smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ncc(CN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001042705172 751852400 /nfs/dbraw/zinc/85/24/00/751852400.db2.gz KKEVVXVKXZHLOD-VXGBXAGGSA-N 0 1 310.379 0.759 20 5 DCBDMN Cc1ccnc(NCC=CCNC(=O)c2ncn[nH]2)c1[N+](=O)[O-] ZINC001107287257 751989114 /nfs/dbraw/zinc/98/91/14/751989114.db2.gz ONWCJBLEOKNJFE-IHWYPQMZSA-N 0 1 317.309 0.814 20 5 DCBDMN Cc1ccnc(NCC=CCNC(=O)c2nc[nH]n2)c1[N+](=O)[O-] ZINC001107287257 751989118 /nfs/dbraw/zinc/98/91/18/751989118.db2.gz ONWCJBLEOKNJFE-IHWYPQMZSA-N 0 1 317.309 0.814 20 5 DCBDMN O=C(N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1cnn[nH]1 ZINC001059880382 749670156 /nfs/dbraw/zinc/67/01/56/749670156.db2.gz GIHSHVZWGFYYKN-OCAPTIKFSA-N 0 1 303.282 0.481 20 5 DCBDMN CCC1(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)CC1 ZINC001064410376 755396206 /nfs/dbraw/zinc/39/62/06/755396206.db2.gz DXNSLGGMVPDHFP-GHMZBOCLSA-N 0 1 309.366 0.997 20 5 DCBDMN O=C1NC(=O)[C@H](Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])S1 ZINC001155841827 760203227 /nfs/dbraw/zinc/20/32/27/760203227.db2.gz IBZMXIFMBULJQM-SSDOTTSWSA-N 0 1 304.671 0.603 20 5 DCBDMN NCc1nnnn1-c1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001168919949 760512895 /nfs/dbraw/zinc/51/28/95/760512895.db2.gz DGGFGOYGIZYKDZ-UHFFFAOYSA-N 0 1 314.265 0.612 20 5 DCBDMN C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001123678806 768043442 /nfs/dbraw/zinc/04/34/42/768043442.db2.gz XGXXSZYSUDURSL-BXKDBHETSA-N 0 1 306.322 0.627 20 5 DCBDMN CN(CCNC(=O)Cc1cnc[nH]1)c1ncc([N+](=O)[O-])cc1F ZINC001100354072 763515104 /nfs/dbraw/zinc/51/51/04/763515104.db2.gz HKQNVVWVIMBCDJ-UHFFFAOYSA-N 0 1 322.300 0.647 20 5 DCBDMN CCN(CCNC(=O)c1ncn[nH]1)c1nc(C)ccc1[N+](=O)[O-] ZINC001100584586 763668166 /nfs/dbraw/zinc/66/81/66/763668166.db2.gz IYFIMUKXCLTMEY-UHFFFAOYSA-N 0 1 319.325 0.673 20 5 DCBDMN CCN(CCNC(=O)c1nc[nH]n1)c1nc(C)ccc1[N+](=O)[O-] ZINC001100584586 763668172 /nfs/dbraw/zinc/66/81/72/763668172.db2.gz IYFIMUKXCLTMEY-UHFFFAOYSA-N 0 1 319.325 0.673 20 5 DCBDMN CN(CCNc1ncc([N+](=O)[O-])cc1F)C(=O)Cc1ncn[nH]1 ZINC001101771748 764312444 /nfs/dbraw/zinc/31/24/44/764312444.db2.gz BGAPVVPBCSQUJX-UHFFFAOYSA-N 0 1 323.288 0.360 20 5 DCBDMN CN(CCNc1ccc(F)cc1[N+](=O)[O-])C(=O)Cc1ncn[nH]1 ZINC001101771832 764314250 /nfs/dbraw/zinc/31/42/50/764314250.db2.gz FTSNHDUHDDOJQF-UHFFFAOYSA-N 0 1 322.300 0.965 20 5 DCBDMN CN(C)c1ccnc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC001133800334 765149805 /nfs/dbraw/zinc/14/98/05/765149805.db2.gz KJADKOFXIVLXFY-UHFFFAOYSA-N 0 1 304.310 0.719 20 5 DCBDMN Cn1cc([C@H]2C[C@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)cn1 ZINC001117723530 766134169 /nfs/dbraw/zinc/13/41/69/766134169.db2.gz GGEWVFUOYMTPHJ-MWLCHTKSSA-N 0 1 320.309 0.702 20 5 DCBDMN COC[C@H]1CNCCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC001122330690 767772752 /nfs/dbraw/zinc/77/27/52/767772752.db2.gz GWZOCQWYEBODIV-CYBMUJFWSA-N 0 1 307.350 0.893 20 5 DCBDMN Cc1cnc(NCCNC(=O)Cc2nnc[nH]2)c([N+](=O)[O-])c1 ZINC001093852183 768748050 /nfs/dbraw/zinc/74/80/50/768748050.db2.gz ZUXAWJDQPONEMP-UHFFFAOYSA-N 0 1 305.298 0.187 20 5 DCBDMN Cc1ccc([N+](=O)[O-])c(NCCNC(=O)Cc2nnc[nH]2)c1 ZINC001093852531 768748946 /nfs/dbraw/zinc/74/89/46/768748946.db2.gz NJXSVONZBLAVLL-UHFFFAOYSA-N 0 1 304.310 0.792 20 5 DCBDMN NC(=O)c1ccc2nc(=O)[nH]c(O[C@@H](C[N+](=O)[O-])C3CC3)c2c1 ZINC001234518826 769682474 /nfs/dbraw/zinc/68/24/74/769682474.db2.gz NODKDGAFGGIQNJ-NSHDSACASA-N 0 1 318.289 0.868 20 5 DCBDMN CNC(=O)NC[C@H]1CCCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC001175362509 769889781 /nfs/dbraw/zinc/88/97/81/769889781.db2.gz WAFSBKQKKJUDOE-GFCCVEGCSA-N 0 1 324.385 0.883 20 5 DCBDMN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC1(c2nn[nH]n2)CCC1 ZINC001153871281 769977765 /nfs/dbraw/zinc/97/77/65/769977765.db2.gz DELHKMLLHJWSQJ-UHFFFAOYSA-N 0 1 320.284 0.985 20 5 DCBDMN Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCCNC(=O)C(F)(F)F ZINC001156204025 770747571 /nfs/dbraw/zinc/74/75/71/770747571.db2.gz YGRLXGJHIFNQNA-UHFFFAOYSA-N 0 1 308.216 0.627 20 5 DCBDMN CNS(=O)(=O)CCCNCc1ccc([N+](=O)[O-])cc1F ZINC001183248168 771627871 /nfs/dbraw/zinc/62/78/71/771627871.db2.gz MJZHPYAQUFWCCY-UHFFFAOYSA-N 0 1 305.331 0.763 20 5 DCBDMN NCc1nnnn1-c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001158080668 771722787 /nfs/dbraw/zinc/72/27/87/771722787.db2.gz TUTVZRVFIOZMDJ-UHFFFAOYSA-N 0 1 316.256 0.625 20 5 DCBDMN C[C@@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1=NN(C)CC1=O ZINC001158307430 771756706 /nfs/dbraw/zinc/75/67/06/771756706.db2.gz PAPGOZHVHAWRKF-AMIZOPFISA-N 0 1 320.305 0.945 20 5 DCBDMN Cc1c[n+]([O-])c(NCc2noc3c2CNCC3)cc1[N+](=O)[O-] ZINC001163126309 772468289 /nfs/dbraw/zinc/46/82/89/772468289.db2.gz PXXLRMXZDLHRFL-UHFFFAOYSA-N 0 1 305.294 0.782 20 5 DCBDMN COCc1nn(-c2ccc([N+](=O)[O-])c(OC)n2)c2c1CNC2 ZINC001165631891 772751574 /nfs/dbraw/zinc/75/15/74/772751574.db2.gz JDYPLZCTUNUEBX-UHFFFAOYSA-N 0 1 305.294 0.934 20 5 DCBDMN O=[N+]([O-])c1cnn(CCN2CCC([C@H](O)c3ncc[nH]3)CC2)c1 ZINC001193536843 773073785 /nfs/dbraw/zinc/07/37/85/773073785.db2.gz PXFOQLFZYMOLOM-ZDUSSCGKSA-N 0 1 320.353 0.960 20 5 DCBDMN CCN(CCCNC(=O)c1ncn[nH]1)c1ccc([N+](=O)[O-])cn1 ZINC001095906503 776253002 /nfs/dbraw/zinc/25/30/02/776253002.db2.gz XWCFAONPQWJZQL-UHFFFAOYSA-N 0 1 319.325 0.754 20 5 DCBDMN CCN(CCCNC(=O)c1nc[nH]n1)c1ccc([N+](=O)[O-])cn1 ZINC001095906503 776253010 /nfs/dbraw/zinc/25/30/10/776253010.db2.gz XWCFAONPQWJZQL-UHFFFAOYSA-N 0 1 319.325 0.754 20 5 DCBDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1ccon1 ZINC001067041504 776716019 /nfs/dbraw/zinc/71/60/19/776716019.db2.gz UAXKPLCUEIFCQZ-VXGBXAGGSA-N 0 1 324.337 0.189 20 5 DCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cncc(F)c1 ZINC001268238110 940001469 /nfs/dbraw/zinc/00/14/69/940001469.db2.gz WXLPCZYFBYCGBB-CHWSQXEVSA-N 0 1 310.329 0.776 20 5 DCBDMN CCN(CCNC(=O)CC(C)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001356208069 941406462 /nfs/dbraw/zinc/40/64/62/941406462.db2.gz QTBIWCUSCNYGMX-RKDXNWHRSA-N 0 1 307.297 0.662 20 5 DCBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(N2CCN(C)CC2)C1 ZINC001321006905 946115271 /nfs/dbraw/zinc/11/52/71/946115271.db2.gz ZLQQIJAVZBRQLW-UHFFFAOYSA-N 0 1 319.365 0.370 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCc3c(nc[nH]c3=O)C2)c1[N+](=O)[O-] ZINC001321298102 946258166 /nfs/dbraw/zinc/25/81/66/946258166.db2.gz XIUSDOLIXWLRRZ-UHFFFAOYSA-N 0 1 304.266 0.320 20 5 DCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)NCC(F)(F)F ZINC001324592101 947469861 /nfs/dbraw/zinc/46/98/61/947469861.db2.gz RCTFMCCSTWHIBT-BYPYZUCNSA-N 0 1 309.204 0.115 20 5 DCBDMN Cn1cc(CN2CCC3(CC2)C[C@H](O)CCO3)c([N+](=O)[O-])n1 ZINC001262319817 947652814 /nfs/dbraw/zinc/65/28/14/947652814.db2.gz RDHIXYBQNUDQCD-GFCCVEGCSA-N 0 1 310.354 0.834 20 5 DCBDMN O=C(CCc1c[nH]nn1)NCCNc1ncc([N+](=O)[O-])cc1F ZINC001094129764 947778953 /nfs/dbraw/zinc/77/89/53/947778953.db2.gz KICGFWHXMAHRJN-UHFFFAOYSA-N 0 1 323.288 0.408 20 5 DCBDMN O=C(CCc1cnn[nH]1)NCCNc1ncc([N+](=O)[O-])cc1F ZINC001094129764 947778963 /nfs/dbraw/zinc/77/89/63/947778963.db2.gz KICGFWHXMAHRJN-UHFFFAOYSA-N 0 1 323.288 0.408 20 5 DCBDMN Cc1ccc([N+](=O)[O-])c(NCCNC(=O)Cc2cnc[nH]2)n1 ZINC001094150596 947791699 /nfs/dbraw/zinc/79/16/99/947791699.db2.gz QUKVBLRJDGPINN-UHFFFAOYSA-N 0 1 304.310 0.792 20 5 DCBDMN Cn1cc(CS(=O)(=O)Cc2cc(O)ccc2[N+](=O)[O-])nn1 ZINC001327234100 948431670 /nfs/dbraw/zinc/43/16/70/948431670.db2.gz JAYOOLAUTDNZHW-UHFFFAOYSA-N 0 1 312.307 0.544 20 5 DCBDMN O=C([O-])c1cnc(N2CC[N@@H+]3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001328607338 948986686 /nfs/dbraw/zinc/98/66/86/948986686.db2.gz ZBOWEAPRXNYRPC-SNVBAGLBSA-N 0 1 308.294 0.209 20 5 DCBDMN O=C([O-])c1cnc(N2CC[N@H+]3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001328607338 948986695 /nfs/dbraw/zinc/98/66/95/948986695.db2.gz ZBOWEAPRXNYRPC-SNVBAGLBSA-N 0 1 308.294 0.209 20 5 DCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC001329385354 949546159 /nfs/dbraw/zinc/54/61/59/949546159.db2.gz ZJLINHDKRCUKQX-JTQLQIEISA-N 0 1 319.325 0.624 20 5 DCBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1 ZINC001329579897 949696510 /nfs/dbraw/zinc/69/65/10/949696510.db2.gz QDTMGEVBCZECMU-JTQLQIEISA-N 0 1 311.342 0.572 20 5 DCBDMN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001334938028 952415778 /nfs/dbraw/zinc/41/57/78/952415778.db2.gz XYEPREWLDZZVIJ-PWSUYJOCSA-N 0 1 320.349 0.355 20 5 DCBDMN Cn1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCN2C2CCOCC2)n1 ZINC001344932872 953562013 /nfs/dbraw/zinc/56/20/13/953562013.db2.gz WPBCGEVPYLNJSB-NSHDSACASA-N 0 1 324.337 0.738 20 5 DCBDMN Cc1cnc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC001283004804 953904284 /nfs/dbraw/zinc/90/42/84/953904284.db2.gz JLAOUNUUIUMBEF-GHMZBOCLSA-N 0 1 306.322 0.210 20 5 DCBDMN O=C(CCc1cncc(F)c1)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001348934714 954540399 /nfs/dbraw/zinc/54/03/99/954540399.db2.gz SZXQTNKONWYWPT-VXGBXAGGSA-N 0 1 324.312 0.051 20 5 DCBDMN Cc1ccc(CNC(=O)[C@@H]2CN3CCN2C[C@@H]3C)cc1[N+](=O)[O-] ZINC001348992780 954557313 /nfs/dbraw/zinc/55/73/13/954557313.db2.gz JSYALCJSXTVORZ-WFASDCNBSA-N 0 1 318.377 0.908 20 5 DCBDMN Cc1ccc(CNC(=O)[C@@H]2CN3CCN2C[C@H]3C)cc1[N+](=O)[O-] ZINC001348992777 954557858 /nfs/dbraw/zinc/55/78/58/954557858.db2.gz JSYALCJSXTVORZ-DOMZBBRYSA-N 0 1 318.377 0.908 20 5 DCBDMN COC[C@H]1CNCCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001353392334 956044788 /nfs/dbraw/zinc/04/47/88/956044788.db2.gz LZRHZBHFWFUQSE-CQSZACIVSA-N 0 1 322.365 0.767 20 5 DCBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCNC[C@@H]1CO ZINC001354593584 956443705 /nfs/dbraw/zinc/44/37/05/956443705.db2.gz NAPFOCOXNFTEPS-SNVBAGLBSA-N 0 1 311.363 0.723 20 5 DCBDMN COc1cccc(C(=O)N(C)C)c1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001354913525 956549202 /nfs/dbraw/zinc/54/92/02/956549202.db2.gz NSPBFXJPBQBWOT-NXEZZACHSA-N 0 1 308.290 0.968 20 5 DCBDMN CCc1ocnc1C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001293212665 957314637 /nfs/dbraw/zinc/31/46/37/957314637.db2.gz YRCBRKCCYPWECW-RKDXNWHRSA-N 0 1 310.310 0.138 20 5 DCBDMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1nc(C)c[nH]1 ZINC001294449174 957531623 /nfs/dbraw/zinc/53/16/23/957531623.db2.gz UBKJAQPDSBNBCW-GHMZBOCLSA-N 0 1 323.353 0.352 20 5 DCBDMN Cc1ccc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001358648297 957541125 /nfs/dbraw/zinc/54/11/25/957541125.db2.gz QANSFYDCDANILN-VXGBXAGGSA-N 0 1 318.333 0.434 20 5 DCBDMN O=C(NCC1(NC(=O)C23CCC(CC2)C3)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001358661459 957553695 /nfs/dbraw/zinc/55/36/95/957553695.db2.gz RYQMMLQBOCRVSW-HFXYEQLZSA-N 0 1 321.377 0.997 20 5 DCBDMN CN(CCNC(=O)C1CC(F)(F)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296040337 957881514 /nfs/dbraw/zinc/88/15/14/957881514.db2.gz MCYLYYQMVUCVEH-RKDXNWHRSA-N 0 1 305.281 0.272 20 5 DCBDMN COCC1(CC(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001296064926 957892055 /nfs/dbraw/zinc/89/20/55/957892055.db2.gz LKYDVMHAFOCQKW-GHMZBOCLSA-N 0 1 313.354 0.043 20 5 DCBDMN Cc1ccc(F)c(C(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001296253803 957937166 /nfs/dbraw/zinc/93/71/66/957937166.db2.gz SPVKHADDPBWMFB-DGCLKSJQSA-N 0 1 323.324 0.988 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1occc1C ZINC001296300953 957951756 /nfs/dbraw/zinc/95/17/56/957951756.db2.gz NQDFEDIZNNNLLM-GHMZBOCLSA-N 0 1 309.322 0.832 20 5 DCBDMN Cn1nccc1[C@@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC001298002201 958380567 /nfs/dbraw/zinc/38/05/67/958380567.db2.gz VKZCCSWZYRHXFB-KCJUWKMLSA-N 0 1 320.309 0.702 20 5 DCBDMN O=C(CCC(F)(F)F)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001299141796 958849048 /nfs/dbraw/zinc/84/90/48/958849048.db2.gz VHSDQBPXHWLVMD-HTQZYQBOSA-N 0 1 323.271 0.759 20 5 DCBDMN Cc1cc(C(=O)NCCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC001492269782 959782835 /nfs/dbraw/zinc/78/28/35/959782835.db2.gz IDOZXSOXUIAVRH-NXEZZACHSA-N 0 1 310.310 0.227 20 5 DCBDMN C[C@](CO)(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001302424606 960025246 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0.171 20 5 DCBDMN Cn1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1C(N)=O ZINC000356360679 415906506 /nfs/dbraw/zinc/90/65/06/415906506.db2.gz MEWFTIUAKLGGAY-UHFFFAOYSA-N 0 1 304.262 0.990 20 5 DCBDMN O=C(NC[C@@H](O)COCC1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356637005 415966424 /nfs/dbraw/zinc/96/64/24/415966424.db2.gz SGENRPJFEFVKIQ-CYBMUJFWSA-N 0 1 310.306 0.818 20 5 DCBDMN O=[N+]([O-])c1cnc2ccc(N3CCN(CCCO)CC3)nn21 ZINC000301854163 416095288 /nfs/dbraw/zinc/09/52/88/416095288.db2.gz YERIVZPCJIJODP-UHFFFAOYSA-N 0 1 306.326 0.142 20 5 DCBDMN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCc1nn[nH]n1 ZINC000357778736 416129962 /nfs/dbraw/zinc/12/99/62/416129962.db2.gz IQEODQLZNQBARV-UHFFFAOYSA-N 0 1 319.306 0.647 20 5 DCBDMN O=C(NC[C@@H](O)COc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000535002377 416511315 /nfs/dbraw/zinc/51/13/15/416511315.db2.gz FSFSYMQIAMTWLP-SECBINFHSA-N 0 1 306.278 0.488 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)c1[N+](=O)[O-] ZINC000493930158 416644576 /nfs/dbraw/zinc/64/45/76/416644576.db2.gz MTZXVWURWQWXAZ-QMMMGPOBSA-N 0 1 323.309 0.718 20 5 DCBDMN CNc1cc2c(nn1)CCN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000610485106 416657344 /nfs/dbraw/zinc/65/73/44/416657344.db2.gz VANOSVBAXAIFLL-UHFFFAOYSA-N 0 1 303.326 0.681 20 5 DCBDMN O=C(NCc1cccc(N2CCC2=O)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000443039479 416727652 /nfs/dbraw/zinc/72/76/52/416727652.db2.gz BBZFTGYWOUGFKT-UHFFFAOYSA-N 0 1 315.289 0.985 20 5 DCBDMN CCCN(CC(N)=O)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000429159912 416950909 /nfs/dbraw/zinc/95/09/09/416950909.db2.gz FZXWGUNZHYGIKV-LLVKDONJSA-N 0 1 311.338 0.532 20 5 DCBDMN COc1ccc(NC(=O)C(=O)N2CCNC[C@@H]2C)cc1[N+](=O)[O-] ZINC000415341845 417368469 /nfs/dbraw/zinc/36/84/69/417368469.db2.gz HZFJTSUTNPLTLX-VIFPVBQESA-N 0 1 322.321 0.362 20 5 DCBDMN Cc1c(NC(=O)C(=O)N2CCNC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000415349513 417369928 /nfs/dbraw/zinc/36/99/28/417369928.db2.gz XPWYKPMGZXEQNN-VIFPVBQESA-N 0 1 306.322 0.662 20 5 DCBDMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H](C)[N@H+]1CCO ZINC000456227986 417638336 /nfs/dbraw/zinc/63/83/36/417638336.db2.gz QGUBFSDVTMEAJA-PHIMTYICSA-N 0 1 323.349 0.828 20 5 DCBDMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000456227986 417638341 /nfs/dbraw/zinc/63/83/41/417638341.db2.gz QGUBFSDVTMEAJA-PHIMTYICSA-N 0 1 323.349 0.828 20 5 DCBDMN Cc1cc(NC(=O)CN(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])no1 ZINC000299448655 229124209 /nfs/dbraw/zinc/12/42/09/229124209.db2.gz PPSLYZGZFRLRQD-UHFFFAOYSA-N 0 1 322.281 0.633 20 5 DCBDMN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]C2)s1 ZINC000237970518 261163734 /nfs/dbraw/zinc/16/37/34/261163734.db2.gz DZSFLJBDDDUSLZ-MRVPVSSYSA-N 0 1 305.381 0.934 20 5 DCBDMN Cc1[nH]nc(C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1[N+](=O)[O-] ZINC000354359388 261208749 /nfs/dbraw/zinc/20/87/49/261208749.db2.gz CBLXUIOYALGUPQ-SFYZADRCSA-N 0 1 318.355 0.520 20 5 DCBDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)CS(C)(=O)=O)c1[N+](=O)[O-] ZINC000362129654 262002384 /nfs/dbraw/zinc/00/23/84/262002384.db2.gz NEKNRAWMPMYEAG-SSDOTTSWSA-N 0 1 318.355 0.385 20 5 DCBDMN Cc1c(CC(=O)Nc2nn[nH]c2C(N)=O)cccc1[N+](=O)[O-] ZINC000362422109 262033861 /nfs/dbraw/zinc/03/38/61/262033861.db2.gz JLFXEHHNNFDBMD-UHFFFAOYSA-N 0 1 304.266 0.301 20 5 DCBDMN Cc1nn(C)c(N2CCN([C@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000363410468 262114396 /nfs/dbraw/zinc/11/43/96/262114396.db2.gz FTSHSPSJUIMFMA-NWDGAFQWSA-N 0 1 309.370 0.672 20 5 DCBDMN Cc1nn(C)c(N2CCN([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000363410470 262114530 /nfs/dbraw/zinc/11/45/30/262114530.db2.gz FTSHSPSJUIMFMA-RYUDHWBXSA-N 0 1 309.370 0.672 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCN3C(=O)OCC[C@H]3C2)c1[N+](=O)[O-] ZINC000495803097 272274031 /nfs/dbraw/zinc/27/40/31/272274031.db2.gz WFTASZGLKCDPTC-QMMMGPOBSA-N 0 1 323.309 0.547 20 5 DCBDMN O=C(NC1CC1)OC[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000495883667 272279707 /nfs/dbraw/zinc/27/97/07/272279707.db2.gz FACKMMVLGLBESL-QJPTWQEYSA-N 0 1 311.338 0.921 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000546698116 288026834 /nfs/dbraw/zinc/02/68/34/288026834.db2.gz UMDHVMXAPUJQDY-BDAKNGLRSA-N 0 1 312.326 0.257 20 5 DCBDMN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000547735358 288073876 /nfs/dbraw/zinc/07/38/76/288073876.db2.gz DSOBSRWEYWMMSU-UHFFFAOYSA-N 0 1 317.305 0.986 20 5 DCBDMN C[C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[NH2+]1 ZINC000575923000 341814786 /nfs/dbraw/zinc/81/47/86/341814786.db2.gz SDGVQNBNDPZGOZ-DTWKUNHWSA-N 0 1 300.340 0.409 20 5 DCBDMN C[C@H](C[S@](C)=O)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000183209406 524685327 /nfs/dbraw/zinc/68/53/27/524685327.db2.gz IZRWTCRZRSQIJZ-XJZHNMMOSA-N 0 1 324.355 0.779 20 5 DCBDMN C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1nnc[nH]1 ZINC000267231152 525199986 /nfs/dbraw/zinc/19/99/86/525199986.db2.gz PLWJDLOLMWRQMK-ZETCQYMHSA-N 0 1 319.277 0.975 20 5 DCBDMN C[C@H](O)CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000190890427 525747696 /nfs/dbraw/zinc/74/76/96/525747696.db2.gz MYWQEMXQBCABKV-UWVGGRQHSA-N 0 1 311.338 0.257 20 5 DCBDMN O=C(COc1ccccc1[N+](=O)[O-])NCCN1CCCOCC1 ZINC000189448082 526996781 /nfs/dbraw/zinc/99/67/81/526996781.db2.gz QOKQKXHMOYETEB-UHFFFAOYSA-N 0 1 323.349 0.812 20 5 DCBDMN O=C([O-])[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000819281494 597526949 /nfs/dbraw/zinc/52/69/49/597526949.db2.gz USGSDCCVEKXBLJ-JQWIXIFHSA-N 0 1 310.306 0.741 20 5 DCBDMN O=C(NCc1cccc(-c2nn[nH]n2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000826442699 608109669 /nfs/dbraw/zinc/10/96/69/608109669.db2.gz HGASRQHIIYMPMA-UHFFFAOYSA-N 0 1 314.265 0.428 20 5 DCBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC000973801861 659738904 /nfs/dbraw/zinc/73/89/04/659738904.db2.gz URDUKUDZPQVZAC-YVECIDJPSA-N 0 1 321.308 0.868 20 5 DCBDMN O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cc[nH]c1 ZINC000978794717 660602559 /nfs/dbraw/zinc/60/25/59/660602559.db2.gz JHEKGBFDOANOSX-SASUGWTJSA-N 0 1 306.322 0.305 20 5 DCBDMN O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CCCC1 ZINC000979388956 660731469 /nfs/dbraw/zinc/73/14/69/660731469.db2.gz JEHNOLQIBPBAEU-OJAKKHQRSA-N 0 1 309.366 0.853 20 5 DCBDMN Cc1ncc(CN2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000981137655 661084934 /nfs/dbraw/zinc/08/49/34/661084934.db2.gz CBJQRVRKHHHOHC-ZIAGYGMSSA-N 0 1 319.365 0.485 20 5 DCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(Cc2cnns2)CC1 ZINC000981138408 661085460 /nfs/dbraw/zinc/08/54/60/661085460.db2.gz QNHWPOMEBMXGJC-GHMZBOCLSA-N 0 1 311.367 0.238 20 5 DCBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1conc1C1CC1 ZINC000999360185 665631928 /nfs/dbraw/zinc/63/19/28/665631928.db2.gz NGNDCIFUIRIGIJ-MWLCHTKSSA-N 0 1 320.305 0.158 20 5 DCBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc(F)cn1 ZINC000974051240 659168439 /nfs/dbraw/zinc/16/84/39/659168439.db2.gz BQYFNRLOQVWXLP-DTHBNOIPSA-N 0 1 322.296 0.263 20 5 DCBDMN O=C(Cc1ccoc1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976483774 659350291 /nfs/dbraw/zinc/35/02/91/659350291.db2.gz NUBUFXFZWMQPPA-DIACKHNESA-N 0 1 319.317 0.060 20 5 DCBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cccs1 ZINC000973829097 659823361 /nfs/dbraw/zinc/82/33/61/659823361.db2.gz SGCWCLGOGSMQFS-UTINFBMNSA-N 0 1 309.347 0.790 20 5 DCBDMN Cn1ncc([N+](=O)[O-])c1N1CCN([C@@H]2CCNC(=O)CC2)CC1 ZINC000894110149 661490541 /nfs/dbraw/zinc/49/05/41/661490541.db2.gz BIJIEVRIXDKQLC-NSHDSACASA-N 0 1 322.369 0.119 20 5 DCBDMN CS(=O)(=O)CC[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839778634 668141441 /nfs/dbraw/zinc/14/14/41/668141441.db2.gz YGJXTXBPHJPISG-GMTAPVOTSA-N 0 1 304.368 0.467 20 5 DCBDMN Cc1ncsc1CN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042705206 662904448 /nfs/dbraw/zinc/90/44/48/662904448.db2.gz MEDSPVCXCOMPIP-GHMZBOCLSA-N 0 1 310.379 0.759 20 5 DCBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccccc1F ZINC001000697096 665912129 /nfs/dbraw/zinc/91/21/29/665912129.db2.gz FZMQZSOFCJJJOJ-DGCLKSJQSA-N 0 1 321.308 0.679 20 5 DCBDMN Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001000979637 665969995 /nfs/dbraw/zinc/96/99/95/665969995.db2.gz ZPQHGKJEQADQGW-CHWSQXEVSA-N 0 1 318.333 0.243 20 5 DCBDMN Cc1c(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000907695364 663712702 /nfs/dbraw/zinc/71/27/02/663712702.db2.gz KXJQDOCNECXHKA-IUODEOHRSA-N 0 1 307.350 0.975 20 5 DCBDMN Cc1c(CNC(=O)[C@@]2(C)C[C@@H](O)CN2C)cccc1[N+](=O)[O-] ZINC000907695364 663712703 /nfs/dbraw/zinc/71/27/03/663712703.db2.gz KXJQDOCNECXHKA-IUODEOHRSA-N 0 1 307.350 0.975 20 5 DCBDMN Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)oc1C ZINC000991281325 663933075 /nfs/dbraw/zinc/93/30/75/663933075.db2.gz SADMMWXJGYOESS-GHMZBOCLSA-N 0 1 307.306 0.502 20 5 DCBDMN O=C(CCc1cncs1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991287155 663945315 /nfs/dbraw/zinc/94/53/15/663945315.db2.gz PBXLOHKHANLUSG-GHMZBOCLSA-N 0 1 324.362 0.068 20 5 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318.337 0.816 20 5 DCBDMN CC(C)c1noc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001569400689 1161047394 /nfs/dbraw/zinc/04/73/94/1161047394.db2.gz VAOGKYHANXJUQO-NXEZZACHSA-N 0 1 323.353 0.597 20 5 DCBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)o1 ZINC001574871273 1163779966 /nfs/dbraw/zinc/77/99/66/1163779966.db2.gz DAUHFMDQYUBBEX-RNFRBKRXSA-N 0 1 301.686 0.444 20 5 DCBDMN CC(C)Cn1cc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001575139350 1163914367 /nfs/dbraw/zinc/91/43/67/1163914367.db2.gz DWTJICHKWRBMLB-VXGBXAGGSA-N 0 1 323.353 0.050 20 5 DCBDMN CN1CCOC[C@@H]1CNC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001578539638 1165051676 /nfs/dbraw/zinc/05/16/76/1165051676.db2.gz BXHBKHOISZWOMT-DZGCQCFKSA-N 0 1 322.365 0.216 20 5 DCBDMN O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001580708353 1165693442 /nfs/dbraw/zinc/69/34/42/1165693442.db2.gz MQDJFAIZYHAXJD-BXUZGUMPSA-N 