96/348363996.db2.gz OAFKJHUMZQHIOH-NXEZZACHSA-N 1 1 268.744 3.479 20 5 CGBDMO C[C@H]1C[C@H](C)[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610133375 348364050 /nfs/dbraw/zinc/36/40/50/348364050.db2.gz LHSBMBUISJBAFV-STQMWFEESA-N 1 1 278.352 3.094 20 5 CGBDMO CC[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581403 348391161 /nfs/dbraw/zinc/39/11/61/348391161.db2.gz SXUQROGBQMOTKM-JTQLQIEISA-N 1 1 275.308 3.110 20 5 CGBDMO Cc1[nH+]ccn1CCSc1ccc([N+](=O)[O-])cc1F ZINC000610734809 348400304 /nfs/dbraw/zinc/40/03/04/348400304.db2.gz NPAPYIUUWGWBEF-UHFFFAOYSA-N 1 1 281.312 3.031 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@@H](C)C(C)C)ccc1[N+](=O)[O-] ZINC000351971608 219270423 /nfs/dbraw/zinc/27/04/23/219270423.db2.gz UVINRCWSLAXJBM-NSHDSACASA-N 1 1 266.341 3.080 20 5 CGBDMO CC(C)[N@@H+](C)CC1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611411819 348448692 /nfs/dbraw/zinc/44/86/92/348448692.db2.gz SDVLKZAHHSVEDY-UHFFFAOYSA-N 1 1 297.424 3.213 20 5 CGBDMO C[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611501828 348457014 /nfs/dbraw/zinc/45/70/14/348457014.db2.gz ISNLZLBFDPWXEN-WFASDCNBSA-N 1 1 296.342 3.044 20 5 CGBDMO CO[C@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000611941925 348482325 /nfs/dbraw/zinc/48/23/25/348482325.db2.gz FCGUOEMCDVHKLB-OLZOCXBDSA-N 1 1 278.352 3.157 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)cs1 ZINC000291590276 198044612 /nfs/dbraw/zinc/04/46/12/198044612.db2.gz PRWNVVJSRSRJRW-CYBMUJFWSA-N 1 1 278.377 3.421 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)cs1 ZINC000291590276 198044614 /nfs/dbraw/zinc/04/46/14/198044614.db2.gz PRWNVVJSRSRJRW-CYBMUJFWSA-N 1 1 278.377 3.421 20 5 CGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC4(CCC4)C3)nc2c1 ZINC000123184640 187076218 /nfs/dbraw/zinc/07/62/18/187076218.db2.gz WRFADFPBHJTTPS-UHFFFAOYSA-N 1 1 287.319 3.112 20 5 CGBDMO COC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000122623016 187041854 /nfs/dbraw/zinc/04/18/54/187041854.db2.gz PURWSEANJRZZDF-LBPRGKRZSA-N 1 1 298.770 3.107 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCSC3(CCC3)CC2)cc1 ZINC000411872611 235089442 /nfs/dbraw/zinc/08/94/42/235089442.db2.gz VWEGLIMRRNFHOR-UHFFFAOYSA-N 1 1 292.404 3.456 20 5 CGBDMO Cc1ccc(NCC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000413431571 235277755 /nfs/dbraw/zinc/27/77/55/235277755.db2.gz BCJVDYRSEIEVDW-ZDUSSCGKSA-N 1 1 277.368 3.047 20 5 CGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H]3CCC[C@@H]32)cc1 ZINC000426475299 236297795 /nfs/dbraw/zinc/29/77/95/236297795.db2.gz XVOKPRMQMJNIMA-CJNGLKHVSA-N 1 1 290.363 3.238 20 5 CGBDMO CC(C)[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000310919039 138583081 /nfs/dbraw/zinc/58/30/81/138583081.db2.gz GULYDUHDCUFFCY-JTQLQIEISA-N 1 1 254.305 3.210 20 5 CGBDMO C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000341186371 215866017 /nfs/dbraw/zinc/86/60/17/215866017.db2.gz YECVCZANXIDLQG-JTQLQIEISA-N 1 1 268.744 3.480 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000341186371 215866020 /nfs/dbraw/zinc/86/60/20/215866020.db2.gz YECVCZANXIDLQG-JTQLQIEISA-N 1 1 268.744 3.480 20 5 CGBDMO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCF)c2ccccc2)c1 ZINC000436296398 237074105 /nfs/dbraw/zinc/07/41/05/237074105.db2.gz UOVSURQIJJQXHQ-HNNXBMFYSA-N 1 1 274.295 3.243 20 5 CGBDMO Cc1ccc(N[C@@H]2CC[N@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301432793 201007117 /nfs/dbraw/zinc/00/71/17/201007117.db2.gz HRROPJZTBBQYHV-CYBMUJFWSA-N 1 1 289.379 3.332 20 5 CGBDMO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000119503381 370680927 /nfs/dbraw/zinc/68/09/27/370680927.db2.gz XBHRFUJHECJSJS-STMXVASLSA-N 1 1 290.363 3.107 20 5 CGBDMO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000119503381 370680930 /nfs/dbraw/zinc/68/09/30/370680930.db2.gz XBHRFUJHECJSJS-STMXVASLSA-N 1 1 290.363 3.107 20 5 CGBDMO O=[N+]([O-])c1ccsc1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000301984746 201287346 /nfs/dbraw/zinc/28/73/46/201287346.db2.gz CEGHJJIJCQHJST-GFCCVEGCSA-N 1 1 295.408 3.333 20 5 CGBDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000120489942 370772451 /nfs/dbraw/zinc/77/24/51/370772451.db2.gz XIIDMHYFVLWULA-VXGBXAGGSA-N 1 1 298.408 3.292 20 5 CGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000120489942 370772460 /nfs/dbraw/zinc/77/24/60/370772460.db2.gz XIIDMHYFVLWULA-VXGBXAGGSA-N 1 1 298.408 3.292 20 5 CGBDMO CC(C)OCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451576523 240330152 /nfs/dbraw/zinc/33/01/52/240330152.db2.gz UFWOZGADJKQWMO-OAHLLOKOSA-N 1 1 292.379 3.199 20 5 CGBDMO Cc1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461959057 242320330 /nfs/dbraw/zinc/32/03/30/242320330.db2.gz RUKMRZRIEKVZJT-GHMZBOCLSA-N 1 1 293.342 3.079 20 5 CGBDMO CC[C@H]1[C@H](C)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000481392156 243190630 /nfs/dbraw/zinc/19/06/30/243190630.db2.gz RZBKULRNWUVLIW-DOMZBBRYSA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000033394646 368963339 /nfs/dbraw/zinc/96/33/39/368963339.db2.gz JEORQQLXFZZLLJ-DMTLFAOVSA-N 1 1 260.337 3.340 20 5 CGBDMO C[N@H+](C/C=C\c1ccncc1)Cc1ccccc1[N+](=O)[O-] ZINC000495069700 244353044 /nfs/dbraw/zinc/35/30/44/244353044.db2.gz MXYCLVNUXLNNSX-PLNGDYQASA-N 1 1 283.331 3.135 20 5 CGBDMO C[N@@H+](C/C=C\c1ccncc1)Cc1ccccc1[N+](=O)[O-] ZINC000495069700 244353050 /nfs/dbraw/zinc/35/30/50/244353050.db2.gz MXYCLVNUXLNNSX-PLNGDYQASA-N 1 1 283.331 3.135 20 5 CGBDMO C[C@@H]([N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1)C1(C)CC1 ZINC000276319150 193286404 /nfs/dbraw/zinc/28/64/04/193286404.db2.gz ODCYQECLNPMRPS-SNVBAGLBSA-N 1 1 266.316 3.354 20 5 CGBDMO Cc1ncsc1C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000066564756 369697546 /nfs/dbraw/zinc/69/75/46/369697546.db2.gz GDDKKFFEXBGQIW-UHFFFAOYSA-N 1 1 291.376 3.300 20 5 CGBDMO Cc1ncsc1C[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000066564756 369697549 /nfs/dbraw/zinc/69/75/49/369697549.db2.gz GDDKKFFEXBGQIW-UHFFFAOYSA-N 1 1 291.376 3.300 20 5 CGBDMO CC[C@@H](CSC)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000091098050 370071881 /nfs/dbraw/zinc/07/18/81/370071881.db2.gz DYCSGORURIHVHE-JTQLQIEISA-N 1 1 286.372 3.307 20 5 CGBDMO CC[C@@H](CSC)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000091098050 370071883 /nfs/dbraw/zinc/07/18/83/370071883.db2.gz DYCSGORURIHVHE-JTQLQIEISA-N 1 1 286.372 3.307 20 5 CGBDMO Cc1ccc([C@@H](C)NC[C@@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000130914998 371070319 /nfs/dbraw/zinc/07/03/19/371070319.db2.gz RBONBRARLVZGBG-CHWSQXEVSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1ccc([C@@H](C)NC[C@@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000130914998 371070326 /nfs/dbraw/zinc/07/03/26/371070326.db2.gz RBONBRARLVZGBG-CHWSQXEVSA-N 1 1 291.395 3.037 20 5 CGBDMO CCCC[N@@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000132668633 371192350 /nfs/dbraw/zinc/19/23/50/371192350.db2.gz ISWYZXCEVKZRPQ-UHFFFAOYSA-N 1 1 293.367 3.045 20 5 CGBDMO CC[C@H]1CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000331939867 204315208 /nfs/dbraw/zinc/31/52/08/204315208.db2.gz JEYUYKQDLTVZRD-ZDUSSCGKSA-N 1 1 278.352 3.366 20 5 CGBDMO CC[C@H]1CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000331939867 204315213 /nfs/dbraw/zinc/31/52/13/204315213.db2.gz JEYUYKQDLTVZRD-ZDUSSCGKSA-N 1 1 278.352 3.366 20 5 CGBDMO CCc1nc(N[C@@H](C)c2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000286680171 371537921 /nfs/dbraw/zinc/53/79/21/371537921.db2.gz ZJNFMDFOSWOFFR-NSHDSACASA-N 1 1 286.335 3.429 20 5 CGBDMO CCOc1cccc(NCC[N@@H+](C)[C@H](C)CC)c1[N+](=O)[O-] ZINC000220314365 376207796 /nfs/dbraw/zinc/20/77/96/376207796.db2.gz HOTDVMDKGZBMBL-GFCCVEGCSA-N 1 1 295.383 3.136 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153169342 371754140 /nfs/dbraw/zinc/75/41/40/371754140.db2.gz BRVLLPAXYLXEFN-FPMFFAJLSA-N 1 1 260.337 3.388 20 5 CGBDMO COCCCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153251467 371758472 /nfs/dbraw/zinc/75/84/72/371758472.db2.gz RJZCDMGBDDHLNT-UHFFFAOYSA-N 1 1 292.379 3.376 20 5 CGBDMO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nn1C ZINC000337363281 214031901 /nfs/dbraw/zinc/03/19/01/214031901.db2.gz AFPXKWXHAJWXPK-VXGBXAGGSA-N 1 1 288.351 3.049 20 5 CGBDMO CC(C)[N@@H+](C)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000289799772 371826373 /nfs/dbraw/zinc/82/63/73/371826373.db2.gz MDHWEQQCPKAVTC-LLVKDONJSA-N 1 1 299.802 3.067 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000290401817 371982872 /nfs/dbraw/zinc/98/28/72/371982872.db2.gz JKSDQJMSFXFYJL-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000290401817 371982878 /nfs/dbraw/zinc/98/28/78/371982878.db2.gz JKSDQJMSFXFYJL-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000344154795 217078120 /nfs/dbraw/zinc/07/81/20/217078120.db2.gz YZIQBUYGTFPFAX-CQSZACIVSA-N 1 1 290.363 3.225 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000428458191 372210582 /nfs/dbraw/zinc/21/05/82/372210582.db2.gz KNVOLOZLOKBLSU-WFASDCNBSA-N 1 1 260.337 3.278 20 5 CGBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000344436044 217191095 /nfs/dbraw/zinc/19/10/95/217191095.db2.gz PHFHNFYKADGRJX-CQSZACIVSA-N 1 1 292.383 3.056 20 5 CGBDMO CC1(C)CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000171671568 372803775 /nfs/dbraw/zinc/80/37/75/372803775.db2.gz FBTZHAPACYXIHI-UHFFFAOYSA-N 1 1 252.289 3.108 20 5 CGBDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000171921052 372854220 /nfs/dbraw/zinc/85/42/20/372854220.db2.gz VCZNVWXPUNCPAQ-GFCCVEGCSA-N 1 1 271.320 3.183 20 5 CGBDMO CO[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295852384 372935861 /nfs/dbraw/zinc/93/58/61/372935861.db2.gz DQGXSESYTPLSAD-SWLSCSKDSA-N 1 1 292.379 3.403 20 5 CGBDMO COc1ccc(C[N@H+]2CCCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000353499926 220120910 /nfs/dbraw/zinc/12/09/10/220120910.db2.gz FEMHZGVCJDTIHK-LBPRGKRZSA-N 1 1 278.352 3.368 20 5 CGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000441441580 373013516 /nfs/dbraw/zinc/01/35/16/373013516.db2.gz XGLHSGVZUCOXSM-BBRMVZONSA-N 1 1 290.363 3.238 20 5 CGBDMO Cc1[nH+]ccn1CCCOc1ccc([N+](=O)[O-])cc1Cl ZINC000298522539 373346443 /nfs/dbraw/zinc/34/64/43/373346443.db2.gz UXGPRGVYDKMCOG-UHFFFAOYSA-N 1 1 295.726 3.222 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000305842845 374119474 /nfs/dbraw/zinc/11/94/74/374119474.db2.gz RQDLPMYGDDOAJR-MELADBBJSA-N 1 1 292.379 3.057 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](CCCO)C1 ZINC000452113471 374238271 /nfs/dbraw/zinc/23/82/71/374238271.db2.gz CAGFIQBYGBKVRI-KBPBESRZSA-N 1 1 292.379 3.059 20 5 CGBDMO C[C@@H]([NH2+]Cc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000315077946 374324872 /nfs/dbraw/zinc/32/48/72/374324872.db2.gz PQVWJBIVZHUUSI-LLVKDONJSA-N 1 1 296.330 3.322 20 5 CGBDMO C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)c1cccc([N+](=O)[O-])c1 ZINC000453363109 374450501 /nfs/dbraw/zinc/45/05/01/374450501.db2.gz QHKWISXNHLXRPZ-SNVBAGLBSA-N 1 1 287.319 3.311 20 5 CGBDMO COCC1=CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000185887143 374761778 /nfs/dbraw/zinc/76/17/78/374761778.db2.gz SVRARMYXUVKXIZ-CYBMUJFWSA-N 1 1 290.363 3.243 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@H](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000464678279 374891671 /nfs/dbraw/zinc/89/16/71/374891671.db2.gz ONZPKDFMCDXVCP-NSHDSACASA-N 1 1 296.342 3.220 20 5 CGBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1(C)CCCC1 ZINC000489888452 375319588 /nfs/dbraw/zinc/31/95/88/375319588.db2.gz RSWAAAGJDQKWLM-UHFFFAOYSA-N 1 1 266.316 3.498 20 5 CGBDMO CCCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCOC ZINC000536673552 376118605 /nfs/dbraw/zinc/11/86/05/376118605.db2.gz LDJAELBJMDEUTF-CLFYSBASSA-N 1 1 292.379 3.357 20 5 CGBDMO Cc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000224109758 376272598 /nfs/dbraw/zinc/27/25/98/376272598.db2.gz UMUXGTWZPATWJF-YDHLFZDLSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000224109758 376272606 /nfs/dbraw/zinc/27/26/06/376272606.db2.gz UMUXGTWZPATWJF-YDHLFZDLSA-N 1 1 291.395 3.037 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000246562299 377053012 /nfs/dbraw/zinc/05/30/12/377053012.db2.gz DONKBQNILSTOGJ-ZJUUUORDSA-N 1 1 254.355 3.277 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000341107803 377401590 /nfs/dbraw/zinc/40/15/90/377401590.db2.gz SAJYWOPBJVCVJP-TXEJJXNPSA-N 1 1 295.358 3.409 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000252672968 377646961 /nfs/dbraw/zinc/64/69/61/377646961.db2.gz FTMRZTHFYRGUOM-MNOVXSKESA-N 1 1 295.770 3.287 20 5 CGBDMO CO[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1C ZINC000342716402 377751560 /nfs/dbraw/zinc/75/15/60/377751560.db2.gz DJYPZUBVZQHUGZ-QMTHXVAHSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1C ZINC000342716402 377751569 /nfs/dbraw/zinc/75/15/69/377751569.db2.gz DJYPZUBVZQHUGZ-QMTHXVAHSA-N 1 1 298.770 3.105 20 5 CGBDMO C[C@@H]1c2cccn2CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255917283 377787865 /nfs/dbraw/zinc/78/78/65/377787865.db2.gz DLDSMOUSSKRHJB-HJHHMULASA-N 1 1 297.358 3.486 20 5 CGBDMO C[C@@H]1c2cccn2CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255917283 377787871 /nfs/dbraw/zinc/78/78/71/377787871.db2.gz DLDSMOUSSKRHJB-HJHHMULASA-N 1 1 297.358 3.486 20 5 CGBDMO CCC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000343948590 378141764 /nfs/dbraw/zinc/14/17/64/378141764.db2.gz IJQOPGPIQQXNNZ-LBPRGKRZSA-N 1 1 281.331 3.020 20 5 CGBDMO CCOCC[N@@H+](CC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000270690438 378389353 /nfs/dbraw/zinc/38/93/53/378389353.db2.gz CBPOAJOIOACUJW-LBPRGKRZSA-N 1 1 266.341 3.014 20 5 CGBDMO CC(C)[N@@H+](CCOC1CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000346837478 218031278 /nfs/dbraw/zinc/03/12/78/218031278.db2.gz OSWWHGNFDUHUJL-UHFFFAOYSA-N 1 1 292.379 3.374 20 5 CGBDMO CC[C@@]1(CO)CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000275150413 378945473 /nfs/dbraw/zinc/94/54/73/378945473.db2.gz PIUSKYGPPIMGKL-XJKSGUPXSA-N 1 1 292.379 3.140 20 5 CGBDMO C[N@H+](C/C=C\c1ccncc1)CCc1ccccc1[N+](=O)[O-] ZINC000348675041 379015075 /nfs/dbraw/zinc/01/50/75/379015075.db2.gz PLOTVQUFDWVBFV-PLNGDYQASA-N 1 1 297.358 3.178 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000370718692 379060083 /nfs/dbraw/zinc/06/00/83/379060083.db2.gz FMHTVVUEBYUZBH-INIZCTEOSA-N 1 1 297.358 3.054 20 5 CGBDMO C[C@H]([NH2+][C@H](CO)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000349411579 379273417 /nfs/dbraw/zinc/27/34/17/379273417.db2.gz KYHDCWXYLMCKBH-IINYFYTJSA-N 1 1 292.360 3.041 20 5 CGBDMO CO[C@@H](C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000349961655 379461367 /nfs/dbraw/zinc/46/13/67/379461367.db2.gz BPGIWRJLSYDPBR-ZDUSSCGKSA-N 1 1 280.368 3.149 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccoc1 ZINC000349974373 379467971 /nfs/dbraw/zinc/46/79/71/379467971.db2.gz MNMOBYQLDFXIMP-UHFFFAOYSA-N 1 1 260.293 3.128 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccoc1 ZINC000349974373 379467977 /nfs/dbraw/zinc/46/79/77/379467977.db2.gz MNMOBYQLDFXIMP-UHFFFAOYSA-N 1 1 260.293 3.128 20 5 CGBDMO CO[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000377235265 379650672 /nfs/dbraw/zinc/65/06/72/379650672.db2.gz CGOOQNACXOYDFS-SZTZYQKNSA-N 1 1 290.363 3.109 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000388232372 379882552 /nfs/dbraw/zinc/88/25/52/379882552.db2.gz BEFIXABKXHWSCE-UHFFFAOYSA-N 1 1 266.316 3.498 20 5 CGBDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352780064 379956155 /nfs/dbraw/zinc/95/61/55/379956155.db2.gz RLAZUPIAYXVWIF-LBPRGKRZSA-N 1 1 298.408 3.177 20 5 CGBDMO CC[N@H+]1CC[C@H](N(C)c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000354355545 380411113 /nfs/dbraw/zinc/41/11/13/380411113.db2.gz VNGIROIMEZMROV-AAEUAGOBSA-N 1 1 295.358 3.043 20 5 CGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000360479022 381556295 /nfs/dbraw/zinc/55/62/95/381556295.db2.gz UQBULOKSTCADEO-AAEUAGOBSA-N 1 1 278.352 3.224 20 5 CGBDMO Cc1ccncc1C[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000361424209 381741736 /nfs/dbraw/zinc/74/17/36/381741736.db2.gz YQZRPDLZSOMDNJ-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1ccncc1C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000361424209 381741742 /nfs/dbraw/zinc/74/17/42/381741742.db2.gz YQZRPDLZSOMDNJ-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC2(CCO2)CC1 ZINC000370005753 382406394 /nfs/dbraw/zinc/40/63/94/382406394.db2.gz GXHAUKVWQJOEHE-UHFFFAOYSA-N 1 1 296.754 3.003 20 5 CGBDMO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCOC(C)(C)C1 ZINC000289369615 197315577 /nfs/dbraw/zinc/31/55/77/197315577.db2.gz BBUMRSZVMMFAGT-LBPRGKRZSA-N 1 1 298.408 3.436 20 5 CGBDMO CO[C@@H](C)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000353777573 220325759 /nfs/dbraw/zinc/32/57/59/220325759.db2.gz BRHRGHJRWLCFKP-LEJCZOIISA-N 1 1 292.379 3.353 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000426769385 533221283 /nfs/dbraw/zinc/22/12/83/533221283.db2.gz ILMBHBMXCPJVFQ-BETUJISGSA-N 1 1 290.363 3.225 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000050351981 392063646 /nfs/dbraw/zinc/06/36/46/392063646.db2.gz MTJDSAROJUMVGB-JTQLQIEISA-N 1 1 295.770 3.144 20 5 CGBDMO CC(C)c1[nH+]ccn1CCc1ccc([N+](=O)[O-])cc1 ZINC000070422957 392182141 /nfs/dbraw/zinc/18/21/41/392182141.db2.gz JROIERAWGJYBIQ-UHFFFAOYSA-N 1 1 259.309 3.157 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCCCO1 ZINC000263921528 131361224 /nfs/dbraw/zinc/36/12/24/131361224.db2.gz ZEIXJGHVSAQWSB-SWLSCSKDSA-N 1 1 278.352 3.157 20 5 CGBDMO CC[N@H+](Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000505906666 392705156 /nfs/dbraw/zinc/70/51/56/392705156.db2.gz DXLDFNHLTMQJGH-UHFFFAOYSA-N 1 1 286.331 3.323 20 5 CGBDMO CC[N@@H+](Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000505906666 392705162 /nfs/dbraw/zinc/70/51/62/392705162.db2.gz DXLDFNHLTMQJGH-UHFFFAOYSA-N 1 1 286.331 3.323 20 5 CGBDMO C[C@@H]1CC[C@@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000191026394 392819352 /nfs/dbraw/zinc/81/93/52/392819352.db2.gz CDHQHVUYGATGJT-WBMJQRKESA-N 1 1 290.363 3.127 20 5 CGBDMO CCC[N@@H+](CC)CCNc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000221027810 393004986 /nfs/dbraw/zinc/00/49/86/393004986.db2.gz SJDWCWUKWUFWSD-UHFFFAOYSA-N 1 1 295.383 3.137 20 5 CGBDMO CO[C@H](C)C[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000348835766 393132672 /nfs/dbraw/zinc/13/26/72/393132672.db2.gz UMOITURFLBBBQE-GFCCVEGCSA-N 1 1 280.368 3.185 20 5 CGBDMO C[C@@H]1C[C@H](C)[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000547769146 393146427 /nfs/dbraw/zinc/14/64/27/393146427.db2.gz ZVGGIVUMIOFBRR-PHIMTYICSA-N 1 1 287.319 3.233 20 5 CGBDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000547769146 393146431 /nfs/dbraw/zinc/14/64/31/393146431.db2.gz ZVGGIVUMIOFBRR-PHIMTYICSA-N 1 1 287.319 3.233 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@](C)(F)C1 ZINC000470175723 393229625 /nfs/dbraw/zinc/22/96/25/393229625.db2.gz FKLJLQCFKDHMKU-JQVXPOPVSA-N 1 1 278.327 3.432 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1cccn1C ZINC000470177210 393231807 /nfs/dbraw/zinc/23/18/07/393231807.db2.gz QJYFEAKKROKDJX-GXDHUFHOSA-N 1 1 299.374 3.469 20 5 CGBDMO C[C@H]([N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(C)CC1 ZINC000548180244 393187501 /nfs/dbraw/zinc/18/75/01/393187501.db2.gz WKROGDHCSASTHQ-JTQLQIEISA-N 1 1 288.351 3.092 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000430212131 393541125 /nfs/dbraw/zinc/54/11/25/393541125.db2.gz ZOCJIDKLDHQMPI-RYUDHWBXSA-N 1 1 278.352 3.081 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000429582173 393488832 /nfs/dbraw/zinc/48/88/32/393488832.db2.gz ZVDPPTDTYQXJGJ-DGCLKSJQSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@H]1CCSCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000429769293 393500831 /nfs/dbraw/zinc/50/08/31/393500831.db2.gz VISSXZRAPMBSQC-JTQLQIEISA-N 1 1 284.356 3.061 20 5 CGBDMO C[C@H]1CCSCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000429769293 393500836 /nfs/dbraw/zinc/50/08/36/393500836.db2.gz VISSXZRAPMBSQC-JTQLQIEISA-N 1 1 284.356 3.061 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000430109913 393523832 /nfs/dbraw/zinc/52/38/32/393523832.db2.gz WJMARJKIWUUNRN-UONOGXRCSA-N 1 1 296.317 3.380 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000491144684 393667999 /nfs/dbraw/zinc/66/79/99/393667999.db2.gz ZJDLFKOIAYWQRL-NSHDSACASA-N 1 1 280.755 3.480 20 5 CGBDMO CCOc1cc(C[N@H+]2CC[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000492626698 393765195 /nfs/dbraw/zinc/76/51/95/393765195.db2.gz BKTSOVAJLRXITL-LBPRGKRZSA-N 1 1 278.352 3.225 20 5 CGBDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444708521 393790673 /nfs/dbraw/zinc/79/06/73/393790673.db2.gz RKKFWXBQDLDDKZ-QWRGUYRKSA-N 1 1 288.351 3.092 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC000449532002 393885099 /nfs/dbraw/zinc/88/50/99/393885099.db2.gz CPYZUNCAJUOFKD-JKSUJKDBSA-N 1 1 272.348 3.215 20 5 CGBDMO Cc1c(C[N@@H+]2CC[C@H](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000501787352 393860337 /nfs/dbraw/zinc/86/03/37/393860337.db2.gz WHAGEWUEVIRQFP-NWDGAFQWSA-N 1 1 262.353 3.381 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@H](C)C2(C)CC2)c([N+](=O)[O-])cc1F ZINC000184233749 286217603 /nfs/dbraw/zinc/21/76/03/286217603.db2.gz YZQMMTPOCQHUSM-SNVBAGLBSA-N 1 1 296.342 3.363 20 5 CGBDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000083247443 165173779 /nfs/dbraw/zinc/17/37/79/165173779.db2.gz LQALMXCYNPBVDC-OAHLLOKOSA-N 1 1 292.379 3.232 20 5 CGBDMO CCC(CC)[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)N(C)C ZINC000020202235 171066204 /nfs/dbraw/zinc/06/62/04/171066204.db2.gz RBWBJNNFJHNPQB-INIZCTEOSA-N 1 1 293.411 3.051 20 5 CGBDMO Cc1c(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000284833634 196141486 /nfs/dbraw/zinc/14/14/86/196141486.db2.gz QPOSOVMYNHHTBN-HZPDHXFCSA-N 1 1 290.363 3.047 20 5 CGBDMO CCCCOCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130847895 287364893 /nfs/dbraw/zinc/36/48/93/287364893.db2.gz JHYLKBZCNCXIEA-UHFFFAOYSA-N 1 1 292.379 3.376 20 5 CGBDMO Cc1cn2cc(Nc3ccc(F)cc3[N+](=O)[O-])ccc2[nH+]1 ZINC000524856481 270115582 /nfs/dbraw/zinc/11/55/82/270115582.db2.gz PYHWIBXZVBJTKM-UHFFFAOYSA-N 1 1 286.266 3.434 20 5 CGBDMO CC[C@H]([NH2+]Cc1ncccc1F)c1cccc([N+](=O)[O-])c1 ZINC000530529865 270200903 /nfs/dbraw/zinc/20/09/03/270200903.db2.gz GZLPCEZKTJFTHK-AWEZNQCLSA-N 1 1 289.310 3.370 20 5 CGBDMO Cc1ccc(C[N@@H+](C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000533255796 270222576 /nfs/dbraw/zinc/22/25/76/270222576.db2.gz IOCISMXIBBDFCR-UHFFFAOYSA-N 1 1 286.331 3.241 20 5 CGBDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332229333 274310511 /nfs/dbraw/zinc/31/05/11/274310511.db2.gz LNFJQISQWIWFEP-GHMZBOCLSA-N 1 1 288.351 3.092 20 5 CGBDMO Cc1[nH+]cn(Cc2cc(Cl)ccc2[N+](=O)[O-])c1C ZINC000135534708 274863251 /nfs/dbraw/zinc/86/32/51/274863251.db2.gz QJHKIOLPEXEKIO-UHFFFAOYSA-N 1 1 265.700 3.110 20 5 CGBDMO CC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H](C)OC ZINC000361557658 276140036 /nfs/dbraw/zinc/14/00/36/276140036.db2.gz BVGLISWLMSVWQC-JTQLQIEISA-N 1 1 286.759 3.105 20 5 CGBDMO CC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H](C)OC ZINC000361557658 276140038 /nfs/dbraw/zinc/14/00/38/276140038.db2.gz BVGLISWLMSVWQC-JTQLQIEISA-N 1 1 286.759 3.105 20 5 CGBDMO CC[N@@H+](C[C@H](C)OC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000291264362 276352527 /nfs/dbraw/zinc/35/25/27/276352527.db2.gz PASQQGWUEJAHRJ-RYUDHWBXSA-N 1 1 266.341 3.013 20 5 CGBDMO CC[N@@H+](C[C@H]1CCCO1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000330727907 279231445 /nfs/dbraw/zinc/23/14/45/279231445.db2.gz MKMRDUCMTHWCSF-UKRRQHHQSA-N 1 1 292.379 3.465 20 5 CGBDMO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C)C(C)C ZINC000444594705 279243234 /nfs/dbraw/zinc/24/32/34/279243234.db2.gz UXZHRTXIZUEMLN-LLVKDONJSA-N 1 1 290.367 3.338 20 5 CGBDMO Cc1cccc(N2CCC(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000275420452 281225970 /nfs/dbraw/zinc/22/59/70/281225970.db2.gz HMEHCXXZTNASKQ-UHFFFAOYSA-N 1 1 286.335 3.010 20 5 CGBDMO COC(C)(C)C[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000531575495 288340031 /nfs/dbraw/zinc/34/00/31/288340031.db2.gz GSBXDUIEKAFETK-UHFFFAOYSA-N 1 1 286.759 3.105 20 5 CGBDMO CCCC[N@@H+](C)C[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000571441555 322298885 /nfs/dbraw/zinc/29/88/85/322298885.db2.gz XCLCGALQOGRCSK-UONOGXRCSA-N 1 1 293.411 3.366 20 5 CGBDMO CCCCN(C)C[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000571441555 322298887 /nfs/dbraw/zinc/29/88/87/322298887.db2.gz XCLCGALQOGRCSK-UONOGXRCSA-N 1 1 293.411 3.366 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[C@@H]1C ZINC000571947142 322313040 /nfs/dbraw/zinc/31/30/40/322313040.db2.gz QCCPDKDPAMVLBV-JSGCOSHPSA-N 1 1 262.353 3.461 20 5 CGBDMO Cc1ncncc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000583214392 329370059 /nfs/dbraw/zinc/37/00/59/329370059.db2.gz OAQXHEDBYHDPEY-NWDGAFQWSA-N 1 1 286.335 3.105 20 5 CGBDMO Cc1cc(N[C@H](C)C[N@H+](C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000380681837 336016473 /nfs/dbraw/zinc/01/64/73/336016473.db2.gz CJQBHUBHZMAZNR-LLVKDONJSA-N 1 1 283.347 3.183 20 5 CGBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000289864640 524961464 /nfs/dbraw/zinc/96/14/64/524961464.db2.gz QLPNAZWJTFCHDQ-LLVKDONJSA-N 1 1 284.306 3.114 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)c1nccs1 ZINC000183477899 525566284 /nfs/dbraw/zinc/56/62/84/525566284.db2.gz PDLJBHREETUCCS-UHFFFAOYSA-N 1 1 291.376 3.385 20 5 CGBDMO CC(C)[N@H+](Cc1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000125627478 535109648 /nfs/dbraw/zinc/10/96/48/535109648.db2.gz VTIGSEZZSGYPKI-UHFFFAOYSA-N 1 1 285.347 3.400 20 5 CGBDMO CC(C)[N@@H+](Cc1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000125627478 535109649 /nfs/dbraw/zinc/10/96/49/535109649.db2.gz VTIGSEZZSGYPKI-UHFFFAOYSA-N 1 1 285.347 3.400 20 5 CGBDMO CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCC1 ZINC000738315116 572371733 /nfs/dbraw/zinc/37/17/33/572371733.db2.gz UFLKBYTXQXKNED-UHFFFAOYSA-N 1 1 252.289 3.108 20 5 CGBDMO C[C@@H]1CCCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000734001113 572622121 /nfs/dbraw/zinc/62/21/21/572622121.db2.gz IWINQSKPOVUICT-LLVKDONJSA-N 1 1 266.316 3.498 20 5 CGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC2(CCCC2)C1 ZINC000743863317 572692131 /nfs/dbraw/zinc/69/21/31/572692131.db2.gz DGTXEMTZBQKPHJ-UHFFFAOYSA-N 1 1 290.363 3.240 20 5 CGBDMO C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1cncs1 ZINC000934194839 618524483 /nfs/dbraw/zinc/52/44/83/618524483.db2.gz BYDXNEZYCRXQBP-QMMMGPOBSA-N 1 1 281.312 3.041 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cncs1 ZINC000934195775 618525284 /nfs/dbraw/zinc/52/52/84/618525284.db2.gz RAYTZLBVCQJEJW-MRVPVSSYSA-N 1 1 281.312 3.041 20 5 CGBDMO CC[C@@H](C)[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774260 619262636 /nfs/dbraw/zinc/26/26/36/619262636.db2.gz GEHGWYLHZBKOLQ-SNVBAGLBSA-N 1 1 254.305 3.354 20 5 CGBDMO CCc1ccc([C@@H]2CCCCC[N@H+]2CC[N+](=O)[O-])o1 ZINC000791054105 619435601 /nfs/dbraw/zinc/43/56/01/619435601.db2.gz XIIUNVMALGCGBN-ZDUSSCGKSA-N 1 1 266.341 3.036 20 5 CGBDMO Cc1cc(NCC[N@H+]2CC=CCC2)c(Cl)cc1[N+](=O)[O-] ZINC000795250280 619833648 /nfs/dbraw/zinc/83/36/48/619833648.db2.gz AHDCPKVUZFLFOJ-UHFFFAOYSA-N 1 1 295.770 3.230 20 5 CGBDMO Cc1cc(NCC[N@@H+]2CC=CCC2)c(Cl)cc1[N+](=O)[O-] ZINC000795250280 619833650 /nfs/dbraw/zinc/83/36/50/619833650.db2.gz AHDCPKVUZFLFOJ-UHFFFAOYSA-N 1 1 295.770 3.230 20 5 CGBDMO CO[C@H]1CC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000895928899 619909993 /nfs/dbraw/zinc/90/99/93/619909993.db2.gz VKJVXOPDZGFPKK-PWSUYJOCSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000895928899 619909995 /nfs/dbraw/zinc/90/99/95/619909995.db2.gz VKJVXOPDZGFPKK-PWSUYJOCSA-N 1 1 298.770 3.248 20 5 CGBDMO CC(C)c1[nH+]ccn1CCNc1ccc([N+](=O)[O-])cc1F ZINC000895988088 619921676 /nfs/dbraw/zinc/92/16/76/619921676.db2.gz KFAHUBJPOUVEHC-UHFFFAOYSA-N 1 1 292.314 3.166 20 5 CGBDMO C[N@H+]1CCC[C@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000054241210 620085336 /nfs/dbraw/zinc/08/53/36/620085336.db2.gz AEDMOJJKPPWRKR-SNVBAGLBSA-N 1 1 283.759 3.002 20 5 CGBDMO COc1cc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000924800299 621954505 /nfs/dbraw/zinc/95/45/05/621954505.db2.gz XRRKDQCRXQKXAG-UWVGGRQHSA-N 1 1 291.307 3.003 20 5 CGBDMO CCC[N@@H+](CC)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000223236266 622857236 /nfs/dbraw/zinc/85/72/36/622857236.db2.gz GYIVMZYUYCYOBJ-UHFFFAOYSA-N 1 1 299.802 3.070 20 5 CGBDMO CC[C@H](C)C[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000171951317 623205187 /nfs/dbraw/zinc/20/51/87/623205187.db2.gz IZGJFXIBVAWQDK-JTQLQIEISA-N 1 1 254.305 3.212 20 5 CGBDMO CC(C)[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCS1 ZINC000174335527 623384348 /nfs/dbraw/zinc/38/43/48/623384348.db2.gz IUDKZINGAGQGPC-CQSZACIVSA-N 1 1 298.383 3.307 20 5 CGBDMO CC(C)[C@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCS1 ZINC000174335527 623384355 /nfs/dbraw/zinc/38/43/55/623384355.db2.gz IUDKZINGAGQGPC-CQSZACIVSA-N 1 1 298.383 3.307 20 5 CGBDMO CC(C)(C)OCCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757168143 626758643 /nfs/dbraw/zinc/75/86/43/626758643.db2.gz WOORLXYLMVIANT-UHFFFAOYSA-N 1 1 292.379 3.158 20 5 CGBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761511742 627047271 /nfs/dbraw/zinc/04/72/71/627047271.db2.gz OWNKKSAVVOMNAR-UWVGGRQHSA-N 1 1 268.744 3.479 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000764485777 627209246 /nfs/dbraw/zinc/20/92/46/627209246.db2.gz ODDSTHBKOZCGAU-NSHDSACASA-N 1 1 280.755 3.480 20 5 CGBDMO CO[C@@]1(C)CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000791559748 629288311 /nfs/dbraw/zinc/28/83/11/629288311.db2.gz ZOKBWMIAXHUVFK-AWEZNQCLSA-N 1 1 298.770 3.249 20 5 CGBDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000791559748 629288315 /nfs/dbraw/zinc/28/83/15/629288315.db2.gz ZOKBWMIAXHUVFK-AWEZNQCLSA-N 1 1 298.770 3.249 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC2(CCCC2)C1 ZINC000797519337 629956805 /nfs/dbraw/zinc/95/68/05/629956805.db2.gz ICXOAZHIFNPRFT-UHFFFAOYSA-N 1 1 290.363 3.370 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CCO3)CC2)cc1Cl ZINC000800538527 630291978 /nfs/dbraw/zinc/29/19/78/630291978.db2.gz RQMXAZGSSGOKSE-UHFFFAOYSA-N 1 1 296.754 3.003 20 5 CGBDMO CC(C)C(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000808711349 630668934 /nfs/dbraw/zinc/66/89/34/630668934.db2.gz CTKOMDMXZXARDF-UHFFFAOYSA-N 1 1 292.379 3.420 20 5 CGBDMO CCCC[C@@H](C)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000810125023 630840414 /nfs/dbraw/zinc/84/04/14/630840414.db2.gz MLHUOUJJTCQBKN-IUODEOHRSA-N 1 1 280.368 3.139 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C)[C@H]1C ZINC000816646219 632030971 /nfs/dbraw/zinc/03/09/71/632030971.db2.gz AEEICMSNFGJFFA-HGIZFUKPSA-N 1 1 260.337 3.338 20 5 CGBDMO CC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000122989996 633538477 /nfs/dbraw/zinc/53/84/77/633538477.db2.gz YTFQWJOTJIZZHX-UHFFFAOYSA-N 1 1 299.168 3.342 20 5 CGBDMO C[C@@H]1CCC(C)(C)[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000832566114 634074473 /nfs/dbraw/zinc/07/44/73/634074473.db2.gz ZMTALRZBBQZZMI-SNVBAGLBSA-N 1 1 266.316 3.497 20 5 CGBDMO Cc1c(C[NH2+]Cc2cc(C(C)C)no2)cccc1[N+](=O)[O-] ZINC000873049802 634237091 /nfs/dbraw/zinc/23/70/91/634237091.db2.gz FDRLBISNGYIMQP-UHFFFAOYSA-N 1 1 289.335 3.304 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ncccc1F ZINC000873095099 634245307 /nfs/dbraw/zinc/24/53/07/634245307.db2.gz DLYHFCZTTXPNTR-UHFFFAOYSA-N 1 1 289.310 3.036 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)Cc1cccn1C ZINC000876759579 634893835 /nfs/dbraw/zinc/89/38/35/634893835.db2.gz NTCOPQDVLHYHGB-UHFFFAOYSA-N 1 1 287.363 3.182 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)Cc1ccccn1 ZINC000877318800 635026022 /nfs/dbraw/zinc/02/60/22/635026022.db2.gz JHCOGUCMGCVOIZ-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)Cc1ccccn1 ZINC000877318800 635026028 /nfs/dbraw/zinc/02/60/28/635026028.db2.gz JHCOGUCMGCVOIZ-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879962179 635890305 /nfs/dbraw/zinc/89/03/05/635890305.db2.gz OASZRTKSADYKIT-OLZOCXBDSA-N 1 1 292.379 3.139 20 5 CGBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000134969659 637058923 /nfs/dbraw/zinc/05/89/23/637058923.db2.gz CHENDRYZGQJKDP-UWVGGRQHSA-N 1 1 268.744 3.479 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000885931168 637317121 /nfs/dbraw/zinc/31/71/21/637317121.db2.gz PLLHHGNVGPVFGZ-GFCCVEGCSA-N 1 1 289.360 3.388 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000885931168 637317123 /nfs/dbraw/zinc/31/71/23/637317123.db2.gz PLLHHGNVGPVFGZ-GFCCVEGCSA-N 1 1 289.360 3.388 20 5 CGBDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000885956320 637330969 /nfs/dbraw/zinc/33/09/69/637330969.db2.gz NDIPHEYIHKWLTL-YPMHNXCESA-N 1 1 263.341 3.000 20 5 CGBDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886016793 637365908 /nfs/dbraw/zinc/36/59/08/637365908.db2.gz LXAYGYGKXSASQK-JSGCOSHPSA-N 1 1 277.368 3.390 20 5 CGBDMO CCC1CCC([N@@H+](C)Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886030431 637373263 /nfs/dbraw/zinc/37/32/63/637373263.db2.gz KLAQXGFAQGNYOH-UHFFFAOYSA-N 1 1 277.368 3.390 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000886288744 637485654 /nfs/dbraw/zinc/48/56/54/637485654.db2.gz GRZRAURZGMYKLK-UHFFFAOYSA-N 1 1 295.342 3.111 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000886288744 637485658 /nfs/dbraw/zinc/48/56/58/637485658.db2.gz GRZRAURZGMYKLK-UHFFFAOYSA-N 1 1 295.342 3.111 20 5 CGBDMO CCCCC(N)=[NH+]OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853657368 637883590 /nfs/dbraw/zinc/88/35/90/637883590.db2.gz AOIKCFHAJKGVEQ-UHFFFAOYSA-N 1 1 287.266 3.062 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(F)(C3CC3)CC2)cs1 ZINC000932630815 639369897 /nfs/dbraw/zinc/36/98/97/639369897.db2.gz VXDGLHUINDCMRZ-UHFFFAOYSA-N 1 1 284.356 3.370 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCSC[C@H]1C1CC1 ZINC000933919121 639507724 /nfs/dbraw/zinc/50/77/24/639507724.db2.gz YUHSDOYZKILXBU-HNNXBMFYSA-N 1 1 292.404 3.312 20 5 CGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)nc1 ZINC000195222136 640572373 /nfs/dbraw/zinc/57/23/73/640572373.db2.gz UVZXLPABQYQHJN-UHFFFAOYSA-N 1 1 291.738 3.275 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)nc1 ZINC000195222136 640572381 /nfs/dbraw/zinc/57/23/81/640572381.db2.gz UVZXLPABQYQHJN-UHFFFAOYSA-N 1 1 291.738 3.275 20 5 CGBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774745 640802902 /nfs/dbraw/zinc/80/29/02/640802902.db2.gz JPUOODSPAPTRSP-WDEREUQCSA-N 1 1 266.316 3.354 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001160223546 806238042 /nfs/dbraw/zinc/23/80/42/806238042.db2.gz JYUAWWZHQSBNMN-UHFFFAOYSA-N 1 1 272.239 3.354 20 5 CGBDMO CCC[N@@H+](CC)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550702 806447556 /nfs/dbraw/zinc/44/75/56/806447556.db2.gz PEBWOVWJMLWDSM-GFCCVEGCSA-N 1 1 250.342 3.258 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CCc1cccnc1 ZINC001254557761 806450094 /nfs/dbraw/zinc/45/00/94/806450094.db2.gz AFYZQTLDMFWBQJ-AWEZNQCLSA-N 1 1 299.374 3.095 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCCCC1(F)F)C2 ZINC001254579063 806455421 /nfs/dbraw/zinc/45/54/21/806455421.db2.gz PIPHVPCOTMXCBF-JSGCOSHPSA-N 1 1 296.317 3.230 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCCC1(F)F)C2 ZINC001254579068 806456149 /nfs/dbraw/zinc/45/61/49/806456149.db2.gz PIPHVPCOTMXCBF-TZMCWYRMSA-N 1 1 296.317 3.230 20 5 CGBDMO C[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H](C)C1 ZINC001254603020 806459770 /nfs/dbraw/zinc/45/97/70/806459770.db2.gz KLQDNMARJDQJTQ-HSMVNMDESA-N 1 1 274.364 3.182 20 5 CGBDMO CO[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000687218915 799737385 /nfs/dbraw/zinc/73/73/85/799737385.db2.gz HEQSPXASHHGTRC-CMPLNLGQSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000687218915 799737390 /nfs/dbraw/zinc/73/73/90/799737390.db2.gz HEQSPXASHHGTRC-CMPLNLGQSA-N 1 1 298.770 3.248 20 5 CGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccns1 ZINC000715974782 800157185 /nfs/dbraw/zinc/15/71/85/800157185.db2.gz FGRDYVMCJMYLPI-QMMMGPOBSA-N 1 1 281.312 3.041 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001119375989 802656176 /nfs/dbraw/zinc/65/61/76/802656176.db2.gz VSXJFMIYEBHROY-OLZOCXBDSA-N 1 1 275.352 3.002 20 5 CGBDMO COc1ccc(Nc2cccc3[nH+]cn(C)c32)c([N+](=O)[O-])c1 ZINC001248483407 804938284 /nfs/dbraw/zinc/93/82/84/804938284.db2.gz SKDURHALGJVTIZ-UHFFFAOYSA-N 1 1 298.302 3.234 20 5 CGBDMO CCC[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169030093 807555917 /nfs/dbraw/zinc/55/59/17/807555917.db2.gz WCMAZWKAMHPZOW-BFHYXJOUSA-N 1 1 254.374 3.086 20 5 CGBDMO CC[N@@H+](Cc1cccc(F)c1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040203 807557270 /nfs/dbraw/zinc/55/72/70/807557270.db2.gz YSCSFNLCYFGYDG-DZGCQCFKSA-N 1 1 280.343 3.093 20 5 CGBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1C ZINC001169285468 807623954 /nfs/dbraw/zinc/62/39/54/807623954.db2.gz WIUVABYCHIBBIH-JSGCOSHPSA-N 1 1 294.399 3.000 20 5 CGBDMO COc1ccc(C[C@@H](C)[N@H+]2CCCC23CC3)c([N+](=O)[O-])c1 ZINC001170329782 807826153 /nfs/dbraw/zinc/82/61/53/807826153.db2.gz ULRDJZBZEVTIKP-GFCCVEGCSA-N 1 1 290.363 3.163 20 5 CGBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170329404 807826523 /nfs/dbraw/zinc/82/65/23/807826523.db2.gz QDKVEXZUDOSMSC-RYUDHWBXSA-N 1 1 278.352 3.019 20 5 CGBDMO C[N@@H+](CC1CC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909644 808475836 /nfs/dbraw/zinc/47/58/36/808475836.db2.gz UMYDYFFSZVPMES-OAHLLOKOSA-N 1 1 274.364 3.184 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCCC13CC3)CC2 ZINC001172907529 808476389 /nfs/dbraw/zinc/47/63/89/808476389.db2.gz GWYPANYWLOBHBP-HNNXBMFYSA-N 1 1 286.375 3.471 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CCCC1 ZINC001173226379 808541206 /nfs/dbraw/zinc/54/12/06/808541206.db2.gz JGGNXXIUTGDOKF-GFCCVEGCSA-N 1 1 262.353 3.400 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC1CCC1 ZINC001173227039 808541490 /nfs/dbraw/zinc/54/14/90/808541490.db2.gz MJSHDMOJGCYTPZ-GFCCVEGCSA-N 1 1 262.353 3.258 20 5 CGBDMO Cc1cc2c(cn1)C[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173232729 808542647 /nfs/dbraw/zinc/54/26/47/808542647.db2.gz HIHTUZDPHIWMSM-ZDUSSCGKSA-N 1 1 297.358 3.245 20 5 CGBDMO Cc1cc2c(cn1)C[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173232729 808542652 /nfs/dbraw/zinc/54/26/52/808542652.db2.gz HIHTUZDPHIWMSM-ZDUSSCGKSA-N 1 1 297.358 3.245 20 5 CGBDMO CCC[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001176777285 809761003 /nfs/dbraw/zinc/76/10/03/809761003.db2.gz JHPCFBZELAIHMK-CQSZACIVSA-N 1 1 262.353 3.402 20 5 CGBDMO Cc1cc(C)[nH+]c(Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC001211187981 814843137 /nfs/dbraw/zinc/84/31/37/814843137.db2.gz CKXAEILNRPMDKI-UHFFFAOYSA-N 1 1 261.256 3.489 20 5 CGBDMO Cc1cccc2[nH+]cc(Nc3cc(F)cc([N+](=O)[O-])c3)n21 ZINC001216481825 815836983 /nfs/dbraw/zinc/83/69/83/815836983.db2.gz FOVBGTLAXFJAQA-UHFFFAOYSA-N 1 1 286.266 3.434 20 5 CGBDMO C[NH+]1CC(Oc2cccc3ccc4cccnc4c32)C1 ZINC001227763909 817716005 /nfs/dbraw/zinc/71/60/05/817716005.db2.gz IIIXSDNSLWEQFL-UHFFFAOYSA-N 1 1 264.328 3.081 20 5 CGBDMO C[N@H+]1CCC[C@@H](Oc2cccc3nc4ccccc4nc32)C1 ZINC001228522904 817927837 /nfs/dbraw/zinc/92/78/37/817927837.db2.gz QPJOOTIOLJDENS-CYBMUJFWSA-N 1 1 293.370 3.256 20 5 CGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC001228757586 818000360 /nfs/dbraw/zinc/00/03/60/818000360.db2.gz VRUMCVIPYFJPTI-IAZYJMLFSA-N 1 1 296.754 3.252 20 5 CGBDMO Cc1cc(OC2C[NH+](C(C)(C)C)C2)c(C)c(C)c1[N+](=O)[O-] ZINC001234872083 818941596 /nfs/dbraw/zinc/94/15/96/818941596.db2.gz RHILADPWVWXBMN-UHFFFAOYSA-N 1 1 292.379 3.382 20 5 CGBDMO CC[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1C ZINC001307703303 927955430 /nfs/dbraw/zinc/95/54/30/927955430.db2.gz RCMHKNGYGVQTJU-ZJUUUORDSA-N 1 1 284.306 3.493 20 5 CGBDMO CC[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1C ZINC001307703303 927955435 /nfs/dbraw/zinc/95/54/35/927955435.db2.gz RCMHKNGYGVQTJU-ZJUUUORDSA-N 1 1 284.306 3.493 20 5 CGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC001458408437 937461679 /nfs/dbraw/zinc/46/16/79/937461679.db2.gz ZEHYCUPDNOLGEC-LLVKDONJSA-N 1 1 283.347 3.266 20 5 CGBDMO C[C@H]1CCCC[C@H]1[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001459950418 937508034 /nfs/dbraw/zinc/50/80/34/937508034.db2.gz OGWTXXKVPALVBC-XJKSGUPXSA-N 1 1 292.379 3.484 20 5 CGBDMO Cc1cc(OC2C[NH+](C(C)(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC001229466367 932156310 /nfs/dbraw/zinc/15/63/10/932156310.db2.gz MSTHLJRGFWYTIA-UHFFFAOYSA-N 1 1 278.352 3.073 20 5 CGBDMO C[C@@H](CNc1c(F)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC001306932372 932896861 /nfs/dbraw/zinc/89/68/61/932896861.db2.gz UHQRFTRVXJECJM-RYUDHWBXSA-N 1 1 295.358 3.409 20 5 CGBDMO CC[C@@H](C)C[N@@H+](CC)CCOc1ccc([N+](=O)[O-])cc1 ZINC001307510513 932963285 /nfs/dbraw/zinc/96/32/85/932963285.db2.gz GSMDFIMWFULPFJ-CYBMUJFWSA-N 1 1 280.368 3.342 20 5 CGBDMO C[C@@H]([NH2+]C/C=C/C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC001332276885 935456167 /nfs/dbraw/zinc/45/61/67/935456167.db2.gz IQZFTQQFQZZSKG-HMDXOVGESA-N 1 1 264.300 3.351 20 5 CGBDMO COc1ccc(C)[nH+]c1NCc1cccc([N+](=O)[O-])c1C ZINC001474058088 937837838 /nfs/dbraw/zinc/83/78/38/937837838.db2.gz HAIBBIAXDGPZAL-UHFFFAOYSA-N 1 1 287.319 3.227 20 5 CGBDMO Cc1c(C[N@H+]2C[C@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC001559970833 938240279 /nfs/dbraw/zinc/24/02/79/938240279.db2.gz LVZWYFYPIHASRI-UKRRQHHQSA-N 1 1 260.337 3.278 20 5 CGBDMO CC[C@@H](C)[C@@H](C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)OC ZINC001560696874 938270844 /nfs/dbraw/zinc/27/08/44/938270844.db2.gz GAGXZIOVBSSWJL-MLGOLLRUSA-N 1 1 292.379 3.014 20 5 CGBDMO Cc1cc(NC[C@@H]2CCCC[N@H+]2C2CC2)c([N+](=O)[O-])s1 ZINC001559184436 960605038 /nfs/dbraw/zinc/60/50/38/960605038.db2.gz IBIFNPPPXRIZBV-LBPRGKRZSA-N 1 1 295.408 3.394 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC(CC(F)(F)F)C1 ZINC000590968758 346891488 /nfs/dbraw/zinc/89/14/88/346891488.db2.gz IBEFVVPCSUVDEO-UHFFFAOYSA-N 1 1 288.269 3.287 20 5 CGBDMO CC[C@H](NC[C@@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423250764 529611699 /nfs/dbraw/zinc/61/16/99/529611699.db2.gz VGLBWFUONNNFSY-SJORKVTESA-N 1 1 299.374 3.336 20 5 CGBDMO CCc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000411448821 529655169 /nfs/dbraw/zinc/65/51/69/529655169.db2.gz FONLXEVZBBFTFX-LBPRGKRZSA-N 1 1 285.347 3.403 20 5 CGBDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000126430110 187239590 /nfs/dbraw/zinc/23/95/90/187239590.db2.gz WIDARTDARLMFGC-LLVKDONJSA-N 1 1 268.382 3.168 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC12CCCC2 ZINC000593039480 347030966 /nfs/dbraw/zinc/03/09/66/347030966.db2.gz QIPXHGABJJJWLE-UHFFFAOYSA-N 1 1 264.300 3.252 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC12CCCC2 ZINC000593039480 347030968 /nfs/dbraw/zinc/03/09/68/347030968.db2.gz QIPXHGABJJJWLE-UHFFFAOYSA-N 1 1 264.300 3.252 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000042977253 344991740 /nfs/dbraw/zinc/99/17/40/344991740.db2.gz KPVJDODLHUQANR-UHFFFAOYSA-N 1 1 274.295 3.366 20 5 CGBDMO Cc1c(C[N@H+](C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000047934491 345057320 /nfs/dbraw/zinc/05/73/20/345057320.db2.gz WYSVEJTXXRKURC-UHFFFAOYSA-N 1 1 260.293 3.128 20 5 CGBDMO Cc1c(C[N@@H+](C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000047934491 345057322 /nfs/dbraw/zinc/05/73/22/345057322.db2.gz WYSVEJTXXRKURC-UHFFFAOYSA-N 1 1 260.293 3.128 20 5 CGBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000052689895 345106777 /nfs/dbraw/zinc/10/67/77/345106777.db2.gz HTDWKRHLHZPVNR-UHFFFAOYSA-N 1 1 296.330 3.103 20 5 CGBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000052689895 345106778 /nfs/dbraw/zinc/10/67/78/345106778.db2.gz HTDWKRHLHZPVNR-UHFFFAOYSA-N 1 1 296.330 3.103 20 5 CGBDMO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000073006797 345425637 /nfs/dbraw/zinc/42/56/37/345425637.db2.gz CQLWNUDEIVWMKJ-SNVBAGLBSA-N 1 1 289.335 3.359 20 5 CGBDMO CC[C@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCS1 ZINC000076073460 345532393 /nfs/dbraw/zinc/53/23/93/345532393.db2.gz PNLKKLVQLZINTM-RYUDHWBXSA-N 1 1 280.393 3.483 20 5 CGBDMO Cc1[nH+]ccn1CCCCNc1ccc([N+](=O)[O-])cc1C ZINC000080648872 345681318 /nfs/dbraw/zinc/68/13/18/345681318.db2.gz MVPXFHHBUPSEOY-UHFFFAOYSA-N 1 1 288.351 3.300 20 5 CGBDMO CC(C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000083133995 345724391 /nfs/dbraw/zinc/72/43/91/345724391.db2.gz VPQJCENOFSANKL-UHFFFAOYSA-N 1 1 275.308 3.109 20 5 CGBDMO COc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1F ZINC000165807494 346185506 /nfs/dbraw/zinc/18/55/06/346185506.db2.gz AETQORSTDSTVTD-UHFFFAOYSA-N 1 1 290.294 3.032 20 5 CGBDMO C[C@@H](c1ccncc1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000127612919 187320604 /nfs/dbraw/zinc/32/06/04/187320604.db2.gz SRLRAYPHDHFMGK-ZDUSSCGKSA-N 1 1 285.347 3.225 20 5 CGBDMO Cc1ccc(C[N@H+]2CCC23CCCC3)cc1[N+](=O)[O-] ZINC000593646042 347098491 /nfs/dbraw/zinc/09/84/91/347098491.db2.gz REIFXXKGTSXVQL-UHFFFAOYSA-N 1 1 260.337 3.422 20 5 CGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])s1 ZINC000589608923 346802527 /nfs/dbraw/zinc/80/25/27/346802527.db2.gz PAEYXQCXTDXPAQ-JTQLQIEISA-N 1 1 271.386 3.189 20 5 CGBDMO O=[N+]([O-])c1sccc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594601942 347200089 /nfs/dbraw/zinc/20/00/89/347200089.db2.gz PWXOVTMPYACNHR-CMPLNLGQSA-N 1 1 281.381 3.085 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1nccn1C ZINC000595108442 347285120 /nfs/dbraw/zinc/28/51/20/347285120.db2.gz PWVFBRWRPURJEH-NWDGAFQWSA-N 1 1 288.351 3.049 20 5 CGBDMO CC[C@@H](C)[C@@H](C)[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595302045 347289470 /nfs/dbraw/zinc/28/94/70/347289470.db2.gz IQEFJHKGCHIIRN-MWLCHTKSSA-N 1 1 281.356 3.290 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000595327977 347292440 /nfs/dbraw/zinc/29/24/40/347292440.db2.gz SWATYHCNEJFCJZ-BXUZGUMPSA-N 1 1 278.327 3.498 20 5 CGBDMO C[C@H]([N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-])C1(C)CC1 ZINC000595337897 347294005 /nfs/dbraw/zinc/29/40/05/347294005.db2.gz CVOQPXSZMZZUNW-JTQLQIEISA-N 1 1 266.316 3.354 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1occc1C ZINC000595037517 347265598 /nfs/dbraw/zinc/26/55/98/347265598.db2.gz GWMDFISJTYHTAY-LLVKDONJSA-N 1 1 290.319 3.356 20 5 CGBDMO CC[C@H](C)[N@@H+](CC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595598867 347323543 /nfs/dbraw/zinc/32/35/43/347323543.db2.gz IJNPUHAODDQCBT-JTQLQIEISA-N 1 1 254.305 3.354 20 5 CGBDMO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000595814474 347358440 /nfs/dbraw/zinc/35/84/40/347358440.db2.gz HFBSDBMZUUMHHM-ZDUSSCGKSA-N 1 1 290.363 3.128 20 5 CGBDMO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000595814474 347358443 /nfs/dbraw/zinc/35/84/43/347358443.db2.gz HFBSDBMZUUMHHM-ZDUSSCGKSA-N 1 1 290.363 3.128 20 5 CGBDMO CCC[C@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595433798 347303256 /nfs/dbraw/zinc/30/32/56/347303256.db2.gz UFPDJLQBMMEGAZ-NSHDSACASA-N 1 1 267.329 3.046 20 5 CGBDMO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H]1CCCC[C@H]1C ZINC000595453597 347305703 /nfs/dbraw/zinc/30/57/03/347305703.db2.gz QGMINPRBUIPNDT-PWSUYJOCSA-N 1 1 281.356 3.292 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595484752 347310402 /nfs/dbraw/zinc/31/04/02/347310402.db2.gz NINPHRGHTKOOGF-YOWGUQMCSA-N 1 1 274.364 3.115 20 5 CGBDMO Cc1cc(NC[C@@H]2CC[N@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596305915 347413905 /nfs/dbraw/zinc/41/39/05/347413905.db2.gz CWXQVQGXTUQPKS-ZDUSSCGKSA-N 1 1 277.368 3.188 20 5 CGBDMO Cc1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])s1 ZINC000596108895 347384031 /nfs/dbraw/zinc/38/40/31/347384031.db2.gz SCLRUTXIPSKLQY-SNVBAGLBSA-N 1 1 292.364 3.072 20 5 CGBDMO Cc1cc(NCCCCn2cc[nH+]c2C)c([N+](=O)[O-])s1 ZINC000596147383 347389535 /nfs/dbraw/zinc/38/95/35/347389535.db2.gz VXOVDFFPDQESIX-UHFFFAOYSA-N 1 1 294.380 3.362 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC(F)(F)CC1 ZINC000599551250 347753320 /nfs/dbraw/zinc/75/33/20/347753320.db2.gz JOQLWWODRQHPFT-UHFFFAOYSA-N 1 1 270.279 3.216 20 5 CGBDMO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000599624841 347758693 /nfs/dbraw/zinc/75/86/93/347758693.db2.gz ZVQQXEXCGJKYIV-JTQLQIEISA-N 1 1 270.279 3.214 20 5 CGBDMO C[C@H]1CC(F)(F)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000599624841 347758695 /nfs/dbraw/zinc/75/86/95/347758695.db2.gz ZVQQXEXCGJKYIV-JTQLQIEISA-N 1 1 270.279 3.214 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2c(O)cccc2C1 ZINC000599646380 347761315 /nfs/dbraw/zinc/76/13/15/347761315.db2.gz JEANTRHZYQIVJE-GFCCVEGCSA-N 1 1 298.342 3.420 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(O)cccc2C1 ZINC000599646380 347761318 /nfs/dbraw/zinc/76/13/18/347761318.db2.gz JEANTRHZYQIVJE-GFCCVEGCSA-N 1 1 298.342 3.420 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)c1 ZINC000600214174 347794988 /nfs/dbraw/zinc/79/49/88/347794988.db2.gz MMORSLJNGRZPAR-OAHLLOKOSA-N 1 1 298.342 3.290 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\Cn1c[nH+]c2c1CCCC2 ZINC000600179623 347789688 /nfs/dbraw/zinc/78/96/88/347789688.db2.gz RLMRFRLGILTDJH-ALCCZGGFSA-N 1 1 283.331 3.384 20 5 CGBDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC1CC1 ZINC000602451245 347960279 /nfs/dbraw/zinc/96/02/79/347960279.db2.gz FDHINUYUOKWZSG-UHFFFAOYSA-N 1 1 288.269 3.455 20 5 CGBDMO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000609144042 348337520 /nfs/dbraw/zinc/33/75/20/348337520.db2.gz GXZKDNGJRJQXIS-UHFFFAOYSA-N 1 1 266.316 3.498 20 5 CGBDMO C[C@H]1CCC[C@H](C)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000610215440 348367487 /nfs/dbraw/zinc/36/74/87/348367487.db2.gz SLACGJQKOSOMAA-KBPBESRZSA-N 1 1 292.379 3.484 20 5 CGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000610476285 348383920 /nfs/dbraw/zinc/38/39/20/348383920.db2.gz TWHDKEJSHYYNES-UHFFFAOYSA-N 1 1 296.342 3.125 20 5 CGBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCC1CC1 ZINC000610995213 348417119 /nfs/dbraw/zinc/41/71/19/348417119.db2.gz HELIAKDPXJXMLL-UHFFFAOYSA-N 1 1 278.352 3.096 20 5 CGBDMO CC(C)C[N@H+]1CC[C@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000610687112 348396902 /nfs/dbraw/zinc/39/69/02/348396902.db2.gz XAIFYLLFARUOGQ-LLVKDONJSA-N 1 1 283.397 3.046 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611319655 348438236 /nfs/dbraw/zinc/43/82/36/348438236.db2.gz KBZDSEBTFDEKQU-WDEREUQCSA-N 1 1 289.335 3.499 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H]2F)c(Cl)c1 ZINC000339583914 215258353 /nfs/dbraw/zinc/25/83/53/215258353.db2.gz KNXVXJFWAPYRNS-RYUDHWBXSA-N 1 1 272.707 3.228 20 5 CGBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000124282370 187129854 /nfs/dbraw/zinc/12/98/54/187129854.db2.gz MTNPHAMJNONDKC-ZFWWWQNUSA-N 1 1 292.379 3.110 20 5 CGBDMO CC[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000133263080 187674271 /nfs/dbraw/zinc/67/42/71/187674271.db2.gz KRWIBNBKESZBGX-ZDUSSCGKSA-N 1 1 277.368 3.047 20 5 CGBDMO Cc1ccoc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271604894 191237726 /nfs/dbraw/zinc/23/77/26/191237726.db2.gz ALYPGCPXKSCFCV-NSHDSACASA-N 1 1 260.293 3.347 20 5 CGBDMO CCOC[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000154133198 188125019 /nfs/dbraw/zinc/12/50/19/188125019.db2.gz LCGGCUONOAPKRG-LBPRGKRZSA-N 1 1 298.770 3.107 20 5 CGBDMO Cc1cnc(CC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)s1 ZINC000157409481 188315567 /nfs/dbraw/zinc/31/55/67/188315567.db2.gz HIKGLXHIHSJFEY-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO Cc1ccc(NCCCC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000413350850 235271701 /nfs/dbraw/zinc/27/17/01/235271701.db2.gz YGBCLPSAEVZQSM-UHFFFAOYSA-N 1 1 277.368 3.190 20 5 CGBDMO C[C@]12CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@H]1C2(F)F ZINC000298207955 200360244 /nfs/dbraw/zinc/36/02/44/200360244.db2.gz DEFASUHBWXUTOV-KGLIPLIRSA-N 1 1 296.317 3.114 20 5 CGBDMO Cc1ccc([C@@H](C)NCC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000181844357 189308349 /nfs/dbraw/zinc/30/83/49/189308349.db2.gz PAWVDTJPXDPUGX-UKRRQHHQSA-N 1 1 291.395 3.038 20 5 CGBDMO CC(C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000119779299 370709145 /nfs/dbraw/zinc/70/91/45/370709145.db2.gz OHOFPLXVFGFUMP-UHFFFAOYSA-N 1 1 278.352 3.237 20 5 CGBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000479563323 243112237 /nfs/dbraw/zinc/11/22/37/243112237.db2.gz ACJUGIFQEMXKHQ-UHFFFAOYSA-N 1 1 250.342 3.463 20 5 CGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000483093785 243260214 /nfs/dbraw/zinc/26/02/14/243260214.db2.gz BXPBSENKEADHJJ-CYBMUJFWSA-N 1 1 292.379 3.484 20 5 CGBDMO CCOc1cc(C[N@H+]2CCC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000492695459 244008418 /nfs/dbraw/zinc/00/84/18/244008418.db2.gz JGXKCPOUTIROMI-UHFFFAOYSA-N 1 1 290.363 3.370 20 5 CGBDMO Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000037775534 369108886 /nfs/dbraw/zinc/10/88/86/369108886.db2.gz KFPUCQNRBISTLV-LLVKDONJSA-N 1 1 260.293 3.347 20 5 CGBDMO CC[C@H]([NH2+]Cc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000041012444 369169531 /nfs/dbraw/zinc/16/95/31/369169531.db2.gz OFSMBVLTCPPXMC-LBPRGKRZSA-N 1 1 277.349 3.292 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccnc1 ZINC000049963371 369425105 /nfs/dbraw/zinc/42/51/05/369425105.db2.gz UYACBRYTRKGXEX-SNVBAGLBSA-N 1 1 291.738 3.494 20 5 CGBDMO Cc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000053035644 369476477 /nfs/dbraw/zinc/47/64/77/369476477.db2.gz HRRXMCQDXGQNAE-LLVKDONJSA-N 1 1 260.293 3.347 20 5 CGBDMO CC[C@H]1CCC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000330910007 203380747 /nfs/dbraw/zinc/38/07/47/203380747.db2.gz FKIHKDFSYWDKED-NSHDSACASA-N 1 1 282.315 3.117 20 5 CGBDMO Cc1c(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000118417601 370614774 /nfs/dbraw/zinc/61/47/74/370614774.db2.gz NGYMPTFGGIGQHA-RYUDHWBXSA-N 1 1 280.393 3.229 20 5 CGBDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000134609133 371352857 /nfs/dbraw/zinc/35/28/57/371352857.db2.gz XIDZYAIRGVHBHF-CYBMUJFWSA-N 1 1 298.383 3.451 20 5 CGBDMO CS[C@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000134609156 371353552 /nfs/dbraw/zinc/35/35/52/371353552.db2.gz XIDZYAIRGVHBHF-ZDUSSCGKSA-N 1 1 298.383 3.451 20 5 CGBDMO CCc1nc(N[C@H](C)c2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000286680165 371538829 /nfs/dbraw/zinc/53/88/29/371538829.db2.gz ZJNFMDFOSWOFFR-LLVKDONJSA-N 1 1 286.335 3.429 20 5 CGBDMO Cc1[nH+]ccn1CCCCSc1ccc([N+](=O)[O-])cn1 ZINC000158806831 372085497 /nfs/dbraw/zinc/08/54/97/372085497.db2.gz FATBPVCTYKMWCK-UHFFFAOYSA-N 1 1 292.364 3.067 20 5 CGBDMO CSC[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000429282597 372338877 /nfs/dbraw/zinc/33/88/77/372338877.db2.gz FSZKSNCKFWSXTK-ZDUSSCGKSA-N 1 1 280.393 3.170 20 5 CGBDMO C[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000293478980 372391886 /nfs/dbraw/zinc/39/18/86/372391886.db2.gz RRHRYGJWMFDKGC-QWRGUYRKSA-N 1 1 287.319 3.090 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000293478980 372391891 /nfs/dbraw/zinc/39/18/91/372391891.db2.gz RRHRYGJWMFDKGC-QWRGUYRKSA-N 1 1 287.319 3.090 20 5 CGBDMO CCCC[N@@H+](C)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163504181 372475889 /nfs/dbraw/zinc/47/58/89/372475889.db2.gz DIJXVHXSFDNEFC-CQSZACIVSA-N 1 1 293.411 3.286 20 5 CGBDMO CCCCN(C)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163504181 372475896 /nfs/dbraw/zinc/47/58/96/372475896.db2.gz DIJXVHXSFDNEFC-CQSZACIVSA-N 1 1 293.411 3.286 20 5 CGBDMO COC[C@]1(C)CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000294189494 372607807 /nfs/dbraw/zinc/60/78/07/372607807.db2.gz KWUNSHCZURSPSG-CQSZACIVSA-N 1 1 298.770 3.107 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433812160 372635794 /nfs/dbraw/zinc/63/57/94/372635794.db2.gz MZTVDESYNZSIFB-CYBMUJFWSA-N 1 1 293.342 3.163 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295623389 372853031 /nfs/dbraw/zinc/85/30/31/372853031.db2.gz ZKCDLTBLEVMZRY-DOMZBBRYSA-N 1 1 292.379 3.139 20 5 CGBDMO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296224254 373057480 /nfs/dbraw/zinc/05/74/80/373057480.db2.gz ZXCIZAZXUGRERD-VXGBXAGGSA-N 1 1 288.351 3.223 20 5 CGBDMO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)C ZINC000444628024 373214687 /nfs/dbraw/zinc/21/46/87/373214687.db2.gz SAEQWMSRVBDSNM-UHFFFAOYSA-N 1 1 290.367 3.339 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC23CCC3)c(F)c1 ZINC000444787469 373275097 /nfs/dbraw/zinc/27/50/97/373275097.db2.gz RJLMAIUBHJOWRU-UHFFFAOYSA-N 1 1 264.300 3.252 20 5 CGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccccc1[N+](=O)[O-] ZINC000301069966 373648956 /nfs/dbraw/zinc/64/89/56/373648956.db2.gz FLCNWHLIDGERPD-STQMWFEESA-N 1 1 277.368 3.127 20 5 CGBDMO C[C@H]1CCCC[N@H+]1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000301104176 373661183 /nfs/dbraw/zinc/66/11/83/373661183.db2.gz POQXTBRRRTWIIE-NSHDSACASA-N 1 1 281.331 3.020 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC[N@H+](C)C(C)C ZINC000302803194 373969379 /nfs/dbraw/zinc/96/93/79/373969379.db2.gz DJBJWTUPGQWASZ-UHFFFAOYSA-N 1 1 285.775 3.309 20 5 CGBDMO C[N@H+](CCC(=O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000181958001 374196154 /nfs/dbraw/zinc/19/61/54/374196154.db2.gz LTJPNTLQLXXTLS-UHFFFAOYSA-N 1 1 298.342 3.300 20 5 CGBDMO C[N@@H+](CCC(=O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000181958001 374196156 /nfs/dbraw/zinc/19/61/56/374196156.db2.gz LTJPNTLQLXXTLS-UHFFFAOYSA-N 1 1 298.342 3.300 20 5 CGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC1CCC1 ZINC000182164780 374227238 /nfs/dbraw/zinc/22/72/38/374227238.db2.gz RHUQZYRFOBIZRB-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccncc1 ZINC000183747767 374452107 /nfs/dbraw/zinc/45/21/07/374452107.db2.gz SAIBLPNNTYFYCT-GQCTYLIASA-N 1 1 283.331 3.135 20 5 CGBDMO COc1cc(C[N@@H+]2CCCC3(CC3)C2)c([N+](=O)[O-])cc1F ZINC000187005403 374954961 /nfs/dbraw/zinc/95/49/61/374954961.db2.gz BBUAYNDTXFERTC-UHFFFAOYSA-N 1 1 294.326 3.119 20 5 CGBDMO COc1cc(C[N@H+]2CCCC3(CC3)C2)c([N+](=O)[O-])cc1F ZINC000187005403 374954970 /nfs/dbraw/zinc/95/49/70/374954970.db2.gz BBUAYNDTXFERTC-UHFFFAOYSA-N 1 1 294.326 3.119 20 5 CGBDMO CO[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C ZINC000189265739 375351782 /nfs/dbraw/zinc/35/17/82/375351782.db2.gz IHBYLZABFSPKMC-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C ZINC000189265739 375351785 /nfs/dbraw/zinc/35/17/85/375351785.db2.gz IHBYLZABFSPKMC-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336811965 375964667 /nfs/dbraw/zinc/96/46/67/375964667.db2.gz PLVYNKAYBMKUMN-PHIMTYICSA-N 1 1 266.316 3.497 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H]1CC=CCC1)C2 ZINC000537625719 376184962 /nfs/dbraw/zinc/18/49/62/376184962.db2.gz RYZNGMWKYNGFNL-CYBMUJFWSA-N 1 1 272.348 3.309 20 5 CGBDMO Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000538725955 376260736 /nfs/dbraw/zinc/26/07/36/376260736.db2.gz IWTIYAPSSGXFJM-YPMHNXCESA-N 1 1 262.353 3.381 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000541771025 376480295 /nfs/dbraw/zinc/48/02/95/376480295.db2.gz LBUYFUDIPQMSHN-WCQYABFASA-N 1 1 262.353 3.381 20 5 CGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC1CC1 ZINC000338930745 376579780 /nfs/dbraw/zinc/57/97/80/376579780.db2.gz XEYDJFCPWKUXPV-UHFFFAOYSA-N 1 1 288.269 3.455 20 5 CGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC=CCC1 ZINC000544115817 376703886 /nfs/dbraw/zinc/70/38/86/376703886.db2.gz XEPRAABRAKNKPY-CQSZACIVSA-N 1 1 290.363 3.262 20 5 CGBDMO Cc1c(C[N@@H+]2CCS[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000246382810 377020409 /nfs/dbraw/zinc/02/04/09/377020409.db2.gz NGYMPTFGGIGQHA-VXGBXAGGSA-N 1 1 280.393 3.229 20 5 CGBDMO COC[C@H]1CCCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000342711378 377749191 /nfs/dbraw/zinc/74/91/91/377749191.db2.gz AFQHTXPPEHPSMW-KGLIPLIRSA-N 1 1 292.379 3.404 20 5 CGBDMO COC[C@H]1CCCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000342747083 377771372 /nfs/dbraw/zinc/77/13/72/377771372.db2.gz XLIWFQVFTUOKHN-KGLIPLIRSA-N 1 1 292.379 3.404 20 5 CGBDMO CC[C@H]([NH2+]Cc1ccc(F)cn1)c1cccc([N+](=O)[O-])c1 ZINC000269038388 378178223 /nfs/dbraw/zinc/17/82/23/378178223.db2.gz WAUSFSCEQXEKFJ-HNNXBMFYSA-N 1 1 289.310 3.370 20 5 CGBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccncc1 ZINC000271034768 378434268 /nfs/dbraw/zinc/43/42/68/378434268.db2.gz RHUJPEGKKGHJNM-UHFFFAOYSA-N 1 1 285.347 3.054 20 5 CGBDMO CC[C@@]1(CO)CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000275150412 378945446 /nfs/dbraw/zinc/94/54/46/378945446.db2.gz PIUSKYGPPIMGKL-CZUORRHYSA-N 1 1 292.379 3.140 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccc(O)cc2C1 ZINC000348540464 378981377 /nfs/dbraw/zinc/98/13/77/378981377.db2.gz WJEVWGXRQVMKLO-LBPRGKRZSA-N 1 1 298.342 3.420 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccc(O)cc2C1 ZINC000348540464 378981385 /nfs/dbraw/zinc/98/13/85/378981385.db2.gz WJEVWGXRQVMKLO-LBPRGKRZSA-N 1 1 298.342 3.420 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000277661673 379210326 /nfs/dbraw/zinc/21/03/26/379210326.db2.gz GWRGCBVQWWHKGF-UHFFFAOYSA-N 1 1 297.358 3.158 20 5 CGBDMO CC[C@H]1CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352016578 379751216 /nfs/dbraw/zinc/75/12/16/379751216.db2.gz YHMWZNMIJPUTIJ-VIFPVBQESA-N 1 1 270.279 3.247 20 5 CGBDMO CC[C@H]1CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352016578 379751229 /nfs/dbraw/zinc/75/12/29/379751229.db2.gz YHMWZNMIJPUTIJ-VIFPVBQESA-N 1 1 270.279 3.247 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000378630972 379849825 /nfs/dbraw/zinc/84/98/25/379849825.db2.gz IXKLCKNIHLHYHM-MRXNPFEDSA-N 1 1 297.358 3.054 20 5 CGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+]([C@H]1C=CCCCCC1)CC2 ZINC000407994022 379987428 /nfs/dbraw/zinc/98/74/28/379987428.db2.gz YNQLFKFEQQKWME-AWEZNQCLSA-N 1 1 287.363 3.237 20 5 CGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+]([C@H]1C=CCCCCC1)CC2 ZINC000407994022 379987435 /nfs/dbraw/zinc/98/74/35/379987435.db2.gz YNQLFKFEQQKWME-AWEZNQCLSA-N 1 1 287.363 3.237 20 5 CGBDMO C[C@]1(F)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000355352903 380655982 /nfs/dbraw/zinc/65/59/82/380655982.db2.gz HJJNYIOIQKANOL-YVZNUBBCSA-N 1 1 264.300 3.042 20 5 CGBDMO C[C@]1(F)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000355352903 380655988 /nfs/dbraw/zinc/65/59/88/380655988.db2.gz HJJNYIOIQKANOL-YVZNUBBCSA-N 1 1 264.300 3.042 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000357558008 381209615 /nfs/dbraw/zinc/20/96/15/381209615.db2.gz ZLBLECOKUKCUJW-WDEREUQCSA-N 1 1 266.316 3.497 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@@H](C)CC2)c([N+](=O)[O-])cc1F ZINC000361649679 381858310 /nfs/dbraw/zinc/85/83/10/381858310.db2.gz FZYIAGMCCNZEAM-LLVKDONJSA-N 1 1 296.342 3.365 20 5 CGBDMO C[C@@H]1CC[C@@H](C)[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000362435028 381989898 /nfs/dbraw/zinc/98/98/98/381989898.db2.gz BZIQRFZADBXFPB-CHWSQXEVSA-N 1 1 278.352 3.094 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000342996698 285112698 /nfs/dbraw/zinc/11/26/98/285112698.db2.gz BIMJECAZCAUCQJ-HNNXBMFYSA-N 1 1 260.337 3.359 20 5 CGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CC1CCCCCC1)CC2 ZINC000408222989 285184335 /nfs/dbraw/zinc/18/43/35/285184335.db2.gz HDXZLIKXKXUENK-UHFFFAOYSA-N 1 1 289.379 3.318 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000048336929 391997032 /nfs/dbraw/zinc/99/70/32/391997032.db2.gz CNYJXGKZGJCLMR-QWHCGFSZSA-N 1 1 295.770 3.287 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCSCC1 ZINC000089984326 392228245 /nfs/dbraw/zinc/22/82/45/392228245.db2.gz JMLVVRDXZKFRMA-LLVKDONJSA-N 1 1 266.366 3.095 20 5 CGBDMO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000109781356 392372460 /nfs/dbraw/zinc/37/24/60/392372460.db2.gz DTJUHUFTYTUVQQ-LBPRGKRZSA-N 1 1 286.331 3.493 20 5 CGBDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000109781356 392372463 /nfs/dbraw/zinc/37/24/63/392372463.db2.gz DTJUHUFTYTUVQQ-LBPRGKRZSA-N 1 1 286.331 3.493 20 5 CGBDMO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000109781357 392372768 /nfs/dbraw/zinc/37/27/68/392372768.db2.gz DTJUHUFTYTUVQQ-GFCCVEGCSA-N 1 1 286.331 3.493 20 5 CGBDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000109781357 392372772 /nfs/dbraw/zinc/37/27/72/392372772.db2.gz DTJUHUFTYTUVQQ-GFCCVEGCSA-N 1 1 286.331 3.493 20 5 CGBDMO CO[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000371737009 392551411 /nfs/dbraw/zinc/55/14/11/392551411.db2.gz ZRFUWKSTQQKSOB-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509297136 392743493 /nfs/dbraw/zinc/74/34/93/392743493.db2.gz VNDAGRYDEDUXIX-JTQLQIEISA-N 1 1 284.306 3.495 20 5 CGBDMO CC[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509297136 392743498 /nfs/dbraw/zinc/74/34/98/392743498.db2.gz VNDAGRYDEDUXIX-JTQLQIEISA-N 1 1 284.306 3.495 20 5 CGBDMO CSC1(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCC1 ZINC000519854772 392898680 /nfs/dbraw/zinc/89/86/80/392898680.db2.gz CDQGPGVTVDCJAP-UHFFFAOYSA-N 1 1 292.404 3.239 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000522710877 392932725 /nfs/dbraw/zinc/93/27/25/392932725.db2.gz AHGKVALBXFASHE-CQSZACIVSA-N 1 1 292.379 3.486 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341996161 392996258 /nfs/dbraw/zinc/99/62/58/392996258.db2.gz VNJDSRGCSRILFG-CZUORRHYSA-N 1 1 290.363 3.158 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C1CCC1 ZINC000470178153 393231433 /nfs/dbraw/zinc/23/14/33/393231433.db2.gz IJKQSAPPXWRRBM-FMIVXFBMSA-N 1 1 260.337 3.482 20 5 CGBDMO CC(C)CO[C@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000268350107 393196537 /nfs/dbraw/zinc/19/65/37/393196537.db2.gz DFIYIWQGUKPOTK-KBPBESRZSA-N 1 1 292.379 3.403 20 5 CGBDMO CCCC[N@@H+](C)CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488145021 393464278 /nfs/dbraw/zinc/46/42/78/393464278.db2.gz HFESTRFVKOBXBM-UHFFFAOYSA-N 1 1 285.775 3.392 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000430213342 393540601 /nfs/dbraw/zinc/54/06/01/393540601.db2.gz BKEGAMRHZZTVHT-VXGBXAGGSA-N 1 1 278.352 3.224 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429581158 393487783 /nfs/dbraw/zinc/48/77/83/393487783.db2.gz YEBPVZYTFHPFOJ-DGCLKSJQSA-N 1 1 278.352 3.224 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCCC[C@H]1C ZINC000430192387 393534466 /nfs/dbraw/zinc/53/44/66/393534466.db2.gz BSNSROTXGQFWJI-GFCCVEGCSA-N 1 1 278.352 3.368 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CC(C)C)C(C)C ZINC000430208054 393539046 /nfs/dbraw/zinc/53/90/46/393539046.db2.gz OJPGGRMRJYYBMB-UHFFFAOYSA-N 1 1 280.368 3.470 20 5 CGBDMO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000069066611 165051593 /nfs/dbraw/zinc/05/15/93/165051593.db2.gz CAJNMLDRLNPWIA-NSHDSACASA-N 1 1 260.293 3.381 20 5 CGBDMO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000069066611 165051597 /nfs/dbraw/zinc/05/15/97/165051597.db2.gz CAJNMLDRLNPWIA-NSHDSACASA-N 1 1 260.293 3.381 20 5 CGBDMO CC[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000091929333 287110233 /nfs/dbraw/zinc/11/02/33/287110233.db2.gz OVQGZUGNWSZZPJ-VUDGCMKMSA-N 1 1 260.337 3.340 20 5 CGBDMO CC1(C)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093339809 287115521 /nfs/dbraw/zinc/11/55/21/287115521.db2.gz XAEBBULZHCNNBA-FNORWQNLSA-N 1 1 260.337 3.340 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000096482960 287124011 /nfs/dbraw/zinc/12/40/11/287124011.db2.gz BKPIXQYMTOFCRI-CYBMUJFWSA-N 1 1 277.368 3.045 20 5 CGBDMO CCC[C@H](NCC(C)(C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000020126028 171009369 /nfs/dbraw/zinc/00/93/69/171009369.db2.gz IJQXQOJGCAJCIS-HNNXBMFYSA-N 1 1 293.411 3.366 20 5 CGBDMO CCC(CC)[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)N(C)C ZINC000020202232 171065989 /nfs/dbraw/zinc/06/59/89/171065989.db2.gz RBWBJNNFJHNPQB-MRXNPFEDSA-N 1 1 293.411 3.051 20 5 CGBDMO Cc1cccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000275511148 292559392 /nfs/dbraw/zinc/55/93/92/292559392.db2.gz UZJMVGKUMYPKRJ-GFCCVEGCSA-N 1 1 286.335 3.010 20 5 CGBDMO Cc1ccc(C[NH2+][C@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000035009614 171926240 /nfs/dbraw/zinc/92/62/40/171926240.db2.gz VVXWZLGCTXSBIX-GFCCVEGCSA-N 1 1 271.320 3.149 20 5 CGBDMO CSCC[C@@H](C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000126531573 287266818 /nfs/dbraw/zinc/26/68/18/287266818.db2.gz LMXGMIDQWUCCGG-LLVKDONJSA-N 1 1 282.409 3.477 20 5 CGBDMO CSCC[C@@H](C)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000126580293 287268088 /nfs/dbraw/zinc/26/80/88/287268088.db2.gz GJYYTLQNHMWWAS-GFCCVEGCSA-N 1 1 298.408 3.047 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nccs1 ZINC000128171137 287305010 /nfs/dbraw/zinc/30/50/10/287305010.db2.gz KWPOYSWMBXEMFP-JTQLQIEISA-N 1 1 277.349 3.211 20 5 CGBDMO Cc1oncc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000128355051 287309293 /nfs/dbraw/zinc/30/92/93/287309293.db2.gz IIICSYMLBKKZOI-UHFFFAOYSA-N 1 1 289.335 3.302 20 5 CGBDMO Cc1oncc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000128355051 287309296 /nfs/dbraw/zinc/30/92/96/287309296.db2.gz IIICSYMLBKKZOI-UHFFFAOYSA-N 1 1 289.335 3.302 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](C)[N@H+](C)C1CC1 ZINC000130965473 287367673 /nfs/dbraw/zinc/36/76/73/287367673.db2.gz XGKLEYHYXGDJPO-STQMWFEESA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000130965473 287367676 /nfs/dbraw/zinc/36/76/76/287367676.db2.gz XGKLEYHYXGDJPO-STQMWFEESA-N 1 1 291.395 3.037 20 5 CGBDMO CC(C)C[C@@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000037177165 270028964 /nfs/dbraw/zinc/02/89/64/270028964.db2.gz QBQQUHROVUHXNY-BBRMVZONSA-N 1 1 293.411 3.222 20 5 CGBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000521480903 270102090 /nfs/dbraw/zinc/10/20/90/270102090.db2.gz SUHFAVPNTNRDMC-ZDUSSCGKSA-N 1 1 280.368 3.340 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000482859628 274302558 /nfs/dbraw/zinc/30/25/58/274302558.db2.gz SHFXPMPUTXCNHL-ZJUUUORDSA-N 1 1 268.744 3.479 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCC(F)(F)C1)CC2 ZINC000450488631 275037644 /nfs/dbraw/zinc/03/76/44/275037644.db2.gz VSQQLHWDPFKTNQ-NSHDSACASA-N 1 1 296.317 3.388 20 5 CGBDMO C[C@@H](N[C@@H](C)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037153356 278362996 /nfs/dbraw/zinc/36/29/96/278362996.db2.gz BKZWTGDIFJTBPF-UONOGXRCSA-N 1 1 291.395 3.120 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000459784872 281020701 /nfs/dbraw/zinc/02/07/01/281020701.db2.gz JNWDHZNBPWPPMM-VXGBXAGGSA-N 1 1 288.351 3.049 20 5 CGBDMO C[C@H]([N@@H+](C)CCOc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000549929424 289061373 /nfs/dbraw/zinc/06/13/73/289061373.db2.gz BBIZKSBLYDCFJC-LBPRGKRZSA-N 1 1 280.368 3.340 20 5 CGBDMO CCc1ncc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000560351581 289585574 /nfs/dbraw/zinc/58/55/74/289585574.db2.gz HSUKLCSNGOBRAW-NSHDSACASA-N 1 1 289.335 3.304 20 5 CGBDMO CC(C)[C@H]1CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000568121686 322194212 /nfs/dbraw/zinc/19/42/12/322194212.db2.gz IUUNXKKNPGUTJK-BRLPQQTGSA-N 1 1 260.337 3.338 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H]1CCC(F)(F)C1)C2 ZINC000568592474 322214913 /nfs/dbraw/zinc/21/49/13/322214913.db2.gz ZOVRAEHYLZGZDK-NSHDSACASA-N 1 1 296.317 3.388 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCSc2ccc([N+](=O)[O-])cn2)C1 ZINC000569471498 322248432 /nfs/dbraw/zinc/24/84/32/322248432.db2.gz KSAFDHSQZVZLQR-TXEJJXNPSA-N 1 1 295.408 3.060 20 5 CGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cncc(F)c1 ZINC000358998137 533926032 /nfs/dbraw/zinc/92/60/32/533926032.db2.gz WBJCZXCNLRJPHL-VIFPVBQESA-N 1 1 293.273 3.119 20 5 CGBDMO Cc1ccc(C[NH2+]Cc2cnc(C3CC3)o2)cc1[N+](=O)[O-] ZINC000449698843 534073799 /nfs/dbraw/zinc/07/37/99/534073799.db2.gz PGFVYFIDYYJTOU-UHFFFAOYSA-N 1 1 287.319 3.058 20 5 CGBDMO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000427831140 534621903 /nfs/dbraw/zinc/62/19/03/534621903.db2.gz ITHABBWEARFEMJ-VXGBXAGGSA-N 1 1 286.335 3.105 20 5 CGBDMO Cc1ccc(C[N@@H+](C)[C@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000183726784 524402212 /nfs/dbraw/zinc/40/22/12/524402212.db2.gz FPDSERXOPLYMKT-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1ccc(C[N@H+](C)[C@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000183726784 524402221 /nfs/dbraw/zinc/40/22/21/524402221.db2.gz FPDSERXOPLYMKT-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)c1cccnc1 ZINC000183717876 525564162 /nfs/dbraw/zinc/56/41/62/525564162.db2.gz XWXJHWUBAHUNNZ-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO CC[N@H+]1CCC[C@H](CNc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088716178 535568730 /nfs/dbraw/zinc/56/87/30/535568730.db2.gz IKCAMMBBZGBCLV-CYBMUJFWSA-N 1 1 277.368 3.047 20 5 CGBDMO CCOC[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000459679670 535708042 /nfs/dbraw/zinc/70/80/42/535708042.db2.gz UHMXPJOCGNBVLG-GFCCVEGCSA-N 1 1 284.381 3.047 20 5 CGBDMO CCOC[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000459679670 535708048 /nfs/dbraw/zinc/70/80/48/535708048.db2.gz UHMXPJOCGNBVLG-GFCCVEGCSA-N 1 1 284.381 3.047 20 5 CGBDMO CO[C@@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451539072 536693427 /nfs/dbraw/zinc/69/34/27/536693427.db2.gz DZTBLBDUYRDECM-YWPYICTPSA-N 1 1 278.352 3.013 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1C ZINC000741790949 572529143 /nfs/dbraw/zinc/52/91/43/572529143.db2.gz OIQQTFZKGKIBTJ-GHMZBOCLSA-N 1 1 266.316 3.354 20 5 CGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC3(CCCC3)C2)c1 ZINC000743863738 572691602 /nfs/dbraw/zinc/69/16/02/572691602.db2.gz NOUZQOZLPVGBML-UHFFFAOYSA-N 1 1 290.363 3.240 20 5 CGBDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000743872755 572694762 /nfs/dbraw/zinc/69/47/62/572694762.db2.gz BTHPDWFDWBHLGL-WDEREUQCSA-N 1 1 266.316 3.354 20 5 CGBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCOC1 ZINC000735492291 572725992 /nfs/dbraw/zinc/72/59/92/572725992.db2.gz HOSFGWGKZGPCEQ-LLVKDONJSA-N 1 1 298.770 3.107 20 5 CGBDMO Cc1nn(C[N@H+](CC(C)C)C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000746056305 572849268 /nfs/dbraw/zinc/84/92/68/572849268.db2.gz YVJYTWKDLPZETR-UHFFFAOYSA-N 1 1 294.399 3.266 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCCF ZINC000895896108 619904947 /nfs/dbraw/zinc/90/49/47/619904947.db2.gz MQLBEAJXMBGWSA-FMIVXFBMSA-N 1 1 266.316 3.290 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](C)CC1 ZINC000896583359 620030361 /nfs/dbraw/zinc/03/03/61/620030361.db2.gz FWJPIXQPMAKFPY-UELRPHRMSA-N 1 1 290.363 3.109 20 5 CGBDMO CCO[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000042422104 620855441 /nfs/dbraw/zinc/85/54/41/620855441.db2.gz PGRCDVRPOVBFQC-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO CCO[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000042422104 620855445 /nfs/dbraw/zinc/85/54/45/620855445.db2.gz PGRCDVRPOVBFQC-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000228417053 623055048 /nfs/dbraw/zinc/05/50/48/623055048.db2.gz QRWVZYYKIVMVEW-YPMHNXCESA-N 1 1 295.770 3.287 20 5 CGBDMO Cc1ccc(NCc2cccc([N+](=O)[O-])c2C)[nH+]c1 ZINC000231868696 623346350 /nfs/dbraw/zinc/34/63/50/623346350.db2.gz OLCZBYNKQCQHBA-UHFFFAOYSA-N 1 1 257.293 3.219 20 5 CGBDMO CC(C)[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCS1 ZINC000174335516 623384048 /nfs/dbraw/zinc/38/40/48/623384048.db2.gz IUDKZINGAGQGPC-AWEZNQCLSA-N 1 1 298.383 3.307 20 5 CGBDMO CC(C)[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCS1 ZINC000174335516 623384059 /nfs/dbraw/zinc/38/40/59/623384059.db2.gz IUDKZINGAGQGPC-AWEZNQCLSA-N 1 1 298.383 3.307 20 5 CGBDMO CC[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154329175 624253342 /nfs/dbraw/zinc/25/33/42/624253342.db2.gz KFKIUMCUZCDPJZ-BBRMVZONSA-N 1 1 292.379 3.140 20 5 CGBDMO CC[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000758749266 626858563 /nfs/dbraw/zinc/85/85/63/626858563.db2.gz VJMPPIWKQIIMJI-AWEZNQCLSA-N 1 1 266.316 3.356 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[N@@H+]1CCC[C@H]1C ZINC000766273469 627310838 /nfs/dbraw/zinc/31/08/38/627310838.db2.gz PPHZYMSGNCOGLB-ZIAGYGMSSA-N 1 1 291.395 3.038 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[N@H+]1CCC[C@H]1C ZINC000766273469 627310842 /nfs/dbraw/zinc/31/08/42/627310842.db2.gz PPHZYMSGNCOGLB-ZIAGYGMSSA-N 1 1 291.395 3.038 20 5 CGBDMO CC(C)[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584672 628220934 /nfs/dbraw/zinc/22/09/34/628220934.db2.gz OHDNWDUFFNYKLU-HZPDHXFCSA-N 1 1 292.379 3.139 20 5 CGBDMO Cc1nn(C[N@@H+]2CCCC3(CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000783543766 628724151 /nfs/dbraw/zinc/72/41/51/628724151.db2.gz MSCRUCOBQACQLH-UHFFFAOYSA-N 1 1 292.383 3.022 20 5 CGBDMO Cc1nn(C[N@H+]2CCCC3(CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000783543766 628724154 /nfs/dbraw/zinc/72/41/54/628724154.db2.gz MSCRUCOBQACQLH-UHFFFAOYSA-N 1 1 292.383 3.022 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C3CC3)C2)cc1Cl ZINC000783571374 628727051 /nfs/dbraw/zinc/72/70/51/628727051.db2.gz BDWQFIIPUNMAQH-LBPRGKRZSA-N 1 1 280.755 3.480 20 5 CGBDMO CO[C@@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000793216433 629429782 /nfs/dbraw/zinc/42/97/82/629429782.db2.gz GWFYRORPUTZCQG-AWEZNQCLSA-N 1 1 298.770 3.249 20 5 CGBDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000793216433 629429784 /nfs/dbraw/zinc/42/97/84/629429784.db2.gz GWFYRORPUTZCQG-AWEZNQCLSA-N 1 1 298.770 3.249 20 5 CGBDMO CC1=CCC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000797823182 629988405 /nfs/dbraw/zinc/98/84/05/629988405.db2.gz NCFZLPOLTZORTG-UHFFFAOYSA-N 1 1 298.346 3.068 20 5 CGBDMO Cc1ccncc1C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801554985 630343153 /nfs/dbraw/zinc/34/31/53/630343153.db2.gz CCBATBRVDIKGNZ-UHFFFAOYSA-N 1 1 289.310 3.069 20 5 CGBDMO Cc1ccncc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801554985 630343158 /nfs/dbraw/zinc/34/31/58/630343158.db2.gz CCBATBRVDIKGNZ-UHFFFAOYSA-N 1 1 289.310 3.069 20 5 CGBDMO Cc1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000802658135 630403869 /nfs/dbraw/zinc/40/38/69/630403869.db2.gz LCQIMYHVORFOKG-UHFFFAOYSA-N 1 1 288.347 3.479 20 5 CGBDMO CCC(CC)[N@@H+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000808782164 630677840 /nfs/dbraw/zinc/67/78/40/630677840.db2.gz IKDOCJMYOKKKPE-HNNXBMFYSA-N 1 1 280.368 3.139 20 5 CGBDMO Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000878315614 635458004 /nfs/dbraw/zinc/45/80/04/635458004.db2.gz SMEYIFPEJYFPHG-LLVKDONJSA-N 1 1 288.269 3.287 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000878315614 635458008 /nfs/dbraw/zinc/45/80/08/635458008.db2.gz SMEYIFPEJYFPHG-LLVKDONJSA-N 1 1 288.269 3.287 20 5 CGBDMO CC[N@@H+](CCSC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000830999921 633909259 /nfs/dbraw/zinc/90/92/59/633909259.db2.gz ZCBKRARLVJGGKN-UHFFFAOYSA-N 1 1 288.800 3.433 20 5 CGBDMO Cc1ncccc1C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872089886 634015524 /nfs/dbraw/zinc/01/55/24/634015524.db2.gz HKFMLXCRNFNBIQ-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)CO2 ZINC000873077450 634243006 /nfs/dbraw/zinc/24/30/06/634243006.db2.gz SRJJPYMPSMRRJX-HNNXBMFYSA-N 1 1 298.342 3.435 20 5 CGBDMO CC1(F)CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000879381217 635772856 /nfs/dbraw/zinc/77/28/56/635772856.db2.gz UFXWTOUSQONOOH-UHFFFAOYSA-N 1 1 270.279 3.058 20 5 CGBDMO CC(C)CC[C@@H]1CCCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000128602337 636048452 /nfs/dbraw/zinc/04/84/52/636048452.db2.gz AFZYOITXONVEAB-ZDUSSCGKSA-N 1 1 280.372 3.040 20 5 CGBDMO CC(C)CC[C@@H]1CCCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000128602337 636048456 /nfs/dbraw/zinc/04/84/56/636048456.db2.gz AFZYOITXONVEAB-ZDUSSCGKSA-N 1 1 280.372 3.040 20 5 CGBDMO C[N@@H+](CCCc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000885953756 637329417 /nfs/dbraw/zinc/32/94/17/637329417.db2.gz FGSDMEREHUKSHZ-UHFFFAOYSA-N 1 1 285.347 3.054 20 5 CGBDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886027284 637374136 /nfs/dbraw/zinc/37/41/36/637374136.db2.gz CZNARKREJSMENJ-OLZOCXBDSA-N 1 1 295.408 3.096 20 5 CGBDMO CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886138482 637432339 /nfs/dbraw/zinc/43/23/39/637432339.db2.gz LGLLSEHVEBTUGK-INIZCTEOSA-N 1 1 297.358 3.327 20 5 CGBDMO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886138482 637432344 /nfs/dbraw/zinc/43/23/44/637432344.db2.gz LGLLSEHVEBTUGK-INIZCTEOSA-N 1 1 297.358 3.327 20 5 CGBDMO CC(C)[N@H+](Cc1cccnc1[N+](=O)[O-])CC1CCC1 ZINC000886173010 637447642 /nfs/dbraw/zinc/44/76/42/637447642.db2.gz CHKXIWIYGQIOAT-UHFFFAOYSA-N 1 1 263.341 3.000 20 5 CGBDMO CCC(CC)[N@@H+](CC)Cc1cccnc1[N+](=O)[O-] ZINC000886208151 637459209 /nfs/dbraw/zinc/45/92/09/637459209.db2.gz XNOVYVQLCQVBRZ-UHFFFAOYSA-N 1 1 251.330 3.000 20 5 CGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccnc1Cl ZINC000089513315 640649324 /nfs/dbraw/zinc/64/93/24/640649324.db2.gz NVSQMDNQXZXONP-JTQLQIEISA-N 1 1 291.738 3.494 20 5 CGBDMO CCC[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246270303 640668117 /nfs/dbraw/zinc/66/81/17/640668117.db2.gz MHJAWTWHFMMSSM-XJKSGUPXSA-N 1 1 292.379 3.140 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CF)C1 ZINC001254563294 806451491 /nfs/dbraw/zinc/45/14/91/806451491.db2.gz WEMZUXNIHUEZFH-QWHCGFSZSA-N 1 1 280.343 3.207 20 5 CGBDMO C[C@@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1C ZINC001254595982 806457321 /nfs/dbraw/zinc/45/73/21/806457321.db2.gz ASPJBHTVGXNUED-IGCXYCKISA-N 1 1 288.391 3.430 20 5 CGBDMO C[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H]1C ZINC001254600772 806458894 /nfs/dbraw/zinc/45/88/94/806458894.db2.gz RJBAZHQLQMXYSB-XHBSWPGZSA-N 1 1 274.364 3.182 20 5 CGBDMO C[N@@H+](Cc1ccsc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604893 806460578 /nfs/dbraw/zinc/46/05/78/806460578.db2.gz YENHCIPYVXQIPD-HNNXBMFYSA-N 1 1 288.372 3.256 20 5 CGBDMO CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000402581091 799563431 /nfs/dbraw/zinc/56/34/31/799563431.db2.gz DCUHFSVDPSFBDG-GFCCVEGCSA-N 1 1 298.770 3.249 20 5 CGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1cc(C)ccc1[N+](=O)[O-] ZINC001163424175 806762545 /nfs/dbraw/zinc/76/25/45/806762545.db2.gz WLQTZUUMLHOCKW-CYBMUJFWSA-N 1 1 279.384 3.436 20 5 CGBDMO CC[N@H+]1CC[C@H]1CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000712551650 800093180 /nfs/dbraw/zinc/09/31/80/800093180.db2.gz YYZFELWLMNOWLB-JTQLQIEISA-N 1 1 285.294 3.039 20 5 CGBDMO Cc1cc(N[C@@H]2CC[N@H+](C(C)(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC001163710739 806805222 /nfs/dbraw/zinc/80/52/22/806805222.db2.gz HWYLWKDHXWQDJJ-LLVKDONJSA-N 1 1 295.358 3.327 20 5 CGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000715612851 800141044 /nfs/dbraw/zinc/14/10/44/800141044.db2.gz JUMKVUWPZNYOQR-QGZVFWFLSA-N 1 1 297.358 3.281 20 5 CGBDMO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccns1 ZINC000715931271 800153386 /nfs/dbraw/zinc/15/33/86/800153386.db2.gz JFEMKQFNCKUOHG-VHSXEESVSA-N 1 1 277.349 3.463 20 5 CGBDMO Cc1cccc(NCC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001165278416 806984812 /nfs/dbraw/zinc/98/48/12/806984812.db2.gz GSHGYAZMGOSOQS-CYBMUJFWSA-N 1 1 277.368 3.047 20 5 CGBDMO Cc1c(F)cc([N+](=O)[O-])cc1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001165300347 806990697 /nfs/dbraw/zinc/99/06/97/806990697.db2.gz MIQAVSLWVMORHM-LBPRGKRZSA-N 1 1 295.358 3.186 20 5 CGBDMO Cc1cccc([C@@H]2CCCC[N@H+]2CC[N+](=O)[O-])c1C ZINC001167490916 807199460 /nfs/dbraw/zinc/19/94/60/807199460.db2.gz JVYDDNOXRVWGLJ-HNNXBMFYSA-N 1 1 262.353 3.107 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](C3CCCCC3)C2)C1 ZINC001169039044 807556915 /nfs/dbraw/zinc/55/69/15/807556915.db2.gz MTSWSTPWLSOXCC-VNQPRFMTSA-N 1 1 280.412 3.334 20 5 CGBDMO COc1ccccc1[C@H](C)[N@@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040230 807557240 /nfs/dbraw/zinc/55/72/40/807557240.db2.gz YYXRHIZATBCQMR-MJBXVCDLSA-N 1 1 292.379 3.133 20 5 CGBDMO COc1ccc([C@H](C)[N@@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169039511 807557355 /nfs/dbraw/zinc/55/73/55/807557355.db2.gz QMFRGAJDGUMRAZ-GUTXKFCHSA-N 1 1 292.379 3.133 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2Cc3cccc(Cl)c3C2)C1 ZINC001169038757 807557410 /nfs/dbraw/zinc/55/74/10/807557410.db2.gz KIEUTRUKSITTSB-JQWIXIFHSA-N 1 1 280.755 3.101 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC=C(c3ccccc3)CC2)C1 ZINC001169039929 807557939 /nfs/dbraw/zinc/55/79/39/807557939.db2.gz VXJYWEMIROZTON-YOEHRIQHSA-N 1 1 286.375 3.221 20 5 CGBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001261263598 807726421 /nfs/dbraw/zinc/72/64/21/807726421.db2.gz MVHIXNCJYRBLCN-UHFFFAOYSA-N 1 1 250.342 3.258 20 5 CGBDMO CC[N@@H+](C(C)C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170326635 807825833 /nfs/dbraw/zinc/82/58/33/807825833.db2.gz AWQYZTVAMMUAGZ-LBPRGKRZSA-N 1 1 280.368 3.265 20 5 CGBDMO COc1ccc(C[C@@H](C)[N@@H+](C)CC2CCC2)c([N+](=O)[O-])c1 ZINC001170348462 807828540 /nfs/dbraw/zinc/82/85/40/807828540.db2.gz XESOUIIJBUPVKS-GFCCVEGCSA-N 1 1 292.379 3.266 20 5 CGBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)CC2CC2)c1F ZINC001173184156 808532994 /nfs/dbraw/zinc/53/29/94/808532994.db2.gz LQHISWYEMFYUDA-SNVBAGLBSA-N 1 1 296.342 3.015 20 5 CGBDMO CC[C@H](C)[N@@H+](C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184074 808533027 /nfs/dbraw/zinc/53/30/27/808533027.db2.gz CQOQMIYPJSXDFG-WDEREUQCSA-N 1 1 298.358 3.404 20 5 CGBDMO CC[N@@H+]([C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C1CC1 ZINC001173184401 808533922 /nfs/dbraw/zinc/53/39/22/808533922.db2.gz MKQNIBQKVJMRSV-SNVBAGLBSA-N 1 1 296.342 3.158 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001173221505 808539979 /nfs/dbraw/zinc/53/99/79/808539979.db2.gz JEZSWQUQDHKBBB-YUELXQCFSA-N 1 1 274.364 3.258 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCc1cccnc1 ZINC001173234037 808542850 /nfs/dbraw/zinc/54/28/50/808542850.db2.gz OVFCLTPMBXDDGF-AWEZNQCLSA-N 1 1 299.374 3.095 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCc1ccccn1 ZINC001173230522 808543321 /nfs/dbraw/zinc/54/33/21/808543321.db2.gz YQGQNGZLZPQYCD-CQSZACIVSA-N 1 1 299.374 3.095 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2occc2C1 ZINC001173234235 808543562 /nfs/dbraw/zinc/54/35/62/808543562.db2.gz QGSBNWQNZHUDGZ-LBPRGKRZSA-N 1 1 286.331 3.177 20 5 CGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1sccc1[N+](=O)[O-] ZINC001184998933 810228303 /nfs/dbraw/zinc/22/83/03/810228303.db2.gz IYEIVZXQBCAJLW-GRYCIOLGSA-N 1 1 297.424 3.435 20 5 CGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(Cl)cccc1[N+](=O)[O-])C2 ZINC001228001906 817779672 /nfs/dbraw/zinc/77/96/72/817779672.db2.gz FEJJXSHOBNTLSS-URLYPYJESA-N 1 1 296.754 3.252 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC2CCC1CC2 ZINC001341666640 936446404 /nfs/dbraw/zinc/44/64/04/936446404.db2.gz KSZKGOIEVSOWNE-UHFFFAOYSA-N 1 1 264.300 3.108 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC2CCC1CC2 ZINC001341666640 936446407 /nfs/dbraw/zinc/44/64/07/936446407.db2.gz KSZKGOIEVSOWNE-UHFFFAOYSA-N 1 1 264.300 3.108 20 5 CGBDMO CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC001344333516 936529640 /nfs/dbraw/zinc/52/96/40/936529640.db2.gz BCQUBASEGIGIKN-UHFFFAOYSA-N 1 1 272.295 3.493 20 5 CGBDMO CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC001344333516 936529643 /nfs/dbraw/zinc/52/96/43/936529643.db2.gz BCQUBASEGIGIKN-UHFFFAOYSA-N 1 1 272.295 3.493 20 5 CGBDMO CC(C)[C@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC001458545394 937468041 /nfs/dbraw/zinc/46/80/41/937468041.db2.gz KXGRBVDIJAXVOV-CQSZACIVSA-N 1 1 297.786 3.025 20 5 CGBDMO CC[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC001459983908 937509166 /nfs/dbraw/zinc/50/91/66/937509166.db2.gz LVMSSBBQJGLLOE-QWRGUYRKSA-N 1 1 288.351 3.092 20 5 CGBDMO Cc1cc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(C)c1[N+](=O)[O-] ZINC001229465851 932156165 /nfs/dbraw/zinc/15/61/65/932156165.db2.gz GHDYBQMQFTUVGJ-AGGWBTHJSA-N 1 1 290.363 3.216 20 5 CGBDMO C[N@H+]1CCC[C@@H](Oc2ccc3ccccc3c2[N+](=O)[O-])C1 ZINC001230622152 932600321 /nfs/dbraw/zinc/60/03/21/932600321.db2.gz HULCLMBWAGSRFI-CYBMUJFWSA-N 1 1 286.331 3.221 20 5 CGBDMO Cc1cc([N+](=O)[O-])c(C)cc1OC1C[NH+](C(C)(C)C)C1 ZINC001230723860 932614777 /nfs/dbraw/zinc/61/47/77/932614777.db2.gz PMQMOYREEIELGL-UHFFFAOYSA-N 1 1 278.352 3.073 20 5 CGBDMO CC[C@H](C)[C@H](C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])OC ZINC001462221886 937626224 /nfs/dbraw/zinc/62/62/24/937626224.db2.gz WMNLXIUKIIQDNG-BBRMVZONSA-N 1 1 294.395 3.130 20 5 CGBDMO CC(C)[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001307139453 932768272 /nfs/dbraw/zinc/76/82/72/932768272.db2.gz IGZOFTPQFHIPOV-LBPRGKRZSA-N 1 1 297.786 3.167 20 5 CGBDMO CC(C)[C@@H](O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001307431364 932951248 /nfs/dbraw/zinc/95/12/48/932951248.db2.gz XRSMULYWTXCXRX-INIZCTEOSA-N 1 1 294.395 3.212 20 5 CGBDMO C=C/C=C\CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001473217731 937798246 /nfs/dbraw/zinc/79/82/46/937798246.db2.gz KEPMNPDVCLSJOW-ARJAWSKDSA-N 1 1 258.321 3.085 20 5 CGBDMO CCCC[N@@H+](CC[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC001473182110 937795860 /nfs/dbraw/zinc/79/58/60/937795860.db2.gz VEMJWBPVPSOBIV-ZDUSSCGKSA-N 1 1 250.342 3.126 20 5 CGBDMO O=[N+]([O-])CC[N@H+]1CCCC[C@H]1CCCc1ccccc1 ZINC001473298916 937801035 /nfs/dbraw/zinc/80/10/35/937801035.db2.gz CJIQQACKUBXKGV-INIZCTEOSA-N 1 1 276.380 3.141 20 5 CGBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1Oc1ccccc1 ZINC001473341611 937802606 /nfs/dbraw/zinc/80/26/06/937802606.db2.gz BDVBCAQTAMZPQO-CYBMUJFWSA-N 1 1 286.331 3.406 20 5 CGBDMO CC[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC001473402601 937804986 /nfs/dbraw/zinc/80/49/86/937804986.db2.gz LMBLDNKRLOCEAR-QWHCGFSZSA-N 1 1 278.352 3.094 20 5 CGBDMO CS[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000295062722 199325651 /nfs/dbraw/zinc/32/56/51/199325651.db2.gz OLUXRHVAEORNAQ-LLVKDONJSA-N 1 1 286.784 3.186 20 5 CGBDMO CS[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000295062722 199325652 /nfs/dbraw/zinc/32/56/52/199325652.db2.gz OLUXRHVAEORNAQ-LLVKDONJSA-N 1 1 286.784 3.186 20 5 CGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000426567528 529819957 /nfs/dbraw/zinc/81/99/57/529819957.db2.gz WJBQWLZUIFLFGN-OWNNVSBGSA-N 1 1 260.337 3.338 20 5 CGBDMO C[N@@H+](CCCCNc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000413350679 529884368 /nfs/dbraw/zinc/88/43/68/529884368.db2.gz XQJKYYBTKQPCQV-UHFFFAOYSA-N 1 1 281.331 3.020 20 5 CGBDMO CC[C@@H]1COC(C)(C)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000593056409 347033441 /nfs/dbraw/zinc/03/34/41/347033441.db2.gz IAHZXHYLXKLQHW-CQSZACIVSA-N 1 1 292.379 3.027 20 5 CGBDMO C[N@@H+](CCc1ccccc1)CCc1cccc([N+](=O)[O-])c1 ZINC000032232507 344930251 /nfs/dbraw/zinc/93/02/51/344930251.db2.gz DALWIIPSKXSKHY-UHFFFAOYSA-N 1 1 284.359 3.312 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(F)c2F)cc1 ZINC000037668554 344952105 /nfs/dbraw/zinc/95/21/05/344952105.db2.gz YQAQPQPYLBTOKN-UHFFFAOYSA-N 1 1 278.258 3.163 20 5 CGBDMO COCC[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000054174668 345130189 /nfs/dbraw/zinc/13/01/89/345130189.db2.gz ABWOGGLQCQJJMA-UHFFFAOYSA-N 1 1 284.381 3.047 20 5 CGBDMO CC(C)[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000065537849 345273709 /nfs/dbraw/zinc/27/37/09/345273709.db2.gz PUDPJDFQBQUCFA-HNNXBMFYSA-N 1 1 278.352 3.094 20 5 CGBDMO CCCC[N@@H+](CC)CCOc1cccc([N+](=O)[O-])c1 ZINC000071906149 345405801 /nfs/dbraw/zinc/40/58/01/345405801.db2.gz VGURPXCQRXIRJR-UHFFFAOYSA-N 1 1 266.341 3.096 20 5 CGBDMO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000073007009 345426039 /nfs/dbraw/zinc/42/60/39/345426039.db2.gz HGXHPROHYHHNSV-SECBINFHSA-N 1 1 275.308 3.050 20 5 CGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000075021393 345489675 /nfs/dbraw/zinc/48/96/75/345489675.db2.gz YNWYLLYADASUDL-KOLCDFICSA-N 1 1 254.355 3.277 20 5 CGBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000074287808 345465488 /nfs/dbraw/zinc/46/54/88/345465488.db2.gz OJFRROQOVJAWAW-CVEARBPZSA-N 1 1 292.379 3.029 20 5 CGBDMO C[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083127487 345724513 /nfs/dbraw/zinc/72/45/13/345724513.db2.gz VWHSJJQCQCSAGI-JTQLQIEISA-N 1 1 275.308 3.110 20 5 CGBDMO C[C@H](NCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000173323478 232280360 /nfs/dbraw/zinc/28/03/60/232280360.db2.gz OXALDIYOOSIOSX-KGLIPLIRSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@H](NCC[N@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000173323478 232280362 /nfs/dbraw/zinc/28/03/62/232280362.db2.gz OXALDIYOOSIOSX-KGLIPLIRSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@H]([N@H+](C)Cc1c(F)cccc1[N+](=O)[O-])C1(C)CC1 ZINC000177239569 232358372 /nfs/dbraw/zinc/35/83/72/232358372.db2.gz JLKPPFMULPCNJE-JTQLQIEISA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@H]([N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-])C1(C)CC1 ZINC000177239569 232358374 /nfs/dbraw/zinc/35/83/74/232358374.db2.gz JLKPPFMULPCNJE-JTQLQIEISA-N 1 1 266.316 3.354 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159682567 346168626 /nfs/dbraw/zinc/16/86/26/346168626.db2.gz IWCBOLWZCZZQPA-ZFWWWQNUSA-N 1 1 260.337 3.359 20 5 CGBDMO CCO[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000156067507 346156649 /nfs/dbraw/zinc/15/66/49/346156649.db2.gz RRBBYDROXGKFKX-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000156067507 346156652 /nfs/dbraw/zinc/15/66/52/346156652.db2.gz RRBBYDROXGKFKX-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@@H](C)C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000303486379 346444476 /nfs/dbraw/zinc/44/44/76/346444476.db2.gz RCCOTDPTNWHUGJ-CYBMUJFWSA-N 1 1 280.368 3.342 20 5 CGBDMO CCC(CC)[N@@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1F ZINC000314251526 535051254 /nfs/dbraw/zinc/05/12/54/535051254.db2.gz YKRAMKFNGHMBLH-UHFFFAOYSA-N 1 1 298.358 3.371 20 5 CGBDMO C[C@H]1CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119211060 370655627 /nfs/dbraw/zinc/65/56/27/370655627.db2.gz QXSXWRKFCLNWLF-NSHDSACASA-N 1 1 287.319 3.234 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000594597644 347199463 /nfs/dbraw/zinc/19/94/63/347199463.db2.gz DHSPMVYRWPMYGV-HUUCEWRRSA-N 1 1 293.342 3.163 20 5 CGBDMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595293692 347287284 /nfs/dbraw/zinc/28/72/84/347287284.db2.gz DKANVVDELGXCLI-ZDUSSCGKSA-N 1 1 266.316 3.354 20 5 CGBDMO CC1(C)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCS1 ZINC000595338441 347294106 /nfs/dbraw/zinc/29/41/06/347294106.db2.gz HWHOELXQYGLEKG-UHFFFAOYSA-N 1 1 284.356 3.061 20 5 CGBDMO CC1(C)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCS1 ZINC000595338441 347294109 /nfs/dbraw/zinc/29/41/09/347294109.db2.gz HWHOELXQYGLEKG-UHFFFAOYSA-N 1 1 284.356 3.061 20 5 CGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595407622 347299283 /nfs/dbraw/zinc/29/92/83/347299283.db2.gz CLAUWRBXQJTKKR-MFKMUULPSA-N 1 1 266.316 3.497 20 5 CGBDMO COc1ccc2c(c1)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000595760666 347352696 /nfs/dbraw/zinc/35/26/96/347352696.db2.gz URRUQHUMEQLWHD-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO COc1ccc2c(c1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000595760666 347352697 /nfs/dbraw/zinc/35/26/97/347352697.db2.gz URRUQHUMEQLWHD-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO CC(C)O[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595557781 347319115 /nfs/dbraw/zinc/31/91/15/347319115.db2.gz KCMPZLAVUQXLHJ-CQSZACIVSA-N 1 1 296.342 3.123 20 5 CGBDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595557781 347319116 /nfs/dbraw/zinc/31/91/16/347319116.db2.gz KCMPZLAVUQXLHJ-CQSZACIVSA-N 1 1 296.342 3.123 20 5 CGBDMO CC[C@H](C)[N@@H+](CC)CCOc1ccccc1[N+](=O)[O-] ZINC000595592536 347322823 /nfs/dbraw/zinc/32/28/23/347322823.db2.gz FMWCBGAMNNPEKP-LBPRGKRZSA-N 1 1 266.341 3.094 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599674878 347764210 /nfs/dbraw/zinc/76/42/10/347764210.db2.gz JUCKEMGSJAKUQN-BBRMVZONSA-N 1 1 290.363 3.368 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599165237 347722549 /nfs/dbraw/zinc/72/25/49/347722549.db2.gz OJROKGFBRSSZLB-ZDUSSCGKSA-N 1 1 293.342 3.163 20 5 CGBDMO Cc1cc(NC[C@@H]2CC[N@H+]2C2CCCC2)c([N+](=O)[O-])s1 ZINC000599165766 347722807 /nfs/dbraw/zinc/72/28/07/347722807.db2.gz RZXCJOICOXKVJN-LBPRGKRZSA-N 1 1 295.408 3.394 20 5 CGBDMO C[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000351858800 219228584 /nfs/dbraw/zinc/22/85/84/219228584.db2.gz NNDATZSAUUTSEN-SNVBAGLBSA-N 1 1 284.306 3.495 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000351858800 219228585 /nfs/dbraw/zinc/22/85/85/219228585.db2.gz NNDATZSAUUTSEN-SNVBAGLBSA-N 1 1 284.306 3.495 20 5 CGBDMO Cc1ncc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)s1 ZINC000601149053 347875058 /nfs/dbraw/zinc/87/50/58/347875058.db2.gz FMCXWIONMWVYRQ-QMMMGPOBSA-N 1 1 295.339 3.350 20 5 CGBDMO CC(C)[C@@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604435560 348120211 /nfs/dbraw/zinc/12/02/11/348120211.db2.gz XRMDVUPIFSPXBK-INIZCTEOSA-N 1 1 292.379 3.484 20 5 CGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000604498490 348121501 /nfs/dbraw/zinc/12/15/01/348121501.db2.gz NBIUZEDHSCXNIJ-UHFFFAOYSA-N 1 1 262.353 3.259 20 5 CGBDMO C[C@H]1CCC[C@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000603848796 348098832 /nfs/dbraw/zinc/09/88/32/348098832.db2.gz OONRHMACOLQAJH-KBPBESRZSA-N 1 1 292.379 3.484 20 5 CGBDMO C[C@H]1CCC[C@@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000603848800 348098907 /nfs/dbraw/zinc/09/89/07/348098907.db2.gz OONRHMACOLQAJH-UONOGXRCSA-N 1 1 292.379 3.484 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1NCC[NH+]1Cc2ccccc2C1 ZINC000608855977 348332987 /nfs/dbraw/zinc/33/29/87/348332987.db2.gz BHKGROYHFUJBGE-UHFFFAOYSA-N 1 1 297.358 3.331 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)c(F)c1 ZINC000610476406 348384014 /nfs/dbraw/zinc/38/40/14/348384014.db2.gz NUZAIXZZNBVENU-GFCCVEGCSA-N 1 1 290.294 3.316 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000610476545 348384683 /nfs/dbraw/zinc/38/46/83/348384683.db2.gz HBWUEYNPKIIAGJ-OAHLLOKOSA-N 1 1 290.363 3.368 20 5 CGBDMO COCC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CCCC1 ZINC000611257692 348432211 /nfs/dbraw/zinc/43/22/11/348432211.db2.gz PVWHHDHOTCXSPI-UHFFFAOYSA-N 1 1 292.379 3.294 20 5 CGBDMO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000611133204 348424430 /nfs/dbraw/zinc/42/44/30/348424430.db2.gz MYUCGKFCNDLQDY-ZDUSSCGKSA-N 1 1 289.360 3.255 20 5 CGBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000611133204 348424433 /nfs/dbraw/zinc/42/44/33/348424433.db2.gz MYUCGKFCNDLQDY-ZDUSSCGKSA-N 1 1 289.360 3.255 20 5 CGBDMO Cc1ccnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000616768734 348877743 /nfs/dbraw/zinc/87/77/43/348877743.db2.gz HFVPJIQYUXMHCO-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1ccnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000616768734 348877747 /nfs/dbraw/zinc/87/77/47/348877747.db2.gz HFVPJIQYUXMHCO-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000339570086 215248292 /nfs/dbraw/zinc/24/82/92/215248292.db2.gz VBNMVLXIGQJKGG-DTWKUNHWSA-N 1 1 254.717 3.088 20 5 CGBDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000339570086 215248294 /nfs/dbraw/zinc/24/82/94/215248294.db2.gz VBNMVLXIGQJKGG-DTWKUNHWSA-N 1 1 254.717 3.088 20 5 CGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1sccc1[N+](=O)[O-] ZINC000619158302 349214903 /nfs/dbraw/zinc/21/49/03/349214903.db2.gz QHBSVALUEILKCT-NSHDSACASA-N 1 1 283.397 3.189 20 5 CGBDMO Cc1ccoc1C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000292042937 198143245 /nfs/dbraw/zinc/14/32/45/198143245.db2.gz AHJMRCPCWSCCKJ-UHFFFAOYSA-N 1 1 274.320 3.171 20 5 CGBDMO Cc1ccc([C@@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000156564426 188269014 /nfs/dbraw/zinc/26/90/14/188269014.db2.gz UMUXGTWZPATWJF-UMVBOHGHSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1ccc([C@@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000156564426 188269015 /nfs/dbraw/zinc/26/90/15/188269015.db2.gz UMUXGTWZPATWJF-UMVBOHGHSA-N 1 1 291.395 3.037 20 5 CGBDMO CCc1noc(C)c1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271784512 191323419 /nfs/dbraw/zinc/32/34/19/191323419.db2.gz SRWWGYDVVCSIOF-JTQLQIEISA-N 1 1 289.335 3.304 20 5 CGBDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000412050380 235118335 /nfs/dbraw/zinc/11/83/35/235118335.db2.gz YHRNZSHTDHKMLK-SECBINFHSA-N 1 1 254.355 3.277 20 5 CGBDMO Cc1cc(NCC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000413434378 235277560 /nfs/dbraw/zinc/27/75/60/235277560.db2.gz GBBUOLQSWNNLKA-ZDUSSCGKSA-N 1 1 277.368 3.047 20 5 CGBDMO C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000124403911 138375040 /nfs/dbraw/zinc/37/50/40/138375040.db2.gz CRSOEVPSKDXUID-SECBINFHSA-N 1 1 286.278 3.181 20 5 CGBDMO C[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000124403911 138375041 /nfs/dbraw/zinc/37/50/41/138375041.db2.gz CRSOEVPSKDXUID-SECBINFHSA-N 1 1 286.278 3.181 20 5 CGBDMO CCC(C)(C)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000512280219 535354902 /nfs/dbraw/zinc/35/49/02/535354902.db2.gz OAZGUDISGLUPPW-UHFFFAOYSA-N 1 1 266.341 3.094 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCc2cccnc2)C2CC2)c1 ZINC000178076054 189089222 /nfs/dbraw/zinc/08/92/22/189089222.db2.gz UUNBERSUKKSXCR-UHFFFAOYSA-N 1 1 297.358 3.197 20 5 CGBDMO CC(C)[N@@H+](C)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000353152700 219923601 /nfs/dbraw/zinc/92/36/01/219923601.db2.gz MDHWEQQCPKAVTC-NSHDSACASA-N 1 1 299.802 3.067 20 5 CGBDMO CS[C@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000451309821 240271829 /nfs/dbraw/zinc/27/18/29/240271829.db2.gz DUGAPSXRNVQKMB-GWCFXTLKSA-N 1 1 266.366 3.093 20 5 CGBDMO CC(C)OC1CC([N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000459463529 242117838 /nfs/dbraw/zinc/11/78/38/242117838.db2.gz MHNOVUJZGZCHHW-UHFFFAOYSA-N 1 1 292.379 3.025 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000302745628 201536130 /nfs/dbraw/zinc/53/61/30/201536130.db2.gz PKUHIKAWISVWPB-NSHDSACASA-N 1 1 288.269 3.369 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000302745628 201536133 /nfs/dbraw/zinc/53/61/33/201536133.db2.gz PKUHIKAWISVWPB-NSHDSACASA-N 1 1 288.269 3.369 20 5 CGBDMO Cc1c(C[N@H+]2CCC(C)=C(C)C2)cccc1[N+](=O)[O-] ZINC000483382875 243280783 /nfs/dbraw/zinc/28/07/83/243280783.db2.gz YKPPLIFKQCCQTC-UHFFFAOYSA-N 1 1 260.337 3.445 20 5 CGBDMO C[N@H+](C/C=C/c1ccncc1)Cc1ccccc1[N+](=O)[O-] ZINC000495069702 244353525 /nfs/dbraw/zinc/35/35/25/244353525.db2.gz MXYCLVNUXLNNSX-SNAWJCMRSA-N 1 1 283.331 3.135 20 5 CGBDMO C[N@@H+](C/C=C/c1ccncc1)Cc1ccccc1[N+](=O)[O-] ZINC000495069702 244353528 /nfs/dbraw/zinc/35/35/28/244353528.db2.gz MXYCLVNUXLNNSX-SNAWJCMRSA-N 1 1 283.331 3.135 20 5 CGBDMO CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000048953922 369377058 /nfs/dbraw/zinc/37/70/58/369377058.db2.gz NQCLNNRFIKIVSO-LBPRGKRZSA-N 1 1 298.770 3.249 20 5 CGBDMO CCc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000051724234 369453913 /nfs/dbraw/zinc/45/39/13/369453913.db2.gz ZWPGEVCRZNGGOO-UHFFFAOYSA-N 1 1 260.293 3.040 20 5 CGBDMO Cc1[nH+]c2cc(Nc3nccc(C)c3[N+](=O)[O-])ccc2n1C ZINC000078674669 369953164 /nfs/dbraw/zinc/95/31/64/369953164.db2.gz CEQHAWDZQLWUQB-UHFFFAOYSA-N 1 1 297.318 3.237 20 5 CGBDMO C[N@@H+](CCc1cccs1)CCc1ccc([N+](=O)[O-])cc1 ZINC000075965725 369923667 /nfs/dbraw/zinc/92/36/67/369923667.db2.gz JQKRECUDYHTHBT-UHFFFAOYSA-N 1 1 290.388 3.373 20 5 CGBDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093419081 370127696 /nfs/dbraw/zinc/12/76/96/370127696.db2.gz MGZJDIFXKWLPBT-OAHLLOKOSA-N 1 1 292.379 3.152 20 5 CGBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000116273778 370555575 /nfs/dbraw/zinc/55/55/75/370555575.db2.gz GRCMGZAJUTUYBS-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000116273778 370555582 /nfs/dbraw/zinc/55/55/82/370555582.db2.gz GRCMGZAJUTUYBS-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO Cc1c([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000132136924 371154990 /nfs/dbraw/zinc/15/49/90/371154990.db2.gz SYUHWXOUHIIGAB-CYBMUJFWSA-N 1 1 293.411 3.142 20 5 CGBDMO Cc1c([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000132137104 371155146 /nfs/dbraw/zinc/15/51/46/371155146.db2.gz SYUHWXOUHIIGAB-ZDUSSCGKSA-N 1 1 293.411 3.142 20 5 CGBDMO CS[C@H]1CCCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000134604695 371352786 /nfs/dbraw/zinc/35/27/86/371352786.db2.gz QSJVWQBOUJXBCC-HNNXBMFYSA-N 1 1 294.420 3.355 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000137300270 371496543 /nfs/dbraw/zinc/49/65/43/371496543.db2.gz BPTKJRSNOUGDBD-UHFFFAOYSA-N 1 1 268.316 3.153 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000137300270 371496548 /nfs/dbraw/zinc/49/65/48/371496548.db2.gz BPTKJRSNOUGDBD-UHFFFAOYSA-N 1 1 268.316 3.153 20 5 CGBDMO CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000422837634 371835035 /nfs/dbraw/zinc/83/50/35/371835035.db2.gz MPQYCRGYTQIFCG-INWMFGNUSA-N 1 1 291.395 3.024 20 5 CGBDMO COc1ccc(C[N@H+]2CCC[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000344104131 217053084 /nfs/dbraw/zinc/05/30/84/217053084.db2.gz ORABHDXIRHTJIL-CQSZACIVSA-N 1 1 290.363 3.225 20 5 CGBDMO CCC[N@@H+](CC)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000156797340 371995430 /nfs/dbraw/zinc/99/54/30/371995430.db2.gz HSJZHARRABDVAY-CQSZACIVSA-N 1 1 293.411 3.286 20 5 CGBDMO CCCN(CC)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000156797340 371995435 /nfs/dbraw/zinc/99/54/35/371995435.db2.gz HSJZHARRABDVAY-CQSZACIVSA-N 1 1 293.411 3.286 20 5 CGBDMO CCC[N@@H+](CC)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000156797513 371995762 /nfs/dbraw/zinc/99/57/62/371995762.db2.gz NXFDQYWVKMXKAA-AWEZNQCLSA-N 1 1 293.411 3.286 20 5 CGBDMO CCCN(CC)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000156797513 371995768 /nfs/dbraw/zinc/99/57/68/371995768.db2.gz NXFDQYWVKMXKAA-AWEZNQCLSA-N 1 1 293.411 3.286 20 5 CGBDMO CC[N@@H+](C[C@@H](C)OC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000291264358 372149806 /nfs/dbraw/zinc/14/98/06/372149806.db2.gz PASQQGWUEJAHRJ-NEPJUHHUSA-N 1 1 266.341 3.013 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000428471558 372217587 /nfs/dbraw/zinc/21/75/87/372217587.db2.gz XZSIUGKFUOXNPY-AWEZNQCLSA-N 1 1 292.379 3.065 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+](Cc2cccnc2)C2CC2)c1 ZINC000162339854 372389005 /nfs/dbraw/zinc/38/90/05/372389005.db2.gz JPAYZAJNLJDDLV-UHFFFAOYSA-N 1 1 283.331 3.154 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cccnc2)C2CC2)c1 ZINC000162339854 372389013 /nfs/dbraw/zinc/38/90/13/372389013.db2.gz JPAYZAJNLJDDLV-UHFFFAOYSA-N 1 1 283.331 3.154 20 5 CGBDMO CCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000353416823 220070516 /nfs/dbraw/zinc/07/05/16/220070516.db2.gz QVUOLOWPZKWIFW-VQHVLOKHSA-N 1 1 292.379 3.091 20 5 CGBDMO C[C@H](CNc1cccc(F)c1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000301100870 373660900 /nfs/dbraw/zinc/66/09/00/373660900.db2.gz ONFAEXYHCBTDMF-VXGBXAGGSA-N 1 1 295.358 3.266 20 5 CGBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000301158015 373679233 /nfs/dbraw/zinc/67/92/33/373679233.db2.gz GOPYSJTZDWDBHD-UHFFFAOYSA-N 1 1 285.775 3.390 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]2C2CC2)c(Cl)c1 ZINC000449423295 373693383 /nfs/dbraw/zinc/69/33/83/373693383.db2.gz AMYXBMRVKQVQMK-CYBMUJFWSA-N 1 1 266.728 3.233 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]2C2CC2)c(Cl)c1 ZINC000449423295 373693393 /nfs/dbraw/zinc/69/33/93/373693393.db2.gz AMYXBMRVKQVQMK-CYBMUJFWSA-N 1 1 266.728 3.233 20 5 CGBDMO CS[C@H]1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000449445156 373720859 /nfs/dbraw/zinc/72/08/59/373720859.db2.gz HEHMEBHCMKBTTN-JQVXPOPVSA-N 1 1 292.404 3.435 20 5 CGBDMO COC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449760106 373887646 /nfs/dbraw/zinc/88/76/46/373887646.db2.gz LWOXIKRVYYPHDO-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449760106 373887653 /nfs/dbraw/zinc/88/76/53/373887653.db2.gz LWOXIKRVYYPHDO-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CSCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182236152 374243547 /nfs/dbraw/zinc/24/35/47/374243547.db2.gz KSERGFDJIMAAMK-UHFFFAOYSA-N 1 1 274.773 3.043 20 5 CGBDMO CSCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182236152 374243553 /nfs/dbraw/zinc/24/35/53/374243553.db2.gz KSERGFDJIMAAMK-UHFFFAOYSA-N 1 1 274.773 3.043 20 5 CGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000185636547 374704485 /nfs/dbraw/zinc/70/44/85/374704485.db2.gz RVWBYZIBCINOLH-AAEUAGOBSA-N 1 1 278.352 3.224 20 5 CGBDMO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@H]1C ZINC000487977024 375289472 /nfs/dbraw/zinc/28/94/72/375289472.db2.gz FMFLQOKXPCRBSX-CJNGLKHVSA-N 1 1 292.379 3.232 20 5 CGBDMO COCC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1C ZINC000487976522 375290489 /nfs/dbraw/zinc/29/04/89/375290489.db2.gz ULRNGSUXNUEIGS-AAEUAGOBSA-N 1 1 298.408 3.293 20 5 CGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1C ZINC000487990745 375291178 /nfs/dbraw/zinc/29/11/78/375291178.db2.gz RVNWHEACMXEXHL-CZUORRHYSA-N 1 1 292.379 3.232 20 5 CGBDMO CO[C@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000189290511 375357398 /nfs/dbraw/zinc/35/73/98/375357398.db2.gz IJKSPZAWCZRZKK-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000189290511 375357404 /nfs/dbraw/zinc/35/74/04/375357404.db2.gz IJKSPZAWCZRZKK-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO C[C@H]1CCCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509148971 375774334 /nfs/dbraw/zinc/77/43/34/375774334.db2.gz CMXISDPGUQYMSK-JTQLQIEISA-N 1 1 284.306 3.495 20 5 CGBDMO C[C@H]1CCCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509148971 375774337 /nfs/dbraw/zinc/77/43/37/375774337.db2.gz CMXISDPGUQYMSK-JTQLQIEISA-N 1 1 284.306 3.495 20 5 CGBDMO C=Cn1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000193702135 375912856 /nfs/dbraw/zinc/91/28/56/375912856.db2.gz APUPUKPHDUEAOK-UHFFFAOYSA-N 1 1 298.346 3.056 20 5 CGBDMO C=Cn1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000193702135 375912862 /nfs/dbraw/zinc/91/28/62/375912862.db2.gz APUPUKPHDUEAOK-UHFFFAOYSA-N 1 1 298.346 3.056 20 5 CGBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000538936694 376279125 /nfs/dbraw/zinc/27/91/25/376279125.db2.gz IUMVJVSPKBNXIG-UKRRQHHQSA-N 1 1 291.395 3.212 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000245517147 376840179 /nfs/dbraw/zinc/84/01/79/376840179.db2.gz GQBMUVGDCQQLKB-HEHGZKQESA-N 1 1 292.379 3.057 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000245532457 376845432 /nfs/dbraw/zinc/84/54/32/376845432.db2.gz UOVOLOIVTWEHFW-CHWSQXEVSA-N 1 1 292.379 3.464 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000245532457 376845438 /nfs/dbraw/zinc/84/54/38/376845438.db2.gz UOVOLOIVTWEHFW-CHWSQXEVSA-N 1 1 292.379 3.464 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H]1CCCOC1 ZINC000558414091 377004838 /nfs/dbraw/zinc/00/48/38/377004838.db2.gz WSPFGIONXLVJIF-OVHOFWQVSA-N 1 1 290.363 3.109 20 5 CGBDMO COC[C@H](C)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000562521772 377324390 /nfs/dbraw/zinc/32/43/90/377324390.db2.gz WBHAGVYGMLFXNF-UKRRQHHQSA-N 1 1 292.379 3.057 20 5 CGBDMO Cc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000314234518 249095449 /nfs/dbraw/zinc/09/54/49/249095449.db2.gz XJXWJHPGRJHADO-RYUDHWBXSA-N 1 1 293.342 3.081 20 5 CGBDMO CC(C)CO[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000268350110 378054494 /nfs/dbraw/zinc/05/44/94/378054494.db2.gz DFIYIWQGUKPOTK-UONOGXRCSA-N 1 1 292.379 3.403 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCc1ccncc1 ZINC000272358383 378620233 /nfs/dbraw/zinc/62/02/33/378620233.db2.gz MKFPRGPKLUBSIP-CYBMUJFWSA-N 1 1 285.347 3.225 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)CC1(C)C ZINC000350181211 379526033 /nfs/dbraw/zinc/52/60/33/379526033.db2.gz LVKTXRKMACJPBZ-NSHDSACASA-N 1 1 278.352 3.224 20 5 CGBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000266903288 190289132 /nfs/dbraw/zinc/28/91/32/190289132.db2.gz AFKSJVCHPYPRFS-LLVKDONJSA-N 1 1 298.770 3.107 20 5 CGBDMO C[C@H](C1CC1)[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000283693190 380083828 /nfs/dbraw/zinc/08/38/28/380083828.db2.gz XHTGJWWZIUTQAA-SNVBAGLBSA-N 1 1 278.327 3.497 20 5 CGBDMO C[C@@H](C1CC1)[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000283693187 380084369 /nfs/dbraw/zinc/08/43/69/380084369.db2.gz XHTGJWWZIUTQAA-JTQLQIEISA-N 1 1 278.327 3.497 20 5 CGBDMO CCC[N@H+]1CCC[C@@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000353972757 380259017 /nfs/dbraw/zinc/25/90/17/380259017.db2.gz ORIMDBWAMHIJAS-CZUORRHYSA-N 1 1 291.395 3.120 20 5 CGBDMO CCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000353972757 380259019 /nfs/dbraw/zinc/25/90/19/380259019.db2.gz ORIMDBWAMHIJAS-CZUORRHYSA-N 1 1 291.395 3.120 20 5 CGBDMO Cc1occc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000414443464 380239462 /nfs/dbraw/zinc/23/94/62/380239462.db2.gz CXBRQQNEXUCMLH-UHFFFAOYSA-N 1 1 274.320 3.171 20 5 CGBDMO CC1=C(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000361623537 381844684 /nfs/dbraw/zinc/84/46/84/381844684.db2.gz NSTIGUMTSNBSHS-UHFFFAOYSA-N 1 1 286.335 3.013 20 5 CGBDMO CC1=C(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000361623537 381844690 /nfs/dbraw/zinc/84/46/90/381844690.db2.gz NSTIGUMTSNBSHS-UHFFFAOYSA-N 1 1 286.335 3.013 20 5 CGBDMO CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000330727908 285030560 /nfs/dbraw/zinc/03/05/60/285030560.db2.gz MKMRDUCMTHWCSF-ZFWWWQNUSA-N 1 1 292.379 3.465 20 5 CGBDMO CCCC[C@H](C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000289841378 392434576 /nfs/dbraw/zinc/43/45/76/392434576.db2.gz KFVNRLASDIJEKP-WFASDCNBSA-N 1 1 280.368 3.139 20 5 CGBDMO CC(C)CC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000158167906 392558842 /nfs/dbraw/zinc/55/88/42/392558842.db2.gz LQMGGTAFCBBXJM-CQSZACIVSA-N 1 1 294.399 3.082 20 5 CGBDMO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000161862859 392587883 /nfs/dbraw/zinc/58/78/83/392587883.db2.gz MAASOAXPHZGJNJ-CQSZACIVSA-N 1 1 289.310 3.370 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)(C)C1 ZINC000331530634 392694862 /nfs/dbraw/zinc/69/48/62/392694862.db2.gz QYDGLXOIGUYPAC-SNVBAGLBSA-N 1 1 288.351 3.092 20 5 CGBDMO CC(C)[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509390152 392748345 /nfs/dbraw/zinc/74/83/45/392748345.db2.gz UCRGEILLTVRKIW-SNVBAGLBSA-N 1 1 284.306 3.351 20 5 CGBDMO CC(C)[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509390152 392748347 /nfs/dbraw/zinc/74/83/47/392748347.db2.gz UCRGEILLTVRKIW-SNVBAGLBSA-N 1 1 284.306 3.351 20 5 CGBDMO CO[C@@]1(C)CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000330962052 392695529 /nfs/dbraw/zinc/69/55/29/392695529.db2.gz CBFWHDOXDNLICW-CJNGLKHVSA-N 1 1 292.379 3.465 20 5 CGBDMO CC(C)CCOCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511074168 392826405 /nfs/dbraw/zinc/82/64/05/392826405.db2.gz NOBQRMQSBLMWJG-UHFFFAOYSA-N 1 1 294.395 3.132 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000429563026 393479457 /nfs/dbraw/zinc/47/94/57/393479457.db2.gz AWJZRBMFSGCNKL-PWSUYJOCSA-N 1 1 296.342 3.363 20 5 CGBDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430224833 393543623 /nfs/dbraw/zinc/54/36/23/393543623.db2.gz WOTXFUKAKQTHIO-HNNXBMFYSA-N 1 1 278.352 3.225 20 5 CGBDMO CC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430192156 393534432 /nfs/dbraw/zinc/53/44/32/393534432.db2.gz AMYCMJYCIURJCV-LBPRGKRZSA-N 1 1 278.352 3.225 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430192155 393534966 /nfs/dbraw/zinc/53/49/66/393534966.db2.gz AMYCMJYCIURJCV-GFCCVEGCSA-N 1 1 278.352 3.225 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1(C)CCCC1 ZINC000430243414 393547972 /nfs/dbraw/zinc/54/79/72/393547972.db2.gz LIHKGVDHSWTQRO-UHFFFAOYSA-N 1 1 278.352 3.368 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H](C)OC ZINC000361021038 393646014 /nfs/dbraw/zinc/64/60/14/393646014.db2.gz CKVSCWHYHFZBOE-JTQLQIEISA-N 1 1 286.759 3.105 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H](C)OC ZINC000361021038 393646016 /nfs/dbraw/zinc/64/60/16/393646016.db2.gz CKVSCWHYHFZBOE-JTQLQIEISA-N 1 1 286.759 3.105 20 5 CGBDMO C[C@H]([NH2+][C@@H](CN)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423258352 393656275 /nfs/dbraw/zinc/65/62/75/393656275.db2.gz BKCZMVWHRWNOPV-LRDDRELGSA-N 1 1 291.395 3.153 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000491144678 393668237 /nfs/dbraw/zinc/66/82/37/393668237.db2.gz ZJDLFKOIAYWQRL-LLVKDONJSA-N 1 1 280.755 3.480 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C2CC2)C1 ZINC000491159497 393669038 /nfs/dbraw/zinc/66/90/38/393669038.db2.gz DPBSIDODIBFCHC-AAEUAGOBSA-N 1 1 260.337 3.388 20 5 CGBDMO CO[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000443072669 393742508 /nfs/dbraw/zinc/74/25/08/393742508.db2.gz VPOAUWWRILTQPS-KSLFURFDSA-N 1 1 290.363 3.107 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000500407949 393826810 /nfs/dbraw/zinc/82/68/10/393826810.db2.gz MJTGCDVBYUTOFY-GFCCVEGCSA-N 1 1 295.358 3.410 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000449543119 393892972 /nfs/dbraw/zinc/89/29/72/393892972.db2.gz SCQGQCGCEWIOGR-CVEARBPZSA-N 1 1 272.348 3.215 20 5 CGBDMO CC(C)C[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000552625435 289194471 /nfs/dbraw/zinc/19/44/71/289194471.db2.gz ROJBEYXNJPIJRW-LBPRGKRZSA-N 1 1 262.353 3.388 20 5 CGBDMO Cn1cccc1[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000076612866 287035391 /nfs/dbraw/zinc/03/53/91/287035391.db2.gz AWZKLLBDDJVYNK-QGZVFWFLSA-N 1 1 299.374 3.313 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCS[C@H](C)CC1 ZINC000276888742 287152535 /nfs/dbraw/zinc/15/25/35/287152535.db2.gz FYDAKQUPZQROJG-NEPJUHHUSA-N 1 1 280.393 3.483 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116276532 287156921 /nfs/dbraw/zinc/15/69/21/287156921.db2.gz IYIQHRJMYFOSPN-SECBINFHSA-N 1 1 256.733 3.479 20 5 CGBDMO CC[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H](C)O1 ZINC000182778776 287207426 /nfs/dbraw/zinc/20/74/26/287207426.db2.gz ASOLXQKOEZSJFE-KCQAQPDRSA-N 1 1 292.379 3.464 20 5 CGBDMO CC[C@@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H](C)O1 ZINC000182778776 287207428 /nfs/dbraw/zinc/20/74/28/287207428.db2.gz ASOLXQKOEZSJFE-KCQAQPDRSA-N 1 1 292.379 3.464 20 5 CGBDMO CC(C)C[C@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000020201864 171066226 /nfs/dbraw/zinc/06/62/26/171066226.db2.gz BEVCTYCWDBVHER-CZUORRHYSA-N 1 1 293.411 3.222 20 5 CGBDMO Cc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000284865033 196147014 /nfs/dbraw/zinc/14/70/14/196147014.db2.gz DJORXYGQHBNMOG-GOEBONIOSA-N 1 1 290.363 3.047 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1cccc(F)c1[N+](=O)[O-] ZINC000037420630 173197734 /nfs/dbraw/zinc/19/77/34/173197734.db2.gz ZDCPNSWKRGVKLW-GFCCVEGCSA-N 1 1 295.358 3.410 20 5 CGBDMO CC[C@H]([NH2+]Cc1cc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000044985955 175284756 /nfs/dbraw/zinc/28/47/56/175284756.db2.gz CZEGJEYCEOWPFY-AWEZNQCLSA-N 1 1 275.308 3.132 20 5 CGBDMO CCN(CC)C[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531959476 270211532 /nfs/dbraw/zinc/21/15/32/270211532.db2.gz DKSBFBSMVSNMHJ-ZIAGYGMSSA-N 1 1 293.411 3.284 20 5 CGBDMO C[C@@H](NCC[C@@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000271728607 274247686 /nfs/dbraw/zinc/24/76/86/274247686.db2.gz MOOMDJJVOCPHSY-KGLIPLIRSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352004698 274314226 /nfs/dbraw/zinc/31/42/26/274314226.db2.gz PKEVEVDKJRWKHO-VHSXEESVSA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352004698 274314229 /nfs/dbraw/zinc/31/42/29/274314229.db2.gz PKEVEVDKJRWKHO-VHSXEESVSA-N 1 1 284.306 3.493 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCCSCC1 ZINC000273347484 275039958 /nfs/dbraw/zinc/03/99/58/275039958.db2.gz AFMBMQMVQJNYPD-ZZXKWVIFSA-N 1 1 278.377 3.047 20 5 CGBDMO CCOC[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000459708455 276330463 /nfs/dbraw/zinc/33/04/63/276330463.db2.gz JVCMSVDDKXBIOW-INIZCTEOSA-N 1 1 292.379 3.028 20 5 CGBDMO CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000270768951 276351406 /nfs/dbraw/zinc/35/14/06/276351406.db2.gz LCJGRHOXHLUBMZ-STQMWFEESA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCSCC1 ZINC000272370989 281021237 /nfs/dbraw/zinc/02/12/37/281021237.db2.gz AVHXMOAHSAXUHG-LBPRGKRZSA-N 1 1 280.393 3.403 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000530963158 288321364 /nfs/dbraw/zinc/32/13/64/288321364.db2.gz UFNHEKWRQJHNRD-MRXNPFEDSA-N 1 1 283.331 3.327 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000530963158 288321367 /nfs/dbraw/zinc/32/13/67/288321367.db2.gz UFNHEKWRQJHNRD-MRXNPFEDSA-N 1 1 283.331 3.327 20 5 CGBDMO Cc1[nH+]c2cc(Nc3nc(C)ccc3[N+](=O)[O-])ccc2n1C ZINC000531706538 288341320 /nfs/dbraw/zinc/34/13/20/288341320.db2.gz BRFVTMPADNOVMK-UHFFFAOYSA-N 1 1 297.318 3.237 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531725676 288343598 /nfs/dbraw/zinc/34/35/98/288343598.db2.gz MLRJLNHKUQSGNN-MELADBBJSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531725676 288343599 /nfs/dbraw/zinc/34/35/99/288343599.db2.gz MLRJLNHKUQSGNN-MELADBBJSA-N 1 1 291.395 3.037 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279319214 290268146 /nfs/dbraw/zinc/26/81/46/290268146.db2.gz NWGJAMXSCBEDNU-HSMVNMDESA-N 1 1 290.363 3.155 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279319214 290268148 /nfs/dbraw/zinc/26/81/48/290268148.db2.gz NWGJAMXSCBEDNU-HSMVNMDESA-N 1 1 290.363 3.155 20 5 CGBDMO CCC[N@@H+](CC)C[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000569585780 322251286 /nfs/dbraw/zinc/25/12/86/322251286.db2.gz PERZRZWEYDJRCN-UONOGXRCSA-N 1 1 293.411 3.366 20 5 CGBDMO CCCN(CC)C[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000569585780 322251287 /nfs/dbraw/zinc/25/12/87/322251287.db2.gz PERZRZWEYDJRCN-UONOGXRCSA-N 1 1 293.411 3.366 20 5 CGBDMO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1nccs1 ZINC000574414189 322439132 /nfs/dbraw/zinc/43/91/32/322439132.db2.gz LBUZSVRJZBLXJI-JOYOIKCWSA-N 1 1 289.360 3.389 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccncc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180437858 335583045 /nfs/dbraw/zinc/58/30/45/335583045.db2.gz KSHFCVZXJZYDFN-SNVBAGLBSA-N 1 1 291.738 3.494 20 5 CGBDMO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000289864646 524604848 /nfs/dbraw/zinc/60/48/48/524604848.db2.gz QLPNAZWJTFCHDQ-NSHDSACASA-N 1 1 284.306 3.114 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC2(CCCC2)C1 ZINC000158004035 526084596 /nfs/dbraw/zinc/08/45/96/526084596.db2.gz CFZOXXTVVVCAGR-CYBMUJFWSA-N 1 1 290.363 3.301 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOC2(CCCC2)C1 ZINC000158004035 526084600 /nfs/dbraw/zinc/08/46/00/526084600.db2.gz CFZOXXTVVVCAGR-CYBMUJFWSA-N 1 1 290.363 3.301 20 5 CGBDMO CC1(C)CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746672041 572890382 /nfs/dbraw/zinc/89/03/82/572890382.db2.gz FCFWAZZVRVWJSZ-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO CC1(C)CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746672041 572890384 /nfs/dbraw/zinc/89/03/84/572890384.db2.gz FCFWAZZVRVWJSZ-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H]2CC2CCCCC2)c1 ZINC000747077747 572907947 /nfs/dbraw/zinc/90/79/47/572907947.db2.gz YHTQKLPXASTPLJ-AWEZNQCLSA-N 1 1 292.383 3.184 20 5 CGBDMO Cc1c(C[N@@H+](C)Cc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000750606610 573155244 /nfs/dbraw/zinc/15/52/44/573155244.db2.gz OVZCYYFRZQSCIN-UHFFFAOYSA-N 1 1 286.331 3.241 20 5 CGBDMO COC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000307764407 618074924 /nfs/dbraw/zinc/07/49/24/618074924.db2.gz MIHHOPKDTUFSDL-GFCCVEGCSA-N 1 1 298.770 3.249 20 5 CGBDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000307764407 618074928 /nfs/dbraw/zinc/07/49/28/618074928.db2.gz MIHHOPKDTUFSDL-GFCCVEGCSA-N 1 1 298.770 3.249 20 5 CGBDMO CCO[C@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000932970945 618112452 /nfs/dbraw/zinc/11/24/52/618112452.db2.gz YTBBXGHRLZOGIO-OCCSQVGLSA-N 1 1 278.352 3.075 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](C)CC1 ZINC000896583360 620030606 /nfs/dbraw/zinc/03/06/06/620030606.db2.gz FWJPIXQPMAKFPY-ZVHGMHCTSA-N 1 1 290.363 3.109 20 5 CGBDMO CCc1onc(C)c1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000927139749 620599451 /nfs/dbraw/zinc/59/94/51/620599451.db2.gz KJKMWHVQYWDLSJ-JTQLQIEISA-N 1 1 289.335 3.304 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1CCC1 ZINC000230313584 623232793 /nfs/dbraw/zinc/23/27/93/623232793.db2.gz YDEQXFVHEZMJTK-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO C[C@H]1SCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1C ZINC000172406882 623249573 /nfs/dbraw/zinc/24/95/73/623249573.db2.gz PIQNSYPZAKDBJK-NXEZZACHSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@H]1SCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1C ZINC000172406882 623249574 /nfs/dbraw/zinc/24/95/74/623249574.db2.gz PIQNSYPZAKDBJK-NXEZZACHSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@@H]1C[C@@H]1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000111732579 623768708 /nfs/dbraw/zinc/76/87/08/623768708.db2.gz KXRZIRNZVZIWDS-NXEZZACHSA-N 1 1 268.744 3.336 20 5 CGBDMO C[C@@H]1C[C@H]1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000111732583 623769228 /nfs/dbraw/zinc/76/92/28/623769228.db2.gz KXRZIRNZVZIWDS-ZJUUUORDSA-N 1 1 268.744 3.336 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2nccc3c2CCCC3)cc1 ZINC000921562169 625683377 /nfs/dbraw/zinc/68/33/77/625683377.db2.gz IAVYJVLAKRTPNX-UHFFFAOYSA-N 1 1 297.358 3.158 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H](c2ccccn2)C2CC2)cs1 ZINC000922587156 626017340 /nfs/dbraw/zinc/01/73/40/626017340.db2.gz XIMVISRNHZSJIQ-CQSZACIVSA-N 1 1 289.360 3.292 20 5 CGBDMO CC(C)[N@@H+](C)CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000124773313 634505812 /nfs/dbraw/zinc/50/58/12/634505812.db2.gz JWOGTAIVLUZFSR-UHFFFAOYSA-N 1 1 271.748 3.000 20 5 CGBDMO Cc1nn(C[NH+]2CCC(CC(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000760398085 626965980 /nfs/dbraw/zinc/96/59/80/626965980.db2.gz IPGRWVMCDYBYPZ-UHFFFAOYSA-N 1 1 294.399 3.124 20 5 CGBDMO CC[N@@H+](CCC1CC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000760536516 626977391 /nfs/dbraw/zinc/97/73/91/626977391.db2.gz GNZLOSDBLWSFMX-UHFFFAOYSA-N 1 1 288.351 3.024 20 5 CGBDMO C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])CC1CC1 ZINC000768915504 627508546 /nfs/dbraw/zinc/50/85/46/627508546.db2.gz OCPLMESUJXLUNO-UHFFFAOYSA-N 1 1 299.168 3.199 20 5 CGBDMO C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])CC1CC1 ZINC000768915504 627508548 /nfs/dbraw/zinc/50/85/48/627508548.db2.gz OCPLMESUJXLUNO-UHFFFAOYSA-N 1 1 299.168 3.199 20 5 CGBDMO CC(C)[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000769929515 627590201 /nfs/dbraw/zinc/59/02/01/627590201.db2.gz ZVDBOWLUKVUFSS-INIZCTEOSA-N 1 1 292.379 3.139 20 5 CGBDMO Cc1c([C@@H](C)[NH2+]Cc2cccc(F)n2)cccc1[N+](=O)[O-] ZINC000773089594 627854448 /nfs/dbraw/zinc/85/44/48/627854448.db2.gz SBPQYCWTNCBNGS-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO Cc1cc(NCC[N@H+](C)C2CC2)c(Cl)cc1[N+](=O)[O-] ZINC000774525760 628001511 /nfs/dbraw/zinc/00/15/11/628001511.db2.gz QRYGQBQFMDWSLC-UHFFFAOYSA-N 1 1 283.759 3.063 20 5 CGBDMO CC1(C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783574078 628728139 /nfs/dbraw/zinc/72/81/39/628728139.db2.gz RSXBJJIGYRBGCY-UHFFFAOYSA-N 1 1 254.717 3.233 20 5 CGBDMO CC1(C)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783574078 628728143 /nfs/dbraw/zinc/72/81/43/628728143.db2.gz RSXBJJIGYRBGCY-UHFFFAOYSA-N 1 1 254.717 3.233 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792862518 629388104 /nfs/dbraw/zinc/38/81/04/629388104.db2.gz MCOYAOOXZPXFFK-LBPRGKRZSA-N 1 1 293.323 3.268 20 5 CGBDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000792865476 629388180 /nfs/dbraw/zinc/38/81/80/629388180.db2.gz BYTPHBPJYDMACV-GHMZBOCLSA-N 1 1 293.323 3.123 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC1CCC1 ZINC000793352456 629446328 /nfs/dbraw/zinc/44/63/28/629446328.db2.gz NWKFLCPURFHMNJ-UHFFFAOYSA-N 1 1 293.323 3.125 20 5 CGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(F)(F)CC3)c2c1 ZINC000865749389 632877121 /nfs/dbraw/zinc/87/71/21/632877121.db2.gz RRCZYCNHVYZLGR-UHFFFAOYSA-N 1 1 293.273 3.379 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000865752815 632878420 /nfs/dbraw/zinc/87/84/20/632878420.db2.gz DVKWVEUFWGINGU-PSASIEDQSA-N 1 1 294.660 3.289 20 5 CGBDMO C[C@@H]1CCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000122997370 633539417 /nfs/dbraw/zinc/53/94/17/633539417.db2.gz FRVAWDVCEQRWQZ-SECBINFHSA-N 1 1 299.168 3.342 20 5 CGBDMO C[C@@H]1CCC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000122997370 633539420 /nfs/dbraw/zinc/53/94/20/633539420.db2.gz FRVAWDVCEQRWQZ-SECBINFHSA-N 1 1 299.168 3.342 20 5 CGBDMO NC(=[NH+]OCc1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC000871766013 633856388 /nfs/dbraw/zinc/85/63/88/633856388.db2.gz GPJNKVHAXDZLOA-UHFFFAOYSA-N 1 1 283.715 3.047 20 5 CGBDMO Cc1cc(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])ccn1 ZINC000872074821 633998524 /nfs/dbraw/zinc/99/85/24/633998524.db2.gz ILQXALUYZCPSDG-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO C[C@H]([NH2+][C@@H]1C=CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085759 634010525 /nfs/dbraw/zinc/01/05/25/634010525.db2.gz QLHAHTLMFNMQNA-VHSXEESVSA-N 1 1 250.273 3.103 20 5 CGBDMO CC(C)n1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000873184154 634273777 /nfs/dbraw/zinc/27/37/77/634273777.db2.gz DFYSALCEMRGYNV-GFCCVEGCSA-N 1 1 288.351 3.223 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H]1C1CC1 ZINC000877561514 635090632 /nfs/dbraw/zinc/09/06/32/635090632.db2.gz HRJXWKOMZNMJBA-OAHLLOKOSA-N 1 1 260.337 3.196 20 5 CGBDMO CO[C@H]1C[C@@H](C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000878207132 635414446 /nfs/dbraw/zinc/41/44/46/635414446.db2.gz GKASQVYJEQQHQQ-GSJFWJNXSA-N 1 1 298.770 3.105 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879621885 635820236 /nfs/dbraw/zinc/82/02/36/635820236.db2.gz GKONLSYTVGLGMC-GXTWGEPZSA-N 1 1 292.379 3.057 20 5 CGBDMO CCC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000847033151 636319865 /nfs/dbraw/zinc/31/98/65/636319865.db2.gz NXDONFCDCFYWRM-UHFFFAOYSA-N 1 1 254.305 3.354 20 5 CGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(F)CC3)c2c1 ZINC000882804600 636427657 /nfs/dbraw/zinc/42/76/57/636427657.db2.gz PBEBFPZTFRTQLF-UHFFFAOYSA-N 1 1 275.283 3.081 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886013966 637363030 /nfs/dbraw/zinc/36/30/30/637363030.db2.gz ADABAXIWYWOIHC-GFCCVEGCSA-N 1 1 263.341 3.002 20 5 CGBDMO C[C@H]1CCC[C@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886018537 637367116 /nfs/dbraw/zinc/36/71/16/637367116.db2.gz BXUYYDHLURWGFU-RYUDHWBXSA-N 1 1 263.341 3.000 20 5 CGBDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886021365 637368825 /nfs/dbraw/zinc/36/88/25/637368825.db2.gz UXCXRCHJZQFKNY-YRGRVCCFSA-N 1 1 275.352 3.143 20 5 CGBDMO CC(C)C[C@]1(C)CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886222921 637464838 /nfs/dbraw/zinc/46/48/38/637464838.db2.gz DATSWRLAPZBDKQ-HNNXBMFYSA-N 1 1 277.368 3.390 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])s1 ZINC000851927810 637549041 /nfs/dbraw/zinc/54/90/41/637549041.db2.gz FQTAOTSGFDJSJF-QMMMGPOBSA-N 1 1 281.337 3.112 20 5 CGBDMO CC(C)([NH2+]Cc1ccnc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000858169155 638648192 /nfs/dbraw/zinc/64/81/92/638648192.db2.gz XLFWYNYCPPXTIK-UHFFFAOYSA-N 1 1 289.310 3.154 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934776418 639673794 /nfs/dbraw/zinc/67/37/94/639673794.db2.gz DLTRYQFJDVOQEH-JMSVASOKSA-N 1 1 292.404 3.341 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccnc1 ZINC001254550276 806448178 /nfs/dbraw/zinc/44/81/78/806448178.db2.gz HCDRLERZSPJRNW-CYBMUJFWSA-N 1 1 285.347 3.053 20 5 CGBDMO COC[C@@H]1CCCC[N@H+]1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254553093 806449283 /nfs/dbraw/zinc/44/92/83/806449283.db2.gz SCLZJBMQGPCFKH-HIFRSBDPSA-N 1 1 292.379 3.027 20 5 CGBDMO CCCO[C@@H]1CC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254562588 806451782 /nfs/dbraw/zinc/45/17/82/806451782.db2.gz NTUMDYGERPNQNH-DZGCQCFKSA-N 1 1 292.379 3.027 20 5 CGBDMO C[N@@H+](CCc1ccccc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596386 806457171 /nfs/dbraw/zinc/45/71/71/806457171.db2.gz CWQLYMKEVSOYDF-GOSISDBHSA-N 1 1 296.370 3.237 20 5 CGBDMO C[C@@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001254596733 806457388 /nfs/dbraw/zinc/45/73/88/806457388.db2.gz FUJIEQPLWTWQDF-QMTHXVAHSA-N 1 1 296.317 3.039 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602636 806458310 /nfs/dbraw/zinc/45/83/10/806458310.db2.gz HFFYRLIPVXXXDB-ZBFHGGJFSA-N 1 1 274.364 3.327 20 5 CGBDMO CCCC[N@@H+](CC)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598660 806458873 /nfs/dbraw/zinc/45/88/73/806458873.db2.gz LJZJZMKVZGPZAC-OAHLLOKOSA-N 1 1 262.353 3.184 20 5 CGBDMO C[C@H]1CCCCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601369 806458917 /nfs/dbraw/zinc/45/89/17/806458917.db2.gz YTWPFAZDVIDYGZ-LRDDRELGSA-N 1 1 274.364 3.327 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602632 806459111 /nfs/dbraw/zinc/45/91/11/806459111.db2.gz HFFYRLIPVXXXDB-GDBMZVCRSA-N 1 1 274.364 3.327 20 5 CGBDMO CCC(CC)[N@@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603662 806460562 /nfs/dbraw/zinc/46/05/62/806460562.db2.gz PZCIUYBMRTYLQN-OAHLLOKOSA-N 1 1 262.353 3.182 20 5 CGBDMO CCC[N@@H+](CC(C)C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254610023 806461358 /nfs/dbraw/zinc/46/13/58/806461358.db2.gz HQYKNFQHEXMXGB-MRXNPFEDSA-N 1 1 276.380 3.430 20 5 CGBDMO C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000111290735 798983805 /nfs/dbraw/zinc/98/38/05/798983805.db2.gz QSTTUNPEKDPCLW-SNVBAGLBSA-N 1 1 299.321 3.286 20 5 CGBDMO CC(C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000159443074 799074722 /nfs/dbraw/zinc/07/47/22/799074722.db2.gz VXFDZCARZYWNCU-LBPRGKRZSA-N 1 1 266.316 3.212 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](C(F)F)C2)ccc1Cl ZINC000707169245 799974871 /nfs/dbraw/zinc/97/48/71/799974871.db2.gz UXAHBCXWQSUFJI-VIFPVBQESA-N 1 1 290.697 3.335 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](C(F)F)C2)ccc1Cl ZINC000707169245 799974874 /nfs/dbraw/zinc/97/48/74/799974874.db2.gz UXAHBCXWQSUFJI-VIFPVBQESA-N 1 1 290.697 3.335 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccns1 ZINC000715974780 800156682 /nfs/dbraw/zinc/15/66/82/800156682.db2.gz FGRDYVMCJMYLPI-MRVPVSSYSA-N 1 1 281.312 3.041 20 5 CGBDMO Cc1[nH+]c(N)ccc1CNc1cc([N+](=O)[O-])ccc1Cl ZINC001167786442 807251889 /nfs/dbraw/zinc/25/18/89/807251889.db2.gz OPSAUOGWPQKFTA-UHFFFAOYSA-N 1 1 292.726 3.146 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]3CCCC[C@H]32)C1 ZINC001169037727 807555268 /nfs/dbraw/zinc/55/52/68/807555268.db2.gz TWSHPMMZJYIVQW-CBBWQLFWSA-N 1 1 266.385 3.086 20 5 CGBDMO C[N@@H+](CCc1ccc(Cl)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034542 807555491 /nfs/dbraw/zinc/55/54/91/807555491.db2.gz HNSBKBXSDFVRIH-HIFRSBDPSA-N 1 1 296.798 3.260 20 5 CGBDMO C[N@@H+](CCc1ccc(Cl)cc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034543 807555811 /nfs/dbraw/zinc/55/58/11/807555811.db2.gz HNSBKBXSDFVRIH-UKRRQHHQSA-N 1 1 296.798 3.260 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCc3cccc(Cl)c3C2)C1 ZINC001169036506 807556201 /nfs/dbraw/zinc/55/62/01/807556201.db2.gz GFARUBUXSKVDTO-AAEUAGOBSA-N 1 1 294.782 3.144 20 5 CGBDMO COc1ccc([C@H](C)[N@@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169039512 807557045 /nfs/dbraw/zinc/55/70/45/807557045.db2.gz QMFRGAJDGUMRAZ-GZBFAFLISA-N 1 1 292.379 3.133 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]3CCCC[C@@H]32)C1 ZINC001169048210 807559011 /nfs/dbraw/zinc/55/90/11/807559011.db2.gz TWSHPMMZJYIVQW-TUVASFSCSA-N 1 1 266.385 3.086 20 5 CGBDMO C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001171381223 808040128 /nfs/dbraw/zinc/04/01/28/808040128.db2.gz KDEFFIQJDVHYGJ-CHWSQXEVSA-N 1 1 278.352 3.094 20 5 CGBDMO CSCC[N@@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911679 808475828 /nfs/dbraw/zinc/47/58/28/808475828.db2.gz DUERMEKZIIPTEX-CQSZACIVSA-N 1 1 294.420 3.137 20 5 CGBDMO C[C@@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1F ZINC001172909947 808475963 /nfs/dbraw/zinc/47/59/63/808475963.db2.gz VYBBSWDQRHXTKF-XFJVYGCCSA-N 1 1 292.354 3.132 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CCCC1 ZINC001173226380 808541018 /nfs/dbraw/zinc/54/10/18/808541018.db2.gz JGGNXXIUTGDOKF-LBPRGKRZSA-N 1 1 262.353 3.400 20 5 CGBDMO CC[C@@H]1CCC[N@H+]1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173228405 808541718 /nfs/dbraw/zinc/54/17/18/808541718.db2.gz WFQOFCXTNRPPDV-GXTWGEPZSA-N 1 1 262.353 3.400 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCC1CC1 ZINC001173232732 808542744 /nfs/dbraw/zinc/54/27/44/808542744.db2.gz HMFMYZSIORGQCH-GFCCVEGCSA-N 1 1 262.353 3.258 20 5 CGBDMO C[C@H](O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC001223430720 816630136 /nfs/dbraw/zinc/63/01/36/816630136.db2.gz PQNSHFNGDFYPJW-ZIEJDFEHSA-N 1 1 290.363 3.298 20 5 CGBDMO CC(C)[N@H+]1CCC[C@H](OCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224333085 816779959 /nfs/dbraw/zinc/77/99/59/816779959.db2.gz AYKAWNCHTNUDRR-INIZCTEOSA-N 1 1 292.379 3.027 20 5 CGBDMO C[N@H+]1CCC[C@@H](Oc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001225709855 817152610 /nfs/dbraw/zinc/15/26/10/817152610.db2.gz DUTWNLPQWVBEAL-LLVKDONJSA-N 1 1 284.743 3.111 20 5 CGBDMO CC(C)[N@H+]1CCC[C@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001225713587 817153164 /nfs/dbraw/zinc/15/31/64/817153164.db2.gz VGHOSTCBTUOTAL-LBPRGKRZSA-N 1 1 298.770 3.500 20 5 CGBDMO CC(C)[NH+]1CC(Oc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001226509811 817380174 /nfs/dbraw/zinc/38/01/74/817380174.db2.gz UYDOSKAIVOYRRT-UHFFFAOYSA-N 1 1 286.331 3.219 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CCC[N@@H+](C)C1 ZINC001226990199 817527479 /nfs/dbraw/zinc/52/74/79/817527479.db2.gz SIJKXWHBQZWDNJ-JTQLQIEISA-N 1 1 284.743 3.030 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CCC[N@H+](C)C1 ZINC001226990199 817527485 /nfs/dbraw/zinc/52/74/85/817527485.db2.gz SIJKXWHBQZWDNJ-JTQLQIEISA-N 1 1 284.743 3.030 20 5 CGBDMO CC(C)[N@H+]1CC[C@@H](Oc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001228001125 817779267 /nfs/dbraw/zinc/77/92/67/817779267.db2.gz RXFUVFGWLGQAAF-SNVBAGLBSA-N 1 1 284.743 3.110 20 5 CGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001228001275 817779650 /nfs/dbraw/zinc/77/96/50/817779650.db2.gz VKBJOTJJMJFVOH-LLVKDONJSA-N 1 1 298.770 3.500 20 5 CGBDMO CC[C@H](C)[N@@H+](C)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000217391068 928155824 /nfs/dbraw/zinc/15/58/24/928155824.db2.gz KWRFKZBMEZZERT-NSHDSACASA-N 1 1 299.802 3.068 20 5 CGBDMO Cc1ccc(NCCn2cc[nH+]c2C(C)C)c([N+](=O)[O-])c1 ZINC001458617245 937470395 /nfs/dbraw/zinc/47/03/95/937470395.db2.gz JQOSZJSIYXICPJ-UHFFFAOYSA-N 1 1 288.351 3.335 20 5 CGBDMO Cc1cc(F)cc([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001229202497 932114739 /nfs/dbraw/zinc/11/47/39/932114739.db2.gz XFVAOULBIFTKLL-CYBMUJFWSA-N 1 1 296.342 3.294 20 5 CGBDMO C[C@H](Oc1ccc2[nH+]c(N)[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC001230516738 932581693 /nfs/dbraw/zinc/58/16/93/932581693.db2.gz SHYFZMSICSRQGC-VIFPVBQESA-N 1 1 298.302 3.193 20 5 CGBDMO CC[N@H+]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC001307137847 932768236 /nfs/dbraw/zinc/76/82/36/932768236.db2.gz SOCKKMAEFMMWKO-NSHDSACASA-N 1 1 297.786 3.169 20 5 CGBDMO CCCC[C@H](C)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001307821755 933005635 /nfs/dbraw/zinc/00/56/35/933005635.db2.gz RJFILSRHKDLHKW-ZDUSSCGKSA-N 1 1 280.368 3.484 20 5 CGBDMO Cc1ccc(C[NH2+]Cc2noc3ccccc32)cc1[N+](=O)[O-] ZINC001560586395 938264111 /nfs/dbraw/zinc/26/41/11/938264111.db2.gz FRYJVJBXPNDULL-UHFFFAOYSA-N 1 1 297.314 3.334 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593116723 347041204 /nfs/dbraw/zinc/04/12/04/347041204.db2.gz OCQIPPUHGAIARJ-MFKMUULPSA-N 1 1 282.290 3.387 20 5 CGBDMO C[NH2+]Cc1ccccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000593321943 347063206 /nfs/dbraw/zinc/06/32/06/347063206.db2.gz JXFNXPHMPOHNFO-CYBMUJFWSA-N 1 1 299.374 3.165 20 5 CGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000046055470 345033270 /nfs/dbraw/zinc/03/32/70/345033270.db2.gz YLFLGHBIDJFMJB-UHFFFAOYSA-N 1 1 286.331 3.106 20 5 CGBDMO CCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC1CC1 ZINC000051281348 345088335 /nfs/dbraw/zinc/08/83/35/345088335.db2.gz JNQJRMMNFUNWHN-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)C(C)C ZINC000065298750 345271131 /nfs/dbraw/zinc/27/11/31/345271131.db2.gz FKIIGAZJWJTHON-LBPRGKRZSA-N 1 1 280.368 3.470 20 5 CGBDMO COC[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075742246 345521473 /nfs/dbraw/zinc/52/14/73/345521473.db2.gz RJMNWEGTNOZKFU-STQMWFEESA-N 1 1 278.352 3.014 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000075893520 345526426 /nfs/dbraw/zinc/52/64/26/345526426.db2.gz WXQHXSMSWSMVTC-TUAOUCFPSA-N 1 1 280.393 3.482 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000078658214 345617956 /nfs/dbraw/zinc/61/79/56/345617956.db2.gz SNXCNFGAOMKVRX-NSHDSACASA-N 1 1 266.341 3.224 20 5 CGBDMO CC1(C)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083170651 345724464 /nfs/dbraw/zinc/72/44/64/345724464.db2.gz ZUVJYVOONWSLHT-UHFFFAOYSA-N 1 1 275.308 3.110 20 5 CGBDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000091097047 345803717 /nfs/dbraw/zinc/80/37/17/345803717.db2.gz UTXOCTSHTVLIPD-LLVKDONJSA-N 1 1 286.372 3.307 20 5 CGBDMO Cc1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000092649389 345848997 /nfs/dbraw/zinc/84/89/97/345848997.db2.gz SBCIHOQMSTXMAU-GFCCVEGCSA-N 1 1 286.335 3.010 20 5 CGBDMO C[C@H](C1CCC1)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351717454 219186353 /nfs/dbraw/zinc/18/63/53/219186353.db2.gz FJVCPCCRKRDCKB-SECBINFHSA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@H](C1CCC1)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351717454 219186355 /nfs/dbraw/zinc/18/63/55/219186355.db2.gz FJVCPCCRKRDCKB-SECBINFHSA-N 1 1 284.306 3.493 20 5 CGBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000312006142 346475598 /nfs/dbraw/zinc/47/55/98/346475598.db2.gz QYTZKWPFPQDMOX-SNVBAGLBSA-N 1 1 285.775 3.389 20 5 CGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000588977650 346780036 /nfs/dbraw/zinc/78/00/36/346780036.db2.gz FKFJUSXASSNYRX-CQSZACIVSA-N 1 1 290.363 3.096 20 5 CGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccsc1[N+](=O)[O-] ZINC000589598918 346801815 /nfs/dbraw/zinc/80/18/15/346801815.db2.gz GVCMGUFOGSBOIR-SNVBAGLBSA-N 1 1 271.386 3.189 20 5 CGBDMO O=[N+]([O-])c1sccc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594601945 347200394 /nfs/dbraw/zinc/20/03/94/347200394.db2.gz PWXOVTMPYACNHR-JQWIXIFHSA-N 1 1 281.381 3.085 20 5 CGBDMO Cc1noc(C[N@@H+]2CCC[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000595288192 347286715 /nfs/dbraw/zinc/28/67/15/347286715.db2.gz LSJJIWXJCDYVIX-SNVBAGLBSA-N 1 1 293.348 3.290 20 5 CGBDMO Cc1noc(C[N@H+]2CCC[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000595288192 347286718 /nfs/dbraw/zinc/28/67/18/347286718.db2.gz LSJJIWXJCDYVIX-SNVBAGLBSA-N 1 1 293.348 3.290 20 5 CGBDMO Cc1noc(C[NH2+][C@@H](c2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000595292747 347287124 /nfs/dbraw/zinc/28/71/24/347287124.db2.gz VQFJPBFANKCFPB-CQSZACIVSA-N 1 1 289.335 3.378 20 5 CGBDMO C[C@@H]1SCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1C ZINC000595323476 347292024 /nfs/dbraw/zinc/29/20/24/347292024.db2.gz YTRJXGHHRIQEOB-UWVGGRQHSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@@H]1SCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1C ZINC000595323476 347292030 /nfs/dbraw/zinc/29/20/30/347292030.db2.gz YTRJXGHHRIQEOB-UWVGGRQHSA-N 1 1 284.356 3.060 20 5 CGBDMO CC[C@H](C)[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000595598800 347323634 /nfs/dbraw/zinc/32/36/34/347323634.db2.gz GQDGIFLONINWQF-NSHDSACASA-N 1 1 266.341 3.224 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](CCF)C2)cs1 ZINC000595754371 347350218 /nfs/dbraw/zinc/35/02/18/347350218.db2.gz AKUDWCLYQAOSKP-SNVBAGLBSA-N 1 1 272.345 3.228 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](CCF)C2)cs1 ZINC000595754371 347350220 /nfs/dbraw/zinc/35/02/20/347350220.db2.gz AKUDWCLYQAOSKP-SNVBAGLBSA-N 1 1 272.345 3.228 20 5 CGBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1=CCCOC1 ZINC000595751845 347350235 /nfs/dbraw/zinc/35/02/35/347350235.db2.gz IQVDGSGQRMTQCW-UHFFFAOYSA-N 1 1 296.754 3.027 20 5 CGBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1=CCCOC1 ZINC000595751845 347350237 /nfs/dbraw/zinc/35/02/37/347350237.db2.gz IQVDGSGQRMTQCW-UHFFFAOYSA-N 1 1 296.754 3.027 20 5 CGBDMO CC[C@H](C)[N@@H+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595593997 347322851 /nfs/dbraw/zinc/32/28/51/347322851.db2.gz VPTMYQOUHLMTTN-NSHDSACASA-N 1 1 294.351 3.082 20 5 CGBDMO CCC[N@@H+](C)CC(C)(C)NCc1cccc([N+](=O)[O-])c1C ZINC000595874633 347368859 /nfs/dbraw/zinc/36/88/59/347368859.db2.gz WZYPXBTXQBIBKA-UHFFFAOYSA-N 1 1 293.411 3.113 20 5 CGBDMO CCCN(C)CC(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000595874633 347368862 /nfs/dbraw/zinc/36/88/62/347368862.db2.gz WZYPXBTXQBIBKA-UHFFFAOYSA-N 1 1 293.411 3.113 20 5 CGBDMO Cc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])s1 ZINC000596083933 347381234 /nfs/dbraw/zinc/38/12/34/347381234.db2.gz ZBWIPYQIIKIIGX-QWRGUYRKSA-N 1 1 281.381 3.003 20 5 CGBDMO Cc1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])s1 ZINC000596093537 347382355 /nfs/dbraw/zinc/38/23/55/347382355.db2.gz VIAXOKONUVACSC-NSHDSACASA-N 1 1 283.397 3.107 20 5 CGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000597223122 347556499 /nfs/dbraw/zinc/55/64/99/347556499.db2.gz KVAWLJMUSCVFEF-NXEZZACHSA-N 1 1 298.289 3.038 20 5 CGBDMO O=[N+]([O-])c1sccc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599165238 347722816 /nfs/dbraw/zinc/72/28/16/347722816.db2.gz OMWUPADFNAIUMS-LLVKDONJSA-N 1 1 281.381 3.085 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599513276 347749131 /nfs/dbraw/zinc/74/91/31/347749131.db2.gz RQRPSZXOCIOAIZ-PHIMTYICSA-N 1 1 284.306 3.318 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC(F)(F)CC2)cs1 ZINC000599551739 347753591 /nfs/dbraw/zinc/75/35/91/347753591.db2.gz QDHFRILMEMYMRO-UHFFFAOYSA-N 1 1 276.308 3.278 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCC(F)(F)CC2)cs1 ZINC000599551739 347753593 /nfs/dbraw/zinc/75/35/93/347753593.db2.gz QDHFRILMEMYMRO-UHFFFAOYSA-N 1 1 276.308 3.278 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)F ZINC000601287386 347888839 /nfs/dbraw/zinc/88/88/39/347888839.db2.gz IDRBCSWXXZVRNS-SECBINFHSA-N 1 1 270.304 3.002 20 5 CGBDMO Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])o1 ZINC000601304865 347890593 /nfs/dbraw/zinc/89/05/93/347890593.db2.gz SLRCKMJVAHIJNQ-CQSZACIVSA-N 1 1 272.304 3.273 20 5 CGBDMO C[C@H](F)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000351893957 219241553 /nfs/dbraw/zinc/24/15/53/219241553.db2.gz WAADOMUKAHLVJX-NSHDSACASA-N 1 1 266.316 3.307 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(CCF)CC1 ZINC000602951599 348047010 /nfs/dbraw/zinc/04/70/10/348047010.db2.gz UWOHRMWXSKJCEL-UHFFFAOYSA-N 1 1 284.306 3.306 20 5 CGBDMO CC[C@@]1(O)CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000602983406 348052504 /nfs/dbraw/zinc/05/25/04/348052504.db2.gz JRVWIAQQHGRFCD-CZUORRHYSA-N 1 1 292.379 3.201 20 5 CGBDMO CC1(F)CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000602993300 348053085 /nfs/dbraw/zinc/05/30/85/348053085.db2.gz WYLTXYXFCHQWRV-UHFFFAOYSA-N 1 1 270.279 3.058 20 5 CGBDMO CC1(F)CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000602992924 348053186 /nfs/dbraw/zinc/05/31/86/348053186.db2.gz JZMGEMUKOKRHJZ-UHFFFAOYSA-N 1 1 270.279 3.058 20 5 CGBDMO C[C@@H](CNc1ccsc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000604433517 348120198 /nfs/dbraw/zinc/12/01/98/348120198.db2.gz TYHAPJAHODACAI-MNOVXSKESA-N 1 1 283.397 3.189 20 5 CGBDMO Cc1c(C[N@H+]2CCC[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000609133544 348337123 /nfs/dbraw/zinc/33/71/23/348337123.db2.gz FZZBWAXOHHXPDK-HNNXBMFYSA-N 1 1 260.337 3.278 20 5 CGBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000610133420 348363923 /nfs/dbraw/zinc/36/39/23/348363923.db2.gz OAFKJHUMZQHIOH-ZJUUUORDSA-N 1 1 268.744 3.479 20 5 CGBDMO CO[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000611941927 348482340 /nfs/dbraw/zinc/48/23/40/348482340.db2.gz FCGUOEMCDVHKLB-STQMWFEESA-N 1 1 278.352 3.157 20 5 CGBDMO CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCC1 ZINC000352024057 219293421 /nfs/dbraw/zinc/29/34/21/219293421.db2.gz CRFDATREMRTZDQ-UHFFFAOYSA-N 1 1 270.279 3.247 20 5 CGBDMO CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCC1 ZINC000352024057 219293423 /nfs/dbraw/zinc/29/34/23/219293423.db2.gz CRFDATREMRTZDQ-UHFFFAOYSA-N 1 1 270.279 3.247 20 5 CGBDMO C[C@@H]1C[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000122830236 187054302 /nfs/dbraw/zinc/05/43/02/187054302.db2.gz RAJLZVCDTBNNJV-KOLCDFICSA-N 1 1 295.770 3.285 20 5 CGBDMO Cc1ccoc1C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000292073550 198152731 /nfs/dbraw/zinc/15/27/31/198152731.db2.gz CRVNXLLSCUVGDD-UHFFFAOYSA-N 1 1 290.319 3.007 20 5 CGBDMO COc1cc(C[N@H+]2CCCC23CCC3)c([N+](=O)[O-])cc1F ZINC000365637458 234119220 /nfs/dbraw/zinc/11/92/20/234119220.db2.gz KLQJEXDXARSPPA-UHFFFAOYSA-N 1 1 294.326 3.261 20 5 CGBDMO Cc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000156564773 188269383 /nfs/dbraw/zinc/26/93/83/188269383.db2.gz UMUXGTWZPATWJF-IPYPFGDCSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000156564773 188269385 /nfs/dbraw/zinc/26/93/85/188269385.db2.gz UMUXGTWZPATWJF-IPYPFGDCSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000292704538 198382957 /nfs/dbraw/zinc/38/29/57/198382957.db2.gz CSQLTZYKZCGCRG-KGLIPLIRSA-N 1 1 296.317 3.380 20 5 CGBDMO Cc1ccc(NCC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000413431570 235277840 /nfs/dbraw/zinc/27/78/40/235277840.db2.gz BCJVDYRSEIEVDW-CYBMUJFWSA-N 1 1 277.368 3.047 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccn(C)n2)cc1[N+](=O)[O-] ZINC000414099398 235335534 /nfs/dbraw/zinc/33/55/34/235335534.db2.gz UMWIDKQNCIMJHW-NWDGAFQWSA-N 1 1 288.351 3.049 20 5 CGBDMO Cc1cnccc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000294524883 199073131 /nfs/dbraw/zinc/07/31/31/199073131.db2.gz GFEFLRBFOJTFPU-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1cnccc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000294524883 199073132 /nfs/dbraw/zinc/07/31/32/199073132.db2.gz GFEFLRBFOJTFPU-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO CCC[N@H+]1CC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301773975 201188927 /nfs/dbraw/zinc/18/89/27/201188927.db2.gz GQJQADVPMSSVCH-SNVBAGLBSA-N 1 1 299.321 3.017 20 5 CGBDMO C[C@]1(F)CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000449349897 239336774 /nfs/dbraw/zinc/33/67/74/239336774.db2.gz KUCXFRFYTAZIND-SZTZYQKNSA-N 1 1 278.327 3.432 20 5 CGBDMO C[C@]1(F)CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000449349897 239336777 /nfs/dbraw/zinc/33/67/77/239336777.db2.gz KUCXFRFYTAZIND-SZTZYQKNSA-N 1 1 278.327 3.432 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451122757 240222768 /nfs/dbraw/zinc/22/27/68/240222768.db2.gz SPXBIWBMJXQAQH-BXUZGUMPSA-N 1 1 266.316 3.480 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@](C)(F)C1 ZINC000451122757 240222771 /nfs/dbraw/zinc/22/27/71/240222771.db2.gz SPXBIWBMJXQAQH-BXUZGUMPSA-N 1 1 266.316 3.480 20 5 CGBDMO CSCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544398 240322955 /nfs/dbraw/zinc/32/29/55/240322955.db2.gz FFFMMFKGMWQCRZ-CYBMUJFWSA-N 1 1 280.393 3.137 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451899571 240378457 /nfs/dbraw/zinc/37/84/57/240378457.db2.gz IIRYOLQAJSDCNK-BBRMVZONSA-N 1 1 290.363 3.158 20 5 CGBDMO CC(C)(C)C1C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000459645710 242163026 /nfs/dbraw/zinc/16/30/26/242163026.db2.gz REYZRKQECFZLDM-UHFFFAOYSA-N 1 1 266.316 3.212 20 5 CGBDMO CCC1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000463491228 242399421 /nfs/dbraw/zinc/39/94/21/242399421.db2.gz OFFIZXUQNVHJMR-UHFFFAOYSA-N 1 1 296.342 3.365 20 5 CGBDMO CC1=C(C)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000483374989 243279552 /nfs/dbraw/zinc/27/95/52/243279552.db2.gz HVSXQBYTBDCNJT-UHFFFAOYSA-N 1 1 276.336 3.016 20 5 CGBDMO O=[N+]([O-])c1ccc(CNc2[nH]c3ccccc3[nH+]2)cc1 ZINC000037756989 369104599 /nfs/dbraw/zinc/10/45/99/369104599.db2.gz LGNUFBHFUVYSQW-UHFFFAOYSA-N 1 1 268.276 3.083 20 5 CGBDMO CC[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493378025 244151272 /nfs/dbraw/zinc/15/12/72/244151272.db2.gz AERDJWYMHICWCK-SNVBAGLBSA-N 1 1 268.744 3.480 20 5 CGBDMO C[N@@H+](Cc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000042366080 369217658 /nfs/dbraw/zinc/21/76/58/369217658.db2.gz POJXZHHJLPOCRO-UHFFFAOYSA-N 1 1 274.295 3.366 20 5 CGBDMO CCCc1csc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000494341435 244281012 /nfs/dbraw/zinc/28/10/12/244281012.db2.gz YIWADPIWHXBASY-UHFFFAOYSA-N 1 1 291.376 3.294 20 5 CGBDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000057622877 369544121 /nfs/dbraw/zinc/54/41/21/369544121.db2.gz AGGZIHANKGPALE-MRXNPFEDSA-N 1 1 285.347 3.270 20 5 CGBDMO Cc1c(C[N@H+]([C@H](C)CO)C2CCCC2)cccc1[N+](=O)[O-] ZINC000276440889 193331608 /nfs/dbraw/zinc/33/16/08/193331608.db2.gz LDVCTQFGDNIKDT-GFCCVEGCSA-N 1 1 292.379 3.029 20 5 CGBDMO Cc1[nH+]c2cc(Nc3ncc(C)cc3[N+](=O)[O-])ccc2n1C ZINC000078674706 369952995 /nfs/dbraw/zinc/95/29/95/369952995.db2.gz JHEQAXYOUAAWFW-UHFFFAOYSA-N 1 1 297.318 3.237 20 5 CGBDMO COc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000076150407 369933004 /nfs/dbraw/zinc/93/30/04/369933004.db2.gz OZGUUTQJKOXKDP-NWDGAFQWSA-N 1 1 278.352 3.224 20 5 CGBDMO Cc1csc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000116381885 370559932 /nfs/dbraw/zinc/55/99/32/370559932.db2.gz LALWLJNXHONFPO-UHFFFAOYSA-N 1 1 291.376 3.385 20 5 CGBDMO O=[N+]([O-])c1ccc(Cn2c[nH+]c3c2CCCC3)c(Cl)c1 ZINC000130441019 371033242 /nfs/dbraw/zinc/03/32/42/371033242.db2.gz YMMOBUZJONFELZ-UHFFFAOYSA-N 1 1 291.738 3.372 20 5 CGBDMO CC(C)CCOCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153392959 371764734 /nfs/dbraw/zinc/76/47/34/371764734.db2.gz BHVBJZGSHKYVLM-UHFFFAOYSA-N 1 1 292.379 3.016 20 5 CGBDMO CC(C)CCOCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153392959 371764740 /nfs/dbraw/zinc/76/47/40/371764740.db2.gz BHVBJZGSHKYVLM-UHFFFAOYSA-N 1 1 292.379 3.016 20 5 CGBDMO O=[N+]([O-])c1ccc(CNc2cc(C3CC3)cc[nH+]2)cc1 ZINC000289810105 371828126 /nfs/dbraw/zinc/82/81/26/371828126.db2.gz MXLXAWXHBQQHNS-UHFFFAOYSA-N 1 1 269.304 3.479 20 5 CGBDMO Cc1ncccc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154296023 371835353 /nfs/dbraw/zinc/83/53/53/371835353.db2.gz TUWQPTPBOSKNSQ-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1ncccc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154296023 371835356 /nfs/dbraw/zinc/83/53/56/371835356.db2.gz TUWQPTPBOSKNSQ-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO COc1ccc(C[N@H+]2CCC[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000344104128 217051852 /nfs/dbraw/zinc/05/18/52/217051852.db2.gz ORABHDXIRHTJIL-AWEZNQCLSA-N 1 1 290.363 3.225 20 5 CGBDMO Cc1ccoc1C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000429389568 372360669 /nfs/dbraw/zinc/36/06/69/372360669.db2.gz VOFMRDQCSQIHNB-UHFFFAOYSA-N 1 1 290.319 3.007 20 5 CGBDMO Cc1nocc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000293560432 372411169 /nfs/dbraw/zinc/41/11/69/372411169.db2.gz MBLKSADJYAWSLX-SNVBAGLBSA-N 1 1 275.308 3.050 20 5 CGBDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000294189491 372607743 /nfs/dbraw/zinc/60/77/43/372607743.db2.gz KWUNSHCZURSPSG-AWEZNQCLSA-N 1 1 298.770 3.107 20 5 CGBDMO Cc1ccc(CCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000353441754 220085321 /nfs/dbraw/zinc/08/53/21/220085321.db2.gz UCCJYDDXVBGOMZ-UHFFFAOYSA-N 1 1 299.374 3.363 20 5 CGBDMO CC[C@]1(C)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444653218 373222240 /nfs/dbraw/zinc/22/22/40/373222240.db2.gz VLFJOMNSCAAQQJ-OAHLLOKOSA-N 1 1 288.351 3.093 20 5 CGBDMO CC[C@]1(C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444653218 373222248 /nfs/dbraw/zinc/22/22/48/373222248.db2.gz VLFJOMNSCAAQQJ-OAHLLOKOSA-N 1 1 288.351 3.093 20 5 CGBDMO CS[C@@H]1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000449445157 373722440 /nfs/dbraw/zinc/72/24/40/373722440.db2.gz HEHMEBHCMKBTTN-LDCOFTPGSA-N 1 1 292.404 3.435 20 5 CGBDMO CC[N@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000301556093 373784801 /nfs/dbraw/zinc/78/48/01/373784801.db2.gz WPKACQLIKXHAML-UHFFFAOYSA-N 1 1 297.786 3.089 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000182934496 374347076 /nfs/dbraw/zinc/34/70/76/374347076.db2.gz GQBMUVGDCQQLKB-XEZPLFJOSA-N 1 1 292.379 3.057 20 5 CGBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000331308306 374520143 /nfs/dbraw/zinc/52/01/43/374520143.db2.gz XACLYAQTLFBELD-INIZCTEOSA-N 1 1 292.379 3.030 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCCC2(CC2)C1 ZINC000186610941 374886572 /nfs/dbraw/zinc/88/65/72/374886572.db2.gz DIICKPHNYOIORG-ZZXKWVIFSA-N 1 1 272.348 3.484 20 5 CGBDMO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000472278009 375016187 /nfs/dbraw/zinc/01/61/87/375016187.db2.gz PLTLHNLZFZQTTD-GFCCVEGCSA-N 1 1 278.352 3.094 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CC[C@H]2CCCO2)C2CC2)c1 ZINC000189577673 375414505 /nfs/dbraw/zinc/41/45/05/375414505.db2.gz OHKYKUABYGWWBD-MRXNPFEDSA-N 1 1 290.363 3.128 20 5 CGBDMO COC[C@@H](C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000189667932 375432028 /nfs/dbraw/zinc/43/20/28/375432028.db2.gz DWOLSCPHLXSGQO-ZDUSSCGKSA-N 1 1 280.368 3.088 20 5 CGBDMO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC(C)C ZINC000507121775 375677223 /nfs/dbraw/zinc/67/72/23/375677223.db2.gz QBKURDOQIAPJGY-UHFFFAOYSA-N 1 1 250.342 3.381 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](c3ccncc3)C2)c1 ZINC000289479633 197367565 /nfs/dbraw/zinc/36/75/65/197367565.db2.gz ZQWLZACKJGHLMJ-MRXNPFEDSA-N 1 1 297.358 3.369 20 5 CGBDMO CC(C)C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000537628497 376185800 /nfs/dbraw/zinc/18/58/00/376185800.db2.gz NSFLGRGSHNWBBY-CYBMUJFWSA-N 1 1 262.353 3.463 20 5 CGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCCCO1 ZINC000338363810 376351231 /nfs/dbraw/zinc/35/12/31/376351231.db2.gz YXEAOMFLFWTUHL-INIZCTEOSA-N 1 1 292.379 3.028 20 5 CGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000540056573 376356264 /nfs/dbraw/zinc/35/62/64/376356264.db2.gz SZJXOVYFJRTQLM-CHWSQXEVSA-N 1 1 278.352 3.237 20 5 CGBDMO CC[C@H](C)[N@@H+](C)CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000228765473 376446894 /nfs/dbraw/zinc/44/68/94/376446894.db2.gz SHZFLTJNGYPFAC-LBPRGKRZSA-N 1 1 265.357 3.045 20 5 CGBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000090794940 249030050 /nfs/dbraw/zinc/03/00/50/249030050.db2.gz ZGLODDDZDZXXCE-NXEZZACHSA-N 1 1 283.759 3.143 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCc1nccs1 ZINC000269900836 378279241 /nfs/dbraw/zinc/27/92/41/378279241.db2.gz XHANLGJTTSVMEI-NSHDSACASA-N 1 1 291.376 3.287 20 5 CGBDMO CC[N@@H+](C[C@H]1CCCO1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000270743616 378394924 /nfs/dbraw/zinc/39/49/24/378394924.db2.gz RCXYYKYRJKPDSO-IUODEOHRSA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1ccoc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000271087158 378450174 /nfs/dbraw/zinc/45/01/74/378450174.db2.gz UJJZXKMDGRVBCN-UHFFFAOYSA-N 1 1 260.293 3.128 20 5 CGBDMO Cc1ccoc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000271087158 378450180 /nfs/dbraw/zinc/45/01/80/378450180.db2.gz UJJZXKMDGRVBCN-UHFFFAOYSA-N 1 1 260.293 3.128 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000272477221 378646311 /nfs/dbraw/zinc/64/63/11/378646311.db2.gz GEPBXJSBOUODIY-XPKDYRNWSA-N 1 1 292.379 3.139 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000346961263 218070369 /nfs/dbraw/zinc/07/03/69/218070369.db2.gz FSGZGPPTAGEKAD-MRXNPFEDSA-N 1 1 283.331 3.327 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000346961263 218070371 /nfs/dbraw/zinc/07/03/71/218070371.db2.gz FSGZGPPTAGEKAD-MRXNPFEDSA-N 1 1 283.331 3.327 20 5 CGBDMO Cc1nc(F)ccc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000278314139 379343735 /nfs/dbraw/zinc/34/37/35/379343735.db2.gz BAHJDDWJXXYQEZ-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000374007266 379362961 /nfs/dbraw/zinc/36/29/61/379362961.db2.gz DOPOQVDMQASGOD-ZDUSSCGKSA-N 1 1 272.304 3.177 20 5 CGBDMO CC(C)OCCC[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266723568 190277315 /nfs/dbraw/zinc/27/73/15/190277315.db2.gz IHPVUSYGDOMPOD-ZDUSSCGKSA-N 1 1 280.368 3.403 20 5 CGBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000267999439 190368515 /nfs/dbraw/zinc/36/85/15/190368515.db2.gz ZYAUAWPBHUNGEP-UHFFFAOYSA-N 1 1 285.347 3.054 20 5 CGBDMO Cc1[nH+]ccn1CCSCc1ccc([N+](=O)[O-])cc1 ZINC000268352453 190397419 /nfs/dbraw/zinc/39/74/19/190397419.db2.gz AGTACFFWPOXAGC-UHFFFAOYSA-N 1 1 277.349 3.033 20 5 CGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc[nH]1 ZINC000354035102 380292017 /nfs/dbraw/zinc/29/20/17/380292017.db2.gz VXLDMVWDSCNSIE-ALCCZGGFSA-N 1 1 271.320 3.068 20 5 CGBDMO CCC(N)(CC)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414804982 380417779 /nfs/dbraw/zinc/41/77/79/380417779.db2.gz FXSAYGKWCZKRPT-CYBMUJFWSA-N 1 1 293.411 3.023 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]32)c(F)c1 ZINC000355114279 380580131 /nfs/dbraw/zinc/58/01/31/380580131.db2.gz UKKXXAXDYUZHLU-IINYFYTJSA-N 1 1 264.300 3.108 20 5 CGBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000357237273 381077682 /nfs/dbraw/zinc/07/76/82/381077682.db2.gz KVKTVZHLJXMTNE-UHFFFAOYSA-N 1 1 265.357 3.045 20 5 CGBDMO COc1cc(C[N@H+]2C[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000362313279 381939664 /nfs/dbraw/zinc/93/96/64/381939664.db2.gz CELWJQINFZHOLA-QWRGUYRKSA-N 1 1 296.342 3.363 20 5 CGBDMO CO[C@@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000363672654 382245522 /nfs/dbraw/zinc/24/55/22/382245522.db2.gz KGEBBZHUWDPQNR-UKRRQHHQSA-N 1 1 292.379 3.465 20 5 CGBDMO CO[C@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000363672655 382245837 /nfs/dbraw/zinc/24/58/37/382245837.db2.gz KGEBBZHUWDPQNR-ZFWWWQNUSA-N 1 1 292.379 3.465 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000441435695 285110513 /nfs/dbraw/zinc/11/05/13/285110513.db2.gz FILQDNJPZQTCEC-ZBFHGGJFSA-N 1 1 274.364 3.402 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000491894919 285154418 /nfs/dbraw/zinc/15/44/18/285154418.db2.gz RVCQHWCMRAWACV-BXKDBHETSA-N 1 1 266.728 3.233 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000491894919 285154421 /nfs/dbraw/zinc/15/44/21/285154421.db2.gz RVCQHWCMRAWACV-BXKDBHETSA-N 1 1 266.728 3.233 20 5 CGBDMO CSCCC[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000281220843 195154071 /nfs/dbraw/zinc/15/40/71/195154071.db2.gz KHWCTQRIPYRIHR-VMPITWQZSA-N 1 1 280.393 3.293 20 5 CGBDMO CSCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000281306502 195189501 /nfs/dbraw/zinc/18/95/01/195189501.db2.gz QCARGJKCSXSUBA-UHFFFAOYSA-N 1 1 268.382 3.088 20 5 CGBDMO CC[C@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000281360040 195210114 /nfs/dbraw/zinc/21/01/14/195210114.db2.gz LDLZFZKBUKKZPA-OLZOCXBDSA-N 1 1 278.352 3.157 20 5 CGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCCOC1 ZINC000107064454 392314993 /nfs/dbraw/zinc/31/49/93/392314993.db2.gz DANANHDJTIDHRJ-LLVKDONJSA-N 1 1 298.770 3.107 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000302823281 392621253 /nfs/dbraw/zinc/62/12/53/392621253.db2.gz LDYCOEGUAIQEGO-PHIMTYICSA-N 1 1 297.786 3.085 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000302823281 392621257 /nfs/dbraw/zinc/62/12/57/392621257.db2.gz LDYCOEGUAIQEGO-PHIMTYICSA-N 1 1 297.786 3.085 20 5 CGBDMO C[N@H+]1CCC[C@@H]1CCSc1ccc([N+](=O)[O-])cc1F ZINC000193504051 392879688 /nfs/dbraw/zinc/87/96/88/392879688.db2.gz CEPLOYQGJDJQAX-SNVBAGLBSA-N 1 1 284.356 3.310 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(F)C1 ZINC000347357136 393102726 /nfs/dbraw/zinc/10/27/26/393102726.db2.gz ROKGENOIBGENOO-MFKMUULPSA-N 1 1 252.289 3.090 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(F)C1 ZINC000347357136 393102729 /nfs/dbraw/zinc/10/27/29/393102729.db2.gz ROKGENOIBGENOO-MFKMUULPSA-N 1 1 252.289 3.090 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1ccc[nH]1 ZINC000470175191 393228805 /nfs/dbraw/zinc/22/88/05/393228805.db2.gz PMYHADJRYRWSHT-LCYFTJDESA-N 1 1 285.347 3.458 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1ccc[nH]1 ZINC000470175201 393228853 /nfs/dbraw/zinc/22/88/53/393228853.db2.gz PMYHADJRYRWSHT-UKTHLTGXSA-N 1 1 285.347 3.458 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000271597905 393253413 /nfs/dbraw/zinc/25/34/13/393253413.db2.gz HRPKLKUNJNXJCG-LBPRGKRZSA-N 1 1 286.335 3.010 20 5 CGBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000471560941 393284145 /nfs/dbraw/zinc/28/41/45/393284145.db2.gz UJVYKFGJOUEAFV-NOZJJQNGSA-N 1 1 295.770 3.143 20 5 CGBDMO Cc1cccc2c1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000429557454 393480042 /nfs/dbraw/zinc/48/00/42/393480042.db2.gz HDMMNZVPDTXEEI-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO CCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000488175807 393468372 /nfs/dbraw/zinc/46/83/72/393468372.db2.gz JBXURKPKHBVLJY-UHFFFAOYSA-N 1 1 285.775 3.392 20 5 CGBDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000360950181 393622628 /nfs/dbraw/zinc/62/26/28/393622628.db2.gz YZOYORYCPOGXSE-VIFPVBQESA-N 1 1 295.726 3.119 20 5 CGBDMO CCN(CC)C[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000361154852 393687367 /nfs/dbraw/zinc/68/73/67/393687367.db2.gz QZGURYBRNXNAPO-GXTWGEPZSA-N 1 1 293.411 3.284 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275501070 292296455 /nfs/dbraw/zinc/29/64/55/292296455.db2.gz QZUIFFQEIFYEKB-WFASDCNBSA-N 1 1 292.379 3.057 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCSC(C)(C)C1 ZINC000083418782 260349656 /nfs/dbraw/zinc/34/96/56/260349656.db2.gz QQMXOHUGBCXWTE-NSHDSACASA-N 1 1 280.393 3.483 20 5 CGBDMO CO[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C ZINC000189362798 270071418 /nfs/dbraw/zinc/07/14/18/270071418.db2.gz LHALNULAHODFQC-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C ZINC000189362798 270071419 /nfs/dbraw/zinc/07/14/19/270071419.db2.gz LHALNULAHODFQC-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CC=CCC1)CC2 ZINC000353607794 275037635 /nfs/dbraw/zinc/03/76/35/275037635.db2.gz BEOJDUNNPXUUST-ZDUSSCGKSA-N 1 1 272.348 3.309 20 5 CGBDMO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000106866796 276002747 /nfs/dbraw/zinc/00/27/47/276002747.db2.gz MMQIJGBBUARGBJ-HNNXBMFYSA-N 1 1 292.379 3.376 20 5 CGBDMO C[C@@H](NCC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000040767716 278347099 /nfs/dbraw/zinc/34/70/99/278347099.db2.gz XBGJVGQWWIAVAP-CQSZACIVSA-N 1 1 291.395 3.121 20 5 CGBDMO CC[C@H](C)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554833540 289312765 /nfs/dbraw/zinc/31/27/65/289312765.db2.gz NNVCYNREUZORBQ-LBPRGKRZSA-N 1 1 250.342 3.115 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3c(n2)CCCC3)cc1 ZINC000566076811 322102996 /nfs/dbraw/zinc/10/29/96/322102996.db2.gz XXLVKEANICAJAV-UHFFFAOYSA-N 1 1 297.358 3.158 20 5 CGBDMO Cn1c[nH+]cc1CCCSc1cccc([N+](=O)[O-])c1 ZINC000569021403 322232027 /nfs/dbraw/zinc/23/20/27/322232027.db2.gz YABNTYWSSXZNAD-UHFFFAOYSA-N 1 1 277.349 3.053 20 5 CGBDMO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000569655202 322253203 /nfs/dbraw/zinc/25/32/03/322253203.db2.gz LAVLWWABRBVPOD-LLVKDONJSA-N 1 1 284.306 3.380 20 5 CGBDMO Cc1ccc(C[N@H+]2CCC(F)(F)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000569655202 322253205 /nfs/dbraw/zinc/25/32/05/322253205.db2.gz LAVLWWABRBVPOD-LLVKDONJSA-N 1 1 284.306 3.380 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000570089227 322264565 /nfs/dbraw/zinc/26/45/65/322264565.db2.gz ZBBMRPAJQMKYNC-KBPBESRZSA-N 1 1 290.363 3.368 20 5 CGBDMO CCCC[N@@H+](C)C[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000571453734 322299122 /nfs/dbraw/zinc/29/91/22/322299122.db2.gz APFWCFVRWCRVER-ZIAGYGMSSA-N 1 1 293.411 3.366 20 5 CGBDMO CCCCN(C)C[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000571453734 322299124 /nfs/dbraw/zinc/29/91/24/322299124.db2.gz APFWCFVRWCRVER-ZIAGYGMSSA-N 1 1 293.411 3.366 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[C@H]1C ZINC000571947143 322312958 /nfs/dbraw/zinc/31/29/58/322312958.db2.gz QCCPDKDPAMVLBV-OCCSQVGLSA-N 1 1 262.353 3.461 20 5 CGBDMO CCCC[N@@H+](C)C[C@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000583403506 327346287 /nfs/dbraw/zinc/34/62/87/327346287.db2.gz DIMGZGUMTKLOGW-AWEZNQCLSA-N 1 1 293.411 3.113 20 5 CGBDMO CCCCN(C)C[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000583403506 327346288 /nfs/dbraw/zinc/34/62/88/327346288.db2.gz DIMGZGUMTKLOGW-AWEZNQCLSA-N 1 1 293.411 3.113 20 5 CGBDMO Cc1c(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000581368001 336062304 /nfs/dbraw/zinc/06/23/04/336062304.db2.gz FSBOPOLAAMMMMA-GFCCVEGCSA-N 1 1 290.363 3.047 20 5 CGBDMO Cc1c(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000581368001 336062305 /nfs/dbraw/zinc/06/23/05/336062305.db2.gz FSBOPOLAAMMMMA-GFCCVEGCSA-N 1 1 290.363 3.047 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000426476339 533821685 /nfs/dbraw/zinc/82/16/85/533821685.db2.gz ROTYZYYIHKMXFP-GWCFXTLKSA-N 1 1 294.326 3.117 20 5 CGBDMO C[C@@H](C[N@H+](C)Cc1csc([N+](=O)[O-])c1)c1nccs1 ZINC000183976098 524576373 /nfs/dbraw/zinc/57/63/73/524576373.db2.gz BSNXJTKGJVAZGW-VIFPVBQESA-N 1 1 297.405 3.348 20 5 CGBDMO C[C@@H](C[N@@H+](C)Cc1csc([N+](=O)[O-])c1)c1nccs1 ZINC000183976098 524576383 /nfs/dbraw/zinc/57/63/83/524576383.db2.gz BSNXJTKGJVAZGW-VIFPVBQESA-N 1 1 297.405 3.348 20 5 CGBDMO CSC[C@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255673277 525714140 /nfs/dbraw/zinc/71/41/40/525714140.db2.gz RPXWLXADMUMERW-HJHHMULASA-N 1 1 292.404 3.435 20 5 CGBDMO CCC[C@@H](NCC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423363934 529009397 /nfs/dbraw/zinc/00/93/97/529009397.db2.gz OISVWBUBXNGKLQ-GDBMZVCRSA-N 1 1 291.395 3.168 20 5 CGBDMO CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451540653 536750286 /nfs/dbraw/zinc/75/02/86/536750286.db2.gz GUPMSIVNIWWQMT-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451540653 536750293 /nfs/dbraw/zinc/75/02/93/536750293.db2.gz GUPMSIVNIWWQMT-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891442666 618211471 /nfs/dbraw/zinc/21/14/71/618211471.db2.gz AGHRIFHLHNJKNP-GFCCVEGCSA-N 1 1 294.351 3.074 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](CF)C1 ZINC000895572063 619851558 /nfs/dbraw/zinc/85/15/58/619851558.db2.gz DYZHANRUUJEDOZ-VDBIKXPHSA-N 1 1 278.327 3.290 20 5 CGBDMO Cc1ccc(C[NH+]2CC(Cc3ccoc3)C2)cc1[N+](=O)[O-] ZINC000898161499 620484282 /nfs/dbraw/zinc/48/42/82/620484282.db2.gz CYRHUCAXLIHDIC-UHFFFAOYSA-N 1 1 286.331 3.171 20 5 CGBDMO CC(C)[N@@H+](C)CCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000226428547 622967434 /nfs/dbraw/zinc/96/74/34/622967434.db2.gz QFUIDXXCHZZSFK-UHFFFAOYSA-N 1 1 285.775 3.390 20 5 CGBDMO CC(C)(/C=C/Cl)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000922648396 626025299 /nfs/dbraw/zinc/02/52/99/626025299.db2.gz HXCQCYQPEYIIFP-ONEGZZNKSA-N 1 1 260.746 3.277 20 5 CGBDMO CC[C@@]1(C)CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000758399027 626841937 /nfs/dbraw/zinc/84/19/37/626841937.db2.gz UZZCIDZHPOUJHJ-HNNXBMFYSA-N 1 1 288.351 3.024 20 5 CGBDMO CCO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761509938 627046872 /nfs/dbraw/zinc/04/68/72/627046872.db2.gz CXEFNZFAJXVZNB-GFCCVEGCSA-N 1 1 298.770 3.249 20 5 CGBDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761509938 627046874 /nfs/dbraw/zinc/04/68/74/627046874.db2.gz CXEFNZFAJXVZNB-GFCCVEGCSA-N 1 1 298.770 3.249 20 5 CGBDMO NC(=[NH+]OCc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000782318462 628638092 /nfs/dbraw/zinc/63/80/92/628638092.db2.gz DXJHGIQKLVGKKG-UHFFFAOYSA-N 1 1 297.742 3.437 20 5 CGBDMO COC[C@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000824583822 633262072 /nfs/dbraw/zinc/26/20/72/633262072.db2.gz RLEYUYFZBHLSMA-CQSZACIVSA-N 1 1 298.770 3.107 20 5 CGBDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000824583821 633262288 /nfs/dbraw/zinc/26/22/88/633262288.db2.gz RLEYUYFZBHLSMA-AWEZNQCLSA-N 1 1 298.770 3.107 20 5 CGBDMO Cc1ncsc1C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872033774 633953485 /nfs/dbraw/zinc/95/34/85/633953485.db2.gz JIJMJIAPOPPDCT-VIFPVBQESA-N 1 1 295.339 3.350 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000877617190 635115157 /nfs/dbraw/zinc/11/51/57/635115157.db2.gz SLERUMKBCOJCHQ-AWEZNQCLSA-N 1 1 296.317 3.443 20 5 CGBDMO Cc1ccc(C[N@H+]([C@H](C)CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000878477401 635522049 /nfs/dbraw/zinc/52/20/49/635522049.db2.gz ZPAWJTNXEJBLHL-CYBMUJFWSA-N 1 1 292.379 3.029 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844440240 635902694 /nfs/dbraw/zinc/90/26/94/635902694.db2.gz SFGJHINROPUCCH-CQSZACIVSA-N 1 1 296.317 3.259 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880313412 635971971 /nfs/dbraw/zinc/97/19/71/635971971.db2.gz MVPAEAGDLRXMOG-LBPRGKRZSA-N 1 1 289.360 3.041 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3nccs3)C2)cs1 ZINC000880316789 635973847 /nfs/dbraw/zinc/97/38/47/635973847.db2.gz LGOAMJNQXSIPAH-SNVBAGLBSA-N 1 1 295.389 3.102 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](c3nccs3)C2)cs1 ZINC000880316789 635973852 /nfs/dbraw/zinc/97/38/52/635973852.db2.gz LGOAMJNQXSIPAH-SNVBAGLBSA-N 1 1 295.389 3.102 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846112606 636145873 /nfs/dbraw/zinc/14/58/73/636145873.db2.gz SKIVKAMVLGHPMR-QCNRNOMUSA-N 1 1 294.301 3.195 20 5 CGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H](CF)C3)c2c1 ZINC000882804154 636426191 /nfs/dbraw/zinc/42/61/91/636426191.db2.gz VECPUHCULOUCRW-NSHDSACASA-N 1 1 289.310 3.329 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)O[NH+]=C(N)[C@H]1C[C@@H]1C ZINC000848517787 636583920 /nfs/dbraw/zinc/58/39/20/636583920.db2.gz GBVNZYZBVXVKDU-KWBADKCTSA-N 1 1 277.324 3.119 20 5 CGBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000133246946 636888391 /nfs/dbraw/zinc/88/83/91/636888391.db2.gz QPUQRWTZZKZEKM-NXEZZACHSA-N 1 1 268.744 3.479 20 5 CGBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000885948794 637326375 /nfs/dbraw/zinc/32/63/75/637326375.db2.gz FRAPQBVRAHIDQX-HNNXBMFYSA-N 1 1 283.331 3.109 20 5 CGBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000885948794 637326378 /nfs/dbraw/zinc/32/63/78/637326378.db2.gz FRAPQBVRAHIDQX-HNNXBMFYSA-N 1 1 283.331 3.109 20 5 CGBDMO Cc1ccccc1C[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885966991 637336044 /nfs/dbraw/zinc/33/60/44/637336044.db2.gz FWNVMCDUERACJA-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1ccccc1C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885966991 637336047 /nfs/dbraw/zinc/33/60/47/637336047.db2.gz FWNVMCDUERACJA-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO CC[C@@H](C)[C@@H](C)[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885989033 637343791 /nfs/dbraw/zinc/34/37/91/637343791.db2.gz UWBTVPWYJAHGPT-VXGBXAGGSA-N 1 1 277.368 3.389 20 5 CGBDMO C[C@H]1c2ccccc2CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886001931 637352463 /nfs/dbraw/zinc/35/24/63/637352463.db2.gz NEHVLUJSOFZYIQ-LBPRGKRZSA-N 1 1 283.331 3.109 20 5 CGBDMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886001931 637352464 /nfs/dbraw/zinc/35/24/64/637352464.db2.gz NEHVLUJSOFZYIQ-LBPRGKRZSA-N 1 1 283.331 3.109 20 5 CGBDMO CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886021069 637369586 /nfs/dbraw/zinc/36/95/86/637369586.db2.gz OGLZAQVFNXLARS-MRXNPFEDSA-N 1 1 299.374 3.443 20 5 CGBDMO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C ZINC000886158095 637440986 /nfs/dbraw/zinc/44/09/86/637440986.db2.gz RFSKDAAKIXVIDI-OCCSQVGLSA-N 1 1 277.368 3.390 20 5 CGBDMO Cc1cc(C)cc(C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])c1 ZINC000886173333 637448270 /nfs/dbraw/zinc/44/82/70/637448270.db2.gz MBRDIWCUOYYYGN-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO Cc1cc(C)cc(C[N@H+](C)Cc2cccnc2[N+](=O)[O-])c1 ZINC000886173333 637448276 /nfs/dbraw/zinc/44/82/76/637448276.db2.gz MBRDIWCUOYYYGN-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO C/C=C\C[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886303741 637491327 /nfs/dbraw/zinc/49/13/27/637491327.db2.gz FETATENZKSBBTM-XQJDBVBESA-N 1 1 275.352 3.168 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000886319817 637499377 /nfs/dbraw/zinc/49/93/77/637499377.db2.gz QDLGIMPAFQMFOK-LRDDRELGSA-N 1 1 295.342 3.424 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000886319817 637499384 /nfs/dbraw/zinc/49/93/84/637499384.db2.gz QDLGIMPAFQMFOK-LRDDRELGSA-N 1 1 295.342 3.424 20 5 CGBDMO CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852711855 637698150 /nfs/dbraw/zinc/69/81/50/637698150.db2.gz JNKUWUGTXFKHCU-JGGQBBKZSA-N 1 1 292.379 3.281 20 5 CGBDMO CC1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000091439706 640712963 /nfs/dbraw/zinc/71/29/63/640712963.db2.gz AKWGQGPHVNMHGG-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO CC1(C)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000091439706 640712968 /nfs/dbraw/zinc/71/29/68/640712968.db2.gz AKWGQGPHVNMHGG-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO C[N@@H+]1CCc2c(NCCC(C)(C)C)ccc([N+](=O)[O-])c2C1 ZINC001161681132 806416488 /nfs/dbraw/zinc/41/64/88/806416488.db2.gz HIOSMQIRAAUVOS-UHFFFAOYSA-N 1 1 291.395 3.431 20 5 CGBDMO C[N@H+]1CCc2c(NCCC(C)(C)C)ccc([N+](=O)[O-])c2C1 ZINC001161681132 806416490 /nfs/dbraw/zinc/41/64/90/806416490.db2.gz HIOSMQIRAAUVOS-UHFFFAOYSA-N 1 1 291.395 3.431 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CF)C1 ZINC001254563291 806451539 /nfs/dbraw/zinc/45/15/39/806451539.db2.gz WEMZUXNIHUEZFH-CHWSQXEVSA-N 1 1 280.343 3.207 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(NC(=[NH2+])C(C)(C)C)c1F ZINC001162666055 806644523 /nfs/dbraw/zinc/64/45/23/806644523.db2.gz YAZLASBNQUQOLD-UHFFFAOYSA-N 1 1 253.277 3.478 20 5 CGBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169007451 807551257 /nfs/dbraw/zinc/55/12/57/807551257.db2.gz NWCILOGBMVJJHI-UMVBOHGHSA-N 1 1 274.364 3.051 20 5 CGBDMO CC[N@@H+](Cc1cccs1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039799 807556816 /nfs/dbraw/zinc/55/68/16/807556816.db2.gz UBIRATXVKBRBBY-VXGBXAGGSA-N 1 1 268.382 3.015 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)C1 ZINC001169039774 807557436 /nfs/dbraw/zinc/55/74/36/807557436.db2.gz TUDIIPINMGDZNM-XNRPHZJLSA-N 1 1 292.354 3.060 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](c3cccc(F)c3)C2)C1 ZINC001169038169 807557788 /nfs/dbraw/zinc/55/77/88/807557788.db2.gz WJJNSBCDKXFRMS-XPKDYRNWSA-N 1 1 292.354 3.060 20 5 CGBDMO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C(C)(C)C ZINC001261263267 807725817 /nfs/dbraw/zinc/72/58/17/807725817.db2.gz BKPQQAHPJNWMGL-UHFFFAOYSA-N 1 1 254.305 3.354 20 5 CGBDMO CS[C@@H]1CC[C@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001262006453 807804229 /nfs/dbraw/zinc/80/42/29/807804229.db2.gz RZJVLMJOAWOLSJ-LSDHHAIUSA-N 1 1 294.420 3.353 20 5 CGBDMO CS[C@@H]1CC[C@@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001262006452 807804632 /nfs/dbraw/zinc/80/46/32/807804632.db2.gz RZJVLMJOAWOLSJ-HUUCEWRRSA-N 1 1 294.420 3.353 20 5 CGBDMO COc1ccc(C[C@H](C)[N@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170345230 807828624 /nfs/dbraw/zinc/82/86/24/807828624.db2.gz IIYSFQHCUMHBBR-LBPRGKRZSA-N 1 1 292.379 3.266 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC001173226499 808541192 /nfs/dbraw/zinc/54/11/92/808541192.db2.gz MFCJULCRWFIWBS-OLZOCXBDSA-N 1 1 262.353 3.400 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001173227106 808541672 /nfs/dbraw/zinc/54/16/72/808541672.db2.gz OCVXFYMDCWBZDQ-FZMZJTMJSA-N 1 1 296.317 3.257 20 5 CGBDMO C[C@@H]1CCC[N@@H+](CCNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001184839395 810221093 /nfs/dbraw/zinc/22/10/93/810221093.db2.gz IHEHRKDAPYUCII-LLVKDONJSA-N 1 1 297.786 3.392 20 5 CGBDMO Cc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])s1 ZINC001186871938 810367130 /nfs/dbraw/zinc/36/71/30/810367130.db2.gz DYCVVUAUFGYWNQ-DGCLKSJQSA-N 1 1 295.408 3.394 20 5 CGBDMO Cc1ccc2c(c1)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC001195911145 811302139 /nfs/dbraw/zinc/30/21/39/811302139.db2.gz NIULBGUYQOAGNO-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO Cc1ccc2c(c1)C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC001195911145 811302145 /nfs/dbraw/zinc/30/21/45/811302145.db2.gz NIULBGUYQOAGNO-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO Cc1[nH+]c2ccccn2c1Nc1cc(F)cc([N+](=O)[O-])c1 ZINC001216480835 815836080 /nfs/dbraw/zinc/83/60/80/815836080.db2.gz CBKIBVSQUQFWKW-UHFFFAOYSA-N 1 1 286.266 3.434 20 5 CGBDMO Cc1c(CO[C@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001223330500 816607101 /nfs/dbraw/zinc/60/71/01/816607101.db2.gz RQUXSUJEMDSDER-HNNXBMFYSA-N 1 1 292.379 3.293 20 5 CGBDMO C[C@@H](OC[C@@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC001224707221 816860147 /nfs/dbraw/zinc/86/01/47/816860147.db2.gz PBRXVLKEYDGAOL-OLZOCXBDSA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1cccc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c1[N+](=O)[O-] ZINC001225635264 817120884 /nfs/dbraw/zinc/12/08/84/817120884.db2.gz CPMINGXDZHHXMV-YWVIFJGQSA-N 1 1 290.363 3.012 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1O[C@@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001226971729 817521768 /nfs/dbraw/zinc/52/17/68/817521768.db2.gz ROJNNPJZVFRTDE-YWVIFJGQSA-N 1 1 290.363 3.012 20 5 CGBDMO C[N@H+]1CC[C@@H](Oc2cccc3ccc4cccnc4c32)C1 ZINC001227765493 817717420 /nfs/dbraw/zinc/71/74/20/817717420.db2.gz WULLRWIADTZPNI-OAHLLOKOSA-N 1 1 278.355 3.471 20 5 CGBDMO Cc1cc(F)c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC001234057252 818770241 /nfs/dbraw/zinc/77/02/41/818770241.db2.gz SIFNADDBMGLIEL-GDNZZTSVSA-N 1 1 294.326 3.046 20 5 CGBDMO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001338309662 936315897 /nfs/dbraw/zinc/31/58/97/936315897.db2.gz BBAYOQXUMAWUKK-VIFPVBQESA-N 1 1 299.168 3.199 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001338309662 936315901 /nfs/dbraw/zinc/31/59/01/936315901.db2.gz BBAYOQXUMAWUKK-VIFPVBQESA-N 1 1 299.168 3.199 20 5 CGBDMO CCOc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)o1 ZINC001345088746 936801043 /nfs/dbraw/zinc/80/10/43/936801043.db2.gz CCJPBSFFOCFEOK-UHFFFAOYSA-N 1 1 290.319 3.185 20 5 CGBDMO Cc1cc(NC[C@@H]2[N@@H+](C)CCCC2(C)C)c([N+](=O)[O-])s1 ZINC001458367333 937460088 /nfs/dbraw/zinc/46/00/88/937460088.db2.gz JAXYYWMRGSBFAQ-LBPRGKRZSA-N 1 1 297.424 3.497 20 5 CGBDMO Cc1cc([N+](=O)[O-])c(C)cc1OC1CC[NH+](CCF)CC1 ZINC001230723338 932614569 /nfs/dbraw/zinc/61/45/69/932614569.db2.gz JCMAVMRMLCTYSC-UHFFFAOYSA-N 1 1 296.342 3.024 20 5 CGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc(Cl)c1[N+](=O)[O-])C2 ZINC001230917865 932641354 /nfs/dbraw/zinc/64/13/54/932641354.db2.gz KUYHRDDCKZMZEA-JGPRNRPPSA-N 1 1 296.754 3.252 20 5 CGBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC001307836298 933006425 /nfs/dbraw/zinc/00/64/25/933006425.db2.gz JHGIRBQQWOGNKW-UHFFFAOYSA-N 1 1 292.379 3.484 20 5 CGBDMO CS[C@H]1CC[C@H]([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001318783773 933779830 /nfs/dbraw/zinc/77/98/30/933779830.db2.gz GREDWRZKSQFMID-QWRGUYRKSA-N 1 1 298.383 3.450 20 5 CGBDMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001318783773 933779838 /nfs/dbraw/zinc/77/98/38/933779838.db2.gz GREDWRZKSQFMID-QWRGUYRKSA-N 1 1 298.383 3.450 20 5 CGBDMO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC001331024856 935343553 /nfs/dbraw/zinc/34/35/53/935343553.db2.gz BFJGCSWMXXGMDO-UHFFFAOYSA-N 1 1 289.335 3.356 20 5 CGBDMO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC001331024856 935343556 /nfs/dbraw/zinc/34/35/56/935343556.db2.gz BFJGCSWMXXGMDO-UHFFFAOYSA-N 1 1 289.335 3.356 20 5 CGBDMO C[C@H]([NH2+]C/C=C/C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC001332276884 935455868 /nfs/dbraw/zinc/45/58/68/935455868.db2.gz IQZFTQQFQZZSKG-FSIBCCDJSA-N 1 1 264.300 3.351 20 5 CGBDMO C[C@@H]([NH2+]C/C=C\C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC001332276886 935456118 /nfs/dbraw/zinc/45/61/18/935456118.db2.gz IQZFTQQFQZZSKG-UMBAGQNISA-N 1 1 264.300 3.351 20 5 CGBDMO O=[N+]([O-])CC[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC001559656519 938232013 /nfs/dbraw/zinc/23/20/13/938232013.db2.gz QUUJKDGDNBRIJF-SFHVURJKSA-N 1 1 296.370 3.105 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC001559929242 938239308 /nfs/dbraw/zinc/23/93/08/938239308.db2.gz GHXHZBIZOSYUJZ-GHMZBOCLSA-N 1 1 266.316 3.354 20 5 CGBDMO Cc1c(C[N@H+](C)[C@@H](C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000127775727 187332589 /nfs/dbraw/zinc/33/25/89/187332589.db2.gz XDCQVJZZSJZSCF-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C(F)F)C1 ZINC000590968919 346891710 /nfs/dbraw/zinc/89/17/10/346891710.db2.gz OHUSOZZKWLBEDX-YHYXMXQVSA-N 1 1 282.290 3.195 20 5 CGBDMO CCc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000411485329 529655426 /nfs/dbraw/zinc/65/54/26/529655426.db2.gz GAHDAKRRNGSOII-LBPRGKRZSA-N 1 1 285.347 3.403 20 5 CGBDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000160087433 529689632 /nfs/dbraw/zinc/68/96/32/529689632.db2.gz RMHMTGNPPLNAQD-KBPBESRZSA-N 1 1 293.411 3.284 20 5 CGBDMO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000160087433 529689634 /nfs/dbraw/zinc/68/96/34/529689634.db2.gz RMHMTGNPPLNAQD-KBPBESRZSA-N 1 1 293.411 3.284 20 5 CGBDMO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000042976078 344991570 /nfs/dbraw/zinc/99/15/70/344991570.db2.gz YIEKDLSYEPHXKY-UHFFFAOYSA-N 1 1 286.331 3.235 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000059403318 345207183 /nfs/dbraw/zinc/20/71/83/345207183.db2.gz HSYIWOXZPFJGCQ-LBPRGKRZSA-N 1 1 250.342 3.258 20 5 CGBDMO CCn1cc(C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000072983323 345425734 /nfs/dbraw/zinc/42/57/34/345425734.db2.gz OFBUUFLGZXHZRF-GFCCVEGCSA-N 1 1 288.351 3.004 20 5 CGBDMO CCn1cc(C[N@@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000072983323 345425736 /nfs/dbraw/zinc/42/57/36/345425736.db2.gz OFBUUFLGZXHZRF-GFCCVEGCSA-N 1 1 288.351 3.004 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000075648885 345517564 /nfs/dbraw/zinc/51/75/64/345517564.db2.gz PJQIGTTYVFDEAF-NEPJUHHUSA-N 1 1 278.352 3.155 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000075648885 345517566 /nfs/dbraw/zinc/51/75/66/345517566.db2.gz PJQIGTTYVFDEAF-NEPJUHHUSA-N 1 1 278.352 3.155 20 5 CGBDMO C[C@H]1C[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000158468059 232237527 /nfs/dbraw/zinc/23/75/27/232237527.db2.gz OGMUWTGYCXFTNB-VHSXEESVSA-N 1 1 283.759 3.143 20 5 CGBDMO CCO[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000155435558 346153463 /nfs/dbraw/zinc/15/34/63/346153463.db2.gz CELQSGZALZKLSL-SBJJXXPASA-N 1 1 290.363 3.109 20 5 CGBDMO O=[N+]([O-])c1cc(C(F)F)ccc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000314004377 346481366 /nfs/dbraw/zinc/48/13/66/346481366.db2.gz UDYQGGNKEWWYHV-SNVBAGLBSA-N 1 1 297.305 3.181 20 5 CGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000588977584 346779845 /nfs/dbraw/zinc/77/98/45/346779845.db2.gz CLXJIJICYIZXCX-CQSZACIVSA-N 1 1 290.363 3.096 20 5 CGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])s1 ZINC000589598939 346801824 /nfs/dbraw/zinc/80/18/24/346801824.db2.gz MJVYCOQBNVJUAZ-SNVBAGLBSA-N 1 1 271.386 3.189 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000595108443 347284959 /nfs/dbraw/zinc/28/49/59/347284959.db2.gz PWVFBRWRPURJEH-RYUDHWBXSA-N 1 1 288.351 3.049 20 5 CGBDMO Cc1noc(C[N@@H+](CC2CC2)C2CCCCC2)c1[N+](=O)[O-] ZINC000595303806 347289219 /nfs/dbraw/zinc/28/92/19/347289219.db2.gz BRTCAJIMEICIAP-UHFFFAOYSA-N 1 1 293.367 3.436 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1occc1C ZINC000595037518 347265661 /nfs/dbraw/zinc/26/56/61/347265661.db2.gz GWMDFISJTYHTAY-NSHDSACASA-N 1 1 290.319 3.356 20 5 CGBDMO Cc1c(C[N@H+]2CC3(CCC3)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000595676863 347336283 /nfs/dbraw/zinc/33/62/83/347336283.db2.gz VGZAKFJMPNYYMK-GFCCVEGCSA-N 1 1 290.363 3.047 20 5 CGBDMO Cc1c(C[N@@H+]2CC3(CCC3)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000595676863 347336286 /nfs/dbraw/zinc/33/62/86/347336286.db2.gz VGZAKFJMPNYYMK-GFCCVEGCSA-N 1 1 290.363 3.047 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000595763090 347352779 /nfs/dbraw/zinc/35/27/79/347352779.db2.gz NSKOTNWSRDBIOP-LLVKDONJSA-N 1 1 284.306 3.306 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595782404 347355404 /nfs/dbraw/zinc/35/54/04/347355404.db2.gz ZKMQDUNNFABOPG-AGIUHOORSA-N 1 1 278.352 3.155 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000596337670 347422964 /nfs/dbraw/zinc/42/29/64/347422964.db2.gz ZRDQMRHYYPCLAM-VIFPVBQESA-N 1 1 299.321 3.158 20 5 CGBDMO CCC[C@H](NCC[C@@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000596653513 347498397 /nfs/dbraw/zinc/49/83/97/347498397.db2.gz LIWKMKDILRUOCZ-CVEARBPZSA-N 1 1 293.411 3.399 20 5 CGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@]1(C)CCCS1 ZINC000600110599 347780671 /nfs/dbraw/zinc/78/06/71/347780671.db2.gz AWGHQXXXKGXCEJ-AWEZNQCLSA-N 1 1 280.393 3.312 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC(F)(F)CC2)c(F)c1 ZINC000599551205 347753240 /nfs/dbraw/zinc/75/32/40/347753240.db2.gz IAXUPKJUHVHNKF-UHFFFAOYSA-N 1 1 288.269 3.355 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC(F)(F)CC2)c(F)c1 ZINC000599551205 347753243 /nfs/dbraw/zinc/75/32/43/347753243.db2.gz IAXUPKJUHVHNKF-UHFFFAOYSA-N 1 1 288.269 3.355 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)cc1 ZINC000600214017 347794887 /nfs/dbraw/zinc/79/48/87/347794887.db2.gz KGBZFGWLVUONJW-OAHLLOKOSA-N 1 1 298.342 3.290 20 5 CGBDMO O=[N+]([O-])c1ccc(OCCCn2cc[nH+]c2C2CC2)cc1 ZINC000600612096 347814307 /nfs/dbraw/zinc/81/43/07/347814307.db2.gz ZQJXKQFETJFCQC-UHFFFAOYSA-N 1 1 287.319 3.138 20 5 CGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@H](F)C3)c2c1 ZINC000601160021 347876251 /nfs/dbraw/zinc/87/62/51/347876251.db2.gz PUSNPBCYFXJGDY-JTQLQIEISA-N 1 1 275.283 3.081 20 5 CGBDMO C[C@H](CF)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602663546 348003654 /nfs/dbraw/zinc/00/36/54/348003654.db2.gz USLOCZBIQSPJMP-SSDOTTSWSA-N 1 1 280.221 3.061 20 5 CGBDMO CC(C)CC[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604013557 348106601 /nfs/dbraw/zinc/10/66/01/348106601.db2.gz PZCMGVCJYPPTLS-UHFFFAOYSA-N 1 1 280.368 3.342 20 5 CGBDMO CCC[N@H+](CC)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351911138 219245337 /nfs/dbraw/zinc/24/53/37/219245337.db2.gz QRNBDYBOUJYCJG-UHFFFAOYSA-N 1 1 258.268 3.105 20 5 CGBDMO CCC[N@@H+](CC)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351911138 219245340 /nfs/dbraw/zinc/24/53/40/219245340.db2.gz QRNBDYBOUJYCJG-UHFFFAOYSA-N 1 1 258.268 3.105 20 5 CGBDMO C[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000604487462 348121705 /nfs/dbraw/zinc/12/17/05/348121705.db2.gz SQROCXNFOLLECH-AWEZNQCLSA-N 1 1 292.379 3.486 20 5 CGBDMO CC(C)(C)[C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000609195421 348339395 /nfs/dbraw/zinc/33/93/95/348339395.db2.gz MNZXYEHHYINFGB-OAHLLOKOSA-N 1 1 292.379 3.484 20 5 CGBDMO Cc1ccc(C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000610951084 348411314 /nfs/dbraw/zinc/41/13/14/348411314.db2.gz VRGIDJKZNFAFGF-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1ccc(C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000610951084 348411317 /nfs/dbraw/zinc/41/13/17/348411317.db2.gz VRGIDJKZNFAFGF-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000610582770 348391456 /nfs/dbraw/zinc/39/14/56/348391456.db2.gz YPPCQPVVZWQRQH-MNOVXSKESA-N 1 1 289.335 3.356 20 5 CGBDMO C[C@H]([N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000610619611 348392680 /nfs/dbraw/zinc/39/26/80/348392680.db2.gz ZGGLMCDAPPXLQZ-ZDUSSCGKSA-N 1 1 292.379 3.484 20 5 CGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611319651 348437880 /nfs/dbraw/zinc/43/78/80/348437880.db2.gz KBZDSEBTFDEKQU-GHMZBOCLSA-N 1 1 289.335 3.499 20 5 CGBDMO C[N@H+]1Cc2ccccc2[C@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000611133203 348424511 /nfs/dbraw/zinc/42/45/11/348424511.db2.gz MYUCGKFCNDLQDY-CYBMUJFWSA-N 1 1 289.360 3.255 20 5 CGBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000611133203 348424513 /nfs/dbraw/zinc/42/45/13/348424513.db2.gz MYUCGKFCNDLQDY-CYBMUJFWSA-N 1 1 289.360 3.255 20 5 CGBDMO COc1cc(C[N@H+](C)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000611515180 348458377 /nfs/dbraw/zinc/45/83/77/348458377.db2.gz GCLSIGBGVAFSDR-UHFFFAOYSA-N 1 1 292.360 3.297 20 5 CGBDMO COc1cc(C[N@@H+](C)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000611515180 348458379 /nfs/dbraw/zinc/45/83/79/348458379.db2.gz GCLSIGBGVAFSDR-UHFFFAOYSA-N 1 1 292.360 3.297 20 5 CGBDMO C[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC000352024310 219292874 /nfs/dbraw/zinc/29/28/74/219292874.db2.gz FPPIMRAYPMDRHW-UWVGGRQHSA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC000352024310 219292876 /nfs/dbraw/zinc/29/28/76/219292876.db2.gz FPPIMRAYPMDRHW-UWVGGRQHSA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000037150674 137878258 /nfs/dbraw/zinc/87/82/58/137878258.db2.gz GUHNQEWSLZCLGF-LLVKDONJSA-N 1 1 272.304 3.151 20 5 CGBDMO C[C@@H]1C[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000122830678 187054082 /nfs/dbraw/zinc/05/40/82/187054082.db2.gz RAJLZVCDTBNNJV-MWLCHTKSSA-N 1 1 295.770 3.285 20 5 CGBDMO CC(C)([NH2+]Cc1ccc(F)cn1)c1ccccc1[N+](=O)[O-] ZINC000292100909 198163122 /nfs/dbraw/zinc/16/31/22/198163122.db2.gz HZBMDZMNCWLFIV-UHFFFAOYSA-N 1 1 289.310 3.154 20 5 CGBDMO Cc1c(C[N@@H+](C)CCc2nccs2)cccc1[N+](=O)[O-] ZINC000157944611 188348448 /nfs/dbraw/zinc/34/84/48/188348448.db2.gz XEEQLNVGLPPOGC-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO COC1(C)CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000271804566 191337330 /nfs/dbraw/zinc/33/73/30/191337330.db2.gz XFDUNIRJEJLFDJ-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@H]([N@@H+](C)CCOc1cccc([N+](=O)[O-])c1)C1(C)CC1 ZINC000437534867 237297559 /nfs/dbraw/zinc/29/75/59/237297559.db2.gz JMVGBULDEABMBM-LBPRGKRZSA-N 1 1 278.352 3.094 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCc2cccnc2)C2CC2)cc1 ZINC000179519688 189199216 /nfs/dbraw/zinc/19/92/16/189199216.db2.gz SSLJQYMXQLTNNN-UHFFFAOYSA-N 1 1 297.358 3.197 20 5 CGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCOC1 ZINC000182158054 189315932 /nfs/dbraw/zinc/31/59/32/189315932.db2.gz LEKCKDAVPYWONX-LLVKDONJSA-N 1 1 298.770 3.107 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451122760 240223320 /nfs/dbraw/zinc/22/33/20/240223320.db2.gz SPXBIWBMJXQAQH-SMDDNHRTSA-N 1 1 266.316 3.480 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@](C)(F)C1 ZINC000451122760 240223326 /nfs/dbraw/zinc/22/33/26/240223326.db2.gz SPXBIWBMJXQAQH-SMDDNHRTSA-N 1 1 266.316 3.480 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@](C)(F)C1 ZINC000451122759 240223418 /nfs/dbraw/zinc/22/34/18/240223418.db2.gz SPXBIWBMJXQAQH-RISCZKNCSA-N 1 1 266.316 3.480 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@](C)(F)C1 ZINC000451122759 240223425 /nfs/dbraw/zinc/22/34/25/240223425.db2.gz SPXBIWBMJXQAQH-RISCZKNCSA-N 1 1 266.316 3.480 20 5 CGBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC(C)(C)C1 ZINC000459734555 242198212 /nfs/dbraw/zinc/19/82/12/242198212.db2.gz CWNXUOLPBDZOCE-UHFFFAOYSA-N 1 1 288.351 3.092 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000459784870 242232453 /nfs/dbraw/zinc/23/24/53/242232453.db2.gz JNWDHZNBPWPPMM-NWDGAFQWSA-N 1 1 288.351 3.049 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](C2CC2)C1 ZINC000537651147 376192181 /nfs/dbraw/zinc/19/21/81/376192181.db2.gz YIZJKIFZEZTANC-UJAVWCLSSA-N 1 1 272.348 3.340 20 5 CGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000481392157 243190887 /nfs/dbraw/zinc/19/08/87/243190887.db2.gz RZBKULRNWUVLIW-IUODEOHRSA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000050443426 369440216 /nfs/dbraw/zinc/44/02/16/369440216.db2.gz BZCCLSCXJLZHAE-SNVBAGLBSA-N 1 1 291.738 3.494 20 5 CGBDMO Cc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)on1 ZINC000064350195 369653454 /nfs/dbraw/zinc/65/34/54/369653454.db2.gz SHBCLSVFELAJGT-UHFFFAOYSA-N 1 1 289.335 3.302 20 5 CGBDMO Cc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)on1 ZINC000064350195 369653459 /nfs/dbraw/zinc/65/34/59/369653459.db2.gz SHBCLSVFELAJGT-UHFFFAOYSA-N 1 1 289.335 3.302 20 5 CGBDMO CCOC[C@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000072976880 369846380 /nfs/dbraw/zinc/84/63/80/369846380.db2.gz QKJCVNWISIWJTC-KBPBESRZSA-N 1 1 292.379 3.404 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC2(CCC2)C1 ZINC000093455803 370133886 /nfs/dbraw/zinc/13/38/86/370133886.db2.gz PGARYVNZMRRYLF-ZZXKWVIFSA-N 1 1 272.348 3.484 20 5 CGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccccc1[N+](=O)[O-] ZINC000511713406 245001309 /nfs/dbraw/zinc/00/13/09/245001309.db2.gz QEIUENGSZMUEEF-MJBXVCDLSA-N 1 1 291.395 3.373 20 5 CGBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CCCC1 ZINC000331770022 204140159 /nfs/dbraw/zinc/14/01/59/204140159.db2.gz FFLKAZOSPVKSRL-UHFFFAOYSA-N 1 1 288.351 3.093 20 5 CGBDMO Cc1c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000153274244 371758490 /nfs/dbraw/zinc/75/84/90/371758490.db2.gz UEKMDCPFEGDDDE-OKILXGFUSA-N 1 1 260.337 3.135 20 5 CGBDMO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCC1(F)F ZINC000289702273 371796467 /nfs/dbraw/zinc/79/64/67/371796467.db2.gz HNSWEIXCOHXDQK-JTQLQIEISA-N 1 1 270.279 3.072 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCC1(F)F ZINC000289702273 371796473 /nfs/dbraw/zinc/79/64/73/371796473.db2.gz HNSWEIXCOHXDQK-JTQLQIEISA-N 1 1 270.279 3.072 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000428465370 372215327 /nfs/dbraw/zinc/21/53/27/372215327.db2.gz XCAPROAXORTLKK-FEGLDZKKSA-N 1 1 272.348 3.482 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000428452031 372205027 /nfs/dbraw/zinc/20/50/27/372205027.db2.gz IRQVDMVVROQQED-KBPBESRZSA-N 1 1 260.337 3.278 20 5 CGBDMO CC[N@@H+](C)C[C@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000432312957 372556658 /nfs/dbraw/zinc/55/66/58/372556658.db2.gz QMWPCPIBUBDUQX-LLVKDONJSA-N 1 1 297.786 3.026 20 5 CGBDMO COCCCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172174278 372919364 /nfs/dbraw/zinc/91/93/64/372919364.db2.gz XLVOHIHKHZZHTE-UHFFFAOYSA-N 1 1 286.759 3.107 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000441441620 373013144 /nfs/dbraw/zinc/01/31/44/373013144.db2.gz RWNIBKYCXQPRLK-DOMZBBRYSA-N 1 1 290.363 3.368 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000174150256 373258483 /nfs/dbraw/zinc/25/84/83/373258483.db2.gz VYRZDCUCPRAAMQ-OLZOCXBDSA-N 1 1 278.352 3.014 20 5 CGBDMO CCOC[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000176307121 373580744 /nfs/dbraw/zinc/58/07/44/373580744.db2.gz SZKSRWJSRXEWPO-NSHDSACASA-N 1 1 298.770 3.107 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000177182261 373660309 /nfs/dbraw/zinc/66/03/09/373660309.db2.gz XQFROQMSQXWZHZ-LSDHHAIUSA-N 1 1 292.404 3.455 20 5 CGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)cc1 ZINC000449503111 373800874 /nfs/dbraw/zinc/80/08/74/373800874.db2.gz STRNKXSNBSQPJH-OAHLLOKOSA-N 1 1 297.358 3.369 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000449737833 373865078 /nfs/dbraw/zinc/86/50/78/373865078.db2.gz ZXULQDUJFHMFEU-HNNXBMFYSA-N 1 1 292.404 3.314 20 5 CGBDMO CC(C)[C@H]1C[N@@H+](C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302781028 373960384 /nfs/dbraw/zinc/96/03/84/373960384.db2.gz RPGVXSCDXVLVQV-CQSZACIVSA-N 1 1 297.786 3.025 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000183392905 374410058 /nfs/dbraw/zinc/41/00/58/374410058.db2.gz DGVBPSTVCRUQSM-MRXNPFEDSA-N 1 1 292.379 3.150 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332218452 374559940 /nfs/dbraw/zinc/55/99/40/374559940.db2.gz IKPYWSRBPJTDBF-LLVKDONJSA-N 1 1 288.351 3.093 20 5 CGBDMO CC[C@@]1(C)CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000464770623 374897489 /nfs/dbraw/zinc/89/74/89/374897489.db2.gz CGDOFWNOMXZJJH-INIZCTEOSA-N 1 1 292.379 3.486 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[C@H](C)O1 ZINC000190428577 375509288 /nfs/dbraw/zinc/50/92/88/375509288.db2.gz YYTLDUSHHVAZLI-XJKSGUPXSA-N 1 1 292.379 3.373 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000541389486 376445621 /nfs/dbraw/zinc/44/56/21/376445621.db2.gz KYALGXSUSBVSGR-ZDUSSCGKSA-N 1 1 292.379 3.471 20 5 CGBDMO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000229742333 376470013 /nfs/dbraw/zinc/47/00/13/376470013.db2.gz FAGYXJXQJKRBIU-UHFFFAOYSA-N 1 1 290.294 3.032 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000542701215 376569372 /nfs/dbraw/zinc/56/93/72/376569372.db2.gz ZUTIKCKVSWNWNC-CYBMUJFWSA-N 1 1 262.353 3.381 20 5 CGBDMO CC(C)C[C@@H]1CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338942302 376588397 /nfs/dbraw/zinc/58/83/97/376588397.db2.gz KQKIQLCEQMDKFS-ZDUSSCGKSA-N 1 1 278.352 3.311 20 5 CGBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC000339004463 376622779 /nfs/dbraw/zinc/62/27/79/376622779.db2.gz WVVBUFXMFPLKCC-QWHCGFSZSA-N 1 1 277.368 3.270 20 5 CGBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000543247160 376623032 /nfs/dbraw/zinc/62/30/32/376623032.db2.gz AIJWPPOHRWJYKJ-CYBMUJFWSA-N 1 1 262.353 3.463 20 5 CGBDMO COC(C)(C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543858511 376685286 /nfs/dbraw/zinc/68/52/86/376685286.db2.gz UHPMMILTJGCAMH-UHFFFAOYSA-N 1 1 286.759 3.105 20 5 CGBDMO COC(C)(C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543858511 376685289 /nfs/dbraw/zinc/68/52/89/376685289.db2.gz UHPMMILTJGCAMH-UHFFFAOYSA-N 1 1 286.759 3.105 20 5 CGBDMO CC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000543893211 376686638 /nfs/dbraw/zinc/68/66/38/376686638.db2.gz HUKYUNCCONEBMT-UHFFFAOYSA-N 1 1 266.728 3.400 20 5 CGBDMO CC1=CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000543893211 376686647 /nfs/dbraw/zinc/68/66/47/376686647.db2.gz HUKYUNCCONEBMT-UHFFFAOYSA-N 1 1 266.728 3.400 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]1CF ZINC000556950002 376911492 /nfs/dbraw/zinc/91/14/92/376911492.db2.gz LRKKNGDXIBMVNN-INDWDQIESA-N 1 1 278.327 3.432 20 5 CGBDMO COc1ccc(C[N@H+]2CC[C@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000245884971 376925003 /nfs/dbraw/zinc/92/50/03/376925003.db2.gz ISWIYKCYGWTBAC-NWDGAFQWSA-N 1 1 278.352 3.081 20 5 CGBDMO CC[N@@H+]1CCCC[C@@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000248184223 377277037 /nfs/dbraw/zinc/27/70/37/377277037.db2.gz XATXJABEOLYQLL-CZUORRHYSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[N@H+]1CCCC[C@@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000248184223 377277045 /nfs/dbraw/zinc/27/70/45/377277045.db2.gz XATXJABEOLYQLL-CZUORRHYSA-N 1 1 291.395 3.120 20 5 CGBDMO CC(C)c1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414926502 249123973 /nfs/dbraw/zinc/12/39/73/249123973.db2.gz NHZNGOMVXZSNOV-UONOGXRCSA-N 1 1 291.395 3.078 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000341474134 377581548 /nfs/dbraw/zinc/58/15/48/377581548.db2.gz BGCHRIACVHQKIB-SECBINFHSA-N 1 1 254.717 3.090 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000515544127 249215341 /nfs/dbraw/zinc/21/53/41/249215341.db2.gz BOEPZBZZUOKMMM-ZDUSSCGKSA-N 1 1 278.352 3.238 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000343006515 377880461 /nfs/dbraw/zinc/88/04/61/377880461.db2.gz BWZGZTKZVJVGBJ-HNNXBMFYSA-N 1 1 290.363 3.368 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]1C(C)C ZINC000342862692 377843788 /nfs/dbraw/zinc/84/37/88/377843788.db2.gz UQLISEGXMAHGHW-AWEZNQCLSA-N 1 1 278.352 3.224 20 5 CGBDMO CC[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000343680740 378064535 /nfs/dbraw/zinc/06/45/35/378064535.db2.gz PXOLJRBSFGTZJY-GTBONMDNSA-N 1 1 290.363 3.109 20 5 CGBDMO Cc1[nH+]ccn1CCCOc1cc([N+](=O)[O-])ccc1Cl ZINC000271180340 378472821 /nfs/dbraw/zinc/47/28/21/378472821.db2.gz CFPDSXXQHOBKQF-UHFFFAOYSA-N 1 1 295.726 3.222 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC2(CCC2)C1 ZINC000348195189 378833961 /nfs/dbraw/zinc/83/39/61/378833961.db2.gz VVUMEPMOFOYXLJ-UHFFFAOYSA-N 1 1 290.363 3.370 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000374007294 379363165 /nfs/dbraw/zinc/36/31/65/379363165.db2.gz DYCFSTRHGBRSTK-AWEZNQCLSA-N 1 1 286.331 3.220 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CCCCO1 ZINC000266680351 190274819 /nfs/dbraw/zinc/27/48/19/190274819.db2.gz AFTUPMIWWCEGOM-QWHCGFSZSA-N 1 1 278.352 3.157 20 5 CGBDMO CC[N@@H+](C)C[C@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000279466714 379440824 /nfs/dbraw/zinc/44/08/24/379440824.db2.gz MLMDOZOWWHONRX-LLVKDONJSA-N 1 1 297.786 3.026 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2ccccc2C1 ZINC000349833476 379410915 /nfs/dbraw/zinc/41/09/15/379410915.db2.gz LOARSFISWDXWTG-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO COc1cc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352416723 379806025 /nfs/dbraw/zinc/80/60/25/379806025.db2.gz JBTKMIGQCLAARK-TXEJJXNPSA-N 1 1 278.352 3.366 20 5 CGBDMO CC1(C)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000378345006 379807002 /nfs/dbraw/zinc/80/70/02/379807002.db2.gz GDJZTOINQLURFB-VMPITWQZSA-N 1 1 290.363 3.109 20 5 CGBDMO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CC1 ZINC000355620640 380729947 /nfs/dbraw/zinc/72/99/47/380729947.db2.gz SAKXEVWEQKRBKV-UHFFFAOYSA-N 1 1 288.351 3.093 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCc2occc2C1 ZINC000288865546 197181461 /nfs/dbraw/zinc/18/14/61/197181461.db2.gz QDPFJUJVSSRRBW-UHFFFAOYSA-N 1 1 272.304 3.136 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCc2occc2C1 ZINC000288865546 197181462 /nfs/dbraw/zinc/18/14/62/197181462.db2.gz QDPFJUJVSSRRBW-UHFFFAOYSA-N 1 1 272.304 3.136 20 5 CGBDMO COc1cc(C[N@H+]2CCCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000360614574 381594514 /nfs/dbraw/zinc/59/45/14/381594514.db2.gz SVGOIEIRCMVMSK-LBPRGKRZSA-N 1 1 278.352 3.225 20 5 CGBDMO CCC(C)(C)[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000362327955 381942467 /nfs/dbraw/zinc/94/24/67/381942467.db2.gz ZQCOGEHZRFZKBQ-UHFFFAOYSA-N 1 1 284.331 3.363 20 5 CGBDMO CO[C@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000363672649 382245568 /nfs/dbraw/zinc/24/55/68/382245568.db2.gz KGEBBZHUWDPQNR-HIFRSBDPSA-N 1 1 292.379 3.465 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000351837528 285093223 /nfs/dbraw/zinc/09/32/23/285093223.db2.gz VGYJGQQBHOUNIR-XPTSAGLGSA-N 1 1 282.290 3.247 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000351837528 285093224 /nfs/dbraw/zinc/09/32/24/285093224.db2.gz VGYJGQQBHOUNIR-XPTSAGLGSA-N 1 1 282.290 3.247 20 5 CGBDMO Cn1cccc1C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353775327 220321725 /nfs/dbraw/zinc/32/17/25/220321725.db2.gz MEJXEQGFOJKMMY-YVMONPNESA-N 1 1 285.347 3.079 20 5 CGBDMO CO[C@@H](C)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000353777571 220324629 /nfs/dbraw/zinc/32/46/29/220324629.db2.gz BRHRGHJRWLCFKP-KGXGESDWSA-N 1 1 292.379 3.353 20 5 CGBDMO Cc1c([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361772501 392320544 /nfs/dbraw/zinc/32/05/44/392320544.db2.gz NFQOKFXLVJVZPG-KWCYVHTRSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1c([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361772501 392320547 /nfs/dbraw/zinc/32/05/47/392320547.db2.gz NFQOKFXLVJVZPG-KWCYVHTRSA-N 1 1 291.395 3.037 20 5 CGBDMO CCOC[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247020350 131098811 /nfs/dbraw/zinc/09/88/11/131098811.db2.gz QKJCVNWISIWJTC-ZIAGYGMSSA-N 1 1 292.379 3.404 20 5 CGBDMO C[C@H]1C[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000158468349 392567200 /nfs/dbraw/zinc/56/72/00/392567200.db2.gz OGMUWTGYCXFTNB-UWVGGRQHSA-N 1 1 283.759 3.143 20 5 CGBDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000525640070 392944561 /nfs/dbraw/zinc/94/45/61/392944561.db2.gz NXQDHPCRDZHERJ-UONOGXRCSA-N 1 1 292.379 3.484 20 5 CGBDMO CC[C@@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000470172316 393229054 /nfs/dbraw/zinc/22/90/54/393229054.db2.gz VCWLKWFNBWBBKG-LRFDDAOPSA-N 1 1 290.363 3.109 20 5 CGBDMO CC[C@@H]1C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000470172316 393229057 /nfs/dbraw/zinc/22/90/57/393229057.db2.gz VCWLKWFNBWBBKG-LRFDDAOPSA-N 1 1 290.363 3.109 20 5 CGBDMO C[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000352028965 393198564 /nfs/dbraw/zinc/19/85/64/393198564.db2.gz QUBBQSKSJIDHRE-RKDXNWHRSA-N 1 1 270.279 3.103 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000352028965 393198571 /nfs/dbraw/zinc/19/85/71/393198571.db2.gz QUBBQSKSJIDHRE-RKDXNWHRSA-N 1 1 270.279 3.103 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000429563024 393480281 /nfs/dbraw/zinc/48/02/81/393480281.db2.gz AWJZRBMFSGCNKL-JQWIXIFHSA-N 1 1 296.342 3.363 20 5 CGBDMO Cc1cccc2c1C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000429567295 393481460 /nfs/dbraw/zinc/48/14/60/393481460.db2.gz XAJACPVOWBZIEA-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CC2(CCC2(F)F)C1 ZINC000356518333 393470024 /nfs/dbraw/zinc/47/00/24/393470024.db2.gz DGDUMYCHYBQTDW-HYXAFXHYSA-N 1 1 294.301 3.339 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@H]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000429582172 393487663 /nfs/dbraw/zinc/48/76/63/393487663.db2.gz ZVDPPTDTYQXJGJ-AAEUAGOBSA-N 1 1 278.352 3.224 20 5 CGBDMO CCC(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430201817 393537506 /nfs/dbraw/zinc/53/75/06/393537506.db2.gz BNDTYBCDSUFRNZ-UHFFFAOYSA-N 1 1 266.341 3.224 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)CCSC ZINC000430207550 393539778 /nfs/dbraw/zinc/53/97/78/393539778.db2.gz RCEDGECMCPJXDT-NSHDSACASA-N 1 1 298.408 3.177 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]([C@@H](C)C1CC1)C1CC1 ZINC000430210682 393539805 /nfs/dbraw/zinc/53/98/05/393539805.db2.gz VBAYUEHHRPUHKJ-NSHDSACASA-N 1 1 290.363 3.366 20 5 CGBDMO CC1=C[C@H](C)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430266615 393552846 /nfs/dbraw/zinc/55/28/46/393552846.db2.gz DEDYKOFQNHYVLY-ZDUSSCGKSA-N 1 1 290.363 3.262 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000430284855 393558578 /nfs/dbraw/zinc/55/85/78/393558578.db2.gz POJDIKZABKEXKL-NSHDSACASA-N 1 1 276.336 3.001 20 5 CGBDMO CC1=C[C@H](C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000430271458 393554447 /nfs/dbraw/zinc/55/44/47/393554447.db2.gz XXXMTQFBAXOSHT-JTQLQIEISA-N 1 1 264.300 3.132 20 5 CGBDMO CC1=C[C@H](C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000430271458 393554452 /nfs/dbraw/zinc/55/44/52/393554452.db2.gz XXXMTQFBAXOSHT-JTQLQIEISA-N 1 1 264.300 3.132 20 5 CGBDMO C[C@H]1COc2ccccc2C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000359865482 393556104 /nfs/dbraw/zinc/55/61/04/393556104.db2.gz APIOIZZDDLEUBF-ZDUSSCGKSA-N 1 1 298.342 3.378 20 5 CGBDMO C[C@H]1COc2ccccc2C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000359865482 393556108 /nfs/dbraw/zinc/55/61/08/393556108.db2.gz APIOIZZDDLEUBF-ZDUSSCGKSA-N 1 1 298.342 3.378 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2CCOC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000359869494 393556995 /nfs/dbraw/zinc/55/69/95/393556995.db2.gz IMGXBONLNIIJRA-ZDUSSCGKSA-N 1 1 292.379 3.187 20 5 CGBDMO CC[C@@H]([NH2+][C@@H](CN)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423263742 393657296 /nfs/dbraw/zinc/65/72/96/393657296.db2.gz OUWQXTUPCOKTSK-UKRRQHHQSA-N 1 1 279.384 3.009 20 5 CGBDMO CC(C)[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000076064637 165110987 /nfs/dbraw/zinc/11/09/87/165110987.db2.gz ARKHAZWTVOKNHO-CQSZACIVSA-N 1 1 280.393 3.168 20 5 CGBDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000091100019 165257861 /nfs/dbraw/zinc/25/78/61/165257861.db2.gz ULQHSGTYITUGCP-LBPRGKRZSA-N 1 1 268.382 3.168 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000094659473 287122311 /nfs/dbraw/zinc/12/23/11/287122311.db2.gz MPFPUAGGOSMKJG-CYBMUJFWSA-N 1 1 277.368 3.045 20 5 CGBDMO CCCN1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000020190162 171056400 /nfs/dbraw/zinc/05/64/00/171056400.db2.gz BBCRLGQDOSMLFS-CYBMUJFWSA-N 1 1 291.395 3.120 20 5 CGBDMO CCN1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000038098010 174111793 /nfs/dbraw/zinc/11/17/93/174111793.db2.gz OJCUOIOSZFGUGM-CYBMUJFWSA-N 1 1 291.395 3.038 20 5 CGBDMO CSCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130233106 287348540 /nfs/dbraw/zinc/34/85/40/287348540.db2.gz SANRFANYEXHKTE-UHFFFAOYSA-N 1 1 280.393 3.312 20 5 CGBDMO CC(C)[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000042276719 270031968 /nfs/dbraw/zinc/03/19/68/270031968.db2.gz VXQFYXHRNSPMCX-LLVKDONJSA-N 1 1 297.786 3.390 20 5 CGBDMO CC(C)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000525308727 270119116 /nfs/dbraw/zinc/11/91/16/270119116.db2.gz VOVDBXZGGWSYTJ-AWEZNQCLSA-N 1 1 262.353 3.463 20 5 CGBDMO Cc1c(C[N@@H+]2CCc3ccc(O)cc3C2)cccc1[N+](=O)[O-] ZINC000532731115 270218823 /nfs/dbraw/zinc/21/88/23/270218823.db2.gz GEKWVSFGOVFFRR-UHFFFAOYSA-N 1 1 298.342 3.167 20 5 CGBDMO Cc1c(C[N@H+]2CCc3ccc(O)cc3C2)cccc1[N+](=O)[O-] ZINC000532731115 270218824 /nfs/dbraw/zinc/21/88/24/270218824.db2.gz GEKWVSFGOVFFRR-UHFFFAOYSA-N 1 1 298.342 3.167 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@@H]2C2CC2)c(F)c1 ZINC000449529435 275035300 /nfs/dbraw/zinc/03/53/00/275035300.db2.gz XCJMUOJZKSBVDO-CQSZACIVSA-N 1 1 296.367 3.061 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@@H]2C2CC2)c(F)c1 ZINC000449529435 275035301 /nfs/dbraw/zinc/03/53/01/275035301.db2.gz XCJMUOJZKSBVDO-CQSZACIVSA-N 1 1 296.367 3.061 20 5 CGBDMO CC[N@H+]1CC[C@H](N(C)c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000447073230 276225701 /nfs/dbraw/zinc/22/57/01/276225701.db2.gz SNBYMYDLCHPCSN-KBPBESRZSA-N 1 1 291.395 3.212 20 5 CGBDMO CC[N@H+]1CC[C@H](N(C)c2cc(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000301542178 276225878 /nfs/dbraw/zinc/22/58/78/276225878.db2.gz CPEZNIUOHIJIAQ-KBPBESRZSA-N 1 1 291.395 3.070 20 5 CGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000399562052 288052454 /nfs/dbraw/zinc/05/24/54/288052454.db2.gz LWNDTSBUTZOTRE-ZYHUDNBSSA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cncs1 ZINC000271839707 279499259 /nfs/dbraw/zinc/49/92/59/279499259.db2.gz VSUNOCQFEDWRSD-UWVGGRQHSA-N 1 1 277.349 3.463 20 5 CGBDMO CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000565923468 322097051 /nfs/dbraw/zinc/09/70/51/322097051.db2.gz RAPQCLRNRYWLBS-ZIAGYGMSSA-N 1 1 293.411 3.366 20 5 CGBDMO CCCN(CC)C[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000565923468 322097053 /nfs/dbraw/zinc/09/70/53/322097053.db2.gz RAPQCLRNRYWLBS-ZIAGYGMSSA-N 1 1 293.411 3.366 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1CNc1[nH+]cccc1C ZINC000182191625 335803218 /nfs/dbraw/zinc/80/32/18/335803218.db2.gz SQCXWABACQZGFD-UHFFFAOYSA-N 1 1 287.319 3.309 20 5 CGBDMO CCCC1CCC([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000362156471 528070382 /nfs/dbraw/zinc/07/03/82/528070382.db2.gz NFIIZJTYKXKPAZ-UHFFFAOYSA-N 1 1 294.399 3.082 20 5 CGBDMO CCC(N)(CC)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414804983 528949518 /nfs/dbraw/zinc/94/95/18/528949518.db2.gz FXSAYGKWCZKRPT-ZDUSSCGKSA-N 1 1 293.411 3.023 20 5 CGBDMO CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173406226 529004251 /nfs/dbraw/zinc/00/42/51/529004251.db2.gz VIOGIHQMPFVFOD-XJKSGUPXSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173406226 529004256 /nfs/dbraw/zinc/00/42/56/529004256.db2.gz VIOGIHQMPFVFOD-XJKSGUPXSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000746678350 572891414 /nfs/dbraw/zinc/89/14/14/572891414.db2.gz QBSRBVGVOHVEBG-JTQLQIEISA-N 1 1 266.316 3.354 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(C(F)F)CC2)cc1F ZINC000307884498 618108453 /nfs/dbraw/zinc/10/84/53/618108453.db2.gz QTQBZRWEQZCJQW-UHFFFAOYSA-N 1 1 288.269 3.211 20 5 CGBDMO Cc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cnc1F ZINC000893279782 619063183 /nfs/dbraw/zinc/06/31/83/619063183.db2.gz QSERZXDUMBXUOR-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CC(Cc2ccoc2)C1 ZINC000898160565 620484577 /nfs/dbraw/zinc/48/45/77/620484577.db2.gz JNYXBGNVFQMMMZ-HYXAFXHYSA-N 1 1 298.342 3.376 20 5 CGBDMO C[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000226106017 622945397 /nfs/dbraw/zinc/94/53/97/622945397.db2.gz LLLZJVURLAPMPM-SNVBAGLBSA-N 1 1 285.294 3.039 20 5 CGBDMO C[C@H]([N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC000774841049 628036985 /nfs/dbraw/zinc/03/69/85/628036985.db2.gz MTRQQRKSDHVHHD-JTQLQIEISA-N 1 1 295.339 3.369 20 5 CGBDMO C[N@@H+](CC[N+](=O)[O-])Cc1ccccc1-c1ccccc1 ZINC000791051641 629252850 /nfs/dbraw/zinc/25/28/50/629252850.db2.gz HNWNDNGMSQFJCB-UHFFFAOYSA-N 1 1 270.332 3.062 20 5 CGBDMO CN(CC[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1C(F)F ZINC000865681977 630349183 /nfs/dbraw/zinc/34/91/83/630349183.db2.gz CUMQJRGTDOYLQL-UHFFFAOYSA-N 1 1 299.321 3.063 20 5 CGBDMO CO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000824815088 633295449 /nfs/dbraw/zinc/29/54/49/633295449.db2.gz IHYTZWQGSKLJKX-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000824815088 633295457 /nfs/dbraw/zinc/29/54/57/633295457.db2.gz IHYTZWQGSKLJKX-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CF)C2)c(Cl)c1 ZINC000880299155 635969570 /nfs/dbraw/zinc/96/95/70/635969570.db2.gz PHFJHDYXGXLEOU-SECBINFHSA-N 1 1 272.707 3.040 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](CF)C2)c(Cl)c1 ZINC000880299155 635969574 /nfs/dbraw/zinc/96/95/74/635969574.db2.gz PHFJHDYXGXLEOU-SECBINFHSA-N 1 1 272.707 3.040 20 5 CGBDMO C[N@@H+](CCC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829947444 633812390 /nfs/dbraw/zinc/81/23/90/633812390.db2.gz YHZKBRBVMOUUKG-UHFFFAOYSA-N 1 1 295.339 3.371 20 5 CGBDMO CC/C=C\C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872075419 633998025 /nfs/dbraw/zinc/99/80/25/633998025.db2.gz RFKGRILSLWLBHA-UMCURTJPSA-N 1 1 252.289 3.351 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000831773220 633999838 /nfs/dbraw/zinc/99/98/38/633999838.db2.gz MDIWETKBWNGEOM-CQSZACIVSA-N 1 1 296.367 3.061 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000831773220 633999839 /nfs/dbraw/zinc/99/98/39/633999839.db2.gz MDIWETKBWNGEOM-CQSZACIVSA-N 1 1 296.367 3.061 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832468166 634062858 /nfs/dbraw/zinc/06/28/58/634062858.db2.gz FRZNWSIQUNDRMV-WOSRLPQWSA-N 1 1 292.379 3.139 20 5 CGBDMO C[C@H]1CCC(C)(C)[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000832566112 634073764 /nfs/dbraw/zinc/07/37/64/634073764.db2.gz ZMTALRZBBQZZMI-JTQLQIEISA-N 1 1 266.316 3.497 20 5 CGBDMO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)CO2 ZINC000873077451 634242446 /nfs/dbraw/zinc/24/24/46/634242446.db2.gz SRJJPYMPSMRRJX-OAHLLOKOSA-N 1 1 298.342 3.435 20 5 CGBDMO Cc1ccc(C[N@H+](Cc2ccncc2)C2CC2)cc1[N+](=O)[O-] ZINC000878309496 635452572 /nfs/dbraw/zinc/45/25/72/635452572.db2.gz OXAQFDHIXLAGOC-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1ccc(C[N@@H+](Cc2ccncc2)C2CC2)cc1[N+](=O)[O-] ZINC000878309496 635452576 /nfs/dbraw/zinc/45/25/76/635452576.db2.gz OXAQFDHIXLAGOC-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(F)CC2)c(Cl)c1 ZINC000880240343 635949154 /nfs/dbraw/zinc/94/91/54/635949154.db2.gz WEWIRRSZADGWTH-UHFFFAOYSA-N 1 1 272.707 3.182 20 5 CGBDMO CCCC[N@@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848475032 636579549 /nfs/dbraw/zinc/57/95/49/636579549.db2.gz JADCAORRAVVLKS-UHFFFAOYSA-N 1 1 288.351 3.148 20 5 CGBDMO CCc1ccc(NCc2csc([N+](=O)[O-])c2)[nH+]c1 ZINC000883384899 636727942 /nfs/dbraw/zinc/72/79/42/636727942.db2.gz AUXJALMDBRYGEU-UHFFFAOYSA-N 1 1 263.322 3.226 20 5 CGBDMO CC1CCC([N@@H+](C)Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885938141 637321696 /nfs/dbraw/zinc/32/16/96/637321696.db2.gz SZLAGNSCJUBXGS-UHFFFAOYSA-N 1 1 263.341 3.000 20 5 CGBDMO Cc1cccc([C@H]2CC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)c1 ZINC000886124833 637424940 /nfs/dbraw/zinc/42/49/40/637424940.db2.gz BWJLROMPQTVOHS-HNNXBMFYSA-N 1 1 297.358 3.288 20 5 CGBDMO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1C ZINC000886158096 637440653 /nfs/dbraw/zinc/44/06/53/637440653.db2.gz RFSKDAAKIXVIDI-TZMCWYRMSA-N 1 1 277.368 3.390 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886560277 637581093 /nfs/dbraw/zinc/58/10/93/637581093.db2.gz UEPJVEKEUCLZSV-PHIMTYICSA-N 1 1 298.795 3.043 20 5 CGBDMO C[N@@H+](CCCc1cccnc1)CCc1cccc([N+](=O)[O-])c1 ZINC000930353417 638992723 /nfs/dbraw/zinc/99/27/23/638992723.db2.gz KJHLKVHQEJINMB-UHFFFAOYSA-N 1 1 299.374 3.097 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000934339692 639589021 /nfs/dbraw/zinc/58/90/21/639589021.db2.gz UHUPMFJAIUKZPL-GWCFXTLKSA-N 1 1 264.300 3.108 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254474695 806412864 /nfs/dbraw/zinc/41/28/64/806412864.db2.gz SWDMXWIWLHXXLF-CYBMUJFWSA-N 1 1 291.395 3.294 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)(CF)C1 ZINC001254552762 806449467 /nfs/dbraw/zinc/44/94/67/806449467.db2.gz PADAQFIEMKMYOP-WFASDCNBSA-N 1 1 280.343 3.207 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cscn1 ZINC001254557834 806449664 /nfs/dbraw/zinc/44/96/64/806449664.db2.gz BZPBJUUAKUIIBI-NSHDSACASA-N 1 1 291.376 3.114 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cscn1 ZINC001254557834 806449667 /nfs/dbraw/zinc/44/96/67/806449667.db2.gz BZPBJUUAKUIIBI-NSHDSACASA-N 1 1 291.376 3.114 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CF)C1 ZINC001254563295 806450915 /nfs/dbraw/zinc/45/09/15/806450915.db2.gz WEMZUXNIHUEZFH-STQMWFEESA-N 1 1 280.343 3.207 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(C)(C)C1 ZINC001254562884 806451592 /nfs/dbraw/zinc/45/15/92/806451592.db2.gz QUAOXVDRALRSIO-LBPRGKRZSA-N 1 1 262.353 3.258 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CCc1ccncc1 ZINC001254563522 806451855 /nfs/dbraw/zinc/45/18/55/806451855.db2.gz XVUDRJYHNSRTRA-AWEZNQCLSA-N 1 1 299.374 3.095 20 5 CGBDMO C[C@@]1(F)CCCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254594985 806457104 /nfs/dbraw/zinc/45/71/04/806457104.db2.gz ULRWKXUOHVZHNO-HZPDHXFCSA-N 1 1 292.354 3.276 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000690391106 799775718 /nfs/dbraw/zinc/77/57/18/799775718.db2.gz JTYNJNBHMOVLAL-SNVBAGLBSA-N 1 1 281.331 3.019 20 5 CGBDMO CO[C@@H](C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000692278217 799793127 /nfs/dbraw/zinc/79/31/27/799793127.db2.gz LHRRTBDWCZYBIP-AWEZNQCLSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@@H](C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000692278217 799793129 /nfs/dbraw/zinc/79/31/29/799793129.db2.gz LHRRTBDWCZYBIP-AWEZNQCLSA-N 1 1 298.770 3.105 20 5 CGBDMO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000694909308 799823775 /nfs/dbraw/zinc/82/37/75/799823775.db2.gz BHECPACMVLQJBK-MNOVXSKESA-N 1 1 298.770 3.248 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000694909308 799823778 /nfs/dbraw/zinc/82/37/78/799823778.db2.gz BHECPACMVLQJBK-MNOVXSKESA-N 1 1 298.770 3.248 20 5 CGBDMO Cc1c(C[NH2+]Cc2cnc(Cl)s2)cccc1[N+](=O)[O-] ZINC000718813860 800224052 /nfs/dbraw/zinc/22/40/52/800224052.db2.gz CYMGPLSZLRAABL-UHFFFAOYSA-N 1 1 297.767 3.303 20 5 CGBDMO C[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC(C)(C)C1 ZINC000840163800 800496516 /nfs/dbraw/zinc/49/65/16/800496516.db2.gz KUTBWBQTKSHSEC-UHFFFAOYSA-N 1 1 288.351 3.022 20 5 CGBDMO CO[C@@H](C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001116938311 802431709 /nfs/dbraw/zinc/43/17/09/802431709.db2.gz OYXYABAQZDWHLU-KRWDZBQOSA-N 1 1 298.342 3.298 20 5 CGBDMO CO[C@@H](C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001116938311 802431713 /nfs/dbraw/zinc/43/17/13/802431713.db2.gz OYXYABAQZDWHLU-KRWDZBQOSA-N 1 1 298.342 3.298 20 5 CGBDMO C[N@H+]1CCC[C@@H](CCNc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001165278401 806984566 /nfs/dbraw/zinc/98/45/66/806984566.db2.gz GFCQRXLJTKWUGX-NSHDSACASA-N 1 1 297.786 3.392 20 5 CGBDMO COc1ccc(Nc2ccc3[nH+]c(C)cn3c2)c([N+](=O)[O-])c1 ZINC001248466392 804935819 /nfs/dbraw/zinc/93/58/19/804935819.db2.gz RANPTPCWZWQSAQ-UHFFFAOYSA-N 1 1 298.302 3.303 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001167487327 807199860 /nfs/dbraw/zinc/19/98/60/807199860.db2.gz KBWHIPALFRCCDF-MNOVXSKESA-N 1 1 266.316 3.354 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCSc3ccccc3C2)C1 ZINC001169046359 807558740 /nfs/dbraw/zinc/55/87/40/807558740.db2.gz KZXCAUPMLHXKAP-JSGCOSHPSA-N 1 1 292.404 3.040 20 5 CGBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC001170353806 807828857 /nfs/dbraw/zinc/82/88/57/807828857.db2.gz FHEGIECCKQNUTN-ZOWXZIJZSA-N 1 1 290.363 3.019 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001173221750 808540335 /nfs/dbraw/zinc/54/03/35/808540335.db2.gz LQDUWDHQQKZFRQ-BYCMXARLSA-N 1 1 298.333 3.298 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001173221750 808540344 /nfs/dbraw/zinc/54/03/44/808540344.db2.gz LQDUWDHQQKZFRQ-BYCMXARLSA-N 1 1 298.333 3.298 20 5 CGBDMO CC(=O)Nc1cc(Nc2ccc(/C=C/[N+](=O)[O-])cc2)cc[nH+]1 ZINC001175900706 809567998 /nfs/dbraw/zinc/56/79/98/809567998.db2.gz DBOHFWDYVDNEQN-VQHVLOKHSA-N 1 1 298.302 3.031 20 5 CGBDMO Cc1[nH]c(CNc2ccc3ncccc3c2[N+](=O)[O-])c(C)[nH+]1 ZINC001187662532 810413637 /nfs/dbraw/zinc/41/36/37/810413637.db2.gz FKSKFZSTGGFPTF-UHFFFAOYSA-N 1 1 297.318 3.095 20 5 CGBDMO Cc1ccc(Nc2c[nH+]c3ccccn23)c([N+](=O)[O-])c1 ZINC001214167240 815375292 /nfs/dbraw/zinc/37/52/92/815375292.db2.gz CEIYWDYKXUJPIX-UHFFFAOYSA-N 1 1 268.276 3.295 20 5 CGBDMO C[C@@H]1CC(C)(C)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001195195880 811224472 /nfs/dbraw/zinc/22/44/72/811224472.db2.gz JEUXFNQKMGGZCJ-GFCCVEGCSA-N 1 1 278.352 3.094 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC001195349799 811246297 /nfs/dbraw/zinc/24/62/97/811246297.db2.gz DEQKUUVFFJXQJY-VXGBXAGGSA-N 1 1 278.352 3.224 20 5 CGBDMO Cc1[nH+]c2ccccn2c1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001199815266 811600207 /nfs/dbraw/zinc/60/02/07/811600207.db2.gz YBSSZMVMDHRBEA-UHFFFAOYSA-N 1 1 284.275 3.000 20 5 CGBDMO Cc1ccc(CO[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC001223222604 816591040 /nfs/dbraw/zinc/59/10/40/816591040.db2.gz LKEYRKZHEHZCKS-FICVDOATSA-N 1 1 290.363 3.045 20 5 CGBDMO Cc1ccc(CO[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001223227100 816592093 /nfs/dbraw/zinc/59/20/93/816592093.db2.gz ZWNWLFWSSFNRSH-OAHLLOKOSA-N 1 1 292.379 3.293 20 5 CGBDMO C[C@@H](O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC001223430708 816629813 /nfs/dbraw/zinc/62/98/13/816629813.db2.gz PQNSHFNGDFYPJW-OEYIWLLWSA-N 1 1 290.363 3.298 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1CO[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001223535585 816646936 /nfs/dbraw/zinc/64/69/36/816646936.db2.gz NITJMCYPZDVONV-BTTYYORXSA-N 1 1 290.363 3.045 20 5 CGBDMO C[N@H+]1CCC[C@@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001226445470 817358753 /nfs/dbraw/zinc/35/87/53/817358753.db2.gz DKTCKSLDJCZHBS-CYBMUJFWSA-N 1 1 292.379 3.365 20 5 CGBDMO CC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC001459993908 928732685 /nfs/dbraw/zinc/73/26/85/928732685.db2.gz VSFIEXADKISIPH-QWRGUYRKSA-N 1 1 266.316 3.354 20 5 CGBDMO Cc1ccc(N2CC[N@H+](C)[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001458556705 937468730 /nfs/dbraw/zinc/46/87/30/937468730.db2.gz NCISSHJOIHHFPA-HNNXBMFYSA-N 1 1 291.395 3.070 20 5 CGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC001229962124 932511797 /nfs/dbraw/zinc/51/17/97/932511797.db2.gz ORPPGDXESXIOSB-PEGIJTEDSA-N 1 1 296.754 3.252 20 5 CGBDMO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001230723939 932614971 /nfs/dbraw/zinc/61/49/71/932614971.db2.gz QQHCQOSVNSGBKS-WDNDVIMCSA-N 1 1 290.363 3.216 20 5 CGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC(C)(C)CCC1(C)C ZINC001307945989 933023946 /nfs/dbraw/zinc/02/39/46/933023946.db2.gz TUVXQCIMPSLZNC-UHFFFAOYSA-N 1 1 294.399 3.000 20 5 CGBDMO CC1(C)[C@H](c2ccccc2Cl)CC[N@H+]1CC[N+](=O)[O-] ZINC001308037019 933039470 /nfs/dbraw/zinc/03/94/70/933039470.db2.gz XOPAEDKJRUXHNZ-LBPRGKRZSA-N 1 1 282.771 3.185 20 5 CGBDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC001318854776 933787522 /nfs/dbraw/zinc/78/75/22/933787522.db2.gz OKYYCKGTFULXJF-WDEREUQCSA-N 1 1 286.422 3.372 20 5 CGBDMO C[C@H](N[C@@H]1CCCC[C@@H]1[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC001319383918 933865059 /nfs/dbraw/zinc/86/50/59/933865059.db2.gz PAYXOIPCKOCGJR-MAZHCROVSA-N 1 1 291.395 3.118 20 5 CGBDMO CC[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2C)C1 ZINC001333671982 935559697 /nfs/dbraw/zinc/55/96/97/935559697.db2.gz SXMSXCSGDGLDAQ-ZDUSSCGKSA-N 1 1 277.368 3.047 20 5 CGBDMO CC[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001559769406 938235268 /nfs/dbraw/zinc/23/52/68/938235268.db2.gz OCGNKFNXZLRLPX-OLZOCXBDSA-N 1 1 278.352 3.094 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(C2CC2)CC1 ZINC000590006655 346821886 /nfs/dbraw/zinc/82/18/86/346821886.db2.gz LVIQOZRGKXOBDI-UHFFFAOYSA-N 1 1 278.327 3.356 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(CF)CC1 ZINC000294973786 199277984 /nfs/dbraw/zinc/27/79/84/199277984.db2.gz FZKXIPYNQMDSPC-UHFFFAOYSA-N 1 1 286.734 3.430 20 5 CGBDMO COCc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000125762612 187199087 /nfs/dbraw/zinc/19/90/87/187199087.db2.gz OYEUTZVTZRCMEB-LLVKDONJSA-N 1 1 290.319 3.185 20 5 CGBDMO CCC[C@H](N[C@@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000591578224 346930297 /nfs/dbraw/zinc/93/02/97/346930297.db2.gz BMKKNVAKNGLJJB-ZBFHGGJFSA-N 1 1 291.395 3.168 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(F)cc2F)cc1 ZINC000037668239 344952165 /nfs/dbraw/zinc/95/21/65/344952165.db2.gz VFWHDBJRNYUPDQ-UHFFFAOYSA-N 1 1 278.258 3.163 20 5 CGBDMO Cc1c(C[NH2+]Cc2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000051017421 345086195 /nfs/dbraw/zinc/08/61/95/345086195.db2.gz KLJNHBAEMQKLHI-UHFFFAOYSA-N 1 1 292.285 3.471 20 5 CGBDMO CCC[N@H+]1CC[C@H](CNc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088702897 345763121 /nfs/dbraw/zinc/76/31/21/345763121.db2.gz JGBNWDLOIIWECF-CYBMUJFWSA-N 1 1 277.368 3.047 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177538517 232369896 /nfs/dbraw/zinc/36/98/96/232369896.db2.gz RCXRPVUPTCJMGG-TXEJJXNPSA-N 1 1 278.327 3.356 20 5 CGBDMO C[N@@H+](CCCNc1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000159322521 346166650 /nfs/dbraw/zinc/16/66/50/346166650.db2.gz YEOIIEZVGOCHKG-UHFFFAOYSA-N 1 1 292.383 3.056 20 5 CGBDMO CC(C)CC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000171630400 346209195 /nfs/dbraw/zinc/20/91/95/346209195.db2.gz KHSRGYOXNMRFEP-UHFFFAOYSA-N 1 1 254.305 3.212 20 5 CGBDMO CC(C)CC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000171630400 346209200 /nfs/dbraw/zinc/20/92/00/346209200.db2.gz KHSRGYOXNMRFEP-UHFFFAOYSA-N 1 1 254.305 3.212 20 5 CGBDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC000584728159 346710326 /nfs/dbraw/zinc/71/03/26/346710326.db2.gz DDYCQHZWEXZCHX-CQSZACIVSA-N 1 1 297.358 3.288 20 5 CGBDMO Cc1noc(C[NH2+][C@H](c2ccccc2)C2CC2)c1[N+](=O)[O-] ZINC000595419878 347301022 /nfs/dbraw/zinc/30/10/22/347301022.db2.gz AKWHKZPZVDMEBK-CQSZACIVSA-N 1 1 287.319 3.132 20 5 CGBDMO Cc1c([C@@H](C)[NH2+][C@H](C)c2nccn2C)cccc1[N+](=O)[O-] ZINC000595109920 347285108 /nfs/dbraw/zinc/28/51/08/347285108.db2.gz WZNHRVLMAYBVQA-VXGBXAGGSA-N 1 1 288.351 3.049 20 5 CGBDMO Cc1noc(C[N@H+]2CCC[C@@H]2C2CCCCC2)c1[N+](=O)[O-] ZINC000595298859 347289128 /nfs/dbraw/zinc/28/91/28/347289128.db2.gz UIABOBOWQNRYJD-CYBMUJFWSA-N 1 1 293.367 3.436 20 5 CGBDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595329930 347293123 /nfs/dbraw/zinc/29/31/23/347293123.db2.gz YQAPYPFZTHIPPG-PWSUYJOCSA-N 1 1 281.356 3.292 20 5 CGBDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595386756 347297684 /nfs/dbraw/zinc/29/76/84/347297684.db2.gz RJMROGYQPCEVNU-CMPLNLGQSA-N 1 1 281.356 3.292 20 5 CGBDMO Cc1noc(C[N@H+]2CCCC23CCCCC3)c1[N+](=O)[O-] ZINC000595394108 347298472 /nfs/dbraw/zinc/29/84/72/347298472.db2.gz DEJZAPNACXMSFF-UHFFFAOYSA-N 1 1 279.340 3.190 20 5 CGBDMO CCC[N@@H+]1CC[C@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000595096895 347283159 /nfs/dbraw/zinc/28/31/59/347283159.db2.gz NSMPVXNAFZXTSH-KGLIPLIRSA-N 1 1 291.395 3.038 20 5 CGBDMO CCC[N@H+]1CC[C@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000595096895 347283161 /nfs/dbraw/zinc/28/31/61/347283161.db2.gz NSMPVXNAFZXTSH-KGLIPLIRSA-N 1 1 291.395 3.038 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595616415 347328324 /nfs/dbraw/zinc/32/83/24/347328324.db2.gz BUVRCKGZFHSSMA-LRDDRELGSA-N 1 1 290.363 3.157 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595616415 347328328 /nfs/dbraw/zinc/32/83/28/347328328.db2.gz BUVRCKGZFHSSMA-LRDDRELGSA-N 1 1 290.363 3.157 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000595755012 347350503 /nfs/dbraw/zinc/35/05/03/347350503.db2.gz DYANTAUYSCFVAO-LBPRGKRZSA-N 1 1 266.316 3.166 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595807032 347357551 /nfs/dbraw/zinc/35/75/51/347357551.db2.gz HBRUOIUXCCVKIT-MWLCHTKSSA-N 1 1 266.728 3.090 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595807032 347357552 /nfs/dbraw/zinc/35/75/52/347357552.db2.gz HBRUOIUXCCVKIT-MWLCHTKSSA-N 1 1 266.728 3.090 20 5 CGBDMO CC[C@@H](C)[N@@H+](CC)CCOc1ccccc1[N+](=O)[O-] ZINC000595592535 347322776 /nfs/dbraw/zinc/32/27/76/347322776.db2.gz FMWCBGAMNNPEKP-GFCCVEGCSA-N 1 1 266.341 3.094 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000596308742 347414135 /nfs/dbraw/zinc/41/41/35/347414135.db2.gz MRWMDCOKHKMXII-SNVBAGLBSA-N 1 1 281.331 3.019 20 5 CGBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2cc(C)sc2[N+](=O)[O-])C1 ZINC000596141272 347388945 /nfs/dbraw/zinc/38/89/45/347388945.db2.gz HSUVNWDYCZDFLP-LBPRGKRZSA-N 1 1 297.424 3.133 20 5 CGBDMO Cc1cc(N[C@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596335109 347421783 /nfs/dbraw/zinc/42/17/83/347421783.db2.gz DXTUQRMDQWPFHN-ZDUSSCGKSA-N 1 1 277.368 3.188 20 5 CGBDMO CC[C@H](NCC[C@@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000596654002 347499046 /nfs/dbraw/zinc/49/90/46/347499046.db2.gz NGQGGWCDZFJYCT-CABCVRRESA-N 1 1 279.384 3.009 20 5 CGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000596571273 347480975 /nfs/dbraw/zinc/48/09/75/347480975.db2.gz RXBLAOSOSKXRQQ-AWEZNQCLSA-N 1 1 289.379 3.129 20 5 CGBDMO CCC(O)(CC)C[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000599673431 347763797 /nfs/dbraw/zinc/76/37/97/347763797.db2.gz OALJWMMGQPPOLW-GFCCVEGCSA-N 1 1 280.368 3.139 20 5 CGBDMO C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000602020087 347934363 /nfs/dbraw/zinc/93/43/63/347934363.db2.gz HUDWZXTUWOJWAF-TZMCWYRMSA-N 1 1 291.395 3.024 20 5 CGBDMO Cc1c(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000603836667 348097489 /nfs/dbraw/zinc/09/74/89/348097489.db2.gz XUDJZZDCRHVWLL-TXEJJXNPSA-N 1 1 262.353 3.381 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000611502099 348457041 /nfs/dbraw/zinc/45/70/41/348457041.db2.gz NBTNCEXCMJLYAK-MFKMUULPSA-N 1 1 266.316 3.083 20 5 CGBDMO Cc1c(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000611502099 348457043 /nfs/dbraw/zinc/45/70/43/348457043.db2.gz NBTNCEXCMJLYAK-MFKMUULPSA-N 1 1 266.316 3.083 20 5 CGBDMO Cc1ccoc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271604890 191236780 /nfs/dbraw/zinc/23/67/80/191236780.db2.gz ALYPGCPXKSCFCV-LLVKDONJSA-N 1 1 260.293 3.347 20 5 CGBDMO COC1(C)CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000271728547 191294746 /nfs/dbraw/zinc/29/47/46/191294746.db2.gz MKYZZKJTAIMFLV-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000412046816 235116486 /nfs/dbraw/zinc/11/64/86/235116486.db2.gz RQCKLKZPWPHQHF-JTQLQIEISA-N 1 1 288.351 3.092 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1NCCCC[N@H+](C)C1CC1 ZINC000413349089 235270736 /nfs/dbraw/zinc/27/07/36/235270736.db2.gz QLGDHALIOKPBMK-UHFFFAOYSA-N 1 1 277.368 3.190 20 5 CGBDMO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccn(C)n2)cccc1[N+](=O)[O-] ZINC000414168910 235352444 /nfs/dbraw/zinc/35/24/44/235352444.db2.gz AQIRNVNMBSVVFJ-VXGBXAGGSA-N 1 1 288.351 3.049 20 5 CGBDMO Cc1c(C[N@H+]2CCC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000123569555 138368008 /nfs/dbraw/zinc/36/80/08/138368008.db2.gz ZOQDYFPNKPZDOT-UHFFFAOYSA-N 1 1 260.337 3.279 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC3(CCC3)C2)cc1 ZINC000123608891 138368517 /nfs/dbraw/zinc/36/85/17/138368517.db2.gz WJLKYFCCNGCPGB-UHFFFAOYSA-N 1 1 260.337 3.013 20 5 CGBDMO CCC(C)(C)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000512270012 535355338 /nfs/dbraw/zinc/35/53/38/535355338.db2.gz LRASIIJUUGCJLI-UHFFFAOYSA-N 1 1 266.341 3.094 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)C(C)C ZINC000341810291 216114141 /nfs/dbraw/zinc/11/41/41/216114141.db2.gz QUQICFSASUMVHF-NSHDSACASA-N 1 1 266.341 3.080 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@]12CCOC2 ZINC000341955865 216166567 /nfs/dbraw/zinc/16/65/67/216166567.db2.gz AFXXEGSFZQPTAP-CQSZACIVSA-N 1 1 296.754 3.003 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@]12CCOC2 ZINC000341955865 216166569 /nfs/dbraw/zinc/16/65/69/216166569.db2.gz AFXXEGSFZQPTAP-CQSZACIVSA-N 1 1 296.754 3.003 20 5 CGBDMO C[C@@H]1CCCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000481600295 243199498 /nfs/dbraw/zinc/19/94/98/243199498.db2.gz YSYKHNVOFQKSNJ-CYBMUJFWSA-N 1 1 278.352 3.096 20 5 CGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000481404991 243193536 /nfs/dbraw/zinc/19/35/36/243193536.db2.gz SNTHYFNNWAPWLY-CHWSQXEVSA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1CCCNCc1csc([N+](=O)[O-])c1 ZINC000037562460 369088776 /nfs/dbraw/zinc/08/87/76/369088776.db2.gz MMJSWOSUNPGPDW-GFCCVEGCSA-N 1 1 297.424 3.010 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000050443420 369439565 /nfs/dbraw/zinc/43/95/65/369439565.db2.gz HXBDHOXYCPNBKG-SNVBAGLBSA-N 1 1 291.738 3.494 20 5 CGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000097473084 370242885 /nfs/dbraw/zinc/24/28/85/370242885.db2.gz BMSPBHGTXQQMRM-UHFFFAOYSA-N 1 1 288.322 3.408 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCc1ccccn1)C1CC1 ZINC000135237291 371404809 /nfs/dbraw/zinc/40/48/09/371404809.db2.gz LEQMHNHTBSFWRV-UHFFFAOYSA-N 1 1 297.358 3.197 20 5 CGBDMO CC[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000151707342 371628076 /nfs/dbraw/zinc/62/80/76/371628076.db2.gz NHNRPLDJPAMHEM-ZFWWWQNUSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[C@@]1(O)CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000428431373 372197490 /nfs/dbraw/zinc/19/74/90/372197490.db2.gz SPICHVKVPCAKGB-MRXNPFEDSA-N 1 1 292.379 3.065 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000428452034 372205220 /nfs/dbraw/zinc/20/52/20/372205220.db2.gz IRQVDMVVROQQED-ZIAGYGMSSA-N 1 1 260.337 3.278 20 5 CGBDMO CC(C)[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000293361060 372364750 /nfs/dbraw/zinc/36/47/50/372364750.db2.gz ZYLMLZFPSNERAX-CJNGLKHVSA-N 1 1 292.379 3.403 20 5 CGBDMO Cc1ccc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000298706088 373387171 /nfs/dbraw/zinc/38/71/71/373387171.db2.gz JCGYRCSSTFPBSH-UHFFFAOYSA-N 1 1 274.320 3.171 20 5 CGBDMO CC[N@H+]1CC[C@@H](N(C)c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000447073232 373401074 /nfs/dbraw/zinc/40/10/74/373401074.db2.gz SNBYMYDLCHPCSN-UONOGXRCSA-N 1 1 291.395 3.212 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)CC1CC1 ZINC000175225076 373433988 /nfs/dbraw/zinc/43/39/88/373433988.db2.gz POPCOALSGDXLJF-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO C[C@H]([N@@H+](C)Cc1csc([N+](=O)[O-])c1)C1(C)CC1 ZINC000177221353 373665894 /nfs/dbraw/zinc/66/58/94/373665894.db2.gz XZEQZWXUXQTYTJ-VIFPVBQESA-N 1 1 254.355 3.277 20 5 CGBDMO COC[C@@H](C)[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000179370204 373862057 /nfs/dbraw/zinc/86/20/57/373862057.db2.gz XOMFWUKVPCJDKY-GFCCVEGCSA-N 1 1 280.368 3.185 20 5 CGBDMO CC[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182330380 374258476 /nfs/dbraw/zinc/25/84/76/374258476.db2.gz RHTAPYLLLDJMTL-VIFPVBQESA-N 1 1 256.733 3.479 20 5 CGBDMO CCc1ncc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)o1 ZINC000453355516 374445174 /nfs/dbraw/zinc/44/51/74/374445174.db2.gz DDDHDPXGMQYONB-NSHDSACASA-N 1 1 289.335 3.304 20 5 CGBDMO CCC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000184200234 374504566 /nfs/dbraw/zinc/50/45/66/374504566.db2.gz GVTCPVNPUZJSIT-UHFFFAOYSA-N 1 1 282.315 3.117 20 5 CGBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331544987 374541072 /nfs/dbraw/zinc/54/10/72/374541072.db2.gz SOPHVQSQQZYUBU-QWRGUYRKSA-N 1 1 288.351 3.092 20 5 CGBDMO CC1(C)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332202833 374560038 /nfs/dbraw/zinc/56/00/38/374560038.db2.gz DOVQYUGYZSPNKC-UHFFFAOYSA-N 1 1 288.351 3.093 20 5 CGBDMO CC1(C)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332202833 374560042 /nfs/dbraw/zinc/56/00/42/374560042.db2.gz DOVQYUGYZSPNKC-UHFFFAOYSA-N 1 1 288.351 3.093 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000464813158 374903823 /nfs/dbraw/zinc/90/38/23/374903823.db2.gz HMJNKRSLMYTGGE-OLZOCXBDSA-N 1 1 262.353 3.258 20 5 CGBDMO CC(C)[N@@H+](CC[C@@H]1CCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000188879278 375285926 /nfs/dbraw/zinc/28/59/26/375285926.db2.gz GJVPOBDQODVWGC-INIZCTEOSA-N 1 1 292.379 3.374 20 5 CGBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC1CC1 ZINC000193576546 375894931 /nfs/dbraw/zinc/89/49/31/375894931.db2.gz XRXANMPIPLCIEN-UHFFFAOYSA-N 1 1 293.323 3.125 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2CCC=CO2)C2CC2)cc1 ZINC000193701895 375912207 /nfs/dbraw/zinc/91/22/07/375912207.db2.gz QDVYUPBJHIUHKZ-INIZCTEOSA-N 1 1 288.347 3.252 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC(C)(C)C ZINC000336792645 375941357 /nfs/dbraw/zinc/94/13/57/375941357.db2.gz SWMRXWRERNKRRF-UHFFFAOYSA-N 1 1 254.305 3.212 20 5 CGBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000195666906 376117244 /nfs/dbraw/zinc/11/72/44/376117244.db2.gz ANHYXAXCQSCWBR-CHWSQXEVSA-N 1 1 277.368 3.127 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000538956019 376281568 /nfs/dbraw/zinc/28/15/68/376281568.db2.gz HGRWLWMWSYTXGY-GXTWGEPZSA-N 1 1 262.353 3.400 20 5 CGBDMO CC[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000224114073 376272694 /nfs/dbraw/zinc/27/26/94/376272694.db2.gz PXIVNDMNFXNQQC-NOLJZWGESA-N 1 1 291.395 3.118 20 5 CGBDMO CC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000224114073 376272697 /nfs/dbraw/zinc/27/26/97/376272697.db2.gz PXIVNDMNFXNQQC-NOLJZWGESA-N 1 1 291.395 3.118 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000541389482 376444646 /nfs/dbraw/zinc/44/46/46/376444646.db2.gz KYALGXSUSBVSGR-CYBMUJFWSA-N 1 1 292.379 3.471 20 5 CGBDMO CC[C@H](C)[N@@H+](C)CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000230142520 376486884 /nfs/dbraw/zinc/48/68/84/376486884.db2.gz BINPNMYDNZFSNE-NSHDSACASA-N 1 1 299.802 3.068 20 5 CGBDMO Cc1c(C[NH2+][C@H](C)c2ccc(F)cn2)cccc1[N+](=O)[O-] ZINC000231883554 376574984 /nfs/dbraw/zinc/57/49/84/376574984.db2.gz KHPOFXJJCFRUAR-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339680874 376805951 /nfs/dbraw/zinc/80/59/51/376805951.db2.gz YGUZGJJXZYVKGU-ZDUSSCGKSA-N 1 1 260.337 3.217 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000245960840 376945240 /nfs/dbraw/zinc/94/52/40/376945240.db2.gz UUYWMEVFGKVORU-VHSXEESVSA-N 1 1 254.355 3.134 20 5 CGBDMO CC[C@H](C)[N@@H+](C)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000247089066 377158521 /nfs/dbraw/zinc/15/85/21/377158521.db2.gz RMHMTGNPPLNAQD-UONOGXRCSA-N 1 1 293.411 3.284 20 5 CGBDMO CC[C@H](C)N(C)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000247089066 377158526 /nfs/dbraw/zinc/15/85/26/377158526.db2.gz RMHMTGNPPLNAQD-UONOGXRCSA-N 1 1 293.411 3.284 20 5 CGBDMO CC[N@@H+]1CCC[C@H]1CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000248034778 377261510 /nfs/dbraw/zinc/26/15/10/377261510.db2.gz RIZXHGOZSJXLHS-KGLIPLIRSA-N 1 1 291.395 3.038 20 5 CGBDMO CC[N@H+]1CCC[C@H]1CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000248034778 377261519 /nfs/dbraw/zinc/26/15/19/377261519.db2.gz RIZXHGOZSJXLHS-KGLIPLIRSA-N 1 1 291.395 3.038 20 5 CGBDMO CO[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000251778725 377597541 /nfs/dbraw/zinc/59/75/41/377597541.db2.gz LHALNULAHODFQC-IINYFYTJSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000251778725 377597546 /nfs/dbraw/zinc/59/75/46/377597546.db2.gz LHALNULAHODFQC-IINYFYTJSA-N 1 1 298.770 3.105 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342591046 377677614 /nfs/dbraw/zinc/67/76/14/377677614.db2.gz DFTISGQFBWNHSN-STQMWFEESA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCCC[C@H]1CCO ZINC000342819021 377817358 /nfs/dbraw/zinc/81/73/58/377817358.db2.gz WDJPIORNGWHZSI-HNNXBMFYSA-N 1 1 292.379 3.030 20 5 CGBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC[C@@H]1CCCO1 ZINC000343476676 377992416 /nfs/dbraw/zinc/99/24/16/377992416.db2.gz VLCJEULYUXDCEL-QZDDGCDVSA-N 1 1 290.363 3.109 20 5 CGBDMO Cc1c([C@H](C)NCCC[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000268775388 378107572 /nfs/dbraw/zinc/10/75/72/378107572.db2.gz RMJDOLFERWOPEY-AWEZNQCLSA-N 1 1 293.411 3.284 20 5 CGBDMO CC[N@@H+](CC(C)(C)O)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000272299316 378607545 /nfs/dbraw/zinc/60/75/45/378607545.db2.gz IJTFOVGICWDLPU-LBPRGKRZSA-N 1 1 280.368 3.057 20 5 CGBDMO CC1(C)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000279762956 379509145 /nfs/dbraw/zinc/50/91/45/379509145.db2.gz RQABNESZUGQOPZ-UHFFFAOYSA-N 1 1 280.393 3.312 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000280543661 379729012 /nfs/dbraw/zinc/72/90/12/379729012.db2.gz STXMIWRAULKXGO-HIFRSBDPSA-N 1 1 292.379 3.029 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000280543658 379729069 /nfs/dbraw/zinc/72/90/69/379729069.db2.gz STXMIWRAULKXGO-DZGCQCFKSA-N 1 1 292.379 3.029 20 5 CGBDMO CO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000282282039 379889022 /nfs/dbraw/zinc/88/90/22/379889022.db2.gz IHXQRPKGXHRMFN-GXFFZTMASA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000282282039 379889028 /nfs/dbraw/zinc/88/90/28/379889028.db2.gz IHXQRPKGXHRMFN-GXFFZTMASA-N 1 1 298.770 3.248 20 5 CGBDMO CCC[N@@H+](CC)C[C@@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000353123510 380127644 /nfs/dbraw/zinc/12/76/44/380127644.db2.gz QAPZLHAYNQLOAV-CQSZACIVSA-N 1 1 293.411 3.113 20 5 CGBDMO CCCN(CC)C[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000353123510 380127651 /nfs/dbraw/zinc/12/76/51/380127651.db2.gz QAPZLHAYNQLOAV-CQSZACIVSA-N 1 1 293.411 3.113 20 5 CGBDMO Cc1ccnc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000286295190 380191339 /nfs/dbraw/zinc/19/13/39/380191339.db2.gz WKQUDVZQYZHBJB-GFCCVEGCSA-N 1 1 271.320 3.149 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)C1CCC1 ZINC000357045132 381008894 /nfs/dbraw/zinc/00/88/94/381008894.db2.gz UBWWBGAHDRYDGX-LLVKDONJSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000359850736 381372701 /nfs/dbraw/zinc/37/27/01/381372701.db2.gz RQTHIHAIWLCCSY-CYBMUJFWSA-N 1 1 298.342 3.378 20 5 CGBDMO C[C@@H]1COc2ccccc2C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000359850736 381372706 /nfs/dbraw/zinc/37/27/06/381372706.db2.gz RQTHIHAIWLCCSY-CYBMUJFWSA-N 1 1 298.342 3.378 20 5 CGBDMO O=[N+]([O-])c1ccccc1CNc1cc(C2CC2)cc[nH+]1 ZINC000289424818 197339632 /nfs/dbraw/zinc/33/96/32/197339632.db2.gz CBLMVFGUOWIOIU-UHFFFAOYSA-N 1 1 269.304 3.479 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000359639231 533461440 /nfs/dbraw/zinc/46/14/40/533461440.db2.gz UQWREEPFRQNOBK-SNVBAGLBSA-N 1 1 291.738 3.494 20 5 CGBDMO CSCCC[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000439480410 533562406 /nfs/dbraw/zinc/56/24/06/533562406.db2.gz XRERBOOUTPCPQA-UHFFFAOYSA-N 1 1 298.408 3.049 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(C(F)F)CC1 ZINC000361693324 392298428 /nfs/dbraw/zinc/29/84/28/392298428.db2.gz RLZJUGYGPSZLQZ-UHFFFAOYSA-N 1 1 288.269 3.211 20 5 CGBDMO CCc1[nH+]ccn1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000108658224 392346927 /nfs/dbraw/zinc/34/69/27/392346927.db2.gz DPGGWYZJPBICFM-UHFFFAOYSA-N 1 1 265.700 3.055 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC23CCC3)c([N+](=O)[O-])c1 ZINC000375334098 392768520 /nfs/dbraw/zinc/76/85/20/392768520.db2.gz BNUPIMWLPQXOPT-UHFFFAOYSA-N 1 1 291.307 3.022 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505800556 392699174 /nfs/dbraw/zinc/69/91/74/392699174.db2.gz CLFDJXFDNICJFT-NSHDSACASA-N 1 1 266.316 3.356 20 5 CGBDMO Cc1cc(N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc(C)[nH+]1 ZINC000189479088 392805983 /nfs/dbraw/zinc/80/59/83/392805983.db2.gz DABYRUIPFQGWQQ-NSHDSACASA-N 1 1 286.335 3.483 20 5 CGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000466910188 393067854 /nfs/dbraw/zinc/06/78/54/393067854.db2.gz DMEQMUUCCULYCT-TZMCWYRMSA-N 1 1 262.353 3.258 20 5 CGBDMO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc([N+](=O)[O-])cc1 ZINC000271546490 393251659 /nfs/dbraw/zinc/25/16/59/393251659.db2.gz UIHOXTDKKIKMGO-HZMBPMFUSA-N 1 1 286.335 3.046 20 5 CGBDMO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc([N+](=O)[O-])cc1 ZINC000271546490 393251662 /nfs/dbraw/zinc/25/16/62/393251662.db2.gz UIHOXTDKKIKMGO-HZMBPMFUSA-N 1 1 286.335 3.046 20 5 CGBDMO Cc1c(C[N@@H+]2CCSCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000429766302 393501072 /nfs/dbraw/zinc/50/10/72/393501072.db2.gz MQRHVBLIBRWKLD-LLVKDONJSA-N 1 1 280.393 3.231 20 5 CGBDMO C[C@H](Cc1[nH]cc[nH+]1)OCc1c(Cl)cccc1[N+](=O)[O-] ZINC000488715863 393547541 /nfs/dbraw/zinc/54/75/41/393547541.db2.gz BPAYYIIFECZKJL-SECBINFHSA-N 1 1 295.726 3.119 20 5 CGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000490013471 393625637 /nfs/dbraw/zinc/62/56/37/393625637.db2.gz MERIIWLTGFBXCO-YPMHNXCESA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000548754856 289021105 /nfs/dbraw/zinc/02/11/05/289021105.db2.gz SCEQACAPECYKTR-RKDXNWHRSA-N 1 1 254.717 3.231 20 5 CGBDMO CC[C@H]([NH2+][C@H](C)c1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000090918608 165246958 /nfs/dbraw/zinc/24/69/58/165246958.db2.gz UYUGOPBWYQCGPJ-RISCZKNCSA-N 1 1 286.335 3.187 20 5 CGBDMO CC[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000093502055 287117078 /nfs/dbraw/zinc/11/70/78/287117078.db2.gz HNNTWYCVSLFPLH-HZRUHFOJSA-N 1 1 292.404 3.435 20 5 CGBDMO CCOC1CC2(C1)CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000285618720 196345508 /nfs/dbraw/zinc/34/55/08/196345508.db2.gz XYBVCIBGIUIWMR-UHFFFAOYSA-N 1 1 296.392 3.047 20 5 CGBDMO CCOC1CC2(C1)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000285618720 196345510 /nfs/dbraw/zinc/34/55/10/196345510.db2.gz XYBVCIBGIUIWMR-UHFFFAOYSA-N 1 1 296.392 3.047 20 5 CGBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000037174781 173009899 /nfs/dbraw/zinc/00/98/99/173009899.db2.gz GLMCKDPVZNAUPO-SNVBAGLBSA-N 1 1 286.784 3.186 20 5 CGBDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000185637996 270063597 /nfs/dbraw/zinc/06/35/97/270063597.db2.gz NJHLZAGBAKXBAD-MFKMUULPSA-N 1 1 266.316 3.354 20 5 CGBDMO CC(C)(C)[C@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000525275364 270118674 /nfs/dbraw/zinc/11/86/74/270118674.db2.gz XVWJTYBUETVAIV-OAHLLOKOSA-N 1 1 292.379 3.484 20 5 CGBDMO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)CC1CCCCC1 ZINC000355542179 276001097 /nfs/dbraw/zinc/00/10/97/276001097.db2.gz KAPVHPUBPVYBLC-UHFFFAOYSA-N 1 1 294.399 3.121 20 5 CGBDMO CC(C)c1ccc(C[N@@H+]2CC[C@@]23CCOC3)cc1[N+](=O)[O-] ZINC000421400791 276053008 /nfs/dbraw/zinc/05/30/08/276053008.db2.gz SDLFTCPKTJULNE-INIZCTEOSA-N 1 1 290.363 3.083 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2CC[C@@]23CCOC3)cc1[N+](=O)[O-] ZINC000421400791 276053009 /nfs/dbraw/zinc/05/30/09/276053009.db2.gz SDLFTCPKTJULNE-INIZCTEOSA-N 1 1 290.363 3.083 20 5 CGBDMO CC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020092020 276187213 /nfs/dbraw/zinc/18/72/13/276187213.db2.gz ZWWVKQMWDQDUAN-ZFWWWQNUSA-N 1 1 291.395 3.038 20 5 CGBDMO CC[N@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020092020 276187214 /nfs/dbraw/zinc/18/72/14/276187214.db2.gz ZWWVKQMWDQDUAN-ZFWWWQNUSA-N 1 1 291.395 3.038 20 5 CGBDMO CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(F)F ZINC000449361922 276591517 /nfs/dbraw/zinc/59/15/17/276591517.db2.gz LTJIXNOPMRZMNX-KOLCDFICSA-N 1 1 272.295 3.159 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000182662814 281019796 /nfs/dbraw/zinc/01/97/96/281019796.db2.gz AKJYZTBPUOEGGE-OCCSQVGLSA-N 1 1 278.352 3.075 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451195947 281021439 /nfs/dbraw/zinc/02/14/39/281021439.db2.gz MNJPROMQMCFLFO-WDEREUQCSA-N 1 1 252.289 3.008 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451195947 281021442 /nfs/dbraw/zinc/02/14/42/281021442.db2.gz MNJPROMQMCFLFO-WDEREUQCSA-N 1 1 252.289 3.008 20 5 CGBDMO CCc1cc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)on1 ZINC000531721008 288342693 /nfs/dbraw/zinc/34/26/93/288342693.db2.gz MYSUQPWTDJFWML-HNNXBMFYSA-N 1 1 289.335 3.386 20 5 CGBDMO C[C@@H]1Cc2c([nH+]cn2Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000386323949 336171018 /nfs/dbraw/zinc/17/10/18/336171018.db2.gz GCEPTTPMLSIULG-NWDGAFQWSA-N 1 1 285.347 3.210 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCS[C@H](C)C1 ZINC000171696744 534095331 /nfs/dbraw/zinc/09/53/31/534095331.db2.gz CYMQGKSDNCSLPS-MNOVXSKESA-N 1 1 266.366 3.093 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCOCC1CC1 ZINC000158620311 534095484 /nfs/dbraw/zinc/09/54/84/534095484.db2.gz CKNPGTSYJXKYHN-LBPRGKRZSA-N 1 1 278.352 3.014 20 5 CGBDMO CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000161202628 521602403 /nfs/dbraw/zinc/60/24/03/521602403.db2.gz XATXJABEOLYQLL-BBRMVZONSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[N@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000161202628 521602410 /nfs/dbraw/zinc/60/24/10/521602410.db2.gz XATXJABEOLYQLL-BBRMVZONSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[C@@H](C)C[N@@H+](CC)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000748261427 571675267 /nfs/dbraw/zinc/67/52/67/571675267.db2.gz FQPWALUOJCBFSE-GFCCVEGCSA-N 1 1 290.367 3.270 20 5 CGBDMO Cc1c(C[N@@H+]2CCCSC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000934303481 618583409 /nfs/dbraw/zinc/58/34/09/618583409.db2.gz NNFDIRAWDUKYDZ-NSHDSACASA-N 1 1 280.393 3.231 20 5 CGBDMO C[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000255593799 618745385 /nfs/dbraw/zinc/74/53/85/618745385.db2.gz XBHRFUJHECJSJS-WOLRVDTOSA-N 1 1 290.363 3.107 20 5 CGBDMO C[C@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000255593799 618745387 /nfs/dbraw/zinc/74/53/87/618745387.db2.gz XBHRFUJHECJSJS-WOLRVDTOSA-N 1 1 290.363 3.107 20 5 CGBDMO COc1cc([C@@H](C)[NH2+]Cc2ccco2)cc([N+](=O)[O-])c1 ZINC000903056561 621546801 /nfs/dbraw/zinc/54/68/01/621546801.db2.gz VKYYMHRMFQYAEZ-SNVBAGLBSA-N 1 1 276.292 3.047 20 5 CGBDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000173386641 623320778 /nfs/dbraw/zinc/32/07/78/623320778.db2.gz RSKQROZUWXMRCG-FZMZJTMJSA-N 1 1 294.399 3.266 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774321 623438676 /nfs/dbraw/zinc/43/86/76/623438676.db2.gz BDBSEWYQLXOHMR-LLVKDONJSA-N 1 1 266.316 3.356 20 5 CGBDMO C[C@H](C1CC1)[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174833784 624240126 /nfs/dbraw/zinc/24/01/26/624240126.db2.gz FPFVWLUIQVTYDI-SECBINFHSA-N 1 1 268.744 3.479 20 5 CGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H]1CCCCO1 ZINC000761505140 627046858 /nfs/dbraw/zinc/04/68/58/627046858.db2.gz GMMLKPGTEZRSFO-GFCCVEGCSA-N 1 1 298.770 3.249 20 5 CGBDMO Cc1ccc([C@H](C)NCC[N@@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000766273166 627309595 /nfs/dbraw/zinc/30/95/95/627309595.db2.gz NYOXJXKSOBSQLQ-KBPBESRZSA-N 1 1 291.395 3.038 20 5 CGBDMO Cc1ccc([C@H](C)NCC[N@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000766273166 627309598 /nfs/dbraw/zinc/30/95/98/627309598.db2.gz NYOXJXKSOBSQLQ-KBPBESRZSA-N 1 1 291.395 3.038 20 5 CGBDMO CCC(CC)[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776581348 628221048 /nfs/dbraw/zinc/22/10/48/628221048.db2.gz HOJPRFKDVBCQGI-MRXNPFEDSA-N 1 1 292.379 3.281 20 5 CGBDMO Cc1c(C[NH2+]Cc2cccnc2Cl)cccc1[N+](=O)[O-] ZINC000790998050 629248354 /nfs/dbraw/zinc/24/83/54/629248354.db2.gz FWTFTZDHTOBJKF-UHFFFAOYSA-N 1 1 291.738 3.241 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000808776655 630677060 /nfs/dbraw/zinc/67/70/60/630677060.db2.gz LRUWIYNJMVZLFV-GFCCVEGCSA-N 1 1 278.327 3.356 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](C3CC3)C2)cc1F ZINC000808778151 630677134 /nfs/dbraw/zinc/67/71/34/630677134.db2.gz NZDVRTLWTIHAOT-ZDUSSCGKSA-N 1 1 278.327 3.356 20 5 CGBDMO CCc1noc(C)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873128383 634251246 /nfs/dbraw/zinc/25/12/46/634251246.db2.gz MJHOHUNHDJIZFB-UHFFFAOYSA-N 1 1 289.335 3.052 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CF)C1 ZINC000880232111 635944120 /nfs/dbraw/zinc/94/41/20/635944120.db2.gz GXLTUGSHVZIFNL-VXGBXAGGSA-N 1 1 266.316 3.337 20 5 CGBDMO CC(C)CC[C@H]1CCCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000128616107 636050547 /nfs/dbraw/zinc/05/05/47/636050547.db2.gz VUZBKQVFPDNJGY-CYBMUJFWSA-N 1 1 280.372 3.040 20 5 CGBDMO C[C@H](C[N@@H+](C)Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000885982161 637341343 /nfs/dbraw/zinc/34/13/43/637341343.db2.gz WOMOICGKLDQVDM-CYBMUJFWSA-N 1 1 285.347 3.225 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886018535 637367206 /nfs/dbraw/zinc/36/72/06/637367206.db2.gz BXUYYDHLURWGFU-NEPJUHHUSA-N 1 1 263.341 3.000 20 5 CGBDMO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1C ZINC000886158094 637441293 /nfs/dbraw/zinc/44/12/93/637441293.db2.gz RFSKDAAKIXVIDI-JSGCOSHPSA-N 1 1 277.368 3.390 20 5 CGBDMO Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886174508 637448760 /nfs/dbraw/zinc/44/87/60/637448760.db2.gz BYNLLTLEZSSYMX-AWEZNQCLSA-N 1 1 299.374 3.361 20 5 CGBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000886183842 637451351 /nfs/dbraw/zinc/45/13/51/637451351.db2.gz OEXLCVIKXUOGJY-GFCCVEGCSA-N 1 1 263.341 3.000 20 5 CGBDMO C[C@H](C[N@@H+](C)Cc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000886313925 637495310 /nfs/dbraw/zinc/49/53/10/637495310.db2.gz HRWJKQQVOGHCKR-LLVKDONJSA-N 1 1 265.357 3.104 20 5 CGBDMO C[C@@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000853648412 637881929 /nfs/dbraw/zinc/88/19/29/637881929.db2.gz RXTZLQBVSQLDMJ-AOOOYVTPSA-N 1 1 299.321 3.061 20 5 CGBDMO NC(=[NH+]OCc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000853659445 637884694 /nfs/dbraw/zinc/88/46/94/637884694.db2.gz GPWIUANTUDUTEL-UHFFFAOYSA-N 1 1 295.314 3.313 20 5 CGBDMO C[C@@]1(Cc2cc(Cl)cs2)CCC[N@H+]1CC[N+](=O)[O-] ZINC000932921070 639400173 /nfs/dbraw/zinc/40/01/73/639400173.db2.gz WLUIGIWHFYWYOG-LBPRGKRZSA-N 1 1 288.800 3.075 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1CC1 ZINC000094774652 640802693 /nfs/dbraw/zinc/80/26/93/640802693.db2.gz IDDWRKLCDZLSNZ-UHFFFAOYSA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](C)(F)C1 ZINC001254553779 806449554 /nfs/dbraw/zinc/44/95/54/806449554.db2.gz YXXCTCVPKRZBLI-WFASDCNBSA-N 1 1 280.343 3.350 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCn2cccc2[C@@H]1C ZINC001254560486 806451279 /nfs/dbraw/zinc/45/12/79/806451279.db2.gz UCXYPJACBUPRQN-KBPBESRZSA-N 1 1 299.374 3.404 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCn2cccc2[C@@H]1C ZINC001254560486 806451283 /nfs/dbraw/zinc/45/12/83/806451283.db2.gz UCXYPJACBUPRQN-KBPBESRZSA-N 1 1 299.374 3.404 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC13CCCCC3)C2 ZINC001254593374 806456873 /nfs/dbraw/zinc/45/68/73/806456873.db2.gz LQVNZBJGQPQQOI-MRXNPFEDSA-N 1 1 286.375 3.471 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@H](C(F)F)C1)C2 ZINC001254602975 806458132 /nfs/dbraw/zinc/45/81/32/806458132.db2.gz JKHPPQLTCVCGDQ-RISCZKNCSA-N 1 1 296.317 3.039 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602634 806458474 /nfs/dbraw/zinc/45/84/74/806458474.db2.gz HFFYRLIPVXXXDB-HOCLYGCPSA-N 1 1 274.364 3.327 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@H](C(F)F)C1)C2 ZINC001254602974 806458773 /nfs/dbraw/zinc/45/87/73/806458773.db2.gz JKHPPQLTCVCGDQ-FZMZJTMJSA-N 1 1 296.317 3.039 20 5 CGBDMO C[C@@H]1CCCCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601370 806459155 /nfs/dbraw/zinc/45/91/55/806459155.db2.gz YTWPFAZDVIDYGZ-MLGOLLRUSA-N 1 1 274.364 3.327 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1CCNc1c(F)cccc1[N+](=O)[O-] ZINC001162476063 806593843 /nfs/dbraw/zinc/59/38/43/806593843.db2.gz KXENEAJYBVPUSG-GFCCVEGCSA-N 1 1 295.358 3.410 20 5 CGBDMO CCCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037403780 798868205 /nfs/dbraw/zinc/86/82/05/798868205.db2.gz NKVWJAWGHJSSLN-UHFFFAOYSA-N 1 1 256.733 3.480 20 5 CGBDMO Cc1[nH+]ccn1CCCOc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000699904668 799866444 /nfs/dbraw/zinc/86/64/44/799866444.db2.gz ATXWLZAJGWOLFZ-UHFFFAOYSA-N 1 1 295.726 3.222 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](CF)C2)ccc1Cl ZINC000711477204 800063171 /nfs/dbraw/zinc/06/31/71/800063171.db2.gz PVTXKWGNKATAES-JTQLQIEISA-N 1 1 272.707 3.040 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](CF)C2)ccc1Cl ZINC000711477204 800063178 /nfs/dbraw/zinc/06/31/78/800063178.db2.gz PVTXKWGNKATAES-JTQLQIEISA-N 1 1 272.707 3.040 20 5 CGBDMO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccns1 ZINC000715974788 800156982 /nfs/dbraw/zinc/15/69/82/800156982.db2.gz FLTDCEOOERJIED-MRVPVSSYSA-N 1 1 281.312 3.041 20 5 CGBDMO C[Si](C)(C)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001168309803 807379210 /nfs/dbraw/zinc/37/92/10/807379210.db2.gz PESZYVDNJYBPMY-UHFFFAOYSA-N 1 1 278.428 3.437 20 5 CGBDMO C[N@@H+](CCc1ccc(Cl)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034541 807555698 /nfs/dbraw/zinc/55/56/98/807555698.db2.gz HNSBKBXSDFVRIH-DZGCQCFKSA-N 1 1 296.798 3.260 20 5 CGBDMO CC(C)c1nc(C[N@@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cs1 ZINC001169040237 807557065 /nfs/dbraw/zinc/55/70/65/807557065.db2.gz YYYJRKDTPIPSOC-YPMHNXCESA-N 1 1 297.424 3.144 20 5 CGBDMO COc1ccccc1[C@H](C)[N@@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040227 807557344 /nfs/dbraw/zinc/55/73/44/807557344.db2.gz YYXRHIZATBCQMR-IHRRRGAJSA-N 1 1 292.379 3.133 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2C2CCCCC2)C1 ZINC001169039657 807557540 /nfs/dbraw/zinc/55/75/40/807557540.db2.gz RXTOGRFAZGHTBS-BMFZPTHFSA-N 1 1 280.412 3.477 20 5 CGBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 ZINC001170352838 807827929 /nfs/dbraw/zinc/82/79/29/807827929.db2.gz RPHIQOAYTADCSL-SGMGOOAPSA-N 1 1 290.363 3.019 20 5 CGBDMO CCC[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)CC(C)(C)O ZINC001180174406 809981492 /nfs/dbraw/zinc/98/14/92/809981492.db2.gz LBMZUCDDCJYSLZ-UHFFFAOYSA-N 1 1 294.395 3.195 20 5 CGBDMO CCC[N@@H+](CC[N+](=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC001190520619 810632534 /nfs/dbraw/zinc/63/25/34/810632534.db2.gz VCHWDXLHGCPLNN-GFCCVEGCSA-N 1 1 276.336 3.483 20 5 CGBDMO C[N@H+]1CCc2ccc(Nc3cc(O)cc([N+](=O)[O-])c3)cc2C1 ZINC001201231206 811801806 /nfs/dbraw/zinc/80/18/06/811801806.db2.gz GEVYSQBZIBYMFJ-UHFFFAOYSA-N 1 1 299.330 3.032 20 5 CGBDMO Cn1c[nH+]c2cccc(Nc3ccccc3[N+](=O)[O-])c21 ZINC001206179703 813228710 /nfs/dbraw/zinc/22/87/10/813228710.db2.gz DHEBBQYLFHQELO-UHFFFAOYSA-N 1 1 268.276 3.225 20 5 CGBDMO Cc1c(CO[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC001223331851 816607238 /nfs/dbraw/zinc/60/72/38/816607238.db2.gz PMZOGQOYHCODBR-FICVDOATSA-N 1 1 290.363 3.045 20 5 CGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc([N+](=O)[O-])c1Cl)C2 ZINC001225786439 817178316 /nfs/dbraw/zinc/17/83/16/817178316.db2.gz SXZVOZDRBRDMSE-URLYPYJESA-N 1 1 296.754 3.252 20 5 CGBDMO C[N@H+]1CCC[C@@H](Oc2ccc3nc4ccccc4nc3c2)C1 ZINC001228742081 817995368 /nfs/dbraw/zinc/99/53/68/817995368.db2.gz VMEGMUBLWXKFHK-CQSZACIVSA-N 1 1 293.370 3.256 20 5 CGBDMO CC[N@H+]1CC[C@H](Oc2ccc3nc4ccccc4nc3c2)C1 ZINC001228740680 817995766 /nfs/dbraw/zinc/99/57/66/817995766.db2.gz KOJMWSKGHKRBCT-AWEZNQCLSA-N 1 1 293.370 3.256 20 5 CGBDMO C[C@@H]1[C@H](C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001559923412 937210908 /nfs/dbraw/zinc/21/09/08/937210908.db2.gz ZXISHRQPXMAKEN-UPJWGTAASA-N 1 1 262.353 3.114 20 5 CGBDMO C[C@@H](Cc1ccsc1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC001459620540 937493807 /nfs/dbraw/zinc/49/38/07/937493807.db2.gz IKYBACOMLJKOTF-NSHDSACASA-N 1 1 291.376 3.114 20 5 CGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCC(C)(C)C1 ZINC001460049952 937513381 /nfs/dbraw/zinc/51/33/81/937513381.db2.gz VHQKQVHSGFBUJT-CQSZACIVSA-N 1 1 292.379 3.484 20 5 CGBDMO C[N@@H+](CCCC1CC1)CCc1ccccc1[N+](=O)[O-] ZINC001460085149 937514693 /nfs/dbraw/zinc/51/46/93/937514693.db2.gz FHBLFNYYCMFVNF-UHFFFAOYSA-N 1 1 262.353 3.259 20 5 CGBDMO C[N@H+]1CC[C@H](Oc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC001230942018 932645938 /nfs/dbraw/zinc/64/59/38/932645938.db2.gz ZWZCMFZEYYJIQQ-KRWDZBQOSA-N 1 1 298.342 3.345 20 5 CGBDMO Cc1ccc(C)c([N+](=O)[O-])c1OC1CC[NH+](CCF)CC1 ZINC001231062303 932669806 /nfs/dbraw/zinc/66/98/06/932669806.db2.gz ZEZMNSBWKZQAEC-UHFFFAOYSA-N 1 1 296.342 3.024 20 5 CGBDMO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1Oc1ccccc1 ZINC001473341612 937802253 /nfs/dbraw/zinc/80/22/53/937802253.db2.gz BDVBCAQTAMZPQO-ZDUSSCGKSA-N 1 1 286.331 3.406 20 5 CGBDMO CC(C)n1cc([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC001473358250 937802989 /nfs/dbraw/zinc/80/29/89/937802989.db2.gz SIZUMCDVAFKRGO-SNVBAGLBSA-N 1 1 294.380 3.285 20 5 CGBDMO CC(C)[C@@H]1CCCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001559689415 938233050 /nfs/dbraw/zinc/23/30/50/938233050.db2.gz OMMWUVKTWPKEJB-AWEZNQCLSA-N 1 1 277.368 3.390 20 5 CGBDMO CC[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1C ZINC001559769770 938235106 /nfs/dbraw/zinc/23/51/06/938235106.db2.gz SGSDWOQDCREPTE-GHMZBOCLSA-N 1 1 266.316 3.354 20 5 CGBDMO C=C/C=C\CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001559782526 938235452 /nfs/dbraw/zinc/23/54/52/938235452.db2.gz QFCDIKZRHXZFKH-PLNGDYQASA-N 1 1 260.337 3.201 20 5 CGBDMO CCC1(CC)CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001560120434 938244529 /nfs/dbraw/zinc/24/45/29/938244529.db2.gz WVUXSZSZPMJIHT-HNNXBMFYSA-N 1 1 292.379 3.283 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](C2CCCC2)C1 ZINC001560226316 938247838 /nfs/dbraw/zinc/24/78/38/938247838.db2.gz PAVTVOYVELIBKR-CQSZACIVSA-N 1 1 289.379 3.392 20 5 CGBDMO CCC[N@@H+](CC)C[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC001560490020 938260340 /nfs/dbraw/zinc/26/03/40/938260340.db2.gz IIDNVYSJJCFVMI-CYBMUJFWSA-N 1 1 293.411 3.113 20 5 CGBDMO CCCN(CC)C[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001560490020 938260341 /nfs/dbraw/zinc/26/03/41/938260341.db2.gz IIDNVYSJJCFVMI-CYBMUJFWSA-N 1 1 293.411 3.113 20 5 CGBDMO C[N@H+]1CCC[C@@H]1CCSc1cccc([N+](=O)[O-])c1 ZINC000337759641 214249639 /nfs/dbraw/zinc/24/96/39/214249639.db2.gz ODQOSDTVUUVENO-LLVKDONJSA-N 1 1 266.366 3.171 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CC2(CC(F)C2)C1 ZINC000590969289 346892047 /nfs/dbraw/zinc/89/20/47/346892047.db2.gz LMPCIUZNNKQDGM-HYXAFXHYSA-N 1 1 276.311 3.042 20 5 CGBDMO CC1(CC(F)F)C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000592528326 346996683 /nfs/dbraw/zinc/99/66/83/346996683.db2.gz ZPVJWIZYDGRLMY-UHFFFAOYSA-N 1 1 270.279 3.072 20 5 CGBDMO Cc1c(C[N@H+]2C[C@@H](C)OCC23CCC3)cccc1[N+](=O)[O-] ZINC000593093582 347038664 /nfs/dbraw/zinc/03/86/64/347038664.db2.gz UUVKQLPXEJNYKF-GFCCVEGCSA-N 1 1 290.363 3.047 20 5 CGBDMO Cc1c(C[N@@H+]2C[C@@H](C)OCC23CCC3)cccc1[N+](=O)[O-] ZINC000593093582 347038667 /nfs/dbraw/zinc/03/86/67/347038667.db2.gz UUVKQLPXEJNYKF-GFCCVEGCSA-N 1 1 290.363 3.047 20 5 CGBDMO Cc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000042978234 344991682 /nfs/dbraw/zinc/99/16/82/344991682.db2.gz GPIQGNPLBKYSKY-UHFFFAOYSA-N 1 1 260.293 3.128 20 5 CGBDMO Cc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000042978234 344991684 /nfs/dbraw/zinc/99/16/84/344991684.db2.gz GPIQGNPLBKYSKY-UHFFFAOYSA-N 1 1 260.293 3.128 20 5 CGBDMO C[C@H](CNc1ccsc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000063262180 345244759 /nfs/dbraw/zinc/24/47/59/345244759.db2.gz TYHAPJAHODACAI-GHMZBOCLSA-N 1 1 283.397 3.189 20 5 CGBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000074287805 345465173 /nfs/dbraw/zinc/46/51/73/345465173.db2.gz OJFRROQOVJAWAW-JKSUJKDBSA-N 1 1 292.379 3.029 20 5 CGBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000076913200 345554448 /nfs/dbraw/zinc/55/44/48/345554448.db2.gz SKEDXJPFPRISTC-UHFFFAOYSA-N 1 1 292.379 3.028 20 5 CGBDMO Cc1ccnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000328097047 346491218 /nfs/dbraw/zinc/49/12/18/346491218.db2.gz JZAKPULNLXSOGC-LBPRGKRZSA-N 1 1 271.320 3.149 20 5 CGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1sccc1[N+](=O)[O-] ZINC000588866020 346771574 /nfs/dbraw/zinc/77/15/74/346771574.db2.gz HSTNICIHHXNFGG-JTQLQIEISA-N 1 1 271.386 3.189 20 5 CGBDMO C[C@H](F)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000351767393 219200366 /nfs/dbraw/zinc/20/03/66/219200366.db2.gz VGWNUZPZRVAFFN-NSHDSACASA-N 1 1 266.316 3.307 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593694885 347104724 /nfs/dbraw/zinc/10/47/24/347104724.db2.gz DMRFRMUKAULDJI-MFBWXBCUSA-N 1 1 294.301 3.339 20 5 CGBDMO O=[N+]([O-])c1ccccc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594597955 347199038 /nfs/dbraw/zinc/19/90/38/347199038.db2.gz FKRKGAOQFQVELJ-GXTWGEPZSA-N 1 1 275.352 3.024 20 5 CGBDMO CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000595289023 347286317 /nfs/dbraw/zinc/28/63/17/347286317.db2.gz BRYRZKBYASDKDH-UHFFFAOYSA-N 1 1 266.316 3.498 20 5 CGBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000595290414 347287260 /nfs/dbraw/zinc/28/72/60/347287260.db2.gz BBKBTNLGFKQAIT-UHFFFAOYSA-N 1 1 266.316 3.498 20 5 CGBDMO CCC(CC)[N@@H+](CCOC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595307235 347290340 /nfs/dbraw/zinc/29/03/40/347290340.db2.gz KFZSEMMCYGRIRV-UHFFFAOYSA-N 1 1 298.358 3.371 20 5 CGBDMO Cc1noc(C[N@@H+](C)C[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000595307760 347290378 /nfs/dbraw/zinc/29/03/78/347290378.db2.gz YEJSUKMIHFCEJA-LLVKDONJSA-N 1 1 289.335 3.127 20 5 CGBDMO Cc1noc(C[N@H+](C)C[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000595307760 347290381 /nfs/dbraw/zinc/29/03/81/347290381.db2.gz YEJSUKMIHFCEJA-LLVKDONJSA-N 1 1 289.335 3.127 20 5 CGBDMO CC[C@@H](C)C[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595316134 347290782 /nfs/dbraw/zinc/29/07/82/347290782.db2.gz CFOYNONLTXUANG-SNVBAGLBSA-N 1 1 254.305 3.212 20 5 CGBDMO Cc1noc(C[N@H+]2CCC3(C2)CCCCC3)c1[N+](=O)[O-] ZINC000595328747 347293245 /nfs/dbraw/zinc/29/32/45/347293245.db2.gz ZERYZENYYVIHLS-UHFFFAOYSA-N 1 1 279.340 3.047 20 5 CGBDMO CC(C)[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CC1 ZINC000595355847 347295678 /nfs/dbraw/zinc/29/56/78/347295678.db2.gz FRBRDFNEGMXGLG-UHFFFAOYSA-N 1 1 266.316 3.354 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000595755489 347350131 /nfs/dbraw/zinc/35/01/31/347350131.db2.gz MNEROGSVKOOCQZ-LBPRGKRZSA-N 1 1 296.342 3.175 20 5 CGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000595755323 347350583 /nfs/dbraw/zinc/35/05/83/347350583.db2.gz KVVYRRURCFCXEN-ZDUSSCGKSA-N 1 1 296.342 3.045 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595473313 347308494 /nfs/dbraw/zinc/30/84/94/347308494.db2.gz ANZHRHKPEBUWJE-QDMKHBRRSA-N 1 1 274.364 3.115 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000596308868 347414875 /nfs/dbraw/zinc/41/48/75/347414875.db2.gz XHAXMDPXNVMRTO-CYBMUJFWSA-N 1 1 291.395 3.436 20 5 CGBDMO C[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000598975218 347703127 /nfs/dbraw/zinc/70/31/27/347703127.db2.gz UEKDYXXCMBWZKU-CHWSQXEVSA-N 1 1 291.395 3.118 20 5 CGBDMO O=[N+]([O-])c1ccccc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599163649 347722145 /nfs/dbraw/zinc/72/21/45/347722145.db2.gz GKCJOZYVZLJJSD-CYBMUJFWSA-N 1 1 275.352 3.024 20 5 CGBDMO COC(C)(C)CN(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601128826 347872872 /nfs/dbraw/zinc/87/28/72/347872872.db2.gz DOAFAMRVVNUZSK-UHFFFAOYSA-N 1 1 289.335 3.004 20 5 CGBDMO Cc1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])sn1 ZINC000602648914 348000433 /nfs/dbraw/zinc/00/04/33/348000433.db2.gz DRSSPAHEXQPFJP-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO CC(C)(F)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602727402 348019146 /nfs/dbraw/zinc/01/91/46/348019146.db2.gz QRIIAKYZEQCITP-UHFFFAOYSA-N 1 1 294.248 3.451 20 5 CGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1CC(C)C ZINC000602794015 348030717 /nfs/dbraw/zinc/03/07/17/348030717.db2.gz CMJDYNVNWIIDBQ-CQSZACIVSA-N 1 1 294.399 3.000 20 5 CGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@]1(C)CC(C)C ZINC000602837702 348035410 /nfs/dbraw/zinc/03/54/10/348035410.db2.gz YXALUUMHFDSWOK-HNNXBMFYSA-N 1 1 294.399 3.000 20 5 CGBDMO CSC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000602921174 348044303 /nfs/dbraw/zinc/04/43/03/348044303.db2.gz RCHAVQGHFQKUBD-UHFFFAOYSA-N 1 1 284.356 3.061 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc([N+](=O)[O-])s1 ZINC000604408749 348119662 /nfs/dbraw/zinc/11/96/62/348119662.db2.gz HGAVELMVLYPMNU-LLVKDONJSA-N 1 1 283.397 3.333 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ccc([N+](=O)[O-])s2)C1 ZINC000604409282 348119789 /nfs/dbraw/zinc/11/97/89/348119789.db2.gz OLXVLXMWZNBGQP-TXEJJXNPSA-N 1 1 297.424 3.436 20 5 CGBDMO COc1ccc(C[N@H+]2CC[C@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000610410632 348381684 /nfs/dbraw/zinc/38/16/84/348381684.db2.gz RBFQVFDSDJZVNG-CQSZACIVSA-N 1 1 292.379 3.471 20 5 CGBDMO C[C@@H]([NH2+]Cc1[nH]nc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000611377049 348442349 /nfs/dbraw/zinc/44/23/49/348442349.db2.gz FKYHEIWONLPHCL-LLVKDONJSA-N 1 1 296.330 3.322 20 5 CGBDMO CCC(O)(CC)C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611471154 348454388 /nfs/dbraw/zinc/45/43/88/348454388.db2.gz UCRRGTDMFJBLKY-GFCCVEGCSA-N 1 1 280.368 3.139 20 5 CGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC=CCC3)co2)cc1 ZINC000611517348 348458277 /nfs/dbraw/zinc/45/82/77/348458277.db2.gz RZFYPJJQAWMVMQ-UHFFFAOYSA-N 1 1 285.303 3.012 20 5 CGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC=CCC3)co2)cc1 ZINC000611517348 348458280 /nfs/dbraw/zinc/45/82/80/348458280.db2.gz RZFYPJJQAWMVMQ-UHFFFAOYSA-N 1 1 285.303 3.012 20 5 CGBDMO CCOc1cc(C[N@H+]2CCC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000617196469 348928274 /nfs/dbraw/zinc/92/82/74/348928274.db2.gz SZQJZRGYJXGUAA-CQSZACIVSA-N 1 1 290.363 3.368 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H]2CCCCO2)C2CC2)c1 ZINC000153282788 188074548 /nfs/dbraw/zinc/07/45/48/188074548.db2.gz RAXZPFDKZVCXTG-INIZCTEOSA-N 1 1 290.363 3.128 20 5 CGBDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000412046257 235115697 /nfs/dbraw/zinc/11/56/97/235115697.db2.gz QVFCXWQIQYOQJG-JTQLQIEISA-N 1 1 289.335 3.356 20 5 CGBDMO CC[N@H+]1CCCC[C@@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000342222238 216266305 /nfs/dbraw/zinc/26/63/05/216266305.db2.gz KZIHYBZEUCJGNC-LLVKDONJSA-N 1 1 281.331 3.020 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCCC[C@@H]1C ZINC000301456735 201016975 /nfs/dbraw/zinc/01/69/75/201016975.db2.gz WYZDPYGMNNWNTR-ZDUSSCGKSA-N 1 1 277.368 3.190 20 5 CGBDMO O=[N+]([O-])c1ccc(NCCNc2cc[nH+]cc2Cl)cc1 ZINC000301512994 201038635 /nfs/dbraw/zinc/03/86/35/201038635.db2.gz FSXUJERLTRVRST-UHFFFAOYSA-N 1 1 292.726 3.167 20 5 CGBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000301597352 201089946 /nfs/dbraw/zinc/08/99/46/201089946.db2.gz GTRRGQFLZWYYKN-LBPRGKRZSA-N 1 1 295.358 3.124 20 5 CGBDMO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000120221044 370750608 /nfs/dbraw/zinc/75/06/08/370750608.db2.gz JMCNFUJNHHHBLQ-UHFFFAOYSA-N 1 1 293.754 3.219 20 5 CGBDMO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000120221044 370750610 /nfs/dbraw/zinc/75/06/10/370750610.db2.gz JMCNFUJNHHHBLQ-UHFFFAOYSA-N 1 1 293.754 3.219 20 5 CGBDMO CO[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451539071 240322022 /nfs/dbraw/zinc/32/20/22/240322022.db2.gz DZTBLBDUYRDECM-TYNCELHUSA-N 1 1 278.352 3.013 20 5 CGBDMO COCCCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548036 240325539 /nfs/dbraw/zinc/32/55/39/240325539.db2.gz MBJLLSYGXXNNCP-HNNXBMFYSA-N 1 1 292.379 3.201 20 5 CGBDMO CC(C)(C)C1C[NH+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000459639278 242160741 /nfs/dbraw/zinc/16/07/41/242160741.db2.gz KCIMGUFZKUPICY-UHFFFAOYSA-N 1 1 254.355 3.134 20 5 CGBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000048947805 369375822 /nfs/dbraw/zinc/37/58/22/369375822.db2.gz HLAKRZMKZQJDPU-GFCCVEGCSA-N 1 1 298.770 3.249 20 5 CGBDMO CCC[C@H](NCC[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000054111106 369495768 /nfs/dbraw/zinc/49/57/68/369495768.db2.gz OZBZTNPXYLTTET-INIZCTEOSA-N 1 1 293.411 3.366 20 5 CGBDMO CCC[C@H](NCC[N@@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000054111106 369495773 /nfs/dbraw/zinc/49/57/73/369495773.db2.gz OZBZTNPXYLTTET-INIZCTEOSA-N 1 1 293.411 3.366 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cnccn2)cc1[N+](=O)[O-] ZINC000090217539 370058814 /nfs/dbraw/zinc/05/88/14/370058814.db2.gz UFOGRBZFRWXPIT-NWDGAFQWSA-N 1 1 286.335 3.105 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091937433 370084151 /nfs/dbraw/zinc/08/41/51/370084151.db2.gz NGZXHJFRAWOTEH-ZVYZJRAXSA-N 1 1 260.337 3.481 20 5 CGBDMO CCc1[nH+]ccn1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093634124 370148444 /nfs/dbraw/zinc/14/84/44/370148444.db2.gz KZLHVNHKUZZHQX-UHFFFAOYSA-N 1 1 265.700 3.055 20 5 CGBDMO Cc1c([C@H](C)NC[C@H](C)[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000130967661 371072411 /nfs/dbraw/zinc/07/24/11/371072411.db2.gz CAHREGFJBWQZKJ-AAEUAGOBSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1c([C@H](C)NC[C@H](C)[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000130967661 371072417 /nfs/dbraw/zinc/07/24/17/371072417.db2.gz CAHREGFJBWQZKJ-AAEUAGOBSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccc(O)cc1 ZINC000290544860 372014297 /nfs/dbraw/zinc/01/42/97/372014297.db2.gz RMGUXWIERDPVAY-UHFFFAOYSA-N 1 1 286.331 3.241 20 5 CGBDMO Cc1ccc(C[N@H+]2CCCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000294149716 372595126 /nfs/dbraw/zinc/59/51/26/372595126.db2.gz VGZDEIQEMLGJEY-MRXNPFEDSA-N 1 1 292.379 3.150 20 5 CGBDMO CCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000171678225 372804187 /nfs/dbraw/zinc/80/41/87/372804187.db2.gz LQQXHKJHMMJERO-UHFFFAOYSA-N 1 1 252.289 3.108 20 5 CGBDMO CCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000171678225 372804190 /nfs/dbraw/zinc/80/41/90/372804190.db2.gz LQQXHKJHMMJERO-UHFFFAOYSA-N 1 1 252.289 3.108 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccc(O)c1)C1CC1 ZINC000171928252 372856012 /nfs/dbraw/zinc/85/60/12/372856012.db2.gz OMDLIUUKDYZXEF-UHFFFAOYSA-N 1 1 298.342 3.465 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cccc(O)c1)C1CC1 ZINC000171928252 372856006 /nfs/dbraw/zinc/85/60/06/372856006.db2.gz OMDLIUUKDYZXEF-UHFFFAOYSA-N 1 1 298.342 3.465 20 5 CGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000441441145 373013387 /nfs/dbraw/zinc/01/33/87/373013387.db2.gz AUYCOONTPSTTSQ-BBRMVZONSA-N 1 1 290.363 3.238 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H]1C1CC1 ZINC000449425926 373698987 /nfs/dbraw/zinc/69/89/87/373698987.db2.gz NOLFGNCPTLZWHT-LYKUJDHUSA-N 1 1 258.321 3.092 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccoc1 ZINC000178730802 373807750 /nfs/dbraw/zinc/80/77/50/373807750.db2.gz VBTYFBDURCRNNP-JTQLQIEISA-N 1 1 276.292 3.047 20 5 CGBDMO CC[N@H+]1CC[C@@H](N(C)c2cc(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000301542181 373785005 /nfs/dbraw/zinc/78/50/05/373785005.db2.gz CPEZNIUOHIJIAQ-ZIAGYGMSSA-N 1 1 291.395 3.070 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000302750289 373952781 /nfs/dbraw/zinc/95/27/81/373952781.db2.gz VRKVDDHADWTBOR-CYBMUJFWSA-N 1 1 278.352 3.368 20 5 CGBDMO C[C@@H]1C[C@@H](N(C)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000302793661 373965146 /nfs/dbraw/zinc/96/51/46/373965146.db2.gz ZXHXQYJOGKGTMB-PWSUYJOCSA-N 1 1 297.786 3.167 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](C(C)C)CC1 ZINC000302720805 373939300 /nfs/dbraw/zinc/93/93/00/373939300.db2.gz ZVVYZVYUYWVOPR-UHFFFAOYSA-N 1 1 297.786 3.087 20 5 CGBDMO C[N@@H+](CCC1CC1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182356471 374263272 /nfs/dbraw/zinc/26/32/72/374263272.db2.gz QHDVMKRSIUOPTB-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO COC[C@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182787219 374326021 /nfs/dbraw/zinc/32/60/21/374326021.db2.gz QTRDQGINDSZHNE-KGLIPLIRSA-N 1 1 292.379 3.323 20 5 CGBDMO CC[C@]1(CO)CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000187640719 375062940 /nfs/dbraw/zinc/06/29/40/375062940.db2.gz BMTLJUJEWGNXCA-BBRMVZONSA-N 1 1 292.379 3.140 20 5 CGBDMO C[C@@H]1CCCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000512201628 375794920 /nfs/dbraw/zinc/79/49/20/375794920.db2.gz KCPBJYFBRNZOOS-LLVKDONJSA-N 1 1 266.316 3.498 20 5 CGBDMO CCCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193597563 375896658 /nfs/dbraw/zinc/89/66/58/375896658.db2.gz AZQSRSQDCXGYDV-UHFFFAOYSA-N 1 1 281.312 3.125 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336785617 375936608 /nfs/dbraw/zinc/93/66/08/375936608.db2.gz ABQWYMLXXIYMBL-SNVBAGLBSA-N 1 1 252.289 3.108 20 5 CGBDMO CCC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000336850231 376011434 /nfs/dbraw/zinc/01/14/34/376011434.db2.gz WOTHTCZZAYHVPK-XJKSGUPXSA-N 1 1 293.411 3.223 20 5 CGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000540054848 376354588 /nfs/dbraw/zinc/35/45/88/376354588.db2.gz CKVAGJMQTHVUMY-CHWSQXEVSA-N 1 1 278.352 3.237 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+](C)C(C)C)c1 ZINC000228762335 376447350 /nfs/dbraw/zinc/44/73/50/376447350.db2.gz AQZJUNDYXRQBET-UHFFFAOYSA-N 1 1 265.357 3.045 20 5 CGBDMO CC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542927803 376593669 /nfs/dbraw/zinc/59/36/69/376593669.db2.gz GFNVYNVNUGMNNC-SNVBAGLBSA-N 1 1 268.744 3.480 20 5 CGBDMO C[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000339003381 376623998 /nfs/dbraw/zinc/62/39/98/376623998.db2.gz PGKOANLQPDDROE-RYUDHWBXSA-N 1 1 295.358 3.409 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC=C(C)CC1 ZINC000339621630 376773653 /nfs/dbraw/zinc/77/36/53/376773653.db2.gz CIGGSLDVRUSAHJ-UHFFFAOYSA-N 1 1 276.336 3.146 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC=C(C)CC1 ZINC000339621630 376773659 /nfs/dbraw/zinc/77/36/59/376773659.db2.gz CIGGSLDVRUSAHJ-UHFFFAOYSA-N 1 1 276.336 3.146 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCCOC1 ZINC000245498373 376832965 /nfs/dbraw/zinc/83/29/65/376832965.db2.gz VYRZDCUCPRAAMQ-QWHCGFSZSA-N 1 1 278.352 3.014 20 5 CGBDMO COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000245884977 376925528 /nfs/dbraw/zinc/92/55/28/376925528.db2.gz ISWIYKCYGWTBAC-VXGBXAGGSA-N 1 1 278.352 3.081 20 5 CGBDMO COc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000246510740 377044551 /nfs/dbraw/zinc/04/45/51/377044551.db2.gz BHBJALOQHOALAZ-RYUDHWBXSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000573718932 377567035 /nfs/dbraw/zinc/56/70/35/377567035.db2.gz KYKYXSRTJRFSPT-STQMWFEESA-N 1 1 290.363 3.299 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000573718932 377567042 /nfs/dbraw/zinc/56/70/42/377567042.db2.gz KYKYXSRTJRFSPT-STQMWFEESA-N 1 1 290.363 3.299 20 5 CGBDMO C[C@H]1CCC[C@@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000519001738 249291397 /nfs/dbraw/zinc/29/13/97/249291397.db2.gz RAHHKMFBFIDKFT-UONOGXRCSA-N 1 1 292.379 3.484 20 5 CGBDMO CC[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255583245 377768180 /nfs/dbraw/zinc/76/81/80/377768180.db2.gz OVQGZUGNWSZZPJ-SCXUMTSISA-N 1 1 260.337 3.340 20 5 CGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1cccc(OC)c1[N+](=O)[O-] ZINC000579174310 378136115 /nfs/dbraw/zinc/13/61/15/378136115.db2.gz TUDBQBMVNVYEBN-LBPRGKRZSA-N 1 1 295.383 3.136 20 5 CGBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccoc1 ZINC000348041179 378763616 /nfs/dbraw/zinc/76/36/16/378763616.db2.gz DADQXCFHDORDMK-UHFFFAOYSA-N 1 1 290.319 3.089 20 5 CGBDMO COc1ccc(C[N@H+]2CCCC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000348164847 378819674 /nfs/dbraw/zinc/81/96/74/378819674.db2.gz CFSSTKVYJXQZSZ-UHFFFAOYSA-N 1 1 290.363 3.370 20 5 CGBDMO COC1CC([N@@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000348709398 379024743 /nfs/dbraw/zinc/02/47/43/379024743.db2.gz MPMLCHDTWDWCSD-UHFFFAOYSA-N 1 1 292.379 3.327 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000370718693 379060143 /nfs/dbraw/zinc/06/01/43/379060143.db2.gz FMHTVVUEBYUZBH-MRXNPFEDSA-N 1 1 297.358 3.054 20 5 CGBDMO CC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000266552427 190266770 /nfs/dbraw/zinc/26/67/70/190266770.db2.gz USNFUKBTZKZCQM-JHJVBQTASA-N 1 1 278.352 3.155 20 5 CGBDMO CC[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000266552427 190266771 /nfs/dbraw/zinc/26/67/71/190266771.db2.gz USNFUKBTZKZCQM-JHJVBQTASA-N 1 1 278.352 3.155 20 5 CGBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000374343489 379427873 /nfs/dbraw/zinc/42/78/73/379427873.db2.gz YHHOFABLQHJQKQ-MRXNPFEDSA-N 1 1 283.331 3.193 20 5 CGBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000267271034 190316856 /nfs/dbraw/zinc/31/68/56/190316856.db2.gz SHARBNMLUNLGII-LLVKDONJSA-N 1 1 297.786 3.026 20 5 CGBDMO Cc1cnc([C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000352562743 379859819 /nfs/dbraw/zinc/85/98/19/379859819.db2.gz MDLVVEKLYXFQLZ-LBPRGKRZSA-N 1 1 289.335 3.127 20 5 CGBDMO Cc1cnc([C@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000352562743 379859829 /nfs/dbraw/zinc/85/98/29/379859829.db2.gz MDLVVEKLYXFQLZ-LBPRGKRZSA-N 1 1 289.335 3.127 20 5 CGBDMO CC[C@]1(C)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000354107357 380326976 /nfs/dbraw/zinc/32/69/76/380326976.db2.gz PTJCGMJOWVPINB-GFCCVEGCSA-N 1 1 254.355 3.278 20 5 CGBDMO C[C@@H](C1CCC1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000357025904 380997843 /nfs/dbraw/zinc/99/78/43/380997843.db2.gz QFRCBHDURPNGHO-LBPRGKRZSA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000357717765 381263147 /nfs/dbraw/zinc/26/31/47/381263147.db2.gz SIMBTZASXNKLFZ-QWHCGFSZSA-N 1 1 278.352 3.094 20 5 CGBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000361481503 381765680 /nfs/dbraw/zinc/76/56/80/381765680.db2.gz NSFMNFMEBQWJIJ-UHFFFAOYSA-N 1 1 278.352 3.096 20 5 CGBDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000362435030 381989931 /nfs/dbraw/zinc/98/99/31/381989931.db2.gz BZIQRFZADBXFPB-QWHCGFSZSA-N 1 1 278.352 3.094 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000362435580 381991070 /nfs/dbraw/zinc/99/10/70/381991070.db2.gz DLYQAAQXYAQMFO-NEPJUHHUSA-N 1 1 278.352 3.224 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000477651301 285110413 /nfs/dbraw/zinc/11/04/13/285110413.db2.gz ZOSRYLXVKZRHDD-INIZCTEOSA-N 1 1 274.364 3.402 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289420952 197339206 /nfs/dbraw/zinc/33/92/06/197339206.db2.gz URIGURWKWRVIEJ-OAHLLOKOSA-N 1 1 297.358 3.369 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1Cn1c[nH+]c2c1CCCC2 ZINC000130485930 285116726 /nfs/dbraw/zinc/11/67/26/285116726.db2.gz SBJYUJHLTIZNLX-UHFFFAOYSA-N 1 1 291.738 3.372 20 5 CGBDMO COC[C@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000368665007 533125080 /nfs/dbraw/zinc/12/50/80/533125080.db2.gz AAPDDGCDPVNFFT-AWEZNQCLSA-N 1 1 292.379 3.152 20 5 CGBDMO CSCCC[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000439467485 533563275 /nfs/dbraw/zinc/56/32/75/533563275.db2.gz JHPHXLRCXPFIKB-UHFFFAOYSA-N 1 1 288.800 3.433 20 5 CGBDMO CSCCC[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000439467485 533563279 /nfs/dbraw/zinc/56/32/79/533563279.db2.gz JHPHXLRCXPFIKB-UHFFFAOYSA-N 1 1 288.800 3.433 20 5 CGBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000301080182 392584858 /nfs/dbraw/zinc/58/48/58/392584858.db2.gz SUNLBNUZKJCMNE-QGZVFWFLSA-N 1 1 297.358 3.088 20 5 CGBDMO C[C@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000311404833 392661468 /nfs/dbraw/zinc/66/14/68/392661468.db2.gz GWGVYADZKMHDLN-NSHDSACASA-N 1 1 266.316 3.498 20 5 CGBDMO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1CCCC1 ZINC000509313306 392743338 /nfs/dbraw/zinc/74/33/38/392743338.db2.gz HIIJVZMSWFZQQQ-UHFFFAOYSA-N 1 1 284.306 3.495 20 5 CGBDMO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1CCCC1 ZINC000509313306 392743346 /nfs/dbraw/zinc/74/33/46/392743346.db2.gz HIIJVZMSWFZQQQ-UHFFFAOYSA-N 1 1 284.306 3.495 20 5 CGBDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000194940547 392947818 /nfs/dbraw/zinc/94/78/18/392947818.db2.gz CXVLZCONOVACBP-AWEZNQCLSA-N 1 1 298.408 3.437 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000466921414 393070565 /nfs/dbraw/zinc/07/05/65/393070565.db2.gz KRMRYTTYDAQLEN-BETUJISGSA-N 1 1 278.352 3.237 20 5 CGBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000353948515 393235410 /nfs/dbraw/zinc/23/54/10/393235410.db2.gz VIMBGULZBSLPHG-HOCLYGCPSA-N 1 1 292.379 3.230 20 5 CGBDMO C[C@H](NCC[C@@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000271728606 393253374 /nfs/dbraw/zinc/25/33/74/393253374.db2.gz MOOMDJJVOCPHSY-KBPBESRZSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@@H]([N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(C)CC1 ZINC000548180245 393187570 /nfs/dbraw/zinc/18/75/70/393187570.db2.gz WKROGDHCSASTHQ-SNVBAGLBSA-N 1 1 288.351 3.092 20 5 CGBDMO C[C@@H]1CC[C@@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000429601837 393492088 /nfs/dbraw/zinc/49/20/88/393492088.db2.gz WPVZOWITXUMMFY-CHWSQXEVSA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000357718595 393515083 /nfs/dbraw/zinc/51/50/83/393515083.db2.gz WRZOIFGHMPNLHN-QWRGUYRKSA-N 1 1 266.316 3.354 20 5 CGBDMO CCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000430196056 393536234 /nfs/dbraw/zinc/53/62/34/393536234.db2.gz KYHYYBHOLNCIGN-UHFFFAOYSA-N 1 1 278.352 3.368 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2ccccc2)CC1 ZINC000430198495 393537556 /nfs/dbraw/zinc/53/75/56/393537556.db2.gz YTGPOVXEXUAHAN-UHFFFAOYSA-N 1 1 298.342 3.382 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000430203979 393539477 /nfs/dbraw/zinc/53/94/77/393539477.db2.gz QDHQBWAAWDZPFX-ZDUSSCGKSA-N 1 1 292.379 3.471 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000430241461 393548327 /nfs/dbraw/zinc/54/83/27/393548327.db2.gz VYPOTFPNKWEGOS-YPMHNXCESA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421044226 393586284 /nfs/dbraw/zinc/58/62/84/393586284.db2.gz SBROKNZNCAVUII-ZIAGYGMSSA-N 1 1 292.379 3.140 20 5 CGBDMO CCOc1cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492416514 393731874 /nfs/dbraw/zinc/73/18/74/393731874.db2.gz KSHNKRJELNIGAZ-BETUJISGSA-N 1 1 292.379 3.471 20 5 CGBDMO C[C@H](c1ccco1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000069065417 165050648 /nfs/dbraw/zinc/05/06/48/165050648.db2.gz DGEIMKQNDXZCIE-GFCCVEGCSA-N 1 1 290.319 3.260 20 5 CGBDMO CC(C)[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000076066712 165113187 /nfs/dbraw/zinc/11/31/87/165113187.db2.gz YISCUKNXCHYDHY-AWEZNQCLSA-N 1 1 280.393 3.168 20 5 CGBDMO CC[C@H](C)C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000111254461 287133677 /nfs/dbraw/zinc/13/36/77/287133677.db2.gz ACLWFQKGMVBKBL-LBPRGKRZSA-N 1 1 250.342 3.115 20 5 CGBDMO CCCN1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000020190159 171056386 /nfs/dbraw/zinc/05/63/86/171056386.db2.gz BBCRLGQDOSMLFS-ZDUSSCGKSA-N 1 1 291.395 3.120 20 5 CGBDMO CC(C)C[C@@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000020201855 171065955 /nfs/dbraw/zinc/06/59/55/171065955.db2.gz BEVCTYCWDBVHER-BBRMVZONSA-N 1 1 293.411 3.222 20 5 CGBDMO O=[N+]([O-])c1ccccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000046228903 175394661 /nfs/dbraw/zinc/39/46/61/175394661.db2.gz ORNFQWIOUAHOTC-OAHLLOKOSA-N 1 1 297.358 3.281 20 5 CGBDMO