0 1 306.322 0.957 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1CCOCC1 ZINC001581083063 1165785531 /nfs/dbraw/zinc/78/55/31/1165785531.db2.gz ZQEHLLRTKUVXOA-VXGBXAGGSA-N 0 1 313.354 0.043 20 5 DCBDMN CCN(CCNC(=O)C1(CF)CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001581201023 1165797615 /nfs/dbraw/zinc/79/76/15/1165797615.db2.gz MADYOBGBPPMGKM-GHMZBOCLSA-N 0 1 315.345 0.756 20 5 DCBDMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cncnc1 ZINC001581372936 1165818741 /nfs/dbraw/zinc/81/87/41/1165818741.db2.gz NVTSNJXZIJHHSY-VXGBXAGGSA-N 0 1 321.337 0.110 20 5 DCBDMN O=C(NCCN(C(=O)C1=CCOCC1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001581468305 1165832328 /nfs/dbraw/zinc/83/23/28/1165832328.db2.gz LXLCGJGYKHULBD-CHWSQXEVSA-N 0 1 323.349 0.106 20 5 DCBDMN Cc1coc(C(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001583310253 1166242772 /nfs/dbraw/zinc/24/27/72/1166242772.db2.gz DMANFVJJVQFQOQ-WUNPDAOYSA-N 0 1 307.306 0.655 20 5 DCBDMN C[C@@H](C(=O)N1CCCCC1)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001588957072 1166621281 /nfs/dbraw/zinc/62/12/81/1166621281.db2.gz QKNZDBCDVKEORQ-QMMMGPOBSA-N 0 1 320.313 0.545 20 5 DCBDMN C[C@H]1C[C@H](O)CN1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590213246 1166816254 /nfs/dbraw/zinc/81/62/54/1166816254.db2.gz CWEVBALGIUIPJI-IUCAKERBSA-N 0 1 304.310 0.730 20 5 DCBDMN CCCC[C@@H](C(=O)OC)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001590574114 1166947432 /nfs/dbraw/zinc/94/74/32/1166947432.db2.gz VDRDFFVOQSCZGR-ZETCQYMHSA-N 0 1 309.286 0.876 20 5 DCBDMN C[N@@H+]1CC[C@@](O)(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001591180670 1167133012 /nfs/dbraw/zinc/13/30/12/1167133012.db2.gz PBWSCHVBEAYUHT-CYBMUJFWSA-N 0 1 319.325 0.253 20 5 DCBDMN C[N@H+]1CC[C@@](O)(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001591180670 1167133017 /nfs/dbraw/zinc/13/30/17/1167133017.db2.gz PBWSCHVBEAYUHT-CYBMUJFWSA-N 0 1 319.325 0.253 20 5 DCBDMN C[N@@H+]1CC[C@@](O)(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001591180670 1167133018 /nfs/dbraw/zinc/13/30/18/1167133018.db2.gz PBWSCHVBEAYUHT-CYBMUJFWSA-N 0 1 319.325 0.253 20 5 DCBDMN C[N@H+]1CC[C@@](O)(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001591180670 1167133021 /nfs/dbraw/zinc/13/30/21/1167133021.db2.gz PBWSCHVBEAYUHT-CYBMUJFWSA-N 0 1 319.325 0.253 20 5 DCBDMN Cc1noc(CCCn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)n1 ZINC001592462305 1167533121 /nfs/dbraw/zinc/53/31/21/1167533121.db2.gz AUOGYQSCSUPJMP-UHFFFAOYSA-N 0 1 305.258 0.296 20 5 DCBDMN Cn1nc(Cn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)cc1Cl ZINC001606271982 1170143824 /nfs/dbraw/zinc/14/38/24/1170143824.db2.gz YUOUNMPGDSZEHY-UHFFFAOYSA-N 0 1 309.677 0.407 20 5 DCBDMN O=C(Nc1c[nH]nc1-c1nn[nH]n1)c1ccc([N+](=O)[O-])s1 ZINC001606946177 1170335526 /nfs/dbraw/zinc/33/55/26/1170335526.db2.gz XXXAYDVURBNLKK-UHFFFAOYSA-N 0 1 306.267 0.812 20 5 DCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](c2[nH]ncc2N)C1 ZINC001607296844 1170423946 /nfs/dbraw/zinc/42/39/46/1170423946.db2.gz UZQIVCKXRXEKLR-SECBINFHSA-N 0 1 319.325 0.421 20 5 DCBDMN Cc1c(C(=O)N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001607507380 1170469432 /nfs/dbraw/zinc/46/94/32/1170469432.db2.gz QAZWAKWDTUULBA-LLVKDONJSA-N 0 1 321.333 0.992 20 5 DCBDMN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1CN1C[C@H]2C[C@@]2(CO)C1 ZINC001609599873 1171039452 /nfs/dbraw/zinc/03/94/52/1171039452.db2.gz FTDFALQLUBBXJY-RISCZKNCSA-N 0 1 316.321 0.589 20 5 DCBDMN C[N@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H](C(=O)[O-])C1 ZINC001610132053 1171166532 /nfs/dbraw/zinc/16/65/32/1171166532.db2.gz BJBVXBPTFLUSSS-JTQLQIEISA-N 0 1 301.343 0.297 20 5 DCBDMN C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC001612950146 1171366606 /nfs/dbraw/zinc/36/66/06/1171366606.db2.gz GTWMTPXJHRVOSJ-GXSJLCMTSA-N 0 1 322.369 0.135 20 5 DCBDMN CN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@@H]1CN2CCC1CC2 ZINC001628115681 1171520079 /nfs/dbraw/zinc/52/00/79/1171520079.db2.gz RQDPINZCQOIASW-GFCCVEGCSA-N 0 1 305.338 0.738 20 5 DCBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)CCCc1nn[nH]n1 ZINC001632585733 1171620355 /nfs/dbraw/zinc/62/03/55/1171620355.db2.gz HSZGAYGCJQKFGO-UHFFFAOYSA-N 0 1 320.309 0.756 20 5 DCBDMN O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001633251039 1171636565 /nfs/dbraw/zinc/63/65/65/1171636565.db2.gz SAXNNSAUJIAUID-GRYCIOLGSA-N 0 1 301.306 0.870 20 5 DCBDMN O=C(NCCN=S1(=O)CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001639436011 1171836546 /nfs/dbraw/zinc/83/65/46/1171836546.db2.gz FJSKRYPJLSRWEL-UHFFFAOYSA-N 0 1 301.328 0.310 20 5 DCBDMN Cc1[nH]nc(C(=O)N2Cc3nc(C)[nH]c(=O)c3C2)c1[N+](=O)[O-] ZINC001641693319 1171925860 /nfs/dbraw/zinc/92/58/60/1171925860.db2.gz MNFCKHFKQIPNFP-UHFFFAOYSA-N 0 1 304.266 0.586 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](c3nnc(C)[nH]3)C2)c1[N+](=O)[O-] ZINC001642938774 1171960380 /nfs/dbraw/zinc/96/03/80/1171960380.db2.gz FDUYDHNFXNRTKY-QMMMGPOBSA-N 0 1 319.325 0.937 20 5 DCBDMN NC(=O)C[C@@H]1COCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001642973007 1171961751 /nfs/dbraw/zinc/96/17/51/1171961751.db2.gz JBAAZQORCZCSLR-SNVBAGLBSA-N 0 1 309.278 0.017 20 5 DCBDMN Cn1ncc2c1CCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC001643410163 1171974847 /nfs/dbraw/zinc/97/48/47/1171974847.db2.gz HKKPATDVXXUDHH-ZDUSSCGKSA-N 0 1 320.353 0.334 20 5 DCBDMN CCc1[nH]nc(C(=O)N2[C@H](C)CC[C@H](C(N)=O)[C@H]2C)c1[N+](=O)[O-] ZINC001643820368 1171985974 /nfs/dbraw/zinc/98/59/74/1171985974.db2.gz CTGKEAWYHSASQG-HLTSFMKQSA-N 0 1 323.353 0.995 20 5 DCBDMN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H](c2nn[nH]n2)C1 ZINC001644300547 1172004607 /nfs/dbraw/zinc/00/46/07/1172004607.db2.gz ZLENUEPPOQGSLJ-ZETCQYMHSA-N 0 1 306.257 0.877 20 5 DCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2c2nnc[nH]2)c1 ZINC001647861519 1173059582 /nfs/dbraw/zinc/05/95/82/1173059582.db2.gz ZPSZTPBDVDJTOP-MNOVXSKESA-N 0 1 307.314 0.107 20 5 DCBDMN O=C(NC[C@@H]1C[NH+]2CCC1CC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001648310488 1173071005 /nfs/dbraw/zinc/07/10/05/1173071005.db2.gz SSCLYPWUGQAMHK-LLVKDONJSA-N 0 1 306.322 0.767 20 5 DCBDMN CCCC1(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001649535305 1173165651 /nfs/dbraw/zinc/16/56/51/1173165651.db2.gz RIWGNVFKPLBBLE-GHMZBOCLSA-N 0 1 309.366 0.997 20 5 DCBDMN O=C(N[C@H]1CCS(=O)(=O)C2(CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001652398424 1173770445 /nfs/dbraw/zinc/77/04/45/1173770445.db2.gz ODYMCAAKRPIIKW-IVZWLZJFSA-N 0 1 302.352 0.268 20 5 DCBDMN C[C@](CO)(NCCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC001655318125 1173818019 /nfs/dbraw/zinc/81/80/19/1173818019.db2.gz RSAYVOCFNDCHIE-CYBMUJFWSA-N 0 1 316.379 0.827 20 5 DCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)CCNC(=O)C(F)(F)F ZINC001656240346 1173855132 /nfs/dbraw/zinc/85/51/32/1173855132.db2.gz RMHAGVDRFIXLGW-UHFFFAOYSA-N 0 1 308.216 0.737 20 5 DCBDMN Cc1nc(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001657274515 1173910834 /nfs/dbraw/zinc/91/08/34/1173910834.db2.gz JANVSXBRASKPHJ-UHFFFAOYSA-N 0 1 311.323 0.641 20 5 DCBDMN Cc1ccc(CNC[C@H](O)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC001658694825 1173924920 /nfs/dbraw/zinc/92/49/20/1173924920.db2.gz LHIAARLAICLIAW-NSHDSACASA-N 0 1 302.352 0.398 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccnc(OC)n1 ZINC001663381700 1174293297 /nfs/dbraw/zinc/29/32/97/1174293297.db2.gz NQBATEHSIGDHKT-VXGBXAGGSA-N 0 1 323.353 0.089 20 5 DCBDMN CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cnco1 ZINC001664101599 1174396392 /nfs/dbraw/zinc/39/63/92/1174396392.db2.gz SQFMTUWMZSXMMG-UHFFFAOYSA-N 0 1 308.298 0.178 20 5 DCBDMN C[C@@H]1C[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCS1 ZINC001664601574 1174442480 /nfs/dbraw/zinc/44/24/80/1174442480.db2.gz WJJVETAKYDOGSI-SFYZADRCSA-N 0 1 320.396 0.891 20 5 DCBDMN CCN(CCNCc1nnc(C2CC2)o1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001668426132 1174794379 /nfs/dbraw/zinc/79/43/79/1174794379.db2.gz BXWMICCNFOXLFZ-GHMZBOCLSA-N 0 1 323.353 0.550 20 5 DCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(Cc2ccc(F)cn2)CC1 ZINC001681657680 1175909142 /nfs/dbraw/zinc/90/91/42/1175909142.db2.gz MPTCPIAIZAUMBL-CHWSQXEVSA-N 0 1 308.313 0.530 20 5 DCBDMN O=C(NCCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1)c1cocn1 ZINC001687809156 1176291676 /nfs/dbraw/zinc/29/16/76/1176291676.db2.gz WTFNLSTUNINJNP-ZYHUDNBSSA-N 0 1 322.321 0.451 20 5 DCBDMN Cc1nc(N(C)CCNC(=O)c2ncn[nH]2)ccc1[N+](=O)[O-] ZINC001688340868 1176459373 /nfs/dbraw/zinc/45/93/73/1176459373.db2.gz GJZBNYYRYBTHOU-UHFFFAOYSA-N 0 1 305.298 0.283 20 5 DCBDMN Cc1nc(N(C)CCNC(=O)c2nc[nH]n2)ccc1[N+](=O)[O-] ZINC001688340868 1176459380 /nfs/dbraw/zinc/45/93/80/1176459380.db2.gz GJZBNYYRYBTHOU-UHFFFAOYSA-N 0 1 305.298 0.283 20 5 DCBDMN CN(CCNC(=O)CCc1ccccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001688346619 1176460849 /nfs/dbraw/zinc/46/08/49/1176460849.db2.gz JCSYLFREVHJGEI-CHWSQXEVSA-N 0 1 320.349 0.254 20 5 DCBDMN CC(C)(F)C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001688791275 1176621369 /nfs/dbraw/zinc/62/13/69/1176621369.db2.gz BZWHOLKCGYLBRG-NXEZZACHSA-N 0 1 315.345 0.945 20 5 DCBDMN Cc1conc1C(=O)N(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001689079474 1176691725 /nfs/dbraw/zinc/69/17/25/1176691725.db2.gz QALVBGBFZMSRHR-NXEZZACHSA-N 0 1 310.310 0.179 20 5 DCBDMN CCc1ocnc1C(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001689276202 1176785781 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O=C(NC[C@@H]1CCCN1CC(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000600255844 396776785 /nfs/dbraw/zinc/77/67/85/396776785.db2.gz MVJLJMHEMDYJTQ-ZETCQYMHSA-N 0 1 303.269 0.777 20 5 DCBDMN O=C(NCc1nnnn1-c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000611204501 396833774 /nfs/dbraw/zinc/83/37/74/396833774.db2.gz XQEFMFCWXSOXMB-UHFFFAOYSA-N 0 1 314.265 0.224 20 5 DCBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H](CO)[C@@H](O)C1 ZINC000617852723 396843067 /nfs/dbraw/zinc/84/30/67/396843067.db2.gz JHIBYMQVMAUYQN-UFBFGSQYSA-N 0 1 320.305 0.286 20 5 DCBDMN CC[C@H]1CN(C)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000590930747 396856939 /nfs/dbraw/zinc/85/69/39/396856939.db2.gz BDWHJAAPNQONKH-NSHDSACASA-N 0 1 310.358 0.527 20 5 DCBDMN CC(C)(CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000611535805 396883072 /nfs/dbraw/zinc/88/30/72/396883072.db2.gz HCEUGCKNWXXCGV-UHFFFAOYSA-N 0 1 323.349 0.829 20 5 DCBDMN Cc1c(CC(=O)NCCN2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000600537338 396886938 /nfs/dbraw/zinc/88/69/38/396886938.db2.gz ZTTNZGVDYRZSBO-CYBMUJFWSA-N 0 1 307.350 0.629 20 5 DCBDMN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CC12CC[NH2+]CC2 ZINC000592390494 397168183 /nfs/dbraw/zinc/16/81/83/397168183.db2.gz XXDZVOWVKAUHQF-SNVBAGLBSA-N 0 1 312.351 0.410 20 5 DCBDMN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000619872449 397200325 /nfs/dbraw/zinc/20/03/25/397200325.db2.gz NBTVGSZQQPDRFT-UHFFFAOYSA-N 0 1 322.281 0.286 20 5 DCBDMN CCCc1n[nH]c(C(=O)NCCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000573825946 397211951 /nfs/dbraw/zinc/21/19/51/397211951.db2.gz LZCQFHQTLHXIGO-UHFFFAOYSA-N 0 1 307.314 0.751 20 5 DCBDMN NCC(=O)NCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000577629729 397348030 /nfs/dbraw/zinc/34/80/30/397348030.db2.gz LDXKBPXLAAWQDI-UHFFFAOYSA-N 0 1 306.322 0.161 20 5 DCBDMN O=C(c1ccc([N+](=O)[O-])o1)N1CCN(Cc2nnc[nH]2)CC1 ZINC000593858389 397458570 /nfs/dbraw/zinc/45/85/70/397458570.db2.gz DXTXHMHPDRESML-UHFFFAOYSA-N 0 1 306.282 0.264 20 5 DCBDMN Cn1c(C(=O)N2CCN(Cc3nnc[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000593859069 397459022 /nfs/dbraw/zinc/45/90/22/397459022.db2.gz NOUQIODUSXUUAW-UHFFFAOYSA-N 0 1 319.325 0.009 20 5 DCBDMN O=C(NCc1n[nH]c([C@H]2CCCO2)n1)c1cc([N+](=O)[O-])c[nH]1 ZINC000594385440 397537994 /nfs/dbraw/zinc/53/79/94/397537994.db2.gz NAQCDMIORAUNQK-SECBINFHSA-N 0 1 306.282 0.823 20 5 DCBDMN Cc1n[nH]c(C(=O)N2CCN(C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000609160231 397762895 /nfs/dbraw/zinc/76/28/95/397762895.db2.gz PZXZGUHYLJUCQR-LLVKDONJSA-N 0 1 323.353 0.563 20 5 DCBDMN COCCN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000609268803 397768286 /nfs/dbraw/zinc/76/82/86/397768286.db2.gz CGDOQSSDLRHOQM-LLVKDONJSA-N 0 1 310.354 0.774 20 5 DCBDMN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1c[nH]nn1 ZINC000610528343 397829890 /nfs/dbraw/zinc/82/98/90/397829890.db2.gz NRKYNYOBFIIRJU-SECBINFHSA-N 0 1 322.329 0.262 20 5 DCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN2CCOC[C@@H]2C1 ZINC000408211473 160060819 /nfs/dbraw/zinc/06/08/19/160060819.db2.gz PGQOSMIZTSVMAE-LBPRGKRZSA-N 0 1 307.306 0.457 20 5 DCBDMN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nn[nH]n2)cc1OC ZINC000265464251 415128429 /nfs/dbraw/zinc/12/84/29/415128429.db2.gz NRFMPJMJNDFALG-UHFFFAOYSA-N 0 1 308.254 0.768 20 5 DCBDMN COc1ccc([N+](=O)[O-])c(N2CCN(C(=O)CN(C)C)CC2)c1 ZINC000266378743 415139323 /nfs/dbraw/zinc/13/93/23/415139323.db2.gz MQMWKVUHJTWBIT-UHFFFAOYSA-N 0 1 322.365 0.814 20 5 DCBDMN O=C(CCOc1ccccc1[N+](=O)[O-])NCCc1nc[nH]n1 ZINC000268258062 415183694 /nfs/dbraw/zinc/18/36/94/415183694.db2.gz JSFZPMZDPYUOPT-UHFFFAOYSA-N 0 1 305.294 0.841 20 5 DCBDMN NC(=O)NC(=O)CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000052844618 415319996 /nfs/dbraw/zinc/31/99/96/415319996.db2.gz TVPJNQXTJWWIAC-UHFFFAOYSA-N 0 1 321.337 0.302 20 5 DCBDMN CC(C)c1nc([C@@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000342990587 415395471 /nfs/dbraw/zinc/39/54/71/415395471.db2.gz YPNVTEQJOYKIHN-MRVPVSSYSA-N 0 1 307.314 0.910 20 5 DCBDMN CN(C)C(=O)c1cccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000343171129 415482998 /nfs/dbraw/zinc/48/29/98/415482998.db2.gz WEPGQBKTMWFZKY-UHFFFAOYSA-N 0 1 317.305 0.950 20 5 DCBDMN CCOCCOCCN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000276241750 415456498 /nfs/dbraw/zinc/45/64/98/415456498.db2.gz PKSLKWRILWWTRC-UHFFFAOYSA-N 0 1 300.315 0.751 20 5 DCBDMN CN(CCC(N)=O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000353192262 415467892 /nfs/dbraw/zinc/46/78/92/415467892.db2.gz LCFIDBOGWIYSRY-LBPRGKRZSA-N 0 1 306.322 0.507 20 5 DCBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)Cc1nnc[nH]1 ZINC000080527675 415480564 /nfs/dbraw/zinc/48/05/64/415480564.db2.gz ZYBZPWNVQBSGGJ-UHFFFAOYSA-N 0 1 311.323 0.842 20 5 DCBDMN CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000353373939 415524611 /nfs/dbraw/zinc/52/46/11/415524611.db2.gz UMXJQTZLMWUYTI-VIFPVBQESA-N 0 1 319.387 0.607 20 5 DCBDMN Cn1c(C(=O)Nc2nc(SCCO)n[nH]2)ccc1[N+](=O)[O-] ZINC000343856860 415751182 /nfs/dbraw/zinc/75/11/82/415751182.db2.gz YZWVVSNZOXNNIA-UHFFFAOYSA-N 0 1 312.311 0.388 20 5 DCBDMN O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296420012 415926693 /nfs/dbraw/zinc/92/66/93/415926693.db2.gz LFJCWDCMJKGEGJ-NSHDSACASA-N 0 1 323.349 0.877 20 5 DCBDMN COC(=O)Cn1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000356518833 415939429 /nfs/dbraw/zinc/93/94/29/415939429.db2.gz WGAGIVWGHLESHW-UHFFFAOYSA-N 0 1 320.261 0.922 20 5 DCBDMN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCN1CCC1 ZINC000337603900 415984092 /nfs/dbraw/zinc/98/40/92/415984092.db2.gz UHKJTVLZEQDDER-UHFFFAOYSA-N 0 1 306.322 0.147 20 5 DCBDMN CCCc1[nH]nc(C(=O)N(C)C[C@@H](C)C(=O)NC)c1[N+](=O)[O-] ZINC000175575982 416111381 /nfs/dbraw/zinc/11/13/81/416111381.db2.gz XJPZXQHQVGNLDZ-MRVPVSSYSA-N 0 1 311.342 0.725 20 5 DCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCc2c(=O)[nH]cnc2C1 ZINC000345993575 416182200 /nfs/dbraw/zinc/18/22/00/416182200.db2.gz OHLUNYWEYRHJPJ-UHFFFAOYSA-N 0 1 316.273 0.995 20 5 DCBDMN O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCc2[nH]nnc2C1 ZINC000358419196 416233906 /nfs/dbraw/zinc/23/39/06/416233906.db2.gz IRCZLNDYYNOARN-UHFFFAOYSA-N 0 1 305.269 0.979 20 5 DCBDMN C[C@H]1CN(C)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330662385 416225252 /nfs/dbraw/zinc/22/52/52/416225252.db2.gz DHJVDCBGBWIHCE-GXTWGEPZSA-N 0 1 309.366 0.970 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCN(CC(C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000331134195 416270787 /nfs/dbraw/zinc/27/07/87/416270787.db2.gz DQVRQLRXBFGBNK-UHFFFAOYSA-N 0 1 309.326 0.567 20 5 DCBDMN Cc1nn(C)c(NCCCN2CCC[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000358899995 416291560 /nfs/dbraw/zinc/29/15/60/416291560.db2.gz JWWZKZAICHZAHX-SNVBAGLBSA-N 0 1 310.358 0.388 20 5 DCBDMN COCCOc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC000536535251 416541746 /nfs/dbraw/zinc/54/17/46/416541746.db2.gz GMIZMCRYABOGJM-UHFFFAOYSA-N 0 1 321.293 0.668 20 5 DCBDMN COCC[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000436779951 416569824 /nfs/dbraw/zinc/56/98/24/416569824.db2.gz YEDJTAPCKYWNKZ-JTQLQIEISA-N 0 1 309.322 0.751 20 5 DCBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](n2ccnn2)C1 ZINC000425499862 416709589 /nfs/dbraw/zinc/70/95/89/416709589.db2.gz BRLQXHKZYZQGGA-GFCCVEGCSA-N 0 1 318.337 0.685 20 5 DCBDMN O=C1NCCN1[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000370002110 416865273 /nfs/dbraw/zinc/86/52/73/416865273.db2.gz MSOMNQNTJQEWSX-LLVKDONJSA-N 0 1 308.342 0.281 20 5 DCBDMN C[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000518776412 416875753 /nfs/dbraw/zinc/87/57/53/416875753.db2.gz AHYIWSMSVIOBPA-SNVBAGLBSA-N 0 1 309.322 0.796 20 5 DCBDMN C[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000518776412 416875760 /nfs/dbraw/zinc/87/57/60/416875760.db2.gz AHYIWSMSVIOBPA-SNVBAGLBSA-N 0 1 309.322 0.796 20 5 DCBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CO)[C@@H]1CCCO1 ZINC000447900553 417035491 /nfs/dbraw/zinc/03/54/91/417035491.db2.gz CQACBOGSWHCMQP-KBPBESRZSA-N 0 1 323.349 0.971 20 5 DCBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](CO)[C@H]1CCCO1 ZINC000447919459 417043142 /nfs/dbraw/zinc/04/31/42/417043142.db2.gz DYIXVJBSSJNEDX-ZIAGYGMSSA-N 0 1 323.349 0.971 20 5 DCBDMN CCC[C@H](NC(=O)c1ccnc(NC)c1[N+](=O)[O-])c1nn[nH]n1 ZINC000567247407 417060167 /nfs/dbraw/zinc/06/01/67/417060167.db2.gz GHZSHOXRLXJUGS-QMMMGPOBSA-N 0 1 320.313 0.816 20 5 DCBDMN CCC[C@@H](NC(=O)c1ccnc(NC)c1[N+](=O)[O-])c1nn[nH]n1 ZINC000567247406 417060585 /nfs/dbraw/zinc/06/05/85/417060585.db2.gz GHZSHOXRLXJUGS-MRVPVSSYSA-N 0 1 320.313 0.816 20 5 DCBDMN CC(C)OC[C@H](CO)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000433164983 417237141 /nfs/dbraw/zinc/23/71/41/417237141.db2.gz GZGOSSJDUPDIJX-ZDUSSCGKSA-N 0 1 313.354 0.474 20 5 DCBDMN O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000452347760 417469575 /nfs/dbraw/zinc/46/95/75/417469575.db2.gz JQRDKDDQKHBCSW-GFCCVEGCSA-N 0 1 323.349 0.877 20 5 DCBDMN O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000452347763 417470461 /nfs/dbraw/zinc/47/04/61/417470461.db2.gz JQRDKDDQKHBCSW-LBPRGKRZSA-N 0 1 323.349 0.877 20 5 DCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000531155714 417608394 /nfs/dbraw/zinc/60/83/94/417608394.db2.gz KPHYCVQXLLTXFX-GFCCVEGCSA-N 0 1 322.365 0.728 20 5 DCBDMN Cc1[nH]nc(C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1[N+](=O)[O-] ZINC000354359390 261208667 /nfs/dbraw/zinc/20/86/67/261208667.db2.gz CBLXUIOYALGUPQ-YUMQZZPRSA-N 0 1 318.355 0.520 20 5 DCBDMN CC(=O)N[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000420985384 262389273 /nfs/dbraw/zinc/38/92/73/262389273.db2.gz KXMIQKATRGUDBU-OCCSQVGLSA-N 0 1 323.349 0.545 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CCN3C(=O)N=NC3C2)c1[N+](=O)[O-] ZINC000358522067 271053945 /nfs/dbraw/zinc/05/39/45/271053945.db2.gz PTFQHEMYLLWECU-UHFFFAOYSA-N 0 1 321.297 0.224 20 5 DCBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCCN(CCO)CC2)n1 ZINC000281069345 274003908 /nfs/dbraw/zinc/00/39/08/274003908.db2.gz AGCRGZIYWUSIJL-UHFFFAOYSA-N 0 1 324.337 0.281 20 5 DCBDMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000548050787 288106228 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CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cc(C2CC2)on1 ZINC001737726433 1187394413 /nfs/dbraw/zinc/39/44/13/1187394413.db2.gz UBFNZCJABHZQQY-MWLCHTKSSA-N 0 1 322.321 0.405 20 5 DCBDMN CN(CCN(C)C(=O)C1CC2(CC2)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001738359750 1187519019 /nfs/dbraw/zinc/51/90/19/1187519019.db2.gz MIUMNBOBOFUHDK-VXGBXAGGSA-N 0 1 309.366 0.759 20 5 DCBDMN CCn1cccc1C(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001738504028 1187576046 /nfs/dbraw/zinc/57/60/46/1187576046.db2.gz JIAPDFQHNKNEKH-CWBMUHOVSA-N 0 1 320.349 0.575 20 5 DCBDMN CC(C)=CC(=O)N(C)CCOCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001738666068 1187622720 /nfs/dbraw/zinc/62/27/20/1187622720.db2.gz AIHBSEVTZYPFOF-VXGBXAGGSA-N 0 1 313.354 0.209 20 5 DCBDMN Cc1n[nH]c(C(C)C)c1C(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001742404593 1187976823 /nfs/dbraw/zinc/97/68/23/1187976823.db2.gz NFUFWPMANHKRMM-NXEZZACHSA-N 0 1 323.353 0.353 20 5 DCBDMN Cc1[nH]nc(C(C)C)c1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001742404593 1187976825 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O=C(NCC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccon1 ZINC001756899712 1189472791 /nfs/dbraw/zinc/47/27/91/1189472791.db2.gz FPMZBPFNUJEKPQ-MWLCHTKSSA-N 0 1 322.321 0.356 20 5 DCBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)s1 ZINC001757985005 1189661242 /nfs/dbraw/zinc/66/12/42/1189661242.db2.gz WGMHTRUKOPDECJ-RNFRBKRXSA-N 0 1 301.299 0.398 20 5 DCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001758930479 1190041244 /nfs/dbraw/zinc/04/12/44/1190041244.db2.gz CSTVAQHPOIRFDO-MCKGTNQJSA-N 0 1 321.377 0.518 20 5 DCBDMN CCN(CCNC(=O)c1cncc(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001758993698 1190060138 /nfs/dbraw/zinc/06/01/38/1190060138.db2.gz DGRUKWMXSULADV-CHWSQXEVSA-N 0 1 320.349 0.634 20 5 DCBDMN O=C(NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cncs1 ZINC001759651184 1190248643 /nfs/dbraw/zinc/24/86/43/1190248643.db2.gz DBBQUKGLPUETBP-WDESOFOKSA-N 0 1 310.335 0.211 20 5 DCBDMN Cc1cc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ns1 ZINC001759888314 1190331103 /nfs/dbraw/zinc/33/11/03/1190331103.db2.gz IBSUWZMSEZIXDC-PSASIEDQSA-N 0 1 324.362 0.495 20 5 DCBDMN Cc1nc(N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)ncc1[N+](=O)[O-] ZINC001164967946 