Cc1ccc(NCC[N@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000071377655 176142955 /nfs/dbraw/zinc/14/29/55/176142955.db2.gz MHIBUSDJNRRYFV-UHFFFAOYSA-N 1 1 277.368 3.190 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOc1ccccc1)CC2 ZINC000131496612 287381804 /nfs/dbraw/zinc/38/18/04/287381804.db2.gz ULLKUEJENYAPNL-UHFFFAOYSA-N 1 1 298.342 3.032 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOc1ccccc1)CC2 ZINC000131496612 287381807 /nfs/dbraw/zinc/38/18/07/287381807.db2.gz ULLKUEJENYAPNL-UHFFFAOYSA-N 1 1 298.342 3.032 20 5 CGBDMO CCN(CC)C[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000045691553 270038896 /nfs/dbraw/zinc/03/88/96/270038896.db2.gz VZVOBGQBHCLZFB-ZIAGYGMSSA-N 1 1 293.411 3.284 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000034996428 275039980 /nfs/dbraw/zinc/03/99/80/275039980.db2.gz XIBPSWGWCTUWCK-AWEZNQCLSA-N 1 1 284.315 3.208 20 5 CGBDMO CC1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]2O1 ZINC000440944034 276133698 /nfs/dbraw/zinc/13/36/98/276133698.db2.gz TUXHUVBFSGDLBH-HUUCEWRRSA-N 1 1 290.363 3.127 20 5 CGBDMO CC1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]2O1 ZINC000440944034 276133700 /nfs/dbraw/zinc/13/37/00/276133700.db2.gz TUXHUVBFSGDLBH-HUUCEWRRSA-N 1 1 290.363 3.127 20 5 CGBDMO CO[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000252040268 277299959 /nfs/dbraw/zinc/29/99/59/277299959.db2.gz ZJEGICGRQLKHOE-YWPYICTPSA-N 1 1 278.352 3.013 20 5 CGBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444647398 279079279 /nfs/dbraw/zinc/07/92/79/279079279.db2.gz FAEJAUOVWFNEIE-WDEREUQCSA-N 1 1 288.351 3.092 20 5 CGBDMO CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(C)C ZINC000521819044 288139385 /nfs/dbraw/zinc/13/93/85/288139385.db2.gz RDWXUUWBUCHDKO-UHFFFAOYSA-N 1 1 280.368 3.342 20 5 CGBDMO C[N@@H+](CCNc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000552923157 289202701 /nfs/dbraw/zinc/20/27/01/289202701.db2.gz BJYBMTUWBIGENU-UHFFFAOYSA-N 1 1 295.358 3.410 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccco1 ZINC000152037476 321691757 /nfs/dbraw/zinc/69/17/57/321691757.db2.gz GCOFJVZRSNFUEQ-NSHDSACASA-N 1 1 260.293 3.347 20 5 CGBDMO COc1ccc(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000565807753 322092092 /nfs/dbraw/zinc/09/20/92/322092092.db2.gz ZHFJFGDQZNVNHQ-HNNXBMFYSA-N 1 1 290.363 3.224 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)C(C)C ZINC000572410779 322335979 /nfs/dbraw/zinc/33/59/79/322335979.db2.gz PBCXBDPACSIKTF-GFCCVEGCSA-N 1 1 250.342 3.380 20 5 CGBDMO CC(F)(F)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000584008719 326846518 /nfs/dbraw/zinc/84/65/18/326846518.db2.gz DNRKAPDDRRHUFD-LBPRGKRZSA-N 1 1 284.306 3.161 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000582603423 329114385 /nfs/dbraw/zinc/11/43/85/329114385.db2.gz CTHSYIIJMGONSY-UKRRQHHQSA-N 1 1 292.379 3.464 20 5 CGBDMO C[C@H]1CCCC[C@H]1[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000195670115 336058158 /nfs/dbraw/zinc/05/81/58/336058158.db2.gz YPSLIALVKOZYAK-UONOGXRCSA-N 1 1 292.379 3.484 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000382507489 336092062 /nfs/dbraw/zinc/09/20/62/336092062.db2.gz NDVWOKYTMZBQHG-LBPRGKRZSA-N 1 1 266.316 3.498 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccc(O)c1 ZINC000383621541 336115599 /nfs/dbraw/zinc/11/55/99/336115599.db2.gz HVHKIXRVXKHQQC-SNVBAGLBSA-N 1 1 290.294 3.290 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000413434879 534327149 /nfs/dbraw/zinc/32/71/49/534327149.db2.gz GQUHUEFPRHEWLG-CYBMUJFWSA-N 1 1 277.368 3.047 20 5 CGBDMO CC[N@@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CCCC1 ZINC000891619405 618242435 /nfs/dbraw/zinc/24/24/35/618242435.db2.gz OCGLVPNMBAVSLS-UHFFFAOYSA-N 1 1 294.351 3.074 20 5 CGBDMO Cc1[nH+]cn(Cc2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC000051926914 618668608 /nfs/dbraw/zinc/66/86/08/618668608.db2.gz QMLVLKDQTBIAKM-UHFFFAOYSA-N 1 1 265.700 3.110 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CC(C2CC2)C1 ZINC000894566685 619578182 /nfs/dbraw/zinc/57/81/82/619578182.db2.gz SLNRSXHTUGYBEE-UHFFFAOYSA-N 1 1 266.728 3.090 20 5 CGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C/C=C\Cl ZINC000898428147 620584850 /nfs/dbraw/zinc/58/48/50/620584850.db2.gz HDHYMRDZLHORGT-RJRFIUFISA-N 1 1 294.660 3.456 20 5 CGBDMO COc1cc([C@H](C)[NH2+]Cc2ccco2)cc([N+](=O)[O-])c1 ZINC000903056560 621546500 /nfs/dbraw/zinc/54/65/00/621546500.db2.gz VKYYMHRMFQYAEZ-JTQLQIEISA-N 1 1 276.292 3.047 20 5 CGBDMO Cc1nc(C)c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000312477835 623523499 /nfs/dbraw/zinc/52/34/99/623523499.db2.gz KTNWQNOQLNJRTN-VIFPVBQESA-N 1 1 275.308 3.050 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1nccc2c1CCCC2 ZINC000921551020 625670273 /nfs/dbraw/zinc/67/02/73/625670273.db2.gz WSKOQDWJUFHWGE-UHFFFAOYSA-N 1 1 297.358 3.158 20 5 CGBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cccnc1 ZINC000035368189 624005976 /nfs/dbraw/zinc/00/59/76/624005976.db2.gz JXGCASDYIGMZGK-JTQLQIEISA-N 1 1 291.738 3.494 20 5 CGBDMO Cc1[nH]c(CSCc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000917351199 624262843 /nfs/dbraw/zinc/26/28/43/624262843.db2.gz UEQIFTNZHUIWJW-UHFFFAOYSA-N 1 1 277.349 3.368 20 5 CGBDMO CC[N@H+]1CCC[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000124754562 634497649 /nfs/dbraw/zinc/49/76/49/634497649.db2.gz CWKWSZSKCUIRCM-NSHDSACASA-N 1 1 283.759 3.144 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(CNc2cc[nH+]cc2Cl)c1 ZINC000756975953 626744790 /nfs/dbraw/zinc/74/47/90/626744790.db2.gz XXOBDDSTHFRYNA-UHFFFAOYSA-N 1 1 298.129 3.331 20 5 CGBDMO C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278249 628188328 /nfs/dbraw/zinc/18/83/28/628188328.db2.gz SQUIRAHMFBMRKX-DAXOMENPSA-N 1 1 292.379 3.139 20 5 CGBDMO CC1(C)CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776589430 628222408 /nfs/dbraw/zinc/22/24/08/628222408.db2.gz SJYUYVBLHWRMRP-OAHLLOKOSA-N 1 1 292.379 3.140 20 5 CGBDMO Cc1ccncc1[C@H](C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000783000441 628671674 /nfs/dbraw/zinc/67/16/74/628671674.db2.gz VKHOQKVMFKQPMA-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO CO[C@]1(C)CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000791559749 629288168 /nfs/dbraw/zinc/28/81/68/629288168.db2.gz ZOKBWMIAXHUVFK-CQSZACIVSA-N 1 1 298.770 3.249 20 5 CGBDMO CO[C@]1(C)CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000791559749 629288169 /nfs/dbraw/zinc/28/81/69/629288169.db2.gz ZOKBWMIAXHUVFK-CQSZACIVSA-N 1 1 298.770 3.249 20 5 CGBDMO O=[N+]([O-])c1ccc(Cn2c[nH+]c3c2CCCC3)cc1Cl ZINC000862430895 629370822 /nfs/dbraw/zinc/37/08/22/629370822.db2.gz DWGMPGILCKFAQZ-UHFFFAOYSA-N 1 1 291.738 3.372 20 5 CGBDMO CC(C)C(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000808740982 630374071 /nfs/dbraw/zinc/37/40/71/630374071.db2.gz UVZAAWQXKVQIOO-UHFFFAOYSA-N 1 1 290.363 3.174 20 5 CGBDMO CC(C)C(=O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000808740982 630374075 /nfs/dbraw/zinc/37/40/75/630374075.db2.gz UVZAAWQXKVQIOO-UHFFFAOYSA-N 1 1 290.363 3.174 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000804442523 630527305 /nfs/dbraw/zinc/52/73/05/630527305.db2.gz ZLVPCOWTLWQUNK-GFCCVEGCSA-N 1 1 295.770 3.144 20 5 CGBDMO C[C@H]1CCC[N@H+]1CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000804521192 630534466 /nfs/dbraw/zinc/53/44/66/630534466.db2.gz LNPVRRJBRCREJD-JTQLQIEISA-N 1 1 283.759 3.144 20 5 CGBDMO CO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000824815086 633294887 /nfs/dbraw/zinc/29/48/87/633294887.db2.gz IHYTZWQGSKLJKX-IINYFYTJSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000824815086 633294891 /nfs/dbraw/zinc/29/48/91/633294891.db2.gz IHYTZWQGSKLJKX-IINYFYTJSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000824814704 633295333 /nfs/dbraw/zinc/29/53/33/633295333.db2.gz DQGVQVBNSWVDCK-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000824814704 633295336 /nfs/dbraw/zinc/29/53/36/633295336.db2.gz DQGVQVBNSWVDCK-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO C[C@H]1C[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000122829533 633518921 /nfs/dbraw/zinc/51/89/21/633518921.db2.gz PCOPAEQAVQONPF-ONGXEEELSA-N 1 1 295.770 3.285 20 5 CGBDMO CC[C@H](C)[N@@H+](C)CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031455 633950836 /nfs/dbraw/zinc/95/08/36/633950836.db2.gz KKUNZXDTBXAFRL-NWDGAFQWSA-N 1 1 297.374 3.115 20 5 CGBDMO Cc1nccnc1[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000872130639 634052195 /nfs/dbraw/zinc/05/21/95/634052195.db2.gz JXNUVLNAVQFYNQ-SMDDNHRTSA-N 1 1 298.346 3.031 20 5 CGBDMO C[C@H]1C[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000124189704 634182605 /nfs/dbraw/zinc/18/26/05/634182605.db2.gz HZGNUFYFZXRASH-GXSJLCMTSA-N 1 1 283.759 3.143 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000877635440 635124910 /nfs/dbraw/zinc/12/49/10/635124910.db2.gz QZMDKCPCXQDNLJ-STQMWFEESA-N 1 1 260.337 3.053 20 5 CGBDMO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886011103 637360575 /nfs/dbraw/zinc/36/05/75/637360575.db2.gz VOSFJRVLJTXUNA-MRXNPFEDSA-N 1 1 297.358 3.499 20 5 CGBDMO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886011103 637360579 /nfs/dbraw/zinc/36/05/79/637360579.db2.gz VOSFJRVLJTXUNA-MRXNPFEDSA-N 1 1 297.358 3.499 20 5 CGBDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886158357 637440489 /nfs/dbraw/zinc/44/04/89/637440489.db2.gz XSGVJQXORPPORM-AAEUAGOBSA-N 1 1 263.341 3.000 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c(Cl)c1 ZINC000886568124 637584515 /nfs/dbraw/zinc/58/45/15/637584515.db2.gz AWSVYCFUVYHPBP-PHIMTYICSA-N 1 1 298.795 3.043 20 5 CGBDMO Cc1c(C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000934776046 639673731 /nfs/dbraw/zinc/67/37/31/639673731.db2.gz SUSXRVDSNVSCIM-HIFRSBDPSA-N 1 1 292.404 3.088 20 5 CGBDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC001252280595 806036327 /nfs/dbraw/zinc/03/63/27/806036327.db2.gz RDDCOZZVAHZIKA-GXTWGEPZSA-N 1 1 280.393 3.311 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)C[C@H]1CF ZINC001254551678 806447881 /nfs/dbraw/zinc/44/78/81/806447881.db2.gz CXAMTYIQMXESND-SCRDCRAPSA-N 1 1 280.343 3.206 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC001254550555 806448016 /nfs/dbraw/zinc/44/80/16/806448016.db2.gz LRYIYPQUYKQCOS-OLZOCXBDSA-N 1 1 262.353 3.400 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC2(CCC2)C1 ZINC001254559511 806449166 /nfs/dbraw/zinc/44/91/66/806449166.db2.gz KMPJYTJDOWYJFW-CYBMUJFWSA-N 1 1 274.364 3.402 20 5 CGBDMO CCCO[C@H]1CC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254562591 806451931 /nfs/dbraw/zinc/45/19/31/806451931.db2.gz NTUMDYGERPNQNH-ZFWWWQNUSA-N 1 1 292.379 3.027 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H]3CCC[C@H]3C1)C2 ZINC001254594610 806456771 /nfs/dbraw/zinc/45/67/71/806456771.db2.gz RVJTUSLGICBUAG-RVSPLBMKSA-N 1 1 286.375 3.184 20 5 CGBDMO CC[N@@H+](Cc1ccccn1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254560268 806450686 /nfs/dbraw/zinc/45/06/86/806450686.db2.gz QYVJVUMPGVOQBV-AWEZNQCLSA-N 1 1 299.374 3.443 20 5 CGBDMO C[C@@]1(F)CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599679 806458330 /nfs/dbraw/zinc/45/83/30/806458330.db2.gz OJYKRMHSYVNHEH-HZPDHXFCSA-N 1 1 292.354 3.276 20 5 CGBDMO CC(C)[N@@H+](CC1CC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598538 806458391 /nfs/dbraw/zinc/45/83/91/806458391.db2.gz HLWUZWYZCKIFGF-MRXNPFEDSA-N 1 1 274.364 3.182 20 5 CGBDMO CC(C)(C)[C@H]([NH2+]Cn1nccc1[N+](=O)[O-])c1ccccc1 ZINC000123581303 798995698 /nfs/dbraw/zinc/99/56/98/798995698.db2.gz CTYPDKPNFYLENP-CQSZACIVSA-N 1 1 288.351 3.126 20 5 CGBDMO Cc1ccc(C[NH2+][C@H](C)c2ccns2)cc1[N+](=O)[O-] ZINC000715932495 800153620 /nfs/dbraw/zinc/15/36/20/800153620.db2.gz OEQOQDRARPYWEV-SNVBAGLBSA-N 1 1 277.349 3.211 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccns1 ZINC000715973130 800157107 /nfs/dbraw/zinc/15/71/07/800157107.db2.gz BGRIIFUVVJZVNO-MRVPVSSYSA-N 1 1 281.312 3.041 20 5 CGBDMO CO[C@H](C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001116938312 802431507 /nfs/dbraw/zinc/43/15/07/802431507.db2.gz OYXYABAQZDWHLU-QGZVFWFLSA-N 1 1 298.342 3.298 20 5 CGBDMO CO[C@H](C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001116938312 802431511 /nfs/dbraw/zinc/43/15/11/802431511.db2.gz OYXYABAQZDWHLU-QGZVFWFLSA-N 1 1 298.342 3.298 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1NCC[C@H]1CCC[N@H+](C)C1 ZINC001165279842 806986360 /nfs/dbraw/zinc/98/63/60/806986360.db2.gz ZSJYTIOQICTXRR-CYBMUJFWSA-N 1 1 277.368 3.047 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2c2ccccc2)C1 ZINC001169025440 807554766 /nfs/dbraw/zinc/55/47/66/807554766.db2.gz IXTMVHHOAMPIBJ-FVQBIDKESA-N 1 1 274.364 3.269 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H](c3ccccc3F)C2)C1 ZINC001169038425 807557682 /nfs/dbraw/zinc/55/76/82/807557682.db2.gz YSQHVDGSRCIQGE-RDBSUJKOSA-N 1 1 292.354 3.060 20 5 CGBDMO CC(C)c1nc(C[N@@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cs1 ZINC001169040233 807557725 /nfs/dbraw/zinc/55/77/25/807557725.db2.gz YYYJRKDTPIPSOC-DGCLKSJQSA-N 1 1 297.424 3.144 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](c3ccccc3F)C2)C1 ZINC001169038420 807557823 /nfs/dbraw/zinc/55/78/23/807557823.db2.gz YSQHVDGSRCIQGE-HZSPNIEDSA-N 1 1 292.354 3.060 20 5 CGBDMO COc1ccc(C[C@@H](C)[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170328684 807826235 /nfs/dbraw/zinc/82/62/35/807826235.db2.gz LJZDVPUTTOGKQS-QWHCGFSZSA-N 1 1 292.379 3.409 20 5 CGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1c(F)cccc1[N+](=O)[O-] ZINC001185018156 810229831 /nfs/dbraw/zinc/22/98/31/810229831.db2.gz WVAGFGAHOJGACB-NEPJUHHUSA-N 1 1 295.358 3.266 20 5 CGBDMO Cc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC001186872719 810368663 /nfs/dbraw/zinc/36/86/63/810368663.db2.gz PMHLBQYIGYWIPO-GDBMZVCRSA-N 1 1 289.379 3.332 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(C)(C)C[C@@H]1C ZINC001195196680 811223846 /nfs/dbraw/zinc/22/38/46/811223846.db2.gz VVQCPGXDZVJRKT-NSHDSACASA-N 1 1 278.352 3.224 20 5 CGBDMO CC[C@@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H](CC)O1 ZINC001195298704 811238594 /nfs/dbraw/zinc/23/85/94/811238594.db2.gz HHXDDMGXMHQQPH-HUUCEWRRSA-N 1 1 292.379 3.293 20 5 CGBDMO Cn1c[nH+]c2cccc(Nc3cc(F)cc([N+](=O)[O-])c3)c21 ZINC001216485372 815839459 /nfs/dbraw/zinc/83/94/59/815839459.db2.gz ZJPZMMACUWQHRD-UHFFFAOYSA-N 1 1 286.266 3.364 20 5 CGBDMO Cc1ccc(CO[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC001223222605 816591008 /nfs/dbraw/zinc/59/10/08/816591008.db2.gz LKEYRKZHEHZCKS-QDMKHBRRSA-N 1 1 290.363 3.045 20 5 CGBDMO Cc1cccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c1[N+](=O)[O-] ZINC001225635263 817121404 /nfs/dbraw/zinc/12/14/04/817121404.db2.gz CPMINGXDZHHXMV-VIKVFOODSA-N 1 1 290.363 3.012 20 5 CGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001225788834 817179887 /nfs/dbraw/zinc/17/98/87/817179887.db2.gz PHOONIQUFNRHIH-LLVKDONJSA-N 1 1 298.770 3.500 20 5 CGBDMO C[N@H+]1CC[C@H](Oc2ccc3c(c2)oc2ccccc2c3=O)C1 ZINC001228181014 817832674 /nfs/dbraw/zinc/83/26/74/817832674.db2.gz XXXNDVJVYPCWEB-ZDUSSCGKSA-N 1 1 295.338 3.029 20 5 CGBDMO CC[N@H+]1CCC[C@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001228258490 817853366 /nfs/dbraw/zinc/85/33/66/817853366.db2.gz ZUFXOLYMVKIHBI-LBPRGKRZSA-N 1 1 284.743 3.111 20 5 CGBDMO CC[N@H+]1CC[C@@H](Oc2ccc3nc4ccccc4nc3c2)C1 ZINC001228740682 817995796 /nfs/dbraw/zinc/99/57/96/817995796.db2.gz KOJMWSKGHKRBCT-CQSZACIVSA-N 1 1 293.370 3.256 20 5 CGBDMO C[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001228754388 817999620 /nfs/dbraw/zinc/99/96/20/817999620.db2.gz BICQLTBCYUXCFU-SNVBAGLBSA-N 1 1 284.743 3.111 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@]23CCCOC3)cs1 ZINC001473900373 937201901 /nfs/dbraw/zinc/20/19/01/937201901.db2.gz ADTGFPXUFXICII-CQSZACIVSA-N 1 1 296.392 3.191 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@]23CCCOC3)cs1 ZINC001473900373 937201904 /nfs/dbraw/zinc/20/19/04/937201904.db2.gz ADTGFPXUFXICII-CQSZACIVSA-N 1 1 296.392 3.191 20 5 CGBDMO CCC[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC001460900315 937551591 /nfs/dbraw/zinc/55/15/91/937551591.db2.gz JFWCOIRNTOMUTA-ZDUSSCGKSA-N 1 1 278.352 3.368 20 5 CGBDMO C[N@H+]1CC[C@@H](Oc2nccc3c4ccccc4ccc32)C1 ZINC001230199577 932539554 /nfs/dbraw/zinc/53/95/54/932539554.db2.gz BWJCZHVCCGDOFQ-CQSZACIVSA-N 1 1 278.355 3.471 20 5 CGBDMO C[C@H](Oc1ccc2[nH+]c(N)[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC001230515646 932582697 /nfs/dbraw/zinc/58/26/97/932582697.db2.gz KYQWHBQWFYAIDT-VIFPVBQESA-N 1 1 298.302 3.193 20 5 CGBDMO CCC[N@@H+](CC[N+](=O)[O-])[C@@H](CC)c1ccccc1 ZINC001473126759 937793989 /nfs/dbraw/zinc/79/39/89/937793989.db2.gz ZPJXSFZTDOJTQU-AWEZNQCLSA-N 1 1 250.342 3.126 20 5 CGBDMO CC[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C ZINC001473403106 937805252 /nfs/dbraw/zinc/80/52/52/937805252.db2.gz QSJQWNYCAXIEGQ-MNOVXSKESA-N 1 1 289.335 3.356 20 5 CGBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC001473657382 937816185 /nfs/dbraw/zinc/81/61/85/937816185.db2.gz JNJWEOMHKHALRB-LQDVMPOASA-N 1 1 290.363 3.237 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC001330601279 935302057 /nfs/dbraw/zinc/30/20/57/935302057.db2.gz LCDFAVOQHCRUAV-UHFFFAOYSA-N 1 1 281.312 3.123 20 5 CGBDMO CC[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2C)C1 ZINC001333671981 935559462 /nfs/dbraw/zinc/55/94/62/935559462.db2.gz SXMSXCSGDGLDAQ-CYBMUJFWSA-N 1 1 277.368 3.047 20 5 CGBDMO CC[C@]1(C)CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001559651870 938231730 /nfs/dbraw/zinc/23/17/30/938231730.db2.gz WIUXPKLCOAHCMM-MRXNPFEDSA-N 1 1 292.379 3.486 20 5 CGBDMO Cc1noc(C[N@H+]2CCC[C@@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC001560227873 938248014 /nfs/dbraw/zinc/24/80/14/938248014.db2.gz VLYORWWVUZIPKE-CYBMUJFWSA-N 1 1 293.367 3.293 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000125403034 187183070 /nfs/dbraw/zinc/18/30/70/187183070.db2.gz DALFQQVGPSHLOI-INIZCTEOSA-N 1 1 283.331 3.327 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000125403034 187183071 /nfs/dbraw/zinc/18/30/71/187183071.db2.gz DALFQQVGPSHLOI-INIZCTEOSA-N 1 1 283.331 3.327 20 5 CGBDMO CC[C@H](CSC)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000358744207 529409650 /nfs/dbraw/zinc/40/96/50/529409650.db2.gz IMBRNFUZHFFZFS-GFCCVEGCSA-N 1 1 298.408 3.047 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C3CCC3)C2)c(F)c1 ZINC000591061793 346897387 /nfs/dbraw/zinc/89/73/87/346897387.db2.gz IPSVSMOPVBFBFA-GFCCVEGCSA-N 1 1 278.327 3.356 20 5 CGBDMO CC[C@@](C)([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000152641299 529506971 /nfs/dbraw/zinc/50/69/71/529506971.db2.gz CDENGWYZAHFQOF-CQSZACIVSA-N 1 1 291.376 3.466 20 5 CGBDMO CC[C@H](NC[C@@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423334627 529616937 /nfs/dbraw/zinc/61/69/37/529616937.db2.gz QWQHCPYEEFQAEN-HOTGVXAUSA-N 1 1 291.395 3.025 20 5 CGBDMO CCOc1cc(C[N@@H+](CC)CCSC)ccc1[N+](=O)[O-] ZINC000592201939 346971974 /nfs/dbraw/zinc/97/19/74/346971974.db2.gz JPCNDFPDKNWZTA-UHFFFAOYSA-N 1 1 298.408 3.178 20 5 CGBDMO CCC[N@H+]1CC[C@H](CNc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000461780142 534959033 /nfs/dbraw/zinc/95/90/33/534959033.db2.gz XCXIFLQUYCDMSU-GFCCVEGCSA-N 1 1 295.358 3.186 20 5 CGBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000116279207 529985187 /nfs/dbraw/zinc/98/51/87/529985187.db2.gz DFDULCIDEYGDHH-LLVKDONJSA-N 1 1 298.770 3.107 20 5 CGBDMO C[N@H+]1CCC[C@@H](CCNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000413443136 530055125 /nfs/dbraw/zinc/05/51/25/530055125.db2.gz RGBADKVJJSNVQM-JTQLQIEISA-N 1 1 299.321 3.017 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051125484 345086779 /nfs/dbraw/zinc/08/67/79/345086779.db2.gz QARFFOVGHKBLGW-CYBMUJFWSA-N 1 1 278.352 3.238 20 5 CGBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2cccc(F)c2F)c1 ZINC000052926360 345111098 /nfs/dbraw/zinc/11/10/98/345111098.db2.gz ADTHFAGHWUARCV-UHFFFAOYSA-N 1 1 278.258 3.163 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ccc([N+](=O)[O-])nc1 ZINC000076795350 345550317 /nfs/dbraw/zinc/55/03/17/345550317.db2.gz IZTCFZXMXMJSHQ-CYBMUJFWSA-N 1 1 292.383 3.056 20 5 CGBDMO Cc1[nH+]ccn1CCCCNc1cccc(F)c1[N+](=O)[O-] ZINC000078335989 345601386 /nfs/dbraw/zinc/60/13/86/345601386.db2.gz LTORVLZQNICIMN-UHFFFAOYSA-N 1 1 292.314 3.131 20 5 CGBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000078562475 345613225 /nfs/dbraw/zinc/61/32/25/345613225.db2.gz UCRJCUYMYPABNS-CQSZACIVSA-N 1 1 291.395 3.071 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+]([C@@H]1C=CCCC1)CC2 ZINC000088606431 345763261 /nfs/dbraw/zinc/76/32/61/345763261.db2.gz QGAVFTVGIVTUOQ-CQSZACIVSA-N 1 1 258.321 3.062 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000123153240 346007809 /nfs/dbraw/zinc/00/78/09/346007809.db2.gz JMLGDOKXJNQGBJ-AOOOYVTPSA-N 1 1 275.308 3.109 20 5 CGBDMO CCO[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000155435664 346153163 /nfs/dbraw/zinc/15/31/63/346153163.db2.gz CELQSGZALZKLSL-PXTSUWAFSA-N 1 1 290.363 3.109 20 5 CGBDMO O=[N+]([O-])c1ccsc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594603398 347200913 /nfs/dbraw/zinc/20/09/13/347200913.db2.gz UXGZJYZMVASBDK-QWRGUYRKSA-N 1 1 281.381 3.085 20 5 CGBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595291598 347287156 /nfs/dbraw/zinc/28/71/56/347287156.db2.gz KBKZDRZKMPWGRC-JTQLQIEISA-N 1 1 252.289 3.108 20 5 CGBDMO Cc1noc(C[N@H+](CC(C)C)C2CCCC2)c1[N+](=O)[O-] ZINC000595296884 347288489 /nfs/dbraw/zinc/28/84/89/347288489.db2.gz NIMORZCDJFTBND-UHFFFAOYSA-N 1 1 281.356 3.292 20 5 CGBDMO CC[C@H](C)[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000595599070 347323452 /nfs/dbraw/zinc/32/34/52/347323452.db2.gz KPTDQBGCQACYFO-NSHDSACASA-N 1 1 266.341 3.224 20 5 CGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](CCF)C1 ZINC000595757136 347351732 /nfs/dbraw/zinc/35/17/32/347351732.db2.gz ZYJMPAOLTLHCHH-ZDUSSCGKSA-N 1 1 296.342 3.045 20 5 CGBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000595541545 347317558 /nfs/dbraw/zinc/31/75/58/347317558.db2.gz UHJMWTRZQSTXOE-UHFFFAOYSA-N 1 1 266.316 3.354 20 5 CGBDMO CC[C@H](C)[N@@H+](CC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000595592655 347322794 /nfs/dbraw/zinc/32/27/94/347322794.db2.gz HVZZSDLZKPWCMH-JTQLQIEISA-N 1 1 254.305 3.354 20 5 CGBDMO CC(C)[N@H+]1CCCC[C@@H]1COc1c(F)cccc1[N+](=O)[O-] ZINC000596269352 347408156 /nfs/dbraw/zinc/40/81/56/347408156.db2.gz RSUBQSGJJMJDKX-GFCCVEGCSA-N 1 1 296.342 3.376 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000596306792 347413815 /nfs/dbraw/zinc/41/38/15/347413815.db2.gz ICYZUCDVVIZERS-LBPRGKRZSA-N 1 1 277.368 3.127 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000596091392 347382502 /nfs/dbraw/zinc/38/25/02/347382502.db2.gz JHMMVNIAXPVJAI-JTQLQIEISA-N 1 1 295.770 3.205 20 5 CGBDMO Cc1cc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596157013 347392008 /nfs/dbraw/zinc/39/20/08/347392008.db2.gz WKYFBRVAPQJIJC-WPRPVWTQSA-N 1 1 281.381 3.002 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c(F)c1 ZINC000599553090 347753719 /nfs/dbraw/zinc/75/37/19/347753719.db2.gz MRLVOVRVSCEXSX-OLZOCXBDSA-N 1 1 296.367 3.204 20 5 CGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1CCC(C)C ZINC000602786085 348028458 /nfs/dbraw/zinc/02/84/58/348028458.db2.gz VTFVCIARUKJMFT-AWEZNQCLSA-N 1 1 294.399 3.000 20 5 CGBDMO Cc1cc(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000603857222 348099463 /nfs/dbraw/zinc/09/94/63/348099463.db2.gz DZXPTPJUWIUMKC-TZMCWYRMSA-N 1 1 291.395 3.436 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ccccc2[N+](=O)[O-])C1 ZINC000603859695 348099733 /nfs/dbraw/zinc/09/97/33/348099733.db2.gz SRZVZQJTSXBUFQ-OKILXGFUSA-N 1 1 291.395 3.375 20 5 CGBDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc([N+](=O)[O-])s1 ZINC000604408750 348119677 /nfs/dbraw/zinc/11/96/77/348119677.db2.gz HGAVELMVLYPMNU-NSHDSACASA-N 1 1 283.397 3.333 20 5 CGBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000610001815 348360310 /nfs/dbraw/zinc/36/03/10/348360310.db2.gz BUBPKEVNKZIODU-UHFFFAOYSA-N 1 1 278.352 3.238 20 5 CGBDMO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC1 ZINC000610582180 348391051 /nfs/dbraw/zinc/39/10/51/348391051.db2.gz OAZISSUGSVRPEW-UHFFFAOYSA-N 1 1 275.308 3.110 20 5 CGBDMO C[C@H](CNc1sccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000611411748 348448531 /nfs/dbraw/zinc/44/85/31/348448531.db2.gz YQYDBYUESVIMLL-GHMZBOCLSA-N 1 1 283.397 3.331 20 5 CGBDMO CC[N@H+](Cc1ccoc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000611515968 348458081 /nfs/dbraw/zinc/45/80/81/348458081.db2.gz UNJGROVUSMKNLN-UHFFFAOYSA-N 1 1 290.319 3.219 20 5 CGBDMO CC[N@@H+](Cc1ccoc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000611515968 348458085 /nfs/dbraw/zinc/45/80/85/348458085.db2.gz UNJGROVUSMKNLN-UHFFFAOYSA-N 1 1 290.319 3.219 20 5 CGBDMO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000611783182 348475928 /nfs/dbraw/zinc/47/59/28/348475928.db2.gz AJJQBHLXYJSHLX-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000611783182 348475929 /nfs/dbraw/zinc/47/59/29/348475929.db2.gz AJJQBHLXYJSHLX-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351978353 219272643 /nfs/dbraw/zinc/27/26/43/219272643.db2.gz RMQCVHBTGGZYNW-CYBMUJFWSA-N 1 1 278.352 3.368 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC=CCC1 ZINC000615837604 348768034 /nfs/dbraw/zinc/76/80/34/348768034.db2.gz IOPOHRDBYDVGQO-JLHYYAGUSA-N 1 1 258.321 3.260 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000339567058 215248310 /nfs/dbraw/zinc/24/83/10/215248310.db2.gz KKKXLRQAPOCWLU-RYUDHWBXSA-N 1 1 278.352 3.222 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)[C@@H]1C ZINC000339567058 215248311 /nfs/dbraw/zinc/24/83/11/215248311.db2.gz KKKXLRQAPOCWLU-RYUDHWBXSA-N 1 1 278.352 3.222 20 5 CGBDMO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352028963 219293854 /nfs/dbraw/zinc/29/38/54/219293854.db2.gz QUBBQSKSJIDHRE-DTWKUNHWSA-N 1 1 270.279 3.103 20 5 CGBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352028963 219293856 /nfs/dbraw/zinc/29/38/56/219293856.db2.gz QUBBQSKSJIDHRE-DTWKUNHWSA-N 1 1 270.279 3.103 20 5 CGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ccsc1[N+](=O)[O-] ZINC000619158231 349214884 /nfs/dbraw/zinc/21/48/84/349214884.db2.gz FGAGVUKGXBHDRU-NSHDSACASA-N 1 1 283.397 3.189 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC3(CCC3)C2)cs1 ZINC000123172464 187076048 /nfs/dbraw/zinc/07/60/48/187076048.db2.gz AZRSNMGJQHWTTA-UHFFFAOYSA-N 1 1 252.339 3.032 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC3(CCC3)C2)cs1 ZINC000123172464 187076049 /nfs/dbraw/zinc/07/60/49/187076049.db2.gz AZRSNMGJQHWTTA-UHFFFAOYSA-N 1 1 252.339 3.032 20 5 CGBDMO CC[C@@H]1CC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000292315904 198241236 /nfs/dbraw/zinc/24/12/36/198241236.db2.gz DZHBGOQHPUOMSM-LLVKDONJSA-N 1 1 254.717 3.233 20 5 CGBDMO CC[C@@H]1CC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000292315904 198241237 /nfs/dbraw/zinc/24/12/37/198241237.db2.gz DZHBGOQHPUOMSM-LLVKDONJSA-N 1 1 254.717 3.233 20 5 CGBDMO CCc1[nH+]ccn1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292742154 198396446 /nfs/dbraw/zinc/39/64/46/198396446.db2.gz UWDRHBZUISOQKF-UHFFFAOYSA-N 1 1 299.252 3.421 20 5 CGBDMO Cc1cc(NC[C@@H]2CC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000301612785 201095266 /nfs/dbraw/zinc/09/52/66/201095266.db2.gz SQYFUMNJXXMQJF-AWEZNQCLSA-N 1 1 291.395 3.293 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1sccc1[N+](=O)[O-] ZINC000301980861 201285980 /nfs/dbraw/zinc/28/59/80/201285980.db2.gz GTWCTRMPTXBYDD-LLVKDONJSA-N 1 1 283.397 3.333 20 5 CGBDMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000301998008 201292638 /nfs/dbraw/zinc/29/26/38/201292638.db2.gz QLOJARRBYNVWCR-IRXDYDNUSA-N 1 1 297.358 3.452 20 5 CGBDMO Cc1c(C[N@@H+]2CCC[C@@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000451120759 240223198 /nfs/dbraw/zinc/22/31/98/240223198.db2.gz LOZONCAUJILHJY-CQSZACIVSA-N 1 1 266.316 3.227 20 5 CGBDMO Cc1c(C[N@H+]2CCC[C@@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000451120759 240223201 /nfs/dbraw/zinc/22/32/01/240223201.db2.gz LOZONCAUJILHJY-CQSZACIVSA-N 1 1 266.316 3.227 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451902173 240379732 /nfs/dbraw/zinc/37/97/32/240379732.db2.gz NWPMWGVOBWNEKF-CJNGLKHVSA-N 1 1 290.363 3.158 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC1CCOCC1 ZINC000120708882 370793648 /nfs/dbraw/zinc/79/36/48/370793648.db2.gz ZDSQUBBBONGOMJ-ZDUSSCGKSA-N 1 1 292.379 3.404 20 5 CGBDMO C[N@@H+](CCc1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC000120951356 370816286 /nfs/dbraw/zinc/81/62/86/370816286.db2.gz DYFZHSZERVLHBG-UHFFFAOYSA-N 1 1 276.361 3.331 20 5 CGBDMO C[C@H](NCC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000040767715 369161939 /nfs/dbraw/zinc/16/19/39/369161939.db2.gz XBGJVGQWWIAVAP-AWEZNQCLSA-N 1 1 291.395 3.121 20 5 CGBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C1CC1 ZINC000068913576 369751318 /nfs/dbraw/zinc/75/13/18/369751318.db2.gz KKGKAAKEBZGSOQ-SECBINFHSA-N 1 1 283.759 3.143 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000076756264 369943542 /nfs/dbraw/zinc/94/35/42/369943542.db2.gz UZWBMQKIZAKNCN-INIZCTEOSA-N 1 1 297.358 3.281 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000076756262 369943621 /nfs/dbraw/zinc/94/36/21/369943621.db2.gz UZWBMQKIZAKNCN-MRXNPFEDSA-N 1 1 297.358 3.281 20 5 CGBDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093760949 370155228 /nfs/dbraw/zinc/15/52/28/370155228.db2.gz JBAHEDHMAOAKCK-ZDUSSCGKSA-N 1 1 280.393 3.231 20 5 CGBDMO Cc1ccc([C@@H](C)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000097929004 370257530 /nfs/dbraw/zinc/25/75/30/370257530.db2.gz IEVBXQNJCKDDMC-CYBMUJFWSA-N 1 1 291.395 3.038 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000428452032 372204555 /nfs/dbraw/zinc/20/45/55/372204555.db2.gz IRQVDMVVROQQED-KGLIPLIRSA-N 1 1 260.337 3.278 20 5 CGBDMO C[C@@H]1Cc2c([nH+]cn2Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000295724505 372889399 /nfs/dbraw/zinc/88/93/99/372889399.db2.gz HHAGJCMAHKHBSA-NWDGAFQWSA-N 1 1 285.347 3.210 20 5 CGBDMO CC[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000174364923 373301168 /nfs/dbraw/zinc/30/11/68/373301168.db2.gz QPPOPXVEDSFSQW-SMDDNHRTSA-N 1 1 280.393 3.483 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(C)C)C1 ZINC000446731629 373351787 /nfs/dbraw/zinc/35/17/87/373351787.db2.gz JXZAJLNOZXLYCT-GFCCVEGCSA-N 1 1 278.352 3.081 20 5 CGBDMO Cc1ccc(C[N@H+]2CCCC23CCC3)cc1[N+](=O)[O-] ZINC000446834508 373369060 /nfs/dbraw/zinc/36/90/60/373369060.db2.gz KMVVFWSCAFEOKT-UHFFFAOYSA-N 1 1 260.337 3.422 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccnc1 ZINC000182025892 374204541 /nfs/dbraw/zinc/20/45/41/374204541.db2.gz XJABRTWEINIKIJ-GFCCVEGCSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cccnc1 ZINC000182025892 374204546 /nfs/dbraw/zinc/20/45/46/374204546.db2.gz XJABRTWEINIKIJ-GFCCVEGCSA-N 1 1 271.320 3.183 20 5 CGBDMO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000182065293 374212381 /nfs/dbraw/zinc/21/23/81/374212381.db2.gz XFYRHDBTDLWJJX-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1ccc(C[N@H+](C)[C@@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000182065293 374212391 /nfs/dbraw/zinc/21/23/91/374212391.db2.gz XFYRHDBTDLWJJX-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO CO[C@@]1(C)CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330969109 374492085 /nfs/dbraw/zinc/49/20/85/374492085.db2.gz FQRMVTUIBIRWKW-AWEZNQCLSA-N 1 1 298.770 3.249 20 5 CGBDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330969109 374492093 /nfs/dbraw/zinc/49/20/93/374492093.db2.gz FQRMVTUIBIRWKW-AWEZNQCLSA-N 1 1 298.770 3.249 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000536682449 376121830 /nfs/dbraw/zinc/12/18/30/376121830.db2.gz PLABYGUNDSFHKX-RYUDHWBXSA-N 1 1 278.352 3.224 20 5 CGBDMO CC(C)COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000337251734 376165506 /nfs/dbraw/zinc/16/55/06/376165506.db2.gz ODKOFHBEAKKNAH-UHFFFAOYSA-N 1 1 292.379 3.232 20 5 CGBDMO CC[C@H]1CC[C@H](C)[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000538956020 376280771 /nfs/dbraw/zinc/28/07/71/376280771.db2.gz HGRWLWMWSYTXGY-JSGCOSHPSA-N 1 1 262.353 3.400 20 5 CGBDMO CC1=CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000538727417 376262555 /nfs/dbraw/zinc/26/25/55/376262555.db2.gz PKLYSGINLWTHPB-XQRVVYSFSA-N 1 1 258.321 3.260 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227889580 376417525 /nfs/dbraw/zinc/41/75/25/376417525.db2.gz ILXIVMYLEHFHLC-SECBINFHSA-N 1 1 287.310 3.015 20 5 CGBDMO CCC[C@H](C)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000540506945 376378356 /nfs/dbraw/zinc/37/83/56/376378356.db2.gz DAXWAAXKKJSGCK-LBPRGKRZSA-N 1 1 250.342 3.463 20 5 CGBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000541390935 376445428 /nfs/dbraw/zinc/44/54/28/376445428.db2.gz WPIRZVNXUJHCBQ-CYBMUJFWSA-N 1 1 262.353 3.463 20 5 CGBDMO CC(C)[N@@H+](C)CCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000230141369 376486268 /nfs/dbraw/zinc/48/62/68/376486268.db2.gz CIHWVODNPHBAHY-UHFFFAOYSA-N 1 1 299.802 3.068 20 5 CGBDMO Cc1cccc(C[N@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000338924787 376578332 /nfs/dbraw/zinc/57/83/32/376578332.db2.gz JTCNDUUWJOCTBL-UHFFFAOYSA-N 1 1 286.331 3.241 20 5 CGBDMO C[C@@H](Nc1[nH+]cnc2[nH]ccc21)c1cccc([N+](=O)[O-])c1 ZINC000339135229 376701695 /nfs/dbraw/zinc/70/16/95/376701695.db2.gz JJVMUCXXDVNZJX-SECBINFHSA-N 1 1 283.291 3.039 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000544118048 376704630 /nfs/dbraw/zinc/70/46/30/376704630.db2.gz UGFKGLOBNYEZQZ-LBPRGKRZSA-N 1 1 262.353 3.463 20 5 CGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC=CCC1 ZINC000544118084 376704848 /nfs/dbraw/zinc/70/48/48/376704848.db2.gz URNNEHFSSBSMBK-OAHLLOKOSA-N 1 1 274.364 3.425 20 5 CGBDMO COc1ccc(C[N@H+]2CC[C@H](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000339675596 376803182 /nfs/dbraw/zinc/80/31/82/376803182.db2.gz DWDKZPCYXGOZOL-CQSZACIVSA-N 1 1 290.363 3.225 20 5 CGBDMO CC(C)SCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000558723917 377040045 /nfs/dbraw/zinc/04/00/45/377040045.db2.gz HUMIHQGCABJRJG-UHFFFAOYSA-N 1 1 280.393 3.095 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)CCN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000247051605 377147993 /nfs/dbraw/zinc/14/79/93/377147993.db2.gz OXDJPPPYSQBTPX-CZUORRHYSA-N 1 1 293.411 3.366 20 5 CGBDMO CC[C@@H](C)N(C)CC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000247051605 377148001 /nfs/dbraw/zinc/14/80/01/377148001.db2.gz OXDJPPPYSQBTPX-CZUORRHYSA-N 1 1 293.411 3.366 20 5 CGBDMO COC1CCC([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265226422 190167180 /nfs/dbraw/zinc/16/71/80/190167180.db2.gz PPFYLEJCXXITAR-UHFFFAOYSA-N 1 1 292.379 3.027 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CC=CCC1 ZINC000516551544 249236687 /nfs/dbraw/zinc/23/66/87/249236687.db2.gz YLJOPGBGIBQJIW-HNNXBMFYSA-N 1 1 274.364 3.425 20 5 CGBDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000519001739 249291072 /nfs/dbraw/zinc/29/10/72/249291072.db2.gz RAHHKMFBFIDKFT-ZIAGYGMSSA-N 1 1 292.379 3.484 20 5 CGBDMO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c2nccn21 ZINC000574339517 377649934 /nfs/dbraw/zinc/64/99/34/377649934.db2.gz SGWPLWSDWSSXQX-HONMWMINSA-N 1 1 298.346 3.074 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342609579 377690169 /nfs/dbraw/zinc/69/01/69/377690169.db2.gz VBNRUJXIAIXJQJ-HIFRSBDPSA-N 1 1 292.379 3.465 20 5 CGBDMO COC[C@H]1CCCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000342711374 377749551 /nfs/dbraw/zinc/74/95/51/377749551.db2.gz AFQHTXPPEHPSMW-KBPBESRZSA-N 1 1 292.379 3.404 20 5 CGBDMO Cc1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000343924527 378135548 /nfs/dbraw/zinc/13/55/48/378135548.db2.gz HKXQBUZATMRKRU-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000343924527 378135550 /nfs/dbraw/zinc/13/55/50/378135550.db2.gz HKXQBUZATMRKRU-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271054724 378442221 /nfs/dbraw/zinc/44/22/21/378442221.db2.gz CMKDOIVPSHKPFY-NSHDSACASA-N 1 1 296.367 3.232 20 5 CGBDMO C[N@@H+](CCCC1CCOCC1)Cc1ccccc1[N+](=O)[O-] ZINC000274631907 378866684 /nfs/dbraw/zinc/86/66/84/378866684.db2.gz IEJAXZBXIWASTK-UHFFFAOYSA-N 1 1 292.379 3.233 20 5 CGBDMO CSC1(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000347596891 218285142 /nfs/dbraw/zinc/28/51/42/218285142.db2.gz VTRRUXZIRZXRNI-UHFFFAOYSA-N 1 1 292.404 3.455 20 5 CGBDMO CC[N@@H+](CCOC)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000349861915 379428822 /nfs/dbraw/zinc/42/88/22/379428822.db2.gz RVENHMKKALMMQD-UHFFFAOYSA-N 1 1 280.368 3.187 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@](C)(O)CC1 ZINC000279872736 379540611 /nfs/dbraw/zinc/54/06/11/379540611.db2.gz CBXLZXHMAZHBIM-CZUORRHYSA-N 1 1 292.379 3.201 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@](C)(O)CC1 ZINC000279872741 379540809 /nfs/dbraw/zinc/54/08/09/379540809.db2.gz CBXLZXHMAZHBIM-XJKSGUPXSA-N 1 1 292.379 3.201 20 5 CGBDMO CC[C@@H]([NH2+]Cc1nccn1CC)c1cccc([N+](=O)[O-])c1 ZINC000267309791 190320212 /nfs/dbraw/zinc/32/02/12/190320212.db2.gz WWGPIAQRWWFDLF-CQSZACIVSA-N 1 1 288.351 3.052 20 5 CGBDMO CC[C@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281447209 379833751 /nfs/dbraw/zinc/83/37/51/379833751.db2.gz QJQVLNOELRLEFQ-WFASDCNBSA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1ccncc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000355599694 380724321 /nfs/dbraw/zinc/72/43/21/380724321.db2.gz DCLXXUCHMLHJJI-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO Cc1ccncc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000355599694 380724325 /nfs/dbraw/zinc/72/43/25/380724325.db2.gz DCLXXUCHMLHJJI-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279201645 194330371 /nfs/dbraw/zinc/33/03/71/194330371.db2.gz AWSQLGGHDOOEPJ-XHBSWPGZSA-N 1 1 290.363 3.155 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279201645 194330374 /nfs/dbraw/zinc/33/03/74/194330374.db2.gz AWSQLGGHDOOEPJ-XHBSWPGZSA-N 1 1 290.363 3.155 20 5 CGBDMO CO[C@]1(C)CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000279205355 194332038 /nfs/dbraw/zinc/33/20/38/194332038.db2.gz BFFROLLILWVQLU-SWLSCSKDSA-N 1 1 278.352 3.157 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279319220 194382858 /nfs/dbraw/zinc/38/28/58/194382858.db2.gz NWGJAMXSCBEDNU-XHBSWPGZSA-N 1 1 290.363 3.155 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279319220 194382860 /nfs/dbraw/zinc/38/28/60/194382860.db2.gz NWGJAMXSCBEDNU-XHBSWPGZSA-N 1 1 290.363 3.155 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000357729996 381267502 /nfs/dbraw/zinc/26/75/02/381267502.db2.gz KLNRYGLINVNXKW-NEPJUHHUSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000359993244 381402225 /nfs/dbraw/zinc/40/22/25/381402225.db2.gz RCCLGYDPLJCEHJ-VIFPVBQESA-N 1 1 254.717 3.090 20 5 CGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000360469884 381554566 /nfs/dbraw/zinc/55/45/66/381554566.db2.gz YAZYQEZHSARGRT-FZMZJTMJSA-N 1 1 278.352 3.224 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC1CCC1 ZINC000361480989 381764760 /nfs/dbraw/zinc/76/47/60/381764760.db2.gz IMBJMLSAWYFKJC-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC(C)=C(C)C1 ZINC000361621250 381842296 /nfs/dbraw/zinc/84/22/96/381842296.db2.gz VCDNWXLIEJFXDA-UHFFFAOYSA-N 1 1 276.336 3.146 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC(C)=C(C)C1 ZINC000361621250 381842300 /nfs/dbraw/zinc/84/23/00/381842300.db2.gz VCDNWXLIEJFXDA-UHFFFAOYSA-N 1 1 276.336 3.146 20 5 CGBDMO CC[N@@H+](CCC1CC1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000362192943 381906410 /nfs/dbraw/zinc/90/64/10/381906410.db2.gz XDMWEOKCUFXTGL-UHFFFAOYSA-N 1 1 296.342 3.365 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000362315826 381941447 /nfs/dbraw/zinc/94/14/47/381941447.db2.gz IOKFHZGORGQTFL-WDEREUQCSA-N 1 1 296.342 3.363 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3sccc3C2)cc1 ZINC000039614469 285114150 /nfs/dbraw/zinc/11/41/50/285114150.db2.gz DBSHCYDRBLCPGO-UHFFFAOYSA-N 1 1 274.345 3.215 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCc3sccc3C2)cc1 ZINC000039614469 285114152 /nfs/dbraw/zinc/11/41/52/285114152.db2.gz DBSHCYDRBLCPGO-UHFFFAOYSA-N 1 1 274.345 3.215 20 5 CGBDMO CC[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000281304299 195189311 /nfs/dbraw/zinc/18/93/11/195189311.db2.gz PXOLJRBSFGTZJY-SBJJXXPASA-N 1 1 290.363 3.109 20 5 CGBDMO Cc1c(C[N@@H+]2CCSC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000190466969 130107032 /nfs/dbraw/zinc/10/70/32/130107032.db2.gz IVGBSGZWKHGYEG-LLVKDONJSA-N 1 1 280.393 3.088 20 5 CGBDMO Cc1c(C[N@H+]2CCS[C@H](C)CC2)cccc1[N+](=O)[O-] ZINC000192173238 130386383 /nfs/dbraw/zinc/38/63/83/130386383.db2.gz FJAJRDYKCGOCRL-LLVKDONJSA-N 1 1 280.393 3.231 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000068836798 392168655 /nfs/dbraw/zinc/16/86/55/392168655.db2.gz RKBIOCKRQXNGTH-MRXNPFEDSA-N 1 1 297.358 3.281 20 5 CGBDMO CCCO[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000108393784 392342153 /nfs/dbraw/zinc/34/21/53/392342153.db2.gz UYXUVDCZIYDFHD-MRXNPFEDSA-N 1 1 292.379 3.376 20 5 CGBDMO Cc1c([C@@H](C)N[C@H](C)C[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000290229748 392444220 /nfs/dbraw/zinc/44/42/20/392444220.db2.gz RNQLAHLHCLHFSD-TZMCWYRMSA-N 1 1 293.411 3.283 20 5 CGBDMO Cc1c([C@@H](C)[NH2+][C@H](C)CN(C)C(C)C)cccc1[N+](=O)[O-] ZINC000290229748 392444224 /nfs/dbraw/zinc/44/42/24/392444224.db2.gz RNQLAHLHCLHFSD-TZMCWYRMSA-N 1 1 293.411 3.283 20 5 CGBDMO COCc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000296196559 392554690 /nfs/dbraw/zinc/55/46/90/392554690.db2.gz YWHSWMRDEWSCOE-NSHDSACASA-N 1 1 290.319 3.185 20 5 CGBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000158718505 392573896 /nfs/dbraw/zinc/57/38/96/392573896.db2.gz JRWUVJVQPSIMKW-BBRMVZONSA-N 1 1 292.379 3.110 20 5 CGBDMO C[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505605763 392679858 /nfs/dbraw/zinc/67/98/58/392679858.db2.gz FCWZGTAAEBKSSS-SNVBAGLBSA-N 1 1 252.289 3.108 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505605763 392679861 /nfs/dbraw/zinc/67/98/61/392679861.db2.gz FCWZGTAAEBKSSS-SNVBAGLBSA-N 1 1 252.289 3.108 20 5 CGBDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332229335 392698635 /nfs/dbraw/zinc/69/86/35/392698635.db2.gz LNFJQISQWIWFEP-QWRGUYRKSA-N 1 1 288.351 3.092 20 5 CGBDMO COC[C@@H]1CCCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000342711381 393004645 /nfs/dbraw/zinc/00/46/45/393004645.db2.gz AFQHTXPPEHPSMW-UONOGXRCSA-N 1 1 292.379 3.404 20 5 CGBDMO Cc1c(C[N@H+](C)CCCOC(C)C)cccc1[N+](=O)[O-] ZINC000265916616 393173127 /nfs/dbraw/zinc/17/31/27/393173127.db2.gz ZDENJTDYLMLCEK-UHFFFAOYSA-N 1 1 280.368 3.150 20 5 CGBDMO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000269712087 393229912 /nfs/dbraw/zinc/22/99/12/393229912.db2.gz QCJCMZHBMAPFFM-INIZCTEOSA-N 1 1 292.379 3.283 20 5 CGBDMO CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000269712089 393231222 /nfs/dbraw/zinc/23/12/22/393231222.db2.gz QCJCMZHBMAPFFM-MRXNPFEDSA-N 1 1 292.379 3.283 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000429135839 393468258 /nfs/dbraw/zinc/46/82/58/393468258.db2.gz NZDPUWUKHRWCAZ-CYBMUJFWSA-N 1 1 298.342 3.378 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000429135839 393468269 /nfs/dbraw/zinc/46/82/69/393468269.db2.gz NZDPUWUKHRWCAZ-CYBMUJFWSA-N 1 1 298.342 3.378 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C(C)C ZINC000430192460 393536284 /nfs/dbraw/zinc/53/62/84/393536284.db2.gz ARKYSYZIRGHPFN-AWEZNQCLSA-N 1 1 278.352 3.224 20 5 CGBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000489433922 393597238 /nfs/dbraw/zinc/59/72/38/393597238.db2.gz BWCJLQZIGKBSFN-GFCCVEGCSA-N 1 1 268.744 3.479 20 5 CGBDMO C[C@H]1CC2(CCC2)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000432791215 393639500 /nfs/dbraw/zinc/63/95/00/393639500.db2.gz ZBUPDYSYMPMVMM-LBPRGKRZSA-N 1 1 260.337 3.359 20 5 CGBDMO C[C@H]1CC2(CCC2)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000432787508 393639813 /nfs/dbraw/zinc/63/98/13/393639813.db2.gz GXQVXKFFXKANSG-LBPRGKRZSA-N 1 1 260.337 3.359 20 5 CGBDMO CCC[C@H](N[C@H]1CC[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000423409063 393666709 /nfs/dbraw/zinc/66/67/09/393666709.db2.gz YLZQZIGGVSCXQN-KCXAZCMYSA-N 1 1 291.395 3.024 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000441682093 393737430 /nfs/dbraw/zinc/73/74/30/393737430.db2.gz RKBSTJFNRDTMRN-MGPQQGTHSA-N 1 1 290.363 3.014 20 5 CGBDMO CO[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000443072668 393742662 /nfs/dbraw/zinc/74/26/62/393742662.db2.gz VPOAUWWRILTQPS-HIINFBLBSA-N 1 1 290.363 3.107 20 5 CGBDMO CCOc1cc(C[N@@H+](C)CC(C)C)ccc1[N+](=O)[O-] ZINC000492565976 393755494 /nfs/dbraw/zinc/75/54/94/393755494.db2.gz YFOKJPXEQUMEHA-UHFFFAOYSA-N 1 1 266.341 3.081 20 5 CGBDMO C[C@H]1CC2(CCC2)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000433238208 393702132 /nfs/dbraw/zinc/70/21/32/393702132.db2.gz FADWYSJJZKKMHL-ZDUSSCGKSA-N 1 1 274.364 3.402 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000449543122 393892946 /nfs/dbraw/zinc/89/29/46/393892946.db2.gz SCQGQCGCEWIOGR-JKSUJKDBSA-N 1 1 272.348 3.215 20 5 CGBDMO Cn1cccc1[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000076612863 287035315 /nfs/dbraw/zinc/03/53/15/287035315.db2.gz AWZKLLBDDJVYNK-KRWDZBQOSA-N 1 1 299.374 3.313 20 5 CGBDMO C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000077318824 287038760 /nfs/dbraw/zinc/03/87/60/287038760.db2.gz OJNFPXSHYMIOBR-NXEZZACHSA-N 1 1 254.355 3.277 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000077318824 287038762 /nfs/dbraw/zinc/03/87/62/287038762.db2.gz OJNFPXSHYMIOBR-NXEZZACHSA-N 1 1 254.355 3.277 20 5 CGBDMO CC(C)[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCS1 ZINC000076065172 165109249 /nfs/dbraw/zinc/10/92/49/165109249.db2.gz SFPKJRUTGLIZCG-CQSZACIVSA-N 1 1 298.383 3.307 20 5 CGBDMO CC(C)[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCS1 ZINC000076065172 165109252 /nfs/dbraw/zinc/10/92/52/165109252.db2.gz SFPKJRUTGLIZCG-CQSZACIVSA-N 1 1 298.383 3.307 20 5 CGBDMO Cc1c(C[NH2+][C@H](C)c2nccs2)cccc1[N+](=O)[O-] ZINC000080305113 165154180 /nfs/dbraw/zinc/15/41/80/165154180.db2.gz NJNOXXNDOIXCSF-SNVBAGLBSA-N 1 1 277.349 3.211 20 5 CGBDMO C[C@@H]1[C@H](C)SCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093499834 287117162 /nfs/dbraw/zinc/11/71/62/287117162.db2.gz MUANCIBOSZIRRM-JOVKLMRISA-N 1 1 292.404 3.434 20 5 CGBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCC1 ZINC000119235653 287166850 /nfs/dbraw/zinc/16/68/50/287166850.db2.gz GHKAQRWFTZKRPN-UHFFFAOYSA-N 1 1 254.717 3.233 20 5 CGBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCC1 ZINC000119235653 287166852 /nfs/dbraw/zinc/16/68/52/287166852.db2.gz GHKAQRWFTZKRPN-UHFFFAOYSA-N 1 1 254.717 3.233 20 5 CGBDMO C[C@@H](c1cccnc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285236579 196229063 /nfs/dbraw/zinc/22/90/63/196229063.db2.gz GHEXXECXIMTRRW-ZDUSSCGKSA-N 1 1 285.347 3.225 20 5 CGBDMO Cc1c([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cnn1C ZINC000037167626 173001552 /nfs/dbraw/zinc/00/15/52/173001552.db2.gz FCRVXPFXKINGAQ-MNOVXSKESA-N 1 1 288.351 3.049 20 5 CGBDMO CC(C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000044572643 175210292 /nfs/dbraw/zinc/21/02/92/175210292.db2.gz XWHXLIRTEZWWLV-SNVBAGLBSA-N 1 1 283.759 3.143 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000525640069 260779029 /nfs/dbraw/zinc/77/90/29/260779029.db2.gz NXQDHPCRDZHERJ-KGLIPLIRSA-N 1 1 292.379 3.484 20 5 CGBDMO O=[N+]([O-])c1ccccc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000046228900 270039479 /nfs/dbraw/zinc/03/94/79/270039479.db2.gz ORNFQWIOUAHOTC-HNNXBMFYSA-N 1 1 297.358 3.281 20 5 CGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1cccc(O)c1 ZINC000533255481 270222347 /nfs/dbraw/zinc/22/23/47/270222347.db2.gz UNXFBEAXDMZCBA-VMPITWQZSA-N 1 1 298.342 3.446 20 5 CGBDMO CO[C@H](CC(C)C)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000419269737 274076470 /nfs/dbraw/zinc/07/64/70/274076470.db2.gz PFYHZLXYBJPOFA-OAHLLOKOSA-N 1 1 294.395 3.130 20 5 CGBDMO C[C@@H](CNc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000339001437 274226242 /nfs/dbraw/zinc/22/62/42/274226242.db2.gz HQPBHJSCCMYJHM-OLZOCXBDSA-N 1 1 277.368 3.270 20 5 CGBDMO CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000156570576 276174364 /nfs/dbraw/zinc/17/43/64/276174364.db2.gz RIZXHGOZSJXLHS-UONOGXRCSA-N 1 1 291.395 3.038 20 5 CGBDMO CC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000156570576 276174365 /nfs/dbraw/zinc/17/43/65/276174365.db2.gz RIZXHGOZSJXLHS-UONOGXRCSA-N 1 1 291.395 3.038 20 5 CGBDMO CSCC[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000126444983 278131943 /nfs/dbraw/zinc/13/19/43/278131943.db2.gz DPTKTYJVYRJKCI-NSHDSACASA-N 1 1 268.382 3.168 20 5 CGBDMO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc([N+](=O)[O-])cc1 ZINC000271546494 278371868 /nfs/dbraw/zinc/37/18/68/278371868.db2.gz UIHOXTDKKIKMGO-QMTHXVAHSA-N 1 1 286.335 3.046 20 5 CGBDMO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc([N+](=O)[O-])cc1 ZINC000271546494 278371869 /nfs/dbraw/zinc/37/18/69/278371869.db2.gz UIHOXTDKKIKMGO-QMTHXVAHSA-N 1 1 286.335 3.046 20 5 CGBDMO Cc1cnccc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000521779538 288138546 /nfs/dbraw/zinc/13/85/46/288138546.db2.gz RTWPMRJDZNXZMI-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1cnccc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000521779538 288138549 /nfs/dbraw/zinc/13/85/49/288138549.db2.gz RTWPMRJDZNXZMI-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO CC(C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000552209870 289172250 /nfs/dbraw/zinc/17/22/50/289172250.db2.gz BRBQVWDVBNIPTC-UHFFFAOYSA-N 1 1 280.368 3.470 20 5 CGBDMO COC1(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000555339658 289340056 /nfs/dbraw/zinc/34/00/56/289340056.db2.gz FVSWMVXNMSCRBR-UHFFFAOYSA-N 1 1 292.379 3.028 20 5 CGBDMO Cc1cccc(N[C@H](C)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000388763537 328300543 /nfs/dbraw/zinc/30/05/43/328300543.db2.gz LFCHEGLLDUHTJJ-GFCCVEGCSA-N 1 1 265.357 3.044 20 5 CGBDMO CC(F)(F)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000584008718 326846552 /nfs/dbraw/zinc/84/65/52/326846552.db2.gz DNRKAPDDRRHUFD-GFCCVEGCSA-N 1 1 284.306 3.161 20 5 CGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000384261845 336122984 /nfs/dbraw/zinc/12/29/84/336122984.db2.gz LNVMFJQSPINPQT-IINYFYTJSA-N 1 1 266.316 3.354 20 5 CGBDMO Cc1ccc([C@H](C)NC[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423234321 534226121 /nfs/dbraw/zinc/22/61/21/534226121.db2.gz FOGQDHADDXTUCJ-BBRMVZONSA-N 1 1 299.374 3.254 20 5 CGBDMO C[C@H](C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000183958163 524295493 /nfs/dbraw/zinc/29/54/93/524295493.db2.gz UBNIHRZZKVWOIK-LLVKDONJSA-N 1 1 291.376 3.287 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC2(CCCC2)C1 ZINC000158003875 526079440 /nfs/dbraw/zinc/07/94/40/526079440.db2.gz CFZOXXTVVVCAGR-ZDUSSCGKSA-N 1 1 290.363 3.301 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOC2(CCCC2)C1 ZINC000158003875 526079448 /nfs/dbraw/zinc/07/94/48/526079448.db2.gz CFZOXXTVVVCAGR-ZDUSSCGKSA-N 1 1 290.363 3.301 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)C1CC1 ZINC000175058369 528612467 /nfs/dbraw/zinc/61/24/67/528612467.db2.gz UYLIMRYJKVYNJN-NSHDSACASA-N 1 1 278.352 3.224 20 5 CGBDMO CCCC[C@H](CN)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423293777 528955627 /nfs/dbraw/zinc/95/56/27/528955627.db2.gz ASKGTGOWHBILOB-HIFRSBDPSA-N 1 1 279.384 3.153 20 5 CGBDMO CC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(F)F ZINC000449361923 529205490 /nfs/dbraw/zinc/20/54/90/529205490.db2.gz LTJIXNOPMRZMNX-MWLCHTKSSA-N 1 1 272.295 3.159 20 5 CGBDMO CC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000727833697 571772281 /nfs/dbraw/zinc/77/22/81/571772281.db2.gz YOYLLIMXGDQWQO-LBPRGKRZSA-N 1 1 252.289 3.108 20 5 CGBDMO CC(C)(C)[N@H+]1CCCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000732568321 572472382 /nfs/dbraw/zinc/47/23/82/572472382.db2.gz PQRFZEZRSBNTOS-UHFFFAOYSA-N 1 1 295.358 3.045 20 5 CGBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000743385221 572656266 /nfs/dbraw/zinc/65/62/66/572656266.db2.gz FOKXDNAPSPKUJP-UHFFFAOYSA-N 1 1 292.383 3.185 20 5 CGBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCCC2(C1)CCCCCC2 ZINC000743385221 572656270 /nfs/dbraw/zinc/65/62/70/572656270.db2.gz FOKXDNAPSPKUJP-UHFFFAOYSA-N 1 1 292.383 3.185 20 5 CGBDMO COc1cc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000926890031 618976768 /nfs/dbraw/zinc/97/67/68/618976768.db2.gz ACMCEQFKDNLFLB-ZJUUUORDSA-N 1 1 291.307 3.003 20 5 CGBDMO C[C@@H]([NH2+]Cc1cccnc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000105420811 619236593 /nfs/dbraw/zinc/23/65/93/619236593.db2.gz BLZGPPNNQCKHKD-SNVBAGLBSA-N 1 1 291.738 3.494 20 5 CGBDMO Cc1nn(C[N@H+](C)[C@H]2CCC[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000841690892 619278049 /nfs/dbraw/zinc/27/80/49/619278049.db2.gz XMVYIQOPOWJBRT-STQMWFEESA-N 1 1 294.399 3.204 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)cc1Cl ZINC000895778618 619884716 /nfs/dbraw/zinc/88/47/16/619884716.db2.gz AVQGOYRXLFIVCM-PHIMTYICSA-N 1 1 298.795 3.043 20 5 CGBDMO C[N@@H+](CCCF)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895896434 619905839 /nfs/dbraw/zinc/90/58/39/619905839.db2.gz UQTNBXLCJGXXQX-UHFFFAOYSA-N 1 1 260.696 3.040 20 5 CGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C/C=C/Cl)c1 ZINC000898435981 620588060 /nfs/dbraw/zinc/58/80/60/620588060.db2.gz OWHNKTPXNFVYKH-DAFODLJHSA-N 1 1 292.669 3.038 20 5 CGBDMO COc1cc([C@H](C)[NH2+]Cc2occc2C)cc([N+](=O)[O-])c1 ZINC000903175825 621613889 /nfs/dbraw/zinc/61/38/89/621613889.db2.gz WDHKCJFGQPIQCB-NSHDSACASA-N 1 1 290.319 3.356 20 5 CGBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1C ZINC000816648868 625598147 /nfs/dbraw/zinc/59/81/47/625598147.db2.gz QDCICVSEFKTJIY-IUCAKERBSA-N 1 1 254.717 3.088 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1C ZINC000816648868 625598154 /nfs/dbraw/zinc/59/81/54/625598154.db2.gz QDCICVSEFKTJIY-IUCAKERBSA-N 1 1 254.717 3.088 20 5 CGBDMO C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154361342 624260887 /nfs/dbraw/zinc/26/08/87/624260887.db2.gz CVIOWJJXELZVET-IOASZLSFSA-N 1 1 292.379 3.139 20 5 CGBDMO C[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000752074237 626417573 /nfs/dbraw/zinc/41/75/73/626417573.db2.gz DWCVZEOFGIYRLG-VIFPVBQESA-N 1 1 254.717 3.233 20 5 CGBDMO CCO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761509939 627046615 /nfs/dbraw/zinc/04/66/15/627046615.db2.gz CXEFNZFAJXVZNB-LBPRGKRZSA-N 1 1 298.770 3.249 20 5 CGBDMO CCO[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761509939 627046617 /nfs/dbraw/zinc/04/66/17/627046617.db2.gz CXEFNZFAJXVZNB-LBPRGKRZSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H]1CCOC1 ZINC000761505136 627046645 /nfs/dbraw/zinc/04/66/45/627046645.db2.gz GLDHEEOGWPMZLR-GFCCVEGCSA-N 1 1 298.770 3.107 20 5 CGBDMO CC[C@H](NCC[N@@H+]1CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000766269256 627308521 /nfs/dbraw/zinc/30/85/21/627308521.db2.gz MEKKGOLJRTWDLG-CJNGLKHVSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[C@H](NCC[N@H+]1CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000766269256 627308524 /nfs/dbraw/zinc/30/85/24/627308524.db2.gz MEKKGOLJRTWDLG-CJNGLKHVSA-N 1 1 291.395 3.120 20 5 CGBDMO CC1CCC([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776272802 628187518 /nfs/dbraw/zinc/18/75/18/628187518.db2.gz WXKWNHQVIDYVAO-LDZOIKDWSA-N 1 1 292.379 3.139 20 5 CGBDMO C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278255 628188719 /nfs/dbraw/zinc/18/87/19/628188719.db2.gz SQUIRAHMFBMRKX-WQVCFCJDSA-N 1 1 292.379 3.139 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(F)n2)cc1Cl ZINC000783649082 628735426 /nfs/dbraw/zinc/73/54/26/628735426.db2.gz ULNYIVGOKQUTSW-UHFFFAOYSA-N 1 1 295.701 3.072 20 5 CGBDMO Cc1ccc(C[NH+]2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000793361303 629447851 /nfs/dbraw/zinc/44/78/51/629447851.db2.gz GKNLCLDDISKKJM-UHFFFAOYSA-N 1 1 270.279 3.134 20 5 CGBDMO CCn1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000801549756 630342975 /nfs/dbraw/zinc/34/29/75/630342975.db2.gz YXDZKKZDOYPHHP-UHFFFAOYSA-N 1 1 291.326 3.187 20 5 CGBDMO CCn1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000801549756 630342976 /nfs/dbraw/zinc/34/29/76/630342976.db2.gz YXDZKKZDOYPHHP-UHFFFAOYSA-N 1 1 291.326 3.187 20 5 CGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCOC1 ZINC000812776081 631305674 /nfs/dbraw/zinc/30/56/74/631305674.db2.gz IKZADBAEEPADDE-GFCCVEGCSA-N 1 1 298.770 3.248 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](C)OC ZINC000812807275 631316675 /nfs/dbraw/zinc/31/66/75/631316675.db2.gz HXBOXWLIFOEDLO-SNVBAGLBSA-N 1 1 286.759 3.105 20 5 CGBDMO C[N@@H+](CCC[C@H]1CCO1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000876552625 634855800 /nfs/dbraw/zinc/85/58/00/634855800.db2.gz XLVGEYHPFVQCJD-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866583988 633203354 /nfs/dbraw/zinc/20/33/54/633203354.db2.gz WGJWKRYMUYVZJS-JHJVBQTASA-N 1 1 292.404 3.341 20 5 CGBDMO C[C@]1(F)CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000830206754 633839399 /nfs/dbraw/zinc/83/93/99/633839399.db2.gz WNWVRZWVVVNTFF-HNNXBMFYSA-N 1 1 296.342 3.188 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@@H]2C2CC2)cc1F ZINC000831777498 633999339 /nfs/dbraw/zinc/99/93/39/633999339.db2.gz AQAKTLDLFOWSBN-CQSZACIVSA-N 1 1 296.367 3.061 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@@H]2C2CC2)cc1F ZINC000831777498 633999344 /nfs/dbraw/zinc/99/93/44/633999344.db2.gz AQAKTLDLFOWSBN-CQSZACIVSA-N 1 1 296.367 3.061 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832468388 634063190 /nfs/dbraw/zinc/06/31/90/634063190.db2.gz IEZGVORQQXPUKN-ZENOOKHLSA-N 1 1 292.379 3.139 20 5 CGBDMO C[C@@H]1CCC(C)(C)[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000832565291 634072271 /nfs/dbraw/zinc/07/22/71/634072271.db2.gz RSFYOAZRBPVMSG-SNVBAGLBSA-N 1 1 266.316 3.497 20 5 CGBDMO Cc1nn(C[N@H+](C)[C@@H]2CCC[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000841690889 635212468 /nfs/dbraw/zinc/21/24/68/635212468.db2.gz XMVYIQOPOWJBRT-CHWSQXEVSA-N 1 1 294.399 3.204 20 5 CGBDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000877814596 635223319 /nfs/dbraw/zinc/22/33/19/635223319.db2.gz UQINJIYFDJTACP-LBPRGKRZSA-N 1 1 288.269 3.369 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1F ZINC000879530017 635806122 /nfs/dbraw/zinc/80/61/22/635806122.db2.gz JLFHTCYNPHYNBI-BETUJISGSA-N 1 1 276.311 3.132 20 5 CGBDMO CCc1ccc(NCc2ccc(OC)c([N+](=O)[O-])c2)[nH+]c1 ZINC000883385632 636726690 /nfs/dbraw/zinc/72/66/90/636726690.db2.gz PJIWGHCAXJGNND-UHFFFAOYSA-N 1 1 287.319 3.173 20 5 CGBDMO Cc1ccc(C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])cc1C ZINC000886238977 637467565 /nfs/dbraw/zinc/46/75/65/637467565.db2.gz MYESTODBZYIYBB-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO Cc1ccc(C[N@H+](C)Cc2cccnc2[N+](=O)[O-])cc1C ZINC000886238977 637467568 /nfs/dbraw/zinc/46/75/68/637467568.db2.gz MYESTODBZYIYBB-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000886249352 637469946 /nfs/dbraw/zinc/46/99/46/637469946.db2.gz IQVNADXIRAMUOB-CYBMUJFWSA-N 1 1 275.352 3.002 20 5 CGBDMO C[C@@H]([NH2+][C@H]1CCc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000886561718 637583027 /nfs/dbraw/zinc/58/30/27/637583027.db2.gz HFNWTNFJOQTEDQ-RISCZKNCSA-N 1 1 283.331 3.328 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](C)(F)C1 ZINC001254553778 806448975 /nfs/dbraw/zinc/44/89/75/806448975.db2.gz YXXCTCVPKRZBLI-SWLSCSKDSA-N 1 1 280.343 3.350 20 5 CGBDMO CC(C)O[C@@H]1CC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254565351 806451514 /nfs/dbraw/zinc/45/15/14/806451514.db2.gz OPRNKJMWVKGKRU-DZGCQCFKSA-N 1 1 292.379 3.025 20 5 CGBDMO CC[C@H]1CCC[N@H+]1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254562419 806451830 /nfs/dbraw/zinc/45/18/30/806451830.db2.gz MFHTYBQNZZPVPW-JSGCOSHPSA-N 1 1 262.353 3.400 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCCC3(CCC3)C1)C2 ZINC001254610593 806461570 /nfs/dbraw/zinc/46/15/70/806461570.db2.gz LLPDRGJFBSQYRU-INIZCTEOSA-N 1 1 286.375 3.328 20 5 CGBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000036785316 798850832 /nfs/dbraw/zinc/85/08/32/798850832.db2.gz LUDZIMRBXOTAMR-VIFPVBQESA-N 1 1 268.744 3.479 20 5 CGBDMO CO[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000687218920 799737266 /nfs/dbraw/zinc/73/72/66/799737266.db2.gz HEQSPXASHHGTRC-PWSUYJOCSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000687218920 799737273 /nfs/dbraw/zinc/73/72/73/799737273.db2.gz HEQSPXASHHGTRC-PWSUYJOCSA-N 1 1 298.770 3.248 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000707144908 799972839 /nfs/dbraw/zinc/97/28/39/799972839.db2.gz OERXELXABGKZPD-AOOOYVTPSA-N 1 1 252.289 3.107 20 5 CGBDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000707697913 799977579 /nfs/dbraw/zinc/97/75/79/799977579.db2.gz UDQCNYXDXZSZRK-NWDGAFQWSA-N 1 1 298.383 3.450 20 5 CGBDMO CCCc1[nH+]ccn1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000714028865 800117063 /nfs/dbraw/zinc/11/70/63/800117063.db2.gz ONIFMUACPKQKGD-UHFFFAOYSA-N 1 1 259.309 3.101 20 5 CGBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC001164378789 806943045 /nfs/dbraw/zinc/94/30/45/806943045.db2.gz BFRCUBARBMLJQG-MVWJERBFSA-N 1 1 295.770 3.000 20 5 CGBDMO C[C@@]1(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCCS1 ZINC001118939693 802620317 /nfs/dbraw/zinc/62/03/17/802620317.db2.gz YJOLQDFITSFLTB-AWEZNQCLSA-N 1 1 278.377 3.196 20 5 CGBDMO C[C@@]1(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCCS1 ZINC001118939693 802620320 /nfs/dbraw/zinc/62/03/20/802620320.db2.gz YJOLQDFITSFLTB-AWEZNQCLSA-N 1 1 278.377 3.196 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1C[C@@H]3[C@H](C1)C3(F)F)C2 ZINC001119759246 802697924 /nfs/dbraw/zinc/69/79/24/802697924.db2.gz LFHPZGJTTGIHGN-KFKUMKOWSA-N 1 1 294.301 3.202 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1C[C@@H]3[C@H](C1)C3(F)F)C2 ZINC001119759246 802697927 /nfs/dbraw/zinc/69/79/27/802697927.db2.gz LFHPZGJTTGIHGN-KFKUMKOWSA-N 1 1 294.301 3.202 20 5 CGBDMO C[N@H+]1CCC[C@H](CCNc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001165279402 806986774 /nfs/dbraw/zinc/98/67/74/806986774.db2.gz URHMGQZZWDQTCY-SNVBAGLBSA-N 1 1 299.321 3.017 20 5 CGBDMO C[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008656 807551587 /nfs/dbraw/zinc/55/15/87/807551587.db2.gz SUAPLHGCYNDSJJ-UMVBOHGHSA-N 1 1 274.364 3.051 20 5 CGBDMO CCc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169035149 807555307 /nfs/dbraw/zinc/55/53/07/807555307.db2.gz AQKGONSJGDPHFB-CVEARBPZSA-N 1 1 276.380 3.126 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2c2ccccc2F)C1 ZINC001169035748 807555801 /nfs/dbraw/zinc/55/58/01/807555801.db2.gz LNXHEVSQAHPFLL-XJKCOSOUSA-N 1 1 292.354 3.408 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCc3cccc(Cl)c3C2)C1 ZINC001169036513 807556066 /nfs/dbraw/zinc/55/60/66/807556066.db2.gz GFARUBUXSKVDTO-YPMHNXCESA-N 1 1 294.782 3.144 20 5 CGBDMO CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040147 807557914 /nfs/dbraw/zinc/55/79/14/807557914.db2.gz YGQHAJYCZUMDRU-HIFRSBDPSA-N 1 1 280.343 3.093 20 5 CGBDMO CCO[C@@H]1CCC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173227569 808541639 /nfs/dbraw/zinc/54/16/39/808541639.db2.gz QWQODLHCSXYPBG-XJKSGUPXSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cncs1 ZINC001173230218 808543417 /nfs/dbraw/zinc/54/34/17/808543417.db2.gz CVUYJOLYKRQVMX-NSHDSACASA-N 1 1 291.376 3.114 20 5 CGBDMO COc1cc[nH+]c(Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001213661572 815319927 /nfs/dbraw/zinc/31/99/27/815319927.db2.gz OAJKFVKBMLAILC-UHFFFAOYSA-N 1 1 259.265 3.050 20 5 CGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1c(F)cccc1[N+](=O)[O-] ZINC001185018158 810229794 /nfs/dbraw/zinc/22/97/94/810229794.db2.gz WVAGFGAHOJGACB-RYUDHWBXSA-N 1 1 295.358 3.266 20 5 CGBDMO Cc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])s1 ZINC001186871940 810367094 /nfs/dbraw/zinc/36/70/94/810367094.db2.gz DYCVVUAUFGYWNQ-YPMHNXCESA-N 1 1 295.408 3.394 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1Nc1cc[nH+]cc1C(F)(F)F ZINC001211283536 814869856 /nfs/dbraw/zinc/86/98/56/814869856.db2.gz CWSRVGDIKOQHQR-UHFFFAOYSA-N 1 1 297.236 3.483 20 5 CGBDMO C[C@H](O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC001224020675 816721928 /nfs/dbraw/zinc/72/19/28/816721928.db2.gz ZNUHTOIEKQJYHW-DANNLKNASA-N 1 1 290.363 3.298 20 5 CGBDMO CC[N@H+]1CCC[C@H](O[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001224025474 816723021 /nfs/dbraw/zinc/72/30/21/816723021.db2.gz MPSRCTMIOSSSHV-DOMZBBRYSA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001226971518 817521709 /nfs/dbraw/zinc/52/17/09/817521709.db2.gz PELOOZLEDDREMN-ZDUSSCGKSA-N 1 1 278.352 3.155 20 5 CGBDMO C[N@H+]1CC[C@@H](Oc2nc3ccccc3c3ccccc32)C1 ZINC001226993857 817528363 /nfs/dbraw/zinc/52/83/63/817528363.db2.gz ZKXYCJHSWBCKCJ-CYBMUJFWSA-N 1 1 278.355 3.471 20 5 CGBDMO CC(C)[N@H+]1CCC[C@H](Oc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001228001276 817779824 /nfs/dbraw/zinc/77/98/24/817779824.db2.gz VKBJOTJJMJFVOH-NSHDSACASA-N 1 1 298.770 3.500 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218873 818282704 /nfs/dbraw/zinc/28/27/04/818282704.db2.gz NQOFWOVHSQIWOT-MRXNPFEDSA-N 1 1 293.370 3.004 20 5 CGBDMO C[N@H+]1CCC[C@@H](CCNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001458428277 937462131 /nfs/dbraw/zinc/46/21/31/937462131.db2.gz IPVSJDJMVIUENV-NSHDSACASA-N 1 1 297.786 3.392 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001308629178 933146929 /nfs/dbraw/zinc/14/69/29/933146929.db2.gz MCFDDDYJIHOOKK-VIFPVBQESA-N 1 1 288.269 3.455 20 5 CGBDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC001318854775 933786830 /nfs/dbraw/zinc/78/68/30/933786830.db2.gz OKYYCKGTFULXJF-GHMZBOCLSA-N 1 1 286.422 3.372 20 5 CGBDMO COC1CCC(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001334919465 936122509 /nfs/dbraw/zinc/12/25/09/936122509.db2.gz XVCOWPARHZQGSW-UHFFFAOYSA-N 1 1 290.363 3.116 20 5 CGBDMO C[N@@H+](CCCc1cccnc1)CCc1ccccc1[N+](=O)[O-] ZINC000930438913 958802608 /nfs/dbraw/zinc/80/26/08/958802608.db2.gz FPFFTTCHIQJHTJ-UHFFFAOYSA-N 1 1 299.374 3.097 20 5 CGBDMO Cc1ccc(NC[C@@H]2[N@@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC001559184141 960605437 /nfs/dbraw/zinc/60/54/37/960605437.db2.gz WOEUWZOKAOUKSS-HNNXBMFYSA-N 1 1 291.395 3.436 20 5 CGBDMO CC(C)(C)[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269651727 190527805 /nfs/dbraw/zinc/52/78/05/190527805.db2.gz MOEZQFIUOHDSCS-HUUCEWRRSA-N 1 1 292.379 3.139 20 5 CGBDMO C[C@H](c1cccnc1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000127842329 187336500 /nfs/dbraw/zinc/33/65/00/187336500.db2.gz TVZBVHOPOIKTSX-CYBMUJFWSA-N 1 1 285.347 3.225 20 5 CGBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000116279202 529985276 /nfs/dbraw/zinc/98/52/76/529985276.db2.gz DFDULCIDEYGDHH-NSHDSACASA-N 1 1 298.770 3.107 20 5 CGBDMO C[N@H+]1CCC[C@@H](CNc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000050352247 345081604 /nfs/dbraw/zinc/08/16/04/345081604.db2.gz PCEFZQDREKVDID-JTQLQIEISA-N 1 1 283.759 3.002 20 5 CGBDMO CC(C)CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000065533492 345273730 /nfs/dbraw/zinc/27/37/30/345273730.db2.gz HXIOXTZNEFQXLK-UHFFFAOYSA-N 1 1 292.379 3.484 20 5 CGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000065586781 345274805 /nfs/dbraw/zinc/27/48/05/345274805.db2.gz ZZKNJZWZJPBHSC-NEPJUHHUSA-N 1 1 295.358 3.266 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000075768527 232175474 /nfs/dbraw/zinc/17/54/74/232175474.db2.gz NIBZRIXZXZSROZ-ZFWWWQNUSA-N 1 1 260.337 3.359 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCC(C)C ZINC000076794150 345550371 /nfs/dbraw/zinc/55/03/71/345550371.db2.gz HNFFPVBPMDKBTH-UHFFFAOYSA-N 1 1 266.341 3.081 20 5 CGBDMO Cc1[nH+]ccn1CCCCNc1cc(C)ccc1[N+](=O)[O-] ZINC000088725707 345764723 /nfs/dbraw/zinc/76/47/23/345764723.db2.gz HCVJLHSHPOYXIY-UHFFFAOYSA-N 1 1 288.351 3.300 20 5 CGBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000312006138 346475148 /nfs/dbraw/zinc/47/51/48/346475148.db2.gz QYTZKWPFPQDMOX-JTQLQIEISA-N 1 1 285.775 3.389 20 5 CGBDMO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000400902065 346590807 /nfs/dbraw/zinc/59/08/07/346590807.db2.gz NICGICRIFCGVQV-LBPRGKRZSA-N 1 1 271.320 3.149 20 5 CGBDMO C[C@@H](c1ccncc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000586773242 346733890 /nfs/dbraw/zinc/73/38/90/346733890.db2.gz GAJPNRUKNDWQDM-ZDUSSCGKSA-N 1 1 285.347 3.225 20 5 CGBDMO Cc1noc(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000595297251 347288308 /nfs/dbraw/zinc/28/83/08/347288308.db2.gz KZJRHPJKQUFNKI-UHTWSYAYSA-N 1 1 293.367 3.292 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000595327980 347291746 /nfs/dbraw/zinc/29/17/46/347291746.db2.gz SWATYHCNEJFCJZ-SMDDNHRTSA-N 1 1 278.327 3.498 20 5 CGBDMO C[C@H]1C[NH+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)S1 ZINC000595326633 347292414 /nfs/dbraw/zinc/29/24/14/347292414.db2.gz MRPIIOGGAYYLBF-UWVGGRQHSA-N 1 1 284.356 3.060 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccoc1C ZINC000595008791 347255293 /nfs/dbraw/zinc/25/52/93/347255293.db2.gz SXPQETIERYMXMM-JTQLQIEISA-N 1 1 290.319 3.356 20 5 CGBDMO CC[C@H](CC(F)F)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595423304 347300877 /nfs/dbraw/zinc/30/08/77/347300877.db2.gz LTZZWYDSPYJFSJ-SNVBAGLBSA-N 1 1 299.321 3.029 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c(Cl)c1 ZINC000595808320 347357459 /nfs/dbraw/zinc/35/74/59/347357459.db2.gz CONUWSAAIAGAOE-ONGXEEELSA-N 1 1 266.728 3.090 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3C[C@H]3C2)c(Cl)c1 ZINC000595808320 347357460 /nfs/dbraw/zinc/35/74/60/347357460.db2.gz CONUWSAAIAGAOE-ONGXEEELSA-N 1 1 266.728 3.090 20 5 CGBDMO Cc1cc(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596307350 347413836 /nfs/dbraw/zinc/41/38/36/347413836.db2.gz KZRQXFOXAKIXCW-ZDUSSCGKSA-N 1 1 291.395 3.436 20 5 CGBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595858243 347368281 /nfs/dbraw/zinc/36/82/81/347368281.db2.gz UUJUQVHWCKJRTB-FTNCPSPGSA-N 1 1 278.327 3.497 20 5 CGBDMO O=[N+]([O-])c1ccsc1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596571551 347480998 /nfs/dbraw/zinc/48/09/98/347480998.db2.gz VSUAUUURPYOSAG-GFCCVEGCSA-N 1 1 295.408 3.190 20 5 CGBDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000599671850 347763457 /nfs/dbraw/zinc/76/34/57/347763457.db2.gz SUMKMFLCRQWUJR-ZFWWWQNUSA-N 1 1 260.337 3.359 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000599139834 347720701 /nfs/dbraw/zinc/72/07/01/347720701.db2.gz QTAOHRVNAKUWNM-ZDUSSCGKSA-N 1 1 277.368 3.047 20 5 CGBDMO Cc1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)c(C)[nH+]1 ZINC000601080152 347865080 /nfs/dbraw/zinc/86/50/80/347865080.db2.gz JHMZXBDERVXCGS-UHFFFAOYSA-N 1 1 299.252 3.475 20 5 CGBDMO C[C@@]1(CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1(F)F ZINC000601195889 347879432 /nfs/dbraw/zinc/87/94/32/347879432.db2.gz VISAKWSJYGIUOA-ZDUSSCGKSA-N 1 1 293.273 3.022 20 5 CGBDMO COc1ccc(C[NH+]2CC(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000602730111 348020333 /nfs/dbraw/zinc/02/03/33/348020333.db2.gz YGSFJENHHSBBDD-UHFFFAOYSA-N 1 1 298.342 3.203 20 5 CGBDMO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000602953721 348046907 /nfs/dbraw/zinc/04/69/07/348046907.db2.gz BUJPIOQKMBBWJU-MRVPVSSYSA-N 1 1 295.339 3.350 20 5 CGBDMO CC(C)[C@H](C)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000603875024 348100729 /nfs/dbraw/zinc/10/07/29/348100729.db2.gz JDWNNTNDDWPPFE-LBPRGKRZSA-N 1 1 250.342 3.114 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]1C1CC1 ZINC000609145725 348337540 /nfs/dbraw/zinc/33/75/40/348337540.db2.gz USCGKTVDPOJBHL-ZDUSSCGKSA-N 1 1 264.300 3.108 20 5 CGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])s1 ZINC000609560589 348346764 /nfs/dbraw/zinc/34/67/64/348346764.db2.gz RJTRLPRIQVRCTM-GRYCIOLGSA-N 1 1 297.424 3.435 20 5 CGBDMO C[C@@H]1CCC[C@@H](C)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000610215443 348367750 /nfs/dbraw/zinc/36/77/50/348367750.db2.gz SLACGJQKOSOMAA-ZIAGYGMSSA-N 1 1 292.379 3.484 20 5 CGBDMO CCC(C)(C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581877 348391183 /nfs/dbraw/zinc/39/11/83/348391183.db2.gz XASBEXPOIULWSN-UHFFFAOYSA-N 1 1 277.324 3.356 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610710556 348398332 /nfs/dbraw/zinc/39/83/32/348398332.db2.gz FDOKPIYOOJCWOR-BETUJISGSA-N 1 1 278.352 3.237 20 5 CGBDMO Cc1ccc(C[N@H+](C)CCC(C)C)cc1[N+](=O)[O-] ZINC000611254196 348432043 /nfs/dbraw/zinc/43/20/43/348432043.db2.gz LWVFHMYDUATDHK-UHFFFAOYSA-N 1 1 250.342 3.381 20 5 CGBDMO CCO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000611783193 348476042 /nfs/dbraw/zinc/47/60/42/348476042.db2.gz FRRGAEPZKBLSHC-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CCO[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000611783193 348476045 /nfs/dbraw/zinc/47/60/45/348476045.db2.gz FRRGAEPZKBLSHC-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CCc1nc(C)c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000292008352 198133059 /nfs/dbraw/zinc/13/30/59/198133059.db2.gz YJUICFDMNNOJTI-SNVBAGLBSA-N 1 1 289.335 3.304 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCc1nccs1 ZINC000157691400 188332618 /nfs/dbraw/zinc/33/26/18/188332618.db2.gz BWRKRTFLHMHZEW-LLVKDONJSA-N 1 1 291.376 3.287 20 5 CGBDMO C[C@@H](NCC[C@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000271728609 191295642 /nfs/dbraw/zinc/29/56/42/191295642.db2.gz MOOMDJJVOCPHSY-ZIAGYGMSSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000412046819 235116927 /nfs/dbraw/zinc/11/69/27/235116927.db2.gz RQCKLKZPWPHQHF-SNVBAGLBSA-N 1 1 288.351 3.092 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000107829700 138358934 /nfs/dbraw/zinc/35/89/34/138358934.db2.gz FTMRZTHFYRGUOM-GHMZBOCLSA-N 1 1 295.770 3.287 20 5 CGBDMO CC[C@@H]([NH2+]C[C@H](C)N(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000127592025 138389667 /nfs/dbraw/zinc/38/96/67/138389667.db2.gz XUBBXWORLHUSKL-XJKSGUPXSA-N 1 1 293.411 3.366 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128832987 138394980 /nfs/dbraw/zinc/39/49/80/138394980.db2.gz CFBAGTGYUKNMPZ-VXGBXAGGSA-N 1 1 295.770 3.287 20 5 CGBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746675272 571977218 /nfs/dbraw/zinc/97/72/18/571977218.db2.gz RTKCLJLAWLMCKJ-ZJUUUORDSA-N 1 1 268.744 3.479 20 5 CGBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1cccc(F)c1[N+](=O)[O-] ZINC000301419087 201002151 /nfs/dbraw/zinc/00/21/51/201002151.db2.gz BQBHALVWASJQOB-GFCCVEGCSA-N 1 1 295.358 3.045 20 5 CGBDMO Cc1ccc(NCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000301430219 201004771 /nfs/dbraw/zinc/00/47/71/201004771.db2.gz GAJVHJDZWMCCFU-ZDUSSCGKSA-N 1 1 277.368 3.190 20 5 CGBDMO O=[N+]([O-])c1ccccc1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000301486102 201024333 /nfs/dbraw/zinc/02/43/33/201024333.db2.gz ZTPGPNALAZPDLE-AWEZNQCLSA-N 1 1 289.379 3.271 20 5 CGBDMO CS[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000451324391 240275931 /nfs/dbraw/zinc/27/59/31/240275931.db2.gz YCRIDSMINGMFQE-LLVKDONJSA-N 1 1 286.784 3.186 20 5 CGBDMO CS[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000451324391 240275937 /nfs/dbraw/zinc/27/59/37/240275937.db2.gz YCRIDSMINGMFQE-LLVKDONJSA-N 1 1 286.784 3.186 20 5 CGBDMO CCO[C@@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451541338 240321756 /nfs/dbraw/zinc/32/17/56/240321756.db2.gz LOSGCJCGFCCAQV-XJKCOSOUSA-N 1 1 292.379 3.403 20 5 CGBDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000126445201 370945674 /nfs/dbraw/zinc/94/56/74/370945674.db2.gz DPTKTYJVYRJKCI-LLVKDONJSA-N 1 1 268.382 3.168 20 5 CGBDMO CS[C@@H]1CCCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000134552714 371349175 /nfs/dbraw/zinc/34/91/75/371349175.db2.gz VZNHEPPPEMGWFZ-CYBMUJFWSA-N 1 1 280.393 3.312 20 5 CGBDMO CC(C)(C)OCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135240773 371404467 /nfs/dbraw/zinc/40/44/67/371404467.db2.gz VQCDDBLOKMSAOP-UHFFFAOYSA-N 1 1 292.379 3.374 20 5 CGBDMO CC(C)(C)OCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135240773 371404472 /nfs/dbraw/zinc/40/44/72/371404472.db2.gz VQCDDBLOKMSAOP-UHFFFAOYSA-N 1 1 292.379 3.374 20 5 CGBDMO CC[C@@]1(C)C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000135617736 371440221 /nfs/dbraw/zinc/44/02/21/371440221.db2.gz WLCAPXMYWDMSIJ-WFASDCNBSA-N 1 1 278.352 3.157 20 5 CGBDMO CC[C@@]1(C)C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000135617736 371440228 /nfs/dbraw/zinc/44/02/28/371440228.db2.gz WLCAPXMYWDMSIJ-WFASDCNBSA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1cc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nn1C ZINC000337363278 214031799 /nfs/dbraw/zinc/03/17/99/214031799.db2.gz AFPXKWXHAJWXPK-NEPJUHHUSA-N 1 1 288.351 3.049 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000290624879 372030724 /nfs/dbraw/zinc/03/07/24/372030724.db2.gz XNERTFHGWYJGFP-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000290624879 372030731 /nfs/dbraw/zinc/03/07/31/372030731.db2.gz XNERTFHGWYJGFP-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO CC(C)[C@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000293361063 372363867 /nfs/dbraw/zinc/36/38/67/372363867.db2.gz ZYLMLZFPSNERAX-CZUORRHYSA-N 1 1 292.379 3.403 20 5 CGBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC1CC1 ZINC000163336136 372461977 /nfs/dbraw/zinc/46/19/77/372461977.db2.gz CEKREHRWTUAIIZ-UHFFFAOYSA-N 1 1 254.717 3.090 20 5 CGBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC1CC1 ZINC000163336136 372461981 /nfs/dbraw/zinc/46/19/81/372461981.db2.gz CEKREHRWTUAIIZ-UHFFFAOYSA-N 1 1 254.717 3.090 20 5 CGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000441441952 373013407 /nfs/dbraw/zinc/01/34/07/373013407.db2.gz CMHAKHSZYQYNCX-ZIAGYGMSSA-N 1 1 290.363 3.238 20 5 CGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccccc1[N+](=O)[O-] ZINC000301069965 373648229 /nfs/dbraw/zinc/64/82/29/373648229.db2.gz FLCNWHLIDGERPD-QWHCGFSZSA-N 1 1 277.368 3.127 20 5 CGBDMO Cc1cc[nH+]c(N[C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449088439 373661022 /nfs/dbraw/zinc/66/10/22/373661022.db2.gz IJIPAJNJFINMLC-LBPRGKRZSA-N 1 1 271.320 3.341 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000449505091 373804934 /nfs/dbraw/zinc/80/49/34/373804934.db2.gz QWFWNDYDAYGCQW-IINYFYTJSA-N 1 1 298.770 3.105 20 5 CGBDMO Cc1ccc(C[N@H+]2CCSC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449527805 373826752 /nfs/dbraw/zinc/82/67/52/373826752.db2.gz LCUAHOQXAGYZJS-HNNXBMFYSA-N 1 1 292.404 3.231 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000303514422 374020356 /nfs/dbraw/zinc/02/03/56/374020356.db2.gz BXXJRHLVQXBPCP-CYBMUJFWSA-N 1 1 295.358 3.410 20 5 CGBDMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000310919040 374229078 /nfs/dbraw/zinc/22/90/78/374229078.db2.gz GULYDUHDCUFFCY-SNVBAGLBSA-N 1 1 254.305 3.210 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1N[C@H](C)C[N@H+](C)C(C)C ZINC000311430333 374241730 /nfs/dbraw/zinc/24/17/30/374241730.db2.gz MRINANVDWVQHIC-GFCCVEGCSA-N 1 1 265.357 3.044 20 5 CGBDMO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453378712 374465816 /nfs/dbraw/zinc/46/58/16/374465816.db2.gz ZOBVIQWKNKAVQL-NEPJUHHUSA-N 1 1 288.351 3.223 20 5 CGBDMO CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC(C)C ZINC000184243530 374508219 /nfs/dbraw/zinc/50/82/19/374508219.db2.gz LNKQSBCOXARQRB-UHFFFAOYSA-N 1 1 284.331 3.220 20 5 CGBDMO Cc1cncc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000189981080 375465098 /nfs/dbraw/zinc/46/50/98/375465098.db2.gz IRXHROWRRAHVRP-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1cncc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000189981080 375465105 /nfs/dbraw/zinc/46/51/05/375465105.db2.gz IRXHROWRRAHVRP-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO CC1(C)[C@@H]2C[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000493339886 375468048 /nfs/dbraw/zinc/46/80/48/375468048.db2.gz UNMWBRLRKMTZQI-PHIMTYICSA-N 1 1 280.755 3.336 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H]2CCC=CO2)C2CC2)c1 ZINC000193702031 375912185 /nfs/dbraw/zinc/91/21/85/375912185.db2.gz XDJNOXJYMWYGIU-INIZCTEOSA-N 1 1 288.347 3.252 20 5 CGBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000336794167 375943511 /nfs/dbraw/zinc/94/35/11/375943511.db2.gz ZZNLGLLSSNXPLZ-UHFFFAOYSA-N 1 1 252.289 3.108 20 5 CGBDMO CC(C)SCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000338269877 376305528 /nfs/dbraw/zinc/30/55/28/376305528.db2.gz HNCRZCVZSCEBIT-UHFFFAOYSA-N 1 1 280.393 3.095 20 5 CGBDMO CC(C)[N@@H+](C)CCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227888180 376417538 /nfs/dbraw/zinc/41/75/38/376417538.db2.gz CQRNAONXLOJRQC-UHFFFAOYSA-N 1 1 287.310 3.015 20 5 CGBDMO CO[C@@]1(C)CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000230261369 376497680 /nfs/dbraw/zinc/49/76/80/376497680.db2.gz LDMCZINUDFUPGQ-AWEZNQCLSA-N 1 1 298.770 3.249 20 5 CGBDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000230261369 376497690 /nfs/dbraw/zinc/49/76/90/376497690.db2.gz LDMCZINUDFUPGQ-AWEZNQCLSA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000231675600 376564441 /nfs/dbraw/zinc/56/44/41/376564441.db2.gz IOKMLEXROGSYRB-SECBINFHSA-N 1 1 283.759 3.143 20 5 CGBDMO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCC1CC1 ZINC000545520262 376829677 /nfs/dbraw/zinc/82/96/77/376829677.db2.gz BZUQSUSYQHSKLM-UHFFFAOYSA-N 1 1 262.353 3.259 20 5 CGBDMO CCC[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000245529729 376842269 /nfs/dbraw/zinc/84/22/69/376842269.db2.gz RVVBVJIEYBNZSX-UKRRQHHQSA-N 1 1 292.379 3.465 20 5 CGBDMO CCC[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000245529729 376842275 /nfs/dbraw/zinc/84/22/75/376842275.db2.gz RVVBVJIEYBNZSX-UKRRQHHQSA-N 1 1 292.379 3.465 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000247517777 377217274 /nfs/dbraw/zinc/21/72/74/377217274.db2.gz NCVXCNRLYUKRMF-UKRRQHHQSA-N 1 1 260.337 3.359 20 5 CGBDMO COC[C@@H](C)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000562521770 377324211 /nfs/dbraw/zinc/32/42/11/377324211.db2.gz WBHAGVYGMLFXNF-DZGCQCFKSA-N 1 1 292.379 3.057 20 5 CGBDMO CCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000563365009 377450888 /nfs/dbraw/zinc/45/08/88/377450888.db2.gz ANWJOCOOGJFAHY-UHFFFAOYSA-N 1 1 266.341 3.224 20 5 CGBDMO C[C@H](CNc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000252210662 377619671 /nfs/dbraw/zinc/61/96/71/377619671.db2.gz WFPBEVPQSHDGCR-QWHCGFSZSA-N 1 1 277.368 3.127 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccn1 ZINC000264282855 377972172 /nfs/dbraw/zinc/97/21/72/377972172.db2.gz PDXOAANPNPKPTQ-LBPRGKRZSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccn1 ZINC000264282855 377972175 /nfs/dbraw/zinc/97/21/75/377972175.db2.gz PDXOAANPNPKPTQ-LBPRGKRZSA-N 1 1 271.320 3.183 20 5 CGBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC[C@H]1CCCO1 ZINC000343476675 377992192 /nfs/dbraw/zinc/99/21/92/377992192.db2.gz VLCJEULYUXDCEL-NFBGWVBBSA-N 1 1 290.363 3.109 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](c3ccncc3)C2)cs1 ZINC000579021711 378123992 /nfs/dbraw/zinc/12/39/92/378123992.db2.gz GRBSJGFZJJDGTO-ZDUSSCGKSA-N 1 1 289.360 3.041 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOC2(CCCC2)C1 ZINC000268967089 378163309 /nfs/dbraw/zinc/16/33/09/378163309.db2.gz HHHQIOLCAHRRHR-ZDUSSCGKSA-N 1 1 290.363 3.301 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOC2(CCCC2)C1 ZINC000268967089 378163313 /nfs/dbraw/zinc/16/33/13/378163313.db2.gz HHHQIOLCAHRRHR-ZDUSSCGKSA-N 1 1 290.363 3.301 20 5 CGBDMO Cc1ccncc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270962132 378418122 /nfs/dbraw/zinc/41/81/22/378418122.db2.gz ZRZBZSOBKCBFKZ-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1ccncc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270962132 378418129 /nfs/dbraw/zinc/41/81/29/378418129.db2.gz ZRZBZSOBKCBFKZ-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCC3(CCC3)C2)c1 ZINC000348180766 378826184 /nfs/dbraw/zinc/82/61/84/378826184.db2.gz LPKWLXFOFJFHFL-UHFFFAOYSA-N 1 1 260.337 3.361 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCC12CCC2 ZINC000373091318 379220353 /nfs/dbraw/zinc/22/03/53/379220353.db2.gz BOZKBEXSKBJZKU-UHFFFAOYSA-N 1 1 264.300 3.252 20 5 CGBDMO COC[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266544474 190265927 /nfs/dbraw/zinc/26/59/27/190265927.db2.gz RJMNWEGTNOZKFU-QWHCGFSZSA-N 1 1 278.352 3.014 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000374001219 379359263 /nfs/dbraw/zinc/35/92/63/379359263.db2.gz GGHBIMVSLVYIBM-CYBMUJFWSA-N 1 1 272.304 3.177 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000347607960 218289566 /nfs/dbraw/zinc/28/95/66/218289566.db2.gz UEZNIZDCULVCEL-WDEREUQCSA-N 1 1 266.316 3.212 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000349960187 379458582 /nfs/dbraw/zinc/45/85/82/379458582.db2.gz ASUOETSBRLNVAG-UHFFFAOYSA-N 1 1 298.342 3.167 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2ccc(O)cc2C1 ZINC000349960187 379458593 /nfs/dbraw/zinc/45/85/93/379458593.db2.gz ASUOETSBRLNVAG-UHFFFAOYSA-N 1 1 298.342 3.167 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccoc1 ZINC000350035147 379483265 /nfs/dbraw/zinc/48/32/65/379483265.db2.gz NQQFXRIJHWNMOZ-LLVKDONJSA-N 1 1 260.293 3.381 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccoc1 ZINC000350035147 379483274 /nfs/dbraw/zinc/48/32/74/379483274.db2.gz NQQFXRIJHWNMOZ-LLVKDONJSA-N 1 1 260.293 3.381 20 5 CGBDMO CO[C@]1(C)CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280337136 379682259 /nfs/dbraw/zinc/68/22/59/379682259.db2.gz IDPIKMZMJKNXGO-MRXNPFEDSA-N 1 1 292.379 3.028 20 5 CGBDMO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000380357419 379863676 /nfs/dbraw/zinc/86/36/76/379863676.db2.gz XWOWGFTZKOAWSJ-SNVBAGLBSA-N 1 1 284.356 3.061 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000380357419 379863687 /nfs/dbraw/zinc/86/36/87/379863687.db2.gz XWOWGFTZKOAWSJ-SNVBAGLBSA-N 1 1 284.356 3.061 20 5 CGBDMO C[C@H]([N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F)C1(C)CC1 ZINC000352617388 379880440 /nfs/dbraw/zinc/88/04/40/379880440.db2.gz BTPQXWXRHWZFOK-JTQLQIEISA-N 1 1 266.316 3.354 20 5 CGBDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000282553545 379945503 /nfs/dbraw/zinc/94/55/03/379945503.db2.gz SQZGBRDPUNTNDM-HNNXBMFYSA-N 1 1 296.342 3.125 20 5 CGBDMO CCCCOC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000353997307 380272850 /nfs/dbraw/zinc/27/28/50/380272850.db2.gz JZNYQUFTBSIAGT-UHFFFAOYSA-N 1 1 298.408 3.437 20 5 CGBDMO CO[C@]1(C)CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000355196127 380618292 /nfs/dbraw/zinc/61/82/92/380618292.db2.gz HPTDHONSAYEASS-KQQSKNTNSA-N 1 1 290.363 3.109 20 5 CGBDMO COc1ccc(C[N@@H+](CC2CC2)C2CCC2)cc1[N+](=O)[O-] ZINC000355737959 380764529 /nfs/dbraw/zinc/76/45/29/380764529.db2.gz WFQNMUPJQACNOU-UHFFFAOYSA-N 1 1 290.363 3.368 20 5 CGBDMO Cc1ccncc1C[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000355583189 380717575 /nfs/dbraw/zinc/71/75/75/380717575.db2.gz LPFSQBHTTPCVRF-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO Cc1ccncc1C[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000355583189 380717581 /nfs/dbraw/zinc/71/75/81/380717581.db2.gz LPFSQBHTTPCVRF-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO COc1cc(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000419372687 380820162 /nfs/dbraw/zinc/82/01/62/380820162.db2.gz MUHLATNPKLUTDN-SDDRHHMPSA-N 1 1 278.352 3.080 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000362435029 381989948 /nfs/dbraw/zinc/98/99/48/381989948.db2.gz BZIQRFZADBXFPB-OLZOCXBDSA-N 1 1 278.352 3.094 20 5 CGBDMO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000353816238 220348768 /nfs/dbraw/zinc/34/87/68/220348768.db2.gz LWVDPCVESVBSGX-VURMDHGXSA-N 1 1 260.337 3.482 20 5 CGBDMO C[C@@H](CF)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000288398212 197067361 /nfs/dbraw/zinc/06/73/61/197067361.db2.gz HQWWQZANTIJDCD-JTQLQIEISA-N 1 1 278.283 3.302 20 5 CGBDMO CC/C=C\CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000342196251 130328074 /nfs/dbraw/zinc/32/80/74/130328074.db2.gz FFNJIJMIEPRYAC-ARJAWSKDSA-N 1 1 260.337 3.309 20 5 CGBDMO CO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000282056757 392277427 /nfs/dbraw/zinc/27/74/27/392277427.db2.gz BGYHWJDNBQXGAT-MFKMUULPSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000282056757 392277429 /nfs/dbraw/zinc/27/74/29/392277429.db2.gz BGYHWJDNBQXGAT-MFKMUULPSA-N 1 1 298.770 3.248 20 5 CGBDMO CCCO[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000108391664 392342118 /nfs/dbraw/zinc/34/21/18/392342118.db2.gz GPTFSTXFPXVGLT-CYBMUJFWSA-N 1 1 298.408 3.437 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000509679586 392767925 /nfs/dbraw/zinc/76/79/25/392767925.db2.gz IDNQWBQCEFXJEV-VIFPVBQESA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000509679586 392767930 /nfs/dbraw/zinc/76/79/30/392767930.db2.gz IDNQWBQCEFXJEV-VIFPVBQESA-N 1 1 284.306 3.493 20 5 CGBDMO CC[C@]1(C)CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509359494 392745660 /nfs/dbraw/zinc/74/56/60/392745660.db2.gz RSGDXKWAFJZAGH-CQSZACIVSA-N 1 1 284.306 3.495 20 5 CGBDMO CC[C@]1(C)CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509359494 392745668 /nfs/dbraw/zinc/74/56/68/392745668.db2.gz RSGDXKWAFJZAGH-CQSZACIVSA-N 1 1 284.306 3.495 20 5 CGBDMO CC[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000511520677 392837834 /nfs/dbraw/zinc/83/78/34/392837834.db2.gz FYXTYUFQQDTCRK-BMWLXYDHSA-N 1 1 260.337 3.482 20 5 CGBDMO CC[C@@H](C)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511104821 392827871 /nfs/dbraw/zinc/82/78/71/392827871.db2.gz GJJNEJYOYOXFMK-GFCCVEGCSA-N 1 1 250.342 3.115 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000466911156 393068951 /nfs/dbraw/zinc/06/89/51/393068951.db2.gz NXJZGZCOYFJUGA-BETUJISGSA-N 1 1 278.352 3.237 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCOC(C)(C)C1 ZINC000470171280 393228868 /nfs/dbraw/zinc/22/88/68/393228868.db2.gz HRYVITQCEFXDTI-LCYFTJDESA-N 1 1 290.363 3.109 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCOC(C)(C)C1 ZINC000470171280 393228875 /nfs/dbraw/zinc/22/88/75/393228875.db2.gz HRYVITQCEFXDTI-LCYFTJDESA-N 1 1 290.363 3.109 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429581157 393488352 /nfs/dbraw/zinc/48/83/52/393488352.db2.gz YEBPVZYTFHPFOJ-AAEUAGOBSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@H]1CC[C@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000429601840 393492067 /nfs/dbraw/zinc/49/20/67/393492067.db2.gz WPVZOWITXUMMFY-STQMWFEESA-N 1 1 278.352 3.094 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CC1(C)C ZINC000489397800 393594013 /nfs/dbraw/zinc/59/40/13/393594013.db2.gz FETLKQJFWRVTEX-CQSZACIVSA-N 1 1 278.352 3.224 20 5 CGBDMO CCO[C@@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451533330 286216377 /nfs/dbraw/zinc/21/63/77/286216377.db2.gz WIYBPUNLUQQWSK-WOSRLPQWSA-N 1 1 292.379 3.403 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@H]2C(C)C)c([N+](=O)[O-])cc1F ZINC000330922231 286218980 /nfs/dbraw/zinc/21/89/80/286218980.db2.gz RBLBYOGNALIQKR-ZDUSSCGKSA-N 1 1 296.342 3.363 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420287338 292295871 /nfs/dbraw/zinc/29/58/71/292295871.db2.gz HVRYNDIMDZHJGK-IHRRRGAJSA-N 1 1 291.395 3.023 20 5 CGBDMO CC[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423334628 286913193 /nfs/dbraw/zinc/91/31/93/286913193.db2.gz QWQHCPYEEFQAEN-HZPDHXFCSA-N 1 1 291.395 3.025 20 5 CGBDMO Cn1c2ccccc2[nH+]c1NCc1cccc([N+](=O)[O-])c1 ZINC000079046861 287053316 /nfs/dbraw/zinc/05/33/16/287053316.db2.gz ZDKLHVHUOWVVKO-UHFFFAOYSA-N 1 1 282.303 3.094 20 5 CGBDMO C[C@@H](c1ccco1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000069066378 165050891 /nfs/dbraw/zinc/05/08/91/165050891.db2.gz AALVLAIUESAIRQ-LBPRGKRZSA-N 1 1 290.319 3.260 20 5 CGBDMO Cc1ccc(C[N@@H+](CCCO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000093146072 165326504 /nfs/dbraw/zinc/32/65/04/165326504.db2.gz UEEJCUQXTBYWSE-UHFFFAOYSA-N 1 1 294.395 3.134 20 5 CGBDMO C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000091859410 287109910 /nfs/dbraw/zinc/10/99/10/287109910.db2.gz MVZJAASWHRAVCT-MVTQWGDUSA-N 1 1 260.337 3.338 20 5 CGBDMO CCOC[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119279157 287167711 /nfs/dbraw/zinc/16/77/11/287167711.db2.gz DJCFCWPQUADYTE-LLVKDONJSA-N 1 1 298.770 3.107 20 5 CGBDMO Cc1csc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000038090926 174104634 /nfs/dbraw/zinc/10/46/34/174104634.db2.gz ADMJTOJSLDCUJI-SNVBAGLBSA-N 1 1 277.349 3.211 20 5 CGBDMO CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000127551471 287290218 /nfs/dbraw/zinc/29/02/18/287290218.db2.gz JAAFOCMJATVBSG-KGLIPLIRSA-N 1 1 293.411 3.284 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000130965059 287367471 /nfs/dbraw/zinc/36/74/71/287367471.db2.gz XGKLEYHYXGDJPO-OLZOCXBDSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000130965059 287367473 /nfs/dbraw/zinc/36/74/73/287367473.db2.gz XGKLEYHYXGDJPO-OLZOCXBDSA-N 1 1 291.395 3.037 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000051532621 264006471 /nfs/dbraw/zinc/00/64/71/264006471.db2.gz MXMSNUYCRWFKIS-GFCCVEGCSA-N 1 1 278.352 3.225 20 5 CGBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1(O)CCCCCC1 ZINC000192708985 270077523 /nfs/dbraw/zinc/07/75/23/270077523.db2.gz YGOMOVSBHJOBCZ-UHFFFAOYSA-N 1 1 292.379 3.112 20 5 CGBDMO CO[C@]1(C)CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000330962054 277358871 /nfs/dbraw/zinc/35/88/71/277358871.db2.gz CBFWHDOXDNLICW-CZUORRHYSA-N 1 1 292.379 3.465 20 5 CGBDMO C[C@@H](NCC[N@H+]1CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000453394934 278347203 /nfs/dbraw/zinc/34/72/03/278347203.db2.gz JMGOPDSTKWUYHK-CYBMUJFWSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@@H]([NH2+]CCN1CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000453394934 278347205 /nfs/dbraw/zinc/34/72/05/278347205.db2.gz JMGOPDSTKWUYHK-CYBMUJFWSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000348245522 279098389 /nfs/dbraw/zinc/09/83/89/279098389.db2.gz KKQHREKSZVCEFB-BXKDBHETSA-N 1 1 288.269 3.368 20 5 CGBDMO C[C@H](C[NH+]1CCCCC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037153354 279303353 /nfs/dbraw/zinc/30/33/53/279303353.db2.gz BKZWTGDIFJTBPF-KGLIPLIRSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000481390575 281267299 /nfs/dbraw/zinc/26/72/99/281267299.db2.gz ZCSFMZKYYSYYFS-GWCFXTLKSA-N 1 1 296.342 3.363 20 5 CGBDMO CC(C)[C@H]1[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000567931661 322184173 /nfs/dbraw/zinc/18/41/73/322184173.db2.gz OUSMURKWIUXYSH-CQSZACIVSA-N 1 1 262.353 3.461 20 5 CGBDMO CCCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1F ZINC000385667388 336153853 /nfs/dbraw/zinc/15/38/53/336153853.db2.gz DEXCQKOKLVJLES-UHFFFAOYSA-N 1 1 254.305 3.356 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774318 520645794 /nfs/dbraw/zinc/64/57/94/520645794.db2.gz XIKUYJFRIZYULT-SNVBAGLBSA-N 1 1 254.305 3.354 20 5 CGBDMO CCC[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104679433 521485846 /nfs/dbraw/zinc/48/58/46/521485846.db2.gz LSVHESQVZICMLI-UHFFFAOYSA-N 1 1 289.335 3.134 20 5 CGBDMO CC[C@@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000111254645 521970914 /nfs/dbraw/zinc/97/09/14/521970914.db2.gz HMIHGSCPDHONHN-LLVKDONJSA-N 1 1 266.341 3.081 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000183673791 525562681 /nfs/dbraw/zinc/56/26/81/525562681.db2.gz ZUSGVXZEFKHYPH-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)c1ccccn1 ZINC000183673791 525562685 /nfs/dbraw/zinc/56/26/85/525562685.db2.gz ZUSGVXZEFKHYPH-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO CC1=CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000437351291 528101324 /nfs/dbraw/zinc/10/13/24/528101324.db2.gz XZSPLNPHOUYMTN-VMPITWQZSA-N 1 1 258.321 3.260 20 5 CGBDMO CC[N@H+](CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000155845751 528515055 /nfs/dbraw/zinc/51/50/55/528515055.db2.gz NNKAJWQLNYPEIT-ZDUSSCGKSA-N 1 1 291.395 3.038 20 5 CGBDMO CC[N@@H+](CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000155845751 528515062 /nfs/dbraw/zinc/51/50/62/528515062.db2.gz NNKAJWQLNYPEIT-ZDUSSCGKSA-N 1 1 291.395 3.038 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCCC1 ZINC000175053543 528611772 /nfs/dbraw/zinc/61/17/72/528611772.db2.gz HYRGBYKNHBLHAR-UHFFFAOYSA-N 1 1 278.352 3.368 20 5 CGBDMO CC(C)[N@@H+](CC[C@H]1CCOC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000437583436 528913147 /nfs/dbraw/zinc/91/31/47/528913147.db2.gz WVNRRBFCPNSBRV-HNNXBMFYSA-N 1 1 292.379 3.232 20 5 CGBDMO CC[N@H+]1CCC[C@H](CNc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000359909423 529085417 /nfs/dbraw/zinc/08/54/17/529085417.db2.gz IHYMEVMYXZMYEV-GFCCVEGCSA-N 1 1 295.358 3.186 20 5 CGBDMO CC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(F)F ZINC000449361921 529199661 /nfs/dbraw/zinc/19/96/61/529199661.db2.gz LTJIXNOPMRZMNX-GXSJLCMTSA-N 1 1 272.295 3.159 20 5 CGBDMO CC[C@@H]([NH2+]C[C@@H](C)N(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000127591552 535804419 /nfs/dbraw/zinc/80/44/19/535804419.db2.gz XUBBXWORLHUSKL-CZUORRHYSA-N 1 1 293.411 3.366 20 5 CGBDMO C[C@@H]1CSCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000934298556 618581815 /nfs/dbraw/zinc/58/18/15/618581815.db2.gz KSCVNMJUYPSORF-SNVBAGLBSA-N 1 1 284.356 3.061 20 5 CGBDMO CC[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C1CC1 ZINC000121893312 618661421 /nfs/dbraw/zinc/66/14/21/618661421.db2.gz JFJFMKJSOTWMDA-UHFFFAOYSA-N 1 1 293.348 3.314 20 5 CGBDMO CC[N@@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C1CC1 ZINC000121893312 618661423 /nfs/dbraw/zinc/66/14/23/618661423.db2.gz JFJFMKJSOTWMDA-UHFFFAOYSA-N 1 1 293.348 3.314 20 5 CGBDMO CC(C)CC[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000052246283 618704620 /nfs/dbraw/zinc/70/46/20/618704620.db2.gz GHVURXKJGODJHR-UHFFFAOYSA-N 1 1 254.305 3.212 20 5 CGBDMO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccnc1 ZINC000093632665 619207356 /nfs/dbraw/zinc/20/73/56/619207356.db2.gz PUAUATPWRHMNGZ-JTQLQIEISA-N 1 1 291.738 3.494 20 5 CGBDMO CCc1onc(C)c1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000927139750 620600216 /nfs/dbraw/zinc/60/02/16/620600216.db2.gz KJKMWHVQYWDLSJ-SNVBAGLBSA-N 1 1 289.335 3.304 20 5 CGBDMO CCCC[N@H+](CC[N+](=O)[O-])[C@@H](C)c1ccc(C)o1 ZINC000929406431 623036778 /nfs/dbraw/zinc/03/67/78/623036778.db2.gz YVVZLOYETOIOTH-LBPRGKRZSA-N 1 1 254.330 3.028 20 5 CGBDMO CCCC[N@@H+](CC[N+](=O)[O-])[C@@H](C)c1ccc(C)o1 ZINC000929406431 623036787 /nfs/dbraw/zinc/03/67/87/623036787.db2.gz YVVZLOYETOIOTH-LBPRGKRZSA-N 1 1 254.330 3.028 20 5 CGBDMO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)CC[N+](=O)[O-] ZINC000929773828 623626337 /nfs/dbraw/zinc/62/63/37/623626337.db2.gz IYWUNPDKQKTIHQ-WDEREUQCSA-N 1 1 270.760 3.041 20 5 CGBDMO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000181515590 624868735 /nfs/dbraw/zinc/86/87/35/624868735.db2.gz VLPDDIGCNCZBKM-JTQLQIEISA-N 1 1 290.294 3.290 20 5 CGBDMO CC[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000755996078 626667406 /nfs/dbraw/zinc/66/74/06/626667406.db2.gz OWUXFEDOQBAHKG-JTQLQIEISA-N 1 1 268.744 3.480 20 5 CGBDMO NC(CC1CC1)=[NH+]OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768518924 627483088 /nfs/dbraw/zinc/48/30/88/627483088.db2.gz ZEKQSXSVGQDHCH-UHFFFAOYSA-N 1 1 283.715 3.047 20 5 CGBDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275049 628187642 /nfs/dbraw/zinc/18/76/42/628187642.db2.gz FSHMPIRBJGLTHG-KCXAZCMYSA-N 1 1 292.379 3.139 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584999 628220904 /nfs/dbraw/zinc/22/09/04/628220904.db2.gz QTAGETCXTRCRHB-CJNGLKHVSA-N 1 1 292.379 3.140 20 5 CGBDMO CC(C)[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776591681 628222068 /nfs/dbraw/zinc/22/20/68/628222068.db2.gz FOEFVDVRHPHBAF-MRXNPFEDSA-N 1 1 292.379 3.281 20 5 CGBDMO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1F ZINC000779051930 628385618 /nfs/dbraw/zinc/38/56/18/628385618.db2.gz IQUXHKDIVDIDMP-UHFFFAOYSA-N 1 1 292.285 3.471 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC1CC1 ZINC000783566622 628726721 /nfs/dbraw/zinc/72/67/21/628726721.db2.gz IWSMXWAXRUHPBN-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)C1 ZINC000792872865 629389854 /nfs/dbraw/zinc/38/98/54/629389854.db2.gz QEEJNGQLEDGMSU-SNVBAGLBSA-N 1 1 293.323 3.123 20 5 CGBDMO Cc1nn(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000794704371 629569327 /nfs/dbraw/zinc/56/93/27/629569327.db2.gz HBLOCMRYDUEGLM-CYBMUJFWSA-N 1 1 294.399 3.124 20 5 CGBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC(C)(C)C1 ZINC000796529916 629795214 /nfs/dbraw/zinc/79/52/14/629795214.db2.gz CSPSIZSQNPCFOG-GJZGRUSLSA-N 1 1 292.379 3.139 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)Cc1ccco1 ZINC000876539482 634852854 /nfs/dbraw/zinc/85/28/54/634852854.db2.gz HVKJENGXCGDLMX-UHFFFAOYSA-N 1 1 274.320 3.437 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)Cc1ccco1 ZINC000876539482 634852860 /nfs/dbraw/zinc/85/28/60/634852860.db2.gz HVKJENGXCGDLMX-UHFFFAOYSA-N 1 1 274.320 3.437 20 5 CGBDMO C[N@@H+](CCCCNc1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000840317143 631572054 /nfs/dbraw/zinc/57/20/54/631572054.db2.gz ZMFXIOUDDFWYES-UHFFFAOYSA-N 1 1 281.331 3.020 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000824650204 633268987 /nfs/dbraw/zinc/26/89/87/633268987.db2.gz KQJVUDIIATZPKQ-GFCCVEGCSA-N 1 1 266.728 3.233 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000824650204 633268989 /nfs/dbraw/zinc/26/89/89/633268989.db2.gz KQJVUDIIATZPKQ-GFCCVEGCSA-N 1 1 266.728 3.233 20 5 CGBDMO CCc1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000825079044 633326222 /nfs/dbraw/zinc/32/62/22/633326222.db2.gz KKSNAAMIZGNGTR-UHFFFAOYSA-N 1 1 295.726 3.088 20 5 CGBDMO CC(C)[N@@H+](C)C[C@@H](C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872073412 633995894 /nfs/dbraw/zinc/99/58/94/633995894.db2.gz QPTSVPSLBZJYDZ-VXGBXAGGSA-N 1 1 297.374 3.113 20 5 CGBDMO COC(C)(C)C[N@@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876809778 634903829 /nfs/dbraw/zinc/90/38/29/634903829.db2.gz XDVCEDDVPGDRKQ-UHFFFAOYSA-N 1 1 280.368 3.068 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000886123265 637425307 /nfs/dbraw/zinc/42/53/07/637425307.db2.gz VOQILBSZPQSXSE-MRVWCRGKSA-N 1 1 275.352 3.000 20 5 CGBDMO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886158359 637441012 /nfs/dbraw/zinc/44/10/12/637441012.db2.gz XSGVJQXORPPORM-WCQYABFASA-N 1 1 263.341 3.000 20 5 CGBDMO Cc1coc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000886179214 637449999 /nfs/dbraw/zinc/44/99/99/637449999.db2.gz PLPSKRBONKVJGW-UHFFFAOYSA-N 1 1 260.293 3.094 20 5 CGBDMO CC[C@](C)([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000851901983 637537858 /nfs/dbraw/zinc/53/78/58/637537858.db2.gz OIESPJWVPXSYRS-HNNXBMFYSA-N 1 1 289.335 3.306 20 5 CGBDMO COC1CC(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000859090516 639075950 /nfs/dbraw/zinc/07/59/50/639075950.db2.gz RZNJRJXIKSEOHD-UHFFFAOYSA-N 1 1 292.379 3.230 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040718144 639896238 /nfs/dbraw/zinc/89/62/38/639896238.db2.gz KCULGFATBGNAKX-SECBINFHSA-N 1 1 254.717 3.090 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774140 640802719 /nfs/dbraw/zinc/80/27/19/640802719.db2.gz CCMMYSULSNVPFM-SNVBAGLBSA-N 1 1 252.289 3.108 20 5 CGBDMO CCC[N@@H+](CC)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475177 806412998 /nfs/dbraw/zinc/41/29/98/806412998.db2.gz BHBZNJFCDOJTJF-UHFFFAOYSA-N 1 1 291.395 3.296 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](F)CC1 ZINC001254551451 806447569 /nfs/dbraw/zinc/44/75/69/806447569.db2.gz BENZMLRVKYYNAN-TZMCWYRMSA-N 1 1 280.343 3.350 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H](F)C1 ZINC001254553353 806449000 /nfs/dbraw/zinc/44/90/00/806449000.db2.gz VIIGVJLNHPGVCP-JSGCOSHPSA-N 1 1 280.343 3.350 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CCCC1 ZINC001254560986 806451155 /nfs/dbraw/zinc/45/11/55/806451155.db2.gz CQHSMMCRWPZEGK-LBPRGKRZSA-N 1 1 262.353 3.400 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602633 806458223 /nfs/dbraw/zinc/45/82/23/806458223.db2.gz HFFYRLIPVXXXDB-GOEBONIOSA-N 1 1 274.364 3.327 20 5 CGBDMO C[N@@H+](Cc1cccs1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601345 806458697 /nfs/dbraw/zinc/45/86/97/806458697.db2.gz YKECROYTXCPJGX-CQSZACIVSA-N 1 1 288.372 3.256 20 5 CGBDMO COc1cccc(NC(=[NH2+])C(C)(C)C)c1[N+](=O)[O-] ZINC001162664868 806643864 /nfs/dbraw/zinc/64/38/64/806643864.db2.gz TUMGJKIPDKLGFI-UHFFFAOYSA-N 1 1 251.286 3.039 20 5 CGBDMO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NC(=[NH2+])C(C)(C)C ZINC001162666009 806645382 /nfs/dbraw/zinc/64/53/82/806645382.db2.gz VMTPAHNJQCRHOD-UHFFFAOYSA-N 1 1 293.323 3.125 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCCCC2)c1 ZINC000037403734 798867900 /nfs/dbraw/zinc/86/79/00/798867900.db2.gz OWHHMBRNFOHUFY-UHFFFAOYSA-N 1 1 254.717 3.234 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC001163618708 806793582 /nfs/dbraw/zinc/79/35/82/806793582.db2.gz VJDWYXWTSDZGPU-DZGCQCFKSA-N 1 1 289.379 3.332 20 5 CGBDMO Cc1[nH+]c2c(Nc3cc([N+](=O)[O-])cnc3C)cccn2c1C ZINC001249546304 805171570 /nfs/dbraw/zinc/17/15/70/805171570.db2.gz RZRMTVFEICXBDN-UHFFFAOYSA-N 1 1 297.318 3.306 20 5 CGBDMO CCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CC1CCCCC1 ZINC001167145312 807161453 /nfs/dbraw/zinc/16/14/53/807161453.db2.gz CCCWSUNNTRNRAY-UHFFFAOYSA-N 1 1 294.399 3.121 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCCC3(CCCC3)C2)C1 ZINC001169011097 807551946 /nfs/dbraw/zinc/55/19/46/807551946.db2.gz IKEGUWPUUQDOHC-UONOGXRCSA-N 1 1 266.385 3.088 20 5 CGBDMO CCC[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169021862 807554107 /nfs/dbraw/zinc/55/41/07/807554107.db2.gz APBSEVUOLXUZJL-CVEARBPZSA-N 1 1 276.380 3.344 20 5 CGBDMO CC[N@@H+](Cc1ccccc1F)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038976 807556695 /nfs/dbraw/zinc/55/66/95/807556695.db2.gz LZSPKMHZQDZTGI-OCCSQVGLSA-N 1 1 280.343 3.093 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](c3ccc(F)cc3)C2)C1 ZINC001169039773 807557230 /nfs/dbraw/zinc/55/72/30/807557230.db2.gz TUDIIPINMGDZNM-IVMMDQJWSA-N 1 1 292.354 3.060 20 5 CGBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170328293 807825918 /nfs/dbraw/zinc/82/59/18/807825918.db2.gz IXQRBLOZILYMTN-STQMWFEESA-N 1 1 292.379 3.266 20 5 CGBDMO COc1ccc(C[C@H](C)[N@H+]2CCCC23CC3)c([N+](=O)[O-])c1 ZINC001170329783 807826438 /nfs/dbraw/zinc/82/64/38/807826438.db2.gz ULRDJZBZEVTIKP-LBPRGKRZSA-N 1 1 290.363 3.163 20 5 CGBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170328292 807827020 /nfs/dbraw/zinc/82/70/20/807827020.db2.gz IXQRBLOZILYMTN-QWHCGFSZSA-N 1 1 292.379 3.266 20 5 CGBDMO COc1ccc(C[C@@H](C)[N@@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC001170348185 807828723 /nfs/dbraw/zinc/82/87/23/807828723.db2.gz VPOLKIPEIDJLCC-GFCCVEGCSA-N 1 1 292.379 3.409 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC001171538053 808088436 /nfs/dbraw/zinc/08/84/36/808088436.db2.gz BPXPJJHCBTVZGK-WFASDCNBSA-N 1 1 290.363 3.368 20 5 CGBDMO CC(C)[N@@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907916 808476511 /nfs/dbraw/zinc/47/65/11/808476511.db2.gz JQNVILZXDAWRBY-AWEZNQCLSA-N 1 1 262.353 3.182 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@@H](F)C1)CC2 ZINC001172908508 808476634 /nfs/dbraw/zinc/47/66/34/808476634.db2.gz DAQSMVQYKKXEKT-HUUCEWRRSA-N 1 1 292.354 3.276 20 5 CGBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CC(C)(C)C2)c1F ZINC001173187266 808533056 /nfs/dbraw/zinc/53/30/56/808533056.db2.gz XYLCKUWMKKJFLU-JTQLQIEISA-N 1 1 296.342 3.015 20 5 CGBDMO CC[N@@H+]([C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C1CC1 ZINC001173184399 808533725 /nfs/dbraw/zinc/53/37/25/808533725.db2.gz MKQNIBQKVJMRSV-JTQLQIEISA-N 1 1 296.342 3.158 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(C)(C)C1 ZINC001173224945 808541052 /nfs/dbraw/zinc/54/10/52/808541052.db2.gz AARMFNJERYEDLA-LBPRGKRZSA-N 1 1 262.353 3.258 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@@]23CCCOC3)c1 ZINC001177008375 809773074 /nfs/dbraw/zinc/77/30/74/809773074.db2.gz JAMXNGMQKIEYRF-INIZCTEOSA-N 1 1 290.363 3.130 20 5 CGBDMO Cc1ccc(Nc2cc[nH+]cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001213659998 815319041 /nfs/dbraw/zinc/31/90/41/815319041.db2.gz LJUYPTKDJVXZIL-UHFFFAOYSA-N 1 1 297.236 3.483 20 5 CGBDMO Cc1c[nH]c(Nc2cccc(Br)c2[N+](=O)[O-])[nH+]1 ZINC001185734362 810289061 /nfs/dbraw/zinc/28/90/61/810289061.db2.gz AQFZOTDADRYEQA-UHFFFAOYSA-N 1 1 297.112 3.132 20 5 CGBDMO Cc1cc(NCC[N@H+]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC001186681592 810356279 /nfs/dbraw/zinc/35/62/79/810356279.db2.gz UDDFCCZDOMLRKF-UHFFFAOYSA-N 1 1 277.368 3.190 20 5 CGBDMO CC[C@@H]1CC[C@@H](C)[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001196176093 811323703 /nfs/dbraw/zinc/32/37/03/811323703.db2.gz PURGOMRRFKAHSE-ZIAGYGMSSA-N 1 1 292.379 3.484 20 5 CGBDMO CCC[C@H]1CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001198430661 811502130 /nfs/dbraw/zinc/50/21/30/811502130.db2.gz SVRXGERWUDDVFL-LBPRGKRZSA-N 1 1 264.325 3.065 20 5 CGBDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001226761842 817456333 /nfs/dbraw/zinc/45/63/33/817456333.db2.gz HJRZFEVHLQIDEU-LLVKDONJSA-N 1 1 284.743 3.110 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001226993413 817528086 /nfs/dbraw/zinc/52/80/86/817528086.db2.gz WGJBZJSDKCBKQB-AWEZNQCLSA-N 1 1 278.352 3.155 20 5 CGBDMO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001228570297 817940542 /nfs/dbraw/zinc/94/05/42/817940542.db2.gz BFVSXALRUUUTMY-HNNXBMFYSA-N 1 1 292.379 3.463 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC001459921604 937506706 /nfs/dbraw/zinc/50/67/06/937506706.db2.gz GTPGPYXWYRPEAH-LBPRGKRZSA-N 1 1 292.379 3.471 20 5 CGBDMO CC[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001459982443 937509489 /nfs/dbraw/zinc/50/94/89/937509489.db2.gz GXDOTFSDOIFWRM-JSGCOSHPSA-N 1 1 262.353 3.258 20 5 CGBDMO CC[N@@H+]1[C@H](C)CN([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC001460326228 937526429 /nfs/dbraw/zinc/52/64/29/937526429.db2.gz ABGWIXFEWSWVIX-MJBXVCDLSA-N 1 1 291.395 3.070 20 5 CGBDMO Cc1ccc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC001230146485 932536404 /nfs/dbraw/zinc/53/64/04/932536404.db2.gz PSYJJNGLLNAVOR-YWVIFJGQSA-N 1 1 290.363 3.012 20 5 CGBDMO C[N@H+]1CC[C@H](Oc2nccc3c4ccccc4ccc32)C1 ZINC001230199574 932539717 /nfs/dbraw/zinc/53/97/17/932539717.db2.gz BWJCZHVCCGDOFQ-AWEZNQCLSA-N 1 1 278.355 3.471 20 5 CGBDMO CCC1(CC)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001473221867 937798077 /nfs/dbraw/zinc/79/80/77/937798077.db2.gz DLGJAKGCPAKFAA-UHFFFAOYSA-N 1 1 292.379 3.486 20 5 CGBDMO Cc1ccc(C[N@@H+](C)C[C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC001473675759 937817198 /nfs/dbraw/zinc/81/71/98/937817198.db2.gz YYHXRBNOEMBDAP-ZDUSSCGKSA-N 1 1 262.353 3.381 20 5 CGBDMO CCCC[N@@H+](C)C[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC001560491706 938260233 /nfs/dbraw/zinc/26/02/33/938260233.db2.gz VHFZTWYHZISONI-ZDUSSCGKSA-N 1 1 293.411 3.113 20 5 CGBDMO CCCCN(C)C[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001560491706 938260234 /nfs/dbraw/zinc/26/02/34/938260234.db2.gz VHFZTWYHZISONI-ZDUSSCGKSA-N 1 1 293.411 3.113 20 5 CGBDMO CC[C@H](F)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000440794376 529436151 /nfs/dbraw/zinc/43/61/51/529436151.db2.gz YYZLZELYHXFNPZ-LBPRGKRZSA-N 1 1 266.316 3.307 20 5 CGBDMO CC[C@H](F)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000440794376 529436153 /nfs/dbraw/zinc/43/61/53/529436153.db2.gz YYZLZELYHXFNPZ-LBPRGKRZSA-N 1 1 266.316 3.307 20 5 CGBDMO CC[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000173315556 529495688 /nfs/dbraw/zinc/49/56/88/529495688.db2.gz XURDPHQZOLBEFL-HIFRSBDPSA-N 1 1 291.395 3.120 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000591062040 346897626 /nfs/dbraw/zinc/89/76/26/346897626.db2.gz SHBDWEDTZWJZID-CQSZACIVSA-N 1 1 260.337 3.217 20 5 CGBDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000126429891 187238871 /nfs/dbraw/zinc/23/88/71/187238871.db2.gz WIDARTDARLMFGC-NSHDSACASA-N 1 1 268.382 3.168 20 5 CGBDMO CCc1nc(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)o1 ZINC000291846192 529725197 /nfs/dbraw/zinc/72/51/97/529725197.db2.gz UNTHRLNXLZGJTA-UHFFFAOYSA-N 1 1 289.335 3.052 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592187174 346970639 /nfs/dbraw/zinc/97/06/39/346970639.db2.gz HVPJIMVECHFUEB-CYBMUJFWSA-N 1 1 290.363 3.128 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592187174 346970641 /nfs/dbraw/zinc/97/06/41/346970641.db2.gz HVPJIMVECHFUEB-CYBMUJFWSA-N 1 1 290.363 3.128 20 5 CGBDMO CC(C)O[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000593055367 347033356 /nfs/dbraw/zinc/03/33/56/347033356.db2.gz KIVHCRCHZZUVND-MRXNPFEDSA-N 1 1 292.379 3.027 20 5 CGBDMO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC1CC1 ZINC000425412181 529982723 /nfs/dbraw/zinc/98/27/23/529982723.db2.gz ZOHYTDGDUSNJSJ-UHFFFAOYSA-N 1 1 299.168 3.199 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000040624221 344964981 /nfs/dbraw/zinc/96/49/81/344964981.db2.gz WZANQRZSOBKQEK-CYBMUJFWSA-N 1 1 277.368 3.045 20 5 CGBDMO CC(C)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000046061106 345033728 /nfs/dbraw/zinc/03/37/28/345033728.db2.gz ZOEKRBPMGOMXDO-UHFFFAOYSA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])s1)[N@H+]1CCC[C@@H](C)C1 ZINC000048999738 345070424 /nfs/dbraw/zinc/07/04/24/345070424.db2.gz RXJNPWWOSBOQQO-MNOVXSKESA-N 1 1 283.397 3.189 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccc(F)c1F ZINC000050015786 345077040 /nfs/dbraw/zinc/07/70/40/345077040.db2.gz XRVROPNALUNZRR-UHFFFAOYSA-N 1 1 278.258 3.163 20 5 CGBDMO CCCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000051854758 345093067 /nfs/dbraw/zinc/09/30/67/345093067.db2.gz WWTNVQSWCGKBBJ-UHFFFAOYSA-N 1 1 278.352 3.238 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000059371119 345207149 /nfs/dbraw/zinc/20/71/49/345207149.db2.gz FFOLHCAKWCXDPM-AWEZNQCLSA-N 1 1 262.353 3.402 20 5 CGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000076511118 345545297 /nfs/dbraw/zinc/54/52/97/345545297.db2.gz MKCITPUGKMTJPF-UHFFFAOYSA-N 1 1 276.361 3.331 20 5 CGBDMO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000092326469 345836074 /nfs/dbraw/zinc/83/60/74/345836074.db2.gz QWSSWZVVLSRRKS-VIFPVBQESA-N 1 1 275.308 3.050 20 5 CGBDMO Cc1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000314127575 346481113 /nfs/dbraw/zinc/48/11/13/346481113.db2.gz JWDMUFIIIAGNEH-LBPRGKRZSA-N 1 1 295.358 3.185 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](C3CC3)C2)c(F)c1 ZINC000351761004 219199041 /nfs/dbraw/zinc/19/90/41/219199041.db2.gz VVBRCJBIIHXIAN-SNVBAGLBSA-N 1 1 282.290 3.105 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](C3CC3)C2)c(F)c1 ZINC000351761004 219199044 /nfs/dbraw/zinc/19/90/44/219199044.db2.gz VVBRCJBIIHXIAN-SNVBAGLBSA-N 1 1 282.290 3.105 20 5 CGBDMO CO[C@@H](C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000595291019 347287161 /nfs/dbraw/zinc/28/71/61/347287161.db2.gz VVNWZGYGKCRXDY-INIZCTEOSA-N 1 1 292.379 3.232 20 5 CGBDMO CC(C)[C@H](C)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595289501 347287401 /nfs/dbraw/zinc/28/74/01/347287401.db2.gz SMKMQACOEVKRRA-JTQLQIEISA-N 1 1 254.305 3.210 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(C(F)F)CC1 ZINC000595352804 347296148 /nfs/dbraw/zinc/29/61/48/347296148.db2.gz OESLKJMJZZEVOK-UHFFFAOYSA-N 1 1 288.269 3.211 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000595498360 347312456 /nfs/dbraw/zinc/31/24/56/347312456.db2.gz RTERERIYOYSIFD-GFCCVEGCSA-N 1 1 278.327 3.356 20 5 CGBDMO CSC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595511192 347313714 /nfs/dbraw/zinc/31/37/14/347313714.db2.gz OQHNEZVHBRMQCF-NSHDSACASA-N 1 1 298.383 3.309 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595566907 347320480 /nfs/dbraw/zinc/32/04/80/347320480.db2.gz OUPMWHBHWQYEEZ-GWCFXTLKSA-N 1 1 264.300 3.108 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595566907 347320482 /nfs/dbraw/zinc/32/04/82/347320482.db2.gz OUPMWHBHWQYEEZ-GWCFXTLKSA-N 1 1 264.300 3.108 20 5 CGBDMO CC[C@@H](C)[N@@H+](CC)CCc1ccc([N+](=O)[O-])cc1 ZINC000595593645 347322813 /nfs/dbraw/zinc/32/28/13/347322813.db2.gz RYBDTUAFKQZAOO-GFCCVEGCSA-N 1 1 250.342 3.258 20 5 CGBDMO COc1ccc(C[N@@H+](C)C[C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000595912432 347371828 /nfs/dbraw/zinc/37/18/28/347371828.db2.gz LXHIJAHJWPBWIO-LBPRGKRZSA-N 1 1 278.352 3.081 20 5 CGBDMO Cc1cc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])s1 ZINC000596076874 347379613 /nfs/dbraw/zinc/37/96/13/347379613.db2.gz QYYUTVKQBOPALX-ZYHUDNBSSA-N 1 1 281.381 3.003 20 5 CGBDMO CCC[N@@H+](C)C[C@H]1CCN(c2cc(C)sc2[N+](=O)[O-])C1 ZINC000596141270 347388414 /nfs/dbraw/zinc/38/84/14/347388414.db2.gz HSUVNWDYCZDFLP-GFCCVEGCSA-N 1 1 297.424 3.133 20 5 CGBDMO C[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000598975225 347703243 /nfs/dbraw/zinc/70/32/43/347703243.db2.gz UEKDYXXCMBWZKU-STQMWFEESA-N 1 1 291.395 3.118 20 5 CGBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCCC2(CC2)CC1 ZINC000599672479 347763022 /nfs/dbraw/zinc/76/30/22/347763022.db2.gz HIRJGFFCTJJBIV-UHFFFAOYSA-N 1 1 276.336 3.067 20 5 CGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+]2C2CCCC2)s1 ZINC000599164098 347722629 /nfs/dbraw/zinc/72/26/29/347722629.db2.gz JOSCPZSYNPELEV-NSHDSACASA-N 1 1 281.381 3.085 20 5 CGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@]1(C)CCCS1 ZINC000600110600 347780135 /nfs/dbraw/zinc/78/01/35/347780135.db2.gz AWGHQXXXKGXCEJ-CQSZACIVSA-N 1 1 280.393 3.312 20 5 CGBDMO CC[C@@H](C)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351867957 219231800 /nfs/dbraw/zinc/23/18/00/219231800.db2.gz DQXXTHAGLAZFJF-MRVPVSSYSA-N 1 1 258.268 3.103 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351867957 219231802 /nfs/dbraw/zinc/23/18/02/219231802.db2.gz DQXXTHAGLAZFJF-MRVPVSSYSA-N 1 1 258.268 3.103 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c(F)c1 ZINC000351879031 219234440 /nfs/dbraw/zinc/23/44/40/219234440.db2.gz GGOPCEYIVABSSH-AOOOYVTPSA-N 1 1 282.290 3.105 20 5 CGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c(F)c1 ZINC000351879031 219234441 /nfs/dbraw/zinc/23/44/41/219234441.db2.gz GGOPCEYIVABSSH-AOOOYVTPSA-N 1 1 282.290 3.105 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCO[C@H]1C ZINC000602762247 348024734 /nfs/dbraw/zinc/02/47/34/348024734.db2.gz DECIOXOPRDASRL-DZGCQCFKSA-N 1 1 292.379 3.230 20 5 CGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000602819324 348034024 /nfs/dbraw/zinc/03/40/24/348034024.db2.gz SEPCNYTWBOLKLD-LBPRGKRZSA-N 1 1 294.399 3.000 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000602853162 348037556 /nfs/dbraw/zinc/03/75/56/348037556.db2.gz HSSNQEBVKLMKEQ-MRXNPFEDSA-N 1 1 297.358 3.369 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(CCF)CC1 ZINC000602948856 348047039 /nfs/dbraw/zinc/04/70/39/348047039.db2.gz VXGYYJCICJNRBO-UHFFFAOYSA-N 1 1 284.306 3.306 20 5 CGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CCCCC1 ZINC000603662544 348092362 /nfs/dbraw/zinc/09/23/62/348092362.db2.gz MZXNZSPFPKRFEN-UHFFFAOYSA-N 1 1 292.379 3.486 20 5 CGBDMO CC(C)CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000603848702 348098786 /nfs/dbraw/zinc/09/87/86/348098786.db2.gz FYGDSPPXRPPPMF-UHFFFAOYSA-N 1 1 292.379 3.484 20 5 CGBDMO COc1ccc(C[N@@H+](C)CCC(C)(C)C)cc1[N+](=O)[O-] ZINC000609577945 348348152 /nfs/dbraw/zinc/34/81/52/348348152.db2.gz DKRHDCLBKJLWHU-UHFFFAOYSA-N 1 1 280.368 3.471 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H]1C1CC1 ZINC000611268559 348433031 /nfs/dbraw/zinc/43/30/31/348433031.db2.gz PDFLRHPOXYDSHY-BYPUDFOVSA-N 1 1 272.348 3.482 20 5 CGBDMO CCO[C@@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000611516479 348458213 /nfs/dbraw/zinc/45/82/13/348458213.db2.gz 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369615985 /nfs/dbraw/zinc/61/59/85/369615985.db2.gz CJFXBVRPWCCWLF-UHFFFAOYSA-N 1 1 291.738 3.241 20 5 CGBDMO CCCC[N@@H+](CCOC)Cc1cccc([N+](=O)[O-])c1C ZINC000109334060 370362225 /nfs/dbraw/zinc/36/22/25/370362225.db2.gz DQUMWYSUQJBNSP-UHFFFAOYSA-N 1 1 280.368 3.152 20 5 CGBDMO CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000111275810 370396558 /nfs/dbraw/zinc/39/65/58/370396558.db2.gz ZIUXBIXWDROZNT-SLEUVZQESA-N 1 1 278.352 3.155 20 5 CGBDMO CC[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000111275810 370396560 /nfs/dbraw/zinc/39/65/60/370396560.db2.gz ZIUXBIXWDROZNT-SLEUVZQESA-N 1 1 278.352 3.155 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000344004546 217010787 /nfs/dbraw/zinc/01/07/87/217010787.db2.gz CXXAVAXIWOQTKP-CQSZACIVSA-N 1 1 260.337 3.217 20 5 CGBDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136915713 371486669 /nfs/dbraw/zinc/48/66/69/371486669.db2.gz FGZWXQKRKZRDBA-KCXAZCMYSA-N 1 1 292.379 3.139 20 5 CGBDMO CC[C@@]1(C)C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000135634931 371441394 /nfs/dbraw/zinc/44/13/94/371441394.db2.gz QCNNOYSFMXNPJV-BBRMVZONSA-N 1 1 292.379 3.465 20 5 CGBDMO CC[C@@]1(C)C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000135634931 371441396 /nfs/dbraw/zinc/44/13/96/371441396.db2.gz QCNNOYSFMXNPJV-BBRMVZONSA-N 1 1 292.379 3.465 20 5 CGBDMO CC(C)C(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000289927925 371854432 /nfs/dbraw/zinc/85/44/32/371854432.db2.gz OEDHBHMKQFAQRN-UHFFFAOYSA-N 1 1 290.363 3.174 20 5 CGBDMO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC(C)(C)C1 ZINC000289872876 371842283 /nfs/dbraw/zinc/84/22/83/371842283.db2.gz QWMYNFDKJXYLAP-OAHLLOKOSA-N 1 1 292.379 3.374 20 5 CGBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CC=CCC1 ZINC000344080731 217042994 /nfs/dbraw/zinc/04/29/94/217042994.db2.gz ZHERYRZJQGFEMR-NSHDSACASA-N 1 1 266.366 3.444 20 5 CGBDMO C[C@H]([NH2+][C@H](CN)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423258351 372043645 /nfs/dbraw/zinc/04/36/45/372043645.db2.gz BKCZMVWHRWNOPV-BLLLJJGKSA-N 1 1 291.395 3.153 20 5 CGBDMO CC[N@@H+](C[C@@H](C)OC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000291329216 372160842 /nfs/dbraw/zinc/16/08/42/372160842.db2.gz VPEPLJWRIRLBQT-VXGBXAGGSA-N 1 1 266.341 3.013 20 5 CGBDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000292875245 372234932 /nfs/dbraw/zinc/23/49/32/372234932.db2.gz WYSAPWIPDIXKHC-CYBMUJFWSA-N 1 1 294.420 3.478 20 5 CGBDMO CCc1noc(C)c1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000293700385 372453662 /nfs/dbraw/zinc/45/36/62/372453662.db2.gz MBLOYFJTJHEQOZ-SNVBAGLBSA-N 1 1 289.335 3.304 20 5 CGBDMO COC[C@@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000294175013 372603525 /nfs/dbraw/zinc/60/35/25/372603525.db2.gz JQYNYAJPONCJIA-AWEZNQCLSA-N 1 1 298.770 3.107 20 5 CGBDMO COC[C@@]1(C)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000294175013 372603534 /nfs/dbraw/zinc/60/35/34/372603534.db2.gz JQYNYAJPONCJIA-AWEZNQCLSA-N 1 1 298.770 3.107 20 5 CGBDMO C[C@H]1Cc2[nH+]cn(Cc3cccc([N+](=O)[O-])c3)c2C[C@@H]1C ZINC000296066202 373010812 /nfs/dbraw/zinc/01/08/12/373010812.db2.gz UZTWQPVNDQISDF-RYUDHWBXSA-N 1 1 285.347 3.210 20 5 CGBDMO CS[C@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000296428352 373129070 /nfs/dbraw/zinc/12/90/70/373129070.db2.gz VGGKQZHQASHVGQ-MNOVXSKESA-N 1 1 266.366 3.093 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000444772000 373267767 /nfs/dbraw/zinc/26/77/67/373267767.db2.gz LQQSPLMYENWNCR-CQSZACIVSA-N 1 1 292.379 3.471 20 5 CGBDMO CC[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000446718307 373343998 /nfs/dbraw/zinc/34/39/98/373343998.db2.gz AVSQQCSRBASFDN-CYBMUJFWSA-N 1 1 278.352 3.096 20 5 CGBDMO CC[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000446718309 373345490 /nfs/dbraw/zinc/34/54/90/373345490.db2.gz AVSQQCSRBASFDN-ZDUSSCGKSA-N 1 1 278.352 3.096 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000301211068 373692535 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CCc1nc(NCc2cccc([N+](=O)[O-])c2C)cc(C)[nH+]1 ZINC000314391821 374317599 /nfs/dbraw/zinc/31/75/99/374317599.db2.gz VFOLVBSLRUXEFC-UHFFFAOYSA-N 1 1 286.335 3.176 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000182693635 374313376 /nfs/dbraw/zinc/31/33/76/374313376.db2.gz UOVOLOIVTWEHFW-STQMWFEESA-N 1 1 292.379 3.464 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000182693635 374313383 /nfs/dbraw/zinc/31/33/83/374313383.db2.gz UOVOLOIVTWEHFW-STQMWFEESA-N 1 1 292.379 3.464 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCCO)CC(C)(C)C ZINC000183331560 374404000 /nfs/dbraw/zinc/40/40/00/374404000.db2.gz PDSMGAZVFOMJCH-UHFFFAOYSA-N 1 1 294.395 3.134 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)C1CCCCC1 ZINC000183207952 374386671 /nfs/dbraw/zinc/38/66/71/374386671.db2.gz NXAYLAUEAOWLMT-UHFFFAOYSA-N 1 1 292.379 3.030 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC1CCOCC1 ZINC000330579471 374483217 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CC[C@H](C)C[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509008420 375768649 /nfs/dbraw/zinc/76/86/49/375768649.db2.gz YBIBBWIONNNREM-VIFPVBQESA-N 1 1 272.295 3.351 20 5 CGBDMO Cc1cnc([C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000338377408 376356975 /nfs/dbraw/zinc/35/69/75/376356975.db2.gz IPTYWQCTVSETRH-LBPRGKRZSA-N 1 1 289.335 3.127 20 5 CGBDMO Cc1cnc([C@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000338377408 376356978 /nfs/dbraw/zinc/35/69/78/376356978.db2.gz IPTYWQCTVSETRH-LBPRGKRZSA-N 1 1 289.335 3.127 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)c(Cl)c1 ZINC000543908821 376686470 /nfs/dbraw/zinc/68/64/70/376686470.db2.gz VFXBBHASYCHHMN-LLVKDONJSA-N 1 1 280.755 3.480 20 5 CGBDMO CC/C=C/CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558740737 377042464 /nfs/dbraw/zinc/04/24/64/377042464.db2.gz OCKFBZYUXDJFQO-SNAWJCMRSA-N 1 1 262.353 3.425 20 5 CGBDMO C[C@H]1C[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000090795027 249029420 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CGBDMO CC(C)CO[C@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000268350108 378054591 /nfs/dbraw/zinc/05/45/91/378054591.db2.gz DFIYIWQGUKPOTK-KGLIPLIRSA-N 1 1 292.379 3.403 20 5 CGBDMO Cc1c([C@@H](C)NCCC[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000268775391 378108209 /nfs/dbraw/zinc/10/82/09/378108209.db2.gz RMJDOLFERWOPEY-CQSZACIVSA-N 1 1 293.411 3.284 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347390681 218216475 /nfs/dbraw/zinc/21/64/75/218216475.db2.gz SPFCPYFHWDICQS-ZWNOBZJWSA-N 1 1 252.289 3.090 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](C)(F)C1 ZINC000347390681 218216477 /nfs/dbraw/zinc/21/64/77/218216477.db2.gz SPFCPYFHWDICQS-ZWNOBZJWSA-N 1 1 252.289 3.090 20 5 CGBDMO C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1ccccc1[N+](=O)[O-] ZINC000349313988 379227438 /nfs/dbraw/zinc/22/74/38/379227438.db2.gz PVYTWIADWMPVSQ-GWCFXTLKSA-N 1 1 292.360 3.041 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000378233001 379792778 /nfs/dbraw/zinc/79/27/78/379792778.db2.gz KKGMTUKAGCOUFY-SNPRPXQTSA-N 1 1 290.363 3.014 20 5 CGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352785243 379958986 /nfs/dbraw/zinc/95/89/86/379958986.db2.gz VPXQLLVCRZKLLO-YPMHNXCESA-N 1 1 278.352 3.366 20 5 CGBDMO Cc1[nH+]ccn1CCCn1ccc2c1cccc2[N+](=O)[O-] ZINC000354269096 380380045 /nfs/dbraw/zinc/38/00/45/380380045.db2.gz ZYHOFAVDGFRSGV-UHFFFAOYSA-N 1 1 284.319 3.145 20 5 CGBDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000418112178 380701937 /nfs/dbraw/zinc/70/19/37/380701937.db2.gz BADDUBKDVKAPEF-BBBLOLIVSA-N 1 1 254.355 3.133 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)[C@H]1C ZINC000419373626 380819783 /nfs/dbraw/zinc/81/97/83/380819783.db2.gz OMRVRSURJGKQCD-VWYCJHECSA-N 1 1 289.335 3.212 20 5 CGBDMO CC[C@@H]1C[C@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000356984931 380972015 /nfs/dbraw/zinc/97/20/15/380972015.db2.gz ILLPAXLGSLUMBG-UKRRQHHQSA-N 1 1 292.379 3.232 20 5 CGBDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000357555555 381208212 /nfs/dbraw/zinc/20/82/12/381208212.db2.gz VCLLFHPCXUISLP-AAEUAGOBSA-N 1 1 278.352 3.366 20 5 CGBDMO COc1cc(C[N@H+]2CCC(C)=C(C)C2)ccc1[N+](=O)[O-] ZINC000361619922 381843174 /nfs/dbraw/zinc/84/31/74/381843174.db2.gz OXQUBQKNCGGWFV-UHFFFAOYSA-N 1 1 276.336 3.146 20 5 CGBDMO COc1cc(C[N@H+]2C[C@@H](C)CC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000362313281 381939414 /nfs/dbraw/zinc/93/94/14/381939414.db2.gz CELWJQINFZHOLA-WDEREUQCSA-N 1 1 296.342 3.363 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000477651303 285110590 /nfs/dbraw/zinc/11/05/90/285110590.db2.gz ZOSRYLXVKZRHDD-MRXNPFEDSA-N 1 1 274.364 3.402 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)cs1 ZINC000353746259 220296844 /nfs/dbraw/zinc/29/68/44/220296844.db2.gz BTUNXBYLYATWPI-AWEZNQCLSA-N 1 1 296.392 3.049 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@]3(CCCOC3)C2)cs1 ZINC000353746259 220296849 /nfs/dbraw/zinc/29/68/49/220296849.db2.gz BTUNXBYLYATWPI-AWEZNQCLSA-N 1 1 296.392 3.049 20 5 CGBDMO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000353816236 220348728 /nfs/dbraw/zinc/34/87/28/220348728.db2.gz LWVDPCVESVBSGX-SOFGYWHQSA-N 1 1 260.337 3.482 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H]2CCC=CO2)C2CC2)c1 ZINC000193702056 285153316 /nfs/dbraw/zinc/15/33/16/285153316.db2.gz XDJNOXJYMWYGIU-MRXNPFEDSA-N 1 1 288.347 3.252 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCCC[C@@H]1C ZINC000358416383 533218238 /nfs/dbraw/zinc/21/82/38/533218238.db2.gz WWJTZRWSJUCSAP-LBPRGKRZSA-N 1 1 278.352 3.368 20 5 CGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000051123864 392067328 /nfs/dbraw/zinc/06/73/28/392067328.db2.gz ULMJIXPVZCXJRW-UHFFFAOYSA-N 1 1 286.331 3.106 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCS1 ZINC000282411803 392290825 /nfs/dbraw/zinc/29/08/25/392290825.db2.gz FYUJJZFCHCPUNX-SNVBAGLBSA-N 1 1 284.356 3.061 20 5 CGBDMO COc1cc(C[N@@H+](C)CC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000361920116 392362467 /nfs/dbraw/zinc/36/24/67/392362467.db2.gz SIERBEBAYKETFH-UHFFFAOYSA-N 1 1 284.331 3.220 20 5 CGBDMO CC(C)([NH2+]Cc1cncc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000291650238 392476020 /nfs/dbraw/zinc/47/60/20/392476020.db2.gz CPHYKRNGPKFNOM-UHFFFAOYSA-N 1 1 289.310 3.154 20 5 CGBDMO C[C@@H]1CC[C@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000190738906 392817988 /nfs/dbraw/zinc/81/79/88/392817988.db2.gz OVXFQFNJTKHJQV-MLGOLLRUSA-N 1 1 290.363 3.127 20 5 CGBDMO C[N@@H+](CCc1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000511058160 392827202 /nfs/dbraw/zinc/82/72/02/392827202.db2.gz DWLUBJDWYYKPTI-UHFFFAOYSA-N 1 1 284.359 3.312 20 5 CGBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000466821015 393060788 /nfs/dbraw/zinc/06/07/88/393060788.db2.gz GANLYISEMWTQCY-OTYXRUKQSA-N 1 1 295.770 3.143 20 5 CGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000466906097 393066892 /nfs/dbraw/zinc/06/68/92/393066892.db2.gz YAMZEGJSZURQEL-QWHCGFSZSA-N 1 1 278.352 3.094 20 5 CGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000466923472 393072220 /nfs/dbraw/zinc/07/22/20/393072220.db2.gz KNOSFDRECNQPJH-DGCLKSJQSA-N 1 1 278.352 3.224 20 5 CGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000466935588 393075570 /nfs/dbraw/zinc/07/55/70/393075570.db2.gz KOKDDOQQGLHIJG-QWHCGFSZSA-N 1 1 278.352 3.094 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCS[C@H](C)C1 ZINC000470171085 393229720 /nfs/dbraw/zinc/22/97/20/393229720.db2.gz FKZACCHEZVKXRJ-LLBKUYECSA-N 1 1 292.404 3.435 20 5 CGBDMO CO[C@@H]1CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470175662 393229816 /nfs/dbraw/zinc/22/98/16/393229816.db2.gz RFNCQDXOLLYCGX-RCBBPTIPSA-N 1 1 290.363 3.109 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C)C1 ZINC000470176068 393231685 /nfs/dbraw/zinc/23/16/85/393231685.db2.gz HYYKZRYTLOTGQX-OXBCTQFSSA-N 1 1 260.337 3.340 20 5 CGBDMO C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000471542537 393284354 /nfs/dbraw/zinc/28/43/54/393284354.db2.gz OCBQTOCBACDSHG-JTQLQIEISA-N 1 1 295.770 3.311 20 5 CGBDMO COc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000475151588 393378197 /nfs/dbraw/zinc/37/81/97/393378197.db2.gz QWSFYGCBQZPETJ-FRRDWIJNSA-N 1 1 292.379 3.470 20 5 CGBDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000475154599 393378648 /nfs/dbraw/zinc/37/86/48/393378648.db2.gz DDVWHZUCPNUNCR-JHJVBQTASA-N 1 1 262.353 3.461 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000430215388 393540964 /nfs/dbraw/zinc/54/09/64/393540964.db2.gz GPMWPLHJHZNEIT-WFASDCNBSA-N 1 1 290.363 3.368 20 5 CGBDMO C[C@@H]1C[C@@H]1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000488358015 393495547 /nfs/dbraw/zinc/49/55/47/393495547.db2.gz QWXMJUBVPWAHJA-DGCLKSJQSA-N 1 1 260.337 3.215 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000430281106 393558568 /nfs/dbraw/zinc/55/85/68/393558568.db2.gz RIACHDHVIWLGKC-NSHDSACASA-N 1 1 276.336 3.001 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CC1(C)C ZINC000489397797 393593579 /nfs/dbraw/zinc/59/35/79/393593579.db2.gz FETLKQJFWRVTEX-AWEZNQCLSA-N 1 1 278.352 3.224 20 5 CGBDMO Cc1cccc(NCCNc2ccc([N+](=O)[O-])cc2C)[nH+]1 ZINC000360883022 393605903 /nfs/dbraw/zinc/60/59/03/393605903.db2.gz KVQRFBICIHFSPF-UHFFFAOYSA-N 1 1 286.335 3.131 20 5 CGBDMO CC(C)n1cncc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000424168157 393676755 /nfs/dbraw/zinc/67/67/55/393676755.db2.gz IHZLVYZOJBHMKZ-GFCCVEGCSA-N 1 1 288.351 3.223 20 5 CGBDMO CC[C@@H]([NH2+][C@H](C)CN(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000045691356 397625645 /nfs/dbraw/zinc/62/56/45/397625645.db2.gz UHYSKIVPDCWODF-CZUORRHYSA-N 1 1 293.411 3.366 20 5 CGBDMO CO[C@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296154058 286061365 /nfs/dbraw/zinc/06/13/65/286061365.db2.gz UEFUVBQHKVDWAZ-WFASDCNBSA-N 1 1 292.379 3.403 20 5 CGBDMO CC1(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000555596365 289351305 /nfs/dbraw/zinc/35/13/05/289351305.db2.gz IJQPMEGSEHUFEL-UHFFFAOYSA-N 1 1 260.337 3.359 20 5 CGBDMO C[C@H](c1ccco1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000069065477 165049246 /nfs/dbraw/zinc/04/92/46/165049246.db2.gz BMEZHAXOBYBUQM-GFCCVEGCSA-N 1 1 290.319 3.260 20 5 CGBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC1 ZINC000089905931 165219947 /nfs/dbraw/zinc/21/99/47/165219947.db2.gz SYVCLNNGIMSMMU-UHFFFAOYSA-N 1 1 287.319 3.234 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCc3occc32)cs1 ZINC000037562664 173272726 /nfs/dbraw/zinc/27/27/26/173272726.db2.gz NLZICKYCZFVHFR-LLVKDONJSA-N 1 1 278.333 3.417 20 5 CGBDMO O=[N+]([O-])c1cccc(CNc2[nH]c3ccccc3[nH+]2)c1 ZINC000040565676 174337688 /nfs/dbraw/zinc/33/76/88/174337688.db2.gz PEQXYESKMXRKBK-UHFFFAOYSA-N 1 1 268.276 3.083 20 5 CGBDMO C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000044537584 175200139 /nfs/dbraw/zinc/20/01/39/175200139.db2.gz VKTKTMTWPYSTOG-SNVBAGLBSA-N 1 1 283.759 3.002 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000354790545 227111278 /nfs/dbraw/zinc/11/12/78/227111278.db2.gz LHGQSJYKBKFBCQ-MRXNPFEDSA-N 1 1 292.379 3.150 20 5 CGBDMO CO[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000189362819 270071277 /nfs/dbraw/zinc/07/12/77/270071277.db2.gz LHALNULAHODFQC-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000189362819 270071278 /nfs/dbraw/zinc/07/12/78/270071278.db2.gz LHALNULAHODFQC-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000179315046 265754813 /nfs/dbraw/zinc/75/48/13/265754813.db2.gz HYUJITMQLDHGED-CYBMUJFWSA-N 1 1 260.337 3.383 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C1CCOCC1 ZINC000527054720 270124717 /nfs/dbraw/zinc/12/47/17/270124717.db2.gz NTLMTEHUYUIVRM-RAXLEYEMSA-N 1 1 290.363 3.109 20 5 CGBDMO CC[C@@H]([NH2+]Cc1ncccc1F)c1cccc([N+](=O)[O-])c1 ZINC000530529866 270200856 /nfs/dbraw/zinc/20/08/56/270200856.db2.gz GZLPCEZKTJFTHK-CQSZACIVSA-N 1 1 289.310 3.370 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000531778394 270209704 /nfs/dbraw/zinc/20/97/04/270209704.db2.gz GZQKFKKYLBKWRS-UHFFFAOYSA-N 1 1 291.395 3.214 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533072173 270221265 /nfs/dbraw/zinc/22/12/65/270221265.db2.gz JKVLYJVMWFFVSU-LBPRGKRZSA-N 1 1 298.342 3.420 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000533072173 270221266 /nfs/dbraw/zinc/22/12/66/270221266.db2.gz JKVLYJVMWFFVSU-LBPRGKRZSA-N 1 1 298.342 3.420 20 5 CGBDMO COCC(C)(C)[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000292075623 274016743 /nfs/dbraw/zinc/01/67/43/274016743.db2.gz FDOVEHJSLIEMFX-UHFFFAOYSA-N 1 1 286.759 3.105 20 5 CGBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000353963903 274073752 /nfs/dbraw/zinc/07/37/52/274073752.db2.gz YVKKIKLBBFSMSN-HOCLYGCPSA-N 1 1 292.379 3.230 20 5 CGBDMO C[C@@H]1Cc2[nH+]cn(CCc3ccc([N+](=O)[O-])cc3)c2C[C@@H]1C ZINC000319810210 287944773 /nfs/dbraw/zinc/94/47/73/287944773.db2.gz RHJSGKDMGCCUDA-OLZOCXBDSA-N 1 1 299.374 3.405 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264970144 281259118 /nfs/dbraw/zinc/25/91/18/281259118.db2.gz YZZUBUNOTNOUDE-UHFFFAOYSA-N 1 1 286.335 3.010 20 5 CGBDMO CCc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)on1 ZINC000531726012 288343811 /nfs/dbraw/zinc/34/38/11/288343811.db2.gz ZCCJPLBYUZKKDI-LLVKDONJSA-N 1 1 289.335 3.304 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000549545512 289046020 /nfs/dbraw/zinc/04/60/20/289046020.db2.gz XPQJZUJATOWHGT-DIOULYMOSA-N 1 1 290.363 3.311 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000549545512 289046026 /nfs/dbraw/zinc/04/60/26/289046026.db2.gz XPQJZUJATOWHGT-DIOULYMOSA-N 1 1 290.363 3.311 20 5 CGBDMO C[C@H]([N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000549770430 289052904 /nfs/dbraw/zinc/05/29/04/289052904.db2.gz DPYQUWUAFURYTH-JTQLQIEISA-N 1 1 266.341 3.167 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](CC3CC3)C2)cc1 ZINC000550423146 289076595 /nfs/dbraw/zinc/07/65/95/289076595.db2.gz ZIDGWLKPFMRJOS-HNNXBMFYSA-N 1 1 274.364 3.259 20 5 CGBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000158718750 290145438 /nfs/dbraw/zinc/14/54/38/290145438.db2.gz JRWUVJVQPSIMKW-XJKSGUPXSA-N 1 1 292.379 3.110 20 5 CGBDMO CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000565923467 322097116 /nfs/dbraw/zinc/09/71/16/322097116.db2.gz RAPQCLRNRYWLBS-KGLIPLIRSA-N 1 1 293.411 3.366 20 5 CGBDMO CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000565923467 322097118 /nfs/dbraw/zinc/09/71/18/322097118.db2.gz RAPQCLRNRYWLBS-KGLIPLIRSA-N 1 1 293.411 3.366 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000570927385 322285578 /nfs/dbraw/zinc/28/55/78/322285578.db2.gz NWJPNICMODYXFN-GFCCVEGCSA-N 1 1 297.358 3.329 20 5 CGBDMO CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000571296641 322295241 /nfs/dbraw/zinc/29/52/41/322295241.db2.gz WAVNYRTWUOYDFO-UHFFFAOYSA-N 1 1 266.341 3.094 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000582603422 329114441 /nfs/dbraw/zinc/11/44/41/329114441.db2.gz CTHSYIIJMGONSY-DZGCQCFKSA-N 1 1 292.379 3.464 20 5 CGBDMO COc1ccc(C[N@H+]2CC(C)(C)[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000582980418 329293877 /nfs/dbraw/zinc/29/38/77/329293877.db2.gz FILKFEFYKQYBQW-HNNXBMFYSA-N 1 1 292.379 3.470 20 5 CGBDMO CCC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1CC1 ZINC000577420690 335350947 /nfs/dbraw/zinc/35/09/47/335350947.db2.gz BMLJCEADYPEQED-UHFFFAOYSA-N 1 1 284.306 3.495 20 5 CGBDMO CCC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1CC1 ZINC000577420690 335350948 /nfs/dbraw/zinc/35/09/48/335350948.db2.gz BMLJCEADYPEQED-UHFFFAOYSA-N 1 1 284.306 3.495 20 5 CGBDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000195670112 336058081 /nfs/dbraw/zinc/05/80/81/336058081.db2.gz YPSLIALVKOZYAK-KBPBESRZSA-N 1 1 292.379 3.484 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411166027 528046106 /nfs/dbraw/zinc/04/61/06/528046106.db2.gz TZLDRFRYJMUKOZ-LBPRGKRZSA-N 1 1 293.367 3.044 20 5 CGBDMO CC[N@@H+](CCC1CC1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000355064701 528425508 /nfs/dbraw/zinc/42/55/08/528425508.db2.gz SSAPQFAQQXXWFX-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000745170846 572803319 /nfs/dbraw/zinc/80/33/19/572803319.db2.gz UFWCBTTYAAKHIG-LLVKDONJSA-N 1 1 266.316 3.356 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000091439858 618666528 /nfs/dbraw/zinc/66/65/28/618666528.db2.gz AMBNDRHPNVBJCP-AOOOYVTPSA-N 1 1 268.744 3.336 20 5 CGBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)CC1CC1 ZINC000234281164 619298189 /nfs/dbraw/zinc/29/81/89/619298189.db2.gz IYLMJQQEHWQRDB-UHFFFAOYSA-N 1 1 299.168 3.199 20 5 CGBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1Br)CC1CC1 ZINC000234281164 619298193 /nfs/dbraw/zinc/29/81/93/619298193.db2.gz IYLMJQQEHWQRDB-UHFFFAOYSA-N 1 1 299.168 3.199 20 5 CGBDMO O=[N+]([O-])CC[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC000791051377 619431447 /nfs/dbraw/zinc/43/14/47/619431447.db2.gz CELYKPMYUHHFBN-UHFFFAOYSA-N 1 1 262.353 3.098 20 5 CGBDMO CC(C)c1[nH+]ccn1CCNc1sccc1[N+](=O)[O-] ZINC000895987745 619922312 /nfs/dbraw/zinc/92/23/12/619922312.db2.gz LCKIOOILWVZZMF-UHFFFAOYSA-N 1 1 280.353 3.088 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1F ZINC000094774908 623490004 /nfs/dbraw/zinc/49/00/04/623490004.db2.gz LNZXNSDBKNTIAJ-JSGCOSHPSA-N 1 1 278.327 3.498 20 5 CGBDMO CC(C)[N@@H+](CC1CC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000915207893 623917136 /nfs/dbraw/zinc/91/71/36/623917136.db2.gz IEYJTWRWPUZXTO-UHFFFAOYSA-N 1 1 288.351 3.022 20 5 CGBDMO CC(C)C[C@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582539 628220989 /nfs/dbraw/zinc/22/09/89/628220989.db2.gz VESRHNFNICOZHC-CVEARBPZSA-N 1 1 292.379 3.139 20 5 CGBDMO CCC1(CC)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591936 628222077 /nfs/dbraw/zinc/22/20/77/628222077.db2.gz LRIKYZCDLYMYJJ-OAHLLOKOSA-N 1 1 292.379 3.140 20 5 CGBDMO CC[C@@]1(C)CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776589702 628222230 /nfs/dbraw/zinc/22/22/30/628222230.db2.gz VMDPOHNCUUOFFG-HOTGVXAUSA-N 1 1 292.379 3.140 20 5 CGBDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000782918687 628668059 /nfs/dbraw/zinc/66/80/59/628668059.db2.gz LXHKOYSRHUBLIA-VIFPVBQESA-N 1 1 295.726 3.119 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792875046 629389952 /nfs/dbraw/zinc/38/99/52/629389952.db2.gz XNAXJVDLGOXDKS-CMPLNLGQSA-N 1 1 293.323 3.266 20 5 CGBDMO CC(C)CC[C@@H]([NH3+])c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000863657792 629636066 /nfs/dbraw/zinc/63/60/66/629636066.db2.gz HIKBTTGVVRGOCN-GFCCVEGCSA-N 1 1 290.323 3.081 20 5 CGBDMO C[C@H]1CCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865565372 630191962 /nfs/dbraw/zinc/19/19/62/630191962.db2.gz WNRYNGFOKLCIMH-JTQLQIEISA-N 1 1 299.321 3.429 20 5 CGBDMO Cc1nn(C[N@H+]2CC[C@H](CC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000840149022 630681818 /nfs/dbraw/zinc/68/18/18/630681818.db2.gz CYBYUIKHWCZKON-CYBMUJFWSA-N 1 1 294.399 3.124 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]2C2CC2)cc1Cl ZINC000824650385 633268504 /nfs/dbraw/zinc/26/85/04/633268504.db2.gz MWDHKOZEWYBAGV-GFCCVEGCSA-N 1 1 266.728 3.233 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]2C2CC2)cc1Cl ZINC000824650385 633268505 /nfs/dbraw/zinc/26/85/05/633268505.db2.gz MWDHKOZEWYBAGV-GFCCVEGCSA-N 1 1 266.728 3.233 20 5 CGBDMO CO[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000824814878 633295143 /nfs/dbraw/zinc/29/51/43/633295143.db2.gz GBMRESLBWRFTMS-QMTHXVAHSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000824814878 633295146 /nfs/dbraw/zinc/29/51/46/633295146.db2.gz GBMRESLBWRFTMS-QMTHXVAHSA-N 1 1 298.770 3.105 20 5 CGBDMO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)O1 ZINC000827370157 633485721 /nfs/dbraw/zinc/48/57/21/633485721.db2.gz ASQALHQOXLSWBU-MNOVXSKESA-N 1 1 298.770 3.248 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)O1 ZINC000827370157 633485724 /nfs/dbraw/zinc/48/57/24/633485724.db2.gz ASQALHQOXLSWBU-MNOVXSKESA-N 1 1 298.770 3.248 20 5 CGBDMO CC(C)[N@@H+](C)CCCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872021259 633942302 /nfs/dbraw/zinc/94/23/02/633942302.db2.gz PRVLHVBHOMVRSR-LBPRGKRZSA-N 1 1 297.374 3.115 20 5 CGBDMO CC[C@@H]1C[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CCCO1 ZINC000877502124 635063684 /nfs/dbraw/zinc/06/36/84/635063684.db2.gz YWDYPMUKHMNQET-CQSZACIVSA-N 1 1 292.379 3.213 20 5 CGBDMO Cc1ccc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000877738077 635170296 /nfs/dbraw/zinc/17/02/96/635170296.db2.gz JMAOJWAOKSEFSX-KBPBESRZSA-N 1 1 292.404 3.088 20 5 CGBDMO NC(=[NH+]OCc1ccc([N+](=O)[O-])c(F)c1)C1CCCCC1 ZINC000842647724 635425427 /nfs/dbraw/zinc/42/54/27/635425427.db2.gz CHQWJEVSIOSOGT-UHFFFAOYSA-N 1 1 295.314 3.313 20 5 CGBDMO Cc1ccc(C[N@H+]2CCC[C@H](CF)C2)cc1[N+](=O)[O-] ZINC000880239075 635949761 /nfs/dbraw/zinc/94/97/61/635949761.db2.gz ULKTWLZYCIYXGV-CYBMUJFWSA-N 1 1 266.316 3.085 20 5 CGBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000885948795 637326762 /nfs/dbraw/zinc/32/67/62/637326762.db2.gz FRAPQBVRAHIDQX-OAHLLOKOSA-N 1 1 283.331 3.109 20 5 CGBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000885948795 637326765 /nfs/dbraw/zinc/32/67/65/637326765.db2.gz FRAPQBVRAHIDQX-OAHLLOKOSA-N 1 1 283.331 3.109 20 5 CGBDMO C[C@@H](C1CCCCC1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886174963 637448663 /nfs/dbraw/zinc/44/86/63/637448663.db2.gz NIELSGIRMHLYQA-LBPRGKRZSA-N 1 1 277.368 3.390 20 5 CGBDMO CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886280371 637481516 /nfs/dbraw/zinc/48/15/16/637481516.db2.gz CTSWCMXXKCCTTQ-VXGBXAGGSA-N 1 1 263.341 3.000 20 5 CGBDMO CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852710878 637698436 /nfs/dbraw/zinc/69/84/36/637698436.db2.gz AJZGAWFEPGBOLY-BJJXKVORSA-N 1 1 292.379 3.281 20 5 CGBDMO Cc1nnsc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000930208555 638983015 /nfs/dbraw/zinc/98/30/15/638983015.db2.gz SJVHLBXGARTCFJ-BDAKNGLRSA-N 1 1 292.364 3.167 20 5 CGBDMO CC[C@H](C)[N@@H+](Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000077441932 640238737 /nfs/dbraw/zinc/23/87/37/640238737.db2.gz UZKYJDOBTGZCHV-ZDUSSCGKSA-N 1 1 288.351 3.050 20 5 CGBDMO CC[C@H](C)[N@H+](Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000077441932 640238745 /nfs/dbraw/zinc/23/87/45/640238745.db2.gz UZKYJDOBTGZCHV-ZDUSSCGKSA-N 1 1 288.351 3.050 20 5 CGBDMO CC[C@@H]1C[C@H](C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254373772 806386728 /nfs/dbraw/zinc/38/67/28/806386728.db2.gz HJFXCVHDRHSIQB-MLGOLLRUSA-N 1 1 290.363 3.116 20 5 CGBDMO CCCC[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475720 806412817 /nfs/dbraw/zinc/41/28/17/806412817.db2.gz INLYUOHRZQQUFD-UHFFFAOYSA-N 1 1 291.395 3.296 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC1(F)F ZINC001254542384 806446403 /nfs/dbraw/zinc/44/64/03/806446403.db2.gz MSXNOAYDJCYSLE-GXFFZTMASA-N 1 1 284.306 3.303 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001254551737 806448051 /nfs/dbraw/zinc/44/80/51/806448051.db2.gz FAJONJBAHIXDNQ-KCPJHIHWSA-N 1 1 298.333 3.298 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001254551737 806448054 /nfs/dbraw/zinc/44/80/54/806448054.db2.gz FAJONJBAHIXDNQ-KCPJHIHWSA-N 1 1 298.333 3.298 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccn1 ZINC001254550134 806448065 /nfs/dbraw/zinc/44/80/65/806448065.db2.gz DFMQSPRBOLPBLP-ZDUSSCGKSA-N 1 1 285.347 3.053 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CF)C1 ZINC001254563292 806451692 /nfs/dbraw/zinc/45/16/92/806451692.db2.gz WEMZUXNIHUEZFH-OLZOCXBDSA-N 1 1 280.343 3.207 20 5 CGBDMO C[C@]1(F)CCCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254594983 806457093 /nfs/dbraw/zinc/45/70/93/806457093.db2.gz ULRWKXUOHVZHNO-HOTGVXAUSA-N 1 1 292.354 3.276 20 5 CGBDMO C[C@@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1C ZINC001254595986 806456785 /nfs/dbraw/zinc/45/67/85/806456785.db2.gz ASPJBHTVGXNUED-XNJGSVPQSA-N 1 1 288.391 3.430 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@H]3CCC[C@@H]31)C2 ZINC001254604007 806460341 /nfs/dbraw/zinc/46/03/41/806460341.db2.gz SAPNOXLRMDBGSQ-JLZZUVOBSA-N 1 1 286.375 3.327 20 5 CGBDMO CC(C)(C)[C@@H]([NH2+]Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000123577790 798995378 /nfs/dbraw/zinc/99/53/78/798995378.db2.gz FOCBWUSODMHQCU-AWEZNQCLSA-N 1 1 288.351 3.126 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)ccc1Cl ZINC000699204268 799857962 /nfs/dbraw/zinc/85/79/62/799857962.db2.gz FTURYMANEKELDH-GHMZBOCLSA-N 1 1 266.728 3.090 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)ccc1Cl ZINC000699204268 799857967 /nfs/dbraw/zinc/85/79/67/799857967.db2.gz FTURYMANEKELDH-GHMZBOCLSA-N 1 1 266.728 3.090 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1Cn1cc[nH+]c1C1CC1 ZINC000704132744 799934387 /nfs/dbraw/zinc/93/43/87/799934387.db2.gz RYXBZMFYGLBIRU-UHFFFAOYSA-N 1 1 277.711 3.370 20 5 CGBDMO CCc1[nH+]c(C)cn1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000715125944 800131483 /nfs/dbraw/zinc/13/14/83/800131483.db2.gz AHIYROSCCWHDOP-UHFFFAOYSA-N 1 1 259.309 3.019 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886830124 800547050 /nfs/dbraw/zinc/54/70/50/800547050.db2.gz MIWIMYMCCXRDHN-XJKCOSOUSA-N 1 1 290.363 3.157 20 5 CGBDMO C[N@H+]1CCC[C@H](CCNc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001165278400 806985035 /nfs/dbraw/zinc/98/50/35/806985035.db2.gz GFCQRXLJTKWUGX-LLVKDONJSA-N 1 1 297.786 3.392 20 5 CGBDMO COc1ccc(Nc2c(C)[nH+]c3ccccn32)c([N+](=O)[O-])c1 ZINC001248460897 804934577 /nfs/dbraw/zinc/93/45/77/804934577.db2.gz GXBCFGFZUBRFFU-UHFFFAOYSA-N 1 1 298.302 3.303 20 5 CGBDMO CCC1(CC)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001167656269 807224017 /nfs/dbraw/zinc/22/40/17/807224017.db2.gz HQVHKDWGIJKNOG-UHFFFAOYSA-N 1 1 292.379 3.486 20 5 CGBDMO CC(C)CC[C@@H]1CCCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC001167905644 807271056 /nfs/dbraw/zinc/27/10/56/807271056.db2.gz SMARQLRXFVOZAI-AWEZNQCLSA-N 1 1 294.399 3.119 20 5 CGBDMO C[C@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169011950 807553632 /nfs/dbraw/zinc/55/36/32/807553632.db2.gz NWCILOGBMVJJHI-YDHLFZDLSA-N 1 1 274.364 3.051 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCC[C@@H]2c2ccccc2)C1 ZINC001169037098 807555715 /nfs/dbraw/zinc/55/57/15/807555715.db2.gz IXTMVHHOAMPIBJ-CWRNSKLLSA-N 1 1 274.364 3.269 20 5 CGBDMO CC[N@@H+](Cc1cccs1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039797 807556784 /nfs/dbraw/zinc/55/67/84/807556784.db2.gz UBIRATXVKBRBBY-NWDGAFQWSA-N 1 1 268.382 3.015 20 5 CGBDMO C[N@@H+](CCc1ccccc1Cl)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037733 807557089 /nfs/dbraw/zinc/55/70/89/807557089.db2.gz TWXODCDUEHUBTQ-TZMCWYRMSA-N 1 1 296.798 3.260 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC001169042805 807557780 /nfs/dbraw/zinc/55/77/80/807557780.db2.gz FWTMBBXHSVRGKP-APHBMKBZSA-N 1 1 292.354 3.408 20 5 CGBDMO CC1(C)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001261638234 807771615 /nfs/dbraw/zinc/77/16/15/807771615.db2.gz UWJAYXXSWZJHIH-UHFFFAOYSA-N 1 1 266.316 3.354 20 5 CGBDMO CC1(C)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001261638234 807771620 /nfs/dbraw/zinc/77/16/20/807771620.db2.gz UWJAYXXSWZJHIH-UHFFFAOYSA-N 1 1 266.316 3.354 20 5 CGBDMO CCCC[N@@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170329526 807826308 /nfs/dbraw/zinc/82/63/08/807826308.db2.gz QMYFKOCSPUVXGC-GFCCVEGCSA-N 1 1 280.368 3.266 20 5 CGBDMO C[C@H]1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906878 808475810 /nfs/dbraw/zinc/47/58/10/808475810.db2.gz ZDJQUYYCRAJDQF-WFASDCNBSA-N 1 1 274.364 3.184 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@@H](F)C1)CC2 ZINC001172908498 808476216 /nfs/dbraw/zinc/47/62/16/808476216.db2.gz DAQSMVQYKKXEKT-CABCVRRESA-N 1 1 292.354 3.276 20 5 CGBDMO COC[C@@H]1CCCC[N@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222964 808539879 /nfs/dbraw/zinc/53/98/79/808539879.db2.gz VVJMSKBDMNBINZ-CJNGLKHVSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccn1 ZINC001173225341 808541371 /nfs/dbraw/zinc/54/13/71/808541371.db2.gz JMCWXUQZDOWIHW-CYBMUJFWSA-N 1 1 285.347 3.053 20 5 CGBDMO Cc1ccc(C[N@H+](C)[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173231004 808543298 /nfs/dbraw/zinc/54/32/98/808543298.db2.gz IGYLAENHWASBTR-AWEZNQCLSA-N 1 1 299.374 3.361 20 5 CGBDMO CC[C@@H]1CC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173236877 808545766 /nfs/dbraw/zinc/54/57/66/808545766.db2.gz FRAGMPMYUYZCBS-CHWSQXEVSA-N 1 1 262.353 3.258 20 5 CGBDMO C[C@@H]1C[C@H](C)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001176244116 809654358 /nfs/dbraw/zinc/65/43/58/809654358.db2.gz VQIPUEQXSAYYAF-ZIAGYGMSSA-N 1 1 292.379 3.342 20 5 CGBDMO CC[N@@H+](CCSC)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001182743108 810122527 /nfs/dbraw/zinc/12/25/27/810122527.db2.gz MGNVEGDZIMYYDZ-UHFFFAOYSA-N 1 1 282.409 3.397 20 5 CGBDMO Cc1cc[nH+]c(C)c1Nc1cccc([N+](=O)[O-])c1F ZINC001210378307 814432123 /nfs/dbraw/zinc/43/21/23/814432123.db2.gz GZQXBIYCGXKEFM-UHFFFAOYSA-N 1 1 261.256 3.489 20 5 CGBDMO C[C@@H](O[C@H]1CCC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001223429538 816628893 /nfs/dbraw/zinc/62/88/93/816628893.db2.gz LMKAPZITRDQBSH-DOMZBBRYSA-N 1 1 278.352 3.157 20 5 CGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(Cl)cc([N+](=O)[O-])c1)C2 ZINC001228255289 817851969 /nfs/dbraw/zinc/85/19/69/817851969.db2.gz HFXJIVNKNBYSGJ-YABSGUDNSA-N 1 1 296.754 3.252 20 5 CGBDMO C[N@H+]1CCC[C@H](CCNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001458428272 937462141 /nfs/dbraw/zinc/46/21/41/937462141.db2.gz IPVSJDJMVIUENV-LLVKDONJSA-N 1 1 297.786 3.392 20 5 CGBDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC001458548568 937468274 /nfs/dbraw/zinc/46/82/74/937468274.db2.gz RIVPRJKCECFLSV-INIZCTEOSA-N 1 1 283.331 3.193 20 5 CGBDMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC001458548568 937468275 /nfs/dbraw/zinc/46/82/75/937468275.db2.gz RIVPRJKCECFLSV-INIZCTEOSA-N 1 1 283.331 3.193 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001460100078 937515525 /nfs/dbraw/zinc/51/55/25/937515525.db2.gz PURGOMRRFKAHSE-UONOGXRCSA-N 1 1 292.379 3.484 20 5 CGBDMO COCC1([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC001460734315 937542492 /nfs/dbraw/zinc/54/24/92/937542492.db2.gz OGILZPCVQSAZKT-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO Cc1cc(O[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1Cl ZINC001229978268 932515305 /nfs/dbraw/zinc/51/53/05/932515305.db2.gz IVKFYELCHHCCCT-SNVBAGLBSA-N 1 1 284.743 3.030 20 5 CGBDMO Cc1cc(O[C@@H]2CCC[N@H+](C)CC2)cc([N+](=O)[O-])c1C ZINC001230472023 932575678 /nfs/dbraw/zinc/57/56/78/932575678.db2.gz YXUFWGAQEBVVFW-CYBMUJFWSA-N 1 1 278.352 3.075 20 5 CGBDMO C[C@@H](Oc1ccc2[nH+]c(N)[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC001230516737 932583061 /nfs/dbraw/zinc/58/30/61/932583061.db2.gz SHYFZMSICSRQGC-SECBINFHSA-N 1 1 298.302 3.193 20 5 CGBDMO CCC[N@@H+](C)CC(C)(C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC001472839228 937786134 /nfs/dbraw/zinc/78/61/34/937786134.db2.gz QZCITKOFWJHTDI-UHFFFAOYSA-N 1 1 283.347 3.266 20 5 CGBDMO CC[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001559769405 938235362 /nfs/dbraw/zinc/23/53/62/938235362.db2.gz OCGNKFNXZLRLPX-CHWSQXEVSA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001559923410 938239163 /nfs/dbraw/zinc/23/91/63/938239163.db2.gz ZXISHRQPXMAKEN-FRRDWIJNSA-N 1 1 262.353 3.114 20 5 CGBDMO Cc1cc(NC[C@H]2CCCC[N@H+]2C2CC2)c([N+](=O)[O-])s1 ZINC001559184435 960605590 /nfs/dbraw/zinc/60/55/90/960605590.db2.gz IBIFNPPPXRIZBV-GFCCVEGCSA-N 1 1 295.408 3.394 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591061648 346897263 /nfs/dbraw/zinc/89/72/63/346897263.db2.gz BPKZLLPIXYRNNP-ZDUSSCGKSA-N 1 1 260.337 3.217 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118750 347042272 /nfs/dbraw/zinc/04/22/72/347042272.db2.gz YHURJBYHBRFGJJ-GXFFZTMASA-N 1 1 282.290 3.387 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040624218 344964911 /nfs/dbraw/zinc/96/49/11/344964911.db2.gz WZANQRZSOBKQEK-ZDUSSCGKSA-N 1 1 277.368 3.045 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000048070723 345060327 /nfs/dbraw/zinc/06/03/27/345060327.db2.gz DZPPQZFCJVQRPM-LLVKDONJSA-N 1 1 294.351 3.082 20 5 CGBDMO Cc1c(C[N@H+](C)CCC(C)C)cccc1[N+](=O)[O-] ZINC000052246268 345100962 /nfs/dbraw/zinc/10/09/62/345100962.db2.gz UVPWERVPRFMKAU-UHFFFAOYSA-N 1 1 250.342 3.381 20 5 CGBDMO C[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000063302174 345245171 /nfs/dbraw/zinc/24/51/71/345245171.db2.gz UZYJMUUQFJBQAD-CYBMUJFWSA-N 1 1 278.352 3.096 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cs1 ZINC000075769145 232175379 /nfs/dbraw/zinc/17/53/79/232175379.db2.gz FWDPOVFYRFGMJB-NEPJUHHUSA-N 1 1 266.366 3.421 20 5 CGBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000074287810 345465263 /nfs/dbraw/zinc/46/52/63/345465263.db2.gz OJFRROQOVJAWAW-HZPDHXFCSA-N 1 1 292.379 3.029 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCc2cccnc21 ZINC000091661479 345819857 /nfs/dbraw/zinc/81/98/57/345819857.db2.gz HIAMFWFRXYCEFV-AWEZNQCLSA-N 1 1 283.331 3.157 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cs1 ZINC000159734120 346168702 /nfs/dbraw/zinc/16/87/02/346168702.db2.gz MOWGWNFTMDCYBY-RYUDHWBXSA-N 1 1 266.366 3.421 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)C[N@H+](C)C(C)C ZINC000311994647 346475537 /nfs/dbraw/zinc/47/55/37/346475537.db2.gz OXTBOOPQXVZUFY-GFCCVEGCSA-N 1 1 265.357 3.044 20 5 CGBDMO CCCn1nccc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000594933814 347234331 /nfs/dbraw/zinc/23/43/31/347234331.db2.gz CEQYRVIXMLRYKV-GFCCVEGCSA-N 1 1 288.351 3.052 20 5 CGBDMO CC[C@H](C)[C@H](C)[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595302046 347289261 /nfs/dbraw/zinc/28/92/61/347289261.db2.gz IQEFJHKGCHIIRN-ONGXEEELSA-N 1 1 281.356 3.290 20 5 CGBDMO COC1CCC([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595324249 347292010 /nfs/dbraw/zinc/29/20/10/347292010.db2.gz ZLIJYZKZKIMUDN-UHFFFAOYSA-N 1 1 296.342 3.123 20 5 CGBDMO Cc1noc(C[N@H+]2CC[C@H](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000595742245 347348866 /nfs/dbraw/zinc/34/88/66/347348866.db2.gz YANULDNBGOAIHH-ZDUSSCGKSA-N 1 1 293.367 3.293 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000595498361 347312527 /nfs/dbraw/zinc/31/25/27/347312527.db2.gz RTERERIYOYSIFD-LBPRGKRZSA-N 1 1 278.327 3.356 20 5 CGBDMO Cc1cc(NCC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])s1 ZINC000596271668 347408639 /nfs/dbraw/zinc/40/86/39/347408639.db2.gz RZSKJBYIUJKYJH-LLVKDONJSA-N 1 1 283.397 3.109 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000595832017 347362707 /nfs/dbraw/zinc/36/27/07/347362707.db2.gz OQDLCJILUJQROL-QGZVFWFLSA-N 1 1 298.342 3.248 20 5 CGBDMO C[N@H+](CC1=CCSC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595889032 347370968 /nfs/dbraw/zinc/37/09/68/347370968.db2.gz QWTSZMDPCGNFAG-UHFFFAOYSA-N 1 1 298.795 3.353 20 5 CGBDMO C[N@@H+](CC1=CCSC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595889032 347370969 /nfs/dbraw/zinc/37/09/69/347370969.db2.gz QWTSZMDPCGNFAG-UHFFFAOYSA-N 1 1 298.795 3.353 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000597212683 347555055 /nfs/dbraw/zinc/55/50/55/347555055.db2.gz XKHSFTXMIISPDJ-ZDUSSCGKSA-N 1 1 280.343 3.475 20 5 CGBDMO COc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@]32C)cc1[N+](=O)[O-] ZINC000599675857 347763872 /nfs/dbraw/zinc/76/38/72/347763872.db2.gz UOUQVGNBYXSTLG-BBRMVZONSA-N 1 1 290.363 3.368 20 5 CGBDMO C[N@H+]1CCCC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000599140575 347720552 /nfs/dbraw/zinc/72/05/52/347720552.db2.gz VXWPAYLWHWPAIF-JTQLQIEISA-N 1 1 299.321 3.017 20 5 CGBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCCC[C@H]3F)nc2c1 ZINC000602692580 348010748 /nfs/dbraw/zinc/01/07/48/348010748.db2.gz YGCHSPBGDINAKF-GHMZBOCLSA-N 1 1 293.298 3.106 20 5 CGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000603836717 348097507 /nfs/dbraw/zinc/09/75/07/348097507.db2.gz LURWRERKEVQGEZ-UHFFFAOYSA-N 1 1 278.352 3.238 20 5 CGBDMO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000609705530 348351395 /nfs/dbraw/zinc/35/13/95/348351395.db2.gz RMFCYLHXKPSCAO-NSHDSACASA-N 1 1 298.770 3.107 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccoc1C ZINC000608782103 348327045 /nfs/dbraw/zinc/32/70/45/348327045.db2.gz MVQVXVYCWLEKTM-UHFFFAOYSA-N 1 1 290.319 3.185 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2C2CC2)cs1 ZINC000609133525 348336990 /nfs/dbraw/zinc/33/69/90/348336990.db2.gz FMDUFIIIELUXGV-LLVKDONJSA-N 1 1 252.339 3.031 20 5 CGBDMO CC(C)(C)[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000609195373 348339793 /nfs/dbraw/zinc/33/97/93/348339793.db2.gz CJWHGEDHDTWZIU-HNNXBMFYSA-N 1 1 292.379 3.484 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ccsc1[N+](=O)[O-] ZINC000609353981 348342786 /nfs/dbraw/zinc/34/27/86/348342786.db2.gz FEKTVHFQDSLUPC-PHIMTYICSA-N 1 1 283.397 3.331 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2C2CC2)c(F)c1 ZINC000610476531 348384597 /nfs/dbraw/zinc/38/45/97/348384597.db2.gz FHHNUAZOSMGDDY-CQSZACIVSA-N 1 1 264.300 3.108 20 5 CGBDMO Cc1cn2cc(Nc3ccc([N+](=O)[O-])cc3F)ccc2[nH+]1 ZINC000610116084 348363245 /nfs/dbraw/zinc/36/32/45/348363245.db2.gz HXEPKLQKIJZBPP-UHFFFAOYSA-N 1 1 286.266 3.434 20 5 CGBDMO CO[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000611941926 348482030 /nfs/dbraw/zinc/48/20/30/348482030.db2.gz FCGUOEMCDVHKLB-QWHCGFSZSA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000612577476 348529576 /nfs/dbraw/zinc/52/95/76/348529576.db2.gz YSZQILIRLOFKCA-AWEZNQCLSA-N 1 1 286.331 3.486 20 5 CGBDMO CSC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000292443974 198290462 /nfs/dbraw/zinc/29/04/62/198290462.db2.gz OSWRWFXJYGOAEI-ZDUSSCGKSA-N 1 1 280.393 3.170 20 5 CGBDMO Cc1cnc(CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000157421331 188315900 /nfs/dbraw/zinc/31/59/00/188315900.db2.gz KZFXFRAISMZOIO-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCSC3(CCC3)CC2)c1 ZINC000411871243 235089331 /nfs/dbraw/zinc/08/93/31/235089331.db2.gz QOBJUTSXFJTYTG-UHFFFAOYSA-N 1 1 292.404 3.456 20 5 CGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000426831065 236317290 /nfs/dbraw/zinc/31/72/90/236317290.db2.gz CTHUTIPWDJQOEG-OKILXGFUSA-N 1 1 290.363 3.096 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1CCNc1c(F)cccc1[N+](=O)[O-] ZINC000341546654 216007677 /nfs/dbraw/zinc/00/76/77/216007677.db2.gz LCEWHPZERGBJGN-LLVKDONJSA-N 1 1 281.331 3.020 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000298321427 200393810 /nfs/dbraw/zinc/39/38/10/200393810.db2.gz QUFVDBDGGPFZBD-KGLIPLIRSA-N 1 1 296.317 3.380 20 5 CGBDMO CC1(C)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177072296 189026639 /nfs/dbraw/zinc/02/66/39/189026639.db2.gz ACMSUTYLUGEWDP-UHFFFAOYSA-N 1 1 289.335 3.358 20 5 CGBDMO CC(C)[N@@H+](CCCF)Cc1ccc([N+](=O)[O-])cc1 ZINC000178329346 189107521 /nfs/dbraw/zinc/10/75/21/189107521.db2.gz JITDMVKURMCKMB-UHFFFAOYSA-N 1 1 254.305 3.165 20 5 CGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000301475800 201021544 /nfs/dbraw/zinc/02/15/44/201021544.db2.gz WIDUBYFYNJMPLT-LBPRGKRZSA-N 1 1 295.358 3.045 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000301581601 201079608 /nfs/dbraw/zinc/07/96/08/201079608.db2.gz TYVBQMFJOOLYLG-CQSZACIVSA-N 1 1 291.395 3.436 20 5 CGBDMO CC[N@H+]1CCCC[C@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000301808231 201211003 /nfs/dbraw/zinc/21/10/03/201211003.db2.gz WWECRHAGOKCAHV-JTQLQIEISA-N 1 1 299.321 3.159 20 5 CGBDMO C[N@H+]1CC[C@H](Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000301826156 201220996 /nfs/dbraw/zinc/22/09/96/201220996.db2.gz FAMGAPPXJRHFPW-DOTOQJQBSA-N 1 1 297.358 3.452 20 5 CGBDMO CC1=CC[N@@H+](CCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000302157526 201371431 /nfs/dbraw/zinc/37/14/31/201371431.db2.gz ODJAQJNKTMRBEL-UHFFFAOYSA-N 1 1 295.770 3.312 20 5 CGBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2cccc(C)c2[N+](=O)[O-])C1 ZINC000275400255 193021395 /nfs/dbraw/zinc/02/13/95/193021395.db2.gz DQDOQKBIGXODTA-AWEZNQCLSA-N 1 1 291.395 3.071 20 5 CGBDMO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000275920315 193162295 /nfs/dbraw/zinc/16/22/95/193162295.db2.gz VTOOBZVQUBSAAJ-JQWIXIFHSA-N 1 1 286.335 3.105 20 5 CGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000481399894 243193870 /nfs/dbraw/zinc/19/38/70/243193870.db2.gz GAUQLIHJMKMOFB-SWLSCSKDSA-N 1 1 262.353 3.258 20 5 CGBDMO CCC[C@@H](NCC[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000020024038 368793503 /nfs/dbraw/zinc/79/35/03/368793503.db2.gz NHVJRDZKZTUGCS-MRXNPFEDSA-N 1 1 293.411 3.367 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@H]1CCCCO1 ZINC000330734047 203168383 /nfs/dbraw/zinc/16/83/83/203168383.db2.gz UJNNCZOBFMMNJL-UKRRQHHQSA-N 1 1 292.379 3.465 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCCO1 ZINC000064350421 369653669 /nfs/dbraw/zinc/65/36/69/369653669.db2.gz PTYJHMHTVUZIKE-INIZCTEOSA-N 1 1 292.379 3.374 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000102926921 370314233 /nfs/dbraw/zinc/31/42/33/370314233.db2.gz OJLUJAPFMYRJON-AWEZNQCLSA-N 1 1 260.337 3.359 20 5 CGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000130634033 371048469 /nfs/dbraw/zinc/04/84/69/371048469.db2.gz YOAKWXSONYUWJB-GFCCVEGCSA-N 1 1 295.358 3.410 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1Cn1c[nH+]c2c1CCCC2 ZINC000130440313 371032982 /nfs/dbraw/zinc/03/29/82/371032982.db2.gz XKYOSNDYFBQJBI-UHFFFAOYSA-N 1 1 291.738 3.372 20 5 CGBDMO CC[C@@H](NC[C@H](C)[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000131049588 371080282 /nfs/dbraw/zinc/08/02/82/371080282.db2.gz IUKYHCMTPVARMT-BLLLJJGKSA-N 1 1 291.395 3.118 20 5 CGBDMO CC[C@@H](NC[C@H](C)[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000131049588 371080289 /nfs/dbraw/zinc/08/02/89/371080289.db2.gz IUKYHCMTPVARMT-BLLLJJGKSA-N 1 1 291.395 3.118 20 5 CGBDMO Cc1ccoc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135152800 371395249 /nfs/dbraw/zinc/39/52/49/371395249.db2.gz LRLCQKPHNYKBPX-NSHDSACASA-N 1 1 260.293 3.347 20 5 CGBDMO CCCCOCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135240711 371404523 /nfs/dbraw/zinc/40/45/23/371404523.db2.gz YMCJBIPFCLVJLV-UHFFFAOYSA-N 1 1 292.379 3.376 20 5 CGBDMO CCCCOCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135240711 371404526 /nfs/dbraw/zinc/40/45/26/371404526.db2.gz YMCJBIPFCLVJLV-UHFFFAOYSA-N 1 1 292.379 3.376 20 5 CGBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000153770258 371786704 /nfs/dbraw/zinc/78/67/04/371786704.db2.gz AGIINBYTVYHJQO-UHFFFAOYSA-N 1 1 272.304 3.449 20 5 CGBDMO Cc1nocc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000293560429 372411725 /nfs/dbraw/zinc/41/17/25/372411725.db2.gz MBLKSADJYAWSLX-JTQLQIEISA-N 1 1 275.308 3.050 20 5 CGBDMO COC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172180525 372920388 /nfs/dbraw/zinc/92/03/88/372920388.db2.gz ITACYTNFXJKRPB-LLVKDONJSA-N 1 1 298.770 3.107 20 5 CGBDMO C[C@@H]1Cc2[nH+]cn(Cc3cccc([N+](=O)[O-])c3)c2C[C@@H]1C ZINC000296066188 373010473 /nfs/dbraw/zinc/01/04/73/373010473.db2.gz UZTWQPVNDQISDF-NEPJUHHUSA-N 1 1 285.347 3.210 20 5 CGBDMO Cc1[nH+]ccn1CCCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000298507293 373343711 /nfs/dbraw/zinc/34/37/11/373343711.db2.gz LQKUBZJZLHHQEW-UHFFFAOYSA-N 1 1 295.726 3.222 20 5 CGBDMO CC[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000446736674 373354115 /nfs/dbraw/zinc/35/41/15/373354115.db2.gz WCPMARGIIWCDBA-SNVBAGLBSA-N 1 1 268.744 3.480 20 5 CGBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000301280406 373726745 /nfs/dbraw/zinc/72/67/45/373726745.db2.gz JVBZXTBYKNJVOG-NSHDSACASA-N 1 1 297.786 3.026 20 5 CGBDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000449781504 373910755 /nfs/dbraw/zinc/91/07/55/373910755.db2.gz XKJXRDHUTWFLML-CQSZACIVSA-N 1 1 292.379 3.152 20 5 CGBDMO C[C@@H](c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451896514 374211540 /nfs/dbraw/zinc/21/15/40/374211540.db2.gz GNQXACFBOOHHNI-BBRMVZONSA-N 1 1 290.363 3.158 20 5 CGBDMO C[C@@H]1CCC(C)(C)[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000451999620 374213450 /nfs/dbraw/zinc/21/34/50/374213450.db2.gz AVURKGGKSCTESW-SNVBAGLBSA-N 1 1 266.316 3.497 20 5 CGBDMO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000452045393 374215502 /nfs/dbraw/zinc/21/55/02/374215502.db2.gz XCHDOCRTZWGWRJ-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000452045393 374215508 /nfs/dbraw/zinc/21/55/08/374215508.db2.gz XCHDOCRTZWGWRJ-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000311766453 374255248 /nfs/dbraw/zinc/25/52/48/374255248.db2.gz VOMMNQPJPWOCMT-JTQLQIEISA-N 1 1 285.775 3.389 20 5 CGBDMO CO[C@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182743331 374321500 /nfs/dbraw/zinc/32/15/00/374321500.db2.gz UXQDMTNVHZNKPE-JSGCOSHPSA-N 1 1 278.352 3.075 20 5 CGBDMO Cc1ccc([C@@H](C)N[C@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000315029920 374324548 /nfs/dbraw/zinc/32/45/48/374324548.db2.gz WHBNENAXUNNFHZ-ZIAGYGMSSA-N 1 1 293.411 3.283 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+][C@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000315029920 374324555 /nfs/dbraw/zinc/32/45/55/374324555.db2.gz WHBNENAXUNNFHZ-ZIAGYGMSSA-N 1 1 293.411 3.283 20 5 CGBDMO CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000331267989 374518414 /nfs/dbraw/zinc/51/84/14/374518414.db2.gz KDMDNYNFYKLGKZ-GWCFXTLKSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000331267989 374518417 /nfs/dbraw/zinc/51/84/17/374518417.db2.gz KDMDNYNFYKLGKZ-GWCFXTLKSA-N 1 1 298.770 3.248 20 5 CGBDMO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1C ZINC000487977021 375290012 /nfs/dbraw/zinc/29/00/12/375290012.db2.gz FMFLQOKXPCRBSX-BBRMVZONSA-N 1 1 292.379 3.232 20 5 CGBDMO COCC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000507159063 375679769 /nfs/dbraw/zinc/67/97/69/375679769.db2.gz GWVXFZIEBHQECV-UHFFFAOYSA-N 1 1 292.379 3.329 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000336810629 375963387 /nfs/dbraw/zinc/96/33/87/375963387.db2.gz ISZMNBXRWORMCY-GHMZBOCLSA-N 1 1 266.316 3.212 20 5 CGBDMO CSCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000194428727 376003098 /nfs/dbraw/zinc/00/30/98/376003098.db2.gz DQDUWZHIBLGTMD-UHFFFAOYSA-N 1 1 274.773 3.043 20 5 CGBDMO CSCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000194428727 376003102 /nfs/dbraw/zinc/00/31/02/376003102.db2.gz DQDUWZHIBLGTMD-UHFFFAOYSA-N 1 1 274.773 3.043 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H]1CC=CCC1)C2 ZINC000537625720 376185529 /nfs/dbraw/zinc/18/55/29/376185529.db2.gz RYZNGMWKYNGFNL-ZDUSSCGKSA-N 1 1 272.348 3.309 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000544785680 376762470 /nfs/dbraw/zinc/76/24/70/376762470.db2.gz DZBSBVJQWODRNQ-GFCCVEGCSA-N 1 1 262.353 3.463 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](CC3CC3)C2)cs1 ZINC000339672266 376798225 /nfs/dbraw/zinc/79/82/25/376798225.db2.gz CCJODHQPKMJTAU-LLVKDONJSA-N 1 1 266.366 3.278 20 5 CGBDMO CC[C@H](C)[N@@H+](C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000247148830 377167203 /nfs/dbraw/zinc/16/72/03/377167203.db2.gz WVOKDLVHKYLNHU-GXTWGEPZSA-N 1 1 293.411 3.284 20 5 CGBDMO CC[C@H](C)N(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000247148830 377167209 /nfs/dbraw/zinc/16/72/09/377167209.db2.gz WVOKDLVHKYLNHU-GXTWGEPZSA-N 1 1 293.411 3.284 20 5 CGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000562236780 377284920 /nfs/dbraw/zinc/28/49/20/377284920.db2.gz KSQRONVSMPFWQJ-LLVKDONJSA-N 1 1 283.347 3.266 20 5 CGBDMO CC[C@]1(C)C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000248955357 377434085 /nfs/dbraw/zinc/43/40/85/377434085.db2.gz QCNNOYSFMXNPJV-CZUORRHYSA-N 1 1 292.379 3.465 20 5 CGBDMO CC[C@]1(C)C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000248955357 377434090 /nfs/dbraw/zinc/43/40/90/377434090.db2.gz QCNNOYSFMXNPJV-CZUORRHYSA-N 1 1 292.379 3.465 20 5 CGBDMO CO[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C ZINC000251665927 377591886 /nfs/dbraw/zinc/59/18/86/377591886.db2.gz IHBYLZABFSPKMC-IINYFYTJSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C ZINC000251665927 377591892 /nfs/dbraw/zinc/59/18/92/377591892.db2.gz IHBYLZABFSPKMC-IINYFYTJSA-N 1 1 298.770 3.105 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCC2CC2)C2CC2)cc1 ZINC000343939165 378138682 /nfs/dbraw/zinc/13/86/82/378138682.db2.gz WWFVGJXSVGBOHK-UHFFFAOYSA-N 1 1 260.337 3.359 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000578887088 378110039 /nfs/dbraw/zinc/11/00/39/378110039.db2.gz JDXRXCVZAOBNPN-UHFFFAOYSA-N 1 1 256.733 3.479 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278214606 379319848 /nfs/dbraw/zinc/31/98/48/379319848.db2.gz KOBUDDYWZLMTAL-SNVBAGLBSA-N 1 1 281.312 3.123 20 5 CGBDMO CO[C@@]1(C)CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280337135 379681055 /nfs/dbraw/zinc/68/10/55/379681055.db2.gz IDPIKMZMJKNXGO-INIZCTEOSA-N 1 1 292.379 3.028 20 5 CGBDMO CC[C@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000352611028 379877060 /nfs/dbraw/zinc/87/70/60/379877060.db2.gz BFXJTGMBTXWMHR-CQSZACIVSA-N 1 1 266.316 3.356 20 5 CGBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CC1 ZINC000388305255 379884289 /nfs/dbraw/zinc/88/42/89/379884289.db2.gz FFUUXGMTTPTGID-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO CC(C)CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C1CCCC1 ZINC000355547783 380707282 /nfs/dbraw/zinc/70/72/82/380707282.db2.gz ABXXPJSRFBJGEP-UHFFFAOYSA-N 1 1 294.399 3.119 20 5 CGBDMO C[C@H](C1CCC1)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000357026167 380996992 /nfs/dbraw/zinc/99/69/92/380996992.db2.gz BTXSLFSCAJWZGV-SNVBAGLBSA-N 1 1 266.316 3.354 20 5 CGBDMO CC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000357321734 381104535 /nfs/dbraw/zinc/10/45/35/381104535.db2.gz GPZRRPNJFFRVTM-LBPRGKRZSA-N 1 1 278.352 3.225 20 5 CGBDMO O=[N+]([O-])c1cccc(C[NH+]2CC(c3ccccc3F)C2)c1 ZINC000361251666 381665771 /nfs/dbraw/zinc/66/57/71/381665771.db2.gz NHVYOBYNAALDBP-UHFFFAOYSA-N 1 1 286.306 3.333 20 5 CGBDMO CO[C@@]1(C)CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000361425807 381741765 /nfs/dbraw/zinc/74/17/65/381741765.db2.gz PMAOJUUSZONPHR-HNNXBMFYSA-N 1 1 296.342 3.125 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000362315821 381941575 /nfs/dbraw/zinc/94/15/75/381941575.db2.gz IOKFHZGORGQTFL-GHMZBOCLSA-N 1 1 296.342 3.363 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC23CCC3)cc1 ZINC000444784444 285110622 /nfs/dbraw/zinc/11/06/22/285110622.db2.gz NVVUOZJDULFXQV-UHFFFAOYSA-N 1 1 260.337 3.156 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000247520253 285112636 /nfs/dbraw/zinc/11/26/36/285112636.db2.gz NIBZRIXZXZSROZ-UKRRQHHQSA-N 1 1 260.337 3.359 20 5 CGBDMO Cc1cccc(C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000353745319 220297259 /nfs/dbraw/zinc/29/72/59/220297259.db2.gz IVBNHNVWYBOZJD-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO Cc1cccc(C[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000353745319 220297265 /nfs/dbraw/zinc/29/72/65/220297265.db2.gz IVBNHNVWYBOZJD-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158375938 285155169 /nfs/dbraw/zinc/15/51/69/285155169.db2.gz PLBWQIMOZGRPQR-WDEREUQCSA-N 1 1 295.770 3.287 20 5 CGBDMO CCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000311909739 542431201 /nfs/dbraw/zinc/43/12/01/542431201.db2.gz RZUWFUAFVMNTNS-UHFFFAOYSA-N 1 1 266.316 3.498 20 5 CGBDMO CO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000282056745 392277817 /nfs/dbraw/zinc/27/78/17/392277817.db2.gz BGYHWJDNBQXGAT-GWCFXTLKSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000282056745 392277820 /nfs/dbraw/zinc/27/78/20/392277820.db2.gz BGYHWJDNBQXGAT-GWCFXTLKSA-N 1 1 298.770 3.248 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC3(CC3)C2)cc1F ZINC000282639415 392293934 /nfs/dbraw/zinc/29/39/34/392293934.db2.gz BMYTUKPDOVRJNF-UHFFFAOYSA-N 1 1 264.300 3.110 20 5 CGBDMO C[C@H](c1ccncc1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000127613160 392448109 /nfs/dbraw/zinc/44/81/09/392448109.db2.gz SRLRAYPHDHFMGK-CYBMUJFWSA-N 1 1 285.347 3.225 20 5 CGBDMO CC1(C)C[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C1CC1 ZINC000291523953 392463126 /nfs/dbraw/zinc/46/31/26/392463126.db2.gz JKOBZXDMHCVCGG-LBPRGKRZSA-N 1 1 266.366 3.277 20 5 CGBDMO CC1(C)C[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C1CC1 ZINC000291523953 392463136 /nfs/dbraw/zinc/46/31/36/392463136.db2.gz JKOBZXDMHCVCGG-LBPRGKRZSA-N 1 1 266.366 3.277 20 5 CGBDMO CCC[C@@]1(CO)CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000344236447 393041430 /nfs/dbraw/zinc/04/14/30/393041430.db2.gz MRJVRTVCBLJBLY-CZUORRHYSA-N 1 1 292.379 3.140 20 5 CGBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000466821017 393060483 /nfs/dbraw/zinc/06/04/83/393060483.db2.gz GANLYISEMWTQCY-YMTOWFKASA-N 1 1 295.770 3.143 20 5 CGBDMO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276349108 393297599 /nfs/dbraw/zinc/29/75/99/393297599.db2.gz VYHMAHVQJSZKSV-LLVKDONJSA-N 1 1 289.310 3.322 20 5 CGBDMO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276349108 393297608 /nfs/dbraw/zinc/29/76/08/393297608.db2.gz VYHMAHVQJSZKSV-LLVKDONJSA-N 1 1 289.310 3.322 20 5 CGBDMO CC1=C(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000280776245 393344533 /nfs/dbraw/zinc/34/45/33/393344533.db2.gz POUWXPUIOBQMMN-UHFFFAOYSA-N 1 1 287.319 3.278 20 5 CGBDMO CC1=C(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000280776245 393344536 /nfs/dbraw/zinc/34/45/36/393344536.db2.gz POUWXPUIOBQMMN-UHFFFAOYSA-N 1 1 287.319 3.278 20 5 CGBDMO CSC1(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000356306829 393416352 /nfs/dbraw/zinc/41/63/52/393416352.db2.gz RLHNBRVQMBEDTI-UHFFFAOYSA-N 1 1 294.420 3.355 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420287341 393450047 /nfs/dbraw/zinc/45/00/47/393450047.db2.gz HVRYNDIMDZHJGK-RDBSUJKOSA-N 1 1 291.395 3.023 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000430215387 393540370 /nfs/dbraw/zinc/54/03/70/393540370.db2.gz GPMWPLHJHZNEIT-SWLSCSKDSA-N 1 1 290.363 3.368 20 5 CGBDMO C[C@H]1CC[C@@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000429592242 393490274 /nfs/dbraw/zinc/49/02/74/393490274.db2.gz SIJNFNWTQXSMJT-SWLSCSKDSA-N 1 1 262.353 3.258 20 5 CGBDMO Cc1c(C[N@@H+]2CCSCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000429766303 393500581 /nfs/dbraw/zinc/50/05/81/393500581.db2.gz MQRHVBLIBRWKLD-NSHDSACASA-N 1 1 280.393 3.231 20 5 CGBDMO CC1=C[C@@H](C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000430271459 393554324 /nfs/dbraw/zinc/55/43/24/393554324.db2.gz XXXMTQFBAXOSHT-SNVBAGLBSA-N 1 1 264.300 3.132 20 5 CGBDMO CC1=C[C@@H](C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000430271459 393554328 /nfs/dbraw/zinc/55/43/28/393554328.db2.gz XXXMTQFBAXOSHT-SNVBAGLBSA-N 1 1 264.300 3.132 20 5 CGBDMO C[C@H]1COc2ccccc2C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000359850737 393555689 /nfs/dbraw/zinc/55/56/89/393555689.db2.gz RQTHIHAIWLCCSY-ZDUSSCGKSA-N 1 1 298.342 3.378 20 5 CGBDMO C[C@H]1COc2ccccc2C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000359850737 393555698 /nfs/dbraw/zinc/55/56/98/393555698.db2.gz RQTHIHAIWLCCSY-ZDUSSCGKSA-N 1 1 298.342 3.378 20 5 CGBDMO CC1(C)CCC[N@@H+](CCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000443958395 393778255 /nfs/dbraw/zinc/77/82/55/393778255.db2.gz FPSZJDZIZLIJSG-UHFFFAOYSA-N 1 1 277.368 3.129 20 5 CGBDMO CO[C@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[C@H]1C ZINC000189281784 286074207 /nfs/dbraw/zinc/07/42/07/286074207.db2.gz ZJEGICGRQLKHOE-XUJVJEKNSA-N 1 1 278.352 3.013 20 5 CGBDMO Cc1csc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000080347094 287064862 /nfs/dbraw/zinc/06/48/62/287064862.db2.gz XFBPIQWLSBSJOR-UHFFFAOYSA-N 1 1 291.376 3.385 20 5 CGBDMO C[C@@H](c1ccco1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000069065473 165048872 /nfs/dbraw/zinc/04/88/72/165048872.db2.gz BMEZHAXOBYBUQM-LBPRGKRZSA-N 1 1 290.319 3.260 20 5 CGBDMO CC[C@@H](C)C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000111254459 287133730 /nfs/dbraw/zinc/13/37/30/287133730.db2.gz ACLWFQKGMVBKBL-GFCCVEGCSA-N 1 1 250.342 3.115 20 5 CGBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000119551650 287170863 /nfs/dbraw/zinc/17/08/63/287170863.db2.gz PBIKLOPDWHLWAH-VIFPVBQESA-N 1 1 286.784 3.186 20 5 CGBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000119551650 287170865 /nfs/dbraw/zinc/17/08/65/287170865.db2.gz PBIKLOPDWHLWAH-VIFPVBQESA-N 1 1 286.784 3.186 20 5 CGBDMO COc1ccccc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525949 171238971 /nfs/dbraw/zinc/23/89/71/171238971.db2.gz WHJNJRBNYFRTBU-GFCCVEGCSA-N 1 1 286.331 3.454 20 5 CGBDMO CCC[C@H](NC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037267002 173078048 /nfs/dbraw/zinc/07/80/48/173078048.db2.gz ISDBGMYMUCLACX-INIZCTEOSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@@H](NC[C@@H](C)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000038028839 174018492 /nfs/dbraw/zinc/01/84/92/174018492.db2.gz XGOJFKQEHGHESM-ZIAGYGMSSA-N 1 1 291.395 3.120 20 5 CGBDMO Cc1ncsc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000071212291 176084347 /nfs/dbraw/zinc/08/43/47/176084347.db2.gz LFNKMLCPDWTGLM-VIFPVBQESA-N 1 1 277.349 3.211 20 5 CGBDMO Cc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc1 ZINC000130662954 287360747 /nfs/dbraw/zinc/36/07/47/287360747.db2.gz QLPZOLOLJPLGQP-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc1 ZINC000130662954 287360749 /nfs/dbraw/zinc/36/07/49/287360749.db2.gz QLPZOLOLJPLGQP-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO CCCC[N@@H+](CCCO)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000183114208 270054917 /nfs/dbraw/zinc/05/49/17/270054917.db2.gz QHIJNHKLRJXDPL-CQSZACIVSA-N 1 1 294.395 3.449 20 5 CGBDMO C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCS1 ZINC000192168848 270077105 /nfs/dbraw/zinc/07/71/05/270077105.db2.gz CLLRPCULSWRITP-SNVBAGLBSA-N 1 1 284.356 3.061 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCS1 ZINC000192168848 270077106 /nfs/dbraw/zinc/07/71/06/270077106.db2.gz CLLRPCULSWRITP-SNVBAGLBSA-N 1 1 284.356 3.061 20 5 CGBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](C)C(C)C ZINC000521480847 270102073 /nfs/dbraw/zinc/10/20/73/270102073.db2.gz LALFKGZVHBGLIO-ZDUSSCGKSA-N 1 1 280.368 3.340 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000531439853 270206859 /nfs/dbraw/zinc/20/68/59/270206859.db2.gz AQFMQMZOQKCHTP-KRWDZBQOSA-N 1 1 297.358 3.369 20 5 CGBDMO CCN(CC)C[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531959473 270211635 /nfs/dbraw/zinc/21/16/35/270211635.db2.gz DKSBFBSMVSNMHJ-KBPBESRZSA-N 1 1 293.411 3.284 20 5 CGBDMO COCC(C)(C)[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429237003 274016791 /nfs/dbraw/zinc/01/67/91/274016791.db2.gz NTVILBFJNFDTSB-UHFFFAOYSA-N 1 1 286.759 3.105 20 5 CGBDMO C[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000352024309 274291423 /nfs/dbraw/zinc/29/14/23/274291423.db2.gz FPPIMRAYPMDRHW-NXEZZACHSA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000352024309 274291425 /nfs/dbraw/zinc/29/14/25/274291425.db2.gz FPPIMRAYPMDRHW-NXEZZACHSA-N 1 1 284.306 3.493 20 5 CGBDMO COCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000487961170 288115985 /nfs/dbraw/zinc/11/59/85/288115985.db2.gz GOSCLJXUIPDJDU-ZFWWWQNUSA-N 1 1 292.379 3.232 20 5 CGBDMO CC[C@@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000156577017 280197772 /nfs/dbraw/zinc/19/77/72/280197772.db2.gz PXIVNDMNFXNQQC-IVMMDQJWSA-N 1 1 291.395 3.118 20 5 CGBDMO CC[C@@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000156577017 280197776 /nfs/dbraw/zinc/19/77/76/280197776.db2.gz PXIVNDMNFXNQQC-IVMMDQJWSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000441682092 290268007 /nfs/dbraw/zinc/26/80/07/290268007.db2.gz RKBSTJFNRDTMRN-MCIONIFRSA-N 1 1 290.363 3.014 20 5 CGBDMO Cc1cc[nH+]c(N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000182638725 327814433 /nfs/dbraw/zinc/81/44/33/327814433.db2.gz NKMLFXXPFWKJOU-LLVKDONJSA-N 1 1 257.293 3.471 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000566248186 322111647 /nfs/dbraw/zinc/11/16/47/322111647.db2.gz SLXBLDXCQGJADV-ZDUSSCGKSA-N 1 1 290.363 3.047 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000566248186 322111649 /nfs/dbraw/zinc/11/16/49/322111649.db2.gz SLXBLDXCQGJADV-ZDUSSCGKSA-N 1 1 290.363 3.047 20 5 CGBDMO CCC[C@@H](C)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000566848923 322140351 /nfs/dbraw/zinc/14/03/51/322140351.db2.gz YBZRKDBTALNKDN-GFCCVEGCSA-N 1 1 278.352 3.225 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@H]1C ZINC000571947140 322313228 /nfs/dbraw/zinc/31/32/28/322313228.db2.gz QCCPDKDPAMVLBV-GXTWGEPZSA-N 1 1 262.353 3.461 20 5 CGBDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000581278275 336035514 /nfs/dbraw/zinc/03/55/14/336035514.db2.gz PINQNDLOWLINOO-ZDUSSCGKSA-N 1 1 282.409 3.477 20 5 CGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000581856868 336151891 /nfs/dbraw/zinc/15/18/91/336151891.db2.gz TZOLZZUGCCXTRA-GFCCVEGCSA-N 1 1 295.383 3.136 20 5 CGBDMO Cc1cnc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000427831125 534658670 /nfs/dbraw/zinc/65/86/70/534658670.db2.gz ITHABBWEARFEMJ-NEPJUHHUSA-N 1 1 286.335 3.105 20 5 CGBDMO Cc1cncc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000184396520 526216792 /nfs/dbraw/zinc/21/67/92/526216792.db2.gz JVEYDXYHGRKTTN-LBPRGKRZSA-N 1 1 271.320 3.149 20 5 CGBDMO Cc1occc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774469 526823595 /nfs/dbraw/zinc/82/35/95/526823595.db2.gz GDRPMQROGHTBEG-UHFFFAOYSA-N 1 1 278.283 3.267 20 5 CGBDMO Cc1occc1C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774469 526823603 /nfs/dbraw/zinc/82/36/03/526823603.db2.gz GDRPMQROGHTBEG-UHFFFAOYSA-N 1 1 278.283 3.267 20 5 CGBDMO CC1=CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000436269076 528102838 /nfs/dbraw/zinc/10/28/38/528102838.db2.gz WOTDZFORIJTSHO-UHFFFAOYSA-N 1 1 266.728 3.400 20 5 CGBDMO CC1=CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000436269076 528102839 /nfs/dbraw/zinc/10/28/39/528102839.db2.gz WOTDZFORIJTSHO-UHFFFAOYSA-N 1 1 266.728 3.400 20 5 CGBDMO Cc1cccc2c1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000729476710 571920625 /nfs/dbraw/zinc/92/06/25/571920625.db2.gz CTFVDKUZSFLHLM-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO Cc1cccc2c1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000729476710 571920627 /nfs/dbraw/zinc/92/06/27/571920627.db2.gz CTFVDKUZSFLHLM-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO C[C@H]([N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21)C1(C)CC1 ZINC000176829162 618742276 /nfs/dbraw/zinc/74/22/76/618742276.db2.gz NBQJJIDXQPGPCZ-NSHDSACASA-N 1 1 288.351 3.022 20 5 CGBDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)nc1 ZINC000180414618 618877755 /nfs/dbraw/zinc/87/77/55/618877755.db2.gz XUVHCGGVYOZFKQ-JTQLQIEISA-N 1 1 291.738 3.494 20 5 CGBDMO C[N@@H+](Cc1cc(-c2ccc([N+](=O)[O-])o2)no1)C(C)(C)C ZINC000901398749 620875195 /nfs/dbraw/zinc/87/51/95/620875195.db2.gz IIRGAERASITBOF-UHFFFAOYSA-N 1 1 279.296 3.073 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC(C)C ZINC000094774257 623460898 /nfs/dbraw/zinc/46/08/98/623460898.db2.gz SWDYDAKLKUKAQY-UHFFFAOYSA-N 1 1 254.305 3.212 20 5 CGBDMO CC[C@@H]1CCCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154350443 624257994 /nfs/dbraw/zinc/25/79/94/624257994.db2.gz PDYJCKBHUJYINK-ZBFHGGJFSA-N 1 1 292.379 3.283 20 5 CGBDMO CC[C@H]1CCC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764972661 627234751 /nfs/dbraw/zinc/23/47/51/627234751.db2.gz OKBFRMIPUNNQAC-LBPRGKRZSA-N 1 1 288.351 3.085 20 5 CGBDMO CCCCC[C@@H]1CCC[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000767765003 627435700 /nfs/dbraw/zinc/43/57/00/627435700.db2.gz ZMQHRNZAKMFLPC-CQSZACIVSA-N 1 1 294.399 3.410 20 5 CGBDMO CC[C@@H]1CCCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585572 628221069 /nfs/dbraw/zinc/22/10/69/628221069.db2.gz XBQXAFTXLLFKNO-GDBMZVCRSA-N 1 1 292.379 3.283 20 5 CGBDMO Cc1nn(C[N@@H+]2CCCC[C@H]2CCC(C)C)cc1[N+](=O)[O-] ZINC000779866902 628438875 /nfs/dbraw/zinc/43/88/75/628438875.db2.gz MIZYEOYAXSQLRS-AWEZNQCLSA-N 1 1 294.399 3.348 20 5 CGBDMO O=[N+]([O-])CC[N@H+]1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000791051606 629253125 /nfs/dbraw/zinc/25/31/25/629253125.db2.gz GMMIBUNWAJITTH-SIFUEBAJSA-N 1 1 274.364 3.221 20 5 CGBDMO CC[C@H]([NH2+]Cc1cccnc1F)c1cccc([N+](=O)[O-])c1 ZINC000794836448 629585061 /nfs/dbraw/zinc/58/50/61/629585061.db2.gz PHUQFPBCVRZWCV-AWEZNQCLSA-N 1 1 289.310 3.370 20 5 CGBDMO CC[C@@H]1CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000795650628 629705238 /nfs/dbraw/zinc/70/52/38/629705238.db2.gz UQIOUKWGWYANIY-SNVBAGLBSA-N 1 1 254.717 3.233 20 5 CGBDMO CC[C@@H]1CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000795650628 629705245 /nfs/dbraw/zinc/70/52/45/629705245.db2.gz UQIOUKWGWYANIY-SNVBAGLBSA-N 1 1 254.717 3.233 20 5 CGBDMO CSCCC[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000798964734 630130472 /nfs/dbraw/zinc/13/04/72/630130472.db2.gz UGDNUMMNSQYGJQ-UHFFFAOYSA-N 1 1 288.800 3.433 20 5 CGBDMO C[C@@H]([NH2+]CCOCC1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062933 633984852 /nfs/dbraw/zinc/98/48/52/633984852.db2.gz QTXBPMACRBLORW-LLVKDONJSA-N 1 1 296.342 3.201 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C[C@H]1CCCOC1 ZINC000876696775 634882909 /nfs/dbraw/zinc/88/29/09/634882909.db2.gz XTOOORPBXWYLKT-CQSZACIVSA-N 1 1 292.379 3.070 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000877565576 635094555 /nfs/dbraw/zinc/09/45/55/635094555.db2.gz KCZODJFQEQLVAK-LRDDRELGSA-N 1 1 292.379 3.068 20 5 CGBDMO Cc1nnsc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000930208558 635148678 /nfs/dbraw/zinc/14/86/78/635148678.db2.gz SJVHLBXGARTCFJ-RKDXNWHRSA-N 1 1 292.364 3.167 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844459827 635908695 /nfs/dbraw/zinc/90/86/95/635908695.db2.gz VBKVFOQKOCAEFU-WQAKAFBOSA-N 1 1 282.290 3.161 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CF)C1 ZINC000880293243 635965995 /nfs/dbraw/zinc/96/59/95/635965995.db2.gz GESSQPBZQIMLAW-LBPRGKRZSA-N 1 1 296.342 3.173 20 5 CGBDMO C[N@@H+](CCCCc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000885959239 637332773 /nfs/dbraw/zinc/33/27/73/637332773.db2.gz VZMPXMSYGGMVBZ-UHFFFAOYSA-N 1 1 299.374 3.445 20 5 CGBDMO C[C@H]1CC[C@]2(CC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886122466 637424495 /nfs/dbraw/zinc/42/44/95/637424495.db2.gz BJOJBKNJAMLORM-WFASDCNBSA-N 1 1 275.352 3.002 20 5 CGBDMO Cc1cccc(C[N@H+](C)Cc2cccnc2[N+](=O)[O-])c1C ZINC000886215999 637462145 /nfs/dbraw/zinc/46/21/45/637462145.db2.gz UXRLESYRNSAAHH-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO Cc1cccc(C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])c1C ZINC000886215999 637462146 /nfs/dbraw/zinc/46/21/46/637462146.db2.gz UXRLESYRNSAAHH-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000886348752 637507760 /nfs/dbraw/zinc/50/77/60/637507760.db2.gz RZRJKZPJBCBLCV-DTORHVGOSA-N 1 1 286.253 3.065 20 5 CGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000886348752 637507768 /nfs/dbraw/zinc/50/77/68/637507768.db2.gz RZRJKZPJBCBLCV-DTORHVGOSA-N 1 1 286.253 3.065 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCCF ZINC000887141528 637759801 /nfs/dbraw/zinc/75/98/01/637759801.db2.gz XVYRJBIHWULUHA-LLVKDONJSA-N 1 1 254.305 3.256 20 5 CGBDMO C[C@H]1CSCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000934296627 639573956 /nfs/dbraw/zinc/57/39/56/639573956.db2.gz MJZFVMPAQWLSAO-JTQLQIEISA-N 1 1 284.356 3.061 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000247468247 640722957 /nfs/dbraw/zinc/72/29/57/640722957.db2.gz IYTVHYPNUMZHBU-BXUZGUMPSA-N 1 1 278.327 3.498 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCCC1 ZINC000094774158 640802075 /nfs/dbraw/zinc/80/20/75/640802075.db2.gz QRWRQSMGWSBFEB-UHFFFAOYSA-N 1 1 266.316 3.498 20 5 CGBDMO CN(C)c1ccc2[nH]c(Cc3ccc([N+](=O)[O-])cc3)[nH+]c2c1 ZINC001250607374 805720677 /nfs/dbraw/zinc/72/06/77/805720677.db2.gz YLOXYXWJPNOURJ-UHFFFAOYSA-N 1 1 296.330 3.128 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC1(F)F ZINC001254542383 806446868 /nfs/dbraw/zinc/44/68/68/806446868.db2.gz MSXNOAYDJCYSLE-GWCFXTLKSA-N 1 1 284.306 3.303 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+](Cc1ccco1)C1CC1)C2 ZINC001254608066 806459946 /nfs/dbraw/zinc/45/99/46/806459946.db2.gz OVEARGOLHQDAEI-INIZCTEOSA-N 1 1 298.342 3.320 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCCC3(CCC3)C1)C2 ZINC001254610597 806461368 /nfs/dbraw/zinc/46/13/68/806461368.db2.gz LLPDRGJFBSQYRU-MRXNPFEDSA-N 1 1 286.375 3.328 20 5 CGBDMO CCC[N@@H+](CC(C)C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254610020 806461488 /nfs/dbraw/zinc/46/14/88/806461488.db2.gz HQYKNFQHEXMXGB-INIZCTEOSA-N 1 1 276.380 3.430 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CCF)C2)cc1F ZINC000701925153 799897618 /nfs/dbraw/zinc/89/76/18/799897618.db2.gz PJFPEBAXMIGHBI-NSHDSACASA-N 1 1 284.306 3.306 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC001163618710 806793300 /nfs/dbraw/zinc/79/33/00/806793300.db2.gz VJDWYXWTSDZGPU-UKRRQHHQSA-N 1 1 289.379 3.332 20 5 CGBDMO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccns1 ZINC000715974789 800157152 /nfs/dbraw/zinc/15/71/52/800157152.db2.gz FLTDCEOOERJIED-QMMMGPOBSA-N 1 1 281.312 3.041 20 5 CGBDMO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)CC[N@H+]1C ZINC000719597933 800244435 /nfs/dbraw/zinc/24/44/35/800244435.db2.gz GBLVTHHFBLTRDO-LDYMZIIASA-N 1 1 285.294 3.037 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001165279843 806985874 /nfs/dbraw/zinc/98/58/74/806985874.db2.gz ZSJYTIOQICTXRR-ZDUSSCGKSA-N 1 1 277.368 3.047 20 5 CGBDMO COc1ccc(Nc2c(C)cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC001248461354 804936233 /nfs/dbraw/zinc/93/62/33/804936233.db2.gz YJFBWONOBUIIEH-UHFFFAOYSA-N 1 1 273.292 3.359 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC001168202444 807348137 /nfs/dbraw/zinc/34/81/37/807348137.db2.gz USCWYSWAZXYDDZ-WDEREUQCSA-N 1 1 266.316 3.212 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001168309383 807378118 /nfs/dbraw/zinc/37/81/18/807378118.db2.gz LSIYEZVWSOUMAN-JLLWLGSASA-N 1 1 282.290 3.243 20 5 CGBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169007452 807551665 /nfs/dbraw/zinc/55/16/65/807551665.db2.gz NWCILOGBMVJJHI-VNHYZAJKSA-N 1 1 274.364 3.051 20 5 CGBDMO CCC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169021867 807554820 /nfs/dbraw/zinc/55/48/20/807554820.db2.gz APBSEVUOLXUZJL-JKSUJKDBSA-N 1 1 276.380 3.344 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]2c2cccs2)C1 ZINC001169030315 807555744 /nfs/dbraw/zinc/55/57/44/807555744.db2.gz YQSAIRRDAMUIFE-AGIUHOORSA-N 1 1 280.393 3.330 20 5 CGBDMO Cc1ccc(C[N@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1C ZINC001169040951 807556868 /nfs/dbraw/zinc/55/68/68/807556868.db2.gz AFMGWADEWFDUBZ-HZPDHXFCSA-N 1 1 276.380 3.181 20 5 CGBDMO CCC[N@@H+](CC)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170330328 807826586 /nfs/dbraw/zinc/82/65/86/807826586.db2.gz ZDWOWVAXPGXXGP-GFCCVEGCSA-N 1 1 280.368 3.266 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)C[C@H]1CF ZINC001173220973 808539892 /nfs/dbraw/zinc/53/98/92/808539892.db2.gz DULKWWSSDAWTHR-HUBLWGQQSA-N 