722076898 /nfs/dbraw/zinc/07/68/98/722076898.db2.gz NDXIGKWVASGPOZ-BETUJISGSA-N 0 1 319.365 0.993 20 5 DCBDMN CCn1ccc(CN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001042711511 751856564 /nfs/dbraw/zinc/85/65/64/751856564.db2.gz VEKKJFXOAUPOMK-CHWSQXEVSA-N 0 1 307.354 0.211 20 5 DCBDMN COc1nc(C)c(-n2c(C)ncc(CN)c2=N)cc1[N+](=O)[O-] ZINC001167674771 747518934 /nfs/dbraw/zinc/51/89/34/747518934.db2.gz VXPXLGIANUNRBO-UHFFFAOYSA-N 0 1 304.310 0.739 20 5 DCBDMN CN(CCN(C)c1ncccc1[N+](=O)[O-])C(=O)Cc1ccn[nH]1 ZINC001105373693 748656229 /nfs/dbraw/zinc/65/62/29/748656229.db2.gz KXJBNEIJJGYNNU-UHFFFAOYSA-N 0 1 318.337 0.850 20 5 DCBDMN Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)n1 ZINC001059458995 749199684 /nfs/dbraw/zinc/19/96/84/749199684.db2.gz XNWLIGSTRIYQPK-KYZUINATSA-N 0 1 317.309 0.789 20 5 DCBDMN O=C(NCCNCc1csc(Cl)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936400 750148397 /nfs/dbraw/zinc/14/83/97/750148397.db2.gz FZXHEMSNKUPMEO-HTQZYQBOSA-N 0 1 304.759 0.668 20 5 DCBDMN O=C(NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1cnn[nH]1 ZINC001047086574 754082998 /nfs/dbraw/zinc/08/29/98/754082998.db2.gz AISJKZONJURFOI-KYZUINATSA-N 0 1 317.309 0.728 20 5 DCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1ccoc1 ZINC001062528010 754777774 /nfs/dbraw/zinc/77/77/74/754777774.db2.gz NOZYTNFEKYDYOO-GHMZBOCLSA-N 0 1 307.306 0.714 20 5 DCBDMN Cn1ccc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)c1 ZINC001062989311 755071507 /nfs/dbraw/zinc/07/15/07/755071507.db2.gz YUVZKEDHMZQWNO-VXGBXAGGSA-N 0 1 320.349 0.459 20 5 DCBDMN CC(C)(C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543407 758000162 /nfs/dbraw/zinc/00/01/62/758000162.db2.gz HBYZXQXANLNXPG-GHMZBOCLSA-N 0 1 315.370 0.025 20 5 DCBDMN COc1nc(C)nc(-n2[n-]c(=O)c(CC[NH3+])c2C)c1[N+](=O)[O-] ZINC001170340693 762623244 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CN(CCNC(=O)Cc1cnc[nH]1)c1ncccc1[N+](=O)[O-] ZINC001100354294 763514828 /nfs/dbraw/zinc/51/48/28/763514828.db2.gz VGDGAGOMYBPGDF-UHFFFAOYSA-N 0 1 304.310 0.508 20 5 DCBDMN O=C(NCC[C@@H]1CNC(=O)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001133501570 764989348 /nfs/dbraw/zinc/98/93/48/764989348.db2.gz BAUXAXOYYMBIMM-QMMMGPOBSA-N 0 1 317.305 0.727 20 5 DCBDMN CNC(=O)C1(C(=O)NCCNCc2ccccc2[N+](=O)[O-])CC1 ZINC001135250721 765856400 /nfs/dbraw/zinc/85/64/00/765856400.db2.gz VRDBIJYVGIAJET-UHFFFAOYSA-N 0 1 320.349 0.327 20 5 DCBDMN C[C@@H](O)C[N@H+]1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])[C@@H](C)C1 ZINC001118284257 766278105 /nfs/dbraw/zinc/27/81/05/766278105.db2.gz LLVCZBIVGMZZIF-VHSXEESVSA-N 0 1 324.337 0.579 20 5 DCBDMN COCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C)n2)C1 ZINC001136822944 766548427 /nfs/dbraw/zinc/54/84/27/766548427.db2.gz SLAXGWGIGPAPQW-LLVKDONJSA-N 0 1 308.338 0.749 20 5 DCBDMN CN1CCN(C2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC001119568366 766731678 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/nfs/dbraw/zinc/16/11/55/1165161155.db2.gz AVZAYFGNLNILKM-LSDHHAIUSA-N 0 1 323.349 0.690 20 5 DCBDMN CC1=C(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCO1 ZINC001580759854 1165711257 /nfs/dbraw/zinc/71/12/57/1165711257.db2.gz KDGKSTFABLDJCY-VXGBXAGGSA-N 0 1 311.338 0.311 20 5 DCBDMN O=C(Nc1c[nH]nc1-c1nn[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC001582649846 1166061077 /nfs/dbraw/zinc/06/10/77/1166061077.db2.gz GTRGXVAODQPCRA-UHFFFAOYSA-N 0 1 300.238 0.750 20 5 DCBDMN Cc1cc(NCCn2cnc(-c3nn[nH]n3)n2)ncc1[N+](=O)[O-] ZINC001592051119 1167446253 /nfs/dbraw/zinc/44/62/53/1167446253.db2.gz KBHRWHYRBSZRJW-UHFFFAOYSA-N 0 1 316.285 0.182 20 5 DCBDMN O=C(Cc1ccccc1)Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001592922676 1167664610 /nfs/dbraw/zinc/66/46/10/1167664610.db2.gz CUXZTPKYOSDIPT-UHFFFAOYSA-N 0 1 313.277 0.783 20 5 DCBDMN O=C(OCc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC001593292176 1167763696 /nfs/dbraw/zinc/76/36/96/1167763696.db2.gz NTZWXSBHTKJFKH-PSASIEDQSA-N 0 1 307.241 0.714 20 5 DCBDMN NC(=O)C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001601149295 1168602985 /nfs/dbraw/zinc/60/29/85/1168602985.db2.gz WSJQWCCIIWCJTE-SECBINFHSA-N 0 1 307.306 0.990 20 5 DCBDMN O=C([O-])c1cc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc([N+](=O)[O-])c1 ZINC001602246157 1169041982 /nfs/dbraw/zinc/04/19/82/1169041982.db2.gz HLLNZKRLPAJBLV-GFCCVEGCSA-N 0 1 323.305 0.089 20 5 DCBDMN CC[C@H](C)NC(=O)[C@H](C)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001604006545 1169471041 /nfs/dbraw/zinc/47/10/41/1169471041.db2.gz FVQUHYGOTIAFRR-BQBZGAKWSA-N 0 1 308.302 0.447 20 5 DCBDMN C[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC001604363991 1169568726 /nfs/dbraw/zinc/56/87/26/1169568726.db2.gz JTRPVJMMNZUUFR-KOLCDFICSA-N 0 1 323.353 0.734 20 5 DCBDMN COC(=O)[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001606428373 1170197076 /nfs/dbraw/zinc/19/70/76/1170197076.db2.gz CSUDOVCYQNCQGJ-MNOVXSKESA-N 0 1 308.290 0.900 20 5 DCBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](CCO)[C@H](CO)C2)c1 ZINC001608914345 1170772022 /nfs/dbraw/zinc/77/20/22/1170772022.db2.gz MJUFPBMFFVXANC-AAEUAGOBSA-N 0 1 324.333 0.716 20 5 DCBDMN O=[N+]([O-])c1c(F)cccc1NCCn1cnc(-c2nn[nH]n2)n1 ZINC001609599785 1171037257 /nfs/dbraw/zinc/03/72/57/1171037257.db2.gz AHUJLSUHMXUNKJ-UHFFFAOYSA-N 0 1 319.260 0.618 20 5 DCBDMN COC(=O)[C@@H]1CC[C@@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001622598383 1171427427 /nfs/dbraw/zinc/42/74/27/1171427427.db2.gz XCVSEHHUYLIUTG-SFYZADRCSA-N 0 1 315.307 0.220 20 5 DCBDMN O=C(CCCc1nn[nH]n1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001627251248 1171499491 /nfs/dbraw/zinc/49/94/91/1171499491.db2.gz LLGLSTQBFDHXNZ-UHFFFAOYSA-N 0 1 320.309 0.626 20 5 DCBDMN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCCN(CCCO)C1 ZINC001627864872 1171513050 /nfs/dbraw/zinc/51/30/50/1171513050.db2.gz BHLYMQYWAOIBPS-NSHDSACASA-N 0 1 322.365 0.754 20 5 DCBDMN CCc1[nH]nc(C(=O)N(CC)CC(OC)OC)c1[N+](=O)[O-] ZINC001634572364 1171678692 /nfs/dbraw/zinc/67/86/92/1171678692.db2.gz VAYDRVBTZSIKFT-UHFFFAOYSA-N 0 1 300.315 0.961 20 5 DCBDMN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCOC[C@@H]1c1nn[nH]n1 ZINC001635090661 1171693364 /nfs/dbraw/zinc/69/33/64/1171693364.db2.gz MLDOMKHPXGXRKF-SNVBAGLBSA-N 0 1 322.256 0.461 20 5 DCBDMN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](CO)CN2CCCCC2)n1 ZINC001635226091 1171695816 /nfs/dbraw/zinc/69/58/16/1171695816.db2.gz VKWCKWIFSYXEQL-LBPRGKRZSA-N 0 1 322.365 0.875 20 5 DCBDMN COC(=O)C1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCOCC1 ZINC001635580402 1171708571 /nfs/dbraw/zinc/70/85/71/1171708571.db2.gz GRVFSWJEWNMNBK-UHFFFAOYSA-N 0 1 324.289 0.752 20 5 DCBDMN C[C@@]1(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC001640233845 1171871845 /nfs/dbraw/zinc/87/18/45/1171871845.db2.gz OUEZAFAGFORZRW-CQSZACIVSA-N 0 1 306.322 0.910 20 5 DCBDMN O=C(NCc1nnc2ccc(Cl)cn21)c1n[nH]cc1[N+](=O)[O-] ZINC001641932082 1171933386 /nfs/dbraw/zinc/93/33/86/1171933386.db2.gz DEVBOMCNWFVNSA-UHFFFAOYSA-N 0 1 321.684 0.944 20 5 DCBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1n[nH]c(CO)n1 ZINC001641945251 1171933667 /nfs/dbraw/zinc/93/36/67/1171933667.db2.gz YFCDMQYQAZUTNC-UHFFFAOYSA-N 0 1 305.294 0.752 20 5 DCBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1nnc(CO)[nH]1 ZINC001641945251 1171933673 /nfs/dbraw/zinc/93/36/73/1171933673.db2.gz YFCDMQYQAZUTNC-UHFFFAOYSA-N 0 1 305.294 0.752 20 5 DCBDMN NC(=O)c1ccnc(NC[C@H]2CCCCN2CCO)c1[N+](=O)[O-] ZINC001642713786 1171953362 /nfs/dbraw/zinc/95/33/62/1171953362.db2.gz YTUNQGQJWPDNJK-SNVBAGLBSA-N 0 1 323.353 0.347 20 5 DCBDMN CN1C(=O)c2ccccc2[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001642706414 1171954343 /nfs/dbraw/zinc/95/43/43/1171954343.db2.gz VFYCPVMUAMHGND-JTQLQIEISA-N 0 1 315.289 0.875 20 5 DCBDMN O=C(N[C@@H]1COCC[C@H]1O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001643104522 1171964521 /nfs/dbraw/zinc/96/45/21/1171964521.db2.gz DQAXJRUNNOLZRZ-GHMZBOCLSA-N 0 1 306.278 0.351 20 5 DCBDMN COc1cccc(C(=O)N2CC[C@H](c3nn[nH]n3)C2)c1[N+](=O)[O-] ZINC001644299696 1172002843 /nfs/dbraw/zinc/00/28/43/1172002843.db2.gz SSZATEXMCCBALK-QMMMGPOBSA-N 0 1 318.293 0.746 20 5 DCBDMN Cc1noc(CN2CCN(Cc3nnc[nH]3)CC2)c1[N+](=O)[O-] ZINC001646573452 1172428978 /nfs/dbraw/zinc/42/89/78/1172428978.db2.gz OMPQCDAGAVKLSQ-UHFFFAOYSA-N 0 1 307.314 0.327 20 5 DCBDMN CN(C)c1ccnc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC001652009241 1173760273 /nfs/dbraw/zinc/76/02/73/1173760273.db2.gz CGPBOKWMBBHQNJ-UHFFFAOYSA-N 0 1 316.321 0.963 20 5 DCBDMN CCOc1ccc([N+](=O)[O-])cc1CNCc1n[nH]c(CO)n1 ZINC001657168777 1173908443 /nfs/dbraw/zinc/90/84/43/1173908443.db2.gz ABWITZSKJNDWTF-UHFFFAOYSA-N 0 1 307.310 0.894 20 5 DCBDMN O=[N+]([O-])c1ccc2oc(CNCCN3CC[C@H](O)C3)nc2c1 ZINC001658664814 1173924965 /nfs/dbraw/zinc/92/49/65/1173924965.db2.gz MLITVBJIYRXECG-NSHDSACASA-N 0 1 306.322 0.892 20 5 DCBDMN Cc1nnc(CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1C1CC1 ZINC001663180456 1174271239 /nfs/dbraw/zinc/27/12/39/1174271239.db2.gz MHRUKDWRHWHXLW-VXGBXAGGSA-N 0 1 322.369 0.135 20 5 DCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCO[C@H]2C2CC2)n1 ZINC001665433820 1174522486 /nfs/dbraw/zinc/52/24/86/1174522486.db2.gz LWWJBIKOROBFHW-SCZZXKLOSA-N 0 1 316.339 0.174 20 5 DCBDMN CC(C)N(CCN(C)Cc1ncccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001677198561 1175548599 /nfs/dbraw/zinc/54/85/99/1175548599.db2.gz BWJCEDFKWHHSPG-CHWSQXEVSA-N 0 1 321.381 0.811 20 5 DCBDMN CC1(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCC1 ZINC001679067759 1175698304 /nfs/dbraw/zinc/69/83/04/1175698304.db2.gz SHVFKZBDCBKEJU-DDHJBXDOSA-N 0 1 309.366 0.853 20 5 DCBDMN CC(F)(F)CCC(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001687004144 1176263976 /nfs/dbraw/zinc/26/39/76/1176263976.db2.gz ZUVJJFAATVQRMZ-RKDXNWHRSA-N 0 1 307.297 0.710 20 5 DCBDMN CC(C)c1[nH]ccc1C(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001688325936 1176453573 /nfs/dbraw/zinc/45/35/73/1176453573.db2.gz WKPMXFZDIDIRRZ-VXGBXAGGSA-N 0 1 322.365 0.992 20 5 DCBDMN O=C(NCCN(C(=O)c1nccs1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001688487191 1176507970 /nfs/dbraw/zinc/50/79/70/1176507970.db2.gz KWHVEICRGWJCES-NXEZZACHSA-N 0 1 324.362 0.529 20 5 DCBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1(C(F)F)CC1 ZINC001703577894 1179602492 /nfs/dbraw/zinc/60/24/92/1179602492.db2.gz DGAGNUIHQFEQNR-RKDXNWHRSA-N 0 1 319.308 0.662 20 5 DCBDMN Cc1cnccc1CC(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001704202630 1179927992 /nfs/dbraw/zinc/92/79/92/1179927992.db2.gz GUBHYTIVFXAGLG-CHWSQXEVSA-N 0 1 320.349 0.172 20 5 DCBDMN CC1(CC(=O)NCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)CC1 ZINC001704405442 1180000077 /nfs/dbraw/zinc/00/00/77/1180000077.db2.gz ABRPHLURHAYLNT-VXGBXAGGSA-N 0 1 309.366 0.949 20 5 DCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccnc(F)c1 ZINC001705261664 1180325808 /nfs/dbraw/zinc/32/58/08/1180325808.db2.gz RWUQSOFVUNUXLA-NXEZZACHSA-N 0 1 322.296 0.265 20 5 DCBDMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1coc(C)n1 ZINC001707451449 1180517815 /nfs/dbraw/zinc/51/78/15/1180517815.db2.gz IXUQKCHDUCUGGK-CHWSQXEVSA-N 0 1 310.354 0.976 20 5 DCBDMN CCN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)C(F)F ZINC001715711244 1181952543 /nfs/dbraw/zinc/95/25/43/1181952543.db2.gz IOZIPADGFWQJNA-UHFFFAOYSA-N 0 1 305.285 0.532 20 5 DCBDMN CCc1noc(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001716293260 1182312033 /nfs/dbraw/zinc/31/20/33/1182312033.db2.gz ZYTBTDGZTVOGQC-HIHHVFROSA-N 0 1 309.326 0.059 20 5 DCBDMN CC(C)c1n[nH]cc1C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001720274898 1183544746 /nfs/dbraw/zinc/54/47/46/1183544746.db2.gz ZMQRAQLPPNSTRQ-MWLCHTKSSA-N 0 1 323.353 0.434 20 5 DCBDMN CCCN(CCNC(=O)c1ccn(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001721205970 1183864972 /nfs/dbraw/zinc/86/49/72/1183864972.db2.gz CMBKDUAPPLMGES-CHWSQXEVSA-N 0 1 322.365 0.659 20 5 DCBDMN CCc1nnc(CN(CC)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001731803636 1185497049 /nfs/dbraw/zinc/49/70/49/1185497049.db2.gz QMJDEFMDPJYEPC-NXEZZACHSA-N 0 1 311.342 0.235 20 5 DCBDMN Cc1ccnc(CN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)n1 ZINC001731875005 1185543099 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DCBDMN CC(C)=C(F)C(=O)N(C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001294065488 957475565 /nfs/dbraw/zinc/47/55/65/957475565.db2.gz HSSRFEIBSLLKRU-NXEZZACHSA-N 0 1 301.318 0.880 20 5 DCBDMN COCC1(C(=O)NCCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001294186518 957493969 /nfs/dbraw/zinc/49/39/69/957493969.db2.gz XYPBGDCMOKWDQQ-GHMZBOCLSA-N 0 1 313.354 0.043 20 5 DCBDMN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)C[C@@H](C)c2nn[nH]n2)n1 ZINC001296063986 957890472 /nfs/dbraw/zinc/89/04/72/957890472.db2.gz MARUPBLAXSGIIQ-SSDOTTSWSA-N 0 1 305.298 0.687 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CSC(C)C ZINC001296300642 957950999 /nfs/dbraw/zinc/95/09/99/957950999.db2.gz JABRIKUBLWCORY-GHMZBOCLSA-N 0 1 317.411 0.758 20 5 DCBDMN CN(CCN(C)C(=O)C1C=CC=CC=C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001298069266 958402838 /nfs/dbraw/zinc/40/28/38/958402838.db2.gz DXGBACBNIOOJJU-ZIAGYGMSSA-N 0 1 319.361 0.867 20 5 DCBDMN O=C(CC1CC1)NCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001492162387 959645221 /nfs/dbraw/zinc/64/52/21/959645221.db2.gz SMJSDUCAIMJAPT-CHWSQXEVSA-N 0 1 309.366 0.807 20 5 DCBDMN CCCN(CCNC(=O)c1cc(C)n[nH]1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001529492780 1014557817 /nfs/dbraw/zinc/55/78/17/1014557817.db2.gz PEZPHAPSCFZZQQ-ZYHUDNBSSA-N 0 1 323.353 0.352 20 5 DCBDMN CC(C)(C)OCC(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001530753846 1014922703 /nfs/dbraw/zinc/92/27/03/1014922703.db2.gz XCWINXPRMZLZNA-GHMZBOCLSA-N 0 1 313.354 0.041 20 5 DCBDMN Cc1nc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC001475757694 1017151819 /nfs/dbraw/zinc/15/18/19/1017151819.db2.gz IIJLYWBBXTVGIT-UHFFFAOYSA-N 0 1 315.286 0.639 20 5 DCBDMN CN(CC(=O)[O-])C(=O)CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC001598409243 991727492 /nfs/dbraw/zinc/72/74/92/991727492.db2.gz JLUQQSSAKARCJD-UHFFFAOYSA-N 0 1 321.333 0.886 20 5 DCBDMN COC(=O)[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC001598801826 996145054 /nfs/dbraw/zinc/14/50/54/996145054.db2.gz COFIRNGJYOGTLJ-KOLCDFICSA-N 0 1 323.305 0.828 20 5 DCBDMN COC(=O)[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC001598801826 996145055 /nfs/dbraw/zinc/14/50/55/996145055.db2.gz COFIRNGJYOGTLJ-KOLCDFICSA-N 0 1 323.305 0.828 20 5 DCBDMN O=C(c1ccc([N+](=O)[O-])s1)N1CCOC[C@H]1c1nn[nH]n1 ZINC001470932489 1016503047 /nfs/dbraw/zinc/50/30/47/1016503047.db2.gz PDNMKHHQXDXYBF-LURJTMIESA-N 0 1 310.295 0.383 20 5 DCBDMN CN1CCN(CCNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC001476862685 1017227762 /nfs/dbraw/zinc/22/77/62/1017227762.db2.gz DVACREGIOBSYLY-UHFFFAOYSA-N 0 1 322.369 0.546 20 5 DCBDMN COC(=O)c1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1OC ZINC001457992131 1012019669 /nfs/dbraw/zinc/01/96/69/1012019669.db2.gz WSLLJEKHUFAFII-GHMZBOCLSA-N 0 1 308.290 0.763 20 5 DCBDMN CNC(=O)c1ccc(NC[C@H](O)c2cnc[nH]2)c([N+](=O)[O-])c1 ZINC001458584432 1012223123 /nfs/dbraw/zinc/22/31/23/1012223123.db2.gz CNZZODCECIVKLW-LBPRGKRZSA-N 0 1 305.294 0.823 20 5 DCBDMN CNc1ccc(C(=O)N[C@H](CO)Cc2cnc[nH]2)cc1[N+](=O)[O-] ZINC001558027393 1012314117 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0.957 20 5 DCBDMN COCCCCC(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001498541216 1019210774 /nfs/dbraw/zinc/21/07/74/1019210774.db2.gz ZGBQJIWDKSWYPV-VXGBXAGGSA-N 0 1 313.354 0.043 20 5 DCBDMN C[C@H]1OCC[C@@]1(O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000279554697 214962737 /nfs/dbraw/zinc/96/27/37/214962737.db2.gz RPFKMDIXUBRBHQ-XLKFXECMSA-N 0 1 320.305 0.741 20 5 DCBDMN CC(=O)N1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000272714767 210121242 /nfs/dbraw/zinc/12/12/42/210121242.db2.gz YOENVTWMKNTJRY-SECBINFHSA-N 0 1 307.306 0.993 20 5 DCBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC(=O)N(C2CC2)C1 ZINC000279722166 215091338 /nfs/dbraw/zinc/09/13/38/215091338.db2.gz ZUMKFKOOKUCXGF-UHFFFAOYSA-N 0 1 315.289 0.875 20 5 DCBDMN CN(Cc1nnc[nH]1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000174826682 198390971 /nfs/dbraw/zinc/39/09/71/198390971.db2.gz LNOCYFIGGHJATD-NSHDSACASA-N 0 1 307.310 0.585 20 5 DCBDMN Cc1n[nH]c(C(=O)N[C@H](CO)CN2CCCCC2)c1[N+](=O)[O-] ZINC000288574861 220252196 /nfs/dbraw/zinc/25/21/96/220252196.db2.gz RDHCIPWARDAENB-JTQLQIEISA-N 0 1 311.342 0.203 20 5 DCBDMN CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000106403232 194208675 /nfs/dbraw/zinc/20/86/75/194208675.db2.gz WYKGAJDGGFMJCJ-LBPRGKRZSA-N 0 1 323.349 0.829 20 5 DCBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCN(C)CC1 ZINC000063703215 184286903 /nfs/dbraw/zinc/28/69/03/184286903.db2.gz KZZLTOCTFIBHBN-UHFFFAOYSA-N 0 1 306.366 0.880 20 5 DCBDMN COC(=O)C[C@H]1COCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000341187787 253354473 /nfs/dbraw/zinc/35/44/73/253354473.db2.gz ZIGAFFVCHUWMCD-QMMMGPOBSA-N 0 1 312.282 0.030 20 5 DCBDMN O=C(NC[C@H]1CC[C@@H](CO)O1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000294583905 224102364 /nfs/dbraw/zinc/10/23/64/224102364.db2.gz LZBNKUVRYCZUNZ-ZJUUUORDSA-N 0 1 320.305 0.741 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](CNC(C)=O)C2)c1[N+](=O)[O-] ZINC000345976875 253994802 /nfs/dbraw/zinc/99/48/02/253994802.db2.gz YQPNRKFHHTXHIX-SNVBAGLBSA-N 0 1 323.353 0.869 20 5 DCBDMN O=C(CCc1cccc([N+](=O)[O-])c1)NC1(c2nn[nH]n2)CC1 ZINC000348294960 254230145 /nfs/dbraw/zinc/23/01/45/254230145.db2.gz UPMJEFGYIIPMMN-UHFFFAOYSA-N 0 1 302.294 0.846 20 5 DCBDMN CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000270761927 395806078 /nfs/dbraw/zinc/80/60/78/395806078.db2.gz YEHHWLHHMOYPCN-DTWKUNHWSA-N 0 1 309.326 0.695 20 5 DCBDMN COCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000276475350 396000796 /nfs/dbraw/zinc/00/07/96/396000796.db2.gz FCKFEXOLEHCMAU-JTQLQIEISA-N 0 1 308.338 0.628 20 5 DCBDMN CN1CCN(CCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000067511466 396027840 /nfs/dbraw/zinc/02/78/40/396027840.db2.gz ZYQUCNWLACZENI-AATRIKPKSA-N 0 1 318.377 0.972 20 5 DCBDMN CN1CCO[C@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000153134591 396021864 /nfs/dbraw/zinc/02/18/64/396021864.db2.gz CQZYWBGZKMRVMH-STQMWFEESA-N 0 1 306.322 0.213 20 5 DCBDMN CCc1[nH]nc(C(=O)N(CCOC)CCOC)c1[N+](=O)[O-] ZINC000171367131 396115424 /nfs/dbraw/zinc/11/54/24/396115424.db2.gz ZXJRNZCYAJQYOY-UHFFFAOYSA-N 0 1 300.315 0.615 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[S@](=O)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000278614819 396135122 /nfs/dbraw/zinc/13/51/22/396135122.db2.gz OHHFUMBYLOZETJ-UWVJKVLLSA-N 0 1 314.367 0.862 20 5 DCBDMN COCCN1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000264432106 396279811 /nfs/dbraw/zinc/27/98/11/396279811.db2.gz AUAGKBNILLGOPV-LBPRGKRZSA-N 0 1 323.349 0.811 20 5 DCBDMN CCc1n[nH]c(C(=O)N[C@@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000264600582 396294211 /nfs/dbraw/zinc/29/42/11/396294211.db2.gz JVDOIZYWDVNXAJ-JTQLQIEISA-N 0 1 324.385 0.246 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000264671396 396301509 /nfs/dbraw/zinc/30/15/09/396301509.db2.gz LTAQCKIVCLWYCT-MRVPVSSYSA-N 0 1 310.310 0.906 20 5 DCBDMN O=C(NCCN1C(=O)CCC1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269271886 396402591 /nfs/dbraw/zinc/40/25/91/396402591.db2.gz GTTAEQNVJUIISF-UHFFFAOYSA-N 0 1 307.262 0.179 20 5 DCBDMN C[C@H](CN1CCCCC1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269660999 396434052 /nfs/dbraw/zinc/43/40/52/396434052.db2.gz WKRZBQHOCPRIOZ-GFCCVEGCSA-N 0 1 322.365 0.747 20 5 DCBDMN CCc1nnc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])[nH]1 ZINC000594776468 396512333 /nfs/dbraw/zinc/51/23/33/396512333.db2.gz CTDLMZFNZHAXKS-UHFFFAOYSA-N 0 1 312.311 0.149 20 5 DCBDMN CCc1nnc(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])[nH]1 ZINC000594776468 396512336 /nfs/dbraw/zinc/51/23/36/396512336.db2.gz CTDLMZFNZHAXKS-UHFFFAOYSA-N 0 1 312.311 0.149 20 5 DCBDMN CC(C)(C)c1nc(Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)n[nH]1 ZINC000292455138 396550547 /nfs/dbraw/zinc/55/05/47/396550547.db2.gz OGKHBLQBFSDNBL-UHFFFAOYSA-N 0 1 320.309 0.319 20 5 DCBDMN O=[N+]([O-])c1ccc(N2CCN(CCc3c[nH]nn3)CC2)cn1 ZINC000595288601 396580581 /nfs/dbraw/zinc/58/05/81/396580581.db2.gz PRFFTWZVAPGHCG-UHFFFAOYSA-N 0 1 303.326 0.473 20 5 DCBDMN CCOCC[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000562425447 396663178 /nfs/dbraw/zinc/66/31/78/396663178.db2.gz 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O=[N+]([O-])c1ccc2[nH]c(CNC[C@H](O)Cn3cccn3)nc2c1 ZINC000564863992 396885641 /nfs/dbraw/zinc/88/56/41/396885641.db2.gz LBYHFVFFBDUHSA-NSHDSACASA-N 0 1 316.321 0.818 20 5 DCBDMN C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000612556062 397093802 /nfs/dbraw/zinc/09/38/02/397093802.db2.gz OWGMAWPCKPCPQG-RNCFNFMXSA-N 0 1 309.322 0.749 20 5 DCBDMN C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000612556062 397093803 /nfs/dbraw/zinc/09/38/03/397093803.db2.gz OWGMAWPCKPCPQG-RNCFNFMXSA-N 0 1 309.322 0.749 20 5 DCBDMN CCCc1n[nH]c(C(=O)NCc2n[nH]c(COC)n2)c1[N+](=O)[O-] ZINC000598050531 397165436 /nfs/dbraw/zinc/16/54/36/397165436.db2.gz MJYSDABPFQOESA-UHFFFAOYSA-N 0 1 323.313 0.465 20 5 DCBDMN COC[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])OCCc2ccccc21 ZINC000378017151 397179639 /nfs/dbraw/zinc/17/96/39/397179639.db2.gz JWJDBIUADRJRRT-XPKDYRNWSA-N 0 1 320.345 0.882 20 5 DCBDMN Cn1ccnc1[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)(C)CO ZINC000597846964 397120464 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COCCN1CC[C@@H](Nc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598594789 397254248 /nfs/dbraw/zinc/25/42/48/397254248.db2.gz CPPIUDLZFQAAPW-SNVBAGLBSA-N 0 1 324.337 0.909 20 5 DCBDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000593188439 397336755 /nfs/dbraw/zinc/33/67/55/397336755.db2.gz HFSFOCBOWUOVDK-UTUOFQBUSA-N 0 1 322.365 0.696 20 5 DCBDMN CCc1nn(C)c(N2CCN(Cc3nnc[nH]3)CC2)c1[N+](=O)[O-] ZINC000593507930 397378218 /nfs/dbraw/zinc/37/82/18/397378218.db2.gz KHAZHNZHAPIMRN-UHFFFAOYSA-N 0 1 320.357 0.331 20 5 DCBDMN CN(CC(=O)NC[C@@H]1COCCN1)c1ccccc1[N+](=O)[O-] ZINC000602551145 397437699 /nfs/dbraw/zinc/43/76/99/397437699.db2.gz NHPMNZJIEYRUMF-LLVKDONJSA-N 0 1 308.338 0.136 20 5 DCBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1COCCN1 ZINC000599587545 397480845 /nfs/dbraw/zinc/48/08/45/397480845.db2.gz FFXTYECCIHZZOF-SECBINFHSA-N 0 1 310.310 0.713 20 5 DCBDMN Cn1c(C(=O)NCc2n[nH]c([C@H]3CCCO3)n2)ccc1[N+](=O)[O-] ZINC000594385035 397538196 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O=C1NCCN1CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000343890455 415768297 /nfs/dbraw/zinc/76/82/97/415768297.db2.gz YLGIMMKTSCADSF-LLVKDONJSA-N 0 1 320.353 0.501 20 5 DCBDMN Nc1c(C(=O)N[C@H]2CCCN(CCCO)C2)cccc1[N+](=O)[O-] ZINC000295430720 415890190 /nfs/dbraw/zinc/89/01/90/415890190.db2.gz KRUOTINUFKYECX-NSHDSACASA-N 0 1 322.365 0.754 20 5 DCBDMN O=C(CC1CCCC1)NCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000130439914 415918406 /nfs/dbraw/zinc/91/84/06/415918406.db2.gz NREDXKFLBCZLKN-UHFFFAOYSA-N 0 1 309.326 0.744 20 5 DCBDMN CO[C@H](C)c1noc(CN(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])n1 ZINC000357249080 416052660 /nfs/dbraw/zinc/05/26/60/416052660.db2.gz NAVDJOQDXFLHIK-SSDOTTSWSA-N 0 1 324.297 0.989 20 5 DCBDMN NC(=O)C[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000175253379 416101087 /nfs/dbraw/zinc/10/10/87/416101087.db2.gz PJMZLTUWDSCEOT-JTQLQIEISA-N 0 1 320.349 0.781 20 5 DCBDMN O=C1NCCN1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176213196 416121875 /nfs/dbraw/zinc/12/18/75/416121875.db2.gz PSRZTJIRDCFBNC-UHFFFAOYSA-N 0 1 308.342 0.281 20 5 DCBDMN O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1n[nH]cc1[N+](=O)[O-] ZINC000338681929 416126463 /nfs/dbraw/zinc/12/64/63/416126463.db2.gz TWZHBMHEKJQXAJ-JOYOIKCWSA-N 0 1 324.337 0.615 20 5 DCBDMN O=C(NCCNc1cc[nH+]cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000341866281 416245694 /nfs/dbraw/zinc/24/56/94/416245694.db2.gz AZIBBWLKHHZADJ-UHFFFAOYSA-N 0 1 303.278 0.354 20 5 DCBDMN COc1ccc(NC(=O)C(=O)N2CCN[C@H](C)C2)cc1[N+](=O)[O-] ZINC000415409426 416341590 /nfs/dbraw/zinc/34/15/90/416341590.db2.gz DHKQXJURLYADJI-SECBINFHSA-N 0 1 322.321 0.362 20 5 DCBDMN C[C@@H]1CN(CCCNc2ccc(N)c([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000590570593 416527020 /nfs/dbraw/zinc/52/70/20/416527020.db2.gz XQFFIXQWFQOWNL-PHIMTYICSA-N 0 1 309.370 1.483 20 5 DCBDMN C[C@H]1CNCCN1C(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000423608596 416527300 /nfs/dbraw/zinc/52/73/00/416527300.db2.gz OCWVAJXLUTUPLN-NSHDSACASA-N 0 1 320.349 0.374 20 5 DCBDMN CC(C)[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CCN1C ZINC000594345359 416560812 /nfs/dbraw/zinc/56/08/12/416560812.db2.gz OVKHENXGFHGVCS-NSHDSACASA-N 0 1 307.354 0.984 20 5 DCBDMN O=c1[nH]c(NCCN2CC[C@@H](O)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000599176291 416610314 /nfs/dbraw/zinc/61/03/14/416610314.db2.gz PUIAQCBKTGQBJJ-SNVBAGLBSA-N 0 1 319.321 0.722 20 5 DCBDMN C[C@H]1CN(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000541879652 416616264 /nfs/dbraw/zinc/61/62/64/416616264.db2.gz XBQCQORKPZMJLZ-JTQLQIEISA-N 0 1 309.322 0.751 20 5 DCBDMN C[C@@H]1C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000440806012 416648879 /nfs/dbraw/zinc/64/88/79/416648879.db2.gz GWFJHWKOQYAINH-HTQZYQBOSA-N 0 1 305.381 0.933 20 5 DCBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1c[nH]nn1 ZINC000615165184 416774180 /nfs/dbraw/zinc/77/41/80/416774180.db2.gz ZBAIUKDNQIRKRL-UHFFFAOYSA-N 0 1 304.266 0.276 20 5 DCBDMN CCn1cc([N+](=O)[O-])c(C(=O)NC2(c3nn[nH]n3)CCCC2)n1 ZINC000427829033 416852863 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CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C(N)=O ZINC000451139365 417307417 /nfs/dbraw/zinc/30/74/17/417307417.db2.gz PCEVQUMJCAQEEK-NSHDSACASA-N 0 1 311.338 0.530 20 5 DCBDMN CCOC(=O)c1cc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC000574144515 417481423 /nfs/dbraw/zinc/48/14/23/417481423.db2.gz NQIQYHOLSZCUKU-UHFFFAOYSA-N 0 1 321.249 0.848 20 5 DCBDMN CNc1nccc(C(=O)N2CC[C@@H](c3nc[nH]n3)C2)c1[N+](=O)[O-] ZINC000574292192 417481944 /nfs/dbraw/zinc/48/19/44/417481944.db2.gz LSJQGGCRYZTKIW-MRVPVSSYSA-N 0 1 317.309 0.779 20 5 DCBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000452421513 417483870 /nfs/dbraw/zinc/48/38/70/417483870.db2.gz PRMCOAVTLCEIGY-UHFFFAOYSA-N 0 1 303.282 0.498 20 5 DCBDMN CNc1nc(C(=O)NC(C)(C)c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000455768681 417615789 /nfs/dbraw/zinc/61/57/89/417615789.db2.gz WQKLJJHBZOUMID-UHFFFAOYSA-N 0 1 306.286 0.210 20 5 DCBDMN CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(NC)n1)c1nn[nH]n1 ZINC000455888304 417619038 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CC(C)c1nnc(CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001731770497 1185477263 /nfs/dbraw/zinc/47/72/63/1185477263.db2.gz WHFZRVBCUOMOMD-NXEZZACHSA-N 0 1 311.342 0.406 20 5 DCBDMN Cc1ccc(CC(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001736741632 1187080318 /nfs/dbraw/zinc/08/03/18/1187080318.db2.gz SUGMVEXSMQLWQA-CHWSQXEVSA-N 0 1 305.334 0.435 20 5 DCBDMN Cc1ccncc1CC(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001736928381 1187183637 /nfs/dbraw/zinc/18/36/37/1187183637.db2.gz LNTJGYUGKCCIFA-CHWSQXEVSA-N 0 1 320.349 0.220 20 5 DCBDMN Cc1ocnc1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001738732847 1187640985 /nfs/dbraw/zinc/64/09/85/1187640985.db2.gz MCLLDCRDZAFLFN-RKDXNWHRSA-N 0 1 308.294 0.027 20 5 DCBDMN CCc1n[nH]cc1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001738939409 1187704501 /nfs/dbraw/zinc/70/45/01/1187704501.db2.gz QHXUTKJFFSADQL-LDYMZIIASA-N 0 1 321.337 0.016 20 5 DCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccsn1 ZINC001747804012 1188304283 /nfs/dbraw/zinc/30/42/83/1188304283.db2.gz RCDXEZZSFKTRRW-VXNVDRBHSA-N 0 1 310.335 0.187 20 5 DCBDMN Cc1cc[nH]c1C(=O)N(C)CCNCc1c([N+](=O)[O-])ncn1C ZINC001753185911 1188526974 /nfs/dbraw/zinc/52/69/74/1188526974.db2.gz DUOLVVAUZGMNKA-UHFFFAOYSA-N 0 1 320.353 0.827 20 5 DCBDMN COCCCC(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001758275998 1189808217 /nfs/dbraw/zinc/80/82/17/1189808217.db2.gz MCMMGNKAYDBSHF-VXGBXAGGSA-N 0 1 313.354 0.139 20 5 DCBDMN O=C(NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccnc(F)c1 ZINC001759655885 1190251895 /nfs/dbraw/zinc/25/18/95/1190251895.db2.gz HWUKKOGFEGCCFF-COUIAZAYSA-N 0 1 322.296 0.288 20 5 DCBDMN CN1CCO[C@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@H]21 ZINC001164669308 719415628 /nfs/dbraw/zinc/41/56/28/719415628.db2.gz LNIWAZZREQYZOS-NEPJUHHUSA-N 0 1 303.322 0.990 20 5 DCBDMN CCn1ccnc1CN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042705061 751852438 /nfs/dbraw/zinc/85/24/38/751852438.db2.gz JJBWZHLBAMNLRR-VXGBXAGGSA-N 0 1 307.354 0.211 20 5 DCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2nnc(C3CC3)o2)C1 ZINC001042705488 751852462 /nfs/dbraw/zinc/85/24/62/751852462.db2.gz TZYLDFGUQDIORI-GHMZBOCLSA-N 0 1 321.337 0.255 20 5 DCBDMN Cc1nc(C)c(CN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001042707556 751854942 /nfs/dbraw/zinc/85/49/42/751854942.db2.gz PBFNJFSOKBRONI-VXGBXAGGSA-N 0 1 308.338 0.599 20 5 DCBDMN O=C(NCC=CCNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ncn[nH]1 ZINC001107287978 751988931 /nfs/dbraw/zinc/98/89/31/751988931.db2.gz FUGOGZSACICBQH-OWOJBTEDSA-N 0 1 319.281 0.212 20 5 DCBDMN O=C(NCC=CCNc1cc[nH]c(=O)c1[N+](=O)[O-])c1nc[nH]n1 ZINC001107287978 751988934 /nfs/dbraw/zinc/98/89/34/751988934.db2.gz FUGOGZSACICBQH-OWOJBTEDSA-N 0 1 319.281 0.212 20 5 DCBDMN Cc1nc(N[C@H]2C[C@H](NC(=O)c3ncn[nH]3)C2)ccc1[N+](=O)[O-] ZINC001059276896 748918095 /nfs/dbraw/zinc/91/80/95/748918095.db2.gz OCIFKIMTMRDOHN-KYZUINATSA-N 0 1 317.309 0.789 20 5 DCBDMN Cc1nc(N[C@H]2C[C@H](NC(=O)c3nc[nH]n3)C2)ccc1[N+](=O)[O-] ZINC001059276896 748918102 /nfs/dbraw/zinc/91/81/02/748918102.db2.gz OCIFKIMTMRDOHN-KYZUINATSA-N 0 1 317.309 0.789 20 5 DCBDMN CC(C)Cc1nc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001126943707 750157087 /nfs/dbraw/zinc/15/70/87/750157087.db2.gz UYPPOAVJUSJVND-NXEZZACHSA-N 0 1 311.342 0.139 20 5 DCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001128962435 754397241 /nfs/dbraw/zinc/39/72/41/754397241.db2.gz DLFDONIUSZGMOO-CKYFFXLPSA-N 0 1 302.352 0.079 20 5 DCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1ccoc1 ZINC001062989589 755072094 /nfs/dbraw/zinc/07/20/94/755072094.db2.gz JKOUCYCEQNMQIQ-GHMZBOCLSA-N 0 1 307.306 0.714 20 5 DCBDMN O=C(CCCF)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001064015196 755313331 /nfs/dbraw/zinc/31/33/31/755313331.db2.gz QHLCQBQPUPUTKN-NXEZZACHSA-N 0 1 301.318 0.556 20 5 DCBDMN O=C(NC1(CNC(=O)C2CC3(CC3)C2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001064469483 755407485 /nfs/dbraw/zinc/40/74/85/755407485.db2.gz HECUGRWCVBBIII-VXGBXAGGSA-N 0 1 321.377 0.997 20 5 DCBDMN CCN(C(=O)C=C1CCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079597878 755927210 /nfs/dbraw/zinc/92/72/10/755927210.db2.gz HERGVAOFXVVKCP-CHWSQXEVSA-N 0 1 307.350 0.821 20 5 DCBDMN O=C(NCCNCc1csc([N+](=O)[O-])c1)c1ccc(=O)[nH]n1 ZINC001123089043 767925934 /nfs/dbraw/zinc/92/59/34/767925934.db2.gz AHQDCCPJRNNECJ-UHFFFAOYSA-N 0 1 323.334 0.672 20 5 DCBDMN O=C(Cn1cccn1)NCCNCc1ccccc1[N+](=O)[O-] ZINC001123516172 767992245 /nfs/dbraw/zinc/99/22/45/767992245.db2.gz WMTDSSAHLWBSPZ-UHFFFAOYSA-N 0 1 303.322 0.697 20 5 DCBDMN CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001133647251 765064538 /nfs/dbraw/zinc/06/45/38/765064538.db2.gz PMHXKUBAFMPCPS-ZRUFSTJUSA-N 0 1 300.311 0.269 20 5 DCBDMN O=C(NCCNCc1csc([N+](=O)[O-])c1)c1cccnn1 ZINC001135637526 766018103 /nfs/dbraw/zinc/01/81/03/766018103.db2.gz OHVMTTPHRWQGML-UHFFFAOYSA-N 0 1 307.335 0.966 20 5 DCBDMN Cn1cnnc1CS(=O)(=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001118229011 766260993 /nfs/dbraw/zinc/26/09/93/766260993.db2.gz WNBYKGGPOVKQQU-UHFFFAOYSA-N 0 1 312.307 0.544 20 5 DCBDMN COC[C@]1(C(=O)[O-])CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001118324652 766289631 /nfs/dbraw/zinc/28/96/31/766289631.db2.gz XZBLLPHWQHNMIU-ZDUSSCGKSA-N 0 1 312.326 0.605 20 5 DCBDMN COCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C)n2)C1 ZINC001136822945 766548211 /nfs/dbraw/zinc/54/82/11/766548211.db2.gz SLAXGWGIGPAPQW-NSHDSACASA-N 0 1 308.338 0.749 20 5 DCBDMN COCCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001136823057 766548525 /nfs/dbraw/zinc/54/85/25/766548525.db2.gz VTBFIALJLIZIJO-JTQLQIEISA-N 0 1 308.338 0.628 20 5 DCBDMN C[C@]1(NC(=O)c2cc([N+](=O)[O-])cnc2N)CN2CCC1CC2 ZINC001146873261 767565758 /nfs/dbraw/zinc/56/57/58/767565758.db2.gz FOZYAOQDVALXBX-AWEZNQCLSA-N 0 1 305.338 0.786 20 5 DCBDMN O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1nncc3n[nH]cc31)C2 ZINC001230900329 768904749 /nfs/dbraw/zinc/90/47/49/768904749.db2.gz GVFWJCBGVDPIPM-LURJTMIESA-N 0 1 303.238 0.298 20 5 DCBDMN O=C(NCCCNc1ncc([N+](=O)[O-])cc1F)c1ncn[nH]1 ZINC001094533203 769097963 /nfs/dbraw/zinc/09/79/63/769097963.db2.gz MVECXRNIOSLJJD-UHFFFAOYSA-N 0 1 309.261 0.479 20 5 DCBDMN O=C(NCCCNc1ncc([N+](=O)[O-])cc1F)c1nc[nH]n1 ZINC001094533203 769097974 /nfs/dbraw/zinc/09/79/74/769097974.db2.gz MVECXRNIOSLJJD-UHFFFAOYSA-N 0 1 309.261 0.479 20 5 DCBDMN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCOC[C@@H]1c1nn[nH]n1 ZINC001150802532 769189251 /nfs/dbraw/zinc/18/92/51/769189251.db2.gz FQIWSXBZJDDWJL-SNVBAGLBSA-N 0 1 322.256 0.461 20 5 DCBDMN C[C@](CO)(NC(=O)c1cnncc1O)c1cccc([N+](=O)[O-])c1 ZINC001151596782 769375313 /nfs/dbraw/zinc/37/53/13/769375313.db2.gz SVEGPJDCVSHDAZ-CQSZACIVSA-N 0 1 318.289 0.728 20 5 DCBDMN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC(c2nn[nH]n2)CC1 ZINC001174930932 769818247 /nfs/dbraw/zinc/81/82/47/769818247.db2.gz OGNHWMMZGHQPIF-UHFFFAOYSA-N 0 1 320.313 0.101 20 5 DCBDMN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CCN1C ZINC001178455659 770757949 /nfs/dbraw/zinc/75/79/49/770757949.db2.gz KBHHWSRLVNRJNL-GHMZBOCLSA-N 0 1 324.385 0.648 20 5 DCBDMN CCOC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1COCCN1 ZINC001159043522 771851283 /nfs/dbraw/zinc/85/12/83/771851283.db2.gz DEUWKLBWUNUGHS-VIFPVBQESA-N 0 1 310.310 0.567 20 5 DCBDMN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NC[C@@H]2COCCN2)n1 ZINC001159045261 771852353 /nfs/dbraw/zinc/85/23/53/771852353.db2.gz CYDUDIHCJJJKCC-SECBINFHSA-N 0 1 310.314 0.052 20 5 DCBDMN COc1nc(N2CC(N(C)[C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001165203806 772704037 /nfs/dbraw/zinc/70/40/37/772704037.db2.gz GYZZTMIMADQQKP-SNVBAGLBSA-N 0 1 308.338 0.908 20 5 DCBDMN COC(=O)[C@H]1CNCCN1c1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC001165437289 772737324 /nfs/dbraw/zinc/73/73/24/772737324.db2.gz QLYIQNLJCDCNDK-SECBINFHSA-N 0 1 314.729 0.903 20 5 DCBDMN COc1nc(N2CC[C@H](N)C(F)(F)C2)nc(OC)c1[N+](=O)[O-] ZINC001166960040 772889765 /nfs/dbraw/zinc/88/97/65/772889765.db2.gz GLVAYNVWPAWLFE-LURJTMIESA-N 0 1 319.268 0.575 20 5 DCBDMN CS(C)(=O)=NS(=O)(=O)NCc1ccccc1[N+](=O)[O-] ZINC001208392446 773450654 /nfs/dbraw/zinc/45/06/54/773450654.db2.gz WGEAXMPCAYODPK-UHFFFAOYSA-N 0 1 307.353 0.657 20 5 DCBDMN Cc1cncc([N+](=O)[O-])c1NC(=O)NC[C@H]1CN(C)CCN1C ZINC001216474341 774118240 /nfs/dbraw/zinc/11/82/40/774118240.db2.gz LIJANMNJFPFZSG-NSHDSACASA-N 0 1 322.369 0.087 20 5 DCBDMN CN(CCCNC(=O)Cc1cnc[nH]1)c1ccc([N+](=O)[O-])cn1 ZINC001095746264 775641571 /nfs/dbraw/zinc/64/15/71/775641571.db2.gz KJDQGOVQLBNZKT-UHFFFAOYSA-N 0 1 318.337 0.898 20 5 DCBDMN CC(C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001056913207 943482281 /nfs/dbraw/zinc/48/22/81/943482281.db2.gz JFBRKSAMAMDHDI-VXGBXAGGSA-N 0 1 315.370 0.025 20 5 DCBDMN CC(C)c1cc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n(C)n1 ZINC001491282129 943891109 /nfs/dbraw/zinc/89/11/09/943891109.db2.gz GREJSGDJBNCVIC-MWLCHTKSSA-N 0 1 323.353 0.055 20 5 DCBDMN CCCc1nc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)no1 ZINC001277054045 944643657 /nfs/dbraw/zinc/64/36/57/944643657.db2.gz AVXWZNHYKCFWOA-NXEZZACHSA-N 0 1 323.353 0.426 20 5 DCBDMN NC(=O)COC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001319397635 945577311 /nfs/dbraw/zinc/57/73/11/945577311.db2.gz UPTBZGZRJLKULR-CQSZACIVSA-N 0 1 323.349 0.595 20 5 DCBDMN CC(C)n1cc(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001321056231 946146769 /nfs/dbraw/zinc/14/67/69/946146769.db2.gz COZMOPUWENPQJL-CDJBXZAQSA-N 0 1 322.369 0.286 20 5 DCBDMN CCc1[nH]nc(C(=O)N(C)C[C@@H]2CCN(C(C)=O)C2)c1[N+](=O)[O-] ZINC001321197602 946211151 /nfs/dbraw/zinc/21/11/51/946211151.db2.gz QKDCLTGZOPANEL-JTQLQIEISA-N 0 1 323.353 0.821 20 5 DCBDMN CC(C)(C)N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001322199520 946607287 /nfs/dbraw/zinc/60/72/87/946607287.db2.gz JHZVODXASGJZCL-UHFFFAOYSA-N 0 1 322.365 0.699 20 5 DCBDMN Cc1nc(N2CCN([C@H]3CCC[C@H]3O)CC2)ncc1[N+](=O)[O-] ZINC001324486396 947440103 /nfs/dbraw/zinc/44/01/03/947440103.db2.gz MQAXPAWGDSFAFU-WCQYABFASA-N 0 1 307.354 0.729 20 5 DCBDMN Cc1noc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)n1 ZINC001326822674 948290893 /nfs/dbraw/zinc/29/08/93/948290893.db2.gz ONLCDPUERDNPCP-NXEZZACHSA-N 0 1 309.326 0.172 20 5 DCBDMN Cc1cc(N(C)CCNC(=O)c2ncn[nH]2)ncc1[N+](=O)[O-] ZINC001263679262 948733447 /nfs/dbraw/zinc/73/34/47/948733447.db2.gz KZAQYJLPVSQDCW-UHFFFAOYSA-N 0 1 305.298 0.283 20 5 DCBDMN Cc1cc(N(C)CCNC(=O)c2nc[nH]n2)ncc1[N+](=O)[O-] ZINC001263679262 948733452 /nfs/dbraw/zinc/73/34/52/948733452.db2.gz KZAQYJLPVSQDCW-UHFFFAOYSA-N 0 1 305.298 0.283 20 5 DCBDMN Cc1nc(C)c(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001296064785 951752462 /nfs/dbraw/zinc/75/24/62/951752462.db2.gz JDRJKGOLLOUBRV-NXEZZACHSA-N 0 1 310.310 0.145 20 5 DCBDMN C[C@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CNCCO1 ZINC001333336007 952011913 /nfs/dbraw/zinc/01/19/13/952011913.db2.gz KMIJMPQYLXLHMS-OAHLLOKOSA-N 0 1 305.334 0.858 20 5 DCBDMN O=C(NC[C@@H]1COCCN1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001335215214 952488572 /nfs/dbraw/zinc/48/85/72/952488572.db2.gz BDSCUSHEUXIQQW-CYBMUJFWSA-N 0 1 320.349 0.651 20 5 DCBDMN CS(=O)(=O)CCCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001338343023 952997707 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CCn1ccc(CN(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001319999844 945713832 /nfs/dbraw/zinc/71/38/32/945713832.db2.gz MIAOAKMBRQIBDM-CHWSQXEVSA-N 0 1 309.370 0.458 20 5 DCBDMN Cc1ccnc(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001321053309 946142713 /nfs/dbraw/zinc/14/27/13/946142713.db2.gz XXZRZFPGZKLHJN-JGLYPNHGSA-N 0 1 305.338 0.212 20 5 DCBDMN COC(=O)CC[C@H](N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254586157 946413414 /nfs/dbraw/zinc/41/34/14/946413414.db2.gz HUMZYIXPUVRRFQ-YPMHNXCESA-N 0 1 321.333 0.459 20 5 DCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC2CCOCC2)n1 ZINC001261793320 947438602 /nfs/dbraw/zinc/43/86/02/947438602.db2.gz DYHGPLGQASNCDX-UHFFFAOYSA-N 0 1 318.355 0.423 20 5 DCBDMN C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001326420565 948156102 /nfs/dbraw/zinc/15/61/02/948156102.db2.gz BMXMCSSDEPTPHQ-UWVGGRQHSA-N 0 1 324.337 0.579 20 5 DCBDMN C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001326420565 948156109 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0.832 20 5 DCBDMN CCN(CCNC(=O)c1ccn(C)c1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001356207326 956799695 /nfs/dbraw/zinc/79/96/95/956799695.db2.gz IZVGJZRQXFFKLU-CHWSQXEVSA-N 0 1 322.365 0.577 20 5 DCBDMN CC(C)c1occc1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001292716881 957126586 /nfs/dbraw/zinc/12/65/86/957126586.db2.gz CIFQJSRBISADQE-GHMZBOCLSA-N 0 1 309.322 0.914 20 5 DCBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1=NC(=O)N(C)C1 ZINC001357492497 957299605 /nfs/dbraw/zinc/29/96/05/957299605.db2.gz NIERYLBFCVKKJT-UHFFFAOYSA-N 0 1 306.278 0.973 20 5 DCBDMN CC(C)C1(C(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001357808703 957385539 /nfs/dbraw/zinc/38/55/39/957385539.db2.gz LZDPZOVDDSRGBN-BLDJZWNYSA-N 0 1 309.366 0.876 20 5 DCBDMN CCN(CCNC(=O)c1cc[nH]c(=O)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296288615 957947709 /nfs/dbraw/zinc/94/77/09/957947709.db2.gz OBFXDFPOFSPANH-GHMZBOCLSA-N 0 1 322.321 0.031 20 5 DCBDMN CC(C)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ncc[nH]1 ZINC001296700389 958035387 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CCN(CCNC(=O)c1c(C)ccn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001528827002 1014433397 /nfs/dbraw/zinc/43/33/97/1014433397.db2.gz RHOCUZJDZADTRC-VXGBXAGGSA-N 0 1 322.365 0.577 20 5 DCBDMN CCc1c[nH]c(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n1 ZINC001475678555 1017134137 /nfs/dbraw/zinc/13/41/37/1017134137.db2.gz VFMDHMMHYCVPOR-UHFFFAOYSA-N 0 1 314.327 0.092 20 5 DCBDMN COC[C@@H]1CNCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC001523580348 1014722396 /nfs/dbraw/zinc/72/23/96/1014722396.db2.gz HKOWOLGFBTVVSM-NSHDSACASA-N 0 1 309.322 0.664 20 5 DCBDMN O=C(CCC(F)F)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001530754041 1014924320 /nfs/dbraw/zinc/92/43/20/1014924320.db2.gz YTLAZWZENVLRMA-RKDXNWHRSA-N 0 1 305.281 0.272 20 5 DCBDMN Cc1ccn(C)c1C(=O)N(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001532957063 1015476887 /nfs/dbraw/zinc/47/68/87/1015476887.db2.gz SIWFYYHCEIUOTN-VXGBXAGGSA-N 0 1 322.365 0.529 20 5 DCBDMN CCc1ncoc1C(=O)NCCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001492833696 994239485 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DCBDMN O=C(COc1ccc([N+](=O)[O-])cc1)NCCN1CC[C@H](O)C1 ZINC000600806808 396946111 /nfs/dbraw/zinc/94/61/11/396946111.db2.gz GVJXJYLUNCYXGG-LBPRGKRZSA-N 0 1 309.322 0.156 20 5 DCBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2nn[nH]n2)c1 ZINC000619583319 397153246 /nfs/dbraw/zinc/15/32/46/397153246.db2.gz KMVGQPKIOAICON-UHFFFAOYSA-N 0 1 306.282 0.502 20 5 DCBDMN NC(=O)CC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCCC1 ZINC000598473140 397234917 /nfs/dbraw/zinc/23/49/17/397234917.db2.gz VUHPYQYHYJLBOI-UHFFFAOYSA-N 0 1 309.326 0.874 20 5 DCBDMN CNC(=O)[C@@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000383706545 397278797 /nfs/dbraw/zinc/27/87/97/397278797.db2.gz PNLXYQQFZGCJAV-ZCFIWIBFSA-N 0 1 305.287 0.147 20 5 DCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CCO)C(C)(C)C)n1 ZINC000599239909 397372131 /nfs/dbraw/zinc/37/21/31/397372131.db2.gz UYEBUFWFHBWGAP-VIFPVBQESA-N 0 1 320.371 0.404 20 5 DCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000593854379 397455631 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O=C(OCc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CC1[N+](=O)[O-] ZINC001606976988 1170344193 /nfs/dbraw/zinc/34/41/93/1170344193.db2.gz ATIKDEJFMNXBRS-PSASIEDQSA-N 0 1 307.241 0.714 20 5 DCBDMN O=[N+]([O-])c1cn(CCOC[C@@H]2CCCO2)nc1-c1nn[nH]n1 ZINC001607084884 1170383635 /nfs/dbraw/zinc/38/36/35/1170383635.db2.gz DLSKWFCZOFTKDK-QMMMGPOBSA-N 0 1 309.286 0.167 20 5 DCBDMN CO[C@@H]1COCC[C@H]1N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001620540557 1171403337 /nfs/dbraw/zinc/40/33/37/1171403337.db2.gz RPKNINUNWACOJV-TZMCWYRMSA-N 0 1 323.349 0.929 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CC(Cc3cnn(C)c3)C2)c1[N+](=O)[O-] ZINC001630729029 1171578927 /nfs/dbraw/zinc/57/89/27/1171578927.db2.gz UYTGVJAPCKBJGP-UHFFFAOYSA-N 0 1 304.310 0.675 20 5 DCBDMN CNc1ccc(C(=O)NC[C@@H](O)c2cnc[nH]2)cc1[N+](=O)[O-] ZINC001634631221 1171681137 /nfs/dbraw/zinc/68/11/37/1171681137.db2.gz NLPOZJXMQRRHON-GFCCVEGCSA-N 0 1 305.294 0.823 20 5 DCBDMN O=C(CCc1c[nH]nn1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001638638688 1171803172 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DCBDMN COc1cccc(C(=O)N2CC[C@@H](c3nn[nH]n3)C2)c1[N+](=O)[O-] ZINC001644299694 1172001374 /nfs/dbraw/zinc/00/13/74/1172001374.db2.gz SSZATEXMCCBALK-MRVPVSSYSA-N 0 1 318.293 0.746 20 5 DCBDMN CSc1cccc(C(=O)NCc2n[nH]c(CO)n2)c1[N+](=O)[O-] ZINC001646103298 1172254433 /nfs/dbraw/zinc/25/44/33/1172254433.db2.gz NACXKGBXSUVRCE-UHFFFAOYSA-N 0 1 323.334 0.857 20 5 DCBDMN CSc1cccc(C(=O)NCc2nnc(CO)[nH]2)c1[N+](=O)[O-] ZINC001646103298 1172254440 /nfs/dbraw/zinc/25/44/40/1172254440.db2.gz NACXKGBXSUVRCE-UHFFFAOYSA-N 0 1 323.334 0.857 20 5 DCBDMN COc1cc(C(=O)NCc2n[nH]c(C)n2)c([N+](=O)[O-])cc1OC ZINC001646416842 1172373762 /nfs/dbraw/zinc/37/37/62/1172373762.db2.gz UXTKWHIWFUNYFT-UHFFFAOYSA-N 0 1 321.293 0.969 20 5 DCBDMN CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001651182913 1173741776 /nfs/dbraw/zinc/74/17/76/1173741776.db2.gz XFTZHWWXKUXGSF-LBPRGKRZSA-N 0 1 317.305 0.405 20 5 DCBDMN C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])O2)CO1 ZINC001652105065 1173762626 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ZINC001610800072 1171329647 /nfs/dbraw/zinc/32/96/47/1171329647.db2.gz FGFGYSHLBJEHMS-UHFFFAOYSA-N 0 1 321.293 0.440 20 5 DCBDMN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1CS(N)(=O)=O ZINC001620627257 1171405178 /nfs/dbraw/zinc/40/51/78/1171405178.db2.gz QALKZHFCVPQVEA-PWSUYJOCSA-N 0 1 313.379 0.951 20 5 DCBDMN O=C(NC1CN(c2ccncn2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001632570975 1171619314 /nfs/dbraw/zinc/61/93/14/1171619314.db2.gz VKKWLHZCPZOOMV-UHFFFAOYSA-N 0 1 315.289 0.709 20 5 DCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](Cc2nn[nH]n2)C1 ZINC001634663889 1171684270 /nfs/dbraw/zinc/68/42/70/1171684270.db2.gz XGGXWMWHOMYHRI-SECBINFHSA-N 0 1 319.325 0.541 20 5 DCBDMN O=C(NCCS(=O)(=O)C1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001639194332 1171825064 /nfs/dbraw/zinc/82/50/64/1171825064.db2.gz NVVXTTLCYYBJGV-UHFFFAOYSA-N 0 1 314.319 0.607 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[C@@](O)(C(F)F)C2)c1[N+](=O)[O-] ZINC001641044682 1171904582 /nfs/dbraw/zinc/90/45/82/1171904582.db2.gz DRHNADAYIKIPNZ-NSHDSACASA-N 0 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Cc1cccc(C[C@@H](CO)NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000191122341 524467161 /nfs/dbraw/zinc/46/71/61/524467161.db2.gz ADLXCKUIDXDMCB-NSHDSACASA-N 0 1 304.306 0.960 20 5 DCBDMN C[C@H](O)C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000189681547 525764017 /nfs/dbraw/zinc/76/40/17/525764017.db2.gz UBEXNEIKVBXCMJ-JTQLQIEISA-N 0 1 309.322 0.439 20 5 DCBDMN C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H](C)C1 ZINC000189549010 525791584 /nfs/dbraw/zinc/79/15/84/525791584.db2.gz NMTUFHLFKIAMQK-GHMZBOCLSA-N 0 1 323.349 0.828 20 5 DCBDMN C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H](C)C1 ZINC000189549010 525791593 /nfs/dbraw/zinc/79/15/93/525791593.db2.gz NMTUFHLFKIAMQK-GHMZBOCLSA-N 0 1 323.349 0.828 20 5 DCBDMN Cc1n[nH]c(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000267121108 526823047 /nfs/dbraw/zinc/82/30/47/526823047.db2.gz DJVOHBMWQUZOHH-UHFFFAOYSA-N 0 1 320.265 0.902 20 5 DCBDMN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCNCC1 ZINC000237886586 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Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000787141969 669353730 /nfs/dbraw/zinc/35/37/30/669353730.db2.gz SZALGMDETHKTCS-QMMMGPOBSA-N 0 1 317.309 0.710 20 5 DCBDMN O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839873292 670034062 /nfs/dbraw/zinc/03/40/62/670034062.db2.gz VECDYYZPYWLSAT-IJLUTSLNSA-N 0 1 307.281 0.712 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCO[C@@H](C(F)F)C2)c1[N+](=O)[O-] ZINC000801421617 670128302 /nfs/dbraw/zinc/12/83/02/670128302.db2.gz BCSWEPWHFHURIL-SSDOTTSWSA-N 0 1 304.253 0.986 20 5 DCBDMN O=C(NCC1CCN(C(=O)c2ccoc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000948775114 670178924 /nfs/dbraw/zinc/17/89/24/670178924.db2.gz WUKXDGDRPBRXKD-CHWSQXEVSA-N 0 1 321.333 0.913 20 5 DCBDMN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCCc1nc[nH]n1 ZINC000807989668 670384445 /nfs/dbraw/zinc/38/44/45/670384445.db2.gz NDQFVDWPMIWIIN-UHFFFAOYSA-N 0 1 308.273 0.797 20 5 DCBDMN CCN(CC)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840306115 670664859 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DCBDMN CCN(CCCNC(=O)c1cnccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001577450389 1164692836 /nfs/dbraw/zinc/69/28/36/1164692836.db2.gz MHKCCSNGSPFYDA-ZYHUDNBSSA-N 0 1 321.337 0.110 20 5 DCBDMN O=[N+]([O-])c1cnc2ccc(F)cc2c1N[C@@H](CO)c1c[nH]nn1 ZINC001578051131 1164907719 /nfs/dbraw/zinc/90/77/19/1164907719.db2.gz JOHHXGBMRKVYRF-NSHDSACASA-N 0 1 318.268 0.968 20 5 DCBDMN NC1(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)COC1 ZINC001580140598 1165517729 /nfs/dbraw/zinc/51/77/29/1165517729.db2.gz GEYUPPJHIYMPCI-UHFFFAOYSA-N 0 1 320.349 0.361 20 5 DCBDMN Cc1nnsc1[C@@H](C)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001581621902 1165851955 /nfs/dbraw/zinc/85/19/55/1165851955.db2.gz IUBCEELMGXWFSZ-RXMQYKEDSA-N 0 1 307.299 0.741 20 5 DCBDMN O=C(NCC1CN(C(=O)C2(CCF)CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001582173004 1165977402 /nfs/dbraw/zinc/97/74/02/1165977402.db2.gz WDOKKQIYMQPNMC-GHMZBOCLSA-N 0 1 313.329 0.366 20 5 DCBDMN C[C@H](Nc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-])c1nnc[nH]1 ZINC001589990060 1166738219 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Nc1nc(NC[C@@H]2CCN2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000596559144 416584954 /nfs/dbraw/zinc/58/49/54/416584954.db2.gz XHBYOKZLOJAKBV-LBPRGKRZSA-N 0 1 314.349 1.075 20 5 DCBDMN Nc1c(C(=O)N2CC[C@H](c3nc[nH]n3)C2)cccc1[N+](=O)[O-] ZINC000425063114 416682926 /nfs/dbraw/zinc/68/29/26/416682926.db2.gz FEAYLSRWMXUIMU-QMMMGPOBSA-N 0 1 302.294 0.925 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[NH2+][C@H]2C)c([N+](=O)[O-])n1 ZINC000440816904 416649943 /nfs/dbraw/zinc/64/99/43/416649943.db2.gz AZQMBRBTFXWVGE-DTWKUNHWSA-N 0 1 317.371 0.230 20 5 DCBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCc2n[nH]nc2C1 ZINC000429298677 416959242 /nfs/dbraw/zinc/95/92/42/416959242.db2.gz FMCIMNXOEOIIEG-SNVBAGLBSA-N 0 1 319.321 0.511 20 5 DCBDMN O=C1NCC[C@@H]1CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000565174484 416933897 /nfs/dbraw/zinc/93/38/97/416933897.db2.gz QWOKGMUVGUXGOP-GFCCVEGCSA-N 0 1 319.365 0.638 20 5 DCBDMN COc1ccc(CNC2(C(N)=O)CCOCC2)cc1[N+](=O)[O-] ZINC000616141893 416971960 /nfs/dbraw/zinc/97/19/60/416971960.db2.gz VIAXBYHWGLUCPB-UHFFFAOYSA-N 0 1 309.322 0.728 20 5 DCBDMN [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000521252239 416999175 /nfs/dbraw/zinc/99/91/75/416999175.db2.gz DDIXRUJZBQODDI-LBPRGKRZSA-N 0 1 320.357 0.179 20 5 DCBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CO)[C@H]1CCCO1 ZINC000447900555 417036917 /nfs/dbraw/zinc/03/69/17/417036917.db2.gz CQACBOGSWHCMQP-UONOGXRCSA-N 0 1 323.349 0.971 20 5 DCBDMN O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H](O)C(F)(F)F ZINC000616459133 417053885 /nfs/dbraw/zinc/05/38/85/417053885.db2.gz GUIMIWIYBNDLAN-ZCFIWIBFSA-N 0 1 315.229 0.191 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCOC[C@@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000408102893 417140249 /nfs/dbraw/zinc/14/02/49/417140249.db2.gz DTOVUPWWPOZRJY-NXEZZACHSA-N 0 1 310.310 0.646 20 5 DCBDMN CO[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000451748619 417390515 /nfs/dbraw/zinc/39/05/15/417390515.db2.gz JFQDDJHDYINYOF-IACUBPJLSA-N 0 1 312.322 0.026 20 5 DCBDMN O=[N+]([O-])c1ncccc1S(=O)(=O)NCCOC(F)(F)F ZINC000530494127 417579805 /nfs/dbraw/zinc/57/98/05/417579805.db2.gz XMHSKDDWTAIFEW-UHFFFAOYSA-N 0 1 315.229 0.805 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-][C@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])n1 ZINC000576636677 417624991 /nfs/dbraw/zinc/62/49/91/417624991.db2.gz MRCQYTCKYCRWRX-HTQZYQBOSA-N 0 1 305.360 0.215 20 5 DCBDMN NC(=O)NC[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000356064599 261387643 /nfs/dbraw/zinc/38/76/43/261387643.db2.gz HMKRWYDSUQPTQH-VIFPVBQESA-N 0 1 322.321 0.821 20 5 DCBDMN COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356097904 261391512 /nfs/dbraw/zinc/39/15/12/261391512.db2.gz VDOMGZLSEIDLHU-VXGBXAGGSA-N 0 1 324.289 0.703 20 5 DCBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H](C)c1nn[nH]n1 ZINC000358413620 261665853 /nfs/dbraw/zinc/66/58/53/261665853.db2.gz OBNSPTRNVFWOJU-QMMMGPOBSA-N 0 1 320.309 0.992 20 5 DCBDMN O=C(N[C@H]1CN(c2ccccc2)C1=O)c1n[nH]cc1[N+](=O)[O-] ZINC000363671651 262126711 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CCCc1[nH]nc(C(=O)N(C)[C@H]2CCC(=O)N(C)C2)c1[N+](=O)[O-] ZINC000580415325 337399589 /nfs/dbraw/zinc/39/95/89/337399589.db2.gz VVJYJMXWLJKYBD-VIFPVBQESA-N 0 1 323.353 0.963 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccn(CC)n1 ZINC001567332861 1160314575 /nfs/dbraw/zinc/31/45/75/1160314575.db2.gz GFMFXRDGYINCGQ-CHWSQXEVSA-N 0 1 309.370 0.506 20 5 DCBDMN CC(C)CN1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000161672578 519724171 /nfs/dbraw/zinc/72/41/71/519724171.db2.gz RJDHVUVUXCMIPT-UHFFFAOYSA-N 0 1 324.385 0.775 20 5 DCBDMN C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000249390698 525762567 /nfs/dbraw/zinc/76/25/67/525762567.db2.gz YJDSHCMLQZRKDA-MNOVXSKESA-N 0 1 323.349 0.828 20 5 DCBDMN C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000249390698 525762578 /nfs/dbraw/zinc/76/25/78/525762578.db2.gz YJDSHCMLQZRKDA-MNOVXSKESA-N 0 1 323.349 0.828 20 5 DCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN(CCO)Cc2cccnc2)c1 ZINC000156796991 527415997 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ZINC000967782985 690073220 /nfs/dbraw/zinc/07/32/20/690073220.db2.gz OLYHHKTUNRZHME-GHMZBOCLSA-N 0 1 322.321 0.321 20 5 DCBDMN O=C(CCc1ccco1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001010311502 691217141 /nfs/dbraw/zinc/21/71/41/691217141.db2.gz DNKUHVPOXZOEAM-CHWSQXEVSA-N 0 1 321.333 0.548 20 5 DCBDMN O=C(C(F)F)N1CC2(C1)CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001010457204 691285039 /nfs/dbraw/zinc/28/50/39/691285039.db2.gz BGHIGNKPPDDYAZ-RKDXNWHRSA-N 0 1 317.292 0.368 20 5 DCBDMN O=C(NCC1=CCN(C(=O)C(F)F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001017440276 692916250 /nfs/dbraw/zinc/91/62/50/692916250.db2.gz DHCWRAUNPMXCQT-RKDXNWHRSA-N 0 1 303.265 0.192 20 5 DCBDMN O=C(CCC(F)F)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001687295954 1157537607 /nfs/dbraw/zinc/53/76/07/1157537607.db2.gz MLSBNVUHEPRDAN-NXEZZACHSA-N 0 1 319.308 0.804 20 5 DCBDMN CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001691441350 1157731929 /nfs/dbraw/zinc/73/19/29/1157731929.db2.gz OCHWJVIIRHXOOT-GDNZZTSVSA-N 0 1 321.381 0.922 20 5 DCBDMN CCCSCC(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001745065508 1157732260 /nfs/dbraw/zinc/73/22/60/1157732260.db2.gz HXMDVMWEVNPIBH-NXEZZACHSA-N 0 1 303.384 0.369 20 5 DCBDMN Cc1cocc1C(=O)N(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001745512784 1158033215 /nfs/dbraw/zinc/03/32/15/1158033215.db2.gz ZUGDEFRRXKABKG-DGCLKSJQSA-N 0 1 321.333 0.974 20 5 DCBDMN O=C(NCCNC(=O)C1(C(F)(F)F)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001720088835 1158942651 /nfs/dbraw/zinc/94/26/51/1158942651.db2.gz KMTGFRCPSZMZKK-HTQZYQBOSA-N 0 1 323.271 0.617 20 5 DCBDMN O=C(CC(F)(F)F)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001572052309 1163007235 /nfs/dbraw/zinc/00/72/35/1163007235.db2.gz HEBTWPIRVKKIMD-FNCVBFRFSA-N 0 1 323.271 0.615 20 5 DCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCSC[C@@H]1c1nn[nH]n1 ZINC001567809134 1160486722 /nfs/dbraw/zinc/48/67/22/1160486722.db2.gz OJDKXVKKEYEILT-SECBINFHSA-N 0 1 323.338 0.377 20 5 DCBDMN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCCCN2CCO)n1 ZINC001569435474 1161057623 /nfs/dbraw/zinc/05/76/23/1161057623.db2.gz JWVDKWVLTSSTPQ-GFCCVEGCSA-N 0 1 322.365 0.875 20 5 DCBDMN CN(CCCNC(=O)CC(F)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001576833382 1164485314 /nfs/dbraw/zinc/48/53/14/1164485314.db2.gz VYPZBXQUXZKYAE-HTQZYQBOSA-N 0 1 311.260 0.569 20 5 DCBDMN Cc1cc(C)c(C(=O)N(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])[nH]1 ZINC001577035931 1164589345 /nfs/dbraw/zinc/58/93/45/1164589345.db2.gz WYCSRKWGWNNEOC-VXGBXAGGSA-N 0 1 322.365 0.875 20 5 DCBDMN O=C(N[C@H](c1c[nH]nn1)c1ccc(F)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001577972626 1164871651 /nfs/dbraw/zinc/87/16/51/1164871651.db2.gz MZIDXTZOFNKPDQ-JLLWLGSASA-N 0 1 305.269 0.815 20 5 DCBDMN O=C(C[C@@H]1COCCN1)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001580517220 1165628536 /nfs/dbraw/zinc/62/85/36/1165628536.db2.gz IPEYOTYPQKCJNQ-SECBINFHSA-N 0 1 315.276 0.868 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ncccc1F ZINC001581082322 1165784180 /nfs/dbraw/zinc/78/41/80/1165784180.db2.gz IOHRJRRETPRZEE-MWLCHTKSSA-N 0 1 324.312 0.464 20 5 DCBDMN O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc2cncn2c1 ZINC001583389283 1166249412 /nfs/dbraw/zinc/24/94/12/1166249412.db2.gz LYDASGKSICYJEL-UHFFFAOYSA-N 0 1 300.278 0.755 20 5 DCBDMN CC(C)(C)NS(=O)(=O)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001583532666 1166266381 /nfs/dbraw/zinc/26/63/81/1166266381.db2.gz DMTBHNMBYGQZEO-RKDXNWHRSA-N 0 1 319.383 0.018 20 5 DCBDMN O=[N+]([O-])c1cccc(OCCn2cnc(-c3nn[nH]n3)n2)c1 ZINC001593484028 1167867883 /nfs/dbraw/zinc/86/78/83/1167867883.db2.gz PCOYDVHFUHFMPI-UHFFFAOYSA-N 0 1 302.254 0.445 20 5 DCBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@H+](C)CC(=O)[O-] ZINC001600021417 1168099327 /nfs/dbraw/zinc/09/93/27/1168099327.db2.gz MUYMHPQDDYEOEX-UHFFFAOYSA-N 0 1 313.285 0.789 20 5 DCBDMN Cc1nn(C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001600789099 1168296357 /nfs/dbraw/zinc/29/63/57/1168296357.db2.gz MIAUZISGUJYWHD-GXFFZTMASA-N 0 1 310.310 0.480 20 5 DCBDMN Cc1nn(C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC001600789101 1168296903 /nfs/dbraw/zinc/29/69/03/1168296903.db2.gz MIXYXZGPJRIEFZ-SMDDNHRTSA-N 0 1 324.337 0.789 20 5 DCBDMN CC[C@H](C)NC(=O)[C@@H](C)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001604006546 1169470525 /nfs/dbraw/zinc/47/05/25/1169470525.db2.gz FVQUHYGOTIAFRR-NKWVEPMBSA-N 0 1 308.302 0.447 20 5 DCBDMN CO[C@H](Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1)[C@H]1CCOC1 ZINC001605013182 1169778683 /nfs/dbraw/zinc/77/86/83/1169778683.db2.gz WCXYZYADOWAUSN-IONNQARKSA-N 0 1 309.286 0.023 20 5 DCBDMN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)CC(=O)[O-] ZINC001606130427 1170088407 /nfs/dbraw/zinc/08/84/07/1170088407.db2.gz BHZDHCJVAJNLHV-UHFFFAOYSA-N 0 1 324.337 0.407 20 5 DCBDMN O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1NCCCc1nc[nH]n1 ZINC001607081217 1170384143 /nfs/dbraw/zinc/38/41/43/1170384143.db2.gz BQNVDKJHMHSNRL-UHFFFAOYSA-N 0 1 315.297 0.938 20 5 DCBDMN CN(CCc1ccccc1[N+](=O)[O-])C(=O)CCc1nn[nH]n1 ZINC001627150446 1171499068 /nfs/dbraw/zinc/49/90/68/1171499068.db2.gz DXVGGFVCOLJUCD-UHFFFAOYSA-N 0 1 304.310 0.742 20 5 DCBDMN COC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1nn[nH]n1 ZINC001634622338 1171681495 /nfs/dbraw/zinc/68/14/95/1171681495.db2.gz PFBJFOODWUKPMX-JTQLQIEISA-N 0 1 320.309 0.842 20 5 DCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](Cc2nn[nH]n2)C1 ZINC001634663890 1171684240 /nfs/dbraw/zinc/68/42/40/1171684240.db2.gz XGGXWMWHOMYHRI-VIFPVBQESA-N 0 1 319.325 0.541 20 5 DCBDMN CCOC(=O)c1ccc(NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nc1 ZINC001637420177 1171766188 /nfs/dbraw/zinc/76/61/88/1171766188.db2.gz BJLLGFSXVFPANM-GHMZBOCLSA-N 0 1 322.321 0.452 20 5 DCBDMN O=C(NCc1n[nH]c(CO)n1)c1cc([N+](=O)[O-])ccc1Cl ZINC001641004407 1171903228 /nfs/dbraw/zinc/90/32/28/1171903228.db2.gz PPOGLQZAWLMIBA-UHFFFAOYSA-N 0 1 311.685 0.789 20 5 DCBDMN O=C(NCc1nnc(CO)[nH]1)c1cc([N+](=O)[O-])ccc1Cl ZINC001641004407 1171903233 /nfs/dbraw/zinc/90/32/33/1171903233.db2.gz PPOGLQZAWLMIBA-UHFFFAOYSA-N 0 1 311.685 0.789 20 5 DCBDMN CNC(=O)NC1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC001642785989 1171956025 /nfs/dbraw/zinc/95/60/25/1171956025.db2.gz XLARBEHPJLWDQO-UHFFFAOYSA-N 0 1 310.314 0.160 20 5 DCBDMN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H](c2nn[nH]n2)C1 ZINC001644300578 1172004559 /nfs/dbraw/zinc/00/45/59/1172004559.db2.gz ZXVMYKQAFAVFKD-JTQLQIEISA-N 0 1 302.294 0.667 20 5 DCBDMN CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC001648588543 1173077320 /nfs/dbraw/zinc/07/73/20/1173077320.db2.gz KKPCWHKEPJECTP-JTQLQIEISA-N 0 1 324.337 0.270 20 5 DCBDMN CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC001648588543 1173077326 /nfs/dbraw/zinc/07/73/26/1173077326.db2.gz KKPCWHKEPJECTP-JTQLQIEISA-N 0 1 324.337 0.270 20 5 DCBDMN Cn1nc2c(c1CNCCn1cc([N+](=O)[O-])cn1)COCC2 ZINC001650716470 1173730623 /nfs/dbraw/zinc/73/06/23/1173730623.db2.gz FJUSCOQTBSWJAL-UHFFFAOYSA-N 0 1 306.326 0.387 20 5 DCBDMN O=C(CN1CCCC1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001651489027 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Cc1nc(C)c(C(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001689281696 1176791697 /nfs/dbraw/zinc/79/16/97/1176791697.db2.gz PKDUGGPGVWHNAS-YIZUVKHSSA-N 0 1 322.321 0.359 20 5 DCBDMN Cc1cc(C)c(C(=O)NC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001689285549 1176794558 /nfs/dbraw/zinc/79/45/58/1176794558.db2.gz GKHYVRLDDHNPDV-OPVGQWETSA-N 0 1 321.333 0.964 20 5 DCBDMN CCc1oncc1C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001689325776 1176826958 /nfs/dbraw/zinc/82/69/58/1176826958.db2.gz CSKSFQLHMGFJJI-IDFWJGBYSA-N 0 1 322.321 0.304 20 5 DCBDMN O=C(NCC1(O)CN(Cc2ccccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001699913411 1178370944 /nfs/dbraw/zinc/37/09/44/1178370944.db2.gz VSIKJLDBDLIGOI-DGCLKSJQSA-N 0 1 323.324 0.154 20 5 DCBDMN CC(=O)N1CCC(OCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001701262903 1178972525 /nfs/dbraw/zinc/97/25/25/1178972525.db2.gz ZXTUGFCTYRBFKS-CHWSQXEVSA-N 0 1 313.354 0.185 20 5 DCBDMN CCc1cc(C(=O)NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001703364321 1179502348 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DCBDMN CN(CCCNCC(F)(F)C(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001498545210 1019213335 /nfs/dbraw/zinc/21/33/35/1019213335.db2.gz GKLVAQNWVAFDTH-HTQZYQBOSA-N 0 1 315.267 0.990 20 5 DCBDMN CNC(=O)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000299387679 529858747 /nfs/dbraw/zinc/85/87/47/529858747.db2.gz IPXCNXIHFPQYPM-UHFFFAOYSA-N 0 1 305.287 0.148 20 5 DCBDMN O=C1CCCN1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174848372 198393343 /nfs/dbraw/zinc/39/33/43/198393343.db2.gz PUHORHGMUWTQAG-UHFFFAOYSA-N 0 1 307.354 0.878 20 5 DCBDMN CCN1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H](C)C1=O ZINC000428738143 240373220 /nfs/dbraw/zinc/37/32/20/240373220.db2.gz CWZBIGSVVLBMMV-SECBINFHSA-N 0 1 307.306 0.993 20 5 DCBDMN COCC[NH+]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000567981503 291394905 /nfs/dbraw/zinc/39/49/05/291394905.db2.gz MLBVLDKULRWLCG-UHFFFAOYSA-N 0 1 310.310 0.456 20 5 DCBDMN COC(=O)[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000282477003 217023334 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CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)O[C@H](CO)C2)c1[N+](=O)[O-] ZINC000347544744 254166489 /nfs/dbraw/zinc/16/64/89/254166489.db2.gz KUXDLHPHXWFZLH-BDAKNGLRSA-N 0 1 312.326 0.663 20 5 DCBDMN CCCc1[nH]nc(C(=O)N(C)CCS(C)(=O)=O)c1[N+](=O)[O-] ZINC000109626344 395798036 /nfs/dbraw/zinc/79/80/36/395798036.db2.gz VXDIYNUFZDOVDR-UHFFFAOYSA-N 0 1 318.355 0.387 20 5 DCBDMN C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000272478768 395894190 /nfs/dbraw/zinc/89/41/90/395894190.db2.gz QKKBGTNCHFSGDS-NSHDSACASA-N 0 1 321.381 0.543 20 5 DCBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC(N)=O ZINC000052831007 395870875 /nfs/dbraw/zinc/87/08/75/395870875.db2.gz GLUFADXZGWGDLL-UHFFFAOYSA-N 0 1 310.310 0.349 20 5 DCBDMN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000134976154 395936261 /nfs/dbraw/zinc/93/62/61/395936261.db2.gz TZOIQKUQVUGIHZ-SKDRFNHKSA-N 0 1 309.322 0.749 20 5 DCBDMN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000134976154 395936263 /nfs/dbraw/zinc/93/62/63/395936263.db2.gz TZOIQKUQVUGIHZ-SKDRFNHKSA-N 0 1 309.322 0.749 20 5 DCBDMN COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000274317664 395938698 /nfs/dbraw/zinc/93/86/98/395938698.db2.gz WITVNSNRUFQWFW-SCSAIBSYSA-N 0 1 310.188 0.542 20 5 DCBDMN COC[C@@](C)(NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)OC ZINC000274844705 395981652 /nfs/dbraw/zinc/98/16/52/395981652.db2.gz SNIDCFHQUVDUMU-CYBMUJFWSA-N 0 1 312.278 0.608 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000275051986 395984048 /nfs/dbraw/zinc/98/40/48/395984048.db2.gz SLFDWGHGBWNOFI-VIFPVBQESA-N 0 1 309.326 0.573 20 5 DCBDMN CN1CCN(CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000067511366 396027688 /nfs/dbraw/zinc/02/76/88/396027688.db2.gz UFPLIELTQLXZMX-QPJJXVBHSA-N 0 1 318.377 0.972 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCCN(C(=O)C(C)C)CC2)c1[N+](=O)[O-] ZINC000069498220 396081532 /nfs/dbraw/zinc/08/15/32/396081532.db2.gz VCCYCYNRZQBKKW-UHFFFAOYSA-N 0 1 323.353 0.957 20 5 DCBDMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000264450018 396281124 /nfs/dbraw/zinc/28/11/24/396281124.db2.gz PKKRYCJYDCGPDU-LBPRGKRZSA-N 0 1 306.366 0.961 20 5 DCBDMN O=[N+]([O-])c1ccc(N2CCN(CCCO)CC2)c2nonc21 ZINC000263714103 396225938 /nfs/dbraw/zinc/22/59/38/396225938.db2.gz AFABANQLTNWUCC-UHFFFAOYSA-N 0 1 307.310 0.635 20 5 DCBDMN C[C@@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000186840517 396358995 /nfs/dbraw/zinc/35/89/95/396358995.db2.gz QNEKDNPVCIDMDD-SNVBAGLBSA-N 0 1 309.322 0.439 20 5 DCBDMN Cc1n[nH]c(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000266208532 396350802 /nfs/dbraw/zinc/35/08/02/396350802.db2.gz JETRCWQHAHIHRW-RKDXNWHRSA-N 0 1 311.342 0.153 20 5 DCBDMN C[C@]1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCS(=O)(=O)C1 ZINC000269102075 396385875 /nfs/dbraw/zinc/38/58/75/396385875.db2.gz AEAZPBLXTZMWLQ-LBPRGKRZSA-N 0 1 314.319 0.607 20 5 DCBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000291250665 396481651 /nfs/dbraw/zinc/48/16/51/396481651.db2.gz MQMLUMRFXNFDCL-RNFRBKRXSA-N 0 1 316.339 0.274 20 5 DCBDMN CNS(=O)(=O)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293975451 396645833 /nfs/dbraw/zinc/64/58/33/396645833.db2.gz AZOSSIVBPANTAP-QMMMGPOBSA-N 0 1 302.356 0.377 20 5 DCBDMN C[C@H]1NCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@H]1C ZINC000581884303 396590515 /nfs/dbraw/zinc/59/05/15/396590515.db2.gz DMXLSVFPEDADDJ-BDAKNGLRSA-N 0 1 300.340 0.361 20 5 DCBDMN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CO)CN2CCCC2)c1 ZINC000588870387 396696611 /nfs/dbraw/zinc/69/66/11/396696611.db2.gz YXXUYTQFRZVLIN-NSHDSACASA-N 0 1 323.349 0.790 20 5 DCBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1c[nH]nn1 ZINC000589414301 