1 1 280.343 3.206 20 5 CGBDMO CC[N@@H+](C(C)C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173224299 808541415 /nfs/dbraw/zinc/54/14/15/808541415.db2.gz DKPVNOCQTXDSGO-LBPRGKRZSA-N 1 1 250.342 3.256 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCn2cccc2[C@H]1C ZINC001173233746 808542341 /nfs/dbraw/zinc/54/23/41/808542341.db2.gz MYJGUGQFANKTKT-ZIAGYGMSSA-N 1 1 299.374 3.404 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCn2cccc2[C@H]1C ZINC001173233746 808542350 /nfs/dbraw/zinc/54/23/50/808542350.db2.gz MYJGUGQFANKTKT-ZIAGYGMSSA-N 1 1 299.374 3.404 20 5 CGBDMO CC(C)[N@H+]1CC[C@H](O[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001224027442 816723197 /nfs/dbraw/zinc/72/31/97/816723197.db2.gz VIWAJNYKVUXYDC-DOMZBBRYSA-N 1 1 278.352 3.155 20 5 CGBDMO C[N@H+]1CCC[C@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001226445473 817358389 /nfs/dbraw/zinc/35/83/89/817358389.db2.gz DKTCKSLDJCZHBS-ZDUSSCGKSA-N 1 1 292.379 3.365 20 5 CGBDMO C[N@H+]1CC[C@H](Oc2nc3ccccc3c3ccccc32)C1 ZINC001226993858 817528498 /nfs/dbraw/zinc/52/84/98/817528498.db2.gz ZKXYCJHSWBCKCJ-ZDUSSCGKSA-N 1 1 278.355 3.471 20 5 CGBDMO C[N@H+]1CC[C@H](Oc2cccc3ccc4cccnc4c32)C1 ZINC001227765492 817717015 /nfs/dbraw/zinc/71/70/15/817717015.db2.gz WULLRWIADTZPNI-HNNXBMFYSA-N 1 1 278.355 3.471 20 5 CGBDMO Cc1cc(C)c(O[C@H]2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001228228857 817844605 /nfs/dbraw/zinc/84/46/05/817844605.db2.gz CHANZNRYOINJRM-ZDUSSCGKSA-N 1 1 278.352 3.075 20 5 CGBDMO C[C@@H]1CC[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232217888 818283193 /nfs/dbraw/zinc/28/31/93/818283193.db2.gz BFJONXGEIUSOAI-GFCCVEGCSA-N 1 1 263.344 3.377 20 5 CGBDMO CC[N@@H+](CCOC)Cc1ccc2ccc3cccnc3c2n1 ZINC001232219444 818283398 /nfs/dbraw/zinc/28/33/98/818283398.db2.gz REVAKGHBIMQCRH-UHFFFAOYSA-N 1 1 295.386 3.251 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCC(C)(C)C2)c1 ZINC001458698510 937472660 /nfs/dbraw/zinc/47/26/60/937472660.db2.gz OWZRZTZTSRUWDD-UHFFFAOYSA-N 1 1 277.368 3.047 20 5 CGBDMO CC[N@H+]1CCC[C@@H](Oc2cc(C)c([N+](=O)[O-])c(C)c2)C1 ZINC001229469310 932155705 /nfs/dbraw/zinc/15/57/05/932155705.db2.gz GWXVYKAETNMCMM-CYBMUJFWSA-N 1 1 278.352 3.075 20 5 CGBDMO CC[N@H+]1CC[C@H](Oc2ccc3ccccc3c2[N+](=O)[O-])C1 ZINC001230622076 932600103 /nfs/dbraw/zinc/60/01/03/932600103.db2.gz GPDDNSOVAGXXBD-ZDUSSCGKSA-N 1 1 286.331 3.221 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC001308592476 933137908 /nfs/dbraw/zinc/13/79/08/933137908.db2.gz KTZZZYSXZWESFW-LBPRGKRZSA-N 1 1 292.379 3.211 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC001308592476 933137910 /nfs/dbraw/zinc/13/79/10/933137910.db2.gz KTZZZYSXZWESFW-LBPRGKRZSA-N 1 1 292.379 3.211 20 5 CGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC001473583350 937812791 /nfs/dbraw/zinc/81/27/91/937812791.db2.gz AMKMUQCRSCOVQB-KBPBESRZSA-N 1 1 290.363 3.238 20 5 CGBDMO CSC(C)(C)CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331706101 935404688 /nfs/dbraw/zinc/40/46/88/935404688.db2.gz GLZZZIYSBZJVJS-UHFFFAOYSA-N 1 1 280.393 3.442 20 5 CGBDMO CSC(C)(C)CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331706101 935404691 /nfs/dbraw/zinc/40/46/91/935404691.db2.gz GLZZZIYSBZJVJS-UHFFFAOYSA-N 1 1 280.393 3.442 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC001473743396 937820171 /nfs/dbraw/zinc/82/01/71/937820171.db2.gz SBWBHHJIEMEJIM-AWEZNQCLSA-N 1 1 289.379 3.392 20 5 CGBDMO Cc1cccnc1[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001473880073 937827375 /nfs/dbraw/zinc/82/73/75/937827375.db2.gz QUWHZBDZMZAILB-GFCCVEGCSA-N 1 1 271.320 3.149 20 5 CGBDMO Cc1[nH+]ccn1CCNc1c(C)cc([N+](=O)[O-])cc1Cl ZINC001515955506 938007988 /nfs/dbraw/zinc/00/79/88/938007988.db2.gz FXNXXBRNUUIYRP-UHFFFAOYSA-N 1 1 294.742 3.174 20 5 CGBDMO CC[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1C ZINC001559769771 938235379 /nfs/dbraw/zinc/23/53/79/938235379.db2.gz SGSDWOQDCREPTE-MNOVXSKESA-N 1 1 266.316 3.354 20 5 CGBDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000160128779 529690384 /nfs/dbraw/zinc/69/03/84/529690384.db2.gz OXDJPPPYSQBTPX-BBRMVZONSA-N 1 1 293.411 3.366 20 5 CGBDMO CC[C@H](C)N(C)CC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000160128779 529690387 /nfs/dbraw/zinc/69/03/87/529690387.db2.gz OXDJPPPYSQBTPX-BBRMVZONSA-N 1 1 293.411 3.366 20 5 CGBDMO CC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000727833696 571772310 /nfs/dbraw/zinc/77/23/10/571772310.db2.gz YOYLLIMXGDQWQO-GFCCVEGCSA-N 1 1 252.289 3.108 20 5 CGBDMO Cc1c([C@@H](C)[NH2+]Cc2nccs2)cccc1[N+](=O)[O-] ZINC000128172130 187355583 /nfs/dbraw/zinc/35/55/83/187355583.db2.gz DMUMJRCZFMTDAQ-SNVBAGLBSA-N 1 1 277.349 3.211 20 5 CGBDMO CCC[N@H+](Cc1csc([N+](=O)[O-])c1)CC1CC1 ZINC000056491181 345164869 /nfs/dbraw/zinc/16/48/69/345164869.db2.gz FZFZJABJVAGHTJ-UHFFFAOYSA-N 1 1 254.355 3.278 20 5 CGBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000065299115 345271177 /nfs/dbraw/zinc/27/11/77/345271177.db2.gz SUHFAVPNTNRDMC-CYBMUJFWSA-N 1 1 280.368 3.340 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC2(C1)CCOCC2 ZINC000076177834 345537252 /nfs/dbraw/zinc/53/72/52/345537252.db2.gz WJRSFEXBIKGUET-ZDUSSCGKSA-N 1 1 290.363 3.158 20 5 CGBDMO Cc1ccc(C[N@H+](C)CCC(F)(F)F)cc1[N+](=O)[O-] ZINC000092478520 345842309 /nfs/dbraw/zinc/84/23/09/345842309.db2.gz BDKAYNUMVLOBJO-UHFFFAOYSA-N 1 1 276.258 3.287 20 5 CGBDMO Cc1ccc(C[N@@H+](C)CCC(F)(F)F)cc1[N+](=O)[O-] ZINC000092478520 345842313 /nfs/dbraw/zinc/84/23/13/345842313.db2.gz BDKAYNUMVLOBJO-UHFFFAOYSA-N 1 1 276.258 3.287 20 5 CGBDMO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000092332078 345835980 /nfs/dbraw/zinc/83/59/80/345835980.db2.gz UPVQOIUCLIPOJK-JTQLQIEISA-N 1 1 289.335 3.359 20 5 CGBDMO COC1CCC([N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000093414937 345877422 /nfs/dbraw/zinc/87/74/22/345877422.db2.gz YOXVIVROPOGOAR-UHFFFAOYSA-N 1 1 292.379 3.293 20 5 CGBDMO CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595386758 347297724 /nfs/dbraw/zinc/29/77/24/347297724.db2.gz RJMROGYQPCEVNU-PWSUYJOCSA-N 1 1 281.356 3.292 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595616417 347328622 /nfs/dbraw/zinc/32/86/22/347328622.db2.gz BUVRCKGZFHSSMA-WBMJQRKESA-N 1 1 290.363 3.157 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595616417 347328623 /nfs/dbraw/zinc/32/86/23/347328623.db2.gz BUVRCKGZFHSSMA-WBMJQRKESA-N 1 1 290.363 3.157 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](CCF)C2)cs1 ZINC000595754370 347350650 /nfs/dbraw/zinc/35/06/50/347350650.db2.gz AKUDWCLYQAOSKP-JTQLQIEISA-N 1 1 272.345 3.228 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](CCF)C2)cs1 ZINC000595754370 347350654 /nfs/dbraw/zinc/35/06/54/347350654.db2.gz AKUDWCLYQAOSKP-JTQLQIEISA-N 1 1 272.345 3.228 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000595756702 347351974 /nfs/dbraw/zinc/35/19/74/347351974.db2.gz VUXZALOMHZKVQF-NSHDSACASA-N 1 1 284.306 3.306 20 5 CGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595440743 347303894 /nfs/dbraw/zinc/30/38/94/347303894.db2.gz GTBIEDRJKVXHSW-ZWNOBZJWSA-N 1 1 266.316 3.354 20 5 CGBDMO CCC(O)(CC)C[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000599673432 347763973 /nfs/dbraw/zinc/76/39/73/347763973.db2.gz OALJWMMGQPPOLW-LBPRGKRZSA-N 1 1 280.368 3.139 20 5 CGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)o1 ZINC000600192808 347791622 /nfs/dbraw/zinc/79/16/22/347791622.db2.gz SSEVIRYZCRFJBC-TXEJJXNPSA-N 1 1 284.315 3.307 20 5 CGBDMO COC[C@]1(C)CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000295146905 199371958 /nfs/dbraw/zinc/37/19/58/199371958.db2.gz QPBKQRKAJONCOZ-CQSZACIVSA-N 1 1 298.770 3.107 20 5 CGBDMO C[C@@H]1CCCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601125397 347872025 /nfs/dbraw/zinc/87/20/25/347872025.db2.gz QEAJMOFEEJOUCO-SNVBAGLBSA-N 1 1 257.293 3.132 20 5 CGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCC3CC(F)(F)C3)c2c1 ZINC000601168377 347877343 /nfs/dbraw/zinc/87/73/43/347877343.db2.gz VHHKYNBESVEKLX-UHFFFAOYSA-N 1 1 293.273 3.022 20 5 CGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC=CCC1 ZINC000602587028 347989716 /nfs/dbraw/zinc/98/97/16/347989716.db2.gz DIJRPVOMESJEQL-UHFFFAOYSA-N 1 1 286.253 3.376 20 5 CGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC=CCC1 ZINC000602587028 347989718 /nfs/dbraw/zinc/98/97/18/347989718.db2.gz DIJRPVOMESJEQL-UHFFFAOYSA-N 1 1 286.253 3.376 20 5 CGBDMO C[C@H](CNc1ccsc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000604433519 348120182 /nfs/dbraw/zinc/12/01/82/348120182.db2.gz TYHAPJAHODACAI-WDEREUQCSA-N 1 1 283.397 3.189 20 5 CGBDMO CCCc1[nH+]ccn1Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000351919103 219247508 /nfs/dbraw/zinc/24/75/08/219247508.db2.gz MHLSTONJGDIAGW-UHFFFAOYSA-N 1 1 289.335 3.191 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501610 348457064 /nfs/dbraw/zinc/45/70/64/348457064.db2.gz FRARXQZCITUGFB-NQBHXWOUSA-N 1 1 266.316 3.336 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501610 348457066 /nfs/dbraw/zinc/45/70/66/348457066.db2.gz FRARXQZCITUGFB-NQBHXWOUSA-N 1 1 266.316 3.336 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000351978766 219272210 /nfs/dbraw/zinc/27/22/10/219272210.db2.gz ZOAMMHCYMHNMHW-GFCCVEGCSA-N 1 1 278.352 3.225 20 5 CGBDMO CC1(C)CCC[N@@H+](CCNc2sccc2[N+](=O)[O-])C1 ZINC000618175373 349057121 /nfs/dbraw/zinc/05/71/21/349057121.db2.gz YGCWEIQDBFRNOZ-UHFFFAOYSA-N 1 1 283.397 3.190 20 5 CGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ccsc1[N+](=O)[O-] ZINC000619158227 349214871 /nfs/dbraw/zinc/21/48/71/349214871.db2.gz FGAGVUKGXBHDRU-LLVKDONJSA-N 1 1 283.397 3.189 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC(C(C)C)C1 ZINC000619431186 349249775 /nfs/dbraw/zinc/24/97/75/349249775.db2.gz XPHHQDSIXSOGAI-UHFFFAOYSA-N 1 1 278.352 3.081 20 5 CGBDMO CCCC[N@@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000461942948 535226056 /nfs/dbraw/zinc/22/60/56/535226056.db2.gz DWKZSJZMARQIIR-UHFFFAOYSA-N 1 1 283.347 3.186 20 5 CGBDMO CCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000514173671 535226242 /nfs/dbraw/zinc/22/62/42/535226242.db2.gz XNWNEWUTEMSSCX-UHFFFAOYSA-N 1 1 265.357 3.047 20 5 CGBDMO Cc1cc(NCCCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000413347550 235270752 /nfs/dbraw/zinc/27/07/52/235270752.db2.gz LLTKDNLYWMCEFB-UHFFFAOYSA-N 1 1 277.368 3.190 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426475637 236298111 /nfs/dbraw/zinc/29/81/11/236298111.db2.gz YSAIHKBBWATIDZ-GXFFZTMASA-N 1 1 264.300 3.108 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[NH+]1CC(COc2ccccc2)C1 ZINC000297394229 200175206 /nfs/dbraw/zinc/17/52/06/200175206.db2.gz KUYHVCROPOBIPL-UHFFFAOYSA-N 1 1 298.342 3.106 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000341955863 216166903 /nfs/dbraw/zinc/16/69/03/216166903.db2.gz AFXXEGSFZQPTAP-AWEZNQCLSA-N 1 1 296.754 3.003 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@]12CCOC2 ZINC000341955863 216166905 /nfs/dbraw/zinc/16/69/05/216166905.db2.gz AFXXEGSFZQPTAP-AWEZNQCLSA-N 1 1 296.754 3.003 20 5 CGBDMO C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000301414337 201000271 /nfs/dbraw/zinc/00/02/71/201000271.db2.gz LKKXHRTWXKVHFM-GHMZBOCLSA-N 1 1 297.786 3.167 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@](C)(F)C1 ZINC000449348496 239336293 /nfs/dbraw/zinc/33/62/93/239336293.db2.gz GVOYIGDYNDAMNO-AWEZNQCLSA-N 1 1 266.316 3.227 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@](C)(F)C1 ZINC000449348496 239336298 /nfs/dbraw/zinc/33/62/98/239336298.db2.gz GVOYIGDYNDAMNO-AWEZNQCLSA-N 1 1 266.316 3.227 20 5 CGBDMO COc1ccc(C[N@H+]2[C@H](C)CCC2(C)C)cc1[N+](=O)[O-] ZINC000452003983 240392530 /nfs/dbraw/zinc/39/25/30/240392530.db2.gz GZTNFOWKDGNCSL-LLVKDONJSA-N 1 1 278.352 3.366 20 5 CGBDMO COCC1(C)C[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000459618045 242149034 /nfs/dbraw/zinc/14/90/34/242149034.db2.gz AVIYPLFJCZGDSU-UHFFFAOYSA-N 1 1 292.379 3.187 20 5 CGBDMO CCOC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000459719019 242192621 /nfs/dbraw/zinc/19/26/21/242192621.db2.gz RPEZSFMFWDWOCJ-LBPRGKRZSA-N 1 1 296.342 3.125 20 5 CGBDMO CCOC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000459719019 242192626 /nfs/dbraw/zinc/19/26/26/242192626.db2.gz RPEZSFMFWDWOCJ-LBPRGKRZSA-N 1 1 296.342 3.125 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]2Cc2ccccc2)cc1 ZINC000479116837 243094769 /nfs/dbraw/zinc/09/47/69/243094769.db2.gz SUQAPLIOQNAISI-GOSISDBHSA-N 1 1 296.370 3.454 20 5 CGBDMO CC[C@@H]([NH2+]Cc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000041012446 369168726 /nfs/dbraw/zinc/16/87/26/369168726.db2.gz OFSMBVLTCPPXMC-GFCCVEGCSA-N 1 1 277.349 3.292 20 5 CGBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493237813 244124863 /nfs/dbraw/zinc/12/48/63/244124863.db2.gz NQWPGWXIRFSHOX-UWVGGRQHSA-N 1 1 268.744 3.479 20 5 CGBDMO C[N@@H+](CCc1cccs1)Cc1csc([N+](=O)[O-])c1 ZINC000075966359 369923962 /nfs/dbraw/zinc/92/39/62/369923962.db2.gz UQJGPIVAPXOIJO-UHFFFAOYSA-N 1 1 282.390 3.392 20 5 CGBDMO Cc1ccc([C@H](C)NC[C@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000130915614 371070139 /nfs/dbraw/zinc/07/01/39/371070139.db2.gz RBONBRARLVZGBG-STQMWFEESA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1ccc([C@H](C)NC[C@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000130915614 371070144 /nfs/dbraw/zinc/07/01/44/371070144.db2.gz RBONBRARLVZGBG-STQMWFEESA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1ccoc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135152816 371395592 /nfs/dbraw/zinc/39/55/92/371395592.db2.gz LRLCQKPHNYKBPX-LLVKDONJSA-N 1 1 260.293 3.347 20 5 CGBDMO CCC[N@@H+](CC)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000156797184 371994903 /nfs/dbraw/zinc/99/49/03/371994903.db2.gz HSJZHARRABDVAY-AWEZNQCLSA-N 1 1 293.411 3.286 20 5 CGBDMO CCCN(CC)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000156797184 371994908 /nfs/dbraw/zinc/99/49/08/371994908.db2.gz HSJZHARRABDVAY-AWEZNQCLSA-N 1 1 293.411 3.286 20 5 CGBDMO CCCC[C@H](CN)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423294695 372047961 /nfs/dbraw/zinc/04/79/61/372047961.db2.gz CSTDHIVGUAZQHD-CHWSQXEVSA-N 1 1 279.384 3.071 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000433807217 372633239 /nfs/dbraw/zinc/63/32/39/372633239.db2.gz DQNAJIRAEQZOSX-AWEZNQCLSA-N 1 1 289.379 3.332 20 5 CGBDMO CC(C)c1ccc(C[N@@H+](C)CCCCCO)cc1[N+](=O)[O-] ZINC000435053564 372730424 /nfs/dbraw/zinc/73/04/24/372730424.db2.gz SHTQOMVXELGWDF-UHFFFAOYSA-N 1 1 294.395 3.313 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000173814376 373196053 /nfs/dbraw/zinc/19/60/53/373196053.db2.gz YFBODCKEOBNTQX-OCCSQVGLSA-N 1 1 260.337 3.359 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444588911 373202732 /nfs/dbraw/zinc/20/27/32/373202732.db2.gz HHYIZVCMTBZNLC-JTQLQIEISA-N 1 1 276.340 3.092 20 5 CGBDMO Cc1c(C[N@@H+]2CC[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000446737633 373355074 /nfs/dbraw/zinc/35/50/74/373355074.db2.gz XYKHHHVKIQKAEF-ZDUSSCGKSA-N 1 1 262.353 3.381 20 5 CGBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000311794771 374257825 /nfs/dbraw/zinc/25/78/25/374257825.db2.gz YXRHNQIYBJGOAS-LBPRGKRZSA-N 1 1 284.356 3.061 20 5 CGBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000311794771 374257832 /nfs/dbraw/zinc/25/78/32/374257832.db2.gz YXRHNQIYBJGOAS-LBPRGKRZSA-N 1 1 284.356 3.061 20 5 CGBDMO CC[C@@H](N[C@@H](C)C[N@@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000314870290 374322813 /nfs/dbraw/zinc/32/28/13/374322813.db2.gz FUSARQDZHLZTDV-XJKSGUPXSA-N 1 1 293.411 3.364 20 5 CGBDMO CC[C@@H]([NH2+][C@@H](C)CN(C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000314870290 374322816 /nfs/dbraw/zinc/32/28/16/374322816.db2.gz FUSARQDZHLZTDV-XJKSGUPXSA-N 1 1 293.411 3.364 20 5 CGBDMO CCCC[N@@H+](CC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184226723 374505689 /nfs/dbraw/zinc/50/56/89/374505689.db2.gz YFVJAYIFIJHAMN-UHFFFAOYSA-N 1 1 284.331 3.365 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000464841231 374907245 /nfs/dbraw/zinc/90/72/45/374907245.db2.gz CDVIQRSZVKVHNQ-BETUJISGSA-N 1 1 292.379 3.470 20 5 CGBDMO C[C@@H]1C[C@H](C)[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000537616555 376180073 /nfs/dbraw/zinc/18/00/73/376180073.db2.gz FNUJQOYLTVDTHM-XHSUHYBKSA-N 1 1 260.337 3.338 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000541769107 376479174 /nfs/dbraw/zinc/47/91/74/376479174.db2.gz XHTGATTWYPNMKW-TXEJJXNPSA-N 1 1 262.353 3.381 20 5 CGBDMO CC[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H](C)O1 ZINC000245513717 376840378 /nfs/dbraw/zinc/84/03/78/376840378.db2.gz ASOLXQKOEZSJFE-GZBFAFLISA-N 1 1 292.379 3.464 20 5 CGBDMO CC[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H](C)O1 ZINC000245513717 376840385 /nfs/dbraw/zinc/84/03/85/376840385.db2.gz ASOLXQKOEZSJFE-GZBFAFLISA-N 1 1 292.379 3.464 20 5 CGBDMO CC[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000247559473 377224197 /nfs/dbraw/zinc/22/41/97/377224197.db2.gz QPPOPXVEDSFSQW-BXUZGUMPSA-N 1 1 280.393 3.483 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000573718930 377566586 /nfs/dbraw/zinc/56/65/86/377566586.db2.gz KYKYXSRTJRFSPT-OLZOCXBDSA-N 1 1 290.363 3.299 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000573718930 377566594 /nfs/dbraw/zinc/56/65/94/377566594.db2.gz KYKYXSRTJRFSPT-OLZOCXBDSA-N 1 1 290.363 3.299 20 5 CGBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000519037873 249291159 /nfs/dbraw/zinc/29/11/59/249291159.db2.gz TWTCHGCKKNNTFQ-UHFFFAOYSA-N 1 1 295.358 3.410 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342591041 377678185 /nfs/dbraw/zinc/67/81/85/377678185.db2.gz DFTISGQFBWNHSN-OLZOCXBDSA-N 1 1 278.352 3.157 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342595157 377680811 /nfs/dbraw/zinc/68/08/11/377680811.db2.gz HFDBVYGOOOEAMZ-DOMZBBRYSA-N 1 1 278.352 3.157 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000268340631 378053081 /nfs/dbraw/zinc/05/30/81/378053081.db2.gz PDOHRMZHNCBXJU-RWMBFGLXSA-N 1 1 260.337 3.388 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCCSC ZINC000343668282 378060026 /nfs/dbraw/zinc/06/00/26/378060026.db2.gz ALDFQCWSZSHEPP-UHFFFAOYSA-N 1 1 298.408 3.178 20 5 CGBDMO CC[C@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000343680741 378064705 /nfs/dbraw/zinc/06/47/05/378064705.db2.gz PXOLJRBSFGTZJY-KKTNHOPESA-N 1 1 290.363 3.109 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000272477219 378646449 /nfs/dbraw/zinc/64/64/49/378646449.db2.gz GEPBXJSBOUODIY-XNRPHZJLSA-N 1 1 292.379 3.139 20 5 CGBDMO Cc1nc(F)ccc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000278314144 379343934 /nfs/dbraw/zinc/34/39/34/379343934.db2.gz BAHJDDWJXXYQEZ-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000266946295 190292152 /nfs/dbraw/zinc/29/21/52/190292152.db2.gz YCCCYSOKZXOJAV-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000266946295 190292153 /nfs/dbraw/zinc/29/21/53/190292153.db2.gz YCCCYSOKZXOJAV-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2C2CCOCC2)cs1 ZINC000347669123 218315112 /nfs/dbraw/zinc/31/51/12/218315112.db2.gz WOWLAFWBVHSJJR-CYBMUJFWSA-N 1 1 296.392 3.047 20 5 CGBDMO CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1CCC1 ZINC000352404903 379800128 /nfs/dbraw/zinc/80/01/28/379800128.db2.gz FJLBRQFMWGXIJG-UHFFFAOYSA-N 1 1 284.306 3.495 20 5 CGBDMO CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1CCC1 ZINC000352404903 379800134 /nfs/dbraw/zinc/80/01/34/379800134.db2.gz FJLBRQFMWGXIJG-UHFFFAOYSA-N 1 1 284.306 3.495 20 5 CGBDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352780063 379956177 /nfs/dbraw/zinc/95/61/77/379956177.db2.gz RLAZUPIAYXVWIF-GFCCVEGCSA-N 1 1 298.408 3.177 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCOCC1CC1 ZINC000268053158 190372580 /nfs/dbraw/zinc/37/25/80/190372580.db2.gz WNMWDPGCRGPRAK-GFCCVEGCSA-N 1 1 278.352 3.014 20 5 CGBDMO CCC[N@@H+](CC)C[C@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000353123490 380127770 /nfs/dbraw/zinc/12/77/70/380127770.db2.gz QAPZLHAYNQLOAV-AWEZNQCLSA-N 1 1 293.411 3.113 20 5 CGBDMO CCCN(CC)C[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000353123490 380127777 /nfs/dbraw/zinc/12/77/77/380127777.db2.gz QAPZLHAYNQLOAV-AWEZNQCLSA-N 1 1 293.411 3.113 20 5 CGBDMO CC1(C)CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000353267202 380198228 /nfs/dbraw/zinc/19/82/28/380198228.db2.gz UMURIOOUXVQMLC-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO CC1(C)CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000353267202 380198231 /nfs/dbraw/zinc/19/82/31/380198231.db2.gz UMURIOOUXVQMLC-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000355132230 380590918 /nfs/dbraw/zinc/59/09/18/380590918.db2.gz JDVFKLLUDRKSOM-VXGBXAGGSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H](C)[C@H]1C ZINC000418112183 380702252 /nfs/dbraw/zinc/70/22/52/380702252.db2.gz BADDUBKDVKAPEF-UTLUCORTSA-N 1 1 254.355 3.133 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279319210 194382650 /nfs/dbraw/zinc/38/26/50/194382650.db2.gz NWGJAMXSCBEDNU-BFQNTYOBSA-N 1 1 290.363 3.155 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279319210 194382653 /nfs/dbraw/zinc/38/26/53/194382653.db2.gz NWGJAMXSCBEDNU-BFQNTYOBSA-N 1 1 290.363 3.155 20 5 CGBDMO Cc1cccc(NCCNc2c(C)cccc2[N+](=O)[O-])[nH+]1 ZINC000357482218 381176342 /nfs/dbraw/zinc/17/63/42/381176342.db2.gz HYRHZVRRQKKBEN-UHFFFAOYSA-N 1 1 286.335 3.131 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000359994203 381403054 /nfs/dbraw/zinc/40/30/54/381403054.db2.gz URTBEMHJZAASBZ-JTQLQIEISA-N 1 1 268.744 3.480 20 5 CGBDMO CCC[N@@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000289141928 197245053 /nfs/dbraw/zinc/24/50/53/197245053.db2.gz AJRJOLFSZGVJKA-UHFFFAOYSA-N 1 1 299.374 3.445 20 5 CGBDMO C[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000263725394 131316297 /nfs/dbraw/zinc/31/62/97/131316297.db2.gz DEYBHQNHZIHVFO-ZDUSSCGKSA-N 1 1 292.379 3.110 20 5 CGBDMO CCC[N@@H+](CCc1ccccn1)Cc1ccccc1[N+](=O)[O-] ZINC000289747410 392431406 /nfs/dbraw/zinc/43/14/06/392431406.db2.gz IXIZFRGNOMAZLH-UHFFFAOYSA-N 1 1 299.374 3.445 20 5 CGBDMO CO[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000374675183 392688100 /nfs/dbraw/zinc/68/81/00/392688100.db2.gz DYGGRHDREOQLNV-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@H]([NH2+][C@H](C)c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000183081505 392753246 /nfs/dbraw/zinc/75/32/46/392753246.db2.gz BOMVHWSUDBTEJW-RISCZKNCSA-N 1 1 288.351 3.130 20 5 CGBDMO CC[C@H]([NH2+][C@@H](C)c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000183081464 392753419 /nfs/dbraw/zinc/75/34/19/392753419.db2.gz BOMVHWSUDBTEJW-FZMZJTMJSA-N 1 1 288.351 3.130 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000522711323 392932027 /nfs/dbraw/zinc/93/20/27/392932027.db2.gz VMXDYEQQSMBHDX-CQSZACIVSA-N 1 1 292.379 3.486 20 5 CGBDMO C[C@H]1CCC[C@H](C)[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000525640068 392943032 /nfs/dbraw/zinc/94/30/32/392943032.db2.gz NXQDHPCRDZHERJ-KBPBESRZSA-N 1 1 292.379 3.484 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccc(O)cc2C1 ZINC000348540461 393124805 /nfs/dbraw/zinc/12/48/05/393124805.db2.gz WJEVWGXRQVMKLO-GFCCVEGCSA-N 1 1 298.342 3.420 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccc(O)cc2C1 ZINC000348540461 393124811 /nfs/dbraw/zinc/12/48/11/393124811.db2.gz WJEVWGXRQVMKLO-GFCCVEGCSA-N 1 1 298.342 3.420 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351872193 393196878 /nfs/dbraw/zinc/19/68/78/393196878.db2.gz CRVRRRDCPOPIND-DTORHVGOSA-N 1 1 270.279 3.246 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351872193 393196884 /nfs/dbraw/zinc/19/68/84/393196884.db2.gz CRVRRRDCPOPIND-DTORHVGOSA-N 1 1 270.279 3.246 20 5 CGBDMO C[C@H]1CCSCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000276862369 393302011 /nfs/dbraw/zinc/30/20/11/393302011.db2.gz XCXYULRUHVOAHH-JTQLQIEISA-N 1 1 284.356 3.061 20 5 CGBDMO COc1ccc(C[N@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000475151589 393378802 /nfs/dbraw/zinc/37/88/02/393378802.db2.gz QWSFYGCBQZPETJ-JHJVBQTASA-N 1 1 292.379 3.470 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CC[C@@H]([NH3+])C(C)C ZINC000420285549 393450607 /nfs/dbraw/zinc/45/06/07/393450607.db2.gz FBPVKKLLKLZDRL-XJKSGUPXSA-N 1 1 293.411 3.269 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430214533 393540889 /nfs/dbraw/zinc/54/08/89/393540889.db2.gz ZVEJSFKETSJWEC-WCQYABFASA-N 1 1 278.352 3.366 20 5 CGBDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000429578707 393485725 /nfs/dbraw/zinc/48/57/25/393485725.db2.gz JMUSTVUPNCAFHJ-QWRGUYRKSA-N 1 1 266.316 3.354 20 5 CGBDMO CCOc1cc(C[N@@H+](C)[C@@H](C)CC)ccc1[N+](=O)[O-] ZINC000492514856 393747215 /nfs/dbraw/zinc/74/72/15/393747215.db2.gz OHIZTIBXALPMAW-NSHDSACASA-N 1 1 266.341 3.224 20 5 CGBDMO CCOc1cc(C[N@@H+](C)[C@H](C)CC)ccc1[N+](=O)[O-] ZINC000492514855 393747443 /nfs/dbraw/zinc/74/74/43/393747443.db2.gz OHIZTIBXALPMAW-LLVKDONJSA-N 1 1 266.341 3.224 20 5 CGBDMO CCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000492565184 393754413 /nfs/dbraw/zinc/75/44/13/393754413.db2.gz WKDVJVSOXVUYBQ-UHFFFAOYSA-N 1 1 266.341 3.225 20 5 CGBDMO CCOc1cc(C[N@H+]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000492396248 393728202 /nfs/dbraw/zinc/72/82/02/393728202.db2.gz ILMDRYGMUWZQRV-UHFFFAOYSA-N 1 1 278.352 3.368 20 5 CGBDMO CC(C)C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000444588733 393789677 /nfs/dbraw/zinc/78/96/77/393789677.db2.gz GGUTYNDSYDMATH-UHFFFAOYSA-N 1 1 290.367 3.338 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccccc1[N+](=O)[O-] ZINC000500421739 393828170 /nfs/dbraw/zinc/82/81/70/393828170.db2.gz OMDRBWFCJQLIJZ-CYBMUJFWSA-N 1 1 277.368 3.271 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)cs1 ZINC000449531332 393885164 /nfs/dbraw/zinc/88/51/64/393885164.db2.gz BLZQGVYAGOVUBU-JSGCOSHPSA-N 1 1 278.377 3.277 20 5 CGBDMO C[C@H]1CCC(C)(C)[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000452016089 394049593 /nfs/dbraw/zinc/04/95/93/394049593.db2.gz WCTXYPDGUOIJFP-JTQLQIEISA-N 1 1 288.351 3.234 20 5 CGBDMO C[C@@H](c1ccco1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000069066465 165049882 /nfs/dbraw/zinc/04/98/82/165049882.db2.gz RODHEGJMFRMRLB-LBPRGKRZSA-N 1 1 274.320 3.423 20 5 CGBDMO CC(C)c1ccc(C[N@@H+](C)C[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000093840032 165340030 /nfs/dbraw/zinc/34/00/30/165340030.db2.gz PZEWPJCQLBAUMR-CQSZACIVSA-N 1 1 292.379 3.187 20 5 CGBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000119036133 287164072 /nfs/dbraw/zinc/16/40/72/287164072.db2.gz MYJRGYFFZWNFEQ-NSHDSACASA-N 1 1 298.770 3.107 20 5 CGBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000119036133 287164073 /nfs/dbraw/zinc/16/40/73/287164073.db2.gz MYJRGYFFZWNFEQ-NSHDSACASA-N 1 1 298.770 3.107 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000035013327 171931227 /nfs/dbraw/zinc/93/12/27/171931227.db2.gz QHJWDWQARKRNAA-NSHDSACASA-N 1 1 260.293 3.347 20 5 CGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000071954209 176304336 /nfs/dbraw/zinc/30/43/36/176304336.db2.gz ANHYXAXCQSCWBR-OLZOCXBDSA-N 1 1 277.368 3.127 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CC)C1 ZINC000355085788 227383789 /nfs/dbraw/zinc/38/37/89/227383789.db2.gz YSHUYDIOIVBJRD-GFCCVEGCSA-N 1 1 278.352 3.225 20 5 CGBDMO CC(C)c1[nH+]ccn1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000521273037 270101490 /nfs/dbraw/zinc/10/14/90/270101490.db2.gz KASQRFBFPBLOAF-UHFFFAOYSA-N 1 1 263.272 3.102 20 5 CGBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCCO1 ZINC000106866788 276002211 /nfs/dbraw/zinc/00/22/11/276002211.db2.gz VJLPJNJKDDRCGA-INIZCTEOSA-N 1 1 292.379 3.376 20 5 CGBDMO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000353972755 276011845 /nfs/dbraw/zinc/01/18/45/276011845.db2.gz ORIMDBWAMHIJAS-BBRMVZONSA-N 1 1 291.395 3.120 20 5 CGBDMO CCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000353972755 276011846 /nfs/dbraw/zinc/01/18/46/276011846.db2.gz ORIMDBWAMHIJAS-BBRMVZONSA-N 1 1 291.395 3.120 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000553074444 289207455 /nfs/dbraw/zinc/20/74/55/289207455.db2.gz IHTQAUFWLWNPKX-NSHDSACASA-N 1 1 293.342 3.163 20 5 CGBDMO C[N@H+]1CC[C@H](Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000301826158 290226354 /nfs/dbraw/zinc/22/63/54/290226354.db2.gz FAMGAPPXJRHFPW-RDJZCZTQSA-N 1 1 297.358 3.452 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cnc(C2CC2)o1 ZINC000574339417 322435854 /nfs/dbraw/zinc/43/58/54/322435854.db2.gz QNYYCRXTALPREL-AWEZNQCLSA-N 1 1 299.330 3.237 20 5 CGBDMO COc1cc(C[N@H+]2CC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000426476341 533823736 /nfs/dbraw/zinc/82/37/36/533823736.db2.gz ROTYZYYIHKMXFP-MFKMUULPSA-N 1 1 294.326 3.117 20 5 CGBDMO CCCC[N@@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083168332 520478509 /nfs/dbraw/zinc/47/85/09/520478509.db2.gz WPMYLAGZKZYFGA-UHFFFAOYSA-N 1 1 277.324 3.358 20 5 CGBDMO CC[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083168541 523091033 /nfs/dbraw/zinc/09/10/33/523091033.db2.gz GJPKMFIKTVIWLC-NSHDSACASA-N 1 1 289.335 3.358 20 5 CGBDMO Cc1ccc(C[N@H+](C)[C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000183712299 524402104 /nfs/dbraw/zinc/40/21/04/524402104.db2.gz JAKHNCZSUXFCMU-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO CC[C@@H](C)C[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000482840238 535509169 /nfs/dbraw/zinc/50/91/69/535509169.db2.gz IWEGFNGWMAXDRP-GFCCVEGCSA-N 1 1 280.368 3.471 20 5 CGBDMO CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000463023184 535765079 /nfs/dbraw/zinc/76/50/79/535765079.db2.gz HBNMXIIWCWWTKB-OVHOFWQVSA-N 1 1 290.363 3.109 20 5 CGBDMO CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C[C@@H](C)OC ZINC000462824595 535765393 /nfs/dbraw/zinc/76/53/93/535765393.db2.gz FHOFMYVQPCSTNU-KADHNRKRSA-N 1 1 292.379 3.355 20 5 CGBDMO CO[C@@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000451575142 536694050 /nfs/dbraw/zinc/69/40/50/536694050.db2.gz SBSNSDIBKAPACQ-XJKCOSOUSA-N 1 1 292.379 3.321 20 5 CGBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000740870616 572462714 /nfs/dbraw/zinc/46/27/14/572462714.db2.gz GPNOPRPHYPHMLZ-RYUDHWBXSA-N 1 1 295.358 3.043 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1C ZINC000741790951 572529134 /nfs/dbraw/zinc/52/91/34/572529134.db2.gz OIQQTFZKGKIBTJ-QWRGUYRKSA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@H]1CCCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000734001114 572622385 /nfs/dbraw/zinc/62/23/85/572622385.db2.gz IWINQSKPOVUICT-NSHDSACASA-N 1 1 266.316 3.498 20 5 CGBDMO Cc1ccc(N2CCC[N@H+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000747211887 572919208 /nfs/dbraw/zinc/91/92/08/572919208.db2.gz DNAZJUSDTBQHSY-UHFFFAOYSA-N 1 1 291.395 3.214 20 5 CGBDMO CCO[C@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000932970941 618113015 /nfs/dbraw/zinc/11/30/15/618113015.db2.gz YTBBXGHRLZOGIO-JSGCOSHPSA-N 1 1 278.352 3.075 20 5 CGBDMO CCOC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000040689403 618244489 /nfs/dbraw/zinc/24/44/89/618244489.db2.gz LFIRPSYNDJSPHF-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000092085336 618836240 /nfs/dbraw/zinc/83/62/40/618836240.db2.gz BYIUULFRXWAVSU-AOOOYVTPSA-N 1 1 268.744 3.336 20 5 CGBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1C(F)F)C1CC1 ZINC000111290988 618936169 /nfs/dbraw/zinc/93/61/69/618936169.db2.gz FTKXNEPITCVQSE-UHFFFAOYSA-N 1 1 285.294 3.039 20 5 CGBDMO CC[C@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000814179549 619415441 /nfs/dbraw/zinc/41/54/41/619415441.db2.gz ULTKEZFVSSRXJI-JTQLQIEISA-N 1 1 254.717 3.233 20 5 CGBDMO CC[C@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000814179549 619415448 /nfs/dbraw/zinc/41/54/48/619415448.db2.gz ULTKEZFVSSRXJI-JTQLQIEISA-N 1 1 254.717 3.233 20 5 CGBDMO CO[C@@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000895928897 619910150 /nfs/dbraw/zinc/91/01/50/619910150.db2.gz VKJVXOPDZGFPKK-CMPLNLGQSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000895928897 619910152 /nfs/dbraw/zinc/91/01/52/619910152.db2.gz VKJVXOPDZGFPKK-CMPLNLGQSA-N 1 1 298.770 3.248 20 5 CGBDMO CCO[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000042422103 620855530 /nfs/dbraw/zinc/85/55/30/620855530.db2.gz BOBNCUPUIDNOTJ-LBPRGKRZSA-N 1 1 298.770 3.249 20 5 CGBDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000042422103 620855535 /nfs/dbraw/zinc/85/55/35/620855535.db2.gz BOBNCUPUIDNOTJ-LBPRGKRZSA-N 1 1 298.770 3.249 20 5 CGBDMO CCOC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174832016 624179087 /nfs/dbraw/zinc/17/90/87/624179087.db2.gz LENLECCHFKDLNI-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@H]([NH2+]Cc1cccc2c1OCC2)c1ccccc1[N+](=O)[O-] ZINC000921968609 625947487 /nfs/dbraw/zinc/94/74/87/625947487.db2.gz ZFAWBKLJQUEGTI-LBPRGKRZSA-N 1 1 298.342 3.381 20 5 CGBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000752091464 626418642 /nfs/dbraw/zinc/41/86/42/626418642.db2.gz IIXPKGFAJYJWRD-VHSXEESVSA-N 1 1 268.744 3.479 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C3CCC3)C2)cc1F ZINC000839679424 626777978 /nfs/dbraw/zinc/77/79/78/626777978.db2.gz GWJJDYNREVQVAH-CYBMUJFWSA-N 1 1 278.327 3.356 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776584708 628220926 /nfs/dbraw/zinc/22/09/26/628220926.db2.gz PDLVPLDOXOQZET-DVOMOZLQSA-N 1 1 292.379 3.139 20 5 CGBDMO CC[C@@H]1CCCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585575 628221017 /nfs/dbraw/zinc/22/10/17/628221017.db2.gz XBQXAFTXLLFKNO-ZBFHGGJFSA-N 1 1 292.379 3.283 20 5 CGBDMO C[C@H](Cc1[nH]cc[nH+]1)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000782918685 628668368 /nfs/dbraw/zinc/66/83/68/628668368.db2.gz LXHKOYSRHUBLIA-SECBINFHSA-N 1 1 295.726 3.119 20 5 CGBDMO Cc1ccncc1[C@@H](C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000783000440 628671811 /nfs/dbraw/zinc/67/18/11/628671811.db2.gz VKHOQKVMFKQPMA-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO CO[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783664765 628736695 /nfs/dbraw/zinc/73/66/95/628736695.db2.gz NZUCKZGWLDRZFD-GFCCVEGCSA-N 1 1 298.770 3.249 20 5 CGBDMO CO[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1C ZINC000784669056 628828327 /nfs/dbraw/zinc/82/83/27/628828327.db2.gz YECTUXNHVYCBLT-QMTHXVAHSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1C ZINC000784669056 628828330 /nfs/dbraw/zinc/82/83/30/628828330.db2.gz YECTUXNHVYCBLT-QMTHXVAHSA-N 1 1 298.770 3.105 20 5 CGBDMO CC(C)CC[C@@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000863670931 629641135 /nfs/dbraw/zinc/64/11/35/629641135.db2.gz UVXMLLRLKZMQJD-MRVPVSSYSA-N 1 1 296.352 3.142 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@H](c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000799192480 630155786 /nfs/dbraw/zinc/15/57/86/630155786.db2.gz FOGZWEVELBJBTG-HNNXBMFYSA-N 1 1 297.358 3.288 20 5 CGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCC1 ZINC000801511745 630339858 /nfs/dbraw/zinc/33/98/58/630339858.db2.gz HPKAHQCTKUOFIC-UHFFFAOYSA-N 1 1 296.342 3.125 20 5 CGBDMO Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)cn2)cc1[N+](=O)[O-] ZINC000866539237 633182604 /nfs/dbraw/zinc/18/26/04/633182604.db2.gz AAFKFMAMLQWNMU-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO Cc1nn(C[N@@H+]2CCCC[C@H]2CC(C)C)c(C)c1[N+](=O)[O-] ZINC000122118351 633314219 /nfs/dbraw/zinc/31/42/19/633314219.db2.gz LZMRZCAASPFTFR-AWEZNQCLSA-N 1 1 294.399 3.266 20 5 CGBDMO C[C@H]([NH2+]CCOC1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028354 633948172 /nfs/dbraw/zinc/94/81/72/633948172.db2.gz JPKNSKZWULPZNH-NSHDSACASA-N 1 1 296.342 3.344 20 5 CGBDMO Cc1ccc(C[N@H+]([C@@H](C)CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000878477402 635522529 /nfs/dbraw/zinc/52/25/29/635522529.db2.gz ZPAWJTNXEJBLHL-ZDUSSCGKSA-N 1 1 292.379 3.029 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879962178 635889993 /nfs/dbraw/zinc/88/99/93/635889993.db2.gz OASZRTKSADYKIT-CHWSQXEVSA-N 1 1 292.379 3.139 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000885954354 637329800 /nfs/dbraw/zinc/32/98/00/637329800.db2.gz VPEKVDFIMUJJFT-YUELXQCFSA-N 1 1 289.379 3.390 20 5 CGBDMO CCC[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886039677 637381253 /nfs/dbraw/zinc/38/12/53/637381253.db2.gz OEGHHIKSRYNWHM-LBPRGKRZSA-N 1 1 263.341 3.002 20 5 CGBDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886043888 637383299 /nfs/dbraw/zinc/38/32/99/637383299.db2.gz LYKUCZZVUYGZTC-OCCSQVGLSA-N 1 1 277.368 3.390 20 5 CGBDMO CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886138483 637431766 /nfs/dbraw/zinc/43/17/66/637431766.db2.gz LGLLSEHVEBTUGK-MRXNPFEDSA-N 1 1 297.358 3.327 20 5 CGBDMO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886138483 637431768 /nfs/dbraw/zinc/43/17/68/637431768.db2.gz LGLLSEHVEBTUGK-MRXNPFEDSA-N 1 1 297.358 3.327 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000886215884 637462196 /nfs/dbraw/zinc/46/21/96/637462196.db2.gz SLPINFJVTOSAIN-HNNXBMFYSA-N 1 1 297.358 3.369 20 5 CGBDMO Cc1noc(C[N@H+](C)C2CCCCCCC2)c1[N+](=O)[O-] ZINC000851741049 637488024 /nfs/dbraw/zinc/48/80/24/637488024.db2.gz DPVNDOYTOMJZEW-UHFFFAOYSA-N 1 1 281.356 3.436 20 5 CGBDMO C[C@@H](C[N@@H+](C)Cc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000886313926 637495090 /nfs/dbraw/zinc/49/50/90/637495090.db2.gz HRWJKQQVOGHCKR-NSHDSACASA-N 1 1 265.357 3.104 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000851798448 637506311 /nfs/dbraw/zinc/50/63/11/637506311.db2.gz LGKBBHZTLMHGSO-SNVBAGLBSA-N 1 1 266.316 3.354 20 5 CGBDMO CC(C)([NH3+])CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000925737773 638590566 /nfs/dbraw/zinc/59/05/66/638590566.db2.gz KZZZKPFMVPZCAU-AWEZNQCLSA-N 1 1 291.395 3.034 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000859542071 639159443 /nfs/dbraw/zinc/15/94/43/639159443.db2.gz WUQDFVSASIUWLW-OLZOCXBDSA-N 1 1 296.367 3.204 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000246256879 640666368 /nfs/dbraw/zinc/66/63/68/640666368.db2.gz KFKIUMCUZCDPJZ-CZUORRHYSA-N 1 1 292.379 3.140 20 5 CGBDMO CN(C)c1ccc2[nH]c(Cc3cccc([N+](=O)[O-])c3)[nH+]c2c1 ZINC001250594158 805714196 /nfs/dbraw/zinc/71/41/96/805714196.db2.gz AKHNARUJAQQVMS-UHFFFAOYSA-N 1 1 296.330 3.128 20 5 CGBDMO CC[C@H](C)[N@@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254552003 806447972 /nfs/dbraw/zinc/44/79/72/806447972.db2.gz HVNMKVOXDFUUGW-RYUDHWBXSA-N 1 1 250.342 3.256 20 5 CGBDMO CC[N@@H+](Cc1cccnc1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254562945 806450985 /nfs/dbraw/zinc/45/09/85/806450985.db2.gz SCSUDJRJCKAZSY-AWEZNQCLSA-N 1 1 299.374 3.443 20 5 CGBDMO CO[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC001254570933 806453003 /nfs/dbraw/zinc/45/30/03/806453003.db2.gz QRNOSCAHNCDUAW-GZBFAFLISA-N 1 1 292.379 3.025 20 5 CGBDMO CO[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001254570935 806453308 /nfs/dbraw/zinc/45/33/08/806453308.db2.gz QRNOSCAHNCDUAW-KCQAQPDRSA-N 1 1 292.379 3.025 20 5 CGBDMO CCCCC[N@@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601055 806458454 /nfs/dbraw/zinc/45/84/54/806458454.db2.gz XTKIAENVRYKSPI-HNNXBMFYSA-N 1 1 262.353 3.184 20 5 CGBDMO C[N@@H+](CC1CC(F)(F)C1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602717 806458822 /nfs/dbraw/zinc/45/88/22/806458822.db2.gz IRNNMYULQNYFMA-CQSZACIVSA-N 1 1 296.317 3.039 20 5 CGBDMO CCC[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037095021 798859453 /nfs/dbraw/zinc/85/94/53/798859453.db2.gz AKGCBZNBDAULGR-UHFFFAOYSA-N 1 1 256.733 3.480 20 5 CGBDMO C[C@@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000705458146 799950158 /nfs/dbraw/zinc/95/01/58/799950158.db2.gz NTKXBJJTWMRMQK-LLVKDONJSA-N 1 1 266.316 3.356 20 5 CGBDMO Cc1nc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)sc1C ZINC000719598316 800244880 /nfs/dbraw/zinc/24/48/80/800244880.db2.gz FBRFRBBNSVLSEI-UHFFFAOYSA-N 1 1 291.376 3.266 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC001168424940 807410288 /nfs/dbraw/zinc/41/02/88/807410288.db2.gz YNESSBWZWCUDNB-GFCCVEGCSA-N 1 1 292.379 3.471 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCc3cc(Cl)ccc3C2)C1 ZINC001169036404 807556339 /nfs/dbraw/zinc/55/63/39/807556339.db2.gz OBXZNSBUYPYZKQ-NHYWBVRUSA-N 1 1 294.782 3.144 20 5 CGBDMO COc1ccc(C[C@@H](C)[N@H+]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC001170327685 807827303 /nfs/dbraw/zinc/82/73/03/807827303.db2.gz HBVXZNITZFSWOT-GFCCVEGCSA-N 1 1 292.379 3.409 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@H](C)CCC1(C)C ZINC001171077325 807978316 /nfs/dbraw/zinc/97/83/16/807978316.db2.gz DDALPVCLZIXKBT-LLVKDONJSA-N 1 1 278.352 3.366 20 5 CGBDMO C[C@@H]1CCC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909461 808476099 /nfs/dbraw/zinc/47/60/99/808476099.db2.gz RYPVNIHISGTXJX-IUODEOHRSA-N 1 1 274.364 3.327 20 5 CGBDMO C[C@@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906875 808476398 /nfs/dbraw/zinc/47/63/98/808476398.db2.gz ZDJQUYYCRAJDQF-IUODEOHRSA-N 1 1 274.364 3.184 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1nccs1 ZINC001173235359 808544984 /nfs/dbraw/zinc/54/49/84/808544984.db2.gz WINUTVYTQXDAAJ-LLVKDONJSA-N 1 1 291.376 3.114 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1nccs1 ZINC001173235359 808544988 /nfs/dbraw/zinc/54/49/88/808544988.db2.gz WINUTVYTQXDAAJ-LLVKDONJSA-N 1 1 291.376 3.114 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@@H](C)CCC1(C)C ZINC001195074438 811194120 /nfs/dbraw/zinc/19/41/20/811194120.db2.gz JJESYBRWRYNFJU-NSHDSACASA-N 1 1 278.352 3.366 20 5 CGBDMO C[C@H](O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC001224020679 816721550 /nfs/dbraw/zinc/72/15/50/816721550.db2.gz ZNUHTOIEKQJYHW-KSYCFECVSA-N 1 1 290.363 3.298 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c1 ZINC001225681199 817139355 /nfs/dbraw/zinc/13/93/55/817139355.db2.gz OEZDORGNICXESR-VIKVFOODSA-N 1 1 290.363 3.012 20 5 CGBDMO CC[N@H+]1CC[C@@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001226445866 817359882 /nfs/dbraw/zinc/35/98/82/817359882.db2.gz GWZAHBHSUJSGPI-CYBMUJFWSA-N 1 1 292.379 3.365 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CCC[N@H+](C)CC1 ZINC001226990879 817526881 /nfs/dbraw/zinc/52/68/81/817526881.db2.gz YKBWFPMOXRWQMX-LLVKDONJSA-N 1 1 298.770 3.420 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001226993415 817528459 /nfs/dbraw/zinc/52/84/59/817528459.db2.gz WGJBZJSDKCBKQB-CQSZACIVSA-N 1 1 278.352 3.155 20 5 CGBDMO CC[NH+]1CC(Oc2cccc3ccc4cccnc4c32)C1 ZINC001227763926 817716393 /nfs/dbraw/zinc/71/63/93/817716393.db2.gz IWCFCDBQUJYZHH-UHFFFAOYSA-N 1 1 278.355 3.471 20 5 CGBDMO CC[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001228759240 818002424 /nfs/dbraw/zinc/00/24/24/818002424.db2.gz YEPATULBBDCPJY-LLVKDONJSA-N 1 1 284.743 3.111 20 5 CGBDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001330089603 935268004 /nfs/dbraw/zinc/26/80/04/935268004.db2.gz RUXVKFSMHNRBDA-UONOGXRCSA-N 1 1 280.393 3.311 20 5 CGBDMO CC(C)(C)[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001459806696 937501121 /nfs/dbraw/zinc/50/11/21/937501121.db2.gz LHTGQUCCMYLXIH-ZDUSSCGKSA-N 1 1 292.379 3.342 20 5 CGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC001229962120 932511116 /nfs/dbraw/zinc/51/11/16/932511116.db2.gz ORPPGDXESXIOSB-IAZYJMLFSA-N 1 1 296.754 3.252 20 5 CGBDMO CC[N@H+]1CCC[C@H](Oc2cc(C)c(Cl)cc2[N+](=O)[O-])C1 ZINC001229975201 932514894 /nfs/dbraw/zinc/51/48/94/932514894.db2.gz MKBDQDYKAIKHRQ-NSHDSACASA-N 1 1 298.770 3.420 20 5 CGBDMO CC[N@H+]1CCC[C@H](Oc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230914270 932641804 /nfs/dbraw/zinc/64/18/04/932641804.db2.gz GOVCYPVERFDPDT-JTQLQIEISA-N 1 1 284.743 3.111 20 5 CGBDMO C[N@H+]1CC[C@@H](Oc2cccc(-c3cccc([N+](=O)[O-])c3)c2)C1 ZINC001230938591 932645945 /nfs/dbraw/zinc/64/59/45/932645945.db2.gz JAIWKNYRNIURDQ-QGZVFWFLSA-N 1 1 298.342 3.345 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC001307845799 933007885 /nfs/dbraw/zinc/00/78/85/933007885.db2.gz UIELVFBVRLXRSM-ZDUSSCGKSA-N 1 1 290.363 3.225 20 5 CGBDMO CC[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC001473402602 937804906 /nfs/dbraw/zinc/80/49/06/937804906.db2.gz LMBLDNKRLOCEAR-STQMWFEESA-N 1 1 278.352 3.094 20 5 CGBDMO Cc1cc(OCc2ccc([N+](=O)[O-])cc2F)cc[nH+]1 ZINC001327518297 935066528 /nfs/dbraw/zinc/06/65/28/935066528.db2.gz 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CC[N@H+]1CCCC[C@@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000301524621 201045558 /nfs/dbraw/zinc/04/55/58/201045558.db2.gz HCRCLVXMCQPJHZ-LLVKDONJSA-N 1 1 281.331 3.020 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000301573475 201074674 /nfs/dbraw/zinc/07/46/74/201074674.db2.gz PITVCJISFRWOKY-ZDUSSCGKSA-N 1 1 277.368 3.047 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1CNc1[nH]c2ccccc2[nH+]1 ZINC000301861320 201238131 /nfs/dbraw/zinc/23/81/31/201238131.db2.gz FUSMKPZNMUHOIM-UHFFFAOYSA-N 1 1 298.302 3.092 20 5 CGBDMO Cc1cc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc(C)[nH+]1 ZINC000301901296 201254332 /nfs/dbraw/zinc/25/43/32/201254332.db2.gz NEPBWWAYHIQMNY-UHFFFAOYSA-N 1 1 298.346 3.171 20 5 CGBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000459734339 242198634 /nfs/dbraw/zinc/19/86/34/242198634.db2.gz ONQALBQDCYTUJJ-UHFFFAOYSA-N 1 1 254.355 3.277 20 5 CGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000481396397 243191738 /nfs/dbraw/zinc/19/17/38/243191738.db2.gz FVQDMMSYBGVCCL-IUODEOHRSA-N 1 1 278.352 3.094 20 5 CGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330615488 203041161 /nfs/dbraw/zinc/04/11/61/203041161.db2.gz UETZZPKMWQNBCW-WCQYABFASA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@@H](C[NH+]1CCCCC1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037153277 369069223 /nfs/dbraw/zinc/06/92/23/369069223.db2.gz JUEGLXRTROWGGY-KBPBESRZSA-N 1 1 291.395 3.120 20 5 CGBDMO CCOc1cc(C[N@H+]2CC[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000492821637 244031028 /nfs/dbraw/zinc/03/10/28/244031028.db2.gz ZJQIYUOVDMRSQN-UONOGXRCSA-N 1 1 290.363 3.368 20 5 CGBDMO C[N@@H+](CCCNc1ccc([N+](=O)[O-])nc1)C1CCCCC1 ZINC000055372155 369516491 /nfs/dbraw/zinc/51/64/91/369516491.db2.gz VJNACWLTMUVLDH-UHFFFAOYSA-N 1 1 292.383 3.056 20 5 CGBDMO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000078003989 369950056 /nfs/dbraw/zinc/95/00/56/369950056.db2.gz GSGQYMXYOCMBNE-LBPRGKRZSA-N 1 1 277.349 3.292 20 5 CGBDMO Cc1c(C[N@@H+]2CCS[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000118417597 370615175 /nfs/dbraw/zinc/61/51/75/370615175.db2.gz NGYMPTFGGIGQHA-NWDGAFQWSA-N 1 1 280.393 3.229 20 5 CGBDMO CS[C@@H]1CCCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000134604490 371353080 /nfs/dbraw/zinc/35/30/80/371353080.db2.gz MDDLPXIWNDJEKN-LLVKDONJSA-N 1 1 298.383 3.451 20 5 CGBDMO Cc1ncccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154270998 371832382 /nfs/dbraw/zinc/83/23/82/371832382.db2.gz XHOXABHDAOGOST-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO Cc1ncccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154270998 371832391 /nfs/dbraw/zinc/83/23/91/371832391.db2.gz XHOXABHDAOGOST-UHFFFAOYSA-N 1 1 297.358 3.463 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000344154794 217076825 /nfs/dbraw/zinc/07/68/25/217076825.db2.gz YZIQBUYGTFPFAX-AWEZNQCLSA-N 1 1 290.363 3.225 20 5 CGBDMO CCCC[C@H](CN)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423303758 372049880 /nfs/dbraw/zinc/04/98/80/372049880.db2.gz XKSASIWJMYJNKY-CJNGLKHVSA-N 1 1 291.395 3.079 20 5 CGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000162141090 372377024 /nfs/dbraw/zinc/37/70/24/372377024.db2.gz TWVOKILZQBRPRT-QPJJXVBHSA-N 1 1 272.304 3.333 20 5 CGBDMO Cc1ccoc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000293366578 372365758 /nfs/dbraw/zinc/36/57/58/372365758.db2.gz HRJYACSUASAYBV-NSHDSACASA-N 1 1 260.293 3.347 20 5 CGBDMO CS[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000294185623 372607668 /nfs/dbraw/zinc/60/76/68/372607668.db2.gz FECKAQFOQAGYQZ-NSHDSACASA-N 1 1 286.784 3.186 20 5 CGBDMO CS[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000294185623 372607672 /nfs/dbraw/zinc/60/76/72/372607672.db2.gz FECKAQFOQAGYQZ-NSHDSACASA-N 1 1 286.784 3.186 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000433807218 372632804 /nfs/dbraw/zinc/63/28/04/372632804.db2.gz DQNAJIRAEQZOSX-CQSZACIVSA-N 1 1 289.379 3.332 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433796715 372632968 /nfs/dbraw/zinc/63/29/68/372632968.db2.gz PLIMJIXJPJJSFU-OAHLLOKOSA-N 1 1 289.379 3.332 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433812161 372635817 /nfs/dbraw/zinc/63/58/17/372635817.db2.gz MZTVDESYNZSIFB-ZDUSSCGKSA-N 1 1 293.342 3.163 20 5 CGBDMO C[C@@H]1CCCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000353494329 220118218 /nfs/dbraw/zinc/11/82/18/220118218.db2.gz ZPPSWAQLQICTIH-SNVBAGLBSA-N 1 1 254.355 3.421 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444596914 373209413 /nfs/dbraw/zinc/20/94/13/373209413.db2.gz OEVUFOSJFZXYNP-LLVKDONJSA-N 1 1 288.351 3.093 20 5 CGBDMO CC(C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000444778381 373271650 /nfs/dbraw/zinc/27/16/50/373271650.db2.gz UNODLAMNBMETBN-UHFFFAOYSA-N 1 1 292.379 3.484 20 5 CGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1F)[N@H+]1CCC[C@H](C)C1 ZINC000301127860 373670367 /nfs/dbraw/zinc/67/03/67/373670367.db2.gz XSEPABGYRXAZSA-RYUDHWBXSA-N 1 1 295.358 3.266 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000449505095 373805163 /nfs/dbraw/zinc/80/51/63/373805163.db2.gz QWFWNDYDAYGCQW-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO Cn1cccc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449494688 373790292 /nfs/dbraw/zinc/79/02/92/373790292.db2.gz BFTMCDXAHBTPAS-HNNXBMFYSA-N 1 1 299.374 3.313 20 5 CGBDMO CO[C@@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000451575139 374203989 /nfs/dbraw/zinc/20/39/89/374203989.db2.gz SBSNSDIBKAPACQ-HEHGZKQESA-N 1 1 292.379 3.321 20 5 CGBDMO CC(C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311683514 374253942 /nfs/dbraw/zinc/25/39/42/374253942.db2.gz JMVSKEPTBVJPQN-LLVKDONJSA-N 1 1 266.316 3.212 20 5 CGBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000311794762 374258151 /nfs/dbraw/zinc/25/81/51/374258151.db2.gz YXRHNQIYBJGOAS-GFCCVEGCSA-N 1 1 284.356 3.061 20 5 CGBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000311794762 374258158 /nfs/dbraw/zinc/25/81/58/374258158.db2.gz YXRHNQIYBJGOAS-GFCCVEGCSA-N 1 1 284.356 3.061 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)C[N@H+](C)C(C)C ZINC000311994651 374266063 /nfs/dbraw/zinc/26/60/63/374266063.db2.gz OXTBOOPQXVZUFY-LBPRGKRZSA-N 1 1 265.357 3.044 20 5 CGBDMO Cc1c(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000331301893 374520172 /nfs/dbraw/zinc/52/01/72/374520172.db2.gz CKLGRMOJKJJFBG-OAHLLOKOSA-N 1 1 292.379 3.150 20 5 CGBDMO Cc1c(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000331301893 374520176 /nfs/dbraw/zinc/52/01/76/374520176.db2.gz CKLGRMOJKJJFBG-OAHLLOKOSA-N 1 1 292.379 3.150 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332291223 374565576 /nfs/dbraw/zinc/56/55/76/374565576.db2.gz YCLPVSXXNQRHEC-LLVKDONJSA-N 1 1 288.351 3.236 20 5 CGBDMO CCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC(C)C ZINC000508581318 375751386 /nfs/dbraw/zinc/75/13/86/375751386.db2.gz INJHVSXGMSLHJW-UHFFFAOYSA-N 1 1 280.368 3.471 20 5 CGBDMO CC(C)[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000193199957 375838595 /nfs/dbraw/zinc/83/85/95/375838595.db2.gz FNTZTXTWRXZAIA-INIZCTEOSA-N 1 1 292.379 3.139 20 5 CGBDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000336812202 375964558 /nfs/dbraw/zinc/96/45/58/375964558.db2.gz QMPRFXAYVANWHM-MNOVXSKESA-N 1 1 266.316 3.354 20 5 CGBDMO Cc1cc(NCCC[N@H+](C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000336844468 376006593 /nfs/dbraw/zinc/00/65/93/376006593.db2.gz ZPBBBBHSMUVKHC-UHFFFAOYSA-N 1 1 283.347 3.185 20 5 CGBDMO Cc1c(C[NH2+][C@H](C)c2ccncc2F)cccc1[N+](=O)[O-] ZINC000338376051 376354813 /nfs/dbraw/zinc/35/48/13/376354813.db2.gz YTBWYCIDEZHJJE-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO C[C@@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC000540327659 376371575 /nfs/dbraw/zinc/37/15/75/376371575.db2.gz QGVWZQOPUZMNTI-LLVKDONJSA-N 1 1 296.330 3.322 20 5 CGBDMO COc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000229742194 376470235 /nfs/dbraw/zinc/47/02/35/376470235.db2.gz DFCHGFHTDIQFJU-UHFFFAOYSA-N 1 1 290.294 3.032 20 5 CGBDMO Cc1cc[nH+]c(NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000231868255 376571977 /nfs/dbraw/zinc/57/19/77/376571977.db2.gz QBOIZHYPDLTCFZ-UHFFFAOYSA-N 1 1 257.293 3.219 20 5 CGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1F)[N@H+]1CCCC[C@H]1C ZINC000339004935 376623702 /nfs/dbraw/zinc/62/37/02/376623702.db2.gz VUPQXISTWPCUIU-NEPJUHHUSA-N 1 1 295.358 3.409 20 5 CGBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000543247161 376624375 /nfs/dbraw/zinc/62/43/75/376624375.db2.gz AIJWPPOHRWJYKJ-ZDUSSCGKSA-N 1 1 262.353 3.463 20 5 CGBDMO COc1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000339031235 376636068 /nfs/dbraw/zinc/63/60/68/376636068.db2.gz BNJRBKGAQMFFCW-DGCLKSJQSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000556866688 376891306 /nfs/dbraw/zinc/89/13/06/376891306.db2.gz HQBHQIPDHACPHT-JMSVASOKSA-N 1 1 290.363 3.453 20 5 CGBDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000556866688 376891312 /nfs/dbraw/zinc/89/13/12/376891312.db2.gz HQBHQIPDHACPHT-JMSVASOKSA-N 1 1 290.363 3.453 20 5 CGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(F)(F)C1 ZINC000340281353 376978471 /nfs/dbraw/zinc/97/84/71/376978471.db2.gz XJKYZCLBYIWLIP-LLVKDONJSA-N 1 1 284.306 3.462 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558737250 377042558 /nfs/dbraw/zinc/04/25/58/377042558.db2.gz ZEAIGKDKOMVOQK-LBPRGKRZSA-N 1 1 250.342 3.258 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCSC[C@H](C)C1 ZINC000249136231 377469440 /nfs/dbraw/zinc/46/94/40/377469440.db2.gz YSFDPPYNTUSLCP-VXGBXAGGSA-N 1 1 280.393 3.341 20 5 CGBDMO Cc1cc(NCC[N@H+](C)C2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000313981645 249094722 /nfs/dbraw/zinc/09/47/22/249094722.db2.gz MGVMRQDVZGOJGT-UHFFFAOYSA-N 1 1 295.358 3.329 20 5 CGBDMO CCC(C)(C)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000265275161 190171373 /nfs/dbraw/zinc/17/13/73/190171373.db2.gz XXIYXAXZUZSMMU-UHFFFAOYSA-N 1 1 294.351 3.082 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@H](c3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000518674267 249284656 /nfs/dbraw/zinc/28/46/56/249284656.db2.gz PCDKPIABQLDPBR-INIZCTEOSA-N 1 1 297.358 3.288 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC000517562388 249267589 /nfs/dbraw/zinc/26/75/89/249267589.db2.gz OQDLCJILUJQROL-KRWDZBQOSA-N 1 1 298.342 3.248 20 5 CGBDMO CC[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255583247 377768542 /nfs/dbraw/zinc/76/85/42/377768542.db2.gz OVQGZUGNWSZZPJ-VGVVRCBHSA-N 1 1 260.337 3.340 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2C2CCC2)cs1 ZINC000343006450 377879847 /nfs/dbraw/zinc/87/98/47/377879847.db2.gz BANZCZZWRHESMX-LBPRGKRZSA-N 1 1 266.366 3.421 20 5 CGBDMO COC(C)(C)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000346440111 378579138 /nfs/dbraw/zinc/57/91/38/378579138.db2.gz WSEHEGDEQPNKNA-UHFFFAOYSA-N 1 1 292.379 3.374 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000272586123 378671503 /nfs/dbraw/zinc/67/15/03/378671503.db2.gz WTBFDYRJSGBANW-IHRRRGAJSA-N 1 1 292.379 3.200 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(F)C1 ZINC000347357134 378715926 /nfs/dbraw/zinc/71/59/26/378715926.db2.gz ROKGENOIBGENOO-GWCFXTLKSA-N 1 1 252.289 3.090 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(F)C1 ZINC000347357134 378715931 /nfs/dbraw/zinc/71/59/31/378715931.db2.gz ROKGENOIBGENOO-GWCFXTLKSA-N 1 1 252.289 3.090 20 5 CGBDMO CC(C)OCCC[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353699316 220264621 /nfs/dbraw/zinc/26/46/21/220264621.db2.gz RMWPZEFIVPEIIP-TWGQIWQCSA-N 1 1 292.379 3.355 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCCCCO ZINC000278819363 194169057 /nfs/dbraw/zinc/16/90/57/194169057.db2.gz HJOJVLMMJSOGOI-CYBMUJFWSA-N 1 1 280.368 3.059 20 5 CGBDMO Cc1ccc(C(C)(C)[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC000353171177 380151572 /nfs/dbraw/zinc/15/15/72/380151572.db2.gz KLWDNVPZKUECSK-UHFFFAOYSA-N 1 1 291.376 3.385 20 5 CGBDMO Cc1ccccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000353607969 380215450 /nfs/dbraw/zinc/21/54/50/380215450.db2.gz CLHWXKSHBJVFBK-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO COCCCC[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000419381202 380824605 /nfs/dbraw/zinc/82/46/05/380824605.db2.gz HZAJKBHPDADKBD-LBPRGKRZSA-N 1 1 266.341 3.014 20 5 CGBDMO C[C@H]1[C@@H](C)[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000419372319 380818963 /nfs/dbraw/zinc/81/89/63/380818963.db2.gz MDEXZBBEFSAEQE-GMTAPVOTSA-N 1 1 266.316 3.210 20 5 CGBDMO CC1=CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000280920014 195028677 /nfs/dbraw/zinc/02/86/77/195028677.db2.gz UBYWMVMJINNMSR-UHFFFAOYSA-N 1 1 299.330 3.402 20 5 CGBDMO CC1=CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000280920014 195028680 /nfs/dbraw/zinc/02/86/80/195028680.db2.gz UBYWMVMJINNMSR-UHFFFAOYSA-N 1 1 299.330 3.402 20 5 CGBDMO COc1ccc(C[N@H+](C)[C@@H](C)c2ccco2)cc1[N+](=O)[O-] ZINC000069066471 392169512 /nfs/dbraw/zinc/16/95/12/392169512.db2.gz OIADEJBSKURHAF-NSHDSACASA-N 1 1 290.319 3.389 20 5 CGBDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccco2)cc1[N+](=O)[O-] ZINC000069066471 392169517 /nfs/dbraw/zinc/16/95/17/392169517.db2.gz OIADEJBSKURHAF-NSHDSACASA-N 1 1 290.319 3.389 20 5 CGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000505577680 392675721 /nfs/dbraw/zinc/67/57/21/392675721.db2.gz ZZKNJZWZJPBHSC-RYUDHWBXSA-N 1 1 295.358 3.266 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC23CCOCC3)ccc1Cl ZINC000376117715 392863294 /nfs/dbraw/zinc/86/32/94/392863294.db2.gz SQVWCNSDNVLAGF-UHFFFAOYSA-N 1 1 296.754 3.003 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC23CCOCC3)ccc1Cl ZINC000376117715 392863299 /nfs/dbraw/zinc/86/32/99/392863299.db2.gz SQVWCNSDNVLAGF-UHFFFAOYSA-N 1 1 296.754 3.003 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](C)C1 ZINC000470176070 393231614 /nfs/dbraw/zinc/23/16/14/393231614.db2.gz HYYKZRYTLOTGQX-YFBAIUBQSA-N 1 1 260.337 3.340 20 5 CGBDMO C[C@H]1CC[C@H](C)[NH+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351872195 393197179 /nfs/dbraw/zinc/19/71/79/393197179.db2.gz CRVRRRDCPOPIND-IUCAKERBSA-N 1 1 270.279 3.246 20 5 CGBDMO C[C@H]1C[C@@H]1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000488358016 393495655 /nfs/dbraw/zinc/49/56/55/393495655.db2.gz QWXMJUBVPWAHJA-WCQYABFASA-N 1 1 260.337 3.215 20 5 CGBDMO C[C@H]1C[C@@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000488356809 393496425 /nfs/dbraw/zinc/49/64/25/393496425.db2.gz OAALVAWDCQVURM-WCQYABFASA-N 1 1 260.337 3.215 20 5 CGBDMO CCC(C)(C)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000733997181 572622006 /nfs/dbraw/zinc/62/20/06/572622006.db2.gz SDLCFIQAZUNEHQ-UHFFFAOYSA-N 1 1 254.305 3.354 20 5 CGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000491116496 393666879 /nfs/dbraw/zinc/66/68/79/393666879.db2.gz JUAHJMZVUUGZAK-CQSZACIVSA-N 1 1 290.363 3.096 20 5 CGBDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444708522 393790538 /nfs/dbraw/zinc/79/05/38/393790538.db2.gz RKKFWXBQDLDDKZ-WDEREUQCSA-N 1 1 288.351 3.092 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000500407959 393826959 /nfs/dbraw/zinc/82/69/59/393826959.db2.gz MJTGCDVBYUTOFY-LBPRGKRZSA-N 1 1 295.358 3.410 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC000449532001 393885707 /nfs/dbraw/zinc/88/57/07/393885707.db2.gz CPYZUNCAJUOFKD-HZPDHXFCSA-N 1 1 272.348 3.215 20 5 CGBDMO C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000501775649 393860948 /nfs/dbraw/zinc/86/09/48/393860948.db2.gz MCKOAVPCNCYPAO-QWHCGFSZSA-N 1 1 262.353 3.115 20 5 CGBDMO Cc1ccc(C[N@H+](C)[C@@H](CO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000449593243 393916133 /nfs/dbraw/zinc/91/61/33/393916133.db2.gz ZOFFQVGZAOJTIQ-CQSZACIVSA-N 1 1 294.395 3.132 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C)C(C)C ZINC000489197576 397707931 /nfs/dbraw/zinc/70/79/31/397707931.db2.gz OJJJWUZPKUXWJS-LBPRGKRZSA-N 1 1 280.368 3.470 20 5 CGBDMO CCCC[N@@H+](CC)CCc1ccc([N+](=O)[O-])cc1 ZINC000076908435 287036618 /nfs/dbraw/zinc/03/66/18/287036618.db2.gz NJBKAMLIJFDZDI-UHFFFAOYSA-N 1 1 250.342 3.259 20 5 CGBDMO C[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000063302438 165031881 /nfs/dbraw/zinc/03/18/81/165031881.db2.gz DCEKBTYOKZOZII-JTQLQIEISA-N 1 1 254.355 3.278 20 5 CGBDMO CC[C@H](CSC)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000091099619 165258064 /nfs/dbraw/zinc/25/80/64/165258064.db2.gz KBSFZFLIARYLBR-GFCCVEGCSA-N 1 1 268.382 3.168 20 5 CGBDMO Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000093443122 287116681 /nfs/dbraw/zinc/11/66/81/287116681.db2.gz IOZDWFDVEYWRBX-OKILXGFUSA-N 1 1 260.337 3.135 20 5 CGBDMO COc1ccc(C[NH2+][C@H](C)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000038097577 174112738 /nfs/dbraw/zinc/11/27/38/174112738.db2.gz JYOONZSVKIQJED-LLVKDONJSA-N 1 1 290.319 3.356 20 5 CGBDMO C[N@@H+](CCOc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000301603510 262215062 /nfs/dbraw/zinc/21/50/62/262215062.db2.gz ALGXMNNSGIGBDS-UHFFFAOYSA-N 1 1 286.331 3.106 20 5 CGBDMO COCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000272488582 263005243 /nfs/dbraw/zinc/00/52/43/263005243.db2.gz FCUCUIHRBNWPDI-AWEZNQCLSA-N 1 1 290.319 3.055 20 5 CGBDMO C[C@@H](C1CC1)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000520843042 270099162 /nfs/dbraw/zinc/09/91/62/270099162.db2.gz HMIFPGDADMMYCO-LBPRGKRZSA-N 1 1 290.363 3.237 20 5 CGBDMO CC[N@H+]1CC[C@@H](N(C)c2cc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000447073233 276214139 /nfs/dbraw/zinc/21/41/39/276214139.db2.gz SNBYMYDLCHPCSN-ZIAGYGMSSA-N 1 1 291.395 3.212 20 5 CGBDMO CCOC[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000459708457 276333898 /nfs/dbraw/zinc/33/38/98/276333898.db2.gz JVCMSVDDKXBIOW-MRXNPFEDSA-N 1 1 292.379 3.028 20 5 CGBDMO COC[C@]1(C)CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000296567337 277269020 /nfs/dbraw/zinc/26/90/20/277269020.db2.gz CXNCCMIWCCBSDQ-IUODEOHRSA-N 1 1 278.352 3.014 20 5 CGBDMO C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000297329246 279553858 /nfs/dbraw/zinc/55/38/58/279553858.db2.gz NWIGHZXOLFQJHK-MJVIPROJSA-N 1 1 286.335 3.148 20 5 CGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430214534 281107059 /nfs/dbraw/zinc/10/70/59/281107059.db2.gz ZVEJSFKETSJWEC-YPMHNXCESA-N 1 1 278.352 3.366 20 5 CGBDMO CC(C)[N@H+](Cc1csc([N+](=O)[O-])c1)CC1CC1 ZINC000533352897 288377352 /nfs/dbraw/zinc/37/73/52/288377352.db2.gz NAXQMTDAQVEJAU-UHFFFAOYSA-N 1 1 254.355 3.277 20 5 CGBDMO CC(C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000533495131 288383529 /nfs/dbraw/zinc/38/35/29/288383529.db2.gz ZDQNKWIJHHKZTE-UHFFFAOYSA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@H](c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451896515 290242072 /nfs/dbraw/zinc/24/20/72/290242072.db2.gz GNQXACFBOOHHNI-CJNGLKHVSA-N 1 1 290.363 3.158 20 5 CGBDMO CC(C)O[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000566242882 322110858 /nfs/dbraw/zinc/11/08/58/322110858.db2.gz PJLKTRVWMYIURY-ZQMJAJRESA-N 1 1 290.363 3.107 20 5 CGBDMO C[C@H]([NH2+]Cc1ccc2c(n1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000570927386 322285668 /nfs/dbraw/zinc/28/56/68/322285668.db2.gz NWJPNICMODYXFN-LBPRGKRZSA-N 1 1 297.358 3.329 20 5 CGBDMO Cc1cc[nH+]c(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000182638707 335832990 /nfs/dbraw/zinc/83/29/90/335832990.db2.gz NKMLFXXPFWKJOU-NSHDSACASA-N 1 1 257.293 3.471 20 5 CGBDMO C[C@H]1Cc2[nH+]cn(Cc3ccccc3[N+](=O)[O-])c2C[C@@H]1C ZINC000386323950 336170687 /nfs/dbraw/zinc/17/06/87/336170687.db2.gz GCEPTTPMLSIULG-RYUDHWBXSA-N 1 1 285.347 3.210 20 5 CGBDMO CC[C@@H](NCC[N@@H+](CC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000156625630 522834403 /nfs/dbraw/zinc/83/44/03/522834403.db2.gz WPSYVENKKODECF-MRXNPFEDSA-N 1 1 293.411 3.366 20 5 CGBDMO CC[C@@H]([NH2+]CCN(CC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000156625630 522834411 /nfs/dbraw/zinc/83/44/11/522834411.db2.gz WPSYVENKKODECF-MRXNPFEDSA-N 1 1 293.411 3.366 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](F)C1 ZINC000449392399 527501920 /nfs/dbraw/zinc/50/19/20/527501920.db2.gz KBRMMQLZPIPDMK-YLBKJLTLSA-N 1 1 264.300 3.042 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](F)C1 ZINC000449392399 527501923 /nfs/dbraw/zinc/50/19/23/527501923.db2.gz KBRMMQLZPIPDMK-YLBKJLTLSA-N 1 1 264.300 3.042 20 5 CGBDMO CC[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000439477620 529295992 /nfs/dbraw/zinc/29/59/92/529295992.db2.gz KOEQZNVUSSXRAN-NSHDSACASA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000439477620 529295994 /nfs/dbraw/zinc/29/59/94/529295994.db2.gz KOEQZNVUSSXRAN-NSHDSACASA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@](C)([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000152641201 529371864 /nfs/dbraw/zinc/37/18/64/529371864.db2.gz CDENGWYZAHFQOF-AWEZNQCLSA-N 1 1 291.376 3.466 20 5 CGBDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000738055004 572364125 /nfs/dbraw/zinc/36/41/25/572364125.db2.gz LUFVIRUHRHEIQD-FZMZJTMJSA-N 1 1 294.399 3.266 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891442667 618211422 /nfs/dbraw/zinc/21/14/22/618211422.db2.gz AGHRIFHLHNJKNP-LBPRGKRZSA-N 1 1 294.351 3.074 20 5 CGBDMO Cc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cnc1F ZINC000893279783 619062930 /nfs/dbraw/zinc/06/29/30/619062930.db2.gz QSERZXDUMBXUOR-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO C[C@H](CNc1cc(Cl)ccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000220126964 619096080 /nfs/dbraw/zinc/09/60/80/619096080.db2.gz KMEVNIMZGMHWST-SECBINFHSA-N 1 1 283.759 3.143 20 5 CGBDMO CC(C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000111290946 619190927 /nfs/dbraw/zinc/19/09/27/619190927.db2.gz MYGNPHMPHULKPK-UHFFFAOYSA-N 1 1 287.310 3.285 20 5 CGBDMO CC[C@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774272 619262835 /nfs/dbraw/zinc/26/28/35/619262835.db2.gz ZATSGYDXFASXQR-JTQLQIEISA-N 1 1 254.305 3.212 20 5 CGBDMO Cc1ncoc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000893945923 619338464 /nfs/dbraw/zinc/33/84/64/619338464.db2.gz NAJBTFBCDBRJBM-UHFFFAOYSA-N 1 1 289.335 3.302 20 5 CGBDMO Cc1ncoc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000893945923 619338467 /nfs/dbraw/zinc/33/84/67/619338467.db2.gz NAJBTFBCDBRJBM-UHFFFAOYSA-N 1 1 289.335 3.302 20 5 CGBDMO Cc1ncoc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000894315705 619487931 /nfs/dbraw/zinc/48/79/31/619487931.db2.gz GLOVUIKYRZTVMY-JTQLQIEISA-N 1 1 275.308 3.050 20 5 CGBDMO C[N@@H+](CCO)Cc1c2ccccc2cc2ccccc21 ZINC000144752406 620221485 /nfs/dbraw/zinc/22/14/85/620221485.db2.gz RCWZNNHNMMJWAN-UHFFFAOYSA-N 1 1 265.356 3.417 20 5 CGBDMO O=[N+]([O-])CC[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000929726268 623531655 /nfs/dbraw/zinc/53/16/55/623531655.db2.gz QTYSBOSZZSYESO-KRWDZBQOSA-N 1 1 282.343 3.063 20 5 CGBDMO O=[N+]([O-])CC[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000929726268 623531666 /nfs/dbraw/zinc/53/16/66/623531666.db2.gz QTYSBOSZZSYESO-KRWDZBQOSA-N 1 1 282.343 3.063 20 5 CGBDMO CCc1onc(C)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000922981819 626114655 /nfs/dbraw/zinc/11/46/55/626114655.db2.gz LIHKCDACHCHVTE-UHFFFAOYSA-N 1 1 289.335 3.052 20 5 CGBDMO CC(C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000755994507 626667064 /nfs/dbraw/zinc/66/70/64/626667064.db2.gz HYRXRCFYSYYUQF-LLVKDONJSA-N 1 1 266.316 3.212 20 5 CGBDMO Cc1c([C@@H](C)NCC[N@@H+]2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000766270432 627308783 /nfs/dbraw/zinc/30/87/83/627308783.db2.gz BYNYXACYFIUMHL-GXTWGEPZSA-N 1 1 291.395 3.038 20 5 CGBDMO Cc1c([C@@H](C)NCC[N@H+]2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000766270432 627308786 /nfs/dbraw/zinc/30/87/86/627308786.db2.gz BYNYXACYFIUMHL-GXTWGEPZSA-N 1 1 291.395 3.038 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccoc2)C2CC2)c1 ZINC000768333594 627473453 /nfs/dbraw/zinc/47/34/53/627473453.db2.gz GOZBEQXPTCUGAH-UHFFFAOYSA-N 1 1 272.304 3.352 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccoc2)C2CC2)c1 ZINC000768333594 627473457 /nfs/dbraw/zinc/47/34/57/627473457.db2.gz GOZBEQXPTCUGAH-UHFFFAOYSA-N 1 1 272.304 3.352 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792862517 629388574 /nfs/dbraw/zinc/38/85/74/629388574.db2.gz MCOYAOOXZPXFFK-GFCCVEGCSA-N 1 1 293.323 3.268 20 5 CGBDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792875047 629389530 /nfs/dbraw/zinc/38/95/30/629389530.db2.gz XNAXJVDLGOXDKS-JQWIXIFHSA-N 1 1 293.323 3.266 20 5 CGBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000798965143 630131085 /nfs/dbraw/zinc/13/10/85/630131085.db2.gz UBEGLZMFDJYURF-GFCCVEGCSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000798965143 630131087 /nfs/dbraw/zinc/13/10/87/630131087.db2.gz UBEGLZMFDJYURF-GFCCVEGCSA-N 1 1 298.770 3.249 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880148120 635925615 /nfs/dbraw/zinc/92/56/15/635925615.db2.gz RMHUNIJDIOYULG-CHWSQXEVSA-N 1 1 292.379 3.057 20 5 CGBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC000885931582 637318778 /nfs/dbraw/zinc/31/87/78/637318778.db2.gz VWOSRRKFMNDFQJ-INIZCTEOSA-N 1 1 297.358 3.499 20 5 CGBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC000885931582 637318780 /nfs/dbraw/zinc/31/87/80/637318780.db2.gz VWOSRRKFMNDFQJ-INIZCTEOSA-N 1 1 297.358 3.499 20 5 CGBDMO CC(C)C[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886039232 637380279 /nfs/dbraw/zinc/38/02/79/637380279.db2.gz IFSXSKAWJYJQBW-ZDUSSCGKSA-N 1 1 277.368 3.248 20 5 CGBDMO Cc1cc(N[C@H]2CC[N@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000853232125 637789136 /nfs/dbraw/zinc/78/91/36/637789136.db2.gz SIYQOGSGPDPQBB-JTQLQIEISA-N 1 1 295.770 3.205 20 5 CGBDMO CC[N@H+]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000853457663 637848077 /nfs/dbraw/zinc/84/80/77/637848077.db2.gz FFOZHTKJPOGHOK-SNVBAGLBSA-N 1 1 299.321 3.063 20 5 CGBDMO CSCCC[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000302358722 637898348 /nfs/dbraw/zinc/89/83/48/637898348.db2.gz MAPJNPMMDNTCLZ-UHFFFAOYSA-N 1 1 288.800 3.433 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cn(C)cn2)cc1[N+](=O)[O-] ZINC000925497872 638238555 /nfs/dbraw/zinc/23/85/55/638238555.db2.gz ZOWZKVRRXKKQNN-VXGBXAGGSA-N 1 1 288.351 3.049 20 5 CGBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000047540432 640019046 /nfs/dbraw/zinc/01/90/46/640019046.db2.gz CMIYUSYWFGDWCC-UHFFFAOYSA-N 1 1 266.316 3.498 20 5 CGBDMO CC(C)O[C@@H]1CC[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254565359 806451182 /nfs/dbraw/zinc/45/11/82/806451182.db2.gz OPRNKJMWVKGKRU-UKRRQHHQSA-N 1 1 292.379 3.025 20 5 CGBDMO Cc1ncccc1C[N@H+](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254565782 806452016 /nfs/dbraw/zinc/45/20/16/806452016.db2.gz PXNXBXQMCHMRCH-CYBMUJFWSA-N 1 1 299.374 3.361 20 5 CGBDMO COc1cc([N+](=O)[O-])c(NC(=[NH2+])C(C)(C)C)cc1F ZINC001162664920 806643356 /nfs/dbraw/zinc/64/33/56/806643356.db2.gz WXWUSTSKFAWMBB-UHFFFAOYSA-N 1 1 269.276 3.178 20 5 CGBDMO CC(C)(C)[C@@H]([NH2+]Cn1nccc1[N+](=O)[O-])c1ccccc1 ZINC000123581556 798995296 /nfs/dbraw/zinc/99/52/96/798995296.db2.gz CTYPDKPNFYLENP-AWEZNQCLSA-N 1 1 288.351 3.126 20 5 CGBDMO CC[N@H+](Cc1ccoc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000689133632 799760665 /nfs/dbraw/zinc/76/06/65/799760665.db2.gz CMBHLSCTNYSFDC-UHFFFAOYSA-N 1 1 278.283 3.349 20 5 CGBDMO CC[N@@H+](Cc1ccoc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000689133632 799760669 /nfs/dbraw/zinc/76/06/69/799760669.db2.gz CMBHLSCTNYSFDC-UHFFFAOYSA-N 1 1 278.283 3.349 20 5 CGBDMO C[C@]1(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCCS1 ZINC001118939695 802619992 /nfs/dbraw/zinc/61/99/92/802619992.db2.gz YJOLQDFITSFLTB-CQSZACIVSA-N 1 1 278.377 3.196 20 5 CGBDMO C[C@]1(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCCS1 ZINC001118939695 802619995 /nfs/dbraw/zinc/61/99/95/802619995.db2.gz YJOLQDFITSFLTB-CQSZACIVSA-N 1 1 278.377 3.196 20 5 CGBDMO CC(C)P(CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)C ZINC001169001253 807548744 /nfs/dbraw/zinc/54/87/44/807548744.db2.gz DZGRXKOTLHOPPC-KGLIPLIRSA-N 1 1 288.372 3.320 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCCC3(CCCC3)C2)C1 ZINC001169011095 807551440 /nfs/dbraw/zinc/55/14/40/807551440.db2.gz IKEGUWPUUQDOHC-KBPBESRZSA-N 1 1 266.385 3.088 20 5 CGBDMO CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001169009038 807552062 /nfs/dbraw/zinc/55/20/62/807552062.db2.gz UMPJDMGKDGGBNX-OCCSQVGLSA-N 1 1 254.374 3.086 20 5 CGBDMO CC[N@@H+](Cc1cccc(F)c1F)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047018 807558472 /nfs/dbraw/zinc/55/84/72/807558472.db2.gz PQQYCQWUEJEOND-DGCLKSJQSA-N 1 1 298.333 3.232 20 5 CGBDMO CC[C@H]1CCC[N@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170344402 807827982 /nfs/dbraw/zinc/82/79/82/807827982.db2.gz BTKQFROSSIKTSR-OCCSQVGLSA-N 1 1 292.379 3.409 20 5 CGBDMO CCCC[N@@H+](C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173183789 808533233 /nfs/dbraw/zinc/53/32/33/808533233.db2.gz JKHZTDGPWDUDOM-LLVKDONJSA-N 1 1 298.358 3.405 20 5 CGBDMO CCC[N@@H+](C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173181664 808533562 /nfs/dbraw/zinc/53/35/62/808533562.db2.gz DAYXXTFHHVVPSS-SNVBAGLBSA-N 1 1 284.331 3.015 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001173221753 808540474 /nfs/dbraw/zinc/54/04/74/808540474.db2.gz LQDUWDHQQKZFRQ-KCPJHIHWSA-N 1 1 298.333 3.298 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001173221753 808540479 /nfs/dbraw/zinc/54/04/79/808540479.db2.gz LQDUWDHQQKZFRQ-KCPJHIHWSA-N 1 1 298.333 3.298 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccncc1 ZINC001173226654 808541399 /nfs/dbraw/zinc/54/13/99/808541399.db2.gz NFYHUYXUZZVLQR-CYBMUJFWSA-N 1 1 285.347 3.053 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCc1ccncc1 ZINC001173227276 808541549 /nfs/dbraw/zinc/54/15/49/808541549.db2.gz PDVXBIRVNPDBLI-CQSZACIVSA-N 1 1 299.374 3.095 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001173232363 808542664 /nfs/dbraw/zinc/54/26/64/808542664.db2.gz FRWGPWMDHNLXMC-DFBGVHRSSA-N 1 1 274.364 3.114 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC2CCC1CC2 ZINC001173235716 808545018 /nfs/dbraw/zinc/54/50/18/808545018.db2.gz YUXADZQYNPNIRF-LRVUVFPRSA-N 1 1 274.364 3.400 20 5 CGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](C2CCC2)C1 ZINC001195148272 811215918 /nfs/dbraw/zinc/21/59/18/811215918.db2.gz UNNDMHJXISSELM-CQSZACIVSA-N 1 1 290.363 3.096 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(C)(C)C[C@H]1C ZINC001195196672 811224909 /nfs/dbraw/zinc/22/49/09/811224909.db2.gz VVQCPGXDZVJRKT-LLVKDONJSA-N 1 1 278.352 3.224 20 5 CGBDMO Cc1cccc2[nH+]cc(Nc3cc(O)cc([N+](=O)[O-])c3)n21 ZINC001199828223 811600911 /nfs/dbraw/zinc/60/09/11/811600911.db2.gz CXAGYURNFRYJGE-UHFFFAOYSA-N 1 1 284.275 3.000 20 5 CGBDMO CCc1ccc(NCc2nc3cc([N+](=O)[O-])ccc3o2)[nH+]c1 ZINC001207283855 813534451 /nfs/dbraw/zinc/53/44/51/813534451.db2.gz QKWOHWPEOUSXGX-UHFFFAOYSA-N 1 1 298.302 3.306 20 5 CGBDMO CC(C)[NH+]1CC(Oc2cccc3nc4ccccc4nc32)C1 ZINC001228520755 817926688 /nfs/dbraw/zinc/92/66/88/817926688.db2.gz FXQOAUWSLUAQQE-UHFFFAOYSA-N 1 1 293.370 3.254 20 5 CGBDMO CC[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC001307703302 927955083 /nfs/dbraw/zinc/95/50/83/927955083.db2.gz RCMHKNGYGVQTJU-VHSXEESVSA-N 1 1 284.306 3.493 20 5 CGBDMO CC[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC001307703302 927955092 /nfs/dbraw/zinc/95/50/92/927955092.db2.gz RCMHKNGYGVQTJU-VHSXEESVSA-N 1 1 284.306 3.493 20 5 CGBDMO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001460708812 937541290 /nfs/dbraw/zinc/54/12/90/937541290.db2.gz MSNRVJXNXPYJNX-ZDUSSCGKSA-N 1 1 292.379 3.484 20 5 CGBDMO Cc1cc(O[C@H]2CCC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC001230477986 932575794 /nfs/dbraw/zinc/57/57/94/932575794.db2.gz RKHUHGNJXMUTIM-AWEZNQCLSA-N 1 1 292.379 3.463 20 5 CGBDMO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001230723937 932614516 /nfs/dbraw/zinc/61/45/16/932614516.db2.gz QQHCQOSVNSGBKS-BTTYYORXSA-N 1 1 290.363 3.216 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC3CCC2CC3)cs1 ZINC001320004617 933976920 /nfs/dbraw/zinc/97/69/20/933976920.db2.gz CJGGMHLSFSGZJL-UHFFFAOYSA-N 1 1 252.339 3.031 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC3CCC2CC3)cs1 ZINC001320004617 933976926 /nfs/dbraw/zinc/97/69/26/933976926.db2.gz CJGGMHLSFSGZJL-UHFFFAOYSA-N 1 1 252.339 3.031 20 5 CGBDMO C[N@H+]1CCN(c2ccccc2[N+](=O)[O-])CC12CCCCC2 ZINC001472787645 937784180 /nfs/dbraw/zinc/78/41/80/937784180.db2.gz SPZYYUDQDMYKBS-UHFFFAOYSA-N 1 1 289.379 3.050 20 5 CGBDMO CC(C)(C)SCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001325251727 934899501 /nfs/dbraw/zinc/89/95/01/934899501.db2.gz NZJBIOPVILXHBY-UHFFFAOYSA-N 1 1 294.420 3.485 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@]1(C)CCCCO1 ZINC001474516896 937864314 /nfs/dbraw/zinc/86/43/14/937864314.db2.gz LYNCCNBFYVZRFP-INIZCTEOSA-N 1 1 292.379 3.028 20 5 CGBDMO CO[C@@H](C)C[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C(C)C ZINC001560635590 938266780 /nfs/dbraw/zinc/26/67/80/938266780.db2.gz IGTHZJQROIUXIB-ZDUSSCGKSA-N 1 1 294.395 3.457 20 5 CGBDMO C[C@@H](C1CC1)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000124685810 187149130 /nfs/dbraw/zinc/14/91/30/187149130.db2.gz OIXQPIUAFRENFS-LBPRGKRZSA-N 1 1 278.352 3.094 20 5 CGBDMO CC(C)[N@H+]1CC[C@@H](CNc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000050352102 345081591 /nfs/dbraw/zinc/08/15/91/345081591.db2.gz YAKIEPLNMZJLBC-NSHDSACASA-N 1 1 297.786 3.390 20 5 CGBDMO CC[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000054174810 345130145 /nfs/dbraw/zinc/13/01/45/345130145.db2.gz JFIZNUKPCJAVAB-JTQLQIEISA-N 1 1 254.355 3.278 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000058933343 345204146 /nfs/dbraw/zinc/20/41/46/345204146.db2.gz RCCCTRWLSWEDOI-CYBMUJFWSA-N 1 1 278.352 3.096 20 5 CGBDMO CCn1cc(C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000072983321 345425592 /nfs/dbraw/zinc/42/55/92/345425592.db2.gz OFBUUFLGZXHZRF-LBPRGKRZSA-N 1 1 288.351 3.004 20 5 CGBDMO CCn1cc(C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000072983321 345425595 /nfs/dbraw/zinc/42/55/95/345425595.db2.gz OFBUUFLGZXHZRF-LBPRGKRZSA-N 1 1 288.351 3.004 20 5 CGBDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083216325 345725121 /nfs/dbraw/zinc/72/51/21/345725121.db2.gz BKQVAJNEUBEWFC-QWRGUYRKSA-N 1 1 289.335 3.356 20 5 CGBDMO Cc1cc(N[C@H]2CC[N@H+]3CCCC[C@H]23)c(F)cc1[N+](=O)[O-] ZINC000314747076 346482733 /nfs/dbraw/zinc/48/27/33/346482733.db2.gz QNACKZAXFVCWJC-GXTWGEPZSA-N 1 1 293.342 3.081 20 5 CGBDMO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593674093 347102596 /nfs/dbraw/zinc/10/25/96/347102596.db2.gz NODKKGUXFMUTRD-GTBONMDNSA-N 1 1 290.363 3.109 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593660829 347102197 /nfs/dbraw/zinc/10/21/97/347102197.db2.gz SEKZFFKLJUQZNX-MRXNPFEDSA-N 1 1 292.379 3.293 20 5 CGBDMO O=[N+]([O-])c1ccccc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594597956 347199509 /nfs/dbraw/zinc/19/95/09/347199509.db2.gz FKRKGAOQFQVELJ-JSGCOSHPSA-N 1 1 275.352 3.024 20 5 CGBDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000594999773 347252858 /nfs/dbraw/zinc/25/28/58/347252858.db2.gz DQPCCDMFAMOOPC-UHFFFAOYSA-N 1 1 293.411 3.113 20 5 CGBDMO CCCN(C)CC(C)(C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000594999773 347252861 /nfs/dbraw/zinc/25/28/61/347252861.db2.gz DQPCCDMFAMOOPC-UHFFFAOYSA-N 1 1 293.411 3.113 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000595108440 347284983 /nfs/dbraw/zinc/28/49/83/347284983.db2.gz PWVFBRWRPURJEH-NEPJUHHUSA-N 1 1 288.351 3.049 20 5 CGBDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595304449 347289932 /nfs/dbraw/zinc/28/99/32/347289932.db2.gz FSQJRYZISMTWJM-GFCCVEGCSA-N 1 1 252.289 3.108 20 5 CGBDMO C[C@H]1CCCC[C@@H]1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595425934 347301467 /nfs/dbraw/zinc/30/14/67/347301467.db2.gz VKRQNFQUROYHBB-QWHCGFSZSA-N 1 1 289.379 3.174 20 5 CGBDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595386757 347297301 /nfs/dbraw/zinc/29/73/01/347297301.db2.gz RJMROGYQPCEVNU-JQWIXIFHSA-N 1 1 281.356 3.292 20 5 CGBDMO CCC[N@@H+]1CC[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000595096817 347282845 /nfs/dbraw/zinc/28/28/45/347282845.db2.gz MLILFRNFSCCVBJ-KBPBESRZSA-N 1 1 291.395 3.038 20 5 CGBDMO CCC[N@H+]1CC[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000595096817 347282847 /nfs/dbraw/zinc/28/28/47/347282847.db2.gz MLILFRNFSCCVBJ-KBPBESRZSA-N 1 1 291.395 3.038 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000339289536 215070191 /nfs/dbraw/zinc/07/01/91/215070191.db2.gz KWXWBZFARXLGAM-INIZCTEOSA-N 1 1 285.347 3.303 20 5 CGBDMO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CCC1 ZINC000595467651 347307438 /nfs/dbraw/zinc/30/74/38/347307438.db2.gz SMAMDVCBHWPCRZ-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO CC(C)O[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595557780 347319030 /nfs/dbraw/zinc/31/90/30/347319030.db2.gz KCMPZLAVUQXLHJ-AWEZNQCLSA-N 1 1 296.342 3.123 20 5 CGBDMO CC(C)O[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595557780 347319032 /nfs/dbraw/zinc/31/90/32/347319032.db2.gz KCMPZLAVUQXLHJ-AWEZNQCLSA-N 1 1 296.342 3.123 20 5 CGBDMO Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])s1 ZINC000596232842 347401711 /nfs/dbraw/zinc/40/17/11/347401711.db2.gz SWXPUUAOOVAURD-FOSCPWQOSA-N 1 1 295.408 3.026 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC1=CCSC1 ZINC000595887179 347369750 /nfs/dbraw/zinc/36/97/50/347369750.db2.gz BJANPONOWSKRAU-LLVKDONJSA-N 1 1 278.377 3.261 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC2CC1(C)C2 ZINC000595915118 347372627 /nfs/dbraw/zinc/37/26/27/347372627.db2.gz JJASYAGBEQQFLV-UHFFFAOYSA-N 1 1 290.363 3.366 20 5 CGBDMO Cc1noc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000595914785 347372779 /nfs/dbraw/zinc/37/27/79/347372779.db2.gz GMEACWXSMGLGMR-RYUDHWBXSA-N 1 1 279.340 3.046 20 5 CGBDMO O=[N+]([O-])c1cccc(C[NH+]2CC(Cc3ccsc3)C2)c1 ZINC000598679077 347677937 /nfs/dbraw/zinc/67/79/37/347677937.db2.gz WQNJGDNDYYKSBZ-UHFFFAOYSA-N 1 1 288.372 3.331 20 5 CGBDMO CCC(O)(CC)C[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000599673591 347764379 /nfs/dbraw/zinc/76/43/79/347764379.db2.gz QRVLMEUYSAMOGJ-ZDUSSCGKSA-N 1 1 294.395 3.447 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCC[C@H]2CCO2)C2CC2)c1 ZINC000602441721 347958839 /nfs/dbraw/zinc/95/88/39/347958839.db2.gz YATRQURNKGTLLY-INIZCTEOSA-N 1 1 290.363 3.128 20 5 CGBDMO Cc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])sn1 ZINC000602671791 348005604 /nfs/dbraw/zinc/00/56/04/348005604.db2.gz IMIDEKLOMQQNSY-UHFFFAOYSA-N 1 1 291.376 3.385 20 5 CGBDMO CC(C)(C)C1C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602689145 348009729 /nfs/dbraw/zinc/00/97/29/348009729.db2.gz SCOUNMJJUMMHGW-UHFFFAOYSA-N 1 1 289.335 3.214 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ccsc2[N+](=O)[O-])C1 ZINC000604433522 348120203 /nfs/dbraw/zinc/12/02/03/348120203.db2.gz UDGJLAPKNZRQPF-TXEJJXNPSA-N 1 1 297.424 3.436 20 5 CGBDMO C[C@@H](CNc1ccsc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000604432687 348120224 /nfs/dbraw/zinc/12/02/24/348120224.db2.gz QHAWCQPBOCGUHF-MNOVXSKESA-N 1 1 283.397 3.331 20 5 CGBDMO C[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000604487426 348121620 /nfs/dbraw/zinc/12/16/20/348121620.db2.gz IJTSSKSBMPABOK-ZDUSSCGKSA-N 1 1 262.353 3.259 20 5 CGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611319652 348438439 /nfs/dbraw/zinc/43/84/39/348438439.db2.gz KBZDSEBTFDEKQU-MNOVXSKESA-N 1 1 289.335 3.499 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC2(CC2)CC1 ZINC000611177746 348426435 /nfs/dbraw/zinc/42/64/35/348426435.db2.gz ZLBCVYITRIJTRI-UHFFFAOYSA-N 1 1 264.300 3.110 20 5 CGBDMO COCc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000271669336 191269326 /nfs/dbraw/zinc/26/93/26/191269326.db2.gz MQIYRJSQHLYZKN-NSHDSACASA-N 1 1 290.319 3.185 20 5 CGBDMO Cc1[nH+]ccn1CCCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000292559972 198332639 /nfs/dbraw/zinc/33/26/39/198332639.db2.gz SFXPGAPSKBZDFC-UHFFFAOYSA-N 1 1 294.742 3.255 20 5 CGBDMO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000424191238 236132148 /nfs/dbraw/zinc/13/21/48/236132148.db2.gz HAXADRQFEIJPKM-HZPDHXFCSA-N 1 1 286.306 3.322 20 5 CGBDMO CC(C)C[N@H+]1CC[C@@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000301607567 201092636 /nfs/dbraw/zinc/09/26/36/201092636.db2.gz NUBCLVFELAOYPS-LBPRGKRZSA-N 1 1 295.358 3.124 20 5 CGBDMO C[N@@H+](CCNc1sccc1[N+](=O)[O-])C1CCCCC1 ZINC000302009906 201296199 /nfs/dbraw/zinc/29/61/99/201296199.db2.gz YCAHTHSENYFIGG-UHFFFAOYSA-N 1 1 283.397 3.333 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccncc2F)cc1[N+](=O)[O-] ZINC000449176114 239223952 /nfs/dbraw/zinc/22/39/52/239223952.db2.gz SAZIIRDQHKZBMG-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@H](F)C3)o2)c1 ZINC000449385849 239374998 /nfs/dbraw/zinc/37/49/98/239374998.db2.gz GWBPGBWZUASABW-LBPRGKRZSA-N 1 1 290.294 3.399 20 5 CGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@H](F)C3)o2)c1 ZINC000449385849 239375004 /nfs/dbraw/zinc/37/50/04/239375004.db2.gz GWBPGBWZUASABW-LBPRGKRZSA-N 1 1 290.294 3.399 20 5 CGBDMO COC[C@@]1(C)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000451203130 240247284 /nfs/dbraw/zinc/24/72/84/240247284.db2.gz RDZIDVMXUBBTMH-AWEZNQCLSA-N 1 1 298.770 3.107 20 5 CGBDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000451203130 240247290 /nfs/dbraw/zinc/24/72/90/240247290.db2.gz RDZIDVMXUBBTMH-AWEZNQCLSA-N 1 1 298.770 3.107 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](C)(F)C1 ZINC000451112675 240218207 /nfs/dbraw/zinc/21/82/07/240218207.db2.gz IHDDMZWFVJUJEO-RISCZKNCSA-N 1 1 266.316 3.480 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](C)(F)C1 ZINC000451112675 240218212 /nfs/dbraw/zinc/21/82/12/240218212.db2.gz IHDDMZWFVJUJEO-RISCZKNCSA-N 1 1 266.316 3.480 20 5 CGBDMO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000451104686 240218265 /nfs/dbraw/zinc/21/82/65/240218265.db2.gz SDQBLYAEQYLTCJ-NWDGAFQWSA-N 1 1 286.335 3.105 20 5 CGBDMO CCC[N@H+]1CC[C@@H](CNc2c(C)cccc2[N+](=O)[O-])C1 ZINC000120602574 370784610 /nfs/dbraw/zinc/78/46/10/370784610.db2.gz FTXDCJWGZLNSIN-ZDUSSCGKSA-N 1 1 277.368 3.047 20 5 CGBDMO Cc1cc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461959059 242320237 /nfs/dbraw/zinc/32/02/37/242320237.db2.gz RUKMRZRIEKVZJT-QWRGUYRKSA-N 1 1 293.342 3.079 20 5 CGBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000463358966 242393056 /nfs/dbraw/zinc/39/30/56/242393056.db2.gz GIIUVLAIUIOXOD-UHFFFAOYSA-N 1 1 280.368 3.342 20 5 CGBDMO CCOc1cc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492719861 244013712 /nfs/dbraw/zinc/01/37/12/244013712.db2.gz GCYTWPGKBFKVLB-STQMWFEESA-N 1 1 292.379 3.471 20 5 CGBDMO CC(C)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000051735568 369455013 /nfs/dbraw/zinc/45/50/13/369455013.db2.gz DRQAHAVIKSYBKZ-UHFFFAOYSA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276285437 193270952 /nfs/dbraw/zinc/27/09/52/193270952.db2.gz GSYVMVOSKZWGDE-LLVKDONJSA-N 1 1 289.310 3.322 20 5 CGBDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276285437 193270954 /nfs/dbraw/zinc/27/09/54/193270954.db2.gz GSYVMVOSKZWGDE-LLVKDONJSA-N 1 1 289.310 3.322 20 5 CGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C1CC1 ZINC000068913572 369751156 /nfs/dbraw/zinc/75/11/56/369751156.db2.gz KKGKAAKEBZGSOQ-VIFPVBQESA-N 1 1 283.759 3.143 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000103482356 370330752 /nfs/dbraw/zinc/33/07/52/370330752.db2.gz KURPTRISJHXQRS-CQSZACIVSA-N 1 1 278.327 3.498 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC(C)(C)C1 ZINC000353308588 220019025 /nfs/dbraw/zinc/01/90/25/220019025.db2.gz XPHOBHAYDGJQDG-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000289746805 371809378 /nfs/dbraw/zinc/80/93/78/371809378.db2.gz FDVPFCMQXXXWQY-LBPRGKRZSA-N 1 1 293.367 3.044 20 5 CGBDMO CC[N@H+](CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000155854262 371947201 /nfs/dbraw/zinc/94/72/01/371947201.db2.gz PTOCFCRLDVYCFA-CYBMUJFWSA-N 1 1 291.395 3.038 20 5 CGBDMO CC[N@@H+](CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000155854262 371947206 /nfs/dbraw/zinc/94/72/06/371947206.db2.gz PTOCFCRLDVYCFA-CYBMUJFWSA-N 1 1 291.395 3.038 20 5 CGBDMO CC[N@@H+](CCc1nccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000159340887 372134409 /nfs/dbraw/zinc/13/44/09/372134409.db2.gz ZWBCDZFDSDTDKU-UHFFFAOYSA-N 1 1 291.376 3.116 20 5 CGBDMO CC[N@@H+](C[C@H](C)OC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000291329213 372160666 /nfs/dbraw/zinc/16/06/66/372160666.db2.gz VPEPLJWRIRLBQT-NWDGAFQWSA-N 1 1 266.341 3.013 20 5 CGBDMO CC[C@@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000429276596 372335448 /nfs/dbraw/zinc/33/54/48/372335448.db2.gz FFHKGEROJZWWBH-SNVBAGLBSA-N 1 1 254.717 3.233 20 5 CGBDMO CC[C@@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000429276596 372335451 /nfs/dbraw/zinc/33/54/51/372335451.db2.gz FFHKGEROJZWWBH-SNVBAGLBSA-N 1 1 254.717 3.233 20 5 CGBDMO C[C@H](O)C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000353457039 220094409 /nfs/dbraw/zinc/09/44/09/220094409.db2.gz YHCZUKBHESAPET-NSHDSACASA-N 1 1 298.408 3.172 20 5 CGBDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc([N+](=O)[O-])cc3)c2C[C@H]1C ZINC000295724507 372889534 /nfs/dbraw/zinc/88/95/34/372889534.db2.gz HHAGJCMAHKHBSA-VXGBXAGGSA-N 1 1 285.347 3.210 20 5 CGBDMO CS[C@@H]1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000449445155 373722531 /nfs/dbraw/zinc/72/25/31/373722531.db2.gz HEHMEBHCMKBTTN-INDWDQIESA-N 1 1 292.404 3.435 20 5 CGBDMO Cc1ccoc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289523528 197388464 /nfs/dbraw/zinc/38/84/64/197388464.db2.gz POIIJWCISKKBNC-UHFFFAOYSA-N 1 1 274.320 3.171 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccnc1 ZINC000182025873 374204422 /nfs/dbraw/zinc/20/44/22/374204422.db2.gz XJABRTWEINIKIJ-LBPRGKRZSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cccnc1 ZINC000182025873 374204428 /nfs/dbraw/zinc/20/44/28/374204428.db2.gz XJABRTWEINIKIJ-LBPRGKRZSA-N 1 1 271.320 3.183 20 5 CGBDMO Cc1cccc(C)c1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332527891 374579294 /nfs/dbraw/zinc/57/92/94/374579294.db2.gz PSNMBOPAJOHELD-UHFFFAOYSA-N 1 1 297.358 3.165 20 5 CGBDMO Cc1cccc(C)c1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332527891 374579301 /nfs/dbraw/zinc/57/93/01/374579301.db2.gz PSNMBOPAJOHELD-UHFFFAOYSA-N 1 1 297.358 3.165 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000463494551 374839280 /nfs/dbraw/zinc/83/92/80/374839280.db2.gz XALWCCJTRLZNTP-JTQLQIEISA-N 1 1 284.331 3.363 20 5 CGBDMO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000187845938 375105919 /nfs/dbraw/zinc/10/59/19/375105919.db2.gz JYBSDBLXCKVJOU-CMPLNLGQSA-N 1 1 286.335 3.105 20 5 CGBDMO C[C@H]1CCCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000187956383 375126752 /nfs/dbraw/zinc/12/67/52/375126752.db2.gz MWVBSOXJFPKSDJ-NSHDSACASA-N 1 1 289.335 3.358 20 5 CGBDMO CO[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C ZINC000189265719 375352067 /nfs/dbraw/zinc/35/20/67/375352067.db2.gz IHBYLZABFSPKMC-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C ZINC000189265719 375352077 /nfs/dbraw/zinc/35/20/77/375352077.db2.gz IHBYLZABFSPKMC-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC000508601699 375752974 /nfs/dbraw/zinc/75/29/74/375752974.db2.gz XVYIVKIFVDKHPI-UHFFFAOYSA-N 1 1 250.342 3.463 20 5 CGBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000536023638 376077151 /nfs/dbraw/zinc/07/71/51/376077151.db2.gz UMYFJYZEDZVAJE-HNNXBMFYSA-N 1 1 283.331 3.193 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217363499 376172968 /nfs/dbraw/zinc/17/29/68/376172968.db2.gz CNYJXGKZGJCLMR-OLZOCXBDSA-N 1 1 295.770 3.287 20 5 CGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000540054851 376354777 /nfs/dbraw/zinc/35/47/77/376354777.db2.gz CKVAGJMQTHVUMY-OLZOCXBDSA-N 1 1 278.352 3.237 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000541771027 376481592 /nfs/dbraw/zinc/48/15/92/376481592.db2.gz LBUYFUDIPQMSHN-YPMHNXCESA-N 1 1 262.353 3.381 20 5 CGBDMO COc1ccc(C[N@H+]2CC[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000542321849 376536122 /nfs/dbraw/zinc/53/61/22/376536122.db2.gz NKMVURNBSWHMDU-ZDUSSCGKSA-N 1 1 292.379 3.471 20 5 CGBDMO CC[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000542701869 376570906 /nfs/dbraw/zinc/57/09/06/376570906.db2.gz QQXRNIDQMHTOAK-LLVKDONJSA-N 1 1 250.342 3.381 20 5 CGBDMO CCCC[N@@H+](C)CCNc1cccc(OCC)c1[N+](=O)[O-] ZINC000545159131 376788680 /nfs/dbraw/zinc/78/86/80/376788680.db2.gz UUWYOOZDMTVDPQ-UHFFFAOYSA-N 1 1 295.383 3.137 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000246081262 376962233 /nfs/dbraw/zinc/96/22/33/376962233.db2.gz FIMMOOZBBLKDDI-HUUCEWRRSA-N 1 1 292.404 3.455 20 5 CGBDMO COC[C@@H]1CCCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000342711384 377749847 /nfs/dbraw/zinc/74/98/47/377749847.db2.gz AFQHTXPPEHPSMW-ZIAGYGMSSA-N 1 1 292.379 3.404 20 5 CGBDMO CSCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000343709030 378072699 /nfs/dbraw/zinc/07/26/99/378072699.db2.gz WYQICFMMIXUKIH-UHFFFAOYSA-N 1 1 288.800 3.433 20 5 CGBDMO CSCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000343709030 378072705 /nfs/dbraw/zinc/07/27/05/378072705.db2.gz WYQICFMMIXUKIH-UHFFFAOYSA-N 1 1 288.800 3.433 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CC2CCC2)C2CC2)cc1 ZINC000343920333 378134073 /nfs/dbraw/zinc/13/40/73/378134073.db2.gz ACXWWGYBAOTACJ-UHFFFAOYSA-N 1 1 260.337 3.359 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271054723 378441707 /nfs/dbraw/zinc/44/17/07/378441707.db2.gz CMKDOIVPSHKPFY-LLVKDONJSA-N 1 1 296.367 3.232 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000272586121 378671787 /nfs/dbraw/zinc/67/17/87/378671787.db2.gz WTBFDYRJSGBANW-HZSPNIEDSA-N 1 1 292.379 3.200 20 5 CGBDMO CC(C)c1ccc(C[N@@H+](C)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000348699022 379021696 /nfs/dbraw/zinc/02/16/96/379021696.db2.gz ABYXCSPLACYYIP-AWEZNQCLSA-N 1 1 292.379 3.329 20 5 CGBDMO COC[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266544471 190266191 /nfs/dbraw/zinc/26/61/91/190266191.db2.gz RJMNWEGTNOZKFU-CHWSQXEVSA-N 1 1 278.352 3.014 20 5 CGBDMO CO[C@@]1(C)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000280229180 379648909 /nfs/dbraw/zinc/64/89/09/379648909.db2.gz AGXXFNPHBDCGJY-INIZCTEOSA-N 1 1 292.379 3.294 20 5 CGBDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000377242779 379652543 /nfs/dbraw/zinc/65/25/43/379652543.db2.gz SNKXXGOQYVLBLY-GFCCVEGCSA-N 1 1 298.770 3.249 20 5 CGBDMO Cc1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000282379630 379907552 /nfs/dbraw/zinc/90/75/52/379907552.db2.gz FVNMGIBQCVPYHW-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO Cc1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000282379630 379907556 /nfs/dbraw/zinc/90/75/56/379907556.db2.gz FVNMGIBQCVPYHW-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000286112722 380160552 /nfs/dbraw/zinc/16/05/52/380160552.db2.gz VJTKOCAVOYUFMQ-UHFFFAOYSA-N 1 1 258.268 3.103 20 5 CGBDMO CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000286112722 380160555 /nfs/dbraw/zinc/16/05/55/380160555.db2.gz VJTKOCAVOYUFMQ-UHFFFAOYSA-N 1 1 258.268 3.103 20 5 CGBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000353963904 380256204 /nfs/dbraw/zinc/25/62/04/380256204.db2.gz YVKKIKLBBFSMSN-ZBFHGGJFSA-N 1 1 292.379 3.230 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCSC[C@@H]2C2CCC2)c1 ZINC000418132027 380709756 /nfs/dbraw/zinc/70/97/56/380709756.db2.gz XSCOVMUJKPDGSP-OAHLLOKOSA-N 1 1 292.404 3.312 20 5 CGBDMO COc1ccc(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000418125403 380708110 /nfs/dbraw/zinc/70/81/10/380708110.db2.gz JGDSWHJWLHINFM-QJPTWQEYSA-N 1 1 278.352 3.080 20 5 CGBDMO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000359838714 381372731 /nfs/dbraw/zinc/37/27/31/381372731.db2.gz CUGJJVWDYLVLCM-CYBMUJFWSA-N 1 1 298.342 3.378 20 5 CGBDMO C[C@@H]1COc2ccccc2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000359838714 381372734 /nfs/dbraw/zinc/37/27/34/381372734.db2.gz CUGJJVWDYLVLCM-CYBMUJFWSA-N 1 1 298.342 3.378 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000491894920 285154121 /nfs/dbraw/zinc/15/41/21/285154121.db2.gz RVCQHWCMRAWACV-CABZTGNLSA-N 1 1 266.728 3.233 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000491894920 285154125 /nfs/dbraw/zinc/15/41/25/285154125.db2.gz RVCQHWCMRAWACV-CABZTGNLSA-N 1 1 266.728 3.233 20 5 CGBDMO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000423357040 533450207 /nfs/dbraw/zinc/45/02/07/533450207.db2.gz KYKHSEHOELQVMI-GFCCVEGCSA-N 1 1 297.358 3.049 20 5 CGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000048273138 391997479 /nfs/dbraw/zinc/99/74/79/391997479.db2.gz BTIYLWNGNUISKQ-UHFFFAOYSA-N 1 1 285.347 3.400 20 5 CGBDMO CC[C@H](CSC)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000091100020 392229687 /nfs/dbraw/zinc/22/96/87/392229687.db2.gz ULQHSGTYITUGCP-GFCCVEGCSA-N 1 1 268.382 3.168 20 5 CGBDMO CSCC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000152310914 392504297 /nfs/dbraw/zinc/50/42/97/392504297.db2.gz CYCSMLFNTWRNEM-UHFFFAOYSA-N 1 1 274.773 3.043 20 5 CGBDMO CSCC[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000152310914 392504303 /nfs/dbraw/zinc/50/43/03/392504303.db2.gz CYCSMLFNTWRNEM-UHFFFAOYSA-N 