396714290 /nfs/dbraw/zinc/71/42/90/396714290.db2.gz ABQOUIPYBPTONC-UHFFFAOYSA-N 0 1 318.293 0.530 20 5 DCBDMN O=c1nc(CCCNc2nc3sccn3c2[N+](=O)[O-])[nH][nH]1 ZINC000301430984 396716271 /nfs/dbraw/zinc/71/62/71/396716271.db2.gz JUCFQSKECFYQLV-UHFFFAOYSA-N 0 1 309.311 0.760 20 5 DCBDMN NC(=O)c1ccnc(N[C@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000589573799 396718472 /nfs/dbraw/zinc/71/84/72/396718472.db2.gz KKGNXKWNOGWGOQ-JTQLQIEISA-N 0 1 305.338 0.985 20 5 DCBDMN CN(Cc1nnc[nH]1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000315179612 396789126 /nfs/dbraw/zinc/78/91/26/396789126.db2.gz TYPJFMFXFVLKCE-UHFFFAOYSA-N 0 1 315.286 0.673 20 5 DCBDMN CN(C[C@@H](O)C(F)(F)F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305780686 396753007 /nfs/dbraw/zinc/75/30/07/396753007.db2.gz TUNMGOXWWPZBAB-DTWKUNHWSA-N 0 1 312.248 0.007 20 5 DCBDMN COc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CC[C@@H](O)C1 ZINC000600532971 396885400 /nfs/dbraw/zinc/88/54/00/396885400.db2.gz IYFABBWWGMNMQU-LLVKDONJSA-N 0 1 309.322 0.400 20 5 DCBDMN CC(=O)NC[C@@H]1CCCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000600813453 396949298 /nfs/dbraw/zinc/94/92/98/396949298.db2.gz XDXWARACNMKFHN-JTQLQIEISA-N 0 1 309.326 0.757 20 5 DCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC2(CN(C)C2)C1 ZINC000619252008 397104185 /nfs/dbraw/zinc/10/41/85/397104185.db2.gz XXRFGTCOPUPNGI-UHFFFAOYSA-N 0 1 307.354 0.654 20 5 DCBDMN C[C@@H]1COCCN1C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000597679497 397059963 /nfs/dbraw/zinc/05/99/63/397059963.db2.gz YQNHDJBIXABLOL-SNVBAGLBSA-N 0 1 323.353 0.643 20 5 DCBDMN CCOC(=O)C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(F)(F)F ZINC000598045311 397164096 /nfs/dbraw/zinc/16/40/96/397164096.db2.gz AUZMFQCCYFGVAB-LURJTMIESA-N 0 1 324.215 0.932 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000598175243 397183630 /nfs/dbraw/zinc/18/36/30/397183630.db2.gz KLYKOCVRQRKJPO-SCZZXKLOSA-N 0 1 321.337 0.621 20 5 DCBDMN COC(=O)c1ccnc(N2CC[C@H](c3nc[nH]n3)C2)c1[N+](=O)[O-] ZINC000598629884 397264184 /nfs/dbraw/zinc/26/41/84/397264184.db2.gz BKZWGVYLNQNEKW-QMMMGPOBSA-N 0 1 318.293 0.888 20 5 DCBDMN COCCOC[C@H](O)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000578128016 397392859 /nfs/dbraw/zinc/39/28/59/397392859.db2.gz ZXHIIAYQAZRVMV-LLVKDONJSA-N 0 1 324.337 0.585 20 5 DCBDMN O=C1N=NCN1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000578664308 397468744 /nfs/dbraw/zinc/46/87/44/397468744.db2.gz JHFCMZYIUUJWII-UHFFFAOYSA-N 0 1 307.314 0.426 20 5 DCBDMN COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000609280446 397768423 /nfs/dbraw/zinc/76/84/23/397768423.db2.gz PNNWVPFTSROPSO-SNVBAGLBSA-N 0 1 324.337 0.536 20 5 DCBDMN COCC[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000609280446 397768426 /nfs/dbraw/zinc/76/84/26/397768426.db2.gz PNNWVPFTSROPSO-SNVBAGLBSA-N 0 1 324.337 0.536 20 5 DCBDMN O=C(NC[C@H](O)COc1ccc(F)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000119088106 158182965 /nfs/dbraw/zinc/18/29/65/158182965.db2.gz RHBKIFXMPBWYGU-VIFPVBQESA-N 0 1 324.268 0.627 20 5 DCBDMN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCNC1=O ZINC000340223284 159221162 /nfs/dbraw/zinc/22/11/62/159221162.db2.gz QAEIWGRPMWOBHI-LBPRGKRZSA-N 0 1 306.322 0.744 20 5 DCBDMN O=C(CCNc1ccccc1[N+](=O)[O-])NC1(c2nn[nH]n2)CC1 ZINC000348283112 159238722 /nfs/dbraw/zinc/23/87/22/159238722.db2.gz XUTBHBAFKYVWOE-UHFFFAOYSA-N 0 1 317.309 0.715 20 5 DCBDMN CNC(=O)N[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000342364024 415154896 /nfs/dbraw/zinc/15/48/96/415154896.db2.gz PCBFWHTVNCFTGY-NSHDSACASA-N 0 1 308.338 0.977 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000265579992 415130849 /nfs/dbraw/zinc/13/08/49/415130849.db2.gz WIBFKGGHNOMSAY-HTQZYQBOSA-N 0 1 316.339 0.274 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N(C)CCS(C)(=O)=O)c1[N+](=O)[O-] ZINC000269453817 415252997 /nfs/dbraw/zinc/25/29/97/415252997.db2.gz RJNKJZRIAOPQTP-UHFFFAOYSA-N 0 1 318.355 0.558 20 5 DCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000332122322 415255532 /nfs/dbraw/zinc/25/55/32/415255532.db2.gz WXXVKJYALXATMQ-LLVKDONJSA-N 0 1 323.353 0.123 20 5 DCBDMN O=C(N[C@@H]1CC[S@](=O)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000342729572 415273188 /nfs/dbraw/zinc/27/31/88/415273188.db2.gz GDJOWIIIBBMDSY-QFWYVNQISA-N 0 1 308.319 0.722 20 5 DCBDMN CCO[C@@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@]12CCCO2 ZINC000274263940 415347892 /nfs/dbraw/zinc/34/78/92/415347892.db2.gz VTQIQKYBDQZBAF-OPQQBVKSSA-N 0 1 310.310 0.774 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000353221103 415479060 /nfs/dbraw/zinc/47/90/60/415479060.db2.gz WVRZMKJFLOXWRJ-BDAKNGLRSA-N 0 1 317.371 0.217 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-]C[C@H]([NH3+])C(C)C)c([N+](=O)[O-])n1 ZINC000353216757 415480024 /nfs/dbraw/zinc/48/00/24/415480024.db2.gz LAFZKVBNSPONFG-QMMMGPOBSA-N 0 1 305.360 0.073 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CCC(NC(N)=O)CC2)c1[N+](=O)[O-] ZINC000343441227 415599533 /nfs/dbraw/zinc/59/95/33/415599533.db2.gz FTCRGDVPFONKBC-UHFFFAOYSA-N 0 1 324.341 0.543 20 5 DCBDMN C[C@@]1(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCOC1=O ZINC000289754269 415717119 /nfs/dbraw/zinc/71/71/19/415717119.db2.gz YVIXRGGRNLZSMF-LLVKDONJSA-N 0 1 318.282 0.718 20 5 DCBDMN COc1cc(OCC(=O)N2CCNC[C@H]2C)ccc1[N+](=O)[O-] ZINC000125061307 415859065 /nfs/dbraw/zinc/85/90/65/415859065.db2.gz QCVUPLYMCPRCOF-SNVBAGLBSA-N 0 1 309.322 0.803 20 5 DCBDMN O=C(NCCn1ccccc1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356578239 415955703 /nfs/dbraw/zinc/95/57/03/415955703.db2.gz OKPQQIZTMSEZQO-UHFFFAOYSA-N 0 1 303.274 0.892 20 5 DCBDMN O=C(N[C@@H]1CCCS(=O)(=O)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356588873 415957152 /nfs/dbraw/zinc/95/71/52/415957152.db2.gz GPVFMFZKQZQPCQ-SECBINFHSA-N 0 1 314.319 0.607 20 5 DCBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000337424090 415958924 /nfs/dbraw/zinc/95/89/24/415958924.db2.gz CBFVBWOAJJWHTF-MRVPVSSYSA-N 0 1 316.339 0.276 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)NC)C2)c1[N+](=O)[O-] ZINC000344972151 416017643 /nfs/dbraw/zinc/01/76/43/416017643.db2.gz SEDPARZDOUZZQU-MRVPVSSYSA-N 0 1 324.341 0.414 20 5 DCBDMN COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2n[nH]c(C3CC3)n2)c1 ZINC000179652179 416190326 /nfs/dbraw/zinc/19/03/26/416190326.db2.gz RMPYBDGNXYRSBE-UHFFFAOYSA-N 0 1 319.277 0.587 20 5 DCBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]([N@@H+](C)CC(=O)[O-])[C@@H](O)C1 ZINC000352198709 416304837 /nfs/dbraw/zinc/30/48/37/416304837.db2.gz PEUQYNRFKQQDKA-HONMWMINSA-N 0 1 323.349 0.717 20 5 DCBDMN CN(CCCN1C(=O)CNC1=O)Cc1ccccc1[N+](=O)[O-] ZINC000193357155 416316352 /nfs/dbraw/zinc/31/63/52/416316352.db2.gz TYRYMUFCRPMDEW-UHFFFAOYSA-N 0 1 306.322 0.969 20 5 DCBDMN C[C@@H]1CNCCN1C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418864702 416392446 /nfs/dbraw/zinc/39/24/46/416392446.db2.gz IODHMECFUFJDGE-LLVKDONJSA-N 0 1 320.349 0.074 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CCC(C(N)=O)CC2)c1[N+](=O)[O-] ZINC000433861862 416447678 /nfs/dbraw/zinc/44/76/78/416447678.db2.gz GEIKHBDWZWURFP-UHFFFAOYSA-N 0 1 309.326 0.779 20 5 DCBDMN CCOC(=O)c1cc(NC(=O)c2c([N+](=O)[O-])cnn2C)n[nH]1 ZINC000540976207 416601741 /nfs/dbraw/zinc/60/17/41/416601741.db2.gz SMOCNJFAPDMOIJ-UHFFFAOYSA-N 0 1 308.254 0.480 20 5 DCBDMN COc1ccc(OC)c2c1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C[C@@H]2O ZINC000368753166 416688553 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5 DCBDMN CCOC(=O)[C@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccnc1 ZINC000847040079 670512227 /nfs/dbraw/zinc/51/22/27/670512227.db2.gz MTTWMPKLWRWRLD-JTNHKYCSSA-N 0 1 307.306 0.641 20 5 DCBDMN CCNS(=O)(=O)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592235 670751231 /nfs/dbraw/zinc/75/12/31/670751231.db2.gz CHGLRXYZPQDBHB-SECBINFHSA-N 0 1 316.383 0.767 20 5 DCBDMN Cc1cccc([C@H]2C(=O)NCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000856208408 670795410 /nfs/dbraw/zinc/79/54/10/670795410.db2.gz QPBHTPJJDQPLHI-UPJWGTAASA-N 0 1 303.318 0.660 20 5 DCBDMN COC(=O)[C@H]1[C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000816969230 670888013 /nfs/dbraw/zinc/88/80/13/670888013.db2.gz GHCWQFNBVLTMSB-GDNZZTSVSA-N 0 1 306.274 0.791 20 5 DCBDMN CSCC[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000858998351 671062224 /nfs/dbraw/zinc/06/22/24/671062224.db2.gz QDWCSVZTMRQJDN-ZETCQYMHSA-N 0 1 308.385 0.748 20 5 DCBDMN C[C@@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000819190107 671101762 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DCBDMN Cc1cccc(C(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001010376827 691246927 /nfs/dbraw/zinc/24/69/27/691246927.db2.gz LGAODOBBUIUXIF-DGCLKSJQSA-N 0 1 318.333 0.340 20 5 DCBDMN Cc1coc(C)c1C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011078351 691459793 /nfs/dbraw/zinc/45/97/93/691459793.db2.gz UGDZLKYPRHKBMO-VXGBXAGGSA-N 0 1 321.333 0.846 20 5 DCBDMN CC1(C(=O)NC2CC3(CC(NC(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)CC1 ZINC001014000937 691954069 /nfs/dbraw/zinc/95/40/69/691954069.db2.gz SIZGAPRGXMHATC-ZVHXASMASA-N 0 1 321.377 0.995 20 5 DCBDMN CSCC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019012318 693323821 /nfs/dbraw/zinc/32/38/21/693323821.db2.gz DFQDSNWBHULHDI-NXEZZACHSA-N 0 1 313.379 0.076 20 5 DCBDMN CCOCC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001072845007 694673865 /nfs/dbraw/zinc/67/38/65/694673865.db2.gz AHQPPZSDGVKCDB-GHMZBOCLSA-N 0 1 313.354 0.185 20 5 DCBDMN CSCC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073012916 694694627 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DCBDMN CCc1cccc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001720088321 1158940647 /nfs/dbraw/zinc/94/06/47/1158940647.db2.gz DKVJHSNNFLUWEL-ZYHUDNBSSA-N 0 1 306.322 0.155 20 5 DCBDMN Cc1cc(F)cc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001720088603 1158941984 /nfs/dbraw/zinc/94/19/84/1158941984.db2.gz JCPYOTFXCKMDJQ-VXGBXAGGSA-N 0 1 309.297 0.645 20 5 DCBDMN Cc1cc(CN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)nn1C ZINC001567440563 1160368240 /nfs/dbraw/zinc/36/82/40/1160368240.db2.gz IFHAWTUAAAMRMY-ZIAGYGMSSA-N 0 1 321.381 0.474 20 5 DCBDMN O=C(NCCCNC(=O)C1(C2CC2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001575823273 1164164696 /nfs/dbraw/zinc/16/46/96/1164164696.db2.gz XNOCMLQPPFFGGG-VXGBXAGGSA-N 0 1 309.366 0.854 20 5 DCBDMN O=C(N[C@@H](c1c[nH]nn1)c1ccc(F)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001577972627 1164870732 /nfs/dbraw/zinc/87/07/32/1164870732.db2.gz MZIDXTZOFNKPDQ-YUSALJHKSA-N 0 1 305.269 0.815 20 5 DCBDMN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@]1(C)CNCCO1 ZINC001578478663 1165032077 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1 323.349 0.922 20 5 DCBDMN O=[N+]([O-])c1c(NC[C@H]2CSCC[NH2+]2)cccc1-c1nnn[n-]1 ZINC001607078171 1170381824 /nfs/dbraw/zinc/38/18/24/1170381824.db2.gz MSNLOGGHMCIUHI-QMMMGPOBSA-N 0 1 321.366 0.892 20 5 DCBDMN O=[N+]([O-])c1c(NC[C@H]2CSCC[NH2+]2)cccc1-c1nn[n-]n1 ZINC001607078171 1170381831 /nfs/dbraw/zinc/38/18/31/1170381831.db2.gz MSNLOGGHMCIUHI-QMMMGPOBSA-N 0 1 321.366 0.892 20 5 DCBDMN CC1(C)CN(Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1O ZINC001609146780 1170827434 /nfs/dbraw/zinc/82/74/34/1170827434.db2.gz WJVMDTZEHRJJIV-GFCCVEGCSA-N 0 1 318.337 0.978 20 5 DCBDMN NC(=O)N1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001610638971 1171275497 /nfs/dbraw/zinc/27/54/97/1171275497.db2.gz WJCBGUZKGBCTLP-UHFFFAOYSA-N 0 1 322.321 0.879 20 5 DCBDMN NC(=O)N1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001610638971 1171275504 /nfs/dbraw/zinc/27/55/04/1171275504.db2.gz WJCBGUZKGBCTLP-UHFFFAOYSA-N 0 1 322.321 0.879 20 5 DCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)n1 ZINC001618102458 1171394521 /nfs/dbraw/zinc/39/45/21/1171394521.db2.gz ZJPBCMRIFMVJLJ-WDEREUQCSA-N 0 1 324.385 0.175 20 5 DCBDMN Nc1ccc(NC(=O)C2CN([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC001629193945 1171544068 /nfs/dbraw/zinc/54/40/68/1171544068.db2.gz XBFDUXJLTKRUHI-NSHDSACASA-N 0 1 306.322 0.836 20 5 DCBDMN COC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1nn[nH]n1 ZINC001634622339 1171680982 /nfs/dbraw/zinc/68/09/82/1171680982.db2.gz PFBJFOODWUKPMX-SNVBAGLBSA-N 0 1 320.309 0.842 20 5 DCBDMN Cc1nc(NCc2nnc([C@H]3CCOC3)[nH]2)ncc1[N+](=O)[O-] ZINC001640155258 1171867582 /nfs/dbraw/zinc/86/75/82/1171867582.db2.gz OAIQJEZHYBKJFY-QMMMGPOBSA-N 0 1 305.298 0.927 20 5 DCBDMN Cc1nc(NCc2n[nH]c([C@H]3CCOC3)n2)ncc1[N+](=O)[O-] ZINC001640155258 1171867590 /nfs/dbraw/zinc/86/75/90/1171867590.db2.gz OAIQJEZHYBKJFY-QMMMGPOBSA-N 0 1 305.298 0.927 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](O)C[C@@]2(C)CO)c1[N+](=O)[O-] ZINC001641839231 1171928794 /nfs/dbraw/zinc/92/87/94/1171928794.db2.gz BKHGDDSIBHROLS-SDBXPKJASA-N 0 1 312.326 0.399 20 5 DCBDMN O=c1[nH]ccc(NCc2nnc([C@H]3CCOC3)[nH]2)c1[N+](=O)[O-] ZINC001642932400 1171959527 /nfs/dbraw/zinc/95/95/27/1171959527.db2.gz PCNGLYIYUOZMHT-ZETCQYMHSA-N 0 1 306.282 0.930 20 5 DCBDMN O=c1[nH]ccc(NCc2n[nH]c([C@H]3CCOC3)n2)c1[N+](=O)[O-] ZINC001642932400 1171959535 /nfs/dbraw/zinc/95/95/35/1171959535.db2.gz PCNGLYIYUOZMHT-ZETCQYMHSA-N 0 1 306.282 0.930 20 5 DCBDMN CNc1ccc(C(=O)N2CC[C@@H](c3nn[nH]n3)C2)cc1[N+](=O)[O-] ZINC001644299130 1172001653 /nfs/dbraw/zinc/00/16/53/1172001653.db2.gz GYZZLYWDYGMJRZ-SECBINFHSA-N 0 1 317.309 0.779 20 5 DCBDMN COC[C@H]1COCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC001646244599 1172301370 /nfs/dbraw/zinc/30/13/70/1172301370.db2.gz PPILBAYLXPCJIS-VIFPVBQESA-N 0 1 312.326 0.929 20 5 DCBDMN CC(C)(F)C(=O)NCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001681276045 1175884273 /nfs/dbraw/zinc/88/42/73/1175884273.db2.gz OPJVCEGJXHRBJX-GHMZBOCLSA-N 0 1 313.329 0.675 20 5 DCBDMN Cc1sccc1C(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001688326016 1176453647 /nfs/dbraw/zinc/45/36/47/1176453647.db2.gz YVQQGCNYZRPFFI-GHMZBOCLSA-N 0 1 311.363 0.910 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1onc(C)c1C ZINC001688398062 1176481503 /nfs/dbraw/zinc/48/15/03/1176481503.db2.gz VCONXIIZHZDHDO-GHMZBOCLSA-N 0 1 324.337 0.535 20 5 DCBDMN CN(CCN(C)C(=O)C1CC(F)(F)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001689071701 1176688613 /nfs/dbraw/zinc/68/86/13/1176688613.db2.gz CPFWRRBMDGBTTK-NXEZZACHSA-N 0 1 319.308 0.614 20 5 DCBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC001703177342 1179373209 /nfs/dbraw/zinc/37/32/09/1179373209.db2.gz DDSRAKYZRCGIMA-ZYHUDNBSSA-N 0 1 317.305 0.074 20 5 DCBDMN Cc1ccc(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001704203342 1179929177 /nfs/dbraw/zinc/92/91/77/1179929177.db2.gz QBYFRSMUBKCNKJ-CHWSQXEVSA-N 0 1 305.334 0.848 20 5 DCBDMN COCC(C)(C)CC(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001704203300 1179929367 /nfs/dbraw/zinc/92/93/67/1179929367.db2.gz OOHLNLIPSOGJMB-GHMZBOCLSA-N 0 1 315.370 0.289 20 5 DCBDMN O=C(NCCN(C(=O)c1ccco1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001704399633 1179999084 /nfs/dbraw/zinc/99/90/84/1179999084.db2.gz OZFASHGOIOXYTF-GHMZBOCLSA-N 0 1 307.306 0.666 20 5 DCBDMN CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cc(F)c[nH]1 ZINC001714734273 1181513282 /nfs/dbraw/zinc/51/32/82/1181513282.db2.gz GOWQTUNVQXZQHN-UHFFFAOYSA-N 0 1 324.316 0.657 20 5 DCBDMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cncn1C ZINC001721209058 1183865132 /nfs/dbraw/zinc/86/51/32/1183865132.db2.gz GTJOYIHJXIEZHY-GHMZBOCLSA-N 0 1 323.353 0.054 20 5 DCBDMN C=C/C(C)=C\CC(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001721393838 1183929122 /nfs/dbraw/zinc/92/91/22/1183929122.db2.gz SRNYEGBQKIEQDG-KSNZYYIMSA-N 0 1 307.350 0.749 20 5 DCBDMN CC1(C(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC=CC1 ZINC001721851555 1184078793 /nfs/dbraw/zinc/07/87/93/1184078793.db2.gz FGZXWRJPALFIBN-GKUNOOHESA-N 0 1 307.350 0.797 20 5 DCBDMN CN(CCNC(=O)c1ncn[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001731789120 1185488165 /nfs/dbraw/zinc/48/81/65/1185488165.db2.gz WDOOVIDWBMPODD-UHFFFAOYSA-N 0 1 304.310 0.575 20 5 DCBDMN CN(CCNC(=O)c1nc[nH]n1)Cc1ccccc1[N+](=O)[O-] ZINC001731789120 1185488174 /nfs/dbraw/zinc/48/81/74/1185488174.db2.gz WDOOVIDWBMPODD-UHFFFAOYSA-N 0 1 304.310 0.575 20 5 DCBDMN O=C(NC[C@H]1C[C@@H](NC(=O)C2(CF)CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001736067704 1186975784 /nfs/dbraw/zinc/97/57/84/1186975784.db2.gz HIXARGXLGWHXLU-LMLFDSFASA-N 0 1 313.329 0.412 20 5 DCBDMN O=C(NCCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1)C(F)F ZINC001737293636 1187305405 /nfs/dbraw/zinc/30/54/05/1187305405.db2.gz GASPCNRBQRNGJT-RKDXNWHRSA-N 0 1 305.281 0.414 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)/C=C(\C)C1CC1 ZINC001737798036 1187408861 /nfs/dbraw/zinc/40/88/61/1187408861.db2.gz QMZUMRBXFHZVJR-AXCOZDIOSA-N 0 1 309.366 0.973 20 5 DCBDMN Cc1[nH]ccc1C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001747782804 1188296732 /nfs/dbraw/zinc/29/67/32/1188296732.db2.gz CDZTXVWLJJDOTF-GHMZBOCLSA-N 0 1 306.322 0.367 20 5 DCBDMN CSCCC(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001576410623 1164332620 /nfs/dbraw/zinc/33/26/20/1164332620.db2.gz KUAHSUBZESPKHI-GHMZBOCLSA-N 0 1 315.395 0.512 20 5 DCBDMN COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3OCCN(C)[C@@H]3C2)n1 ZINC001164665044 719394399 /nfs/dbraw/zinc/39/43/99/719394399.db2.gz FKLBZXZUSYWPEQ-NXEZZACHSA-N 0 1 309.326 0.221 20 5 DCBDMN O=C(NCC=CCNc1ncc([N+](=O)[O-])cc1F)c1ncn[nH]1 ZINC001107288344 751988448 /nfs/dbraw/zinc/98/84/48/751988448.db2.gz JJZOVPNNGSFVBR-OWOJBTEDSA-N 0 1 321.272 0.645 20 5 DCBDMN O=C(NCC=CCNc1ncc([N+](=O)[O-])cc1F)c1nc[nH]n1 ZINC001107288344 751988453 /nfs/dbraw/zinc/98/84/53/751988453.db2.gz JJZOVPNNGSFVBR-OWOJBTEDSA-N 0 1 321.272 0.645 20 5 DCBDMN Cc1cc([N+](=O)[O-])cnc1NCC=CCNC(=O)c1cnn[nH]1 ZINC001107587730 752136643 /nfs/dbraw/zinc/13/66/43/752136643.db2.gz ZHXNEWVLBUKXIF-NSCUHMNNSA-N 0 1 317.309 0.814 20 5 DCBDMN COC(=O)c1cc([N+](=O)[O-])cc(-n2c(C)ncc(CN)c2=N)c1 ZINC001167675876 747524600 /nfs/dbraw/zinc/52/46/00/747524600.db2.gz RJNHUSBGUPRVHX-UHFFFAOYSA-N 0 1 317.305 0.814 20 5 DCBDMN O=C(NCCNCc1noc(-c2ccoc2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001126938751 750151748 /nfs/dbraw/zinc/15/17/48/750151748.db2.gz JLPINDBJMULSSA-NXEZZACHSA-N 0 1 321.293 0.201 20 5 DCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1ccc[nH]1 ZINC001062989663 755071659 /nfs/dbraw/zinc/07/16/59/755071659.db2.gz MMCGZCGBPWKLMA-MWLCHTKSSA-N 0 1 306.322 0.449 20 5 DCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1nccs1 ZINC001064193094 755342213 /nfs/dbraw/zinc/34/22/13/755342213.db2.gz JGFQHCJIOGLLQH-RKDXNWHRSA-N 0 1 324.362 0.577 20 5 DCBDMN CCc1nnc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001086363438 760100915 /nfs/dbraw/zinc/10/09/15/760100915.db2.gz UOAXSAIZTYJUOM-GWOFURMSSA-N 0 1 323.353 0.282 20 5 DCBDMN O=C(NC[C@H]1C[C@H](NCc2csnn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363404 760101492 /nfs/dbraw/zinc/10/14/92/760101492.db2.gz RVQAHVDSJYTIGW-YJFSRANCSA-N 0 1 311.367 0.188 20 5 DCBDMN CC(C)NC(=O)CN1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169022498 760561149 /nfs/dbraw/zinc/56/11/49/760561149.db2.gz CFUVGHWPSDQQEU-ZIAGYGMSSA-N 0 1 312.414 0.574 20 5 DCBDMN CCCN1CCn2ncc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])c2C1 ZINC001069860891 760909623 /nfs/dbraw/zinc/90/96/23/760909623.db2.gz MYRRWXZZFUSIJK-VXGBXAGGSA-N 0 1 307.354 0.390 20 5 DCBDMN C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001123678811 768043204 /nfs/dbraw/zinc/04/32/04/768043204.db2.gz XGXXSZYSUDURSL-JOYOIKCWSA-N 0 1 306.322 0.627 20 5 DCBDMN C[C@H]1CCCN(C(=O)CCNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001124082146 768122383 /nfs/dbraw/zinc/12/23/83/768122383.db2.gz FQPPCJXRBNHPKR-VIFPVBQESA-N 0 1 309.326 0.696 20 5 DCBDMN CN(CCNC(=O)c1[nH]ncc1F)c1ncccc1[N+](=O)[O-] ZINC001100309655 763477990 /nfs/dbraw/zinc/47/79/90/763477990.db2.gz GWRDMUDXLWUGBV-UHFFFAOYSA-N 0 1 308.273 0.718 20 5 DCBDMN Cc1nn[nH]c1C(=O)N(C)CCNc1nccc(C)c1[N+](=O)[O-] ZINC001101885660 764399828 /nfs/dbraw/zinc/39/98/28/764399828.db2.gz KGEGABCDMWDYDQ-UHFFFAOYSA-N 0 1 319.325 0.909 20 5 DCBDMN CN(CCNc1ncc([N+](=O)[O-])cc1F)C(=O)Cc1c[nH]cn1 ZINC001101975553 764465755 /nfs/dbraw/zinc/46/57/55/764465755.db2.gz HARFXSSPYUAPNK-UHFFFAOYSA-N 0 1 322.300 0.965 20 5 DCBDMN O=C(NCCNCc1ccccc1[N+](=O)[O-])[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605529 764539396 /nfs/dbraw/zinc/53/93/96/764539396.db2.gz UGYCHAANDGCPRY-IMRBUKKESA-N 0 1 305.334 0.693 20 5 DCBDMN CCOC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001133647250 765064476 /nfs/dbraw/zinc/06/44/76/765064476.db2.gz PMHXKUBAFMPCPS-LNFKQOIKSA-N 0 1 300.311 0.269 20 5 DCBDMN CCC(=O)NCC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001124867635 768317584 /nfs/dbraw/zinc/31/75/84/768317584.db2.gz WWEOKGCZISRQRO-UHFFFAOYSA-N 0 1 314.367 0.388 20 5 DCBDMN NS(=O)(=O)c1cccc(NCCN2CC=CC2)c1[N+](=O)[O-] ZINC001116574976 765884742 /nfs/dbraw/zinc/88/47/42/765884742.db2.gz YAMAJOYZPWDHJE-UHFFFAOYSA-N 0 1 312.351 0.526 20 5 DCBDMN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001136492173 766309925 /nfs/dbraw/zinc/30/99/25/766309925.db2.gz SPVSKSZFCZCVPX-YPMHNXCESA-N 0 1 320.349 0.891 20 5 DCBDMN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)N1CCN(C)CC1 ZINC001144227584 766829945 /nfs/dbraw/zinc/82/99/45/766829945.db2.gz WCSSMLHXKXZQBU-NSHDSACASA-N 0 1 321.381 0.543 20 5 DCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(OC2CN(CCF)C2)CC1 ZINC001093536938 768611146 /nfs/dbraw/zinc/61/11/46/768611146.db2.gz YVBNHVPRMNDUSK-CHWSQXEVSA-N 0 1 315.345 0.313 20 5 DCBDMN Cc1cc(NCCNC(=O)C2=NC(=O)N(C)C2)ncc1[N+](=O)[O-] ZINC001094091285 768856991 /nfs/dbraw/zinc/85/69/91/768856991.db2.gz NOPHKUYWMJFDTO-UHFFFAOYSA-N 0 1 320.309 0.579 20 5 DCBDMN O=C(Cc1nnc[nH]1)NCCCNc1ncc([N+](=O)[O-])cc1F ZINC001094572021 769107684 /nfs/dbraw/zinc/10/76/84/769107684.db2.gz DUAUGGGKDACRRP-UHFFFAOYSA-N 0 1 323.288 0.408 20 5 DCBDMN Cc1nc(NCCCNC(=O)c2cnn[nH]2)ccc1[N+](=O)[O-] ZINC001094881524 769445482 /nfs/dbraw/zinc/44/54/82/769445482.db2.gz LWMOWVRBPHOEIA-UHFFFAOYSA-N 0 1 305.298 0.648 20 5 DCBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H](CO)C(N)=O)c1F ZINC001173192386 769557768 /nfs/dbraw/zinc/55/77/68/769557768.db2.gz PPHLGTGBRHWSTE-VXNVDRBHSA-N 0 1 315.301 0.109 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]3CCNC(=O)[C@H]32)c1[N+](=O)[O-] ZINC001153209167 769753448 /nfs/dbraw/zinc/75/34/48/769753448.db2.gz RNYCDYSIVXQIBS-KWQFWETISA-N 0 1 307.310 0.367 20 5 DCBDMN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2nn[nH]n2)C1 ZINC001175564081 769926959 /nfs/dbraw/zinc/92/69/59/769926959.db2.gz ZBBKTHGGGVWUTN-MWLCHTKSSA-N 0 1 318.293 0.157 20 5 DCBDMN COC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC001177828960 770552813 /nfs/dbraw/zinc/55/28/13/770552813.db2.gz TWESYPRFWBXFNX-SECBINFHSA-N 0 1 310.245 0.365 20 5 DCBDMN Cc1nc(Cl)nc(-n2c(C)ncc(CN)c2=N)c1[N+](=O)[O-] ZINC001156824822 770936088 /nfs/dbraw/zinc/93/60/88/770936088.db2.gz DVDJYQCXKMCMTK-UHFFFAOYSA-N 0 1 309.717 0.779 20 5 DCBDMN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC(N(C)[C@@H]2CCOC2)C1 ZINC001165205566 772705613 /nfs/dbraw/zinc/70/56/13/772705613.db2.gz MAPFMTOSWXZODM-LLVKDONJSA-N 0 1 308.338 0.446 20 5 DCBDMN CCOC(=O)C1=C(O)CCCN1c1ncnc(OC)c1[N+](=O)[O-] ZINC001166732761 772853733 /nfs/dbraw/zinc/85/37/33/772853733.db2.gz CSDOPHLJSKGEDW-SECBINFHSA-N 0 1 324.293 0.494 20 5 DCBDMN COC(=O)c1cnc(N2CC[C@H](N)C(F)(F)C2)c([N+](=O)[O-])c1 ZINC001166961281 772890053 /nfs/dbraw/zinc/89/00/53/772890053.db2.gz OESAVTHZTBJUEV-VIFPVBQESA-N 0 1 316.264 0.949 20 5 DCBDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccn(C)n1 ZINC001067389750 777789833 /nfs/dbraw/zinc/78/98/33/777789833.db2.gz NPRMDZWRVWOMAY-ZYHUDNBSSA-N 0 1 323.353 0.006 20 5 DCBDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCCF ZINC001067391889 777834470 /nfs/dbraw/zinc/83/44/70/777834470.db2.gz LPAMTZWPAFDHBK-GHMZBOCLSA-N 0 1 303.334 0.708 20 5 DCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nnc(C2CC2)[nH]1 ZINC001268237260 939999823 /nfs/dbraw/zinc/99/98/23/939999823.db2.gz FTWSYALDDIZSHE-GHMZBOCLSA-N 0 1 322.369 0.238 20 5 DCBDMN O=C(NC1(CNC(=O)C2(C3CC3)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001299184302 941509491 /nfs/dbraw/zinc/50/94/91/941509491.db2.gz JOAJROZCXSKFRJ-GHMZBOCLSA-N 0 1 307.350 0.607 20 5 DCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1coc(C2CC2)n1 ZINC001317447965 944974158 /nfs/dbraw/zinc/97/41/58/944974158.db2.gz KFRLMLBDVJHHPZ-VXGBXAGGSA-N 0 1 308.338 0.765 20 5 DCBDMN CC(C)n1ccc(CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001317447976 944975942 /nfs/dbraw/zinc/97/59/42/944975942.db2.gz KNHCRADJDAVLHU-CHWSQXEVSA-N 0 1 309.370 0.677 20 5 DCBDMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1coc(C)n1 ZINC001317540886 945035629 /nfs/dbraw/zinc/03/56/29/945035629.db2.gz PSUMCGSARYSKRY-CHWSQXEVSA-N 0 1 310.354 0.976 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCCN(C(N)=O)CC2)c1[N+](=O)[O-] ZINC001320435100 945874638 /nfs/dbraw/zinc/87/46/38/945874638.db2.gz SRDYYLHXDLTQJI-UHFFFAOYSA-N 0 1 310.314 0.107 20 5 DCBDMN CCN(CCNCc1nc(C)c(C)o1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001320735093 945997837 /nfs/dbraw/zinc/99/78/37/945997837.db2.gz RJMYMQZSDLRTNF-VXGBXAGGSA-N 0 1 310.354 0.895 20 5 DCBDMN CN1CCN(C2CN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)CC1 ZINC001254611039 946415668 /nfs/dbraw/zinc/41/56/68/946415668.db2.gz OSHPURZBVJLMSJ-MRXNPFEDSA-N 0 1 316.405 0.994 20 5 DCBDMN C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCc1ccccc1[N+](=O)[O-] ZINC001263709188 948737667 /nfs/dbraw/zinc/73/76/67/948737667.db2.gz KGHPQTJQZMDIGY-BXUZGUMPSA-N 0 1 304.350 0.599 20 5 DCBDMN CC(C)N(CCN(C)C(=O)c1cn[nH]c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001488454321 948873342 /nfs/dbraw/zinc/87/33/42/948873342.db2.gz SROQOHWVBVDPIU-VXGBXAGGSA-N 0 1 323.353 0.384 20 5 DCBDMN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001330308636 950266488 /nfs/dbraw/zinc/26/64/88/950266488.db2.gz ZXGCPNDCISFTBV-NWDGAFQWSA-N 0 1 320.349 0.452 20 5 DCBDMN C[C@H]1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CS1(=O)=O ZINC001331402126 951107502 /nfs/dbraw/zinc/10/75/02/951107502.db2.gz ATNPWTZIIQOKQA-NKWVEPMBSA-N 0 1 302.312 0.013 20 5 DCBDMN COC(=O)/C=C/[C@@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001475797236 953090828 /nfs/dbraw/zinc/09/08/28/953090828.db2.gz UZWRUXILOIFGEU-HQZHTGGTSA-N 0 1 315.307 0.386 20 5 DCBDMN C[C@H]1CN2CCN1C[C@@H]2C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001346567640 953920534 /nfs/dbraw/zinc/92/05/34/953920534.db2.gz YSWUQINAUIJPHZ-XHDPSFHLSA-N 0 1 316.361 0.825 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)c1[N+](=O)[O-] ZINC001347847367 954174327 /nfs/dbraw/zinc/17/43/27/954174327.db2.gz NBZMJHPYRYNTNA-IUCAKERBSA-N 0 1 307.310 0.367 20 5 DCBDMN O=C(NCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1)c1cc[nH]c1 ZINC001284735288 955248317 /nfs/dbraw/zinc/24/83/17/955248317.db2.gz BLJIXCOIPIHCOX-VXGBXAGGSA-N 0 1 306.322 0.401 20 5 DCBDMN Cc1ccc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001285923389 956074655 /nfs/dbraw/zinc/07/46/55/956074655.db2.gz HZSFGZCPUOBNOJ-VXGBXAGGSA-N 0 1 318.333 0.434 20 5 DCBDMN Cc1cc[nH]c1C(=O)N(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001356611996 956910368 /nfs/dbraw/zinc/91/03/68/956910368.db2.gz QNKFUZZOINTEQZ-VXGBXAGGSA-N 0 1 320.349 0.709 20 5 DCBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccsc1 ZINC001294066071 957475070 /nfs/dbraw/zinc/47/50/70/957475070.db2.gz PMJUJELUFBNYIB-GHMZBOCLSA-N 0 1 311.363 0.992 20 5 DCBDMN CCCSCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001295170069 957651333 /nfs/dbraw/zinc/65/13/33/957651333.db2.gz DNRIWBZWFKKFDX-LMLFDSFASA-N 0 1 315.395 0.558 20 5 DCBDMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ncccn1 ZINC001296501624 958004520 /nfs/dbraw/zinc/00/45/20/958004520.db2.gz GLGHWWNOKZWJOA-GHMZBOCLSA-N 0 1 321.337 0.110 20 5 DCBDMN O=C(CCC(F)F)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001298398109 958585938 /nfs/dbraw/zinc/58/59/38/958585938.db2.gz WSIJHVMXSITFQQ-NPIHWTNLSA-N 0 1 305.281 0.486 20 5 DCBDMN CC(C)(C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(F)F ZINC001491696041 959066789 /nfs/dbraw/zinc/06/67/89/959066789.db2.gz CGMIEMUBMHAYSF-RKDXNWHRSA-N 0 1 321.324 0.956 20 5 DCBDMN O=C(/C=C/C1CC1)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001492088783 959624153 /nfs/dbraw/zinc/62/41/53/959624153.db2.gz VLHMJPYASYSGJL-CDJBXZAQSA-N 0 1 307.350 0.725 20 5 DCBDMN C/C(=C\C(=O)N(C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001492350056 959870447 /nfs/dbraw/zinc/87/04/47/959870447.db2.gz YGFVSPBNUNXVGQ-AXCOZDIOSA-N 0 1 309.366 0.973 20 5 DCBDMN Cc1noc(C(=O)N(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC001492349653 959871931 /nfs/dbraw/zinc/87/19/31/959871931.db2.gz VMYHXXOTLPBDCU-GHMZBOCLSA-N 0 1 324.337 0.535 20 5 DCBDMN Cc1nccc(C(=O)NCCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001492365245 959885279 /nfs/dbraw/zinc/88/52/79/959885279.db2.gz OQMMFZAFHGLNLD-ZYHUDNBSSA-N 0 1 321.337 0.029 20 5 DCBDMN O=C(N[C@H](CO)C[C@H]1CCCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001303690109 960061022 /nfs/dbraw/zinc/06/10/22/960061022.db2.gz KJRUVPZVVVQCSF-GXFFZTMASA-N 0 1 310.306 0.960 20 5 DCBDMN Cn1cc([N+](=O)[O-])c(NCc2n[nH]c(C3CCOCC3)n2)n1 ZINC001307182706 960142477 /nfs/dbraw/zinc/14/24/77/960142477.db2.gz OBWSBBLPFHJXMD-UHFFFAOYSA-N 0 1 307.314 0.953 20 5 DCBDMN O=C(CCCF)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001523235398 1014621226 /nfs/dbraw/zinc/62/12/26/1014621226.db2.gz GCBJFHIGBDDLQN-GHMZBOCLSA-N 0 1 301.318 0.509 20 5 DCBDMN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCCN(CCCO)C2)n1 ZINC001449804762 1014688803 /nfs/dbraw/zinc/68/88/03/1014688803.db2.gz WLPPPAXNFNZLLS-GFCCVEGCSA-N 0 1 322.365 0.875 20 5 DCBDMN O=C(NCCCN(C(=O)c1ccc[nH]1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001523998286 1014821492 /nfs/dbraw/zinc/82/14/92/1014821492.db2.gz JJHXQTBANHDAPC-DGCLKSJQSA-N 0 1 320.349 0.791 20 5 DCBDMN C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H](C(=O)[O-])C1 ZINC001598625133 994075952 /nfs/dbraw/zinc/07/59/52/994075952.db2.gz ZDVIKXYIGDVBLL-SECBINFHSA-N 0 1 322.321 0.146 20 5 DCBDMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001464949975 1015973329 /nfs/dbraw/zinc/97/33/29/1015973329.db2.gz FCJHUDRXLSZFSE-NSHDSACASA-N 0 1 321.381 0.543 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCC(S(C)(=O)=O)CC2)c1[N+](=O)[O-] ZINC001465739185 1016020905 /nfs/dbraw/zinc/02/09/05/1016020905.db2.gz NISBFXNJCHSTGG-UHFFFAOYSA-N 0 1 316.339 0.276 20 5 DCBDMN NCc1nccnc1N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001472737551 1016851623 /nfs/dbraw/zinc/85/16/23/1016851623.db2.gz RYPKTQLPMRQWAR-JTQLQIEISA-N 0 1 315.337 0.929 20 5 DCBDMN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC001473390245 1016928123 /nfs/dbraw/zinc/92/81/23/1016928123.db2.gz DHXNYBAZUVZGGT-GMXVVIOVSA-N 0 1 307.354 0.686 20 5 DCBDMN O=C(Cc1c[nH]cn1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001444638477 1011108642 /nfs/dbraw/zinc/10/86/42/1011108642.db2.gz KTCRCHFILMCODP-JTQLQIEISA-N 0 1 316.321 0.968 20 5 DCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC001456526726 1011324690 /nfs/dbraw/zinc/32/46/90/1011324690.db2.gz VNGBFJDZOCJLHB-WHGOUJPWSA-N 0 1 313.335 0.176 20 5 DCBDMN Cc1coc(C)c1C(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001533478528 1011415364 /nfs/dbraw/zinc/41/53/64/1011415364.db2.gz IWOKYXRVEBNFNM-OPVGQWETSA-N 0 1 321.333 0.964 20 5 DCBDMN CCc1nocc1C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001533494357 1011425064 /nfs/dbraw/zinc/42/50/64/1011425064.db2.gz SCECEJFHMDWHOU-AJLGQFLASA-N 0 1 322.321 0.304 20 5 DCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(C1CC1)C1CC1 ZINC001536024066 1012020949 /nfs/dbraw/zinc/02/09/49/1012020949.db2.gz URXWUSKKKCZUIV-VXGBXAGGSA-N 0 1 321.377 0.853 20 5 DCBDMN CNC(=O)c1ccc(NC[C@@H](O)c2cnc[nH]2)c([N+](=O)[O-])c1 ZINC001458584430 1012222985 /nfs/dbraw/zinc/22/29/85/1012222985.db2.gz CNZZODCECIVKLW-GFCCVEGCSA-N 0 1 305.294 0.823 20 5 DCBDMN COc1cc(C(=O)NC[C@H](O)c2cnc[nH]2)ccc1[N+](=O)[O-] ZINC001558340524 1012346044 /nfs/dbraw/zinc/34/60/44/1012346044.db2.gz DVCDAIGILUAGKF-NSHDSACASA-N 0 1 306.278 0.790 20 5 DCBDMN COC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)c1nn[nH]n1 ZINC001558340198 1012347865 /nfs/dbraw/zinc/34/78/65/1012347865.db2.gz XYRQMQGPMJLTHS-SNVBAGLBSA-N 0 1 306.282 0.534 20 5 DCBDMN CCO[C@H]1C[C@@](CO)(NCc2cn(C)nc2[N+](=O)[O-])C1(C)C ZINC001459949033 1012839486 /nfs/dbraw/zinc/83/94/86/1012839486.db2.gz GSWMDPSQPOBFTJ-FZMZJTMJSA-N 0 1 312.370 0.984 20 5 DCBDMN CCO[C@@H]1C[C@@](CO)(NCc2cn(C)nc2[N+](=O)[O-])C1(C)C ZINC001459949034 1012840290 /nfs/dbraw/zinc/84/02/90/1012840290.db2.gz GSWMDPSQPOBFTJ-RISCZKNCSA-N 0 1 312.370 0.984 20 5 DCBDMN CC[C@@H](CO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000566235169 291286039 /nfs/dbraw/zinc/28/60/39/291286039.db2.gz RAUCEUVJDWAMHZ-JTQLQIEISA-N 0 1 302.352 0.729 20 5 DCBDMN Cn1cc([C@@H](CO)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000275205544 212194753 /nfs/dbraw/zinc/19/47/53/212194753.db2.gz REYFYSZIYOMEHC-ZIAGYGMSSA-N 0 1 306.322 0.685 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](CCC(N)=O)C2)c1[N+](=O)[O-] ZINC000339806572 253148428 /nfs/dbraw/zinc/14/84/28/253148428.db2.gz MXFMKCMKWPLCHK-SECBINFHSA-N 0 1 309.326 0.744 20 5 DCBDMN O=[N+]([O-])c1cccnc1N1CCN(CCC2OCCO2)CC1 ZINC000298203442 285165942 /nfs/dbraw/zinc/16/59/42/285165942.db2.gz YGDPPYTXIVURBA-UHFFFAOYSA-N 0 1 308.338 0.875 20 5 DCBDMN COC(=O)Cc1nc(NC(=O)c2ccc([N+](=O)[O-])s2)n[nH]1 ZINC000346257803 254028062 /nfs/dbraw/zinc/02/80/62/254028062.db2.gz WZWWUTYJFWWILP-UHFFFAOYSA-N 0 1 311.279 0.742 20 5 DCBDMN Cn1nc([N+](=O)[O-])cc1-c1nc([C@@H]2CN3CCC[C@H]3CO2)no1 ZINC000346801709 254096892 /nfs/dbraw/zinc/09/68/92/254096892.db2.gz YLJCGVKAPMXMLR-WPRPVWTQSA-N 0 1 320.309 0.914 20 5 DCBDMN O=C(NC[C@@H](O)[C@@H]1CCOC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000347080326 254127383 /nfs/dbraw/zinc/12/73/83/254127383.db2.gz IUUMBMAEMSKEPD-PRHODGIISA-N 0 1 320.305 0.598 20 5 DCBDMN O=C(NC[C@H](O)[C@@H]1CCOC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000347080320 254127525 /nfs/dbraw/zinc/12/75/25/254127525.db2.gz IUUMBMAEMSKEPD-PELKAZGASA-N 0 1 320.305 0.598 20 5 DCBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCc3n[nH]nc3C2)c1 ZINC000351622060 254353971 /nfs/dbraw/zinc/35/39/71/254353971.db2.gz VDXVJBZFLZGGPR-NSHDSACASA-N 0 1 319.321 0.511 20 5 DCBDMN CN(C)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000042742326 395748211 /nfs/dbraw/zinc/74/82/11/395748211.db2.gz SQVYVSQPIUKEAV-UHFFFAOYSA-N 0 1 310.310 0.034 20 5 DCBDMN O=C1CCCN1[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000270571922 395785050 /nfs/dbraw/zinc/78/50/50/395785050.db2.gz OANLPZMTZZOEFM-LBPRGKRZSA-N 0 1 320.349 0.453 20 5 DCBDMN CCc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)n[nH]1 ZINC000270892157 395819916 /nfs/dbraw/zinc/81/99/16/395819916.db2.gz DPUSXQSDZPRYLM-LURJTMIESA-N 0 1 306.282 0.867 20 5 DCBDMN C[C@@H](CN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1nn[nH]n1 ZINC000273412879 395919847 /nfs/dbraw/zinc/91/98/47/395919847.db2.gz DODWHNQDYZEKSK-LURJTMIESA-N 0 1 323.288 0.705 20 5 DCBDMN COC(CN(CCCO)CCn1ccc([N+](=O)[O-])n1)OC ZINC000273651252 395935825 /nfs/dbraw/zinc/93/58/25/395935825.db2.gz WKHXGCUFDDLFFO-UHFFFAOYSA-N 0 1 302.331 0.095 20 5 DCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000247451000 395974467 /nfs/dbraw/zinc/97/44/67/395974467.db2.gz QFTLVHCJHFJSPI-PWSUYJOCSA-N 0 1 309.370 0.898 20 5 DCBDMN CNS(=O)(=O)[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000155915443 396059049 /nfs/dbraw/zinc/05/90/49/396059049.db2.gz DFVBYCDYDKQHOI-CYBMUJFWSA-N 0 1 313.379 0.761 20 5 DCBDMN COC(=O)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@H]1C ZINC000276643736 396017619 /nfs/dbraw/zinc/01/76/19/396017619.db2.gz RKANVYVFNFWOCI-VXNVDRBHSA-N 0 1 310.310 0.898 20 5 DCBDMN CCC[C@H](NC(=O)c1[nH]nc(CC)c1[N+](=O)[O-])c1nn[nH]n1 ZINC000278444852 396125112 /nfs/dbraw/zinc/12/51/12/396125112.db2.gz GDJVWJVYNVKTJU-ZETCQYMHSA-N 0 1 308.302 0.665 20 5 DCBDMN C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000074139779 396158112 /nfs/dbraw/zinc/15/81/12/396158112.db2.gz MPYJUOXRGIODIQ-LBPRGKRZSA-N 0 1 306.366 0.961 20 5 DCBDMN C[C@@H]1OCC[C@]1(O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000279554693 396183314 /nfs/dbraw/zinc/18/33/14/396183314.db2.gz RPFKMDIXUBRBHQ-RTHLEPHNSA-N 0 1 320.305 0.741 20 5 DCBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCS(=O)(=O)CC1 ZINC000264123262 396256309 /nfs/dbraw/zinc/25/63/09/396256309.db2.gz XGACCTJRURMKGD-UHFFFAOYSA-N 0 1 324.318 0.342 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CC(=O)N(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000282115413 396264500 /nfs/dbraw/zinc/26/45/00/396264500.db2.gz GALDDIODFKYRIB-MRVPVSSYSA-N 0 1 309.326 0.573 20 5 DCBDMN CCN1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000077291031 396217119 /nfs/dbraw/zinc/21/71/19/396217119.db2.gz DZTJTDVJBHUBMZ-UHFFFAOYSA-N 0 1 314.367 0.384 20 5 DCBDMN COCCN1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000264562604 396291254 /nfs/dbraw/zinc/29/12/54/396291254.db2.gz QWIKUKYPFIOTGX-GFCCVEGCSA-N 0 1 323.349 0.811 20 5 DCBDMN COCCS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NCCO ZINC000264636777 396298056 /nfs/dbraw/zinc/29/80/56/396298056.db2.gz LWFPBTBRUNCEEE-UHFFFAOYSA-N 0 1 319.339 0.387 20 5 DCBDMN COC(=O)c1cc(C)nc(N(C)Cc2nnc[nH]2)c1[N+](=O)[O-] ZINC000286015557 396369786 /nfs/dbraw/zinc/36/97/86/396369786.db2.gz ADZZVLAYQGHCNM-UHFFFAOYSA-N 0 1 306.282 0.839 20 5 DCBDMN O=C(NCCCN1C(=O)CCC1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269209530 396394758 /nfs/dbraw/zinc/39/47/58/396394758.db2.gz VIJVHDSXZFZECD-UHFFFAOYSA-N 0 1 321.289 0.569 20 5 DCBDMN CC(C)[C@@H]1C(=O)NCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269298000 396405272 /nfs/dbraw/zinc/40/52/72/396405272.db2.gz SMFDDLJQSHPSRA-GFCCVEGCSA-N 0 1 307.306 0.897 20 5 DCBDMN CNC(=O)CN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000269331846 396408125 /nfs/dbraw/zinc/40/81/25/396408125.db2.gz AKQGDCSEYMDFEG-UHFFFAOYSA-N 0 1 308.338 0.910 20 5 DCBDMN C[C@H]1CCCN(CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000269634476 396431073 /nfs/dbraw/zinc/43/10/73/396431073.db2.gz QBABFYHJJCCCIG-LBPRGKRZSA-N 0 1 322.365 0.605 20 5 DCBDMN Cc1c(CC(=O)NC[C@H]2CN(C)CCN2C)cccc1[N+](=O)[O-] ZINC000269744168 396442154 /nfs/dbraw/zinc/44/21/54/396442154.db2.gz WWQBSBPWNMXQDI-AWEZNQCLSA-N 0 1 320.393 0.808 20 5 DCBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@]1(O)CCOC1 ZINC000269984529 396457437 /nfs/dbraw/zinc/45/74/37/396457437.db2.gz NSLCHNUNVYCQCO-LLVKDONJSA-N 0 1 320.298 0.164 20 5 DCBDMN NC(=O)C[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000588803430 396693051 /nfs/dbraw/zinc/69/30/51/396693051.db2.gz QOLPIGWVENTOJB-QMMMGPOBSA-N 0 1 317.305 0.809 20 5 DCBDMN CN(Cc1n[nH]c(=O)o1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000588848793 396694988 /nfs/dbraw/zinc/69/49/88/396694988.db2.gz FDDTXJMKWYZNGR-UHFFFAOYSA-N 0 1 311.229 0.677 20 5 DCBDMN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CO)CN2CCCC2)c1 ZINC000588870384 396696964 /nfs/dbraw/zinc/69/69/64/396696964.db2.gz YXXUYTQFRZVLIN-LLVKDONJSA-N 0 1 323.349 0.790 20 5 DCBDMN COCC1(O)CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000295534440 396700082 /nfs/dbraw/zinc/70/00/82/396700082.db2.gz KCUHNLONAGELDI-UHFFFAOYSA-N 0 1 306.278 0.304 20 5 DCBDMN CN(CC(=O)N1CCCC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611552876 396885259 /nfs/dbraw/zinc/88/52/59/396885259.db2.gz XQDCCVIUUSTZKE-UHFFFAOYSA-N 0 1 307.306 0.995 20 5 DCBDMN COc1cc(C(=O)NCCN2CC[C@@H](O)C2)cc([N+](=O)[O-])c1C ZINC000600532218 396885633 /nfs/dbraw/zinc/88/56/33/396885633.db2.gz HUSRRYLHIMNBFQ-GFCCVEGCSA-N 0 1 323.349 0.708 20 5 DCBDMN C[C@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000591374444 396911964 /nfs/dbraw/zinc/91/19/64/396911964.db2.gz GQYNOQSHYMUNKE-QWRGUYRKSA-N 0 1 320.349 0.420 20 5 DCBDMN Cc1c(CC(=O)NCCN2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000600809503 396947678 /nfs/dbraw/zinc/94/76/78/396947678.db2.gz ZTTNZGVDYRZSBO-ZDUSSCGKSA-N 0 1 307.350 0.629 20 5 DCBDMN O=C(NCCCc1cc(=O)[nH][nH]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597663672 397050178 /nfs/dbraw/zinc/05/01/78/397050178.db2.gz AOTQRFJLVBQLQQ-UHFFFAOYSA-N 0 1 306.278 0.686 20 5 DCBDMN O=C(Cc1ccccc1[N+](=O)[O-])N1CCO[C@H](c2nn[nH]n2)C1 ZINC000377604524 397112309 /nfs/dbraw/zinc/11/23/09/397112309.db2.gz XGIVYYXKYACSPM-NSHDSACASA-N 0 1 318.293 0.251 20 5 DCBDMN COC[C@@](C)(O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000382539633 397274416 /nfs/dbraw/zinc/27/44/16/397274416.db2.gz AITKPXZIQIMSCL-NSHDSACASA-N 0 1 322.314 0.410 20 5 DCBDMN C[C@@H](C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000574524698 397276033 /nfs/dbraw/zinc/27/60/33/397276033.db2.gz HFVNLLPLXUWFGT-QWRGUYRKSA-N 0 1 312.322 0.987 20 5 DCBDMN O=[N+]([O-])c1cccc2ncnc(N3CC([N@H+]4CC[C@@H](O)C4)C3)c21 ZINC000593505555 397377505 /nfs/dbraw/zinc/37/75/05/397377505.db2.gz XLYXXBGXIZGFIS-LLVKDONJSA-N 0 1 315.333 0.793 20 5 DCBDMN O=[N+]([O-])c1cccc2ncnc(N3CC(N4CC[C@@H](O)C4)C3)c21 ZINC000593505555 397377512 /nfs/dbraw/zinc/37/75/12/397377512.db2.gz XLYXXBGXIZGFIS-LLVKDONJSA-N 0 1 315.333 0.793 20 5 DCBDMN Cc1nc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000593594970 397404719 /nfs/dbraw/zinc/40/47/19/397404719.db2.gz JECRZPGQCXBTGP-ZCFIWIBFSA-N 0 1 312.311 0.456 20 5 DCBDMN Cc1ccc(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)cc1[N+](=O)[O-] ZINC000370892574 397522485 /nfs/dbraw/zinc/52/24/85/397522485.db2.gz PZODAVTWXDBOCV-NSHDSACASA-N 0 1 318.293 0.630 20 5 DCBDMN C[C@H](NC(=O)NC[C@@H]1COCCN1)c1ccccc1[N+](=O)[O-] ZINC000599919403 397540617 /nfs/dbraw/zinc/54/06/17/397540617.db2.gz VUKGMSWANOJELY-WDEREUQCSA-N 0 1 308.338 0.943 20 5 DCBDMN Cc1c(CNC(=O)NC[C@@H]2COCCN2)cccc1[N+](=O)[O-] ZINC000599918793 397541012 /nfs/dbraw/zinc/54/10/12/397541012.db2.gz QNOLMNSLSSPIJQ-GFCCVEGCSA-N 0 1 308.338 0.691 20 5 DCBDMN O=C(NCc1nn[nH]n1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000609489186 397777304 /nfs/dbraw/zinc/77/73/04/397777304.db2.gz WDFAAAVFNQXOGE-UHFFFAOYSA-N 0 1 303.282 0.612 20 5 DCBDMN C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1cnn(C)c1 ZINC000610266180 397810698 /nfs/dbraw/zinc/81/06/98/397810698.db2.gz BTMJMLQEPYUDLP-QMMMGPOBSA-N 0 1 311.323 0.763 20 5 DCBDMN O=C1NCCCN1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000135404074 158336407 /nfs/dbraw/zinc/33/64/07/158336407.db2.gz IBAFCBNWMBLOKA-UHFFFAOYSA-N 0 1 322.369 0.671 20 5 DCBDMN Cc1nn(CCC(=O)N2CCc3[nH]nnc3C2)c(C)c1[N+](=O)[O-] ZINC000359745426 159264942 /nfs/dbraw/zinc/26/49/42/159264942.db2.gz SKQSFZJNOJLVAB-UHFFFAOYSA-N 0 1 319.325 0.501 20 5 DCBDMN C[C@H](CN1CCN(C)CC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357265227 287204523 /nfs/dbraw/zinc/20/45/23/287204523.db2.gz SQLMEYHQMQRCOT-SNVBAGLBSA-N 0 1 322.369 0.137 20 5 DCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C[C@@H](C)c1nn[nH]n1 ZINC000352473223 415189078 /nfs/dbraw/zinc/18/90/78/415189078.db2.gz QYLYUWODFGTGPY-MRVPVSSYSA-N 0 1 322.329 0.265 20 5 DCBDMN CC[C@@H](O)CN1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272598487 415291006 /nfs/dbraw/zinc/29/10/06/415291006.db2.gz XCMPBGOMHXGFFR-CYBMUJFWSA-N 0 1 323.349 0.829 20 5 DCBDMN C[C@@H](CS(C)(=O)=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000081903085 415488265 /nfs/dbraw/zinc/48/82/65/415488265.db2.gz PXEVAMFODXZJRN-JTQLQIEISA-N 0 1 302.352 0.996 20 5 DCBDMN NS(=O)(=O)c1cccc(NCCN2CCC2)c1[N+](=O)[O-] ZINC000353280872 415495037 /nfs/dbraw/zinc/49/50/37/415495037.db2.gz GXSHYBXTTLHLHY-UHFFFAOYSA-N 0 1 300.340 0.360 20 5 DCBDMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000344735494 415978693 /nfs/dbraw/zinc/97/86/93/415978693.db2.gz NHXJNVFRKVWRKZ-ZJUUUORDSA-N 0 1 321.341 0.717 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CCC(C(=O)NC)CC2)c1[N+](=O)[O-] ZINC000345328711 416078587 /nfs/dbraw/zinc/07/85/87/416078587.db2.gz LUMWEFNLVFDREV-UHFFFAOYSA-N 0 1 323.353 0.869 20 5 DCBDMN COC(=O)[C@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000338372782 416087012 /nfs/dbraw/zinc/08/70/12/416087012.db2.gz ISEXFLLAFGPBTQ-POYBYMJQSA-N 0 1 312.282 0.029 20 5 DCBDMN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nnc(C)[nH]1 ZINC000345442298 