1 1 274.773 3.043 20 5 CGBDMO COc1cc(C[NH+]2CCC3(CC3)CC2)c([N+](=O)[O-])cc1F ZINC000372002776 392574724 /nfs/dbraw/zinc/57/47/24/392574724.db2.gz KAEUWDLKLQJTPV-UHFFFAOYSA-N 1 1 294.326 3.119 20 5 CGBDMO C[C@H]1Cc2[nH+]cn(CCc3ccc([N+](=O)[O-])cc3)c2C[C@@H]1C ZINC000319810217 392670607 /nfs/dbraw/zinc/67/06/07/392670607.db2.gz RHJSGKDMGCCUDA-STQMWFEESA-N 1 1 299.374 3.405 20 5 CGBDMO CCC[NH+](CCC)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509310333 392743693 /nfs/dbraw/zinc/74/36/93/392743693.db2.gz NAUXSNIYUHDWKT-UHFFFAOYSA-N 1 1 272.295 3.495 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000248566141 393090343 /nfs/dbraw/zinc/09/03/43/393090343.db2.gz BTXRLUGKSBYIFS-CVEARBPZSA-N 1 1 290.363 3.047 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000248566141 393090347 /nfs/dbraw/zinc/09/03/47/393090347.db2.gz BTXRLUGKSBYIFS-CVEARBPZSA-N 1 1 290.363 3.047 20 5 CGBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000466821016 393060849 /nfs/dbraw/zinc/06/08/49/393060849.db2.gz GANLYISEMWTQCY-XPTSAGLGSA-N 1 1 295.770 3.143 20 5 CGBDMO CSC1(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000347600252 393107135 /nfs/dbraw/zinc/10/71/35/393107135.db2.gz ZUFXXXKWVBQBRG-UHFFFAOYSA-N 1 1 292.404 3.455 20 5 CGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000466906095 393066920 /nfs/dbraw/zinc/06/69/20/393066920.db2.gz YAMZEGJSZURQEL-CHWSQXEVSA-N 1 1 278.352 3.094 20 5 CGBDMO CC(C)c1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348561774 393125223 /nfs/dbraw/zinc/12/52/23/393125223.db2.gz YADMAZMRCZHOKQ-HOCLYGCPSA-N 1 1 292.379 3.063 20 5 CGBDMO C[C@@H](C1CC1)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000263633534 393153174 /nfs/dbraw/zinc/15/31/74/393153174.db2.gz QIKXXOINKKCFSH-HWPRWLFBSA-N 1 1 260.337 3.338 20 5 CGBDMO COc1cc(C[N@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000475725333 393413539 /nfs/dbraw/zinc/41/35/39/393413539.db2.gz YCWLQOLBIRWQCJ-JHJVBQTASA-N 1 1 292.379 3.470 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CC[C@H]([NH3+])C(C)C ZINC000420285546 393449891 /nfs/dbraw/zinc/44/98/91/393449891.db2.gz FBPVKKLLKLZDRL-CJNGLKHVSA-N 1 1 293.411 3.269 20 5 CGBDMO C[C@H]1C[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000488356807 393495858 /nfs/dbraw/zinc/49/58/58/393495858.db2.gz OAALVAWDCQVURM-AAEUAGOBSA-N 1 1 260.337 3.215 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H](C)C(C)C ZINC000430225543 393543681 /nfs/dbraw/zinc/54/36/81/393543681.db2.gz YIACDKXQFTUWIV-GFCCVEGCSA-N 1 1 280.368 3.470 20 5 CGBDMO COc1ccc(C[N@@H+]2CC(C)=C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000430283061 393558659 /nfs/dbraw/zinc/55/86/59/393558659.db2.gz HZKZXYPWLGBQTE-LLVKDONJSA-N 1 1 276.336 3.001 20 5 CGBDMO CC1=C[C@@H](C)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430283566 393557206 /nfs/dbraw/zinc/55/72/06/393557206.db2.gz ZOMMGIHNTXUXCF-SNVBAGLBSA-N 1 1 264.300 3.132 20 5 CGBDMO CC1=C[C@@H](C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430283566 393557209 /nfs/dbraw/zinc/55/72/09/393557209.db2.gz ZOMMGIHNTXUXCF-SNVBAGLBSA-N 1 1 264.300 3.132 20 5 CGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1(C)CCCC1 ZINC000489878158 393619032 /nfs/dbraw/zinc/61/90/32/393619032.db2.gz ZJARDMYZOKJHAD-UHFFFAOYSA-N 1 1 278.352 3.238 20 5 CGBDMO CCOc1cc(C[N@@H+](CC)CC2CC2)ccc1[N+](=O)[O-] ZINC000492608860 393760997 /nfs/dbraw/zinc/76/09/97/393760997.db2.gz RHLAPMIOMGPWII-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493278954 393769976 /nfs/dbraw/zinc/76/99/76/393769976.db2.gz GJRXPHYGLREQLZ-VIFPVBQESA-N 1 1 254.717 3.090 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H](C)C(C)C ZINC000489197575 397708062 /nfs/dbraw/zinc/70/80/62/397708062.db2.gz OJJJWUZPKUXWJS-GFCCVEGCSA-N 1 1 280.368 3.470 20 5 CGBDMO Cc1noc(C)c1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000091437034 165264112 /nfs/dbraw/zinc/26/41/12/165264112.db2.gz OCGWYQDPFXDISN-SECBINFHSA-N 1 1 275.308 3.050 20 5 CGBDMO CC1(C)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000093504317 287117184 /nfs/dbraw/zinc/11/71/84/287117184.db2.gz SGJSFTNPBOCZEL-FNORWQNLSA-N 1 1 292.404 3.435 20 5 CGBDMO Cc1c(C[NH2+][C@@H](C)c2ccco2)cccc1[N+](=O)[O-] ZINC000035739293 172393565 /nfs/dbraw/zinc/39/35/65/172393565.db2.gz XNWNKPTUMXWCFW-NSHDSACASA-N 1 1 260.293 3.347 20 5 CGBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000285439497 196285153 /nfs/dbraw/zinc/28/51/53/196285153.db2.gz CUGAXYXOJCSLDB-DGCLKSJQSA-N 1 1 298.408 3.172 20 5 CGBDMO C[C@@H](NC[C@H](C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000038028722 174017550 /nfs/dbraw/zinc/01/75/50/174017550.db2.gz PTSWCXWVMDIQSX-UONOGXRCSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@H](NC[C@H](C)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000038028836 174018884 /nfs/dbraw/zinc/01/88/84/174018884.db2.gz XGOJFKQEHGHESM-KBPBESRZSA-N 1 1 291.395 3.120 20 5 CGBDMO Cc1csc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000038090880 174104682 /nfs/dbraw/zinc/10/46/82/174104682.db2.gz PLRXHWBTGAXWAP-SNVBAGLBSA-N 1 1 277.349 3.211 20 5 CGBDMO Cc1csc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000038090879 174104739 /nfs/dbraw/zinc/10/47/39/174104739.db2.gz PLRXHWBTGAXWAP-JTQLQIEISA-N 1 1 277.349 3.211 20 5 CGBDMO CC(C)[N@H+]1CC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000045652544 175381666 /nfs/dbraw/zinc/38/16/66/175381666.db2.gz JBYXNRJUHKQYLA-LLVKDONJSA-N 1 1 283.759 3.143 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](C)[N@H+](C)C1CC1 ZINC000130965282 287367700 /nfs/dbraw/zinc/36/77/00/287367700.db2.gz XGKLEYHYXGDJPO-QWHCGFSZSA-N 1 1 291.395 3.037 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000130965282 287367704 /nfs/dbraw/zinc/36/77/04/287367704.db2.gz XGKLEYHYXGDJPO-QWHCGFSZSA-N 1 1 291.395 3.037 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000525997431 270121961 /nfs/dbraw/zinc/12/19/61/270121961.db2.gz RVPGQSFEUXBTAJ-UUSKSKHGSA-N 1 1 260.337 3.481 20 5 CGBDMO COc1ccc(C[N@H+]2CC[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000532780097 270219347 /nfs/dbraw/zinc/21/93/47/270219347.db2.gz SMNJJIFITOPBMQ-QWHCGFSZSA-N 1 1 292.379 3.471 20 5 CGBDMO COc1ccc(C[N@@H+](C)[C@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000532928265 270219697 /nfs/dbraw/zinc/21/96/97/270219697.db2.gz IXBFTBSVOIQTBS-LLVKDONJSA-N 1 1 280.368 3.470 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1Cc3ccccc31)CC2 ZINC000347039173 275037759 /nfs/dbraw/zinc/03/77/59/275037759.db2.gz VYDGUMFCZSYGCB-INIZCTEOSA-N 1 1 294.354 3.293 20 5 CGBDMO CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000516219083 288128813 /nfs/dbraw/zinc/12/88/13/288128813.db2.gz RAPQCLRNRYWLBS-KBPBESRZSA-N 1 1 293.411 3.366 20 5 CGBDMO CCCN(CC)C[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000516219083 288128815 /nfs/dbraw/zinc/12/88/15/288128815.db2.gz RAPQCLRNRYWLBS-KBPBESRZSA-N 1 1 293.411 3.366 20 5 CGBDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000348250413 280108929 /nfs/dbraw/zinc/10/89/29/280108929.db2.gz YWNPMGCBRHQUBY-GXSJLCMTSA-N 1 1 288.269 3.368 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H](C)CC ZINC000556379653 289388839 /nfs/dbraw/zinc/38/88/39/289388839.db2.gz NEHRLZIOPWVSEZ-LBPRGKRZSA-N 1 1 280.368 3.471 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(NCc2c[nH+]c3n2CCCC3)c1 ZINC000561351318 289635431 /nfs/dbraw/zinc/63/54/31/289635431.db2.gz GEMOPUCUPDDLPD-UHFFFAOYSA-N 1 1 286.335 3.048 20 5 CGBDMO Cn1c[nH+]cc1CCCSCc1ccc([N+](=O)[O-])cc1 ZINC000573103962 322370607 /nfs/dbraw/zinc/37/06/07/322370607.db2.gz HWCGHLBJLZHRDH-UHFFFAOYSA-N 1 1 291.376 3.194 20 5 CGBDMO Cc1cc(N[C@@H](C)C[N@H+](C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000380681843 336016543 /nfs/dbraw/zinc/01/65/43/336016543.db2.gz CJQBHUBHZMAZNR-NSHDSACASA-N 1 1 283.347 3.183 20 5 CGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000384261844 336123111 /nfs/dbraw/zinc/12/31/11/336123111.db2.gz LNVMFJQSPINPQT-HZMBPMFUSA-N 1 1 266.316 3.354 20 5 CGBDMO Cc1occc1C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000055054847 526823045 /nfs/dbraw/zinc/82/30/45/526823045.db2.gz JJUPJJZTFDAUNH-UHFFFAOYSA-N 1 1 274.320 3.437 20 5 CGBDMO Cc1occc1C[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000055054847 526823051 /nfs/dbraw/zinc/82/30/51/526823051.db2.gz JJUPJJZTFDAUNH-UHFFFAOYSA-N 1 1 274.320 3.437 20 5 CGBDMO CC(C)([NH2+]Cc1ccncc1F)c1ccc([N+](=O)[O-])cc1 ZINC000449245070 527295929 /nfs/dbraw/zinc/29/59/29/527295929.db2.gz YBOLKPDUDOUWST-UHFFFAOYSA-N 1 1 289.310 3.154 20 5 CGBDMO O=[N+]([O-])c1cccc(CNc2[nH]c3ccc(F)cc3[nH+]2)c1 ZINC000143385796 527387619 /nfs/dbraw/zinc/38/76/19/527387619.db2.gz GVMQLVGZKDWSHH-UHFFFAOYSA-N 1 1 286.266 3.222 20 5 CGBDMO CCC[N@@H+](CC)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000156790214 527978863 /nfs/dbraw/zinc/97/88/63/527978863.db2.gz WGCBOASAGPQRTH-AWEZNQCLSA-N 1 1 293.411 3.286 20 5 CGBDMO CCCN(CC)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000156790214 527978869 /nfs/dbraw/zinc/97/88/69/527978869.db2.gz WGCBOASAGPQRTH-AWEZNQCLSA-N 1 1 293.411 3.286 20 5 CGBDMO CC(C)C[C@H]1CCCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176260512 528584107 /nfs/dbraw/zinc/58/41/07/528584107.db2.gz LNHORNBZSIXSFI-CQSZACIVSA-N 1 1 294.399 3.082 20 5 CGBDMO C[C@@H]1CCCCC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000738227756 572367858 /nfs/dbraw/zinc/36/78/58/572367858.db2.gz YYTMXAWEQVBEFT-GFCCVEGCSA-N 1 1 288.351 3.167 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC3(CCCC3)C2)cc1 ZINC000743863885 572692605 /nfs/dbraw/zinc/69/26/05/572692605.db2.gz AYKJCGHIDWWAEV-UHFFFAOYSA-N 1 1 274.364 3.403 20 5 CGBDMO CC(C)CC[N@@H+](Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000746063729 572849357 /nfs/dbraw/zinc/84/93/57/572849357.db2.gz BZZHKAWUKXRUBM-UHFFFAOYSA-N 1 1 280.372 3.040 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894498949 619553975 /nfs/dbraw/zinc/55/39/75/619553975.db2.gz MIRCELAJBQCHFX-CMPLNLGQSA-N 1 1 294.351 3.072 20 5 CGBDMO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nn1C ZINC000903288561 621671688 /nfs/dbraw/zinc/67/16/88/621671688.db2.gz YMPJNRBXELCIKU-VXGBXAGGSA-N 1 1 288.351 3.049 20 5 CGBDMO CCCC[N@@H+](CC)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761281504 627030439 /nfs/dbraw/zinc/03/04/39/627030439.db2.gz VEDXEITXTRZHHF-UHFFFAOYSA-N 1 1 290.367 3.332 20 5 CGBDMO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000779127721 628389604 /nfs/dbraw/zinc/38/96/04/628389604.db2.gz JNIGDLWEWISBJE-QMMMGPOBSA-N 1 1 294.742 3.131 20 5 CGBDMO C[C@@H]1CCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865565373 630191869 /nfs/dbraw/zinc/19/18/69/630191869.db2.gz WNRYNGFOKLCIMH-SNVBAGLBSA-N 1 1 299.321 3.429 20 5 CGBDMO CC(C)(C)SCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000801936267 630370295 /nfs/dbraw/zinc/37/02/95/630370295.db2.gz LSLDNBIPIMBZML-UHFFFAOYSA-N 1 1 294.420 3.485 20 5 CGBDMO C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872092554 634017719 /nfs/dbraw/zinc/01/77/19/634017719.db2.gz OXHHYTJCGPRPLA-ZXFLCMHBSA-N 1 1 292.232 3.335 20 5 CGBDMO COC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000832605707 634074542 /nfs/dbraw/zinc/07/45/42/634074542.db2.gz LTEBFMWQGOAMAA-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO COC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000832605707 634074545 /nfs/dbraw/zinc/07/45/45/634074545.db2.gz LTEBFMWQGOAMAA-ZDUSSCGKSA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CF)C1 ZINC000880232109 635944562 /nfs/dbraw/zinc/94/45/62/635944562.db2.gz GXLTUGSHVZIFNL-NWDGAFQWSA-N 1 1 266.316 3.337 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000886052346 637390542 /nfs/dbraw/zinc/39/05/42/637390542.db2.gz ORWLCNIXJDJALI-OAHLLOKOSA-N 1 1 299.330 3.033 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000886052346 637390546 /nfs/dbraw/zinc/39/05/46/637390546.db2.gz ORWLCNIXJDJALI-OAHLLOKOSA-N 1 1 299.330 3.033 20 5 CGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000886267172 637472976 /nfs/dbraw/zinc/47/29/76/637472976.db2.gz HOALSCWCYHEPLA-CQSZACIVSA-N 1 1 275.352 3.144 20 5 CGBDMO Cc1nnsc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000930236834 638985094 /nfs/dbraw/zinc/98/50/94/638985094.db2.gz ZJDOIBAMOUNTHI-DTWKUNHWSA-N 1 1 292.364 3.167 20 5 CGBDMO CC(C)(C)OC[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000932163913 639282300 /nfs/dbraw/zinc/28/23/00/639282300.db2.gz PTBDXWQFCSSPSB-CQSZACIVSA-N 1 1 292.379 3.374 20 5 CGBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)CC[N@H+]1C ZINC000158432553 640005414 /nfs/dbraw/zinc/00/54/14/640005414.db2.gz AUVZPQAAGVOTAA-VHSXEESVSA-N 1 1 299.321 3.427 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C ZINC000246460097 640675134 /nfs/dbraw/zinc/67/51/34/640675134.db2.gz CGRYDWKCSYITJC-UWVGGRQHSA-N 1 1 268.744 3.479 20 5 CGBDMO CC1(C)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC001252638744 806097331 /nfs/dbraw/zinc/09/73/31/806097331.db2.gz XWEJTMUJYBEMFA-UHFFFAOYSA-N 1 1 278.352 3.094 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC1(C)C ZINC001254550713 806447907 /nfs/dbraw/zinc/44/79/07/806447907.db2.gz PJWFWJSCURTHRA-LBPRGKRZSA-N 1 1 262.353 3.400 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](C)(F)C1 ZINC001254553777 806449376 /nfs/dbraw/zinc/44/93/76/806449376.db2.gz YXXCTCVPKRZBLI-IUODEOHRSA-N 1 1 280.343 3.350 20 5 CGBDMO CC[C@@H]1CCC[N@H+]1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254562421 806451372 /nfs/dbraw/zinc/45/13/72/806451372.db2.gz MFHTYBQNZZPVPW-TZMCWYRMSA-N 1 1 262.353 3.400 20 5 CGBDMO CC[C@@H]1CC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254568422 806452818 /nfs/dbraw/zinc/45/28/18/806452818.db2.gz FQVSMQAYHBFTEP-QWHCGFSZSA-N 1 1 262.353 3.258 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)CC12CC2 ZINC001254566177 806453016 /nfs/dbraw/zinc/45/30/16/806453016.db2.gz RJLFAXMMPGOYFA-STQMWFEESA-N 1 1 274.364 3.400 20 5 CGBDMO C[N@@H+](Cc1cccs1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601344 806458427 /nfs/dbraw/zinc/45/84/27/806458427.db2.gz YKECROYTXCPJGX-AWEZNQCLSA-N 1 1 288.372 3.256 20 5 CGBDMO CCCCC[N@@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601056 806458846 /nfs/dbraw/zinc/45/88/46/806458846.db2.gz XTKIAENVRYKSPI-OAHLLOKOSA-N 1 1 262.353 3.184 20 5 CGBDMO CCCC[N@@H+](C)CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC001162471892 806593603 /nfs/dbraw/zinc/59/36/03/806593603.db2.gz ZQGFJZMDLPOMTA-UHFFFAOYSA-N 1 1 285.775 3.392 20 5 CGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC001163419889 806762327 /nfs/dbraw/zinc/76/23/27/806762327.db2.gz TUVXDYKJZPXFGN-CYBMUJFWSA-N 1 1 279.384 3.436 20 5 CGBDMO CCc1[nH+]c(C)cn1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000715115939 800131387 /nfs/dbraw/zinc/13/13/87/800131387.db2.gz SLINPHHNXIXPLM-UHFFFAOYSA-N 1 1 279.727 3.364 20 5 CGBDMO CSCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000719317328 800236984 /nfs/dbraw/zinc/23/69/84/800236984.db2.gz XYTQYVFSRRZLRD-UHFFFAOYSA-N 1 1 298.383 3.309 20 5 CGBDMO Cc1c(NCC[C@H]2CCC[N@H+](C)C2)cc(F)cc1[N+](=O)[O-] ZINC001165279591 806985938 /nfs/dbraw/zinc/98/59/38/806985938.db2.gz WLOMDCKYEGWVCR-GFCCVEGCSA-N 1 1 295.358 3.186 20 5 CGBDMO CC(C)P(CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)C ZINC001169001254 807549383 /nfs/dbraw/zinc/54/93/83/807549383.db2.gz DZGRXKOTLHOPPC-UONOGXRCSA-N 1 1 288.372 3.320 20 5 CGBDMO C[N@@H+](CCc1cccc(Cl)c1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036437 807555930 /nfs/dbraw/zinc/55/59/30/807555930.db2.gz OLKJUNZEJPYAMN-DZGCQCFKSA-N 1 1 296.798 3.260 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC=C(c3ccccc3)CC2)C1 ZINC001169039928 807557650 /nfs/dbraw/zinc/55/76/50/807557650.db2.gz VXJYWEMIROZTON-WMLDXEAASA-N 1 1 286.375 3.221 20 5 CGBDMO CCCC[N@@H+](C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170329527 807826186 /nfs/dbraw/zinc/82/61/86/807826186.db2.gz QMYFKOCSPUVXGC-LBPRGKRZSA-N 1 1 280.368 3.266 20 5 CGBDMO CC[N@@H+](Cc1cccnc1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173227066 808541907 /nfs/dbraw/zinc/54/19/07/808541907.db2.gz NIAHMIBFSGJXMV-CQSZACIVSA-N 1 1 299.374 3.443 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](F)CC1 ZINC001173229398 808543230 /nfs/dbraw/zinc/54/32/30/808543230.db2.gz UEGFEJBNKVNYBA-OCCSQVGLSA-N 1 1 280.343 3.350 20 5 CGBDMO CC[C@@H]1CC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173236878 808546225 /nfs/dbraw/zinc/54/62/25/808546225.db2.gz FRAGMPMYUYZCBS-QWHCGFSZSA-N 1 1 262.353 3.258 20 5 CGBDMO COc1cc[nH+]c(Nc2ccc(/C=C/[N+](=O)[O-])cc2)c1 ZINC001175900673 809566894 /nfs/dbraw/zinc/56/68/94/809566894.db2.gz SLHUFBFHDSHGOD-VQHVLOKHSA-N 1 1 271.276 3.081 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)CCNc1cc(C)sc1[N+](=O)[O-] ZINC001185204811 810245084 /nfs/dbraw/zinc/24/50/84/810245084.db2.gz SOYDXFYZLZSDSM-SECBINFHSA-N 1 1 271.386 3.107 20 5 CGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC001186601536 810349825 /nfs/dbraw/zinc/34/98/25/810349825.db2.gz FHLVKTXMVWWTSK-LLVKDONJSA-N 1 1 283.347 3.266 20 5 CGBDMO Cc1cn2cc(Nc3cccc([N+](=O)[O-])c3F)ccc2[nH+]1 ZINC001210380468 814434686 /nfs/dbraw/zinc/43/46/86/814434686.db2.gz CLVRZZLYWCWGGU-UHFFFAOYSA-N 1 1 286.266 3.434 20 5 CGBDMO C[C@@H](OC1C[NH+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC001223430669 816629651 /nfs/dbraw/zinc/62/96/51/816629651.db2.gz PORGOJBOLXYMGI-LLVKDONJSA-N 1 1 278.352 3.155 20 5 CGBDMO CC(C)[N@H+]1CC[C@@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001225713319 817153924 /nfs/dbraw/zinc/15/39/24/817153924.db2.gz RXLMKPVXEXLLHF-LLVKDONJSA-N 1 1 284.743 3.110 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CC[N@H+](C(C)C)C1 ZINC001226989822 817527127 /nfs/dbraw/zinc/52/71/27/817527127.db2.gz OQQKVPNWZMLAAM-NSHDSACASA-N 1 1 298.770 3.418 20 5 CGBDMO CC[N@H+]1CC[C@@H](Oc2c(C)ccc([N+](=O)[O-])c2Cl)C1 ZINC001226990717 817527179 /nfs/dbraw/zinc/52/71/79/817527179.db2.gz XTXRQCQRQNVNIO-SNVBAGLBSA-N 1 1 284.743 3.030 20 5 CGBDMO C[N@H+]1CCC[C@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC001228255227 817851463 /nfs/dbraw/zinc/85/14/63/817851463.db2.gz FDLCWEIHJMIMNI-LBPRGKRZSA-N 1 1 284.743 3.111 20 5 CGBDMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001330089357 935268189 /nfs/dbraw/zinc/26/81/89/935268189.db2.gz LPKAKFQHZCHPJG-STQMWFEESA-N 1 1 298.383 3.450 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1CC1(C)C ZINC001460511941 937533162 /nfs/dbraw/zinc/53/31/62/937533162.db2.gz ATXCUGHHEIKCOA-GFCCVEGCSA-N 1 1 278.352 3.081 20 5 CGBDMO C[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001460708808 937540732 /nfs/dbraw/zinc/54/07/32/937540732.db2.gz MSNRVJXNXPYJNX-CYBMUJFWSA-N 1 1 292.379 3.484 20 5 CGBDMO Cc1ccc(O[C@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001230146822 932537136 /nfs/dbraw/zinc/53/71/36/932537136.db2.gz XTCDFNXQJOZFAO-ZDUSSCGKSA-N 1 1 278.352 3.155 20 5 CGBDMO Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](C)CC1 ZINC001231058557 932668871 /nfs/dbraw/zinc/66/88/71/932668871.db2.gz BEUBIYSRFGCHRS-CYBMUJFWSA-N 1 1 278.352 3.075 20 5 CGBDMO C[C@H](Cc1cccs1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC001307518816 932965006 /nfs/dbraw/zinc/96/50/06/932965006.db2.gz ILRIZLMUCCDFIT-LLVKDONJSA-N 1 1 291.376 3.114 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC001307875179 933014047 /nfs/dbraw/zinc/01/40/47/933014047.db2.gz WSVJKUNXWAUXKL-WFASDCNBSA-N 1 1 290.363 3.368 20 5 CGBDMO CCN(CC)[C@H](C)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001308391196 933104779 /nfs/dbraw/zinc/10/47/79/933104779.db2.gz DKCUELZEEYZXHO-CYBMUJFWSA-N 1 1 293.411 3.032 20 5 CGBDMO CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC001559155392 938221435 /nfs/dbraw/zinc/22/14/35/938221435.db2.gz HKLKYQFMGBLJER-MNOVXSKESA-N 1 1 297.786 3.167 20 5 CGBDMO CC[C@H]1C[N@@H+](C)CCCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC001559223919 938222920 /nfs/dbraw/zinc/22/29/20/938222920.db2.gz PSVSJFIILZATHA-LBPRGKRZSA-N 1 1 297.786 3.169 20 5 CGBDMO Cc1ccc(C[N@H+](CC[N+](=O)[O-])CC(C)C)c(C)c1 ZINC001559935785 938239414 /nfs/dbraw/zinc/23/94/14/938239414.db2.gz TYQHMKGHQRICKI-UHFFFAOYSA-N 1 1 264.369 3.038 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590599194 346853818 /nfs/dbraw/zinc/85/38/18/346853818.db2.gz BWWFHRMVXNKKFV-CQSZACIVSA-N 1 1 297.358 3.369 20 5 CGBDMO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297163710 282223050 /nfs/dbraw/zinc/22/30/50/282223050.db2.gz CZMBTXKAOBZBOX-JQWIXIFHSA-N 1 1 286.335 3.105 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000593116561 347041398 /nfs/dbraw/zinc/04/13/98/347041398.db2.gz MJDRTKPUVPBQBY-CYBMUJFWSA-N 1 1 282.290 3.134 20 5 CGBDMO C[NH2+]Cc1ccccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000593321944 347062980 /nfs/dbraw/zinc/06/29/80/347062980.db2.gz JXFNXPHMPOHNFO-ZDUSSCGKSA-N 1 1 299.374 3.165 20 5 CGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccsc1 ZINC000046054356 345033541 /nfs/dbraw/zinc/03/35/41/345033541.db2.gz BZJDTYNWYUNQSU-UHFFFAOYSA-N 1 1 292.360 3.167 20 5 CGBDMO COc1ccc(C[N@H+](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000051455386 345090670 /nfs/dbraw/zinc/09/06/70/345090670.db2.gz IBPJBGNAEULSRE-UHFFFAOYSA-N 1 1 292.360 3.297 20 5 CGBDMO COc1ccc(C[N@@H+](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000051455386 345090672 /nfs/dbraw/zinc/09/06/72/345090672.db2.gz IBPJBGNAEULSRE-UHFFFAOYSA-N 1 1 292.360 3.297 20 5 CGBDMO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000054175477 345130110 /nfs/dbraw/zinc/13/01/10/345130110.db2.gz KPCLLUNULWJMRM-UHFFFAOYSA-N 1 1 254.355 3.421 20 5 CGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000059371955 345207629 /nfs/dbraw/zinc/20/76/29/345207629.db2.gz HZDTWYVZTFAXEF-BETUJISGSA-N 1 1 262.353 3.115 20 5 CGBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000075021391 345489542 /nfs/dbraw/zinc/48/95/42/345489542.db2.gz YNWYLLYADASUDL-ONGXEEELSA-N 1 1 254.355 3.277 20 5 CGBDMO COC[C@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075742247 345521768 /nfs/dbraw/zinc/52/17/68/345521768.db2.gz RJMNWEGTNOZKFU-OLZOCXBDSA-N 1 1 278.352 3.014 20 5 CGBDMO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000092332080 345836128 /nfs/dbraw/zinc/83/61/28/345836128.db2.gz UPVQOIUCLIPOJK-SNVBAGLBSA-N 1 1 289.335 3.359 20 5 CGBDMO CCSCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135232199 346086886 /nfs/dbraw/zinc/08/68/86/346086886.db2.gz SVBGHWWRDFHLBJ-UHFFFAOYSA-N 1 1 280.393 3.312 20 5 CGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000141234489 346107700 /nfs/dbraw/zinc/10/77/00/346107700.db2.gz KWKSRYZTXAZRDQ-UHFFFAOYSA-N 1 1 282.343 3.194 20 5 CGBDMO Cc1ccc(C[N@@H+]2CCC[C@@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000593655908 347100825 /nfs/dbraw/zinc/10/08/25/347100825.db2.gz FQVKBOWMDRDTJI-OAHLLOKOSA-N 1 1 292.379 3.293 20 5 CGBDMO CC(C)[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595289035 347286497 /nfs/dbraw/zinc/28/64/97/347286497.db2.gz CEVXHZXSTWHEEV-UHFFFAOYSA-N 1 1 252.289 3.107 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000595755011 347350766 /nfs/dbraw/zinc/35/07/66/347350766.db2.gz DYANTAUYSCFVAO-GFCCVEGCSA-N 1 1 266.316 3.166 20 5 CGBDMO Cc1noc(C[NH+]2CC(C)(C)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000595443625 347304385 /nfs/dbraw/zinc/30/43/85/347304385.db2.gz WVNXYZMZZYZHRC-UHFFFAOYSA-N 1 1 281.356 3.149 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000595450599 347305260 /nfs/dbraw/zinc/30/52/60/347305260.db2.gz VAHSHNZDJOMXJO-GXFFZTMASA-N 1 1 264.300 3.108 20 5 CGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCC1CCC1 ZINC000595478163 347309391 /nfs/dbraw/zinc/30/93/91/347309391.db2.gz YHFYZOFCRVZMDR-UHFFFAOYSA-N 1 1 262.353 3.259 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595810363 347357384 /nfs/dbraw/zinc/35/73/84/347357384.db2.gz XBAIZXWQJFBQPM-CHWSQXEVSA-N 1 1 290.363 3.224 20 5 CGBDMO Cc1noc(C[N@@H+]2CC3CC2(c2ccccc2)C3)c1[N+](=O)[O-] ZINC000595907037 347371067 /nfs/dbraw/zinc/37/10/67/347371067.db2.gz DLWOGRAVKHLVGG-UHFFFAOYSA-N 1 1 299.330 3.012 20 5 CGBDMO Cc1noc(C[N@H+]2CC3CC2(c2ccccc2)C3)c1[N+](=O)[O-] ZINC000595907037 347371069 /nfs/dbraw/zinc/37/10/69/347371069.db2.gz DLWOGRAVKHLVGG-UHFFFAOYSA-N 1 1 299.330 3.012 20 5 CGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+]2C2CCCCC2)s1 ZINC000599126389 347719728 /nfs/dbraw/zinc/71/97/28/347719728.db2.gz FURKQCVIWZPHLB-LBPRGKRZSA-N 1 1 295.408 3.475 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC3(CC3)CC2)cc1 ZINC000599672953 347762878 /nfs/dbraw/zinc/76/28/78/347762878.db2.gz KTDCEBASPIYTPR-UHFFFAOYSA-N 1 1 260.337 3.361 20 5 CGBDMO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000599676096 347764300 /nfs/dbraw/zinc/76/43/00/347764300.db2.gz YKICQHHVNQXLNI-NHYWBVRUSA-N 1 1 278.327 3.498 20 5 CGBDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000599676096 347764301 /nfs/dbraw/zinc/76/43/01/347764301.db2.gz YKICQHHVNQXLNI-NHYWBVRUSA-N 1 1 278.327 3.498 20 5 CGBDMO Cc1cc(NC[C@H]2CCCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000599139355 347720484 /nfs/dbraw/zinc/72/04/84/347720484.db2.gz MZFGBTTUKQYTKU-CYBMUJFWSA-N 1 1 277.368 3.047 20 5 CGBDMO CC(C)[C@H](C)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351863092 219229976 /nfs/dbraw/zinc/22/99/76/219229976.db2.gz VUZAUSUZGNTOCS-VIFPVBQESA-N 1 1 272.295 3.349 20 5 CGBDMO CC(C)[C@H](C)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351863092 219229980 /nfs/dbraw/zinc/22/99/80/219229980.db2.gz VUZAUSUZGNTOCS-VIFPVBQESA-N 1 1 272.295 3.349 20 5 CGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H](C(F)F)C3)c2c1 ZINC000601159514 347876363 /nfs/dbraw/zinc/87/63/63/347876363.db2.gz JCXMQEWDEMDSKM-VIFPVBQESA-N 1 1 293.273 3.234 20 5 CGBDMO CCC[C@H](C)[C@H]1CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602783672 348028631 /nfs/dbraw/zinc/02/86/31/348028631.db2.gz KEASKYDCLNMIQE-GXTWGEPZSA-N 1 1 294.399 3.000 20 5 CGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC34CCCC4)nc2c1 ZINC000602700480 348012832 /nfs/dbraw/zinc/01/28/32/348012832.db2.gz STEJNFBYVDTBJN-UHFFFAOYSA-N 1 1 287.319 3.255 20 5 CGBDMO CCC[C@@H](C)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604012311 348106684 /nfs/dbraw/zinc/10/66/84/348106684.db2.gz WAWGESKXDJXILP-CYBMUJFWSA-N 1 1 280.368 3.484 20 5 CGBDMO CC1(C)CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000609578201 348348198 /nfs/dbraw/zinc/34/81/98/348348198.db2.gz QTZKXNWCCRPXKJ-UHFFFAOYSA-N 1 1 292.379 3.486 20 5 CGBDMO CC(C)[N@@H+](C)CC1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000609560433 348346349 /nfs/dbraw/zinc/34/63/49/348346349.db2.gz VAGIUHIAVYELPZ-UHFFFAOYSA-N 1 1 297.424 3.213 20 5 CGBDMO O=[N+]([O-])c1sccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000609964901 348359362 /nfs/dbraw/zinc/35/93/62/348359362.db2.gz MIVGIGNYKGBSGU-UHFFFAOYSA-N 1 1 295.408 3.111 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610762794 348402734 /nfs/dbraw/zinc/40/27/34/348402734.db2.gz WATVYKLMRVPJNV-WFASDCNBSA-N 1 1 290.363 3.366 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610762794 348402735 /nfs/dbraw/zinc/40/27/35/348402735.db2.gz WATVYKLMRVPJNV-WFASDCNBSA-N 1 1 290.363 3.366 20 5 CGBDMO Cc1ccncc1[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000611293182 348436095 /nfs/dbraw/zinc/43/60/95/348436095.db2.gz XGLZXKGSTVANCX-JTQLQIEISA-N 1 1 277.349 3.211 20 5 CGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@H]4CCC[C@H]43)co2)cc1 ZINC000611171718 348426260 /nfs/dbraw/zinc/42/62/60/348426260.db2.gz QIMRUNIBZOGXIF-IUODEOHRSA-N 1 1 299.330 3.234 20 5 CGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@H]4CCC[C@H]43)co2)cc1 ZINC000611171718 348426264 /nfs/dbraw/zinc/42/62/64/348426264.db2.gz QIMRUNIBZOGXIF-IUODEOHRSA-N 1 1 299.330 3.234 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501612 348456925 /nfs/dbraw/zinc/45/69/25/348456925.db2.gz FRARXQZCITUGFB-WZRBSPASSA-N 1 1 266.316 3.336 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501612 348456930 /nfs/dbraw/zinc/45/69/30/348456930.db2.gz FRARXQZCITUGFB-WZRBSPASSA-N 1 1 266.316 3.336 20 5 CGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614219064 348659251 /nfs/dbraw/zinc/65/92/51/348659251.db2.gz KHIPXLCZHMQESL-GWCFXTLKSA-N 1 1 289.335 3.356 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC3(CCC3)C2)c(F)c1 ZINC000123347433 187086241 /nfs/dbraw/zinc/08/62/41/187086241.db2.gz LJNAGCSAHDKBRM-UHFFFAOYSA-N 1 1 264.300 3.110 20 5 CGBDMO CCc1nc(C)c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000292008339 198132741 /nfs/dbraw/zinc/13/27/41/198132741.db2.gz YJPNKAXFJBNVMB-SNVBAGLBSA-N 1 1 289.335 3.304 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)cc1F ZINC000368476926 234312590 /nfs/dbraw/zinc/31/25/90/234312590.db2.gz HYZBCEPHOJJJIY-LBPRGKRZSA-N 1 1 290.294 3.316 20 5 CGBDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000412046260 235116389 /nfs/dbraw/zinc/11/63/89/235116389.db2.gz QVFCXWQIQYOQJG-SNVBAGLBSA-N 1 1 289.335 3.356 20 5 CGBDMO CCCC[N@@H+](CCOC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093323010 138345799 /nfs/dbraw/zinc/34/57/99/138345799.db2.gz VNFVJUDFSGIXSK-UHFFFAOYSA-N 1 1 280.368 3.152 20 5 CGBDMO CCC[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000106867432 138356039 /nfs/dbraw/zinc/35/60/39/138356039.db2.gz PCDWSXWAKJDVMW-ZDUSSCGKSA-N 1 1 298.408 3.437 20 5 CGBDMO CCC[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000106867432 138356040 /nfs/dbraw/zinc/35/60/40/138356040.db2.gz PCDWSXWAKJDVMW-ZDUSSCGKSA-N 1 1 298.408 3.437 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC(F)F ZINC000298055996 200324175 /nfs/dbraw/zinc/32/41/75/200324175.db2.gz JKLNXMYKNHQZBQ-JQWIXIFHSA-N 1 1 284.306 3.161 20 5 CGBDMO COCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182168170 189316017 /nfs/dbraw/zinc/31/60/17/189316017.db2.gz JCSNXCAMBJLCKE-UHFFFAOYSA-N 1 1 298.770 3.107 20 5 CGBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C ZINC000301547820 201062985 /nfs/dbraw/zinc/06/29/85/201062985.db2.gz POCOXQLYYFZXIF-AWEZNQCLSA-N 1 1 277.368 3.190 20 5 CGBDMO CCOC[C@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182823253 189336471 /nfs/dbraw/zinc/33/64/71/189336471.db2.gz YQCDJVZXLPFDON-KBPBESRZSA-N 1 1 292.379 3.323 20 5 CGBDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000120489829 370773254 /nfs/dbraw/zinc/77/32/54/370773254.db2.gz XIIDMHYFVLWULA-RYUDHWBXSA-N 1 1 298.408 3.292 20 5 CGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000120489829 370773259 /nfs/dbraw/zinc/77/32/59/370773259.db2.gz XIIDMHYFVLWULA-RYUDHWBXSA-N 1 1 298.408 3.292 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451112677 240218428 /nfs/dbraw/zinc/21/84/28/240218428.db2.gz IHDDMZWFVJUJEO-SMDDNHRTSA-N 1 1 266.316 3.480 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](C)(F)C1 ZINC000451112677 240218432 /nfs/dbraw/zinc/21/84/32/240218432.db2.gz IHDDMZWFVJUJEO-SMDDNHRTSA-N 1 1 266.316 3.480 20 5 CGBDMO O=[N+]([O-])c1cccc(C[NH+]2CC(COc3ccccc3)C2)c1 ZINC000459626993 242153523 /nfs/dbraw/zinc/15/35/23/242153523.db2.gz AYNYGRPZYCHBHI-UHFFFAOYSA-N 1 1 298.342 3.106 20 5 CGBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)C1CC1 ZINC000492752243 244017822 /nfs/dbraw/zinc/01/78/22/244017822.db2.gz VCLMZGNVOLAPFN-UHFFFAOYSA-N 1 1 278.352 3.368 20 5 CGBDMO C[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000494144553 244264882 /nfs/dbraw/zinc/26/48/82/244264882.db2.gz HRCQHWKUKLBGTD-SNVBAGLBSA-N 1 1 268.744 3.480 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000494144553 244264886 /nfs/dbraw/zinc/26/48/86/244264886.db2.gz HRCQHWKUKLBGTD-SNVBAGLBSA-N 1 1 268.744 3.480 20 5 CGBDMO COc1ccc(C[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000051127556 369446428 /nfs/dbraw/zinc/44/64/28/369446428.db2.gz YKFVOLKRBPOJPI-UHFFFAOYSA-N 1 1 278.352 3.368 20 5 CGBDMO Cc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000053037638 369475940 /nfs/dbraw/zinc/47/59/40/369475940.db2.gz YSNFFCWXIUNUBB-UHFFFAOYSA-N 1 1 260.293 3.094 20 5 CGBDMO CCC[C@@H](NCC[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000054111107 369495439 /nfs/dbraw/zinc/49/54/39/369495439.db2.gz OZBZTNPXYLTTET-MRXNPFEDSA-N 1 1 293.411 3.366 20 5 CGBDMO CCC[C@@H](NCC[N@@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000054111107 369495444 /nfs/dbraw/zinc/49/54/44/369495444.db2.gz OZBZTNPXYLTTET-MRXNPFEDSA-N 1 1 293.411 3.366 20 5 CGBDMO Cc1c(C[N@H+]2CCOC[C@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000072979192 369846554 /nfs/dbraw/zinc/84/65/54/369846554.db2.gz KDNIBNIZRFZUHH-OAHLLOKOSA-N 1 1 292.379 3.150 20 5 CGBDMO Cc1c(C[N@@H+]2CCOC[C@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000072979192 369846559 /nfs/dbraw/zinc/84/65/59/369846559.db2.gz KDNIBNIZRFZUHH-OAHLLOKOSA-N 1 1 292.379 3.150 20 5 CGBDMO CS[C@H]1CCCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000134604507 371352795 /nfs/dbraw/zinc/35/27/95/371352795.db2.gz MDDLPXIWNDJEKN-NSHDSACASA-N 1 1 298.383 3.451 20 5 CGBDMO C[N@@H+](CCC1CC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135309338 371413232 /nfs/dbraw/zinc/41/32/32/371413232.db2.gz NIHKLAIYTQTVJD-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO COc1cc(C)ccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000151034759 371561063 /nfs/dbraw/zinc/56/10/63/371561063.db2.gz BVGXJLMGWUFRCH-UHFFFAOYSA-N 1 1 286.331 3.202 20 5 CGBDMO CC(C)COCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000337314978 214001396 /nfs/dbraw/zinc/00/13/96/214001396.db2.gz IURCOXLNNIZQGH-UHFFFAOYSA-N 1 1 292.379 3.232 20 5 CGBDMO CC(C)COCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000337314978 214001399 /nfs/dbraw/zinc/00/13/99/214001399.db2.gz IURCOXLNNIZQGH-UHFFFAOYSA-N 1 1 292.379 3.232 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCC1(F)F ZINC000289716834 371800395 /nfs/dbraw/zinc/80/03/95/371800395.db2.gz IGFKOADEDKUYNQ-SECBINFHSA-N 1 1 288.269 3.211 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCC1(F)F ZINC000289716834 371800401 /nfs/dbraw/zinc/80/04/01/371800401.db2.gz IGFKOADEDKUYNQ-SECBINFHSA-N 1 1 288.269 3.211 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344060903 217032557 /nfs/dbraw/zinc/03/25/57/217032557.db2.gz MMHROCDGCZMBHI-CYBMUJFWSA-N 1 1 290.363 3.392 20 5 CGBDMO C[N@H+](CCc1ccccc1O)Cc1csc([N+](=O)[O-])c1 ZINC000344172554 217084975 /nfs/dbraw/zinc/08/49/75/217084975.db2.gz AYDJOECWAZSHOI-UHFFFAOYSA-N 1 1 292.360 3.036 20 5 CGBDMO C[N@@H+](CCc1ccccc1O)Cc1csc([N+](=O)[O-])c1 ZINC000344172554 217084978 /nfs/dbraw/zinc/08/49/78/217084978.db2.gz AYDJOECWAZSHOI-UHFFFAOYSA-N 1 1 292.360 3.036 20 5 CGBDMO Cc1ncsc1CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000172526424 372984655 /nfs/dbraw/zinc/98/46/55/372984655.db2.gz LYQJOSROROOIBK-UHFFFAOYSA-N 1 1 291.376 3.034 20 5 CGBDMO COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000172861254 373050769 /nfs/dbraw/zinc/05/07/69/373050769.db2.gz BHBJALOQHOALAZ-VXGBXAGGSA-N 1 1 278.352 3.224 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000298770947 373405224 /nfs/dbraw/zinc/40/52/24/373405224.db2.gz OQLBIUHOQZMCHL-OAHLLOKOSA-N 1 1 271.320 3.260 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000298770947 373405232 /nfs/dbraw/zinc/40/52/32/373405232.db2.gz OQLBIUHOQZMCHL-OAHLLOKOSA-N 1 1 271.320 3.260 20 5 CGBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000301279545 373727409 /nfs/dbraw/zinc/72/74/09/373727409.db2.gz SWMUJZVOMIMVII-LBPRGKRZSA-N 1 1 281.331 3.020 20 5 CGBDMO Cc1cccc(NCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302509536 373883863 /nfs/dbraw/zinc/88/38/63/373883863.db2.gz RZZLOIMJNASDBI-GFCCVEGCSA-N 1 1 277.368 3.047 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000449709457 373851542 /nfs/dbraw/zinc/85/15/42/373851542.db2.gz ZHJDMZNKMKALSV-UHFFFAOYSA-N 1 1 287.319 3.058 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000311878727 374260380 /nfs/dbraw/zinc/26/03/80/374260380.db2.gz MSJDYOANROGDHW-GHMZBOCLSA-N 1 1 266.316 3.354 20 5 CGBDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183359274 374406662 /nfs/dbraw/zinc/40/66/62/374406662.db2.gz FPUORZLUMPSOSH-LBPRGKRZSA-N 1 1 282.409 3.477 20 5 CGBDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000185602149 374694993 /nfs/dbraw/zinc/69/49/93/374694993.db2.gz ZEKQYTWZHUEFLO-KOLCDFICSA-N 1 1 254.355 3.277 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC3(CC3)C2)cs1 ZINC000186619226 374886678 /nfs/dbraw/zinc/88/66/78/374886678.db2.gz ZDYQOVMBTQXHCH-UHFFFAOYSA-N 1 1 252.339 3.032 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCC3(CC3)C2)cs1 ZINC000186619226 374886684 /nfs/dbraw/zinc/88/66/84/374886684.db2.gz ZDYQOVMBTQXHCH-UHFFFAOYSA-N 1 1 252.339 3.032 20 5 CGBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1F)[N@H+]1CCCC[C@H]1C ZINC000339004949 376622754 /nfs/dbraw/zinc/62/27/54/376622754.db2.gz VUPQXISTWPCUIU-VXGBXAGGSA-N 1 1 295.358 3.409 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C3CC3)C2)c(Cl)c1 ZINC000543908822 376686612 /nfs/dbraw/zinc/68/66/12/376686612.db2.gz VFXBBHASYCHHMN-NSHDSACASA-N 1 1 280.755 3.480 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]1CF ZINC000556950070 376910705 /nfs/dbraw/zinc/91/07/05/376910705.db2.gz LRKKNGDXIBMVNN-LDCOFTPGSA-N 1 1 278.327 3.432 20 5 CGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000558953193 377054439 /nfs/dbraw/zinc/05/44/39/377054439.db2.gz SKCRBSWSSGNXAW-LBPRGKRZSA-N 1 1 295.383 3.136 20 5 CGBDMO CC(C)O[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000563066949 377396872 /nfs/dbraw/zinc/39/68/72/377396872.db2.gz CWUGLQMXULANLX-CYBMUJFWSA-N 1 1 298.770 3.248 20 5 CGBDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000563066949 377396878 /nfs/dbraw/zinc/39/68/78/377396878.db2.gz CWUGLQMXULANLX-CYBMUJFWSA-N 1 1 298.770 3.248 20 5 CGBDMO O=[N+]([O-])c1cccc(Cl)c1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250789380 377565936 /nfs/dbraw/zinc/56/59/36/377565936.db2.gz PLBWQIMOZGRPQR-MNOVXSKESA-N 1 1 295.770 3.287 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000516294666 249230579 /nfs/dbraw/zinc/23/05/79/249230579.db2.gz ZUYHEVAIRHYFQH-MRXNPFEDSA-N 1 1 297.358 3.288 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCc1nccs1 ZINC000269900835 378279111 /nfs/dbraw/zinc/27/91/11/378279111.db2.gz XHANLGJTTSVMEI-LLVKDONJSA-N 1 1 291.376 3.287 20 5 CGBDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000348235123 378855457 /nfs/dbraw/zinc/85/54/57/378855457.db2.gz BPQNRIWRUDSKNU-CABZTGNLSA-N 1 1 288.269 3.368 20 5 CGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc(O)cc1 ZINC000349407485 379269340 /nfs/dbraw/zinc/26/93/40/379269340.db2.gz NUQNKBUKXZKISW-XQRVVYSFSA-N 1 1 298.342 3.446 20 5 CGBDMO CC(C)n1nccc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000280348147 379683312 /nfs/dbraw/zinc/68/33/12/379683312.db2.gz RDNMKICPTUKMHS-LBPRGKRZSA-N 1 1 288.351 3.223 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283407701 380060053 /nfs/dbraw/zinc/06/00/53/380060053.db2.gz FUGBKYSBMPQGKW-LBPRGKRZSA-N 1 1 293.367 3.044 20 5 CGBDMO O=[N+]([O-])c1ccccc1C=CCNc1cc(C2CC2)cc[nH+]1 ZINC000353078566 380105368 /nfs/dbraw/zinc/10/53/68/380105368.db2.gz ICEMZGHXEFTBLN-HYXAFXHYSA-N 1 1 295.342 3.414 20 5 CGBDMO CC[N@@H+](CCC1CC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000355038598 380570393 /nfs/dbraw/zinc/57/03/93/380570393.db2.gz RFJUNTXZGPXZJS-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO CO[C@@H](CC(C)C)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000419189076 380776612 /nfs/dbraw/zinc/77/66/12/380776612.db2.gz HGAAHRBOGHBWHC-AWEZNQCLSA-N 1 1 280.368 3.088 20 5 CGBDMO CCc1cccnc1[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000356852134 380901194 /nfs/dbraw/zinc/90/11/94/380901194.db2.gz RGIGRCMZRGDRKA-LBPRGKRZSA-N 1 1 285.347 3.403 20 5 CGBDMO C[C@H](C1CCC1)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000357027803 380996737 /nfs/dbraw/zinc/99/67/37/380996737.db2.gz SWLZFVLKLJMYER-SECBINFHSA-N 1 1 254.355 3.277 20 5 CGBDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000357558007 381210311 /nfs/dbraw/zinc/21/03/11/381210311.db2.gz ZLBLECOKUKCUJW-QWRGUYRKSA-N 1 1 266.316 3.497 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC23CCC3)c(Cl)c1 ZINC000360027035 381416472 /nfs/dbraw/zinc/41/64/72/381416472.db2.gz CLWUXDOMWGRBRG-UHFFFAOYSA-N 1 1 266.728 3.377 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC23CCC3)c(Cl)c1 ZINC000360027035 381416478 /nfs/dbraw/zinc/41/64/78/381416478.db2.gz CLWUXDOMWGRBRG-UHFFFAOYSA-N 1 1 266.728 3.377 20 5 CGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000360479024 381556330 /nfs/dbraw/zinc/55/63/30/381556330.db2.gz UQBULOKSTCADEO-WCQYABFASA-N 1 1 278.352 3.224 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC(F)F ZINC000298055999 285161890 /nfs/dbraw/zinc/16/18/90/285161890.db2.gz JKLNXMYKNHQZBQ-PWSUYJOCSA-N 1 1 284.306 3.161 20 5 CGBDMO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000288656636 197138142 /nfs/dbraw/zinc/13/81/42/197138142.db2.gz VMOJVMBOJBJRNX-BDJLRTHQSA-N 1 1 284.315 3.207 20 5 CGBDMO C[C@H](CF)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000288398214 197067558 /nfs/dbraw/zinc/06/75/58/197067558.db2.gz HQWWQZANTIJDCD-SNVBAGLBSA-N 1 1 278.283 3.302 20 5 CGBDMO CCC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000190198584 130073664 /nfs/dbraw/zinc/07/36/64/130073664.db2.gz RULNLRYFYOLYQM-UHFFFAOYSA-N 1 1 278.352 3.174 20 5 CGBDMO CCCO[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000108394885 392342396 /nfs/dbraw/zinc/34/23/96/392342396.db2.gz LDSFXWCXDNOZLT-INIZCTEOSA-N 1 1 292.379 3.376 20 5 CGBDMO C[C@H]1CCC[N@@H+](CCNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301759662 392598029 /nfs/dbraw/zinc/59/80/29/392598029.db2.gz AUZOFLOTZUBYCL-JTQLQIEISA-N 1 1 299.321 3.017 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000330713200 392694823 /nfs/dbraw/zinc/69/48/23/392694823.db2.gz RFHBSMOFQDPUFX-XJKSGUPXSA-N 1 1 292.379 3.321 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000330713200 392694830 /nfs/dbraw/zinc/69/48/30/392694830.db2.gz RFHBSMOFQDPUFX-XJKSGUPXSA-N 1 1 292.379 3.321 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000466920141 393070354 /nfs/dbraw/zinc/07/03/54/393070354.db2.gz BXGFAGPMVPYGGN-BETUJISGSA-N 1 1 278.352 3.237 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(F)cn2)cc1[N+](=O)[O-] ZINC000268976139 393212619 /nfs/dbraw/zinc/21/26/19/393212619.db2.gz AYMWEVQGMJIUMU-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000475154597 393378099 /nfs/dbraw/zinc/37/80/99/393378099.db2.gz DDVWHZUCPNUNCR-FRRDWIJNSA-N 1 1 262.353 3.461 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000419807294 393418043 /nfs/dbraw/zinc/41/80/43/393418043.db2.gz AQGVLFFKQNKURA-ZIAGYGMSSA-N 1 1 296.342 3.364 20 5 CGBDMO CC[C@H]1[C@H](C)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000481399889 393437800 /nfs/dbraw/zinc/43/78/00/393437800.db2.gz GAUQLIHJMKMOFB-DOMZBBRYSA-N 1 1 262.353 3.258 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](C)[C@H]1C ZINC000430213340 393540355 /nfs/dbraw/zinc/54/03/55/393540355.db2.gz BKEGAMRHZZTVHT-NWDGAFQWSA-N 1 1 278.352 3.224 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccccc1 ZINC000430201557 393538585 /nfs/dbraw/zinc/53/85/85/393538585.db2.gz KPAZHJJCWYSYKD-UHFFFAOYSA-N 1 1 286.331 3.235 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccccc1 ZINC000430201557 393538590 /nfs/dbraw/zinc/53/85/90/393538590.db2.gz KPAZHJJCWYSYKD-UHFFFAOYSA-N 1 1 286.331 3.235 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000430241460 393548341 /nfs/dbraw/zinc/54/83/41/393548341.db2.gz VYPOTFPNKWEGOS-WCQYABFASA-N 1 1 278.352 3.224 20 5 CGBDMO CCOc1cc(C[N@@H+]2CC(C)=C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000430284098 393558896 /nfs/dbraw/zinc/55/88/96/393558896.db2.gz KPJXJNOHHUFYLT-GFCCVEGCSA-N 1 1 290.363 3.392 20 5 CGBDMO CCOc1cc(C[N@@H+](C)[C@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000489453242 393598630 /nfs/dbraw/zinc/59/86/30/393598630.db2.gz WZSWZHRTOCILNA-AWEZNQCLSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@@H](NCC[N@H+]1CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000453412145 394238481 /nfs/dbraw/zinc/23/84/81/394238481.db2.gz XUCQJERSBXGSTI-CYBMUJFWSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@@H]([NH2+]CCN1CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000453412145 394238482 /nfs/dbraw/zinc/23/84/82/394238482.db2.gz XUCQJERSBXGSTI-CYBMUJFWSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@@H]([N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000549770431 289052920 /nfs/dbraw/zinc/05/29/20/289052920.db2.gz DPYQUWUAFURYTH-SNVBAGLBSA-N 1 1 266.341 3.167 20 5 CGBDMO CC[C@H]([NH2+][C@@H](C)c1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000090918607 165247224 /nfs/dbraw/zinc/24/72/24/165247224.db2.gz UYUGOPBWYQCGPJ-FZMZJTMJSA-N 1 1 286.335 3.187 20 5 CGBDMO Cc1occc1C[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092438562 165297698 /nfs/dbraw/zinc/29/76/98/165297698.db2.gz NRANEYDUXMSKJO-UHFFFAOYSA-N 1 1 274.320 3.437 20 5 CGBDMO Cc1occc1C[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092438562 165297699 /nfs/dbraw/zinc/29/76/99/165297699.db2.gz NRANEYDUXMSKJO-UHFFFAOYSA-N 1 1 274.320 3.437 20 5 CGBDMO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCC1 ZINC000093475743 165328936 /nfs/dbraw/zinc/32/89/36/165328936.db2.gz CYTREOZZTGLKJE-UHFFFAOYSA-N 1 1 299.168 3.342 20 5 CGBDMO CC(C)c1ccc(C[N@@H+](C)C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000093840031 165340833 /nfs/dbraw/zinc/34/08/33/165340833.db2.gz PZEWPJCQLBAUMR-AWEZNQCLSA-N 1 1 292.379 3.187 20 5 CGBDMO CC[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116276536 287156717 /nfs/dbraw/zinc/15/67/17/287156717.db2.gz IYIQHRJMYFOSPN-VIFPVBQESA-N 1 1 256.733 3.479 20 5 CGBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCc1ccccn1 ZINC000006393947 170197571 /nfs/dbraw/zinc/19/75/71/170197571.db2.gz DFVQFBRINHBGHT-VURMDHGXSA-N 1 1 297.358 3.178 20 5 CGBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000020563097 171252577 /nfs/dbraw/zinc/25/25/77/171252577.db2.gz UYADDRRSOIIMNL-LLVKDONJSA-N 1 1 283.759 3.144 20 5 CGBDMO CSCC[C@H](C)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000126611830 287268971 /nfs/dbraw/zinc/26/89/71/287268971.db2.gz DAAKPCTXFCQATN-LBPRGKRZSA-N 1 1 298.408 3.047 20 5 CGBDMO C[N@@H+](CCCCCF)CCc1ccccc1[N+](=O)[O-] ZINC000285453847 196289836 /nfs/dbraw/zinc/28/98/36/196289836.db2.gz YTWHFVXONOPSDC-UHFFFAOYSA-N 1 1 268.332 3.209 20 5 CGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1F ZINC000522268810 270105484 /nfs/dbraw/zinc/10/54/84/270105484.db2.gz QPURNWHWGGUVNP-UHFFFAOYSA-N 1 1 288.322 3.408 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000522712353 270106754 /nfs/dbraw/zinc/10/67/54/270106754.db2.gz LZQSLOGMEUUYAP-CQSZACIVSA-N 1 1 292.379 3.486 20 5 CGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000524424096 270112626 /nfs/dbraw/zinc/11/26/26/270112626.db2.gz HVCVLJHVCNDOID-UHFFFAOYSA-N 1 1 250.342 3.115 20 5 CGBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000353948513 274087071 /nfs/dbraw/zinc/08/70/71/274087071.db2.gz VIMBGULZBSLPHG-GDBMZVCRSA-N 1 1 292.379 3.230 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1Cc3ccccc31)CC2 ZINC000347039174 275037686 /nfs/dbraw/zinc/03/76/86/275037686.db2.gz VYDGUMFCZSYGCB-MRXNPFEDSA-N 1 1 294.354 3.293 20 5 CGBDMO CC(C)[NH+](Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000351767383 277571514 /nfs/dbraw/zinc/57/15/14/277571514.db2.gz VCNQIJKXHDDOAW-UHFFFAOYSA-N 1 1 272.295 3.492 20 5 CGBDMO COCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000487961168 288116008 /nfs/dbraw/zinc/11/60/08/288116008.db2.gz GOSCLJXUIPDJDU-UKRRQHHQSA-N 1 1 292.379 3.232 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CC(C)C)C(C)C ZINC000532477914 288364014 /nfs/dbraw/zinc/36/40/14/288364014.db2.gz RXTGPPXPRDFSIU-UHFFFAOYSA-N 1 1 280.368 3.470 20 5 CGBDMO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000543592619 288811411 /nfs/dbraw/zinc/81/14/11/288811411.db2.gz VMKIHVCXIZOWPE-RISCZKNCSA-N 1 1 288.351 3.130 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000549545513 289046152 /nfs/dbraw/zinc/04/61/52/289046152.db2.gz XPQJZUJATOWHGT-DJSGYFEHSA-N 1 1 290.363 3.311 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000549545513 289046156 /nfs/dbraw/zinc/04/61/56/289046156.db2.gz XPQJZUJATOWHGT-DJSGYFEHSA-N 1 1 290.363 3.311 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000567795327 322178300 /nfs/dbraw/zinc/17/83/00/322178300.db2.gz NLWUZTKKYWLGKD-IOASZLSFSA-N 1 1 290.363 3.075 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)C[N@H+](C)C(C)C ZINC000580680002 335321259 /nfs/dbraw/zinc/32/12/59/335321259.db2.gz APOIXXXFWMOXQV-ZIAGYGMSSA-N 1 1 293.411 3.283 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CN(C)C(C)C ZINC000580680002 335321261 /nfs/dbraw/zinc/32/12/61/335321261.db2.gz APOIXXXFWMOXQV-ZIAGYGMSSA-N 1 1 293.411 3.283 20 5 CGBDMO C[C@@H](c1ccccn1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000177024790 335354946 /nfs/dbraw/zinc/35/49/46/335354946.db2.gz ILRGAHUGNQVDHM-LBPRGKRZSA-N 1 1 271.320 3.183 20 5 CGBDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000177024790 335354949 /nfs/dbraw/zinc/35/49/49/335354949.db2.gz ILRGAHUGNQVDHM-LBPRGKRZSA-N 1 1 271.320 3.183 20 5 CGBDMO Cc1c(C[N@H+]2CC[C@@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000426461829 533847563 /nfs/dbraw/zinc/84/75/63/533847563.db2.gz POGZUNDDBWBXIW-WFASDCNBSA-N 1 1 260.337 3.278 20 5 CGBDMO CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000463023183 535765447 /nfs/dbraw/zinc/76/54/47/535765447.db2.gz HBNMXIIWCWWTKB-LRFDDAOPSA-N 1 1 290.363 3.109 20 5 CGBDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000743872754 572695105 /nfs/dbraw/zinc/69/51/05/572695105.db2.gz BTHPDWFDWBHLGL-QWRGUYRKSA-N 1 1 266.316 3.354 20 5 CGBDMO CC[N@@H+](CCc1ccccn1)Cc1cccc([N+](=O)[O-])c1C ZINC000744194838 572721439 /nfs/dbraw/zinc/72/14/39/572721439.db2.gz WLURBITWZMXFAN-UHFFFAOYSA-N 1 1 299.374 3.363 20 5 CGBDMO C[N@@H+](CCC1CC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000749530363 573016782 /nfs/dbraw/zinc/01/67/82/573016782.db2.gz FYGYISDHWWGPCS-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO C[C@H]1CSCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000934300464 618584085 /nfs/dbraw/zinc/58/40/85/618584085.db2.gz PJMIDLGRGBBSSN-JTQLQIEISA-N 1 1 284.356 3.061 20 5 CGBDMO C[C@H]1CSCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000934300464 618584092 /nfs/dbraw/zinc/58/40/92/618584092.db2.gz PJMIDLGRGBBSSN-JTQLQIEISA-N 1 1 284.356 3.061 20 5 CGBDMO CC1(C)[C@@H]2C[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000178021868 618854000 /nfs/dbraw/zinc/85/40/00/618854000.db2.gz XXGNRQKOUGCGJQ-PHIMTYICSA-N 1 1 280.755 3.336 20 5 CGBDMO COc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000892621164 618876249 /nfs/dbraw/zinc/87/62/49/618876249.db2.gz IAFTUKIPTSPXLO-JTQLQIEISA-N 1 1 276.292 3.047 20 5 CGBDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894498950 619554116 /nfs/dbraw/zinc/55/41/16/619554116.db2.gz MIRCELAJBQCHFX-JQWIXIFHSA-N 1 1 294.351 3.072 20 5 CGBDMO Cc1cc(NCc2cc(N(C)C)cc[nH+]2)c([N+](=O)[O-])s1 ZINC000895471452 619837258 /nfs/dbraw/zinc/83/72/58/619837258.db2.gz RCBUKWRJYXZMRR-UHFFFAOYSA-N 1 1 292.364 3.038 20 5 CGBDMO C[N@@H+](CC1CCCC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000058207517 622909781 /nfs/dbraw/zinc/90/97/81/622909781.db2.gz XUYCVFKMKOCYEH-UHFFFAOYSA-N 1 1 288.351 3.024 20 5 CGBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cccnc1 ZINC000035368190 624005921 /nfs/dbraw/zinc/00/59/21/624005921.db2.gz JXGCASDYIGMZGK-SNVBAGLBSA-N 1 1 291.738 3.494 20 5 CGBDMO CCOC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000839183761 626326894 /nfs/dbraw/zinc/32/68/94/626326894.db2.gz OADMJRGNBXCDPG-CQSZACIVSA-N 1 1 296.342 3.125 20 5 CGBDMO CCOC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000839183761 626326898 /nfs/dbraw/zinc/32/68/98/626326898.db2.gz OADMJRGNBXCDPG-CQSZACIVSA-N 1 1 296.342 3.125 20 5 CGBDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000839659688 626771664 /nfs/dbraw/zinc/77/16/64/626771664.db2.gz GNTYJVNKEGLJPX-JTQLQIEISA-N 1 1 266.316 3.354 20 5 CGBDMO CC[C@@]1(C)CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000758397993 626841882 /nfs/dbraw/zinc/84/18/82/626841882.db2.gz RZMBPNPQXVHEKQ-HNNXBMFYSA-N 1 1 288.351 3.024 20 5 CGBDMO CC(C)[N@@H+](C)CCCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761520983 627047135 /nfs/dbraw/zinc/04/71/35/627047135.db2.gz HOHMJPNRAFGPSQ-UHFFFAOYSA-N 1 1 299.802 3.068 20 5 CGBDMO Cc1nn(C[N@H+](C)CCC(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000764918396 627233061 /nfs/dbraw/zinc/23/30/61/627233061.db2.gz BBQMWKWLBINABM-UHFFFAOYSA-N 1 1 290.367 3.188 20 5 CGBDMO O=[N+]([O-])c1c(F)cccc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000764942734 627233656 /nfs/dbraw/zinc/23/36/56/627233656.db2.gz WRFQVIRKFDGTKL-LBPRGKRZSA-N 1 1 293.342 3.163 20 5 CGBDMO Cc1c([C@H](C)NCC[N@@H+]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000766270439 627308962 /nfs/dbraw/zinc/30/89/62/627308962.db2.gz BYNYXACYFIUMHL-OCCSQVGLSA-N 1 1 291.395 3.038 20 5 CGBDMO Cc1c([C@H](C)NCC[N@H+]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000766270439 627308965 /nfs/dbraw/zinc/30/89/65/627308965.db2.gz BYNYXACYFIUMHL-OCCSQVGLSA-N 1 1 291.395 3.038 20 5 CGBDMO CC[C@@H](NCC[N@@H+]1CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000766269257 627309128 /nfs/dbraw/zinc/30/91/28/627309128.db2.gz MEKKGOLJRTWDLG-CZUORRHYSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[C@@H](NCC[N@H+]1CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000766269257 627309133 /nfs/dbraw/zinc/30/91/33/627309133.db2.gz MEKKGOLJRTWDLG-CZUORRHYSA-N 1 1 291.395 3.120 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccoc2)C2CC2)cc1 ZINC000768337822 627473944 /nfs/dbraw/zinc/47/39/44/627473944.db2.gz WGXMBRTXXRWFHC-UHFFFAOYSA-N 1 1 272.304 3.352 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccoc2)C2CC2)cc1 ZINC000768337822 627473945 /nfs/dbraw/zinc/47/39/45/627473945.db2.gz WGXMBRTXXRWFHC-UHFFFAOYSA-N 1 1 272.304 3.352 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC23CCOCC3)cc1Cl ZINC000775159996 628068171 /nfs/dbraw/zinc/06/81/71/628068171.db2.gz SXUVUSALEYIBPA-UHFFFAOYSA-N 1 1 296.754 3.003 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC23CCOCC3)cc1Cl ZINC000775159996 628068175 /nfs/dbraw/zinc/06/81/75/628068175.db2.gz SXUVUSALEYIBPA-UHFFFAOYSA-N 1 1 296.754 3.003 20 5 CGBDMO CC(C)CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776578600 628220242 /nfs/dbraw/zinc/22/02/42/628220242.db2.gz HHGVCBMPROJOIK-MRXNPFEDSA-N 1 1 292.379 3.139 20 5 CGBDMO CCCCC[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779867553 628439007 /nfs/dbraw/zinc/43/90/07/628439007.db2.gz VVQRCYRLAGIKLK-CYBMUJFWSA-N 1 1 280.372 3.102 20 5 CGBDMO CCOc1cc(Cn2cc(C)[nH+]c2CC)ccc1[N+](=O)[O-] ZINC000865392932 630095688 /nfs/dbraw/zinc/09/56/88/630095688.db2.gz GIHQPJHYLVJBMN-UHFFFAOYSA-N 1 1 289.335 3.109 20 5 CGBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000798965150 630131262 /nfs/dbraw/zinc/13/12/62/630131262.db2.gz UBEGLZMFDJYURF-LBPRGKRZSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000798965150 630131267 /nfs/dbraw/zinc/13/12/67/630131267.db2.gz UBEGLZMFDJYURF-LBPRGKRZSA-N 1 1 298.770 3.249 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2F)c(F)c1 ZINC000865698990 630387372 /nfs/dbraw/zinc/38/73/72/630387372.db2.gz JWZSADQGRJCDJO-WCQYABFASA-N 1 1 270.279 3.104 20 5 CGBDMO C[C@@H]1CCC[N@H+]1CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000804521193 630534162 /nfs/dbraw/zinc/53/41/62/630534162.db2.gz LNPVRRJBRCREJD-SNVBAGLBSA-N 1 1 283.759 3.144 20 5 CGBDMO C[C@H]([NH2+]Cc1ccc(Cl)o1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815600793 631804321 /nfs/dbraw/zinc/80/43/21/631804321.db2.gz FLOKJWYJPGMBJA-QMMMGPOBSA-N 1 1 295.726 3.274 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C ZINC000824814443 633294662 /nfs/dbraw/zinc/29/46/62/633294662.db2.gz ADVUPALROZQULO-QMTHXVAHSA-N 1 1 298.770 3.105 20 5 CGBDMO CC[N@H+](CCSC)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000830999151 633907929 /nfs/dbraw/zinc/90/79/29/633907929.db2.gz FHAWMSAMOSWSGI-UHFFFAOYSA-N 1 1 288.800 3.433 20 5 CGBDMO CC[N@@H+](CCSC)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000830999151 633907933 /nfs/dbraw/zinc/90/79/33/633907933.db2.gz FHAWMSAMOSWSGI-UHFFFAOYSA-N 1 1 288.800 3.433 20 5 CGBDMO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccc[nH]1 ZINC000872052421 633975282 /nfs/dbraw/zinc/97/52/82/633975282.db2.gz RTWPOCDYQWVSOI-NXEZZACHSA-N 1 1 277.299 3.474 20 5 CGBDMO CN(CCCCCC[NH3+])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000846218098 636161179 /nfs/dbraw/zinc/16/11/79/636161179.db2.gz SHPXAXPOKIUKLB-UHFFFAOYSA-N 1 1 299.802 3.199 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc(F)cn1 ZINC000873078977 634242520 /nfs/dbraw/zinc/24/25/20/634242520.db2.gz ANPCGQFSBBGQNQ-UHFFFAOYSA-N 1 1 289.310 3.036 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC1CCOCC1 ZINC000876720129 634884986 /nfs/dbraw/zinc/88/49/86/634884986.db2.gz CKJWWJMYHQCRMV-UHFFFAOYSA-N 1 1 292.379 3.070 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCCSCC1 ZINC000877171105 635005959 /nfs/dbraw/zinc/00/59/59/635005959.db2.gz ZFSDMKQMTLWUSK-UHFFFAOYSA-N 1 1 280.393 3.151 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879528330 635804308 /nfs/dbraw/zinc/80/43/08/635804308.db2.gz AUSIKKVMHUKSIQ-TXEJJXNPSA-N 1 1 276.311 3.132 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880232865 635944199 /nfs/dbraw/zinc/94/41/99/635944199.db2.gz RRZHSIOLZVWPNX-JTQLQIEISA-N 1 1 286.734 3.430 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000880232865 635944203 /nfs/dbraw/zinc/94/42/03/635944203.db2.gz RRZHSIOLZVWPNX-JTQLQIEISA-N 1 1 286.734 3.430 20 5 CGBDMO CCC[N@H+](Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000885931391 637318194 /nfs/dbraw/zinc/31/81/94/637318194.db2.gz TXPMAEWMQVZHHY-UHFFFAOYSA-N 1 1 285.347 3.402 20 5 CGBDMO CCC[N@@H+](Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000885931391 637318200 /nfs/dbraw/zinc/31/82/00/637318200.db2.gz TXPMAEWMQVZHHY-UHFFFAOYSA-N 1 1 285.347 3.402 20 5 CGBDMO CC[N@H+](Cc1ccccc1C)Cc1cccnc1[N+](=O)[O-] ZINC000885942761 637323830 /nfs/dbraw/zinc/32/38/30/637323830.db2.gz RNLNWTWTRAIMJE-UHFFFAOYSA-N 1 1 285.347 3.320 20 5 CGBDMO CC[N@@H+](Cc1ccccc1C)Cc1cccnc1[N+](=O)[O-] ZINC000885942761 637323832 /nfs/dbraw/zinc/32/38/32/637323832.db2.gz RNLNWTWTRAIMJE-UHFFFAOYSA-N 1 1 285.347 3.320 20 5 CGBDMO CCC[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886039676 637380888 /nfs/dbraw/zinc/38/08/88/637380888.db2.gz OEGHHIKSRYNWHM-GFCCVEGCSA-N 1 1 263.341 3.002 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCC1CCC1)C2 ZINC000851869728 637526559 /nfs/dbraw/zinc/52/65/59/637526559.db2.gz PDSCFYABQWUODI-UHFFFAOYSA-N 1 1 260.337 3.143 20 5 CGBDMO Cc1noc(C[N@H+]2CCCC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000851968725 637562599 /nfs/dbraw/zinc/56/25/99/637562599.db2.gz QCPWNZQXWZEULE-UHFFFAOYSA-N 1 1 279.340 3.047 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000852532605 637675045 /nfs/dbraw/zinc/67/50/45/637675045.db2.gz JYHSJJMEBVLIRL-NSHDSACASA-N 1 1 284.306 3.306 20 5 CGBDMO CC(C)CCC(N)=[NH+]OCc1ccc(F)cc1[N+](=O)[O-] ZINC000853659234 637884681 /nfs/dbraw/zinc/88/46/81/637884681.db2.gz QRTUTIVVBLBSSX-UHFFFAOYSA-N 1 1 283.303 3.169 20 5 CGBDMO [NH3+]CCC[C@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000925597346 638540196 /nfs/dbraw/zinc/54/01/96/638540196.db2.gz YMDVTNQKMGWZCE-INIZCTEOSA-N 1 1 299.374 3.165 20 5 CGBDMO C[C@]1(Cc2cc(Cl)cs2)CCC[N@H+]1CC[N+](=O)[O-] ZINC000932921069 639400110 /nfs/dbraw/zinc/40/01/10/639400110.db2.gz WLUIGIWHFYWYOG-GFCCVEGCSA-N 1 1 288.800 3.075 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934776419 639674122 /nfs/dbraw/zinc/67/41/22/639674122.db2.gz DLTRYQFJDVOQEH-ZOWXZIJZSA-N 1 1 292.404 3.341 20 5 CGBDMO CCOC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000040689402 639896450 /nfs/dbraw/zinc/89/64/50/639896450.db2.gz KPVXJKIGDWAYSE-UHFFFAOYSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000042095340 639910385 /nfs/dbraw/zinc/91/03/85/639910385.db2.gz VKZXEESICHKCMN-GFCCVEGCSA-N 1 1 288.351 3.024 20 5 CGBDMO C[NH+](C)Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC001250661795 805750438 /nfs/dbraw/zinc/75/04/38/805750438.db2.gz OMFQVQJIZJIVAY-UHFFFAOYSA-N 1 1 296.330 3.200 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC1(F)F ZINC001254542386 806446749 /nfs/dbraw/zinc/44/67/49/806446749.db2.gz MSXNOAYDJCYSLE-MFKMUULPSA-N 1 1 284.306 3.303 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCOC(C)(C)C1 ZINC001254561306 806451672 /nfs/dbraw/zinc/45/16/72/806451672.db2.gz GHZALFBMVFRISM-ZDUSSCGKSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@@]1(F)CCCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254594986 806457570 /nfs/dbraw/zinc/45/75/70/806457570.db2.gz ULRWKXUOHVZHNO-JKSUJKDBSA-N 1 1 292.354 3.276 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1Cc3ccc(F)cc3C1)C2 ZINC001254602309 806458585 /nfs/dbraw/zinc/45/85/85/806458585.db2.gz CYAIABGJSAQFRQ-QGZVFWFLSA-N 1 1 298.317 3.217 20 5 CGBDMO C[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H](C)C1 ZINC001254603022 806459980 /nfs/dbraw/zinc/45/99/80/806459980.db2.gz KLQDNMARJDQJTQ-XHBSWPGZSA-N 1 1 274.364 3.182 20 5 CGBDMO Cc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc(Cl)n1 ZINC000401879171 799558367 /nfs/dbraw/zinc/55/83/67/799558367.db2.gz HCSXSQUROZCKTH-UHFFFAOYSA-N 1 1 291.738 3.241 20 5 CGBDMO Cc1cn(Cc2ccc(Cl)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000715121050 800131564 /nfs/dbraw/zinc/13/15/64/800131564.db2.gz IPZPYKPGZQGCIS-UHFFFAOYSA-N 1 1 265.700 3.110 20 5 CGBDMO Cc1cccc(NCC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001165278417 806984908 /nfs/dbraw/zinc/98/49/08/806984908.db2.gz GSHGYAZMGOSOQS-ZDUSSCGKSA-N 1 1 277.368 3.047 20 5 CGBDMO CC(C)CC[C@H]1CCCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC001167905646 807271561 /nfs/dbraw/zinc/27/15/61/807271561.db2.gz SMARQLRXFVOZAI-CQSZACIVSA-N 1 1 294.399 3.119 20 5 CGBDMO C[N@@H+](Cc1cccc(Cl)c1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169024370 807554327 /nfs/dbraw/zinc/55/43/27/807554327.db2.gz GUMXMFVERYLCAD-JSGCOSHPSA-N 1 1 282.771 3.217 20 5 CGBDMO CCc1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169035151 807555257 /nfs/dbraw/zinc/55/52/57/807555257.db2.gz AQKGONSJGDPHFB-HZPDHXFCSA-N 1 1 276.380 3.126 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)C1 ZINC001169042146 807556727 /nfs/dbraw/zinc/55/67/27/807556727.db2.gz DDVYIDKLLMXOMY-KBXIAJHMSA-N 1 1 286.375 3.019 20 5 CGBDMO CC1(C)C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169039262 807556826 /nfs/dbraw/zinc/55/68/26/807556826.db2.gz OSEIKYGSLWJAQH-UKRRQHHQSA-N 1 1 288.391 3.225 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2Cc3cccc(Cl)c3C2)C1 ZINC001169038754 807557757 /nfs/dbraw/zinc/55/77/57/807557757.db2.gz KIEUTRUKSITTSB-CMPLNLGQSA-N 1 1 280.755 3.101 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)C1 ZINC001169042147 807557795 /nfs/dbraw/zinc/55/77/95/807557795.db2.gz DDVYIDKLLMXOMY-XQLPTFJDSA-N 1 1 286.375 3.019 20 5 CGBDMO CC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C(C)(C)C ZINC001261504357 807752097 /nfs/dbraw/zinc/75/20/97/807752097.db2.gz GDGGQINFMQFIPR-UHFFFAOYSA-N 1 1 294.351 3.002 20 5 CGBDMO CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC001170329737 807826480 /nfs/dbraw/zinc/82/64/80/807826480.db2.gz SRDVEYRDZGWVNY-NSHDSACASA-N 1 1 278.352 3.019 20 5 CGBDMO CC[N@@H+](C1CC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909212 808475861 /nfs/dbraw/zinc/47/58/61/808475861.db2.gz QVIUNOUNQURAAQ-AWEZNQCLSA-N 1 1 274.364 3.327 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@H](F)C1)CC2 ZINC001172908502 808475981 /nfs/dbraw/zinc/47/59/81/808475981.db2.gz DAQSMVQYKKXEKT-GJZGRUSLSA-N 1 1 292.354 3.276 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@H]3CC[C@@H]1C3)CC2 ZINC001172914512 808477177 /nfs/dbraw/zinc/47/71/77/808477177.db2.gz HFHREDVMURBOMP-APHBMKBZSA-N 1 1 286.375 3.327 20 5 CGBDMO CCCC[N@@H+](C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173183792 808533397 /nfs/dbraw/zinc/53/33/97/808533397.db2.gz JKHZTDGPWDUDOM-NSHDSACASA-N 1 1 298.358 3.405 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)C[C@H]1CF ZINC001173220974 808540059 /nfs/dbraw/zinc/54/00/59/808540059.db2.gz DULKWWSSDAWTHR-ZOWXZIJZSA-N 1 1 280.343 3.206 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001173227108 808541118 /nfs/dbraw/zinc/54/11/18/808541118.db2.gz OCVXFYMDCWBZDQ-SMDDNHRTSA-N 1 1 296.317 3.257 20 5 CGBDMO CC[N@@H+](C(C)C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173224297 808541743 /nfs/dbraw/zinc/54/17/43/808541743.db2.gz DKPVNOCQTXDSGO-GFCCVEGCSA-N 1 1 250.342 3.256 20 5 CGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H]1CCCCO1 ZINC001173226115 808541843 /nfs/dbraw/zinc/54/18/43/808541843.db2.gz HQUHOGLQMFGUKT-XJKSGUPXSA-N 1 1 292.379 3.027 20 5 CGBDMO CC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001173225792 808541929 /nfs/dbraw/zinc/54/19/29/808541929.db2.gz GJJSTKIOEMLTNH-CYBMUJFWSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCc1cccnc1 ZINC001173234038 808542459 /nfs/dbraw/zinc/54/24/59/808542459.db2.gz OVFCLTPMBXDDGF-CQSZACIVSA-N 1 1 299.374 3.095 20 5 CGBDMO CO[C@H]1CCC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173232460 808542976 /nfs/dbraw/zinc/54/29/76/808542976.db2.gz GVBHFNVABYTPIB-BBRMVZONSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC12CC2 ZINC001173229943 808543118 /nfs/dbraw/zinc/54/31/18/808543118.db2.gz WKLSJHJRXOPVBA-GFCCVEGCSA-N 1 1 260.337 3.154 20 5 CGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC001186633296 810352897 /nfs/dbraw/zinc/35/28/97/810352897.db2.gz PVTVDRAEOVCKGB-NSHDSACASA-N 1 1 283.347 3.266 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001186873344 810368400 /nfs/dbraw/zinc/36/84/00/810368400.db2.gz WILKGKMOEKLHBY-GXTWGEPZSA-N 1 1 293.342 3.163 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001186873347 810368861 /nfs/dbraw/zinc/36/88/61/810368861.db2.gz WILKGKMOEKLHBY-OCCSQVGLSA-N 1 1 293.342 3.163 20 5 CGBDMO CC[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1C ZINC001193607427 810918957 /nfs/dbraw/zinc/91/89/57/810918957.db2.gz UCQRQZQNOCFLQL-KOLCDFICSA-N 1 1 254.355 3.277 20 5 CGBDMO Nc1ccc(Nc2cccc3cc[nH+]cc32)cc1[N+](=O)[O-] ZINC001209936206 814204603 /nfs/dbraw/zinc/20/46/03/814204603.db2.gz YKCZBXHTBFKPCS-UHFFFAOYSA-N 1 1 280.287 3.469 20 5 CGBDMO Cc1cccc(CO[C@@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001223660603 816664707 /nfs/dbraw/zinc/66/47/07/816664707.db2.gz GLUHCQPSNJZCSA-OAHLLOKOSA-N 1 1 292.379 3.293 20 5 CGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC001225710169 817152149 /nfs/dbraw/zinc/15/21/49/817152149.db2.gz HPUJGQVZXWCZFR-ZSBIGDGJSA-N 1 1 296.754 3.252 20 5 CGBDMO C[N@H+]1CC[C@H](Oc2ccc3c(c2)oc(=O)c2ccccc32)C1 ZINC001226511807 817380409 /nfs/dbraw/zinc/38/04/09/817380409.db2.gz JZOOETHTVZTBGZ-ZDUSSCGKSA-N 1 1 295.338 3.029 20 5 CGBDMO C[N@H+]1CCC[C@@H](Oc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001228002934 817780875 /nfs/dbraw/zinc/78/08/75/817780875.db2.gz SYBQATRSDLICET-SNVBAGLBSA-N 1 1 284.743 3.111 20 5 CGBDMO C[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001228754383 817999377 /nfs/dbraw/zinc/99/93/77/817999377.db2.gz BICQLTBCYUXCFU-JTQLQIEISA-N 1 1 284.743 3.111 20 5 CGBDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001228758933 818001095 /nfs/dbraw/zinc/00/10/95/818001095.db2.gz OETDLZCJIIMPSG-LBPRGKRZSA-N 1 1 298.770 3.500 20 5 CGBDMO C[N@H+]1CCC[C@H](Oc2ccnc3c2ccc2cccnc23)C1 ZINC001234086452 818776069 /nfs/dbraw/zinc/77/60/69/818776069.db2.gz GBFFVGXINHREED-AWEZNQCLSA-N 1 1 293.370 3.256 20 5 CGBDMO CC[N@H+]1CCC[C@@H](Oc2cc(C)c([N+](=O)[O-])c(C)c2C)C1 ZINC001234870102 818940064 /nfs/dbraw/zinc/94/00/64/818940064.db2.gz FJSUHFQURNRNQS-CQSZACIVSA-N 1 1 292.379 3.383 20 5 CGBDMO Cc1ccc(CCC[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001344366386 936531187 /nfs/dbraw/zinc/53/11/87/936531187.db2.gz LVKYLJLGKCMDEH-UHFFFAOYSA-N 1 1 297.358 3.247 20 5 CGBDMO Cc1ccc(CCC[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001344366386 936531189 /nfs/dbraw/zinc/53/11/89/936531189.db2.gz LVKYLJLGKCMDEH-UHFFFAOYSA-N 1 1 297.358 3.247 20 5 CGBDMO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001229881423 932497905 /nfs/dbraw/zinc/49/79/05/932497905.db2.gz WEWIQCLCNFNEHV-CQSZACIVSA-N 1 1 292.379 3.463 20 5 CGBDMO CC(C)[N@H+]1CC[C@H](Oc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001229964557 932511361 /nfs/dbraw/zinc/51/13/61/932511361.db2.gz SROPRZZNJFAJRL-NSHDSACASA-N 1 1 284.743 3.110 20 5 CGBDMO Cc1c(C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC001307850877 933010407 /nfs/dbraw/zinc/01/04/07/933010407.db2.gz AXLHSTRHTFMGRA-GMXVVIOVSA-N 1 1 262.353 3.380 20 5 CGBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC001307962170 933027734 /nfs/dbraw/zinc/02/77/34/933027734.db2.gz KFBGGXHEVKBCGH-SNVBAGLBSA-N 1 1 266.316 3.212 20 5 CGBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC001307962170 933027736 /nfs/dbraw/zinc/02/77/36/933027736.db2.gz KFBGGXHEVKBCGH-SNVBAGLBSA-N 1 1 266.316 3.212 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001308601543 933140582 /nfs/dbraw/zinc/14/05/82/933140582.db2.gz UHTKYROGZVRNEK-OKILXGFUSA-N 1 1 274.364 3.299 20 5 CGBDMO Cc1[nH+]ccn1CCCSCc1ccccc1[N+](=O)[O-] ZINC001325369653 934908002 /nfs/dbraw/zinc/90/80/02/934908002.db2.gz KQVPUVDQCOJUAU-UHFFFAOYSA-N 1 1 291.376 3.423 20 5 CGBDMO C[C@]1(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCCS1 ZINC001329148145 935189994 /nfs/dbraw/zinc/18/99/94/935189994.db2.gz XSARIFCIQPLKAD-OAHLLOKOSA-N 1 1 292.404 3.239 20 5 CGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001474336663 937852569 /nfs/dbraw/zinc/85/25/69/937852569.db2.gz CFZBAUZMHWJLNN-NFAWXSAZSA-N 1 1 274.364 3.463 20 5 CGBDMO CC(C)c1ccc([C@@H]2CCC[N@H+]2CC[N+](=O)[O-])cc1 ZINC001559719050 938233451 /nfs/dbraw/zinc/23/34/51/938233451.db2.gz RVPCACZZQVQDBC-HNNXBMFYSA-N 1 1 262.353 3.224 20 5 CGBDMO CC(C)c1ccc([C@H]2CCC[N@H+]2CC[N+](=O)[O-])cc1 ZINC001559719051 938233526 /nfs/dbraw/zinc/23/35/26/938233526.db2.gz RVPCACZZQVQDBC-OAHLLOKOSA-N 1 1 262.353 3.224 20 5 CGBDMO CCC[C@H](N[C@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000591578223 346930304 /nfs/dbraw/zinc/93/03/04/346930304.db2.gz BMKKNVAKNGLJJB-HOCLYGCPSA-N 1 1 291.395 3.168 20 5 CGBDMO Cc1c(C[N@@H+](C)[C@@H](C)c2ccccn2)cccc1[N+](=O)[O-] ZINC000128004513 187346208 /nfs/dbraw/zinc/34/62/08/187346208.db2.gz RAILJADBZPTPMZ-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1c(C[N@H+](C)[C@@H](C)c2ccccn2)cccc1[N+](=O)[O-] ZINC000128004513 187346210 /nfs/dbraw/zinc/34/62/10/187346210.db2.gz RAILJADBZPTPMZ-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO CC(C)O[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000592134143 346965915 /nfs/dbraw/zinc/96/59/15/346965915.db2.gz PXBFRNSMQLARAG-QWHCGFSZSA-N 1 1 278.352 3.155 20 5 CGBDMO CC(C)O[C@@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000592133927 346965934 /nfs/dbraw/zinc/96/59/34/346965934.db2.gz ACRFPEAGYBPRQF-IUODEOHRSA-N 1 1 278.352 3.155 20 5 CGBDMO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592187175 346970169 /nfs/dbraw/zinc/97/01/69/346970169.db2.gz HVPJIMVECHFUEB-ZDUSSCGKSA-N 1 1 290.363 3.128 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592187175 346970173 /nfs/dbraw/zinc/97/01/73/346970173.db2.gz HVPJIMVECHFUEB-ZDUSSCGKSA-N 1 1 290.363 3.128 20 5 CGBDMO CC(C)O[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000593055547 347033507 /nfs/dbraw/zinc/03/35/07/347033507.db2.gz LJWGVPXCHZMJLC-LBPRGKRZSA-N 1 1 296.342 3.123 20 5 CGBDMO CC(C)O[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000593055547 347033511 /nfs/dbraw/zinc/03/35/11/347033511.db2.gz LJWGVPXCHZMJLC-LBPRGKRZSA-N 1 1 296.342 3.123 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccco2)C2CC2)c1 ZINC000045004743 345018784 /nfs/dbraw/zinc/01/87/84/345018784.db2.gz BOHLXJDKXNHFPD-UHFFFAOYSA-N 1 1 272.304 3.352 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccco2)C2CC2)c1 ZINC000045004743 345018787 /nfs/dbraw/zinc/01/87/87/345018787.db2.gz BOHLXJDKXNHFPD-UHFFFAOYSA-N 1 1 272.304 3.352 20 5 CGBDMO Cc1c(C[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000051112584 345087225 /nfs/dbraw/zinc/08/72/25/345087225.db2.gz XWOIJGBXGZIYHM-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO CC(C)[N@H+]1CCC[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000069064174 345371628 /nfs/dbraw/zinc/37/16/28/345371628.db2.gz ZPQFTOVVXCECRQ-LBPRGKRZSA-N 1 1 295.358 3.266 20 5 CGBDMO CC[C@H](CSC)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000091097164 345804214 /nfs/dbraw/zinc/80/42/14/345804214.db2.gz NMGNNCHMYYETPB-SNVBAGLBSA-N 1 1 274.411 3.230 20 5 CGBDMO Cc1noc(C[N@@H+]2CCC[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000595288191 347286459 /nfs/dbraw/zinc/28/64/59/347286459.db2.gz LSJJIWXJCDYVIX-JTQLQIEISA-N 1 1 293.348 3.290 20 5 CGBDMO Cc1noc(C[N@H+]2CCC[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000595288191 347286460 /nfs/dbraw/zinc/28/64/60/347286460.db2.gz LSJJIWXJCDYVIX-JTQLQIEISA-N 1 1 293.348 3.290 20 5 CGBDMO Cc1noc(C[N@H+](C)CCC2CCCCC2)c1[N+](=O)[O-] ZINC000595300950 347289499 /nfs/dbraw/zinc/28/94/99/347289499.db2.gz GNDAXUGZWGIPQW-UHFFFAOYSA-N 1 1 281.356 3.293 20 5 CGBDMO Cc1noc(C[N@@H+](C)CCC2CCCCC2)c1[N+](=O)[O-] ZINC000595300950 347289503 /nfs/dbraw/zinc/28/95/03/347289503.db2.gz GNDAXUGZWGIPQW-UHFFFAOYSA-N 1 1 281.356 3.293 20 5 CGBDMO Cc1noc(C[N@H+]2CC=C(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000595394051 347298440 /nfs/dbraw/zinc/29/84/40/347298440.db2.gz VLSRLQMKARLMJD-UHFFFAOYSA-N 1 1 279.340 3.069 20 5 CGBDMO Cc1noc(C[N@@H+]2CC=C(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000595394051 347298446 /nfs/dbraw/zinc/29/84/46/347298446.db2.gz VLSRLQMKARLMJD-UHFFFAOYSA-N 1 1 279.340 3.069 20 5 CGBDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595407619 347299328 /nfs/dbraw/zinc/29/93/28/347299328.db2.gz CLAUWRBXQJTKKR-GWCFXTLKSA-N 1 1 266.316 3.497 20 5 CGBDMO CCC[N@@H+]1CC[C@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000595096894 347282792 /nfs/dbraw/zinc/28/27/92/347282792.db2.gz NSMPVXNAFZXTSH-KBPBESRZSA-N 1 1 291.395 3.038 20 5 CGBDMO CCC[N@H+]1CC[C@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000595096894 347282797 /nfs/dbraw/zinc/28/27/97/347282797.db2.gz NSMPVXNAFZXTSH-KBPBESRZSA-N 1 1 291.395 3.038 20 5 CGBDMO CC[C@@H](C)[N@@H+](CC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595602903 347325077 /nfs/dbraw/zinc/32/50/77/347325077.db2.gz YAMQEJTZAUUZMB-GFCCVEGCSA-N 1 1 293.367 3.044 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595688500 347337295 /nfs/dbraw/zinc/33/72/95/347337295.db2.gz IKQPCTODCITCEQ-VBNZEHGJSA-N 1 1 290.363 3.014 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)cs1 ZINC000595568589 347320448 /nfs/dbraw/zinc/32/04/48/347320448.db2.gz XCEKFBBOWTYMHC-QWRGUYRKSA-N 1 1 252.339 3.031 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)cs1 ZINC000595568589 347320450 /nfs/dbraw/zinc/32/04/50/347320450.db2.gz XCEKFBBOWTYMHC-QWRGUYRKSA-N 1 1 252.339 3.031 20 5 CGBDMO CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595867035 347369167 /nfs/dbraw/zinc/36/91/67/347369167.db2.gz JRQVPXFCTJHVEB-GXSJLCMTSA-N 1 1 267.329 3.044 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000597159904 347542272 /nfs/dbraw/zinc/54/22/72/347542272.db2.gz SWSRZEZJMPUYEW-ZFWWWQNUSA-N 1 1 260.337 3.278 20 5 CGBDMO Cc1noc(C[N@H+]2CC(C)(C)CCC2(C)C)c1[N+](=O)[O-] ZINC000599538063 347752817 /nfs/dbraw/zinc/75/28/17/347752817.db2.gz JDRKCTYCJLLFHX-UHFFFAOYSA-N 1 1 281.356 3.292 20 5 CGBDMO C[C@H]1CCCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601125396 347872087 /nfs/dbraw/zinc/87/20/87/347872087.db2.gz QEAJMOFEEJOUCO-JTQLQIEISA-N 1 1 257.293 3.132 20 5 CGBDMO CC(C)[N@@H+](CCC[C@@H]1CCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000602439681 347957856 /nfs/dbraw/zinc/95/78/56/347957856.db2.gz KYFSFBRROZIKGY-MRXNPFEDSA-N 1 1 292.379 3.374 20 5 CGBDMO CC(C)[N@@H+](CCC[C@H]1CCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000602439680 347957968 /nfs/dbraw/zinc/95/79/68/347957968.db2.gz KYFSFBRROZIKGY-INIZCTEOSA-N 1 1 292.379 3.374 20 5 CGBDMO C[C@@H]1CCC[C@@H](C)[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000610215397 348367721 /nfs/dbraw/zinc/36/77/21/348367721.db2.gz PBDAXBMYGNDUGJ-ZIAGYGMSSA-N 1 1 292.379 3.484 20 5 CGBDMO CCO[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000610341393 348375864 /nfs/dbraw/zinc/37/58/64/348375864.db2.gz IIUQVWSDMBELRL-CHWSQXEVSA-N 1 1 278.352 3.157 20 5 CGBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+](C3CCCC3)CC2)s1 ZINC000609964917 348359583 /nfs/dbraw/zinc/35/95/83/348359583.db2.gz OLZUSIYXBJBUEF-UHFFFAOYSA-N 1 1 295.408 3.111 20 5 CGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H]3C3CC3)nc2c1 ZINC000610581335 348391302 /nfs/dbraw/zinc/39/13/02/348391302.db2.gz APUSMMZHAPDFRN-CYBMUJFWSA-N 1 1 287.319 3.110 20 5 CGBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000611268550 348433016 /nfs/dbraw/zinc/43/30/16/348433016.db2.gz MWLCVQFCPRRZDR-CQSZACIVSA-N 1 1 260.337 3.278 20 5 CGBDMO Cc1ccncc1[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000611293183 348435773 /nfs/dbraw/zinc/43/57/73/348435773.db2.gz XGLZXKGSTVANCX-SNVBAGLBSA-N 1 1 277.349 3.211 20 5 CGBDMO CCO[C@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000611516482 348458000 /nfs/dbraw/zinc/45/80/00/348458000.db2.gz UKASTXCLTOTHLC-ZFWWWQNUSA-N 1 1 292.379 3.465 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000615942287 348777042 /nfs/dbraw/zinc/77/70/42/348777042.db2.gz WCOOEZYOMJYEQN-LBPRGKRZSA-N 1 1 295.770 3.144 20 5 CGBDMO Cc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)nc1 ZINC000616152079 348791378 /nfs/dbraw/zinc/79/13/78/348791378.db2.gz LHPVFVMMYXNJNW-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO Cc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)nc1 ZINC000616152079 348791382 /nfs/dbraw/zinc/79/13/82/348791382.db2.gz LHPVFVMMYXNJNW-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO Cc1ccoc1C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000292068357 198150505 /nfs/dbraw/zinc/15/05/05/198150505.db2.gz CGWNWTNOZNOCOD-UHFFFAOYSA-N 1 1 274.320 3.437 20 5 CGBDMO Cc1ccoc1C[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000292068357 198150507 /nfs/dbraw/zinc/15/05/07/198150507.db2.gz CGWNWTNOZNOCOD-UHFFFAOYSA-N 1 1 274.320 3.437 20 5 CGBDMO Cc1[nH+]ccn1CCCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000292583704 198340939 /nfs/dbraw/zinc/34/09/39/198340939.db2.gz LEFMDBXCHXUBOB-UHFFFAOYSA-N 1 1 292.314 3.049 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426475636 236297970 /nfs/dbraw/zinc/29/79/70/236297970.db2.gz YSAIHKBBWATIDZ-GWCFXTLKSA-N 1 1 264.300 3.108 20 5 CGBDMO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297163707 200101974 /nfs/dbraw/zinc/10/19/74/200101974.db2.gz CZMBTXKAOBZBOX-CMPLNLGQSA-N 1 1 286.335 3.105 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCC[C@H](C)C1 ZINC000301518795 201043813 /nfs/dbraw/zinc/04/38/13/201043813.db2.gz KNOBERLQJCBSRD-LBPRGKRZSA-N 1 1 277.368 3.047 20 5 CGBDMO C[C@]1(F)CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449349896 239335700 /nfs/dbraw/zinc/33/57/00/239335700.db2.gz KUCXFRFYTAZIND-QZDDGCDVSA-N 1 1 278.327 3.432 20 5 CGBDMO C[C@]1(F)CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449349896 239335705 /nfs/dbraw/zinc/33/57/05/239335705.db2.gz KUCXFRFYTAZIND-QZDDGCDVSA-N 1 1 278.327 3.432 20 5 CGBDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000120490072 370773407 /nfs/dbraw/zinc/77/34/07/370773407.db2.gz XIIDMHYFVLWULA-NEPJUHHUSA-N 1 1 298.408 3.292 20 5 CGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000120490072 370773411 /nfs/dbraw/zinc/77/34/11/370773411.db2.gz XIIDMHYFVLWULA-NEPJUHHUSA-N 1 1 298.408 3.292 20 5 CGBDMO CO[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451539070 240322319 /nfs/dbraw/zinc/32/23/19/240322319.db2.gz DZTBLBDUYRDECM-SLEUVZQESA-N 1 1 278.352 3.013 20 5 CGBDMO COc1cc(C[N@@H+](C)C2CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000459743960 242206214 /nfs/dbraw/zinc/20/62/14/242206214.db2.gz QTGFJPXJTHXSDX-UHFFFAOYSA-N 1 1 278.352 3.224 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+]Cc2ccccn2)cc1[N+](=O)[O-] ZINC000020091706 368800550 /nfs/dbraw/zinc/80/05/50/368800550.db2.gz RLSXVPQHVSTNGO-LBPRGKRZSA-N 1 1 271.320 3.149 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC000035013323 368989333 /nfs/dbraw/zinc/98/93/33/368989333.db2.gz ACSJPXFSWKTVSV-NSHDSACASA-N 1 1 260.293 3.347 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000330713198 203144900 /nfs/dbraw/zinc/14/49/00/203144900.db2.gz RFHBSMOFQDPUFX-CJNGLKHVSA-N 1 1 292.379 3.321 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000330713198 203144903 /nfs/dbraw/zinc/14/49/03/203144903.db2.gz RFHBSMOFQDPUFX-CJNGLKHVSA-N 1 1 292.379 3.321 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000330734046 203168156 /nfs/dbraw/zinc/16/81/56/203168156.db2.gz UJNNCZOBFMMNJL-HIFRSBDPSA-N 1 1 292.379 3.465 20 5 CGBDMO CCC[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553717 369409635 /nfs/dbraw/zinc/40/96/35/369409635.db2.gz IILYKMLIQFPNSO-XJKSGUPXSA-N 1 1 293.411 3.366 20 5 CGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000276358836 193298724 /nfs/dbraw/zinc/29/87/24/193298724.db2.gz YDLMINUZQVNAQN-UHFFFAOYSA-N 1 1 252.289 3.107 20 5 CGBDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000060991776 369594110 /nfs/dbraw/zinc/59/41/10/369594110.db2.gz YOAKWXSONYUWJB-LBPRGKRZSA-N 1 1 295.358 3.410 20 5 CGBDMO CC(C)OCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350204 369653552 /nfs/dbraw/zinc/65/35/52/369653552.db2.gz NYNFQAAALJGDCT-UHFFFAOYSA-N 1 1 280.368 3.230 20 5 CGBDMO CCC(CC)[N@@H+](CCOC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103482362 370331125 /nfs/dbraw/zinc/33/11/25/370331125.db2.gz DJWCSZQBWDDKDK-UHFFFAOYSA-N 1 1 298.358 3.371 20 5 CGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C(C)(C)C ZINC000343990431 217006073 /nfs/dbraw/zinc/00/60/73/217006073.db2.gz SXJHPKCBWXQFFH-OAHLLOKOSA-N 1 1 294.395 3.212 20 5 CGBDMO CCc1cnc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000130613126 371047061 /nfs/dbraw/zinc/04/70/61/371047061.db2.gz XZEFFZVRXRRXOD-SNVBAGLBSA-N 1 1 291.376 3.465 20 5 CGBDMO COc1ccc(C[NH2+][C@@H](C)c2ccoc2)cc1[N+](=O)[O-] ZINC000134067772 371299838 /nfs/dbraw/zinc/29/98/38/371299838.db2.gz JYKDLDYDGJLQHG-JTQLQIEISA-N 1 1 276.292 3.047 20 5 CGBDMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ncc[nH]2)cc1[N+](=O)[O-] ZINC000139029186 371506249 /nfs/dbraw/zinc/50/62/49/371506249.db2.gz GNDLIFBAONYGRM-WDEREUQCSA-N 1 1 274.324 3.038 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](C3CC3)C2)cs1 ZINC000344034202 217019660 /nfs/dbraw/zinc/01/96/60/217019660.db2.gz GWNLFPPTVKGFFF-LBPRGKRZSA-N 1 1 266.366 3.278 20 5 CGBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000429135842 372316523 /nfs/dbraw/zinc/31/65/23/372316523.db2.gz NZDPUWUKHRWCAZ-ZDUSSCGKSA-N 1 1 298.342 3.378 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000429135842 372316529 /nfs/dbraw/zinc/31/65/29/372316529.db2.gz NZDPUWUKHRWCAZ-ZDUSSCGKSA-N 1 1 298.342 3.378 20 5 CGBDMO CCCC[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163269107 372458387 /nfs/dbraw/zinc/45/83/87/372458387.db2.gz GXSPWLHPPQXGHZ-UHFFFAOYSA-N 1 1 256.733 3.480 20 5 CGBDMO CCCC[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163269107 372458392 /nfs/dbraw/zinc/45/83/92/372458392.db2.gz GXSPWLHPPQXGHZ-UHFFFAOYSA-N 1 1 256.733 3.480 20 5 CGBDMO C[C@H]1C[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000432321985 372558151 /nfs/dbraw/zinc/55/81/51/372558151.db2.gz JQKIRIVSPAAMEI-VHSXEESVSA-N 1 1 295.770 3.285 20 5 CGBDMO C[C@H](NCC[C@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296751564 373235999 /nfs/dbraw/zinc/23/59/99/373235999.db2.gz PSCSOWQCUYQCFK-DZGCQCFKSA-N 1 1 291.395 3.120 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000444771998 373267653 /nfs/dbraw/zinc/26/76/53/373267653.db2.gz LQQSPLMYENWNCR-AWEZNQCLSA-N 1 1 292.379 3.471 20 5 CGBDMO C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2C1 ZINC000353585961 220174650 /nfs/dbraw/zinc/17/46/50/220174650.db2.gz AXERBSQNTMHUAI-UHFFFAOYSA-N 1 1 297.358 3.047 20 5 CGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000447810506 373496873 /nfs/dbraw/zinc/49/68/73/373496873.db2.gz JECQCNBZOSLZEN-AWEZNQCLSA-N 1 1 277.368 3.127 20 5 CGBDMO CCOC[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000176341405 373584118 /nfs/dbraw/zinc/58/41/18/373584118.db2.gz GMRVAWDVTXGWCP-LLVKDONJSA-N 1 1 298.770 3.107 20 5 CGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000301123419 373670330 /nfs/dbraw/zinc/67/03/30/373670330.db2.gz ZQWJBYDGPIZFEK-STQMWFEESA-N 1 1 277.368 3.127 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H]1C1CC1 ZINC000449425927 373698747 /nfs/dbraw/zinc/69/87/47/373698747.db2.gz NOLFGNCPTLZWHT-MFBWXBCUSA-N 1 1 258.321 3.092 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1(C)C ZINC000449496841 373792595 /nfs/dbraw/zinc/79/25/95/373792595.db2.gz HSNQRMQSMQBJJO-HNNXBMFYSA-N 1 1 292.379 3.150 20 5 CGBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302781027 373960322 /nfs/dbraw/zinc/96/03/22/373960322.db2.gz RPGVXSCDXVLVQV-AWEZNQCLSA-N 1 1 297.786 3.025 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](CCCO)C1 ZINC000452113476 374238139 /nfs/dbraw/zinc/23/81/39/374238139.db2.gz CAGFIQBYGBKVRI-UONOGXRCSA-N 1 1 292.379 3.059 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000182842920 374334542 /nfs/dbraw/zinc/33/45/42/374334542.db2.gz PLCOJWHFAJPHQK-CJNGLKHVSA-N 1 1 290.363 3.077 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000182693616 374313659 /nfs/dbraw/zinc/31/36/59/374313659.db2.gz UOVOLOIVTWEHFW-QWHCGFSZSA-N 1 1 292.379 3.464 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000182693616 374313668 /nfs/dbraw/zinc/31/36/68/374313668.db2.gz UOVOLOIVTWEHFW-QWHCGFSZSA-N 1 1 292.379 3.464 20 5 CGBDMO CCOc1cc(C[N@@H+]2[C@H](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331187506 374512930 /nfs/dbraw/zinc/51/29/30/374512930.db2.gz UDPXBDJEBZWVPR-TXEJJXNPSA-N 1 1 278.352 3.366 20 5 CGBDMO CC[C@]1(C)CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000464782277 374899954 /nfs/dbraw/zinc/89/99/54/374899954.db2.gz WLWAMWVKNZVYQS-MRXNPFEDSA-N 1 1 292.379 3.486 20 5 CGBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(C)CCCC1 ZINC000489890946 375319968 /nfs/dbraw/zinc/31/99/68/375319968.db2.gz ORRHNOPCXWVBPL-UHFFFAOYSA-N 1 1 288.351 3.236 20 5 CGBDMO CC1(C)CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000497387671 375596073 /nfs/dbraw/zinc/59/60/73/375596073.db2.gz JAEBYOANKIRILQ-UHFFFAOYSA-N 1 1 278.352 3.096 20 5 CGBDMO Cc1cccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000536001214 376075094 /nfs/dbraw/zinc/07/50/94/376075094.db2.gz AXUONHNQPBFTED-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO Cc1cccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000536001214 376075099 /nfs/dbraw/zinc/07/50/99/376075099.db2.gz AXUONHNQPBFTED-UHFFFAOYSA-N 1 1 282.343 3.462 20 5 CGBDMO CC(C)[N@H+]1CC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000227889168 376417261 /nfs/dbraw/zinc/41/72/61/376417261.db2.gz AGKLVNONRBBYBC-SNVBAGLBSA-N 1 1 299.321 3.015 20 5 CGBDMO C[N@@H+](CCCc1ccncc1)CCc1cccc([N+](=O)[O-])c1 ZINC000338380550 376356679 /nfs/dbraw/zinc/35/66/79/376356679.db2.gz KQMJNIQXGUPJRB-UHFFFAOYSA-N 1 1 299.374 3.097 20 5 CGBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000229327761 376462484 /nfs/dbraw/zinc/46/24/84/376462484.db2.gz PGLWEHJPXCBJFK-LBPRGKRZSA-N 1 1 265.357 3.045 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000542702602 376570604 /nfs/dbraw/zinc/57/06/04/376570604.db2.gz KRUNACKWQLWNHX-OAHLLOKOSA-N 1 1 294.420 3.477 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCS[C@H](C)C1 ZINC000246077681 376962484 /nfs/dbraw/zinc/96/24/84/376962484.db2.gz CYMQGKSDNCSLPS-GHMZBOCLSA-N 1 1 266.366 3.093 20 5 CGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1C=CCCC1 ZINC000558741356 377042219 /nfs/dbraw/zinc/04/22/19/377042219.db2.gz UIWYHKGIJOEPKL-AWEZNQCLSA-N 1 1 260.337 3.178 20 5 CGBDMO C[C@@H](NCC[N@@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000247064915 377151799 /nfs/dbraw/zinc/15/17/99/377151799.db2.gz OADAVMUTGQBQLI-ZIAGYGMSSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@@H](NCC[N@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000247064915 377151806 /nfs/dbraw/zinc/15/18/06/377151806.db2.gz OADAVMUTGQBQLI-ZIAGYGMSSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[C@@]1(C)C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000248986612 377438161 /nfs/dbraw/zinc/43/81/61/377438161.db2.gz WLCAPXMYWDMSIJ-DOMZBBRYSA-N 1 1 278.352 3.157 20 5 CGBDMO CC[C@@]1(C)C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000248986612 377438167 /nfs/dbraw/zinc/43/81/67/377438167.db2.gz WLCAPXMYWDMSIJ-DOMZBBRYSA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000516294664 249230636 /nfs/dbraw/zinc/23/06/36/249230636.db2.gz ZUYHEVAIRHYFQH-INIZCTEOSA-N 1 1 297.358 3.288 20 5 CGBDMO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000252443464 377622340 /nfs/dbraw/zinc/62/23/40/377622340.db2.gz ZIUXBIXWDROZNT-LALPHHSUSA-N 1 1 278.352 3.155 20 5 CGBDMO CC[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000252443464 377622344 /nfs/dbraw/zinc/62/23/44/377622344.db2.gz ZIUXBIXWDROZNT-LALPHHSUSA-N 1 1 278.352 3.155 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC[C@H]1CCCO1 ZINC000342595158 377680253 /nfs/dbraw/zinc/68/02/53/377680253.db2.gz HFDBVYGOOOEAMZ-IUODEOHRSA-N 1 1 278.352 3.157 20 5 CGBDMO CSC[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255673278 377774933 /nfs/dbraw/zinc/77/49/33/377774933.db2.gz RPXWLXADMUMERW-ZBKLQPJUSA-N 1 1 292.404 3.435 20 5 CGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]2C2CCC2)c1 ZINC000343014912 377881828 /nfs/dbraw/zinc/88/18/28/377881828.db2.gz LLMGTGQIZCOMJH-INIZCTEOSA-N 1 1 290.363 3.238 20 5 CGBDMO Cc1c(C[N@H+]2CCC[C@@]2(C)CCCO)cccc1[N+](=O)[O-] ZINC000271184981 378474293 /nfs/dbraw/zinc/47/42/93/378474293.db2.gz IWKXMGPYMCKJQR-INIZCTEOSA-N 1 1 292.379 3.030 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCSCC1 ZINC000272370988 378622312 /nfs/dbraw/zinc/62/23/12/378622312.db2.gz AVHXMOAHSAXUHG-GFCCVEGCSA-N 1 1 280.393 3.403 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000272518053 378656115 /nfs/dbraw/zinc/65/61/15/378656115.db2.gz KYMVUSYYLVLNKS-WWGRRREGSA-N 1 1 292.379 3.139 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC3(CCC3)C2)cc1 ZINC000348165486 378819189 /nfs/dbraw/zinc/81/91/89/378819189.db2.gz DCNDQHGLSQPDMJ-UHFFFAOYSA-N 1 1 274.364 3.403 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346968741 218072909 /nfs/dbraw/zinc/07/29/09/218072909.db2.gz DWOMISRBHABXGG-OAHLLOKOSA-N 1 1 283.331 3.327 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346968741 218072912 /nfs/dbraw/zinc/07/29/12/218072912.db2.gz DWOMISRBHABXGG-OAHLLOKOSA-N 1 1 283.331 3.327 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cs1 ZINC000278634329 194078163 /nfs/dbraw/zinc/07/81/63/194078163.db2.gz GNOAFLZDPHSSJW-QMMMGPOBSA-N 1 1 294.298 3.431 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)cs1 ZINC000278634329 194078164 /nfs/dbraw/zinc/07/81/64/194078164.db2.gz GNOAFLZDPHSSJW-QMMMGPOBSA-N 1 1 294.298 3.431 20 5 CGBDMO CCOC1CC([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000347464266 218243360 /nfs/dbraw/zinc/24/33/60/218243360.db2.gz XNPGEKWZFHFKJD-UHFFFAOYSA-N 1 1 298.770 3.248 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000374007295 379362293 /nfs/dbraw/zinc/36/22/93/379362293.db2.gz DYCFSTRHGBRSTK-CQSZACIVSA-N 1 1 286.331 3.220 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000374007648 379363025 /nfs/dbraw/zinc/36/30/25/379363025.db2.gz JQDYONXQBBGVPO-NSHDSACASA-N 1 1 290.294 3.316 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000377541903 379692340 /nfs/dbraw/zinc/69/23/40/379692340.db2.gz FICXCJQODUQMKV-CYBMUJFWSA-N 1 1 264.300 3.108 20 5 CGBDMO Cc1cnc([C@@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000352562742 379859587 /nfs/dbraw/zinc/85/95/87/379859587.db2.gz MDLVVEKLYXFQLZ-GFCCVEGCSA-N 1 1 289.335 3.127 20 5 CGBDMO Cc1cnc([C@@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000352562742 379859596 /nfs/dbraw/zinc/85/95/96/379859596.db2.gz MDLVVEKLYXFQLZ-GFCCVEGCSA-N 1 1 289.335 3.127 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CC2CC2)C2CCC2)c(F)c1 ZINC000355680805 380748342 /nfs/dbraw/zinc/74/83/42/380748342.db2.gz LWZVZYUBQZZXOV-UHFFFAOYSA-N 1 1 278.327 3.498 20 5 CGBDMO COc1cc(C[N@H+]2CCCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000360620302 381596452 /nfs/dbraw/zinc/59/64/52/381596452.db2.gz OFVLSROWGUXTBU-NSHDSACASA-N 1 1 296.342 3.365 20 5 CGBDMO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CCC1 ZINC000361488340 381770401 /nfs/dbraw/zinc/77/04/01/381770401.db2.gz YZSAZBVTGKOWPG-UHFFFAOYSA-N 1 1 289.335 3.358 20 5 CGBDMO Cc1ccc2c(c1)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000361593864 381824525 /nfs/dbraw/zinc/82/45/25/381824525.db2.gz JZWPMVAHVUPKAE-UHFFFAOYSA-N 1 1 298.342 3.298 20 5 CGBDMO Cc1ccc2c(c1)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000361593864 381824534 /nfs/dbraw/zinc/82/45/34/381824534.db2.gz JZWPMVAHVUPKAE-UHFFFAOYSA-N 1 1 298.342 3.298 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@H](C)C2CCC2)c([N+](=O)[O-])cc1F ZINC000362175642 381899238 /nfs/dbraw/zinc/89/92/38/381899238.db2.gz FVZKOSJHXWWFAL-SNVBAGLBSA-N 1 1 296.342 3.363 20 5 CGBDMO COc1cc(C[N@H+]2C[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000362313278 381939488 /nfs/dbraw/zinc/93/94/88/381939488.db2.gz CELWJQINFZHOLA-MNOVXSKESA-N 1 1 296.342 3.363 20 5 CGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000353783512 220327160 /nfs/dbraw/zinc/32/71/60/220327160.db2.gz XSNHZONLYMPEFD-HUUCEWRRSA-N 1 1 292.379 3.230 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CC=CCC1)CCO2 ZINC000356513787 285142052 /nfs/dbraw/zinc/14/20/52/285142052.db2.gz CBVNJQTWHXGUOD-CYBMUJFWSA-N 1 1 288.347 3.146 20 5 CGBDMO C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000353846671 220361731 /nfs/dbraw/zinc/36/17/31/220361731.db2.gz QICPBYDQSZWTGG-SECBINFHSA-N 1 1 254.355 3.277 20 5 CGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1sccc1[N+](=O)[O-] ZINC000302003283 542413946 /nfs/dbraw/zinc/41/39/46/542413946.db2.gz TXABPAOYWWMXBC-MNOVXSKESA-N 1 1 283.397 3.189 20 5 CGBDMO CO[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000281801035 195387510 /nfs/dbraw/zinc/38/75/10/195387510.db2.gz VJHNBEIRAOZRBM-CMPLNLGQSA-N 1 1 298.770 3.248 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000281801035 195387511 /nfs/dbraw/zinc/38/75/11/195387511.db2.gz VJHNBEIRAOZRBM-CMPLNLGQSA-N 1 1 298.770 3.248 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCSC[C@@H](C)C1 ZINC000190428173 130102774 /nfs/dbraw/zinc/10/27/74/130102774.db2.gz YSFDPPYNTUSLCP-RYUDHWBXSA-N 1 1 280.393 3.341 20 5 CGBDMO COc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000051112589 392067524 /nfs/dbraw/zinc/06/75/24/392067524.db2.gz KPDJAEDDRGBYND-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO COc1ccc(C[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000051112589 392067529 /nfs/dbraw/zinc/06/75/29/392067529.db2.gz KPDJAEDDRGBYND-UHFFFAOYSA-N 1 1 298.342 3.162 20 5 CGBDMO C[C@@H](CF)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291633457 392472987 /nfs/dbraw/zinc/47/29/87/392472987.db2.gz SNZUIEGGGWMIOH-LURJTMIESA-N 1 1 281.114 3.349 20 5 CGBDMO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000297329243 392568780 /nfs/dbraw/zinc/56/87/80/392568780.db2.gz NWIGHZXOLFQJHK-COPLHBTASA-N 1 1 286.335 3.148 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2C2CC2)cc1F ZINC000374867137 392710494 /nfs/dbraw/zinc/71/04/94/392710494.db2.gz BPIZUKGHTIHVIW-CYBMUJFWSA-N 1 1 264.300 3.108 20 5 CGBDMO CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000520172446 392907615 /nfs/dbraw/zinc/90/76/15/392907615.db2.gz ILFKATCNHJHQRQ-UHFFFAOYSA-N 1 1 280.368 3.342 20 5 CGBDMO C[C@H]1CCCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000512186486 392850368 /nfs/dbraw/zinc/85/03/68/392850368.db2.gz VYWUFLUDWNKYOZ-ZDUSSCGKSA-N 1 1 262.353 3.402 20 5 CGBDMO CC(C)C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000466706734 393047694 /nfs/dbraw/zinc/04/76/94/393047694.db2.gz KTQZDDGFQHYNSS-AWEZNQCLSA-N 1 1 292.379 3.342 20 5 CGBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000466923471 393072886 /nfs/dbraw/zinc/07/28/86/393072886.db2.gz KNOSFDRECNQPJH-AAEUAGOBSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000475156373 393378722 /nfs/dbraw/zinc/37/87/22/393378722.db2.gz WOEDGADRASHLRR-FRRDWIJNSA-N 1 1 262.353 3.461 20 5 CGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000481390582 393437965 /nfs/dbraw/zinc/43/79/65/393437965.db2.gz ZCSFMZKYYSYYFS-GXFFZTMASA-N 1 1 296.342 3.363 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000482859626 393440743 /nfs/dbraw/zinc/44/07/43/393440743.db2.gz SHFXPMPUTXCNHL-UWVGGRQHSA-N 1 1 268.744 3.479 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CCCCC1 ZINC000430201092 393538082 /nfs/dbraw/zinc/53/80/82/393538082.db2.gz JATQMVKJFQRWBK-UHFFFAOYSA-N 1 1 278.352 3.368 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CC[C@H](C)C1 ZINC000430241458 393547774 /nfs/dbraw/zinc/54/77/74/393547774.db2.gz VYPOTFPNKWEGOS-AAEUAGOBSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CCO)CC1 ZINC000421023927 393580814 /nfs/dbraw/zinc/58/08/14/393580814.db2.gz WUMZUVXAYKNAAQ-KBPBESRZSA-N 1 1 292.379 3.140 20 5 CGBDMO CC[C@H]1CCCC[N@H+]1CCNc1ccccc1[N+](=O)[O-] ZINC000500421740 393827811 /nfs/dbraw/zinc/82/78/11/393827811.db2.gz OMDRBWFCJQLIJZ-ZDUSSCGKSA-N 1 1 277.368 3.271 20 5 CGBDMO CC(C)C[C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000500461079 393829735 /nfs/dbraw/zinc/82/97/35/393829735.db2.gz JZEGKZCOZMEJFV-CQSZACIVSA-N 1 1 292.379 3.484 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000449538112 393888290 /nfs/dbraw/zinc/88/82/90/393888290.db2.gz KEKHNAQRYXWPJI-ZBFHGGJFSA-N 1 1 272.348 3.215 20 5 CGBDMO Cc1noc(C)c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000092329446 165290526 /nfs/dbraw/zinc/29/05/26/165290526.db2.gz AMPDZCUNZWKMLR-VIFPVBQESA-N 1 1 275.308 3.050 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[NH+]1CCCCC1 ZINC000128245914 287306852 /nfs/dbraw/zinc/30/68/52/287306852.db2.gz QFXFCNGULKZAJL-CQSZACIVSA-N 1 1 291.395 3.040 20 5 CGBDMO CC[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000522712352 270106757 /nfs/dbraw/zinc/10/67/57/270106757.db2.gz LZQSLOGMEUUYAP-AWEZNQCLSA-N 1 1 292.379 3.486 20 5 CGBDMO CCc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)on1 ZINC000531979571 270211857 /nfs/dbraw/zinc/21/18/57/270211857.db2.gz KFSYGPFSLSUXJV-LLVKDONJSA-N 1 1 289.335 3.304 20 5 CGBDMO C[C@@H]1C[C@H](C)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000532780017 270219507 /nfs/dbraw/zinc/21/95/07/270219507.db2.gz BEVRJCUUVCJLFY-CHWSQXEVSA-N 1 1 262.353 3.463 20 5 CGBDMO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C)C(C)C ZINC000444594707 276144523 /nfs/dbraw/zinc/14/45/23/276144523.db2.gz UXZHRTXIZUEMLN-NSHDSACASA-N 1 1 290.367 3.338 20 5 CGBDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000091772585 277285661 /nfs/dbraw/zinc/28/56/61/277285661.db2.gz DYQIWYJNOHZUQI-CQSZACIVSA-N 1 1 292.379 3.329 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC(C)(C)C ZINC000094774713 523273630 /nfs/dbraw/zinc/27/36/30/523273630.db2.gz LEOAALOZUZBOHR-UHFFFAOYSA-N 1 1 254.305 3.212 20 5 CGBDMO Cc1ncc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000084440094 527272340 /nfs/dbraw/zinc/27/23/40/527272340.db2.gz AKNMADMILFEVDS-UHFFFAOYSA-N 1 1 297.767 3.303 20 5 CGBDMO CC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425382883 528770022 /nfs/dbraw/zinc/77/00/22/528770022.db2.gz JEBRCZIFXTZKAR-UHFFFAOYSA-N 1 1 299.168 3.342 20 5 CGBDMO CCCC[C@H](CN)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423298273 528956684 /nfs/dbraw/zinc/95/66/84/528956684.db2.gz NVGAFZMJLOFZSN-TZMCWYRMSA-N 1 1 279.384 3.071 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1C ZINC000741790950 572529261 /nfs/dbraw/zinc/52/92/61/572529261.db2.gz OIQQTFZKGKIBTJ-MNOVXSKESA-N 1 1 266.316 3.354 20 5 CGBDMO COC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000307783428 618078608 /nfs/dbraw/zinc/07/86/08/618078608.db2.gz ZCGCXTJHTWCCOM-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO COC[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000307783428 618078615 /nfs/dbraw/zinc/07/86/15/618078615.db2.gz ZCGCXTJHTWCCOM-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@H]([N@@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21)C1(C)CC1 ZINC000176832612 618742650 /nfs/dbraw/zinc/74/26/50/618742650.db2.gz MPFCJQFBBRHLNP-NSHDSACASA-N 1 1 288.351 3.022 20 5 CGBDMO CC1(C)CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154365427 624261836 /nfs/dbraw/zinc/26/18/36/624261836.db2.gz QRDOHHKYBVTLCC-OAHLLOKOSA-N 1 1 292.379 3.140 20 5 CGBDMO Cc1nn(C[N@H+](CC(C)C)CC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000124599288 634458081 /nfs/dbraw/zinc/45/80/81/634458081.db2.gz FZEOKIXNUJRFTL-UHFFFAOYSA-N 1 1 296.415 3.370 20 5 CGBDMO CC(C)c1c[nH]c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000922540486 626012033 /nfs/dbraw/zinc/01/20/33/626012033.db2.gz KIGMLMYCZSVSBH-LLVKDONJSA-N 1 1 288.351 3.292 20 5 CGBDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000839659690 626771415 /nfs/dbraw/zinc/77/14/15/626771415.db2.gz GNTYJVNKEGLJPX-SNVBAGLBSA-N 1 1 266.316 3.354 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000839676409 626776766 /nfs/dbraw/zinc/77/67/66/626776766.db2.gz LWKXZHGNIHMWHX-LBPRGKRZSA-N 1 1 278.327 3.356 20 5 CGBDMO CC[C@]1(C)CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776589706 628222297 /nfs/dbraw/zinc/22/22/97/628222297.db2.gz VMDPOHNCUUOFFG-JKSUJKDBSA-N 1 1 292.379 3.140 20 5 CGBDMO CCOC1CC([N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000805818656 628960314 /nfs/dbraw/zinc/96/03/14/628960314.db2.gz KLPWDTKOJAVOKM-UHFFFAOYSA-N 1 1 298.770 3.248 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(F)(F)CC1 ZINC000796539846 629798147 /nfs/dbraw/zinc/79/81/47/629798147.db2.gz QAWORSXONFMSHG-SNVBAGLBSA-N 1 1 270.279 3.387 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+](CC1CC1)C1CCC1 ZINC000796580561 629802513 /nfs/dbraw/zinc/80/25/13/629802513.db2.gz QRTZBVOOUZJSFP-UHFFFAOYSA-N 1 1 278.327 3.498 20 5 CGBDMO CC1=C(C)C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000796592582 629804308 /nfs/dbraw/zinc/80/43/08/629804308.db2.gz DVRLHIYOAZQZQG-UHFFFAOYSA-N 1 1 264.300 3.276 20 5 CGBDMO CC1=C(C)C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000796592582 629804311 /nfs/dbraw/zinc/80/43/11/629804311.db2.gz DVRLHIYOAZQZQG-UHFFFAOYSA-N 1 1 264.300 3.276 20 5 CGBDMO C[C@@H]1CC(C)(C)C[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000840184819 630812044 /nfs/dbraw/zinc/81/20/44/630812044.db2.gz UJNZNDKKEIWQKS-LLVKDONJSA-N 1 1 288.351 3.022 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000824814433 633294489 /nfs/dbraw/zinc/29/44/89/633294489.db2.gz ADVUPALROZQULO-HZMBPMFUSA-N 1 1 298.770 3.105 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000876696773 634883381 /nfs/dbraw/zinc/88/33/81/634883381.db2.gz XTOOORPBXWYLKT-AWEZNQCLSA-N 1 1 292.379 3.070 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)Cc1cccnc1 ZINC000877169199 635005759 /nfs/dbraw/zinc/00/57/59/635005759.db2.gz JOADBGLAWJWACV-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)Cc1cccnc1 ZINC000877169199 635005761 /nfs/dbraw/zinc/00/57/61/635005761.db2.gz JOADBGLAWJWACV-UHFFFAOYSA-N 1 1 285.347 3.239 20 5 CGBDMO Cc1cccc([C@@H]2CC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)c1 ZINC000886124834 637424910 /nfs/dbraw/zinc/42/49/10/637424910.db2.gz BWJLROMPQTVOHS-OAHLLOKOSA-N 1 1 297.358 3.288 20 5 CGBDMO CC1(C)Nc2ccccc2[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886842932 637714288 /nfs/dbraw/zinc/71/42/88/637714288.db2.gz KJPIYYASWUZAKG-AWEZNQCLSA-N 1 1 298.346 3.025 20 5 CGBDMO C[C@@H](N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000925727664 638583754 /nfs/dbraw/zinc/58/37/54/638583754.db2.gz BHNFBSSTNDQYOW-UPJWGTAASA-N 1 1 291.395 3.151 20 5 CGBDMO COC/C(C)=C/C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000929852023 638956859 /nfs/dbraw/zinc/95/68/59/638956859.db2.gz DTDCGUUHPJYLOT-MDWZMJQESA-N 1 1 290.363 3.152 20 5 CGBDMO Cc1nnsc1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177275 639288141 /nfs/dbraw/zinc/28/81/41/639288141.db2.gz VJXRJBIUPYCHIQ-BDAKNGLRSA-N 1 1 292.364 3.167 20 5 CGBDMO C[C@]1([NH2+]Cc2ccccc2[N+](=O)[O-])CCOc2ccccc21 ZINC000933365128 639440615 /nfs/dbraw/zinc/44/06/15/639440615.db2.gz QSOQYPAIKDQKTK-KRWDZBQOSA-N 1 1 298.342 3.382 20 5 CGBDMO C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246215306 640664984 /nfs/dbraw/zinc/66/49/84/640664984.db2.gz CVIOWJJXELZVET-XJKCOSOUSA-N 1 1 292.379 3.139 20 5 CGBDMO CC[C@H]1CCCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246294779 640669020 /nfs/dbraw/zinc/66/90/20/640669020.db2.gz PDYJCKBHUJYINK-GOEBONIOSA-N 1 1 292.379 3.283 20 5 CGBDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC001252280596 806037578 /nfs/dbraw/zinc/03/75/78/806037578.db2.gz RDDCOZZVAHZIKA-TZMCWYRMSA-N 1 1 280.393 3.311 20 5 CGBDMO CC(C)C[N@@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550339 806447350 /nfs/dbraw/zinc/44/73/50/806447350.db2.gz HVKPGIMHAGHMFK-LBPRGKRZSA-N 1 1 250.342 3.114 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC2(CC2)C1 ZINC001254552313 806449265 /nfs/dbraw/zinc/44/92/65/806449265.db2.gz KQLLEWSLXMWGQR-GFCCVEGCSA-N 1 1 260.337 3.012 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@H]3CCC[C@H]3C1)C2 ZINC001254594607 806457510 /nfs/dbraw/zinc/45/75/10/806457510.db2.gz RVJTUSLGICBUAG-HACGYAERSA-N 1 1 286.375 3.184 20 5 CGBDMO C[C@@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H]1C ZINC001254600770 806458631 /nfs/dbraw/zinc/45/86/31/806458631.db2.gz RJBAZHQLQMXYSB-HSMVNMDESA-N 1 1 274.364 3.182 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886830123 800546755 /nfs/dbraw/zinc/54/67/55/800546755.db2.gz MIWIMYMCCXRDHN-WWGRRREGSA-N 1 1 290.363 3.157 20 5 CGBDMO C[C@H]1CN(c2sccc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001164146208 806901089 /nfs/dbraw/zinc/90/10/89/806901089.db2.gz QIZQOUXSZZSKOL-NSHDSACASA-N 1 1 295.408 3.109 20 5 CGBDMO CC[C@H]1C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@H](C)O1 ZINC001180280835 809989493 /nfs/dbraw/zinc/98/94/93/809989493.db2.gz NRYCZSFRMRSHRW-JSGCOSHPSA-N 1 1 292.379 3.211 20 5 CGBDMO CC[C@H]1C[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@H](C)O1 ZINC001180280835 809989495 /nfs/dbraw/zinc/98/94/95/809989495.db2.gz NRYCZSFRMRSHRW-JSGCOSHPSA-N 1 1 292.379 3.211 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]2c2ccccc2)C1 ZINC001169025441 807554729 /nfs/dbraw/zinc/55/47/29/807554729.db2.gz IXTMVHHOAMPIBJ-KBMXLJTQSA-N 1 1 274.364 3.269 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC001169034191 807555551 /nfs/dbraw/zinc/55/55/51/807555551.db2.gz FWTMBBXHSVRGKP-UHOFOFEASA-N 1 1 292.354 3.408 20 5 CGBDMO CCc1ccc(C[N@@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169035152 807556026 /nfs/dbraw/zinc/55/60/26/807556026.db2.gz AQKGONSJGDPHFB-JKSUJKDBSA-N 1 1 276.380 3.126 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001169035854 807556263 /nfs/dbraw/zinc/55/62/63/807556263.db2.gz DIXKBVLSHHDXGY-ZBFHGGJFSA-N 1 1 274.364 3.096 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H](C3CCCCC3)C2)C1 ZINC001169039042 807556754 /nfs/dbraw/zinc/55/67/54/807556754.db2.gz MTSWSTPWLSOXCC-KBMXLJTQSA-N 1 1 280.412 3.334 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCCC3(CC(F)C3)CC2)C1 ZINC001169039931 807557564 /nfs/dbraw/zinc/55/75/64/807557564.db2.gz VYHKMYKJFFAKGX-FGZQJIAISA-N 1 1 284.375 3.036 20 5 CGBDMO C[C@H]1c2ccccc2CC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169056803 807562567 /nfs/dbraw/zinc/56/25/67/807562567.db2.gz SUAPLHGCYNDSJJ-KCQAQPDRSA-N 1 1 274.364 3.051 20 5 CGBDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC001261811820 807789756 /nfs/dbraw/zinc/78/97/56/807789756.db2.gz UDUYQZWTJVGGGC-WFASDCNBSA-N 1 1 278.327 3.498 20 5 CGBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@H]3C[C@H]32)c([N+](=O)[O-])c1 ZINC001170353804 807827653 /nfs/dbraw/zinc/82/76/53/807827653.db2.gz FHEGIECCKQNUTN-SLEUVZQESA-N 1 1 290.363 3.019 20 5 CGBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 ZINC001170352837 807828096 /nfs/dbraw/zinc/82/80/96/807828096.db2.gz RPHIQOAYTADCSL-MBNYWOFBSA-N 1 1 290.363 3.019 20 5 CGBDMO CC(C)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001170413565 807838177 /nfs/dbraw/zinc/83/81/77/807838177.db2.gz XPHLRCPZOUHTOT-CQSZACIVSA-N 1 1 262.353 3.430 20 5 CGBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)C(C)C)c1F ZINC001173186035 808533068 /nfs/dbraw/zinc/53/30/68/808533068.db2.gz RBZMTRCOBWDQSN-SNVBAGLBSA-N 1 1 284.331 3.014 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H](F)C1 ZINC001173228919 808543525 /nfs/dbraw/zinc/54/35/25/808543525.db2.gz NPXGKERCZDQLLI-OCCSQVGLSA-N 1 1 280.343 3.350 20 5 CGBDMO CC[N@H+]1CCCC[C@@H]1CNc1cc(C)sc1[N+](=O)[O-] ZINC001185340192 810257058 /nfs/dbraw/zinc/25/70/58/810257058.db2.gz WNHQPLGNIUPMIX-LLVKDONJSA-N 1 1 283.397 3.251 20 5 CGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC001186628354 810351758 /nfs/dbraw/zinc/35/17/58/810351758.db2.gz ZPYZSCULEVCGQN-ZDUSSCGKSA-N 1 1 279.384 3.436 20 5 CGBDMO C[N@H+](Cc1cc2cccnc2o1)Cc1ccccc1[N+](=O)[O-] ZINC001204471804 812650983 /nfs/dbraw/zinc/65/09/83/812650983.db2.gz NEFSLYBNDCCNML-UHFFFAOYSA-N 1 1 297.314 3.368 20 5 CGBDMO C[N@@H+](Cc1cc2cccnc2o1)Cc1ccccc1[N+](=O)[O-] ZINC001204471804 812650990 /nfs/dbraw/zinc/65/09/90/812650990.db2.gz NEFSLYBNDCCNML-UHFFFAOYSA-N 1 1 297.314 3.368 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1Nc1cc(OC)c(C)c[nH+]1 ZINC001210444979 814459697 /nfs/dbraw/zinc/45/96/97/814459697.db2.gz RWXMNGANVWITJW-UHFFFAOYSA-N 1 1 289.291 3.059 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1Nc1c[nH+]c2ccccn12 ZINC001210951970 814688359 /nfs/dbraw/zinc/68/83/59/814688359.db2.gz UJYRIUDHINSKCN-UHFFFAOYSA-N 1 1 272.239 3.125 20 5 CGBDMO Cc1cccc(CO[C@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001223660599 816664391 /nfs/dbraw/zinc/66/43/91/816664391.db2.gz GLUHCQPSNJZCSA-HNNXBMFYSA-N 1 1 292.379 3.293 20 5 CGBDMO Cc1cc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC001226843571 817481999 /nfs/dbraw/zinc/48/19/99/817481999.db2.gz LSOMOZFIHNFFCI-YWVIFJGQSA-N 1 1 290.363 3.012 20 5 CGBDMO Cc1cc(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc([N+](=O)[O-])c1 ZINC001228839777 818018388 /nfs/dbraw/zinc/01/83/88/818018388.db2.gz YOYCXMQCWBTSTN-VIKVFOODSA-N 1 1 290.363 3.012 20 5 CGBDMO C[N@@H+](Cc1ccc2ccc3cccnc3c2n1)C1CC1 ZINC001232219720 818282919 /nfs/dbraw/zinc/28/29/19/818282919.db2.gz YZNICMLPKRUZSY-UHFFFAOYSA-N 1 1 263.344 3.377 20 5 CGBDMO CS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001330089355 935268059 /nfs/dbraw/zinc/26/80/59/935268059.db2.gz LPKAKFQHZCHPJG-OLZOCXBDSA-N 1 1 298.383 3.450 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](C)C[C@@H]1C ZINC001461861806 937603264 /nfs/dbraw/zinc/60/32/64/937603264.db2.gz RJKGQLFCBFYEOM-JQWIXIFHSA-N 1 1 262.353 3.442 20 5 CGBDMO CC(C)[N@H+]1CC[C@@H](Oc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230915522 932641247 /nfs/dbraw/zinc/64/12/47/932641247.db2.gz QVTLNIZDIYQPPH-SNVBAGLBSA-N 1 1 284.743 3.110 20 5 CGBDMO CC[C@@H](C)[C@H](C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])OC ZINC001462221892 937626031 /nfs/dbraw/zinc/62/60/31/937626031.db2.gz WMNLXIUKIIQDNG-CJNGLKHVSA-N 1 1 294.395 3.130 20 5 CGBDMO C[C@H]1CCCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001307693402 932988336 /nfs/dbraw/zinc/98/83/36/932988336.db2.gz QLBJQAWZKSVEHE-NSHDSACASA-N 1 1 266.316 3.356 20 5 CGBDMO Cc1c(C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC001307850880 933009939 /nfs/dbraw/zinc/00/99/39/933009939.db2.gz AXLHSTRHTFMGRA-GVXVVHGQSA-N 1 1 262.353 3.380 20 5 CGBDMO C[C@]12C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001308119627 933053068 /nfs/dbraw/zinc/05/30/68/933053068.db2.gz SEXDLGYFVUKJEU-CIRFHOKZSA-N 1 1 298.386 3.281 20 5 CGBDMO CS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001318785278 933780143 /nfs/dbraw/zinc/78/01/43/933780143.db2.gz UJDOTHRDBZYSEX-OLZOCXBDSA-N 1 1 280.393 3.311 20 5 CGBDMO CC1(C)CCC[N@H+]1CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC001472804319 937784775 /nfs/dbraw/zinc/78/47/75/937784775.db2.gz XJIAWFWRNIXWSW-UHFFFAOYSA-N 1 1 299.321 3.159 20 5 CGBDMO CCc1ccc[nH+]c1NCc1cccc([N+](=O)[O-])c1 ZINC001474080477 937839546 /nfs/dbraw/zinc/83/95/46/937839546.db2.gz ZVRFERWPVHBHAF-UHFFFAOYSA-N 1 1 257.293 3.164 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH+]2CC(C3CC3)C2)c(Cl)c1 ZINC000589736685 346810051 /nfs/dbraw/zinc/81/00/51/346810051.db2.gz ALFVJVSHKARJHT-UHFFFAOYSA-N 1 1 266.728 3.090 20 5 CGBDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000593058786 347033646 /nfs/dbraw/zinc/03/36/46/347033646.db2.gz OMNSQQCAZBLXAQ-ZBFHGGJFSA-N 1 1 292.379 3.027 20 5 CGBDMO C[N@@H+](CCc1ccccc1)CCc1ccc([N+](=O)[O-])cc1 ZINC000032232509 344930635 /nfs/dbraw/zinc/93/06/35/344930635.db2.gz YIHGZLZPSVGKFJ-UHFFFAOYSA-N 1 1 284.359 3.312 20 5 CGBDMO CC1CCC([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065208928 345269786 /nfs/dbraw/zinc/26/97/86/345269786.db2.gz PEQPTMHUVZYOTD-UHFFFAOYSA-N 1 1 292.379 3.484 20 5 CGBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000065534839 345274003 /nfs/dbraw/zinc/27/40/03/345274003.db2.gz OOJZOGKXQOJNNB-UHFFFAOYSA-N 1 1 278.352 3.238 20 5 CGBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083211453 345724968 /nfs/dbraw/zinc/72/49/68/345724968.db2.gz YPPCQPVVZWQRQH-WDEREUQCSA-N 1 1 289.335 3.356 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000091661478 345819969 /nfs/dbraw/zinc/81/99/69/345819969.db2.gz HIAMFWFRXYCEFV-CQSZACIVSA-N 1 1 283.331 3.157 20 5 CGBDMO Cc1c([C@H](C)[NH2+]Cc2ncccc2F)cccc1[N+](=O)[O-] ZINC000090720594 345792431 /nfs/dbraw/zinc/79/24/31/345792431.db2.gz SCGWMOCRXTVBSV-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO Cc1cc(NC[C@@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000092626595 345848311 /nfs/dbraw/zinc/84/83/11/345848311.db2.gz GWBOXXCMPPAPFO-AWEZNQCLSA-N 1 1 291.395 3.436 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H]1CCCCO1)C1CC1 ZINC000135228239 346086936 /nfs/dbraw/zinc/08/69/36/346086936.db2.gz XGTDACLNHBDURA-OAHLLOKOSA-N 1 1 290.363 3.128 20 5 CGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H]1CCCCO1)C1CC1 ZINC000135228239 346086937 /nfs/dbraw/zinc/08/69/37/346086937.db2.gz XGTDACLNHBDURA-OAHLLOKOSA-N 1 1 290.363 3.128 20 5 CGBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000314223421 346480914 /nfs/dbraw/zinc/48/09/14/346480914.db2.gz XHHGOEYSEIFHCP-LLVKDONJSA-N 1 1 299.321 3.429 20 5 CGBDMO Cc1cc[nH+]c(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000594516310 347186409 /nfs/dbraw/zinc/18/64/09/347186409.db2.gz XYLOWRXGAAMOQW-CYBMUJFWSA-N 1 1 269.304 3.398 20 5 CGBDMO Cc1noc(C[N@@H+](C2CC2)C2CCC(C)CC2)c1[N+](=O)[O-] ZINC000595296139 347288421 /nfs/dbraw/zinc/28/84/21/347288421.db2.gz JHPYUIUFPWPZGN-UHFFFAOYSA-N 1 1 293.367 3.434 20 5 CGBDMO Cc1noc(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000595297255 347288606 /nfs/dbraw/zinc/28/86/06/347288606.db2.gz KZJRHPJKQUFNKI-WCFLWFBJSA-N 1 1 293.367 3.292 20 5 CGBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595330974 347292960 /nfs/dbraw/zinc/29/29/60/347292960.db2.gz GPSSAVCHZLJOCD-GWCFXTLKSA-N 1 1 266.316 3.354 20 5 CGBDMO CC[C@H](C)[N@@H+](CC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000595593042 347322915 /nfs/dbraw/zinc/32/29/15/347322915.db2.gz MOFSSEYDOUICSY-LBPRGKRZSA-N 1 1 296.367 3.103 20 5 CGBDMO Cc1noc(C[N@H+]2CCC[C@@H]2CC2CCCC2)c1[N+](=O)[O-] ZINC000595563525 347319524 /nfs/dbraw/zinc/31/95/24/347319524.db2.gz VPIBDFNMPCVJTP-CYBMUJFWSA-N 1 1 293.367 3.436 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC2CC1(C)C2 ZINC000595919097 347372893 /nfs/dbraw/zinc/37/28/93/347372893.db2.gz HRYVXUGVGUBDAD-BZUNDVKYSA-N 1 1 260.337 3.449 20 5 CGBDMO Cc1cc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596157011 347391715 /nfs/dbraw/zinc/39/17/15/347391715.db2.gz WKYFBRVAPQJIJC-SCZZXKLOSA-N 1 1 281.381 3.002 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000597222033 347556648 /nfs/dbraw/zinc/55/66/48/347556648.db2.gz BBCNEVDBILMXHV-UZSWLCPZSA-N 1 1 272.348 3.340 20 5 CGBDMO C[N@H+]1CCCC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000599140578 347720531 /nfs/dbraw/zinc/72/05/31/347720531.db2.gz VXWPAYLWHWPAIF-SNVBAGLBSA-N 1 1 299.321 3.017 20 5 CGBDMO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599164044 347722758 /nfs/dbraw/zinc/72/27/58/347722758.db2.gz IPMLQVHNSTYQIH-LBPRGKRZSA-N 1 1 293.342 3.163 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCC(F)(F)CC2)c1 ZINC000599552207 347753518 /nfs/dbraw/zinc/75/35/18/347753518.db2.gz XNCJECHKDDRRIU-UHFFFAOYSA-N 1 1 270.279 3.216 20 5 CGBDMO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000599622620 347758740 /nfs/dbraw/zinc/75/87/40/347758740.db2.gz LHAXSGBZKQNHPL-SNVBAGLBSA-N 1 1 270.279 3.214 20 5 CGBDMO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000599622620 347758743 /nfs/dbraw/zinc/75/87/43/347758743.db2.gz LHAXSGBZKQNHPL-SNVBAGLBSA-N 1 1 270.279 3.214 20 5 CGBDMO CCOc1cc(Cn2cc[nH+]c2C2CC2)ccc1[N+](=O)[O-] ZINC000600611046 347814092 /nfs/dbraw/zinc/81/40/92/347814092.db2.gz KXCZBHSCNARCNA-UHFFFAOYSA-N 1 1 287.319 3.116 20 5 CGBDMO CC(C)c1ccc(C[N@@H+](C)CC2(C)COC2)cc1[N+](=O)[O-] ZINC000600190840 347791893 /nfs/dbraw/zinc/79/18/93/347791893.db2.gz NFNBDIVSRYQFMU-UHFFFAOYSA-N 1 1 292.379 3.187 20 5 CGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC4(CC4)C3)c2c1 ZINC000601160361 347876908 /nfs/dbraw/zinc/87/69/08/347876908.db2.gz VDKJSBFKZNZXIA-UHFFFAOYSA-N 1 1 269.304 3.133 20 5 CGBDMO Cc1ncc([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000602953723 348046749 /nfs/dbraw/zinc/04/67/49/348046749.db2.gz BUJPIOQKMBBWJU-QMMMGPOBSA-N 1 1 295.339 3.350 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCC(C)C ZINC000610476222 348383946 /nfs/dbraw/zinc/38/39/46/348383946.db2.gz GYZTYCYIMCXCKF-UHFFFAOYSA-N 1 1 280.368 3.471 20 5 CGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H]4CCC[C@H]43)nc2c1 ZINC000614600962 348685296 /nfs/dbraw/zinc/68/52/96/348685296.db2.gz VGGHNPRAMPNIIM-ZWNOBZJWSA-N 1 1 287.319 3.110 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCC(C)C ZINC000619531101 349257194 /nfs/dbraw/zinc/25/71/94/349257194.db2.gz AGQTVAMRZYBWKU-UHFFFAOYSA-N 1 1 266.341 3.081 20 5 CGBDMO COC[C@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000112989628 186547325 /nfs/dbraw/zinc/54/73/25/186547325.db2.gz ZVAHHBFQLDTEIP-OLZOCXBDSA-N 1 1 278.352 3.014 20 5 CGBDMO COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000122718034 187047514 /nfs/dbraw/zinc/04/75/14/187047514.db2.gz ISWIYKCYGWTBAC-RYUDHWBXSA-N 1 1 278.352 3.081 20 5 CGBDMO CCc1nc(C)c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000292008336 198132785 /nfs/dbraw/zinc/13/27/85/198132785.db2.gz YJPNKAXFJBNVMB-JTQLQIEISA-N 1 1 289.335 3.304 20 5 CGBDMO COc1cc(C[N@@H+]2C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000368010969 234269531 /nfs/dbraw/zinc/26/95/31/234269531.db2.gz DQBYSFNFOQCBPA-ZWNOBZJWSA-N 1 1 294.326 3.117 20 5 CGBDMO COc1cc(C[N@H+]2C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000368010969 234269534 /nfs/dbraw/zinc/26/95/34/234269534.db2.gz DQBYSFNFOQCBPA-ZWNOBZJWSA-N 1 1 294.326 3.117 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOCC2(CCC2)C1 ZINC000368856372 234343310 /nfs/dbraw/zinc/34/33/10/234343310.db2.gz OSRAPCWJEJLCAW-CYBMUJFWSA-N 1 1 290.363 3.158 20 5 CGBDMO Cc1ccc([C@H](C)NC[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423234324 236004299 /nfs/dbraw/zinc/00/42/99/236004299.db2.gz FOGQDHADDXTUCJ-XJKSGUPXSA-N 1 1 299.374 3.254 20 5 CGBDMO C[C@H]([N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000437517281 237292859 /nfs/dbraw/zinc/29/28/59/237292859.db2.gz QJXJRGDQCJVDRB-LBPRGKRZSA-N 1 1 278.352 3.094 20 5 CGBDMO Cc1c(C[N@H+](C)[C@@H](CO)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000451778431 240358504 /nfs/dbraw/zinc/35/85/04/240358504.db2.gz JXRZRIDPVVSFSY-CQSZACIVSA-N 1 1 294.395 3.132 20 5 CGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1ccc(F)cc1[N+](=O)[O-] ZINC000301475768 201022093 /nfs/dbraw/zinc/02/20/93/201022093.db2.gz WERMVGUUUVDOPT-ZDUSSCGKSA-N 1 1 295.358 3.045 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000301482802 201024161 /nfs/dbraw/zinc/02/41/61/201024161.db2.gz XLTSRXJMDOYJIY-HNNXBMFYSA-N 1 1 289.379 3.271 20 5 CGBDMO C[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000119503504 370681277 /nfs/dbraw/zinc/68/12/77/370681277.db2.gz XBHRFUJHECJSJS-CFNZNRNTSA-N 1 1 290.363 3.107 20 5 CGBDMO C[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000119503504 370681279 /nfs/dbraw/zinc/68/12/79/370681279.db2.gz XBHRFUJHECJSJS-CFNZNRNTSA-N 1 1 290.363 3.107 20 5 CGBDMO CC[N@@H+](CCNc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000301806533 201207730 /nfs/dbraw/zinc/20/77/30/201207730.db2.gz WEERATURTOLEIN-UHFFFAOYSA-N 1 1 287.310 3.015 20 5 CGBDMO C[C@H](CNc1sccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000302006303 201295582 /nfs/dbraw/zinc/29/55/82/201295582.db2.gz VRQHVUWGIIWJGK-GHMZBOCLSA-N 1 1 283.397 3.189 20 5 CGBDMO C[C@H]1CCC(C)(C)[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000452011941 240393354 /nfs/dbraw/zinc/39/33/54/240393354.db2.gz RLKNAAPYIGOKBY-VIFPVBQESA-N 1 1 254.355 3.419 20 5 CGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000466906096 242577997 /nfs/dbraw/zinc/57/79/97/242577997.db2.gz YAMZEGJSZURQEL-OLZOCXBDSA-N 1 1 278.352 3.094 20 5 CGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000537651148 376192585 /nfs/dbraw/zinc/19/25/85/376192585.db2.gz YIZJKIFZEZTANC-UYWPIULCSA-N 1 1 272.348 3.340 20 5 CGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000481404996 243193696 /nfs/dbraw/zinc/19/36/96/243193696.db2.gz SNTHYFNNWAPWLY-QWHCGFSZSA-N 1 1 278.352 3.094 20 5 CGBDMO CC1=C(C)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000483365528 243279644 /nfs/dbraw/zinc/27/96/44/243279644.db2.gz KECLEZZIWAITRQ-UHFFFAOYSA-N 1 1 264.300 3.276 20 5 CGBDMO CC1=C(C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000483365528 243279647 /nfs/dbraw/zinc/27/96/47/243279647.db2.gz KECLEZZIWAITRQ-UHFFFAOYSA-N 1 1 264.300 3.276 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(C)(C)O1 ZINC000330615932 203041923 /nfs/dbraw/zinc/04/19/23/203041923.db2.gz VEZNGGRHBLZYNR-AWEZNQCLSA-N 1 1 292.379 3.027 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(Cl)o2)cc1 ZINC000037487264 369086647 /nfs/dbraw/zinc/08/66/47/369086647.db2.gz ZCBCYEGKQALHSA-UHFFFAOYSA-N 1 1 266.684 3.131 20 5 CGBDMO C[C@H]1CCCC[N@H+]1CCCNCc1csc([N+](=O)[O-])c1 ZINC000037562461 369089152 /nfs/dbraw/zinc/08/91/52/369089152.db2.gz MMJSWOSUNPGPDW-LBPRGKRZSA-N 1 1 297.424 3.010 20 5 CGBDMO C[C@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037910712 369125236 /nfs/dbraw/zinc/12/52/36/369125236.db2.gz ZSTHNZLECZYMAT-VIFPVBQESA-N 1 1 254.717 3.233 20 5 CGBDMO CCOc1cc(C[N@H+]2C[C@@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492777717 244023818 /nfs/dbraw/zinc/02/38/18/244023818.db2.gz ZACJVPVWJMQURZ-RYUDHWBXSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@H]1c2cccn2CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000051960215 369459617 /nfs/dbraw/zinc/45/96/17/369459617.db2.gz RPXGRWLVDUQQJI-ZDUSSCGKSA-N 1 1 285.347 3.016 20 5 CGBDMO Cc1ccc(C[N@H+]2CCC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000093455848 370134268 /nfs/dbraw/zinc/13/42/68/370134268.db2.gz SMPQLTQCXASTBE-UHFFFAOYSA-N 1 1 260.337 3.279 20 5 CGBDMO C[C@H]1SCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000132538655 371182251 /nfs/dbraw/zinc/18/22/51/371182251.db2.gz DIMXVYRTBANLND-VHSXEESVSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@H]1SCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000132538655 371182256 /nfs/dbraw/zinc/18/22/56/371182256.db2.gz DIMXVYRTBANLND-VHSXEESVSA-N 1 1 284.356 3.060 20 5 CGBDMO CS[C@H]1CCCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000134593360 371353163 /nfs/dbraw/zinc/35/31/63/371353163.db2.gz FDEIULNNOIFUAW-AWEZNQCLSA-N 1 1 280.393 3.312 20 5 CGBDMO CC(C)OCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135238140 371404347 /nfs/dbraw/zinc/40/43/47/371404347.db2.gz SWFPGVGMWAPCNY-UHFFFAOYSA-N 1 1 292.379 3.374 20 5 CGBDMO C[C@H]1CCCC[C@H]1[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136915835 371487621 /nfs/dbraw/zinc/48/76/21/371487621.db2.gz FGZWXQKRKZRDBA-MAZHCROVSA-N 1 1 292.379 3.139 20 5 CGBDMO CCOc1cccc(NCC[N@@H+](C)[C@@H](C)CC)c1[N+](=O)[O-] ZINC000220314302 376207442 /nfs/dbraw/zinc/20/74/42/376207442.db2.gz HOTDVMDKGZBMBL-LBPRGKRZSA-N 1 1 295.383 3.136 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)CCNc1cccc(C)c1[N+](=O)[O-] ZINC000220326438 376207967 /nfs/dbraw/zinc/20/79/67/376207967.db2.gz JVYRCCADHTZBOU-GFCCVEGCSA-N 1 1 265.357 3.045 20 5 CGBDMO CC(C)[C@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000293361067 372364110 /nfs/dbraw/zinc/36/41/10/372364110.db2.gz ZYLMLZFPSNERAX-XJKSGUPXSA-N 1 1 292.379 3.403 20 5 CGBDMO COc1ccc(C[N@@H+](C)[C@H](C)C2(C)CC2)cc1[N+](=O)[O-] ZINC000177252923 373670777 /nfs/dbraw/zinc/67/07/77/373670777.db2.gz BAINBHGTHWJPKH-LLVKDONJSA-N 1 1 278.352 3.224 20 5 CGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]1C1CC1 ZINC000449425569 373699488 /nfs/dbraw/zinc/69/94/88/373699488.db2.gz HVWLEPXSWUATJQ-HMWXGYMHSA-N 1 1 272.348 3.482 20 5 CGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000301403619 373772231 /nfs/dbraw/zinc/77/22/31/373772231.db2.gz SAQZTNQHZSWYCO-ZDUSSCGKSA-N 1 1 275.352 3.024 20 5 CGBDMO CCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000449499828 373796224 /nfs/dbraw/zinc/79/62/24/373796224.db2.gz MIBDFRYRCIWOFG-CZUORRHYSA-N 1 1 292.379 3.150 20 5 CGBDMO COC[C@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449761542 373890217 /nfs/dbraw/zinc/89/02/17/373890217.db2.gz YMGXDKGPZQRIGC-PMGBHYCQSA-N 1 1 290.363 3.109 20 5 CGBDMO CO[C@@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000451575138 374204202 /nfs/dbraw/zinc/20/42/02/374204202.db2.gz SBSNSDIBKAPACQ-DVOMOZLQSA-N 1 1 292.379 3.321 20 5 CGBDMO COC[C@@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000452042445 374214860 /nfs/dbraw/zinc/21/48/60/374214860.db2.gz UCEDXRQSQZRZOQ-NSHDSACASA-N 1 1 298.770 3.249 20 5 CGBDMO COC[C@@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000452042445 374214865 /nfs/dbraw/zinc/21/48/65/374214865.db2.gz UCEDXRQSQZRZOQ-NSHDSACASA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@H]([NH2+]Cc1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000182124712 374223598 /nfs/dbraw/zinc/22/35/98/374223598.db2.gz AAEIMOFZXVNCEW-JTQLQIEISA-N 1 1 291.738 3.494 20 5 CGBDMO COC[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000452073053 374226263 /nfs/dbraw/zinc/22/62/63/374226263.db2.gz ALLVMIFVLGNNTM-UONOGXRCSA-N 1 1 292.379 3.404 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000182932380 374345147 /nfs/dbraw/zinc/34/51/47/374345147.db2.gz PEXGPQOTTGUUSY-CYBMUJFWSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1c(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000331301892 374520011 /nfs/dbraw/zinc/52/00/11/374520011.db2.gz CKLGRMOJKJJFBG-HNNXBMFYSA-N 1 1 292.379 3.150 20 5 CGBDMO Cc1c(C[N@H+]2CCO[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000331301892 374520015 /nfs/dbraw/zinc/52/00/15/374520015.db2.gz CKLGRMOJKJJFBG-HNNXBMFYSA-N 1 1 292.379 3.150 20 5 CGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331545003 374543197 /nfs/dbraw/zinc/54/31/97/374543197.db2.gz SOPHVQSQQZYUBU-WDEREUQCSA-N 1 1 288.351 3.092 20 5 CGBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)CC1(O)CCCCCC1 ZINC000187361522 375009184 /nfs/dbraw/zinc/00/91/84/375009184.db2.gz DXANOHIPVVNIPI-UHFFFAOYSA-N 1 1 298.408 3.173 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000537632590 376187399 /nfs/dbraw/zinc/18/73/99/376187399.db2.gz FFVDQUCUHVEVOI-OKILXGFUSA-N 1 1 290.363 3.081 20 5 CGBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000541073098 376419405 /nfs/dbraw/zinc/41/94/05/376419405.db2.gz YQNIYONJFSPZQJ-NXEZZACHSA-N 1 1 268.744 3.479 20 5 CGBDMO CC[N@@H+](CCNc1cccc(C)c1[N+](=O)[O-])C(C)C ZINC000338661504 376469055 /nfs/dbraw/zinc/46/90/55/376469055.db2.gz IKPKXGNIGWPTKB-UHFFFAOYSA-N 1 1 265.357 3.045 20 5 CGBDMO CCc1cc(NCc2cccc([N+](=O)[O-])c2C)nc(C)[nH+]1 ZINC000231868977 376575031 /nfs/dbraw/zinc/57/50/31/376575031.db2.gz PIHQQNQONINUFH-UHFFFAOYSA-N 1 1 286.335 3.176 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@H]1CCCOC1 ZINC000245513326 376838895 /nfs/dbraw/zinc/83/88/95/376838895.db2.gz ACUQHHBQUZXZGH-ZIAGYGMSSA-N 1 1 292.379 3.323 20 5 CGBDMO CC(C)c1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414926500 249124100 /nfs/dbraw/zinc/12/41/00/249124100.db2.gz NHZNGOMVXZSNOV-KGLIPLIRSA-N 1 1 291.395 3.078 20 5 CGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000563968177 322016951 /nfs/dbraw/zinc/01/69/51/322016951.db2.gz ZKBNCHUOQHNACM-LBPRGKRZSA-N 1 1 265.357 3.127 20 5 CGBDMO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000255144359 377737143 /nfs/dbraw/zinc/73/71/43/377737143.db2.gz JGIYKVRDQFAIPB-KKTNHOPESA-N 1 1 290.363 3.109 20 5 CGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000255765991 377779508 /nfs/dbraw/zinc/77/95/08/377779508.db2.gz BTNUNBDXNWLRRB-UITAMQMPSA-N 1 1 260.337 3.340 20 5 CGBDMO CCC[N@H+]1CCC[C@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000343907985 378131082 /nfs/dbraw/zinc/13/10/82/378131082.db2.gz GUROLNBZXKXURX-NSHDSACASA-N 1 1 281.331 3.020 20 5 CGBDMO CO[C@@]1(C)CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000348246876 378863044 /nfs/dbraw/zinc/86/30/44/378863044.db2.gz VBGPMIASBLBPEQ-AWEZNQCLSA-N 1 1 298.770 3.249 20 5 CGBDMO CO[C@@]1(C)CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000348246876 378863049 /nfs/dbraw/zinc/86/30/49/378863049.db2.gz VBGPMIASBLBPEQ-AWEZNQCLSA-N 1 1 298.770 3.249 20 5 CGBDMO CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348561775 378995401 /nfs/dbraw/zinc/99/54/01/378995401.db2.gz YADMAZMRCZHOKQ-ZBFHGGJFSA-N 1 1 292.379 3.063 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H]3CCCC[C@H]32)cs1 ZINC000377728784 379730537 /nfs/dbraw/zinc/73/05/37/379730537.db2.gz XCEKFBBOWTYMHC-GHMZBOCLSA-N 1 1 252.339 3.031 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H]3CCCC[C@H]32)cs1 ZINC000377728784 379730544 /nfs/dbraw/zinc/73/05/44/379730544.db2.gz XCEKFBBOWTYMHC-GHMZBOCLSA-N 1 1 252.339 3.031 20 5 CGBDMO Cc1cc(N[C@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000388382790 379886225 /nfs/dbraw/zinc/88/62/25/379886225.db2.gz SGMAAHZMOXELCC-GFCCVEGCSA-N 1 1 265.357 3.044 20 5 CGBDMO Cc1ccc(N[C@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000388809238 379890333 /nfs/dbraw/zinc/89/03/33/379890333.db2.gz QEJBRBRIRTXZDF-GFCCVEGCSA-N 1 1 265.357 3.044 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@@H](C)CCSC)ccc1[N+](=O)[O-] ZINC000352777927 379954015 /nfs/dbraw/zinc/95/40/15/379954015.db2.gz IKMFJICWKUHZMZ-NSHDSACASA-N 1 1 298.408 3.177 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@H](C)CCSC)ccc1[N+](=O)[O-] ZINC000352777926 379954829 /nfs/dbraw/zinc/95/48/29/379954829.db2.gz IKMFJICWKUHZMZ-LLVKDONJSA-N 1 1 298.408 3.177 20 5 CGBDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000412043977 380158945 /nfs/dbraw/zinc/15/89/45/380158945.db2.gz OJEMFWWBXPSRML-SNVBAGLBSA-N 1 1 266.316 3.354 20 5 CGBDMO C[C@H]1[C@@H](C)[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000418112181 380701782 /nfs/dbraw/zinc/70/17/82/380701782.db2.gz BADDUBKDVKAPEF-OPRDCNLKSA-N 1 1 254.355 3.133 20 5 CGBDMO CSc1cc(C[NH2+]Cc2csc([N+](=O)[O-])c2)ccn1 ZINC000357359560 381125527 /nfs/dbraw/zinc/12/55/27/381125527.db2.gz VTFZJJWCAMMNCN-UHFFFAOYSA-N 1 1 295.389 3.063 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)C1CCC1 ZINC000353832157 220354957 /nfs/dbraw/zinc/35/49/57/220354957.db2.gz WYFSFVUPJHXVCL-UHFFFAOYSA-N 1 1 278.352 3.368 20 5 CGBDMO CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000281378702 195217651 /nfs/dbraw/zinc/21/76/51/195217651.db2.gz WCIMKZGIGWXRSK-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000281378702 195217654 /nfs/dbraw/zinc/21/76/54/195217654.db2.gz WCIMKZGIGWXRSK-CYBMUJFWSA-N 1 1 298.770 3.249 20 5 CGBDMO C[C@H](C1CCC1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000357028349 533585913 /nfs/dbraw/zinc/58/59/13/533585913.db2.gz UQNGRZCGGGOYIW-GFCCVEGCSA-N 1 1 278.352 3.094 20 5 CGBDMO Cc1c(C[N@@H+]2CCSC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000190466992 130107130 /nfs/dbraw/zinc/10/71/30/130107130.db2.gz IVGBSGZWKHGYEG-NSHDSACASA-N 1 1 280.393 3.088 20 5 CGBDMO Cc1ccc(C[N@@H+]2CCSCC[C@H]2C)cc1[N+](=O)[O-] ZINC000191810623 130308049 /nfs/dbraw/zinc/30/80/49/130308049.db2.gz LIAIMTIDFGSBOH-GFCCVEGCSA-N 1 1 280.393 3.231 20 5 CGBDMO C[C@H](C1CC1)[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000051881909 392073912 /nfs/dbraw/zinc/07/39/12/392073912.db2.gz JYRISGFIMWQURH-GFCCVEGCSA-N 1 1 290.363 3.237 20 5 CGBDMO Cc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000051574726 392068651 /nfs/dbraw/zinc/06/86/51/392068651.db2.gz RMBVBXNDYFOSPT-GFCCVEGCSA-N 1 1 271.320 3.149 20 5 CGBDMO CCCC[N@@H+](CCO)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000505842818 392701373 /nfs/dbraw/zinc/70/13/73/392701373.db2.gz QRXQTIIGUGIXMV-UHFFFAOYSA-N 1 1 294.395 3.313 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1C=CCCC1 ZINC000511073516 392826582 /nfs/dbraw/zinc/82/65/82/392826582.db2.gz KYRIHTAWXLGYFN-AWEZNQCLSA-N 1 1 260.337 3.178 20 5 CGBDMO CC(C)O[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000404573292 392967670 /nfs/dbraw/zinc/96/76/70/392967670.db2.gz JIMSQXRTVFVRKU-AWEZNQCLSA-N 1 1 296.342 3.123 20 5 CGBDMO CC(C)O[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000404573292 392967679 /nfs/dbraw/zinc/96/76/79/392967679.db2.gz JIMSQXRTVFVRKU-AWEZNQCLSA-N 1 1 296.342 3.123 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC[C@H]1CCCO1 ZINC000342609578 393003229 /nfs/dbraw/zinc/00/32/29/393003229.db2.gz VBNRUJXIAIXJQJ-DZGCQCFKSA-N 1 1 292.379 3.465 20 5 CGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000466936599 393074490 /nfs/dbraw/zinc/07/44/90/393074490.db2.gz UAXAGTAOXXHVSE-UONOGXRCSA-N 1 1 292.379 3.484 20 5 CGBDMO CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000470171748 393229267 /nfs/dbraw/zinc/22/92/67/393229267.db2.gz NYSNDRVEPOOTPA-XFXZXTDPSA-N 1 1 260.337 3.482 20 5 CGBDMO CSCC[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470170252 393229948 /nfs/dbraw/zinc/22/99/48/393229948.db2.gz RAQYPGGADCJOEP-XFXZXTDPSA-N 1 1 280.393 3.293 20 5 CGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC1CC1 ZINC000470174111 393230103 /nfs/dbraw/zinc/23/01/03/393230103.db2.gz QMKLEUPBQJKNEX-XYOKQWHBSA-N 1 1 260.337 3.340 20 5 CGBDMO CO[C@H](CC(C)C)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000419189078 393364670 /nfs/dbraw/zinc/36/46/70/393364670.db2.gz HGAAHRBOGHBWHC-CQSZACIVSA-N 1 1 280.368 3.088 20 5 CGBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC1CC1 ZINC000430220787 393542352 /nfs/dbraw/zinc/54/23/52/393542352.db2.gz RLWZHQLWQVZZJK-UHFFFAOYSA-N 1 1 278.352 3.225 20 5 CGBDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430199449 393537971 /nfs/dbraw/zinc/53/79/71/393537971.db2.gz BTILUBZOXGPUKI-RISCZKNCSA-N 1 1 278.352 3.224 20 5 CGBDMO CC(C)n1cncc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000424168158 393676751 /nfs/dbraw/zinc/67/67/51/393676751.db2.gz IHZLVYZOJBHMKZ-LBPRGKRZSA-N 1 1 288.351 3.223 20 5 CGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1(C)CCCC1 ZINC000489823814 393615613 /nfs/dbraw/zinc/61/56/13/393615613.db2.gz DMDDRFWMRXHNBH-UHFFFAOYSA-N 1 1 266.316 3.498 20 5 CGBDMO COc1ccc(C[N@@H+](C)C2(C)CCCC2)cc1[N+](=O)[O-] ZINC000489892514 393620740 /nfs/dbraw/zinc/62/07/40/393620740.db2.gz ACCJYZUENYQDAR-UHFFFAOYSA-N 1 1 278.352 3.368 20 5 CGBDMO CCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000492358775 393723161 /nfs/dbraw/zinc/72/31/61/393723161.db2.gz UBAWZTNYFSOMDZ-UHFFFAOYSA-N 1 1 266.341 3.225 20 5 CGBDMO CC(C)C[C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000500461078 393828977 /nfs/dbraw/zinc/82/89/77/393828977.db2.gz JZEGKZCOZMEJFV-AWEZNQCLSA-N 1 1 292.379 3.484 20 5 CGBDMO Cc1c(C[NH2+][C@@H](C)c2nccs2)cccc1[N+](=O)[O-] ZINC000080305107 165153089 /nfs/dbraw/zinc/15/30/89/165153089.db2.gz NJNOXXNDOIXCSF-JTQLQIEISA-N 1 1 277.349 3.211 20 5 CGBDMO CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000089885566 165221225 /nfs/dbraw/zinc/22/12/25/165221225.db2.gz LQUZTVAAEVSTOA-UHFFFAOYSA-N 1 1 287.319 3.234 20 5 CGBDMO CC[C@@H](CSC)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000091097631 165258373 /nfs/dbraw/zinc/25/83/73/165258373.db2.gz SLEJKYWEEFRHGA-ZDUSSCGKSA-N 1 1 282.409 3.477 20 5 CGBDMO CC[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000126279530 287260994 /nfs/dbraw/zinc/26/09/94/287260994.db2.gz PURZFAHGOPTZJF-UHFFFAOYSA-N 1 1 260.293 3.307 20 5 CGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000285298336 196244363 /nfs/dbraw/zinc/24/43/63/196244363.db2.gz KXOAQUWYVWUFBJ-UHFFFAOYSA-N 1 1 276.361 3.331 20 5 CGBDMO C[C@@H](c1ccccn1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285368121 196263242 /nfs/dbraw/zinc/26/32/42/196263242.db2.gz QSSFEHPQFBNYTR-ZDUSSCGKSA-N 1 1 285.347 3.225 20 5 CGBDMO CC[C@@H](NC1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000038098036 174112789 /nfs/dbraw/zinc/11/27/89/174112789.db2.gz LCEISFPZKNEJNG-MRXNPFEDSA-N 1 1 291.395 3.120 20 5 CGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CC)C1 ZINC000355085790 227384029 /nfs/dbraw/zinc/38/40/29/227384029.db2.gz YSHUYDIOIVBJRD-LBPRGKRZSA-N 1 1 278.352 3.225 20 5 CGBDMO C[C@H]1c2cccn2CC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179564438 260055459 /nfs/dbraw/zinc/05/54/59/260055459.db2.gz DLDSMOUSSKRHJB-GBXSZLQWSA-N 1 1 297.358 3.486 20 5 CGBDMO C[C@H]1c2cccn2CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179564438 260055461 /nfs/dbraw/zinc/05/54/61/260055461.db2.gz DLDSMOUSSKRHJB-GBXSZLQWSA-N 1 1 297.358 3.486 20 5 CGBDMO C[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000525120859 270117079 /nfs/dbraw/zinc/11/70/79/270117079.db2.gz ARIYQEPNDLWBJD-STQMWFEESA-N 1 1 262.353 3.258 20 5 CGBDMO COc1ccc(C[N@@H+](CC2CC2)C(C)C)cc1[N+](=O)[O-] ZINC000532665396 270218380 /nfs/dbraw/zinc/21/83/80/270218380.db2.gz NZWLFPNSUQOPND-UHFFFAOYSA-N 1 1 278.352 3.224 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1C ZINC000444647394 274291518 /nfs/dbraw/zinc/29/15/18/274291518.db2.gz FAEJAUOVWFNEIE-GHMZBOCLSA-N 1 1 288.351 3.092 20 5 CGBDMO C[C@@H]1CCSCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000276862371 274310100 /nfs/dbraw/zinc/31/01/00/274310100.db2.gz XCXYULRUHVOAHH-SNVBAGLBSA-N 1 1 284.356 3.061 20 5 CGBDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444708518 274311512 /nfs/dbraw/zinc/31/15/12/274311512.db2.gz RKKFWXBQDLDDKZ-GHMZBOCLSA-N 1 1 288.351 3.092 20 5 CGBDMO CC(C)c1ccc(C[N@H+]2CCOC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000359869493 278036102 /nfs/dbraw/zinc/03/61/02/278036102.db2.gz IMGXBONLNIIJRA-CYBMUJFWSA-N 1 1 292.379 3.187 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(C)(F)F ZINC000449416490 278220915 /nfs/dbraw/zinc/22/09/15/278220915.db2.gz UGJRWOKQLXLVQR-ZJUUUORDSA-N 1 1 272.295 3.159 20 5 CGBDMO Cc1ccc(N2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000266973803 280864950 /nfs/dbraw/zinc/86/49/50/280864950.db2.gz NBYCFKGVKZPATN-UHFFFAOYSA-N 1 1 286.335 3.010 20 5 CGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000549200300 289037540 /nfs/dbraw/zinc/03/75/40/289037540.db2.gz ZPBGJHCYHKIXTB-LBPRGKRZSA-N 1 1 295.383 3.136 20 5 CGBDMO Cc1cccc(N2CCC[N@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000549489025 289044960 /nfs/dbraw/zinc/04/49/60/289044960.db2.gz NVMZNJZHKYFPAI-UHFFFAOYSA-N 1 1 291.395 3.214 20 5 CGBDMO Cc1ccc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000567353928 322160148 /nfs/dbraw/zinc/16/01/48/322160148.db2.gz ORQSOYBPFNYIQM-ZDUSSCGKSA-N 1 1 290.363 3.047 20 5 CGBDMO Cc1ccc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000567353928 322160149 /nfs/dbraw/zinc/16/01/49/322160149.db2.gz ORQSOYBPFNYIQM-ZDUSSCGKSA-N 1 1 290.363 3.047 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCOCC23CCCCC3)c1 ZINC000569917278 322260461 /nfs/dbraw/zinc/26/04/61/322260461.db2.gz CTBTZLVTDXIVFI-UHFFFAOYSA-N 1 1 290.363 3.130 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCOCC23CCCCC3)c1 ZINC000569917278 322260463 /nfs/dbraw/zinc/26/04/63/322260463.db2.gz CTBTZLVTDXIVFI-UHFFFAOYSA-N 1 1 290.363 3.130 20 5 CGBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)C ZINC000572875727 322358968 /nfs/dbraw/zinc/35/89/68/322358968.db2.gz XXEKMQRPNIZNRO-UHFFFAOYSA-N 1 1 289.335 3.480 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000357718594 500894865 /nfs/dbraw/zinc/89/48/65/500894865.db2.gz WRZOIFGHMPNLHN-MNOVXSKESA-N 1 1 266.316 3.354 20 5 CGBDMO CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000161202503 521595815 /nfs/dbraw/zinc/59/58/15/521595815.db2.gz XATXJABEOLYQLL-XJKSGUPXSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000161202503 521595822 /nfs/dbraw/zinc/59/58/22/521595822.db2.gz XATXJABEOLYQLL-XJKSGUPXSA-N 1 1 291.395 3.120 20 5 CGBDMO CCCC[C@H](CN)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423294697 528955914 /nfs/dbraw/zinc/95/59/14/528955914.db2.gz CSTDHIVGUAZQHD-QWHCGFSZSA-N 1 1 279.384 3.071 20 5 CGBDMO CC[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000414119107 529200231 /nfs/dbraw/zinc/20/02/31/529200231.db2.gz WEBJGPJRTDBBRE-SMDDNHRTSA-N 1 1 288.351 3.130 20 5 CGBDMO CCC(C)(C)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000512281166 535355590 /nfs/dbraw/zinc/35/55/90/535355590.db2.gz JHIFQPHOQRLHKS-UHFFFAOYSA-N 1 1 280.368 3.484 20 5 CGBDMO CCC[N@@H+](CC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746663047 572889543 /nfs/dbraw/zinc/88/95/43/572889543.db2.gz MUWKTUSHKMHZFJ-UHFFFAOYSA-N 1 1 256.733 3.480 20 5 CGBDMO C[C@H]1CSCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000934298555 618581646 /nfs/dbraw/zinc/58/16/46/618581646.db2.gz KSCVNMJUYPSORF-JTQLQIEISA-N 1 1 284.356 3.061 20 5 CGBDMO CSC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000178565651 619291057 /nfs/dbraw/zinc/29/10/57/619291057.db2.gz BQSCBLQCPKWFRA-GFCCVEGCSA-N 1 1 284.356 3.061 20 5 CGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894498952 619554244 /nfs/dbraw/zinc/55/42/44/619554244.db2.gz MIRCELAJBQCHFX-PWSUYJOCSA-N 1 1 294.351 3.072 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(F)(F)CC1 ZINC000796539547 620103173 /nfs/dbraw/zinc/10/31/73/620103173.db2.gz BAOVUZFFKWESAW-SNVBAGLBSA-N 1 1 270.279 3.387 20 5 CGBDMO Cc1ccc(C[NH2+][C@H](C)c2ccco2)cc1[N+](=O)[O-] ZINC000035012606 620224827 /nfs/dbraw/zinc/22/48/27/620224827.db2.gz XXFXFXSUYVIYPN-LLVKDONJSA-N 1 1 260.293 3.347 20 5 CGBDMO CC[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCS1 ZINC000174366943 623385334 /nfs/dbraw/zinc/38/53/34/623385334.db2.gz UTXXGQALDRGLDC-LBPRGKRZSA-N 1 1 284.356 3.061 20 5 CGBDMO CC[C@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCS1 ZINC000174366943 623385344 /nfs/dbraw/zinc/38/53/44/623385344.db2.gz UTXXGQALDRGLDC-LBPRGKRZSA-N 1 1 284.356 3.061 20 5 CGBDMO CCOC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000839183758 626327207 /nfs/dbraw/zinc/32/72/07/626327207.db2.gz OADMJRGNBXCDPG-AWEZNQCLSA-N 1 1 296.342 3.125 20 5 CGBDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000839183758 626327208 /nfs/dbraw/zinc/32/72/08/626327208.db2.gz OADMJRGNBXCDPG-AWEZNQCLSA-N 1 1 296.342 3.125 20 5 CGBDMO CC[C@@H](NCC[N@@H+]1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000766269258 627308908 /nfs/dbraw/zinc/30/89/08/627308908.db2.gz MEKKGOLJRTWDLG-XJKSGUPXSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[C@@H](NCC[N@H+]1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000766269258 627308910 /nfs/dbraw/zinc/30/89/10/627308910.db2.gz MEKKGOLJRTWDLG-XJKSGUPXSA-N 1 1 291.395 3.120 20 5 CGBDMO CC[C@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774907279 628048841 /nfs/dbraw/zinc/04/88/41/628048841.db2.gz BPLXQQIURJIZTC-CQSZACIVSA-N 1 1 293.323 3.125 20 5 CGBDMO C/C=C/C[C@H]1CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000863339127 629537329 /nfs/dbraw/zinc/53/73/29/629537329.db2.gz ANTAIPJJXGPBPL-NNTXTVRGSA-N 1 1 292.383 3.044 20 5 CGBDMO C/C=C/C[C@H]1CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000863339127 629537334 /nfs/dbraw/zinc/53/73/34/629537334.db2.gz ANTAIPJJXGPBPL-NNTXTVRGSA-N 1 1 292.383 3.044 20 5 CGBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC(C)(C)C1 ZINC000796529918 629795517 /nfs/dbraw/zinc/79/55/17/629795517.db2.gz CSPSIZSQNPCFOG-HUUCEWRRSA-N 1 1 292.379 3.139 20 5 CGBDMO CO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000824814708 633294552 /nfs/dbraw/zinc/29/45/52/633294552.db2.gz DQGVQVBNSWVDCK-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000824814708 633294578 /nfs/dbraw/zinc/29/45/78/633294578.db2.gz DQGVQVBNSWVDCK-YGRLFVJLSA-N 1 1 298.770 3.105 20 5 CGBDMO Cc1ncccc1C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872089887 634016032 /nfs/dbraw/zinc/01/60/32/634016032.db2.gz HKFMLXCRNFNBIQ-NSHDSACASA-N 1 1 289.310 3.288 20 5 CGBDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000877814789 635222154 /nfs/dbraw/zinc/22/21/54/635222154.db2.gz WOLWJTSVHCZNBT-LBPRGKRZSA-N 1 1 288.269 3.369 20 5 CGBDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1C ZINC000842168013 635303652 /nfs/dbraw/zinc/30/36/52/635303652.db2.gz ZKSXMGYBZAHIRA-MXWKQRLJSA-N 1 1 266.316 3.210 20 5 CGBDMO CO[C@H]1C[C@@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000877992856 635311594 /nfs/dbraw/zinc/31/15/94/635311594.db2.gz RZNJRJXIKSEOHD-FZNQNYSPSA-N 1 1 292.379 3.230 20 5 CGBDMO C[C@H]1OCC[C@H]1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000878208001 635414926 /nfs/dbraw/zinc/41/49/26/635414926.db2.gz OZFUBCCOWANEOH-MNOVXSKESA-N 1 1 298.770 3.105 20 5 CGBDMO CC(C)O[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000844379227 635885264 /nfs/dbraw/zinc/88/52/64/635885264.db2.gz OEBHWZXVFOQWGE-CQSZACIVSA-N 1 1 296.342 3.123 20 5 CGBDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000844379227 635885265 /nfs/dbraw/zinc/88/52/65/635885265.db2.gz OEBHWZXVFOQWGE-CQSZACIVSA-N 1 1 296.342 3.123 20 5 CGBDMO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000885956701 637330465 /nfs/dbraw/zinc/33/04/65/637330465.db2.gz WINGWCVYONGAIK-UHFFFAOYSA-N 1 1 263.341 3.144 20 5 CGBDMO CC(C)C[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886075070 637401660 /nfs/dbraw/zinc/40/16/60/637401660.db2.gz BUEUZWZUYANXCB-AWEZNQCLSA-N 1 1 277.368 3.390 20 5 CGBDMO CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852592011 637684391 /nfs/dbraw/zinc/68/43/91/637684391.db2.gz FRZNWSIQUNDRMV-IOASZLSFSA-N 1 1 292.379 3.139 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000852636341 637687735 /nfs/dbraw/zinc/68/77/35/637687735.db2.gz SADBOCWIYRKMKT-UWVGGRQHSA-N 1 1 266.728 3.090 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000852636341 637687739 /nfs/dbraw/zinc/68/77/39/637687739.db2.gz SADBOCWIYRKMKT-UWVGGRQHSA-N 1 1 266.728 3.090 20 5 CGBDMO C[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000858170595 638648677 /nfs/dbraw/zinc/64/86/77/638648677.db2.gz OWUBCQCZDARMKL-GXTWGEPZSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000858170595 638648680 /nfs/dbraw/zinc/64/86/80/638648680.db2.gz OWUBCQCZDARMKL-GXTWGEPZSA-N 1 1 291.395 3.118 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040718145 639896596 /nfs/dbraw/zinc/89/65/96/639896596.db2.gz KCULGFATBGNAKX-VIFPVBQESA-N 1 1 254.717 3.090 20 5 CGBDMO Cc1c(C[N@H+]2CC3CCC2CC3)cccc1[N+](=O)[O-] ZINC001254087929 806340201 /nfs/dbraw/zinc/34/02/01/806340201.db2.gz CJDJJPDIXNPOQV-UHFFFAOYSA-N 1 1 260.337 3.278 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC1(F)F ZINC001254542389 806446761 /nfs/dbraw/zinc/44/67/61/806446761.db2.gz MSXNOAYDJCYSLE-ZWNOBZJWSA-N 1 1 284.306 3.303 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001254551736 806448111 /nfs/dbraw/zinc/44/81/11/806448111.db2.gz FAJONJBAHIXDNQ-DFBGVHRSSA-N 1 1 298.333 3.298 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001254551736 806448116 /nfs/dbraw/zinc/44/81/16/806448116.db2.gz FAJONJBAHIXDNQ-DFBGVHRSSA-N 1 1 298.333 3.298 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001254559636 806449632 /nfs/dbraw/zinc/44/96/32/806449632.db2.gz LIXRZQXYTIAGRT-BNOWGMLFSA-N 1 1 274.364 3.114 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CC1CCC1 ZINC001254562849 806451752 /nfs/dbraw/zinc/45/17/52/806451752.db2.gz PRVGYKNRSFXWRC-GFCCVEGCSA-N 1 1 262.353 3.258 20 5 CGBDMO CC[N@@H+](Cc1cccnc1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254562946 806451794 /nfs/dbraw/zinc/45/17/94/806451794.db2.gz SCSUDJRJCKAZSY-CQSZACIVSA-N 1 1 299.374 3.443 20 5 CGBDMO CC(C)O[C@H]1CC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254565361 806450780 /nfs/dbraw/zinc/45/07/80/806450780.db2.gz OPRNKJMWVKGKRU-ZFWWWQNUSA-N 1 1 292.379 3.025 20 5 CGBDMO C[C@H]1CCCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601097 806458417 /nfs/dbraw/zinc/45/84/17/806458417.db2.gz ZGNQJEADCIWUBM-BLLLJJGKSA-N 1 1 274.364 3.184 20 5 CGBDMO C[N@@H+](CC(C)(C)C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600699 806459017 /nfs/dbraw/zinc/45/90/17/806459017.db2.gz QSGDFMSYVFVVBA-CQSZACIVSA-N 1 1 262.353 3.040 20 5 CGBDMO CC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000037403680 798867596 /nfs/dbraw/zinc/86/75/96/798867596.db2.gz JCAOGUVPOPTDOQ-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC001163436760 806762391 /nfs/dbraw/zinc/76/23/91/806762391.db2.gz FHLVKTXMVWWTSK-NSHDSACASA-N 1 1 283.347 3.266 20 5 CGBDMO C[N@@H+](Cc1cccc2cccnc21)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036489 807555580 /nfs/dbraw/zinc/55/55/80/807555580.db2.gz OTDWFTBCQFJDDF-BBRMVZONSA-N 1 1 299.374 3.112 20 5 CGBDMO COc1ccc([C@H](C)[N@@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169039514 807557474 /nfs/dbraw/zinc/55/74/74/807557474.db2.gz QMFRGAJDGUMRAZ-YDHLFZDLSA-N 1 1 292.379 3.133 20 5 CGBDMO C[N@@H+](C/C=C/c1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038634 807557658 /nfs/dbraw/zinc/55/76/58/807557658.db2.gz JPYAJEPCRSWVNC-IDSJHHPBSA-N 1 1 274.364 3.077 20 5 CGBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1C ZINC001169285472 807623811 /nfs/dbraw/zinc/62/38/11/807623811.db2.gz WIUVABYCHIBBIH-TZMCWYRMSA-N 1 1 294.399 3.000 20 5 CGBDMO COc1ccc(C[C@@H](C)[N@@H+](C)CCC2CC2)c([N+](=O)[O-])c1 ZINC001170353129 807828933 /nfs/dbraw/zinc/82/89/33/807828933.db2.gz WNAZHAMRYZFMNF-GFCCVEGCSA-N 1 1 292.379 3.266 20 5 CGBDMO C[C@@H]1C[C@H](C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H](C)O1 ZINC001262231263 807839032 /nfs/dbraw/zinc/83/90/32/807839032.db2.gz ZBEPYGBLSAFICU-ITGUQSILSA-N 1 1 290.363 3.114 20 5 CGBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)CC(C)C)c1F ZINC001173182590 808533951 /nfs/dbraw/zinc/53/39/51/808533951.db2.gz HQEFKIBNZOGKOV-NSHDSACASA-N 1 1 298.358 3.261 20 5 CGBDMO CC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001173225793 808541199 /nfs/dbraw/zinc/54/11/99/808541199.db2.gz GJJSTKIOEMLTNH-ZDUSSCGKSA-N 1 1 292.379 3.027 20 5 CGBDMO CCO[C@@H]1CCC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173227568 808541756 /nfs/dbraw/zinc/54/17/56/808541756.db2.gz QWQODLHCSXYPBG-CZUORRHYSA-N 1 1 292.379 3.027 20 5 CGBDMO CO[C@@H]1CCC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173232464 808543053 /nfs/dbraw/zinc/54/30/53/808543053.db2.gz GVBHFNVABYTPIB-XJKSGUPXSA-N 1 1 292.379 3.027 20 5 CGBDMO Cc1c(CO[C@@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001223330501 816606809 /nfs/dbraw/zinc/60/68/09/816606809.db2.gz RQUXSUJEMDSDER-OAHLLOKOSA-N 1 1 292.379 3.293 20 5 CGBDMO CC[N@H+]1CCC[C@H](O[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001223432468 816629705 /nfs/dbraw/zinc/62/97/05/816629705.db2.gz VDSCUHWFOUPFRB-WFASDCNBSA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1cccc([N+](=O)[O-])c1CO[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001223538208 816648153 /nfs/dbraw/zinc/64/81/53/816648153.db2.gz ILIGNFRSVUQGIW-CQSZACIVSA-N 1 1 292.379 3.293 20 5 CGBDMO C[C@H](O[C@H]1CCC[N@@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001224027929 816724110 /nfs/dbraw/zinc/72/41/10/816724110.db2.gz XXYLRFGORIBMCF-WFASDCNBSA-N 1 1 278.352 3.157 20 5 CGBDMO Cc1cc(C)c(O[C@@H]2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001228228856 817844517 /nfs/dbraw/zinc/84/45/17/817844517.db2.gz CHANZNRYOINJRM-CYBMUJFWSA-N 1 1 278.352 3.075 20 5 CGBDMO CC(C)(C)[NH+]1CC(Oc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001228757035 818000147 /nfs/dbraw/zinc/00/01/47/818000147.db2.gz RRRAKRNURCFEOV-UHFFFAOYSA-N 1 1 284.743 3.110 20 5 CGBDMO CC(C)[C@H](C)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917025810 927608443 /nfs/dbraw/zinc/60/84/43/927608443.db2.gz PUUFRBCYCIDRHT-JTQLQIEISA-N 1 1 254.305 3.210 20 5 CGBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C1CCCC1 ZINC001458603672 937469554 /nfs/dbraw/zinc/46/95/54/937469554.db2.gz MLKWAGVABWESKJ-ZDUSSCGKSA-N 1 1 289.379 3.048 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)C[C@@H]2CC(C)C)c1 ZINC001458644690 937470862 /nfs/dbraw/zinc/47/08/62/937470862.db2.gz JYLVHVMLBNEGAH-AWEZNQCLSA-N 1 1 291.395 3.070 20 5 CGBDMO CC(C)(C)[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001459806694 937501070 /nfs/dbraw/zinc/50/10/70/937501070.db2.gz LHTGQUCCMYLXIH-CYBMUJFWSA-N 1 1 292.379 3.342 20 5 CGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(F)CC1 ZINC001460697118 937541312 /nfs/dbraw/zinc/54/13/12/937541312.db2.gz UNULUZUMFUBMKE-UHFFFAOYSA-N 1 1 296.342 3.316 20 5 CGBDMO C[NH+]1CC(Oc2c3ccccc3c(O)c3ccccc32)C1 ZINC001229025546 932074549 /nfs/dbraw/zinc/07/45/49/932074549.db2.gz SKMLHOVYEDCCOR-UHFFFAOYSA-N 1 1 279.339 3.391 20 5 CGBDMO Cc1cc([N+](=O)[O-])c(O[C@@H]2CCC[N@H+](C(C)C)C2)cc1F ZINC001229895877 932500752 /nfs/dbraw/zinc/50/07/52/932500752.db2.gz WKSIAZWHKRYSSS-GFCCVEGCSA-N 1 1 296.342 3.294 20 5 CGBDMO Cc1cc(NCC[N@H+]2CCC(C)(C)C2)c(F)cc1[N+](=O)[O-] ZINC001307229872 932780778 /nfs/dbraw/zinc/78/07/78/932780778.db2.gz LWSXZHLDEPGQNG-UHFFFAOYSA-N 1 1 295.358 3.186 20 5 CGBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCSC ZINC001307901619 933016386 /nfs/dbraw/zinc/01/63/86/933016386.db2.gz UDJKSNABIZZGGG-UHFFFAOYSA-N 1 1 298.408 3.049 20 5 CGBDMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001318785284 933778334 /nfs/dbraw/zinc/77/83/34/933778334.db2.gz UJDOTHRDBZYSEX-STQMWFEESA-N 1 1 280.393 3.311 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)CN(c1cc[nH+]cc1Cl)C2 ZINC001319404733 933870264 /nfs/dbraw/zinc/87/02/64/933870264.db2.gz QDEBENFQZMFUQE-UHFFFAOYSA-N 1 1 275.695 3.163 20 5 CGBDMO CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)(C)C ZINC001325203714 934894112 /nfs/dbraw/zinc/89/41/12/934894112.db2.gz KQUDQRKSJGUNQM-UHFFFAOYSA-N 1 1 284.331 3.363 20 5 CGBDMO CCC[C@@H](C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)OC ZINC001474319773 937851052 /nfs/dbraw/zinc/85/10/52/937851052.db2.gz SHRQFMXPFIGUJB-INIZCTEOSA-N 1 1 292.379 3.374 20 5 CGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H]1C(C)C ZINC001560707542 938271793 /nfs/dbraw/zinc/27/17/93/938271793.db2.gz NLHZHTTUTDZVTH-CQSZACIVSA-N 1 1 262.353 3.442 20 5 CGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(CF)CC2)c(Cl)c1 ZINC000294962906 199273048 /nfs/dbraw/zinc/27/30/48/199273048.db2.gz DZKYJMQHDKYYMY-UHFFFAOYSA-N 1 1 286.734 3.430 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)cc1 ZINC000590602853 346853707 /nfs/dbraw/zinc/85/37/07/346853707.db2.gz ZGYHYYGDKVWYIU-OAHLLOKOSA-N 1 1 297.358 3.369 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c1 ZINC000590599136 346854124 /nfs/dbraw/zinc/85/41/24/346854124.db2.gz AHFRLJCNYAUMLF-HNNXBMFYSA-N 1 1 297.358 3.369 20 5 CGBDMO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)on1 ZINC000125587363 187192475 /nfs/dbraw/zinc/19/24/75/187192475.db2.gz MYMUHHMBDQBKIV-LLVKDONJSA-N 1 1 275.308 3.050 20 5 CGBDMO Cc1ccc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)o1 ZINC000042978250 344991485 /nfs/dbraw/zinc/99/14/85/344991485.db2.gz IDOBFVAYOUYDIM-UHFFFAOYSA-N 1 1 260.293 3.128 20 5 CGBDMO Cc1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)o1 ZINC000042978250 344991486 /nfs/dbraw/zinc/99/14/86/344991486.db2.gz IDOBFVAYOUYDIM-UHFFFAOYSA-N 1 1 260.293 3.128 20 5 CGBDMO C[C@@H](C1CC1)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000047908993 345056826 /nfs/dbraw/zinc/05/68/26/345056826.db2.gz WUYTXFNCBXWRDA-LBPRGKRZSA-N 1 1 290.363 3.237 20 5 CGBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](C)C(C)C ZINC000065298999 345271351 /nfs/dbraw/zinc/27/13/51/345271351.db2.gz BSRSDEVNGVEYPS-CYBMUJFWSA-N 1 1 280.368 3.340 20 5 CGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCS[C@H](C)C1 ZINC000075715436 345519694 /nfs/dbraw/zinc/51/96/94/345519694.db2.gz QADJXCKFQGZGQP-MNOVXSKESA-N 1 1 266.366 3.093 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)CN(c1cc[nH+]cc1Cl)CC2 ZINC000088763991 345765314 /nfs/dbraw/zinc/76/53/14/345765314.db2.gz OFJMTVUINPXONL-UHFFFAOYSA-N 1 1 289.722 3.206 20 5 CGBDMO Cc1cc(N[C@@H](C)c2ccccc2[N+](=O)[O-])nc(C)[nH+]1 ZINC000271684152 346411492 /nfs/dbraw/zinc/41/14/92/346411492.db2.gz KJMCSJFVYUIGHK-JTQLQIEISA-N 1 1 272.308 3.175 20 5 CGBDMO Cc1noc(C[N@@H+](C2CC2)C2CCCCC2)c1[N+](=O)[O-] ZINC000595289618 347287268 /nfs/dbraw/zinc/28/72/68/347287268.db2.gz GCLRXXPIERTKGO-UHFFFAOYSA-N 1 1 279.340 3.188 20 5 CGBDMO CC[C@@H](C)[C@H](C)[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595302044 347289281 /nfs/dbraw/zinc/28/92/81/347289281.db2.gz IQEFJHKGCHIIRN-KOLCDFICSA-N 1 1 281.356 3.290 20 5 CGBDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595329931 347292679 /nfs/dbraw/zinc/29/26/79/347292679.db2.gz YQAPYPFZTHIPPG-ZYHUDNBSSA-N 1 1 281.356 3.292 20 5 CGBDMO CCC[C@@]1(C)CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595331986 347293320 /nfs/dbraw/zinc/29/33/20/347293320.db2.gz AQBXJSBBBQPCGX-AWEZNQCLSA-N 1 1 281.356 3.293 20 5 CGBDMO Cc1noc(C[N@@H+]2CCC[C@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC000595343814 347294842 /nfs/dbraw/zinc/29/48/42/347294842.db2.gz JZFIVMMQIPZYNT-GFCCVEGCSA-N 1 1 281.356 3.149 20 5 CGBDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595352888 347295426 /nfs/dbraw/zinc/29/54/26/347295426.db2.gz QCLGOOUDBAXELI-LBPRGKRZSA-N 1 1 284.356 3.061 20 5 CGBDMO Cc1noc(C[N@@H+]2CCC[C@@H]2CCC(C)C)c1[N+](=O)[O-] ZINC000595349703 347295633 /nfs/dbraw/zinc/29/56/33/347295633.db2.gz DBBDHNOMGZFWKP-GFCCVEGCSA-N 1 1 281.356 3.292 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccoc1 ZINC000595017224 347258028 /nfs/dbraw/zinc/25/80/28/347258028.db2.gz KKIWSXYZQCUHKG-SNVBAGLBSA-N 1 1 276.292 3.047 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000595755488 347350285 /nfs/dbraw/zinc/35/02/85/347350285.db2.gz MNEROGSVKOOCQZ-GFCCVEGCSA-N 1 1 296.342 3.175 20 5 CGBDMO Cc1noc(C[N@@H+]2CCC=C(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595478958 347309196 /nfs/dbraw/zinc/30/91/96/347309196.db2.gz XSMMURHCDQLVCT-UHFFFAOYSA-N 1 1 299.330 3.181 20 5 CGBDMO Cc1noc(C[N@H+]2CCC=C(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595478958 347309201 /nfs/dbraw/zinc/30/92/01/347309201.db2.gz XSMMURHCDQLVCT-UHFFFAOYSA-N 1 1 299.330 3.181 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000595516142 347314443 /nfs/dbraw/zinc/31/44/43/347314443.db2.gz FZSMDMJGFDIEHU-CQSZACIVSA-N 1 1 296.367 3.061 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000595516142 347314446 /nfs/dbraw/zinc/31/44/46/347314446.db2.gz FZSMDMJGFDIEHU-CQSZACIVSA-N 1 1 296.367 3.061 20 5 CGBDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595541756 347317435 /nfs/dbraw/zinc/31/74/35/347317435.db2.gz CITYMYXNSZUTKQ-JTQLQIEISA-N 1 1 266.316 3.354 20 5 CGBDMO CC[C@@H](C)[N@@H+](CC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000595593041 347322843 /nfs/dbraw/zinc/32/28/43/347322843.db2.gz MOFSSEYDOUICSY-GFCCVEGCSA-N 1 1 296.367 3.103 20 5 CGBDMO Cc1cc(NCC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])s1 ZINC000596271669 347408813 /nfs/dbraw/zinc/40/88/13/347408813.db2.gz RZSKJBYIUJKYJH-NSHDSACASA-N 1 1 283.397 3.109 20 5 CGBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000596336017 347422454 /nfs/dbraw/zinc/42/24/54/347422454.db2.gz KIZHCPRMSJAQTD-JTQLQIEISA-N 1 1 281.331 3.019 20 5 CGBDMO Cc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000597159596 347542167 /nfs/dbraw/zinc/54/21/67/347542167.db2.gz PPHQVCSEGYOTSH-KBPBESRZSA-N 1 1 260.337 3.278 20 5 CGBDMO COc1cc(C[N@H+]2CCCC3(CC3)CC2)ccc1[N+](=O)[O-] ZINC000599672919 347763302 /nfs/dbraw/zinc/76/33/02/347763302.db2.gz JVZGRJPEPUUVMN-UHFFFAOYSA-N 1 1 290.363 3.370 20 5 CGBDMO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000599624204 347758846 /nfs/dbraw/zinc/75/88/46/347758846.db2.gz UADIMCQBKDMIDP-SNVBAGLBSA-N 1 1 270.279 3.214 20 5 CGBDMO C[C@H]1CSCCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601121922 347872014 /nfs/dbraw/zinc/87/20/14/347872014.db2.gz RHHSGFWHXVOUCR-JTQLQIEISA-N 1 1 289.360 3.085 20 5 CGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@H]4C[C@H]43)c2c1 ZINC000601165650 347876756 /nfs/dbraw/zinc/87/67/56/347876756.db2.gz RHUAPVPNHAKSKY-ZUZCIYMTSA-N 1 1 269.304 3.132 20 5 CGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@]1(C)CC(C)C ZINC000602837703 348035314 /nfs/dbraw/zinc/03/53/14/348035314.db2.gz YXALUUMHFDSWOK-OAHLLOKOSA-N 1 1 294.399 3.000 20 5 CGBDMO Cc1c(C[N@@H+](C)CCOC(C)(C)C)cccc1[N+](=O)[O-] ZINC000610859759 348407068 /nfs/dbraw/zinc/40/70/68/348407068.db2.gz LJSHUMGLNAMUQR-UHFFFAOYSA-N 1 1 280.368 3.150 20 5 CGBDMO CC(C)c1ccc(C[N@@H+](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000611262118 348433594 /nfs/dbraw/zinc/43/35/94/348433594.db2.gz ADYZTZWLVHWVDC-UHFFFAOYSA-N 1 1 292.379 3.329 20 5 CGBDMO CC[N@@H+](C[C@H]1CCOC1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611204930 348428290 /nfs/dbraw/zinc/42/82/90/348428290.db2.gz BMYNDOZDQJBIEF-QWHCGFSZSA-N 1 1 278.352 3.014 20 5 CGBDMO COc1cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000351977736 219273796 /nfs/dbraw/zinc/27/37/96/219273796.db2.gz KGHQZBFUUSDDOP-TXEJJXNPSA-N 1 1 278.352 3.081 20 5 CGBDMO C[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC000352028964 219295785 /nfs/dbraw/zinc/29/57/85/219295785.db2.gz QUBBQSKSJIDHRE-IUCAKERBSA-N 1 1 270.279 3.103 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC000352028964 219295787 /nfs/dbraw/zinc/29/57/87/219295787.db2.gz QUBBQSKSJIDHRE-IUCAKERBSA-N 1 1 270.279 3.103 20 5 CGBDMO CC[C@H]([NH2+]C[C@@H](C)N(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000127591325 138389509 /nfs/dbraw/zinc/38/95/09/138389509.db2.gz XUBBXWORLHUSKL-CJNGLKHVSA-N 1 1 293.411 3.366 20 5 CGBDMO COC[C@@]1(C)CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000296843846 200012754 /nfs/dbraw/zinc/01/27/54/200012754.db2.gz SVHCKWUZVSXTLR-WFASDCNBSA-N 1 1 278.352 3.014 20 5 CGBDMO C[C@@H]1Cc2c([nH+]cn2Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451005010 240189702 /nfs/dbraw/zinc/18/97/02/240189702.db2.gz XNXZWFDBCVMHEZ-VHSXEESVSA-N 1 1 291.376 3.272 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@]3(CCSC3)C2)cs1 ZINC000335582253 212292845 /nfs/dbraw/zinc/29/28/45/212292845.db2.gz SJYVTRWIMOZRIB-ZDUSSCGKSA-N 1 1 298.433 3.375 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@]3(CCSC3)C2)cs1 ZINC000335582253 212292847 /nfs/dbraw/zinc/29/28/47/212292847.db2.gz SJYVTRWIMOZRIB-ZDUSSCGKSA-N 1 1 298.433 3.375 20 5 CGBDMO CC(C)[N@@H+](Cc1cccnc1)Cc1cccc([N+](=O)[O-])c1 ZINC000125649746 370938628 /nfs/dbraw/zinc/93/86/28/370938628.db2.gz NGWNLNUBXWAXIY-UHFFFAOYSA-N 1 1 285.347 3.400 20 5 CGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330615489 203041197 /nfs/dbraw/zinc/04/11/97/203041197.db2.gz UETZZPKMWQNBCW-YPMHNXCESA-N 1 1 278.352 3.224 20 5 CGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1(C)CCCC1 ZINC000490169200 243726056 /nfs/dbraw/zinc/72/60/56/243726056.db2.gz FCVRHCGFIWWSDL-UHFFFAOYSA-N 1 1 278.352 3.238 20 5 CGBDMO CCCN1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000037177142 369074064 /nfs/dbraw/zinc/07/40/64/369074064.db2.gz DHVMBHWQAALGJI-CYBMUJFWSA-N 1 1 291.395 3.120 20 5 CGBDMO CC(C)[N@@H+](CCc1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350569 369653261 /nfs/dbraw/zinc/65/32/61/369653261.db2.gz ZMAMYUUARFYFBQ-UHFFFAOYSA-N 1 1 299.374 3.443 20 5 CGBDMO C[C@@H]([NH2+][C@@H](CN)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423258381 296153151 /nfs/dbraw/zinc/15/31/51/296153151.db2.gz BKCZMVWHRWNOPV-WBMJQRKESA-N 1 1 291.395 3.153 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCOC2CCC2)C2CC2)cc1 ZINC000287756541 371702751 /nfs/dbraw/zinc/70/27/51/371702751.db2.gz LXVQBSDQXKVWJL-UHFFFAOYSA-N 1 1 290.363 3.128 20 5 CGBDMO CCC[C@H](NC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423220305 372040083 /nfs/dbraw/zinc/04/00/83/372040083.db2.gz XZBVGMMVVLPLOX-CJNGLKHVSA-N 1 1 291.395 3.025 20 5 CGBDMO CC[N@@H+](CCc1nccs1)Cc1cccc([N+](=O)[O-])c1 ZINC000159206158 372116546 /nfs/dbraw/zinc/11/65/46/372116546.db2.gz CFTXCFFKDPIJIQ-UHFFFAOYSA-N 1 1 291.376 3.116 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1csc(C)c1 ZINC000294208895 372614447 /nfs/dbraw/zinc/61/44/47/372614447.db2.gz MJXWFIRSMBKGMW-UHFFFAOYSA-N 1 1 292.360 3.263 20 5 CGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000441441622 373014421 /nfs/dbraw/zinc/01/44/21/373014421.db2.gz RWNIBKYCXQPRLK-IUODEOHRSA-N 1 1 290.363 3.368 20 5 CGBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000172861282 373051690 /nfs/dbraw/zinc/05/16/90/373051690.db2.gz DONKBQNILSTOGJ-VHSXEESVSA-N 1 1 254.355 3.277 20 5 CGBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000173913482 373215259 /nfs/dbraw/zinc/21/52/59/373215259.db2.gz QZZWZTZLIJZEIJ-UHFFFAOYSA-N 1 1 254.717 3.233 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000177182326 373660986 /nfs/dbraw/zinc/66/09/86/373660986.db2.gz FIMMOOZBBLKDDI-GJZGRUSLSA-N 1 1 292.404 3.455 20 5 CGBDMO Cc1cc(NCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301108336 373663864 /nfs/dbraw/zinc/66/38/64/373663864.db2.gz QMJFKFJLVPDDLK-ZDUSSCGKSA-N 1 1 277.368 3.190 20 5 CGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1(C)C ZINC000449496842 373792685 /nfs/dbraw/zinc/79/26/85/373792685.db2.gz HSNQRMQSMQBJJO-OAHLLOKOSA-N 1 1 292.379 3.150 20 5 CGBDMO C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182204232 374235096 /nfs/dbraw/zinc/23/50/96/374235096.db2.gz BUUXATIPHLCIRM-VIFPVBQESA-N 1 1 254.717 3.233 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](CCCO)C1 ZINC000452113477 374237366 /nfs/dbraw/zinc/23/73/66/374237366.db2.gz CAGFIQBYGBKVRI-ZIAGYGMSSA-N 1 1 292.379 3.059 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000182932402 374344702 /nfs/dbraw/zinc/34/47/02/374344702.db2.gz PEXGPQOTTGUUSY-ZDUSSCGKSA-N 1 1 285.347 3.491 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000182934477 374346556 /nfs/dbraw/zinc/34/65/56/374346556.db2.gz GQBMUVGDCQQLKB-WWGRRREGSA-N 1 1 292.379 3.057 20 5 CGBDMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nccn2C)cc1[N+](=O)[O-] ZINC000183317340 374401553 /nfs/dbraw/zinc/40/15/53/374401553.db2.gz JWADYWUIGIPUMH-NEPJUHHUSA-N 1 1 288.351 3.049 20 5 CGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331417984 374532037 /nfs/dbraw/zinc/53/20/37/374532037.db2.gz DKHUMSJWEHGHTP-HZMBPMFUSA-N 1 1 288.351 3.092 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)(C)C1 ZINC000331530626 374541176 /nfs/dbraw/zinc/54/11/76/374541176.db2.gz QYDGLXOIGUYPAC-JTQLQIEISA-N 1 1 288.351 3.092 20 5 CGBDMO Cc1ccc(NCCNc2cccc(C)[nH+]2)c([N+](=O)[O-])c1 ZINC000338293521 376319835 /nfs/dbraw/zinc/31/98/35/376319835.db2.gz ILCLLDIBOQQFKM-UHFFFAOYSA-N 1 1 286.335 3.131 20 5 CGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000540054857 376354448 /nfs/dbraw/zinc/35/44/48/376354448.db2.gz CKVAGJMQTHVUMY-QWHCGFSZSA-N 1 1 278.352 3.237 20 5 CGBDMO CC(C)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000339100440 376681088 /nfs/dbraw/zinc/68/10/88/376681088.db2.gz ZZRVILMBBINFFG-UHFFFAOYSA-N 1 1 250.342 3.461 20 5 CGBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc3ccccc3n2)cs1 ZINC000340405116 377038839 /nfs/dbraw/zinc/03/88/39/377038839.db2.gz JOKJHMPEERAHFR-UHFFFAOYSA-N 1 1 299.355 3.494 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000247148844 377167273 /nfs/dbraw/zinc/16/72/73/377167273.db2.gz WVOKDLVHKYLNHU-TZMCWYRMSA-N 1 1 293.411 3.284 20 5 CGBDMO CC[C@@H](C)N(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000247148844 377167279 /nfs/dbraw/zinc/16/72/79/377167279.db2.gz WVOKDLVHKYLNHU-TZMCWYRMSA-N 1 1 293.411 3.284 20 5 CGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1ccccc1)CC2 ZINC000088605313 249027430 /nfs/dbraw/zinc/02/74/30/249027430.db2.gz ZALJHCVCMVOETP-UHFFFAOYSA-N 1 1 282.343 3.196 20 5 CGBDMO C[C@@H]1C[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000090795028 249029229 /nfs/dbraw/zinc/02/92/29/249029229.db2.gz FPMFOTBLMDQZTG-KOLCDFICSA-N 1 1 283.759 3.143 20 5 CGBDMO Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000314234520 249095399 /nfs/dbraw/zinc/09/53/99/249095399.db2.gz XJXWJHPGRJHADO-VXGBXAGGSA-N 1 1 293.342 3.081 20 5 CGBDMO CCOC1CC([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000515712227 249218938 /nfs/dbraw/zinc/21/89/38/249218938.db2.gz QQORNQUDFALODD-SOFGYWHQSA-N 1 1 290.363 3.107 20 5 CGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]2C2CCC2)c1 ZINC000343012753 377882895 /nfs/dbraw/zinc/88/28/95/377882895.db2.gz YBXPVVWSUSHDFJ-HNNXBMFYSA-N 1 1 260.337 3.359 20 5 CGBDMO CN(CCc1ccccc1[N+](=O)[O-])c1cc[nH+]cc1Cl ZINC000343222561 377932388 /nfs/dbraw/zinc/93/23/88/377932388.db2.gz GCRYFRLEJILULX-UHFFFAOYSA-N 1 1 291.738 3.322 20 5 CGBDMO Cc1c(C[N@@H+]2CCOC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000268970720 378163292 /nfs/dbraw/zinc/16/32/92/378163292.db2.gz IDRBBVYCKQPDCV-UHFFFAOYSA-N 1 1 290.363 3.048 20 5 CGBDMO Cc1c(C[N@H+]2CCOC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000268970720 378163295 /nfs/dbraw/zinc/16/32/95/378163295.db2.gz IDRBBVYCKQPDCV-UHFFFAOYSA-N 1 1 290.363 3.048 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000272518056 378656614 /nfs/dbraw/zinc/65/66/14/378656614.db2.gz KYMVUSYYLVLNKS-XJKCOSOUSA-N 1 1 292.379 3.139 20 5 CGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCc1ccccn1 ZINC000348291880 378889739 /nfs/dbraw/zinc/88/97/39/378889739.db2.gz JXUUMSIHSBXGLE-CYBMUJFWSA-N 1 1 285.347 3.225 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](C)(F)C1 ZINC000347390672 218216945 /nfs/dbraw/zinc/21/69/45/218216945.db2.gz SPFCPYFHWDICQS-GWCFXTLKSA-N 1 1 252.289 3.090 20 5 CGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](C)(F)C1 ZINC000347390672 218216947 /nfs/dbraw/zinc/21/69/47/218216947.db2.gz SPFCPYFHWDICQS-GWCFXTLKSA-N 1 1 252.289 3.090 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCCCCO ZINC000278819365 194168514 /nfs/dbraw/zinc/16/85/14/194168514.db2.gz HJOJVLMMJSOGOI-ZDUSSCGKSA-N 1 1 280.368 3.059 20 5 CGBDMO COc1cc(C[N@H+](C)[C@@H](C)c2ccco2)ccc1[N+](=O)[O-] ZINC000352403995 379799300 /nfs/dbraw/zinc/79/93/00/379799300.db2.gz AKPMHLDRZLCEIK-NSHDSACASA-N 1 1 290.319 3.389 20 5 CGBDMO COc1cc(C[N@@H+](C)[C@@H](C)c2ccco2)ccc1[N+](=O)[O-] ZINC000352403995 379799307 /nfs/dbraw/zinc/79/93/07/379799307.db2.gz AKPMHLDRZLCEIK-NSHDSACASA-N 1 1 290.319 3.389 20 5 CGBDMO Cc1cc(N[C@@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000388382792 379886542 /nfs/dbraw/zinc/88/65/42/379886542.db2.gz SGMAAHZMOXELCC-LBPRGKRZSA-N 1 1 265.357 3.044 20 5 CGBDMO CC(C)SCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000283702852 380083606 /nfs/dbraw/zinc/08/36/06/380083606.db2.gz YMTHFBGNGPGPDZ-UHFFFAOYSA-N 1 1 268.382 3.168 20 5 CGBDMO CO[C@]1(C)C[C@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000353935317 380244171 /nfs/dbraw/zinc/24/41/71/380244171.db2.gz UJDFXYOPOKQNCK-SMDDNHRTSA-N 1 1 298.408 3.292 20 5 CGBDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000353935317 380244172 /nfs/dbraw/zinc/24/41/72/380244172.db2.gz UJDFXYOPOKQNCK-SMDDNHRTSA-N 1 1 298.408 3.292 20 5 CGBDMO C[C@H]1[C@@H](C)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000419373623 380820022 /nfs/dbraw/zinc/82/00/22/380820022.db2.gz OMRVRSURJGKQCD-GMTAPVOTSA-N 1 1 289.335 3.212 20 5 CGBDMO CC(C)[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCC1 ZINC000740886333 572466299 /nfs/dbraw/zinc/46/62/99/572466299.db2.gz MLPIAUZLJDOBHI-UHFFFAOYSA-N 1 1 266.316 3.497 20 5 CGBDMO COc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000362315823 381940272 /nfs/dbraw/zinc/94/02/72/381940272.db2.gz IOKFHZGORGQTFL-QWRGUYRKSA-N 1 1 296.342 3.363 20 5 CGBDMO COc1cc(C[N@@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000362325588 381943343 /nfs/dbraw/zinc/94/33/43/381943343.db2.gz SYEONKBQGWGHSF-UHFFFAOYSA-N 1 1 296.342 3.365 20 5 CGBDMO COc1cc(C[N@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000362325588 381943349 /nfs/dbraw/zinc/94/33/49/381943349.db2.gz SYEONKBQGWGHSF-UHFFFAOYSA-N 1 1 296.342 3.365 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000246206139 285113462 /nfs/dbraw/zinc/11/34/62/285113462.db2.gz XQFROQMSQXWZHZ-HUUCEWRRSA-N 1 1 292.404 3.455 20 5 CGBDMO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCOC(C)(C)C1 ZINC000289369613 197315498 /nfs/dbraw/zinc/31/54/98/197315498.db2.gz BBUMRSZVMMFAGT-GFCCVEGCSA-N 1 1 298.408 3.436 20 5 CGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000353819814 220348311 /nfs/dbraw/zinc/34/83/11/220348311.db2.gz UYBYWGIPTBBLTP-LSDHHAIUSA-N 1 1 292.379 3.230 20 5 CGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1sccc1[N+](=O)[O-] ZINC000302003281 542414056 /nfs/dbraw/zinc/41/40/56/542414056.db2.gz TXABPAOYWWMXBC-GHMZBOCLSA-N 1 1 283.397 3.189 20 5 CGBDMO C[N@@H+](CCc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000055022859 392095284 /nfs/dbraw/zinc/09/52/84/392095284.db2.gz XVYGJBMHCRYOHD-UHFFFAOYSA-N 1 1 288.322 3.408 20 5 CGBDMO CCOC[C@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247020320 131099310 /nfs/dbraw/zinc/09/93/10/131099310.db2.gz QKJCVNWISIWJTC-KGLIPLIRSA-N 1 1 292.379 3.404 20 5 CGBDMO COc1cc(C[NH+]2CCC(C)(C)CC2)c([N+](=O)[O-])cc1F ZINC000361912523 392360853 /nfs/dbraw/zinc/36/08/53/392360853.db2.gz CZHOTYLPXAUGIZ-UHFFFAOYSA-N 1 1 296.342 3.365 20 5 CGBDMO C[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000263725390 131316628 /nfs/dbraw/zinc/31/66/28/131316628.db2.gz DEYBHQNHZIHVFO-CYBMUJFWSA-N 1 1 292.379 3.110 20 5 CGBDMO C[C@@H]1SCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000132538237 392460229 /nfs/dbraw/zinc/46/02/29/392460229.db2.gz DIMXVYRTBANLND-UWVGGRQHSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@@H]1SCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000132538237 392460238 /nfs/dbraw/zinc/46/02/38/392460238.db2.gz DIMXVYRTBANLND-UWVGGRQHSA-N 1 1 284.356 3.060 20 5 CGBDMO CC[C@@H](C)C[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000509384000 392747324 /nfs/dbraw/zinc/74/73/24/392747324.db2.gz CYXJLQUQGKNOPA-LLVKDONJSA-N 1 1 250.342 3.381 20 5 CGBDMO CCC(C)(C)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509391357 392748187 /nfs/dbraw/zinc/74/81/87/392748187.db2.gz XXJLNDMPVYIHIM-UHFFFAOYSA-N 1 1 272.295 3.493 20 5 CGBDMO CCC(C)(C)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509391357 392748191 /nfs/dbraw/zinc/74/81/91/392748191.db2.gz XXJLNDMPVYIHIM-UHFFFAOYSA-N 1 1 272.295 3.493 20 5 CGBDMO CC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC(C)C ZINC000179301895 392696095 /nfs/dbraw/zinc/69/60/95/392696095.db2.gz KRBKSVINPIXVDJ-UHFFFAOYSA-N 1 1 296.367 3.090 20 5 CGBDMO CCC[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511136748 392830558 /nfs/dbraw/zinc/83/05/58/392830558.db2.gz KIZWSYONRIYXHI-LBPRGKRZSA-N 1 1 250.342 3.258 20 5 CGBDMO CC[C@@]1(C)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000468119310 393125355 /nfs/dbraw/zinc/12/53/55/393125355.db2.gz HJTMNUVGOFSBRF-HNNXBMFYSA-N 1 1 278.352 3.096 20 5 CGBDMO CC[C@]1(C)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000468119311 393125665 /nfs/dbraw/zinc/12/56/65/393125665.db2.gz HJTMNUVGOFSBRF-OAHLLOKOSA-N 1 1 278.352 3.096 20 5 CGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000481390586 393437573 /nfs/dbraw/zinc/43/75/73/393437573.db2.gz ZCSFMZKYYSYYFS-ZWNOBZJWSA-N 1 1 296.342 3.363 20 5 CGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000430210681 393539106 /nfs/dbraw/zinc/53/91/06/393539106.db2.gz VBAYUEHHRPUHKJ-LLVKDONJSA-N 1 1 290.363 3.366 20 5 CGBDMO Cc1ccc(C[N@H+]2CC(C)=C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000430867558 393600865 /nfs/dbraw/zinc/60/08/65/393600865.db2.gz KWCZZGSWAXTVND-LLVKDONJSA-N 1 1 260.337 3.301 20 5 CGBDMO CC(C)C[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493876619 393774945 /nfs/dbraw/zinc/77/49/45/393774945.db2.gz WAZUSNQZIUZUGZ-UHFFFAOYSA-N 1 1 256.733 3.336 20 5 CGBDMO CC(C)C[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493876619 393774948 /nfs/dbraw/zinc/77/49/48/393774948.db2.gz WAZUSNQZIUZUGZ-UHFFFAOYSA-N 1 1 256.733 3.336 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000449527158 393884579 /nfs/dbraw/zinc/88/45/79/393884579.db2.gz GNLFITLPXSWYLJ-OAHLLOKOSA-N 1 1 292.404 3.231 20 5 CGBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c(F)c1 ZINC000449531647 393885136 /nfs/dbraw/zinc/88/51/36/393885136.db2.gz BYIYLSHUHCZUEW-HOCLYGCPSA-N 1 1 290.338 3.354 20 5 CGBDMO CO[C@H]1C[C@@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000449636833 393931968 /nfs/dbraw/zinc/93/19/68/393931968.db2.gz XFRYUMDDKYCZJN-NEPJUHHUSA-N 1 1 296.392 3.046 20 5 CGBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000449636833 393931973 /nfs/dbraw/zinc/93/19/73/393931973.db2.gz XFRYUMDDKYCZJN-NEPJUHHUSA-N 1 1 296.392 3.046 20 5 CGBDMO CCCc1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)o1 ZINC000449614041 393920830 /nfs/dbraw/zinc/92/08/30/393920830.db2.gz UITUQOTVEOAWPR-UHFFFAOYSA-N 1 1 289.335 3.134 20 5 CGBDMO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000089512685 165208297 /nfs/dbraw/zinc/20/82/97/165208297.db2.gz CPDKCEUGRLABPY-GFCCVEGCSA-N 1 1 288.351 3.223 20 5 CGBDMO Cc1noc(C)c1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000091437032 165264141 /nfs/dbraw/zinc/26/41/41/165264141.db2.gz OCGWYQDPFXDISN-VIFPVBQESA-N 1 1 275.308 3.050 20 5 CGBDMO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000092406979 165293880 /nfs/dbraw/zinc/29/38/80/165293880.db2.gz JGIYKVRDQFAIPB-PXTSUWAFSA-N 1 1 290.363 3.109 20 5 CGBDMO C[C@H](c1cccnc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285236576 196229133 /nfs/dbraw/zinc/22/91/33/196229133.db2.gz GHEXXECXIMTRRW-CYBMUJFWSA-N 1 1 285.347 3.225 20 5 CGBDMO CCN1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000038098009 174112496 /nfs/dbraw/zinc/11/24/96/174112496.db2.gz OJCUOIOSZFGUGM-ZDUSSCGKSA-N 1 1 291.395 3.038 20 5 CGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000354790542 227111049 /nfs/dbraw/zinc/11/10/49/227111049.db2.gz LHGQSJYKBKFBCQ-INIZCTEOSA-N 1 1 292.379 3.150 20 5 CGBDMO CC(C)C[C@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000037177168 270028970 /nfs/dbraw/zinc/02/89/70/270028970.db2.gz QBQQUHROVUHXNY-CZUORRHYSA-N 1 1 293.411 3.222 20 5 CGBDMO C[C@H](C1CC1)[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000042123216 270031766 /nfs/dbraw/zinc/03/17/66/270031766.db2.gz BMABQYDVDKUOJK-LLVKDONJSA-N 1 1 260.337 3.358 20 5 CGBDMO C[C@H]1CCC[N@@H+](CCNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000107681092 270049944 /nfs/dbraw/zinc/04/99/44/270049944.db2.gz MHLRPCHNLDSRRL-NSHDSACASA-N 1 1 297.786 3.392 20 5 CGBDMO CC(C)OC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000530926374 270204150 /nfs/dbraw/zinc/20/41/50/270204150.db2.gz XAKBCVKUSQVXLS-UHFFFAOYSA-N 1 1 284.381 3.046 20 5 CGBDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444688865 274206058 /nfs/dbraw/zinc/20/60/58/274206058.db2.gz LDCQRXLPDOKFJO-JTQLQIEISA-N 1 1 288.351 3.092 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000419372322 274352829 /nfs/dbraw/zinc/35/28/29/274352829.db2.gz MDEXZBBEFSAEQE-VWYCJHECSA-N 1 1 266.316 3.210 20 5 CGBDMO COCC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000470179088 277214121 /nfs/dbraw/zinc/21/41/21/277214121.db2.gz SAGMGGZPYOFRPL-RAXLEYEMSA-N 1 1 290.363 3.109 20 5 CGBDMO CC(C)O[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000566242876 322111168 /nfs/dbraw/zinc/11/11/68/322111168.db2.gz PJLKTRVWMYIURY-KEDPEKRHSA-N 1 1 290.363 3.107 20 5 CGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC000569668805 322253474 /nfs/dbraw/zinc/25/34/74/322253474.db2.gz CLUZTIPTZXCKRK-MRXNPFEDSA-N 1 1 297.358 3.022 20 5 CGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H]1CCCC1(F)F)C2 ZINC000573071078 322368582 /nfs/dbraw/zinc/36/85/82/322368582.db2.gz CJFVNTJCUIHANA-LBPRGKRZSA-N 1 1 296.317 3.388 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cs1 ZINC000576104531 335154647 /nfs/dbraw/zinc/15/46/47/335154647.db2.gz OWKXWGLFALESTJ-CHWSQXEVSA-N 1 1 296.392 3.047 20 5 CGBDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000382507488 336091861 /nfs/dbraw/zinc/09/18/61/336091861.db2.gz NDVWOKYTMZBQHG-GFCCVEGCSA-N 1 1 266.316 3.498 20 5 CGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)Cc1ccccn1 ZINC000094914067 521330808 /nfs/dbraw/zinc/33/08/08/521330808.db2.gz DIYWWBSOXMKUBJ-UHFFFAOYSA-N 1 1 289.310 3.151 20 5 CGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)Cc1ccccn1 ZINC000094914067 521330817 /nfs/dbraw/zinc/33/08/17/521330817.db2.gz DIYWWBSOXMKUBJ-UHFFFAOYSA-N 1 1 289.310 3.151 20 5 CGBDMO Cc1occc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000358009215 534582699 /nfs/dbraw/zinc/58/26/99/534582699.db2.gz CXLJJZILJYLLBE-SNVBAGLBSA-N 1 1 260.293 3.347 20 5 CGBDMO CC[C@@H](C)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083171440 521971853 /nfs/dbraw/zinc/97/18/53/521971853.db2.gz VWOXKYARKAKVFA-SNVBAGLBSA-N 1 1 277.324 3.214 20 5 CGBDMO CC[C@H](NCC1([NH+](C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000097928458 522573578 /nfs/dbraw/zinc/57/35/78/522573578.db2.gz CMXJUHAZYHGQRB-HNNXBMFYSA-N 1 1 291.395 3.120 20 5 CGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000183958412 524299457 /nfs/dbraw/zinc/29/94/57/524299457.db2.gz HELKNPCXFHISTM-LLVKDONJSA-N 1 1 291.376 3.287 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000052085755 618688145 /nfs/dbraw/zinc/68/81/45/618688145.db2.gz XNRBAHMTTSIIFQ-GFCCVEGCSA-N 1 1 288.351 3.024 20 5 CGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177521818 618826454 /nfs/dbraw/zinc/82/64/54/618826454.db2.gz ZQKSCGJCFQUPCC-TXEJJXNPSA-N 1 1 278.327 3.356 20 5 CGBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000311920991 618947349 /nfs/dbraw/zinc/94/73/49/618947349.db2.gz ULTUIUSCERLMMD-SNVBAGLBSA-N 1 1 285.775 3.389 20 5 CGBDMO C[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000925632603 619098014 /nfs/dbraw/zinc/09/80/14/619098014.db2.gz BHNFBSSTNDQYOW-RWMBFGLXSA-N 1 1 291.395 3.151 20 5 CGBDMO COc1c(O)ccc(C[N@@H+](C)C2(C)CCCC2)c1[N+](=O)[O-] ZINC000894105925 619375701 /nfs/dbraw/zinc/37/57/01/619375701.db2.gz UYRKZBFWFSLKCU-UHFFFAOYSA-N 1 1 294.351 3.074 20 5 CGBDMO C[C@@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000052085740 619390491 /nfs/dbraw/zinc/39/04/91/619390491.db2.gz SFJHJQDQYOVTEH-GFCCVEGCSA-N 1 1 288.351 3.024 20 5 CGBDMO CC[C@@H]([NH2+][C@H](C)c1cn(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000925232548 620254622 /nfs/dbraw/zinc/25/46/22/620254622.db2.gz XPURYTMHJAFNGV-BXUZGUMPSA-N 1 1 288.351 3.130 20 5 CGBDMO O=[N+]([O-])c1cccc(CNc2ccc(C3CC3)c[nH+]2)c1 ZINC000897711977 620422432 /nfs/dbraw/zinc/42/24/32/620422432.db2.gz JHEHUGUJPLQRPG-UHFFFAOYSA-N 1 1 269.304 3.479 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000228417058 623055322 /nfs/dbraw/zinc/05/53/22/623055322.db2.gz QRWVZYYKIVMVEW-AAEUAGOBSA-N 1 1 295.770 3.287 20 5 CGBDMO CCC[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154444826 624289523 /nfs/dbraw/zinc/28/95/23/624289523.db2.gz MHJAWTWHFMMSSM-BBRMVZONSA-N 1 1 292.379 3.140 20 5 CGBDMO CCC[N@@H+](CC1CCCCC1)Cn1nccc1[N+](=O)[O-] ZINC000918736618 624372690 /nfs/dbraw/zinc/37/26/90/624372690.db2.gz SVMYAIWNSIJESI-UHFFFAOYSA-N 1 1 280.372 3.041 20 5 CGBDMO C[N@@H+](CCC1CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000175514313 624642911 /nfs/dbraw/zinc/64/29/11/624642911.db2.gz CLELXVOWUITUEX-UHFFFAOYSA-N 1 1 268.744 3.480 20 5 CGBDMO C[N@H+](CCC(=O)C(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000753686745 626462191 /nfs/dbraw/zinc/46/21/91/626462191.db2.gz ZIDMPWCHBZDRRM-UHFFFAOYSA-N 1 1 278.352 3.032 20 5 CGBDMO C[N@@H+](CCC(=O)C(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000753686745 626462193 /nfs/dbraw/zinc/46/21/93/626462193.db2.gz ZIDMPWCHBZDRRM-UHFFFAOYSA-N 1 1 278.352 3.032 20 5 CGBDMO CC(C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000755994514 626667028 /nfs/dbraw/zinc/66/70/28/626667028.db2.gz HYRXRCFYSYYUQF-NSHDSACASA-N 1 1 266.316 3.212 20 5 CGBDMO CC[C@H](C)C[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764985858 627235042 /nfs/dbraw/zinc/23/50/42/627235042.db2.gz ANWLYVUCMUPTSE-NSHDSACASA-N 1 1 290.367 3.188 20 5 CGBDMO CC[C@@H](C)C[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764985857 627235299 /nfs/dbraw/zinc/23/52/99/627235299.db2.gz ANWLYVUCMUPTSE-LLVKDONJSA-N 1 1 290.367 3.188 20 5 CGBDMO CC[C@H]([NH2+]Cc1cccc(F)n1)c1cccc([N+](=O)[O-])c1 ZINC000773095026 627855749 /nfs/dbraw/zinc/85/57/49/627855749.db2.gz JUCNVWJHECSZHF-AWEZNQCLSA-N 1 1 289.310 3.370 20 5 CGBDMO CC(C)C[N@@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777955177 628313940 /nfs/dbraw/zinc/31/39/40/628313940.db2.gz VMCSJCONKUKTMC-UHFFFAOYSA-N 1 1 288.351 3.004 20 5 CGBDMO CCCC[N@@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777951943 628314187 /nfs/dbraw/zinc/31/41/87/628314187.db2.gz NYSNQVFAOPICBU-UHFFFAOYSA-N 1 1 288.351 3.148 20 5 CGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792865904 629388041 /nfs/dbraw/zinc/38/80/41/629388041.db2.gz CYOROTFKAOSBEH-PHIMTYICSA-N 1 1 293.323 3.266 20 5 CGBDMO CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1CCC1 ZINC000796532731 629796850 /nfs/dbraw/zinc/79/68/50/629796850.db2.gz FUNBTKKULHJVOA-UHFFFAOYSA-N 1 1 266.316 3.356 20 5 CGBDMO CC1=C[C@@H](C)C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000797526048 629956763 /nfs/dbraw/zinc/95/67/63/629956763.db2.gz HNKQEJJCZRZJCO-SNVBAGLBSA-N 1 1 264.300 3.132 20 5 CGBDMO CC1=C[C@@H](C)C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000797526048 629956764 /nfs/dbraw/zinc/95/67/64/629956764.db2.gz HNKQEJJCZRZJCO-SNVBAGLBSA-N 1 1 264.300 3.132 20 5 CGBDMO CC(C)OC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801516365 630340707 /nfs/dbraw/zinc/34/07/07/630340707.db2.gz DSKFYGVAWQLQCN-UHFFFAOYSA-N 1 1 296.342 3.123 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CC(C3CC3)C2)c1 ZINC000812775043 631305694 /nfs/dbraw/zinc/30/56/94/631305694.db2.gz DBLZZOOAEVGCMI-UHFFFAOYSA-N 1 1 266.728 3.090 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H]2C2CC2)c1 ZINC000824649091 633267557 /nfs/dbraw/zinc/26/75/57/633267557.db2.gz BDNDZPSENJDKCO-CYBMUJFWSA-N 1 1 266.728 3.233 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H]2C2CC2)c1 ZINC000824649091 633267562 /nfs/dbraw/zinc/26/75/62/633267562.db2.gz BDNDZPSENJDKCO-CYBMUJFWSA-N 1 1 266.728 3.233 20 5 CGBDMO Cc1cc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])ccn1 ZINC000872074820 633998176 /nfs/dbraw/zinc/99/81/76/633998176.db2.gz ILQXALUYZCPSDG-LLVKDONJSA-N 1 1 289.310 3.288 20 5 CGBDMO C[C@@H]1OCC[C@H]1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000878208002 635414326 /nfs/dbraw/zinc/41/43/26/635414326.db2.gz OZFUBCCOWANEOH-QWRGUYRKSA-N 1 1 298.770 3.105 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000880293420 635966352 /nfs/dbraw/zinc/96/63/52/635966352.db2.gz KGUZACXCJAIBSF-VIFPVBQESA-N 1 1 272.707 3.040 20 5 CGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](CF)C1 ZINC000880293420 635966356 /nfs/dbraw/zinc/96/63/56/635966356.db2.gz KGUZACXCJAIBSF-VIFPVBQESA-N 1 1 272.707 3.040 20 5 CGBDMO CC[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000135191200 637095814 /nfs/dbraw/zinc/09/58/14/637095814.db2.gz SYUBPJCEXWRDRL-SNVBAGLBSA-N 1 1 268.744 3.480 20 5 CGBDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886038574 637379534 /nfs/dbraw/zinc/37/95/34/637379534.db2.gz YUZPGUWHYGKISJ-BBRMVZONSA-N 1 1 297.358 3.368 20 5 CGBDMO Cc1coc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000886057791 637392599 /nfs/dbraw/zinc/39/25/99/637392599.db2.gz XNPJCGRLCQCPOY-LLVKDONJSA-N 1 1 260.293 3.347 20 5 CGBDMO CCC(CC)C[N@@H+](CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136934713 637411324 /nfs/dbraw/zinc/41/13/24/637411324.db2.gz YFDDWDXFJRSADJ-MRXNPFEDSA-N 1 1 294.395 3.386 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000886123266 637425076 /nfs/dbraw/zinc/42/50/76/637425076.db2.gz VOQILBSZPQSXSE-XBFCOCLRSA-N 1 1 275.352 3.000 20 5 CGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568262 637584535 /nfs/dbraw/zinc/58/45/35/637584535.db2.gz DZFGSCBONWWISA-UPJWGTAASA-N 1 1 292.404 3.259 20 5 CGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886834612 637712153 /nfs/dbraw/zinc/71/21/53/637712153.db2.gz AYCLVFYJPIILCT-INWMFGNUSA-N 1 1 290.363 3.157 20 5 CGBDMO C[C@H]1CSCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000934301101 639576217 /nfs/dbraw/zinc/57/62/17/639576217.db2.gz SUAFXQSDVNOMEV-JTQLQIEISA-N 1 1 284.356 3.061 20 5 CGBDMO CC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774322 640802363 /nfs/dbraw/zinc/80/23/63/640802363.db2.gz BDBSEWYQLXOHMR-NSHDSACASA-N 1 1 266.316 3.356 20 5 CGBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)S1 ZINC000094774873 640802431 /nfs/dbraw/zinc/80/24/31/640802431.db2.gz DYOMWVYDYKQTSM-AOOOYVTPSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)S1 ZINC000094774873 640802434 /nfs/dbraw/zinc/80/24/34/640802434.db2.gz DYOMWVYDYKQTSM-AOOOYVTPSA-N 1 1 284.356 3.060 20 5 CGBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000253069735 640870126 /nfs/dbraw/zinc/87/01/26/640870126.db2.gz LVZUVPVLASAYGZ-WDEREUQCSA-N 1 1 266.316 3.212 20 5 CGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)C[C@H]1CF ZINC001254551677 806447715 /nfs/dbraw/zinc/44/77/15/806447715.db2.gz CXAMTYIQMXESND-OBJOEFQTSA-N 1 1 280.343 3.206 20 5 CGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](C)(F)C1 ZINC001254553776 806449653 /nfs/dbraw/zinc/44/96/53/806449653.db2.gz YXXCTCVPKRZBLI-DOMZBBRYSA-N 1 1 280.343 3.350 20 5 CGBDMO CC[C@H]1CCC[N@H+]1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254562420 806451681 /nfs/dbraw/zinc/45/16/81/806451681.db2.gz MFHTYBQNZZPVPW-OCCSQVGLSA-N 1 1 262.353 3.400 20 5 CGBDMO Cc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)sn1 ZINC000404406531 799575482 /nfs/dbraw/zinc/57/54/82/799575482.db2.gz VIQFPVPVDBKWTC-UHFFFAOYSA-N 1 1 297.767 3.303 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](CF)C2)ccc1Cl ZINC000711470098 800061626 /nfs/dbraw/zinc/06/16/26/800061626.db2.gz KOBRBZMVMDIPLZ-NSHDSACASA-N 1 1 286.734 3.430 20 5 CGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](CF)C2)ccc1Cl ZINC000711470098 800061634 /nfs/dbraw/zinc/06/16/34/800061634.db2.gz KOBRBZMVMDIPLZ-NSHDSACASA-N 1 1 286.734 3.430 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](CF)C2)c1 ZINC000711477150 800062480 /nfs/dbraw/zinc/06/24/80/800062480.db2.gz PJGMSPWSPYVONN-VIFPVBQESA-N 1 1 272.707 3.040 20 5 CGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H](CF)C2)c1 ZINC000711477150 800062486 /nfs/dbraw/zinc/06/24/86/800062486.db2.gz PJGMSPWSPYVONN-VIFPVBQESA-N 1 1 272.707 3.040 20 5 CGBDMO C[N@H+]1CC[C@H](Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001167280902 807175195 /nfs/dbraw/zinc/17/51/95/807175195.db2.gz HOUPQGKGGOICOF-INIZCTEOSA-N 1 1 297.358 3.378 20 5 CGBDMO CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006632 807549948 /nfs/dbraw/zinc/54/99/48/807549948.db2.gz IRORUWUFPFJPRY-HZPDHXFCSA-N 1 1 276.380 3.342 20 5 CGBDMO C[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169024368 807554861 /nfs/dbraw/zinc/55/48/61/807554861.db2.gz GUMXMFVERYLCAD-GXTWGEPZSA-N 1 1 282.771 3.217 20 5 CGBDMO CCc1ccc(C[N@@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169035150 807556119 /nfs/dbraw/zinc/55/61/19/807556119.db2.gz AQKGONSJGDPHFB-HOTGVXAUSA-N 1 1 276.380 3.126 20 5 CGBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001169035853 807556177 /nfs/dbraw/zinc/55/61/77/807556177.db2.gz DIXKBVLSHHDXGY-HOCLYGCPSA-N 1 1 274.364 3.096 20 5 CGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCC3(CC(F)C3)CC2)C1 ZINC001169039930 807556905 /nfs/dbraw/zinc/55/69/05/807556905.db2.gz VYHKMYKJFFAKGX-FEWQNLEASA-N 1 1 284.375 3.036 20 5 CGBDMO CC[N@@H+](Cc1ccccc1F)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038974 807557552 /nfs/dbraw/zinc/55/75/52/807557552.db2.gz LZSPKMHZQDZTGI-GXTWGEPZSA-N 1 1 280.343 3.093 20 5 CGBDMO CC[C@@H](C)[N@@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170334767 807826214 /nfs/dbraw/zinc/82/62/14/807826214.db2.gz IFCCQOFJNFSNEI-VXGBXAGGSA-N 1 1 280.368 3.265 20 5 CGBDMO C[N@@H+](CCCC(F)(F)F)CCc1cccc([N+](=O)[O-])c1 ZINC001262366554 807857707 /nfs/dbraw/zinc/85/77/07/807857707.db2.gz LSNHHMJPZICAMP-UHFFFAOYSA-N 1 1 290.285 3.412 20 5 CGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@H]3CCCC[C@H]32)cc1 ZINC001171756744 808131459 /nfs/dbraw/zinc/13/14/59/808131459.db2.gz RMXRCSXPUGHZOI-CZUORRHYSA-N 1 1 290.363 3.238 20 5 CGBDMO CO[C@@H]1CCC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173232463 808542567 /nfs/dbraw/zinc/54/25/67/808542567.db2.gz GVBHFNVABYTPIB-CZUORRHYSA-N 1 1 292.379 3.027 20 5 CGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001173232295 808542681 /nfs/dbraw/zinc/54/26/81/808542681.db2.gz DRCWQJHKGGBPAH-OSAQELSMSA-N 1 1 260.337 3.010 20 5 CGBDMO CC(C)O[C@H]1CC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173234814 808544214 /nfs/dbraw/zinc/54/42/14/808544214.db2.gz UFHCMCATYQQXLA-BBRMVZONSA-N 1 1 292.379 3.025 20 5 CGBDMO Cn1c[nH+]c2cccc(Nc3ccc([N+](=O)[O-])cc3)c21 ZINC001174480297 809035029 /nfs/dbraw/zinc/03/50/29/809035029.db2.gz RXTLUCYVFWJUIH-UHFFFAOYSA-N 1 1 268.276 3.225 20 5 CGBDMO O=[N+]([O-])/C=C/c1ccc(Nc2c[nH+]c3ccccn23)cc1 ZINC001175899406 809567250 /nfs/dbraw/zinc/56/72/50/809567250.db2.gz STEXHHTXCNUGTC-CSKARUKUSA-N 1 1 280.287 3.325 20 5 CGBDMO CSc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001177416191 809797424 /nfs/dbraw/zinc/79/74/24/809797424.db2.gz LEAIAVHOWMJTPS-UHFFFAOYSA-N 1 1 278.333 3.200 20 5 CGBDMO Cc1cc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])s1 ZINC001186871937 810367481 /nfs/dbraw/zinc/36/74/81/810367481.db2.gz DYCVVUAUFGYWNQ-AAEUAGOBSA-N 1 1 295.408 3.394 20 5 CGBDMO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001186873348 810368334 /nfs/dbraw/zinc/36/83/34/810368334.db2.gz WILKGKMOEKLHBY-TZMCWYRMSA-N 1 1 293.342 3.163 20 5 CGBDMO CCc1ccc(C)[nH+]c1Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001209932237 814203177 /nfs/dbraw/zinc/20/31/77/814203177.db2.gz KLYHEILSAAPNOE-UHFFFAOYSA-N 1 1 272.308 3.186 20 5 CGBDMO Cc1ccc(O[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001226953120 817516109 /nfs/dbraw/zinc/51/61/09/817516109.db2.gz SCJDPPJQYLTPFA-AWEZNQCLSA-N 1 1 278.352 3.155 20 5 CGBDMO C[N@H+]1CCC[C@H](Oc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001228002933 817780760 /nfs/dbraw/zinc/78/07/60/817780760.db2.gz SYBQATRSDLICET-JTQLQIEISA-N 1 1 284.743 3.111 20 5 CGBDMO