416096458 /nfs/dbraw/zinc/09/64/58/416096458.db2.gz QKXVVBURKGUWRF-QMMMGPOBSA-N 0 1 322.329 0.892 20 5 DCBDMN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(C)n[nH]1 ZINC000345442298 416096461 /nfs/dbraw/zinc/09/64/61/416096461.db2.gz QKXVVBURKGUWRF-QMMMGPOBSA-N 0 1 322.329 0.892 20 5 DCBDMN COC[C@@H](O)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000338481573 416102341 /nfs/dbraw/zinc/10/23/41/416102341.db2.gz ZIERCDDZHWGJRE-JTQLQIEISA-N 0 1 300.311 0.709 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CCc3n[nH]nc3C2)c1[N+](=O)[O-] ZINC000346075073 416187926 /nfs/dbraw/zinc/18/79/26/416187926.db2.gz OJCPQGCNWCREQX-UHFFFAOYSA-N 0 1 305.298 0.758 20 5 DCBDMN C[C@@H](C[S@](C)=O)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000183209386 416238225 /nfs/dbraw/zinc/23/82/25/416238225.db2.gz IZRWTCRZRSQIJZ-IIYDVTGLSA-N 0 1 324.355 0.779 20 5 DCBDMN CN1CCN(C)[C@@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000342227595 416298030 /nfs/dbraw/zinc/29/80/30/416298030.db2.gz SGTGLZJFYLAEKI-JTQLQIEISA-N 0 1 307.354 0.351 20 5 DCBDMN C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H]1C ZINC000248406612 416333485 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O=C(N[C@H](CO)CC1OCCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001651192002 1173743005 /nfs/dbraw/zinc/74/30/05/1173743005.db2.gz MKDIQXUVGDEYBR-VIFPVBQESA-N 0 1 312.278 0.154 20 5 DCBDMN COC(=O)c1ccnc(N2CC(c3nc(C)n[nH]3)C2)c1[N+](=O)[O-] ZINC001655850575 1173828909 /nfs/dbraw/zinc/82/89/09/1173828909.db2.gz NJKLZZYESDOHJS-UHFFFAOYSA-N 0 1 318.293 0.807 20 5 DCBDMN COC(=O)c1ccnc(N2CC(c3n[nH]c(C)n3)C2)c1[N+](=O)[O-] ZINC001655850575 1173828918 /nfs/dbraw/zinc/82/89/18/1173828918.db2.gz NJKLZZYESDOHJS-UHFFFAOYSA-N 0 1 318.293 0.807 20 5 DCBDMN O=[N+]([O-])c1cnc(NC[C@@]2(CO)COC[C@@H]3CCCN32)nc1 ZINC001655953156 1173831376 /nfs/dbraw/zinc/83/13/76/1173831376.db2.gz OPYJXMUKWIFOFY-GXFFZTMASA-N 0 1 309.326 0.022 20 5 DCBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1CC(C(N)=O)=NO1 ZINC001656200402 1173851530 /nfs/dbraw/zinc/85/15/30/1173851530.db2.gz SKYWWLLKFPKVRN-SNVBAGLBSA-N 0 1 306.322 0.931 20 5 DCBDMN CNC(=O)[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001659076304 1173929765 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O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(Cc2coc(C3CC3)n2)CC1 ZINC001688695626 1176592074 /nfs/dbraw/zinc/59/20/74/1176592074.db2.gz BBLUCHKMIYITQI-CHWSQXEVSA-N 0 1 320.349 0.861 20 5 DCBDMN O=C(NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1O ZINC001689234067 1176754495 /nfs/dbraw/zinc/75/44/95/1176754495.db2.gz UHEGNHWPGQUWRO-OPVGQWETSA-N 0 1 319.317 0.460 20 5 DCBDMN O=C(/C=C\c1ccc[nH]1)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001689307490 1176814025 /nfs/dbraw/zinc/81/40/25/1176814025.db2.gz UXCLGJOOESZRMU-LOTCUDDQSA-N 0 1 318.333 0.482 20 5 DCBDMN Cc1nc(CN(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])oc1C ZINC001689801713 1177058514 /nfs/dbraw/zinc/05/85/14/1177058514.db2.gz YRJGDJSEELAIQN-VXGBXAGGSA-N 0 1 310.354 0.895 20 5 DCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nc(C2CC2)no1 ZINC001690939775 1177356560 /nfs/dbraw/zinc/35/65/60/1177356560.db2.gz JRICARHIUOPJJP-NXEZZACHSA-N 0 1 309.326 0.160 20 5 DCBDMN CCN(CCNCc1ncnn1C(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001699180868 1177917977 /nfs/dbraw/zinc/91/79/77/1177917977.db2.gz BESXVAWOCJQEAL-VXGBXAGGSA-N 0 1 324.385 0.462 20 5 DCBDMN CCN(CCCNC(=O)c1conc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001703733004 1179658729 /nfs/dbraw/zinc/65/87/29/1179658729.db2.gz JXNAWYXSLMRJMA-ZYHUDNBSSA-N 0 1 324.337 0.617 20 5 DCBDMN O=C(CCn1cccc1)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001704588501 1180079270 /nfs/dbraw/zinc/07/92/70/1180079270.db2.gz GJRHBMKKOIDMFV-CHWSQXEVSA-N 0 1 320.349 0.118 20 5 DCBDMN CCc1nc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)co1 ZINC001705259781 1180323885 /nfs/dbraw/zinc/32/38/85/1180323885.db2.gz RGSFOCPWUDZXIB-PSASIEDQSA-N 0 1 322.321 0.281 20 5 DCBDMN CCN(CCCNC(=O)c1cc(C)on1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001720584720 1183660615 /nfs/dbraw/zinc/66/06/15/1183660615.db2.gz IGJGJBYZQGJJSP-ZYHUDNBSSA-N 0 1 324.337 0.617 20 5 DCBDMN O=C(CCc1ccoc1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001721336134 1183896790 /nfs/dbraw/zinc/89/67/90/1183896790.db2.gz IMJZXUDUYCCUNF-VXGBXAGGSA-N 0 1 307.306 0.204 20 5 DCBDMN CN(CCNCc1ccccc1[N+](=O)[O-])C(=O)c1ncn(C)n1 ZINC001731909430 1185565919 /nfs/dbraw/zinc/56/59/19/1185565919.db2.gz WSMMCSCMPPOGQP-UHFFFAOYSA-N 0 1 318.337 0.585 20 5 DCBDMN O=C(NCC1(NCc2nncs2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001733717271 1186413299 /nfs/dbraw/zinc/41/32/99/1186413299.db2.gz ZOGDPGRLIHTEJZ-RKDXNWHRSA-N 0 1 311.367 0.332 20 5 DCBDMN Cc1ocnc1C(=O)NCCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737107475 1187244971 /nfs/dbraw/zinc/24/49/71/1187244971.db2.gz QVEZAFSJQGWYJD-NXEZZACHSA-N 0 1 310.310 0.227 20 5 DCBDMN CCCc1n[nH]cc1C(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737748383 1187398920 /nfs/dbraw/zinc/39/89/20/1187398920.db2.gz GYFJENWRHQUTIE-BXKDBHETSA-N 0 1 323.353 0.216 20 5 DCBDMN CCCN(CCNC(=O)Cc1ccc[nH]1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737862045 1187418798 /nfs/dbraw/zinc/41/87/98/1187418798.db2.gz UQDKYZVRCKOXDP-CHWSQXEVSA-N 0 1 322.365 0.577 20 5 DCBDMN CC(C)N(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc[nH]1 ZINC001739072806 1187740478 /nfs/dbraw/zinc/74/04/78/1187740478.db2.gz UGTOGABUEFHOTN-DGCLKSJQSA-N 0 1 322.365 0.989 20 5 DCBDMN CCCCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001739227892 1187764731 /nfs/dbraw/zinc/76/47/31/1187764731.db2.gz OLTCYRKMUXCJOS-VXGBXAGGSA-N 0 1 309.366 0.903 20 5 DCBDMN CCn1ccc(C(=O)NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC001742859226 1188068026 /nfs/dbraw/zinc/06/80/26/1188068026.db2.gz OTDSGKCXQASSCE-CHWSQXEVSA-N 0 1 322.365 0.718 20 5 DCBDMN CCN(CCCNC(=O)c1cnco1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001743910286 1188171277 /nfs/dbraw/zinc/17/12/77/1188171277.db2.gz JESQXLJSZZQOSH-NXEZZACHSA-N 0 1 310.310 0.308 20 5 DCBDMN O=C(NCCCN(C(=O)c1ncc[nH]1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001744014128 1188176914 /nfs/dbraw/zinc/17/69/14/1188176914.db2.gz BLZRLAQZMXMTOM-GHMZBOCLSA-N 0 1 321.337 0.186 20 5 DCBDMN O=C(NC/C=C/CNC(=O)C1(F)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001747216134 1188251901 /nfs/dbraw/zinc/25/19/01/1188251901.db2.gz VXEQJXICXOBMAF-YIZUVKHSSA-N 0 1 313.329 0.723 20 5 DCBDMN O=C(Cc1cscn1)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001747214863 1188252111 /nfs/dbraw/zinc/25/21/11/1188252111.db2.gz LKVXOCBKMLYUSR-COUIAZAYSA-N 0 1 324.362 0.139 20 5 DCBDMN CCc1ccc(F)cc1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001757986574 1189663322 /nfs/dbraw/zinc/66/33/22/1189663322.db2.gz XAKTYTXCRXXHOH-CHWSQXEVSA-N 0 1 323.324 0.899 20 5 DCBDMN O=C(CCc1cccnc1)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001758171814 1189768709 /nfs/dbraw/zinc/76/87/09/1189768709.db2.gz MQPYWOUMHXLOEJ-CHWSQXEVSA-N 0 1 320.349 0.302 20 5 DCBDMN Cc1ccc(C(=O)NCCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001758335424 1189833257 /nfs/dbraw/zinc/83/32/57/1189833257.db2.gz MLQDDHFJBFAGKL-CHWSQXEVSA-N 0 1 320.349 0.634 20 5 DCBDMN O=C(CCc1cccs1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001759192704 1190117637 /nfs/dbraw/zinc/11/76/37/1190117637.db2.gz JLTIPHHMSWBJCH-VXGBXAGGSA-N 0 1 323.374 0.673 20 5 DCBDMN Cn1ccc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001759888426 1190331508 /nfs/dbraw/zinc/33/15/08/1190331508.db2.gz NRJLXXHICWDJNB-GHMZBOCLSA-N 0 1 306.322 0.069 20 5 DCBDMN Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3OCCN(C)[C@@H]3C2)n1 ZINC001164671293 719378591 /nfs/dbraw/zinc/37/85/91/719378591.db2.gz VXOKXAYBLHTFGX-RKDXNWHRSA-N 0 1 313.745 0.866 20 5 DCBDMN COC(=O)c1ccnc(N2C[C@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164667610 719399608 /nfs/dbraw/zinc/39/96/08/719399608.db2.gz OGQSEZOTLRCXEX-WDEREUQCSA-N 0 1 322.321 0.296 20 5 DCBDMN O=C(NCC=CCNc1ncccc1[N+](=O)[O-])c1cnn[nH]1 ZINC001107585450 752134821 /nfs/dbraw/zinc/13/48/21/752134821.db2.gz WILGVTHSDVLOSZ-OWOJBTEDSA-N 0 1 303.282 0.506 20 5 DCBDMN Cn1ncc(C(=O)NCCNCc2csc([N+](=O)[O-])c2)c1N ZINC001126086850 748213592 /nfs/dbraw/zinc/21/35/92/748213592.db2.gz QZKPYHJGZATNGE-UHFFFAOYSA-N 0 1 324.366 0.492 20 5 DCBDMN Cc1ccnc(N[C@H]2C[C@@H](NC(=O)c3ncn[nH]3)C2)c1[N+](=O)[O-] ZINC001059692366 749473162 /nfs/dbraw/zinc/47/31/62/749473162.db2.gz NMKUUZZPCNZMEV-DTORHVGOSA-N 0 1 317.309 0.789 20 5 DCBDMN Cc1ccnc(N[C@H]2C[C@@H](NC(=O)c3nc[nH]n3)C2)c1[N+](=O)[O-] ZINC001059692366 749473166 /nfs/dbraw/zinc/47/31/66/749473166.db2.gz NMKUUZZPCNZMEV-DTORHVGOSA-N 0 1 317.309 0.789 20 5 DCBDMN O=C(N[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@H]21)c1ncn[nH]1 ZINC001060426698 750949449 /nfs/dbraw/zinc/94/94/49/750949449.db2.gz MCEZKTPAPCOGEV-GDNZZTSVSA-N 0 1 314.305 0.578 20 5 DCBDMN O=C(N[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@H]21)c1nc[nH]n1 ZINC001060426698 750949454 /nfs/dbraw/zinc/94/94/54/750949454.db2.gz MCEZKTPAPCOGEV-GDNZZTSVSA-N 0 1 314.305 0.578 20 5 DCBDMN Cc1cc[nH]c1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062891225 755024211 /nfs/dbraw/zinc/02/42/11/755024211.db2.gz MMVMRFWRIBRCTP-GHMZBOCLSA-N 0 1 320.349 0.757 20 5 DCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)COC(C)C)C1 ZINC001079743752 755993674 /nfs/dbraw/zinc/99/36/74/755993674.db2.gz DWNWYKAKTALIQW-VXGBXAGGSA-N 0 1 313.354 0.136 20 5 DCBDMN CN(CCCNc1ccc([N+](=O)[O-])cn1)C(=O)Cc1ncn[nH]1 ZINC001109516825 761448353 /nfs/dbraw/zinc/44/83/53/761448353.db2.gz VITBIICNVXCTDJ-UHFFFAOYSA-N 0 1 319.325 0.611 20 5 DCBDMN CN(CCNC(=O)CN1CCCC1)c1ncccc1[N+](=O)[O-] ZINC001100115316 763324890 /nfs/dbraw/zinc/32/48/90/763324890.db2.gz JUVPHWLMKSVQBK-UHFFFAOYSA-N 0 1 307.354 0.638 20 5 DCBDMN CCN(CCNC(=O)c1cnn[nH]1)c1ccccc1[N+](=O)[O-] ZINC001100762842 763769485 /nfs/dbraw/zinc/76/94/85/763769485.db2.gz SLJWERKIPCQILS-UHFFFAOYSA-N 0 1 304.310 0.969 20 5 DCBDMN Cc1cc(C(=O)N(C)CCNc2cc[nH]c(=O)c2[N+](=O)[O-])n[nH]1 ZINC001101522601 764132272 /nfs/dbraw/zinc/13/22/72/764132272.db2.gz LVAQZKLUYOFUBB-UHFFFAOYSA-N 0 1 320.309 0.911 20 5 DCBDMN CN1CC[C@@H]1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001134143474 765382120 /nfs/dbraw/zinc/38/21/20/765382120.db2.gz AEFKBDHJGYZJTA-CYBMUJFWSA-N 0 1 320.349 0.535 20 5 DCBDMN CN1CCN(C)[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001136761605 766502664 /nfs/dbraw/zinc/50/26/64/766502664.db2.gz RDOONXLZTVKSRU-LLVKDONJSA-N 0 1 307.354 0.153 20 5 DCBDMN COC[C@H]1CNCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001122417812 767798711 /nfs/dbraw/zinc/79/87/11/767798711.db2.gz JMVFSOOTACTDGA-GFCCVEGCSA-N 0 1 322.365 0.844 20 5 DCBDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001141737638 768590067 /nfs/dbraw/zinc/59/00/67/768590067.db2.gz CEBBLHMLEZLXND-RXMQYKEDSA-N 0 1 310.701 0.982 20 5 DCBDMN Cc1nc(NCCNC(=O)Cc2nnc[nH]2)ccc1[N+](=O)[O-] ZINC001093852922 768748789 /nfs/dbraw/zinc/74/87/89/768748789.db2.gz XNHNNWCWNHGKCS-UHFFFAOYSA-N 0 1 305.298 0.187 20 5 DCBDMN Cc1ccc(NCCNC(=O)Cc2nnc[nH]2)c([N+](=O)[O-])c1 ZINC001093852519 768749070 /nfs/dbraw/zinc/74/90/70/768749070.db2.gz NASDTEHVJBWKTR-UHFFFAOYSA-N 0 1 304.310 0.792 20 5 DCBDMN CN1CC(C(=O)NCCNc2ncccc2[N+](=O)[O-])=NC1=O ZINC001094091555 768856911 /nfs/dbraw/zinc/85/69/11/768856911.db2.gz VNJYUDYVGQKUJC-UHFFFAOYSA-N 0 1 306.282 0.271 20 5 DCBDMN COc1c(C(=O)NC2(c3nn[nH]n3)CCC2)cccc1[N+](=O)[O-] ZINC001176725722 770158382 /nfs/dbraw/zinc/15/83/82/770158382.db2.gz NFQVWCUOJGOTSE-UHFFFAOYSA-N 0 1 318.293 0.926 20 5 DCBDMN CCOC(=O)c1c(CN)ncn1-c1ncc([N+](=O)[O-])c(C)n1 ZINC001155083080 770391627 /nfs/dbraw/zinc/39/16/27/770391627.db2.gz AVBOZPJGXKFRBT-UHFFFAOYSA-N 0 1 306.282 0.514 20 5 DCBDMN COc1nc(NCc2nnc3n2CCCNC3)ncc1[N+](=O)[O-] ZINC001155425448 770498696 /nfs/dbraw/zinc/49/86/96/770498696.db2.gz YDBLOGLRXVGMRE-UHFFFAOYSA-N 0 1 320.313 0.090 20 5 DCBDMN COc1nc(C)c([N+](=O)[O-])c(NCCNC(=O)C(F)(F)F)n1 ZINC001156203035 770747764 /nfs/dbraw/zinc/74/77/64/770747764.db2.gz DRAJWTKPEVXJPD-UHFFFAOYSA-N 0 1 323.231 0.792 20 5 DCBDMN C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001181441981 771291851 /nfs/dbraw/zinc/29/18/51/771291851.db2.gz JFIAISCYVYOJRX-INTQDDNPSA-N 0 1 306.322 0.765 20 5 DCBDMN C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001181441981 771291854 /nfs/dbraw/zinc/29/18/54/771291854.db2.gz JFIAISCYVYOJRX-INTQDDNPSA-N 0 1 306.322 0.765 20 5 DCBDMN C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001181441981 771291859 /nfs/dbraw/zinc/29/18/59/771291859.db2.gz JFIAISCYVYOJRX-INTQDDNPSA-N 0 1 306.322 0.765 20 5 DCBDMN CCOC(=O)c1c(CN)ncn1-c1nc(OC)ccc1[N+](=O)[O-] ZINC001162531187 772386382 /nfs/dbraw/zinc/38/63/82/772386382.db2.gz SKXAQPBEQWNOLO-UHFFFAOYSA-N 0 1 321.293 0.820 20 5 DCBDMN CCOC(=O)c1c(CN)ncn1-c1cc([N+](=O)[O-])cnc1OC ZINC001162538113 772388575 /nfs/dbraw/zinc/38/85/75/772388575.db2.gz ZIWAYXCUZUHHSY-UHFFFAOYSA-N 0 1 321.293 0.820 20 5 DCBDMN Cc1ccc([N+](=O)[O-])c(NCc2nnc3n2CCCNC3)n1 ZINC001163017757 772444631 /nfs/dbraw/zinc/44/46/31/772444631.db2.gz UUFSQDJTKHAMLV-UHFFFAOYSA-N 0 1 303.326 0.995 20 5 DCBDMN COc1ccc([N+](=O)[O-])nc1NCc1nnc2n1CCCNC2 ZINC001163017861 772444701 /nfs/dbraw/zinc/44/47/01/772444701.db2.gz ZZAZHJGBSMFCHL-UHFFFAOYSA-N 0 1 319.325 0.695 20 5 DCBDMN COc1nc(C)c([N+](=O)[O-])c(N2CC(N(C)[C@@H]3CCOC3)C2)n1 ZINC001165205317 772704595 /nfs/dbraw/zinc/70/45/95/772704595.db2.gz IEBJLHIVMVIHEL-SNVBAGLBSA-N 0 1 323.353 0.611 20 5 DCBDMN COC(=O)[C@H]1CNCCN1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001165440258 772737779 /nfs/dbraw/zinc/73/77/79/772737779.db2.gz YQCCWOLEFLYUSH-GFCCVEGCSA-N 0 1 317.305 0.489 20 5 DCBDMN COC(=O)CC1(NCc2cn(C)nc2[N+](=O)[O-])CCOCC1 ZINC001191910164 772836427 /nfs/dbraw/zinc/83/64/27/772836427.db2.gz LNXLMMTZLJLPEH-UHFFFAOYSA-N 0 1 312.326 0.530 20 5 DCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H]2CCSC2)n1 ZINC001193628857 773091645 /nfs/dbraw/zinc/09/16/45/773091645.db2.gz RNODAXJKVYTPMY-MRVPVSSYSA-N 0 1 320.396 0.750 20 5 DCBDMN COC[C@](C)(CO)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001196868740 773661555 /nfs/dbraw/zinc/66/15/55/773661555.db2.gz CAAOEFDEYIJHGR-AWEZNQCLSA-N 0 1 311.338 0.829 20 5 DCBDMN O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](c3nnn[n-]3)C2)c1 ZINC001197297139 773727346 /nfs/dbraw/zinc/72/73/46/773727346.db2.gz NYKQPQQNQQWOSH-CMPLNLGQSA-N 0 1 304.310 0.631 20 5 DCBDMN O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H](c3nnn[n-]3)C2)c1 ZINC001197297139 773727348 /nfs/dbraw/zinc/72/73/48/773727348.db2.gz NYKQPQQNQQWOSH-CMPLNLGQSA-N 0 1 304.310 0.631 20 5 DCBDMN NC(=O)CC(=O)NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226699089 775864706 /nfs/dbraw/zinc/86/47/06/775864706.db2.gz LCIPPZXYRGQYAO-UHFFFAOYSA-N 0 1 320.349 0.551 20 5 DCBDMN Cc1cc([O-])c(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1[N+](=O)[O-] ZINC001229749955 776222646 /nfs/dbraw/zinc/22/26/46/776222646.db2.gz ITXGWNNRRDHYSN-SNVBAGLBSA-O 0 1 313.330 0.971 20 5 DCBDMN Cc1ocnc1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001066961456 776562309 /nfs/dbraw/zinc/56/23/09/776562309.db2.gz RHQCNPUMBZIGGP-GHMZBOCLSA-N 0 1 324.337 0.569 20 5 DCBDMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnns1 ZINC001266560687 939164595 /nfs/dbraw/zinc/16/45/95/939164595.db2.gz SJRISHWLRYZJOE-GHMZBOCLSA-N 0 1 313.383 0.532 20 5 DCBDMN CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1ccon1 ZINC001481211168 939634340 /nfs/dbraw/zinc/63/43/40/939634340.db2.gz RBKFAGHBMYLHAZ-UHFFFAOYSA-N 0 1 308.298 0.178 20 5 DCBDMN CC1(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCCC1 ZINC001299201043 941613881 /nfs/dbraw/zinc/61/38/81/941613881.db2.gz CPCUYLWVBABAMG-GHMZBOCLSA-N 0 1 309.366 0.997 20 5 DCBDMN CCn1ccc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC001491281483 943889775 /nfs/dbraw/zinc/88/97/75/943889775.db2.gz BEIONFSOUBPJPS-VXGBXAGGSA-N 0 1 308.338 0.328 20 5 DCBDMN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H](O)Cn1ccnn1 ZINC001462331306 1013061797 /nfs/dbraw/zinc/06/17/97/1013061797.db2.gz IWHCYOHSMLXAFZ-NSHDSACASA-N 0 1 311.729 0.990 20 5 DCBDMN CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H]1CN2CCC1CC2 ZINC001320010167 945717927 /nfs/dbraw/zinc/71/79/27/945717927.db2.gz MYFSZNVMJQEEIK-LBPRGKRZSA-N 0 1 320.349 0.309 20 5 DCBDMN CCc1nc([C@@H](C)NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC001324578096 947463569 /nfs/dbraw/zinc/46/35/69/947463569.db2.gz RJYBVEXLMMTNOC-MRVPVSSYSA-N 0 1 320.309 0.314 20 5 DCBDMN O=C(Cc1cnc[nH]1)NCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001094150581 947791323 /nfs/dbraw/zinc/79/13/23/947791323.db2.gz QCQQGAXGGSICOR-UHFFFAOYSA-N 0 1 306.282 0.189 20 5 DCBDMN Cc1nc(NCCNC(=O)Cc2cnc[nH]2)ccc1[N+](=O)[O-] ZINC001094150672 947792166 /nfs/dbraw/zinc/79/21/66/947792166.db2.gz UTUKGIBZRZKEGS-UHFFFAOYSA-N 0 1 304.310 0.792 20 5 DCBDMN Cc1conc1CN(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001273507648 947932755 /nfs/dbraw/zinc/93/27/55/947932755.db2.gz IEMXUQUCIYWGSG-DGCLKSJQSA-N 0 1 310.354 0.929 20 5 DCBDMN CN1CCN(C2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001326788006 948278674 /nfs/dbraw/zinc/27/86/74/948278674.db2.gz RFTVVCNSBGRAMA-UHFFFAOYSA-N 0 1 304.350 0.667 20 5 DCBDMN O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCNCC1 ZINC001328490969 948922027 /nfs/dbraw/zinc/92/20/27/948922027.db2.gz AHJAHDGGSSIAIT-UHFFFAOYSA-N 0 1 318.377 0.991 20 5 DCBDMN O=C(CC1CC1)NCCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001489040695 949422677 /nfs/dbraw/zinc/42/26/77/949422677.db2.gz HDUDWAWKNPZBEY-VXGBXAGGSA-N 0 1 309.366 0.854 20 5 DCBDMN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC001329520447 949661026 /nfs/dbraw/zinc/66/10/26/949661026.db2.gz IHBOWARDKJGWCB-PHIMTYICSA-N 0 1 306.322 0.109 20 5 DCBDMN CC(C)OCC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001489804467 950161360 /nfs/dbraw/zinc/16/13/60/950161360.db2.gz JZTSVIWABNIABI-WRWGMCAJSA-N 0 1 313.354 0.088 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1[N+](=O)[O-] ZINC001330247352 950228594 /nfs/dbraw/zinc/22/85/94/950228594.db2.gz WPCXBGMTYATHOT-HORACTTISA-N 0 1 312.351 0.752 20 5 DCBDMN C[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001576214233 950658597 /nfs/dbraw/zinc/65/85/97/950658597.db2.gz NOWQFGSMGQEUNL-RNCFNFMXSA-N 0 1 318.337 0.978 20 5 DCBDMN O=C(NCCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cc[nH]c1 ZINC001281537996 951532922 /nfs/dbraw/zinc/53/29/22/951532922.db2.gz XVKLEOHWNSFXCS-VXGBXAGGSA-N 0 1 320.349 0.696 20 5 DCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC(N2CCN(C)CC2)C1 ZINC001334932945 952415683 /nfs/dbraw/zinc/41/56/83/952415683.db2.gz FFJJJXHYGTVECR-UHFFFAOYSA-N 0 1 307.354 0.005 20 5 DCBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCN(C)C1 ZINC001336943393 952788438 /nfs/dbraw/zinc/78/84/38/952788438.db2.gz SJOJDLIORVESOI-LLVKDONJSA-N 0 1 320.349 0.970 20 5 DCBDMN COCCn1c(C[N+](=O)[O-])nnc1N1CCN(C2CCC2)CC1 ZINC001345646024 953695853 /nfs/dbraw/zinc/69/58/53/953695853.db2.gz JDTHUPRGSCYDQP-UHFFFAOYSA-N 0 1 324.385 0.376 20 5 DCBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1scnc1C1CC1 ZINC001283005721 953907156 /nfs/dbraw/zinc/90/71/56/953907156.db2.gz YUDMJOHJUWJLJF-RKDXNWHRSA-N 0 1 324.362 0.532 20 5 DCBDMN O=C(OCc1nnc[nH]1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001346734111 953949244 /nfs/dbraw/zinc/94/92/44/953949244.db2.gz ZHROOFPPPMJWIQ-UHFFFAOYSA-N 0 1 306.234 0.841 20 5 DCBDMN C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C(=O)[O-] ZINC001589355646 954137513 /nfs/dbraw/zinc/13/75/13/954137513.db2.gz UELSZSCCRMPLNF-CMPLNLGQSA-N 0 1 309.322 0.799 20 5 DCBDMN 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CCOC[C@H](C(=O)OC)N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000610943008 396789339 /nfs/dbraw/zinc/78/93/39/396789339.db2.gz SCLXBBSGIDUVMH-MRVPVSSYSA-N 0 1 314.298 0.276 20 5 DCBDMN CNC(=O)C[C@@H](C)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590661075 396819968 /nfs/dbraw/zinc/81/99/68/396819968.db2.gz IGFZGMZTUTXKKW-SECBINFHSA-N 0 1 309.322 0.980 20 5 DCBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1nn[nH]n1 ZINC000611149880 396823681 /nfs/dbraw/zinc/82/36/81/396823681.db2.gz CPQAMYJGDKELLN-UHFFFAOYSA-N 0 1 301.266 0.448 20 5 DCBDMN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)N(C)C ZINC000590763313 396835827 /nfs/dbraw/zinc/83/58/27/396835827.db2.gz PZTJPISPMJJGRZ-VIFPVBQESA-N 0 1 317.367 0.832 20 5 DCBDMN COc1cccc(C(=O)NCCN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600533086 396884796 /nfs/dbraw/zinc/88/47/96/396884796.db2.gz JQZADMLAZBWYBL-SNVBAGLBSA-N 0 1 309.322 0.400 20 5 DCBDMN O=C(NCCNc1ncccn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611555368 396886070 /nfs/dbraw/zinc/88/60/70/396886070.db2.gz ANVYYEWROMOROC-UHFFFAOYSA-N 0 1 303.278 0.932 20 5 DCBDMN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2nn[nH]n2)s1 ZINC000611925027 396949062 /nfs/dbraw/zinc/94/90/62/396949062.db2.gz CURAMFCGBYOZKL-UHFFFAOYSA-N 0 1 304.313 0.185 20 5 DCBDMN C[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000592376429 397163722 /nfs/dbraw/zinc/16/37/22/397163722.db2.gz LMXWZAHQGSCMBQ-BDAKNGLRSA-N 0 1 300.340 0.361 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000598175242 397184222 /nfs/dbraw/zinc/18/42/22/397184222.db2.gz KLYKOCVRQRKJPO-PSASIEDQSA-N 0 1 321.337 0.621 20 5 DCBDMN COC(=O)[C@@H]1CNCCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000592548076 397207488 /nfs/dbraw/zinc/20/74/88/397207488.db2.gz MILUYXINXJTNMT-ZDUSSCGKSA-N 0 1 321.333 0.880 20 5 DCBDMN COC(=O)[C@@H]1CNCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000592547592 397207942 /nfs/dbraw/zinc/20/79/42/397207942.db2.gz HNBQUEUCFSJJIW-QMMMGPOBSA-N 0 1 313.335 0.633 20 5 DCBDMN Cc1cc(C(=O)NC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)no1 ZINC000364741984 397241835 /nfs/dbraw/zinc/24/18/35/397241835.db2.gz WLNKBAYQMWVHHM-ZYHUDNBSSA-N 0 1 322.321 0.369 20 5 DCBDMN CN(CC(=O)NC[C@H]1COCCN1)c1ccccc1[N+](=O)[O-] ZINC000602551146 397438206 /nfs/dbraw/zinc/43/82/06/397438206.db2.gz NHPMNZJIEYRUMF-NSHDSACASA-N 0 1 308.338 0.136 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000578948114 397504241 /nfs/dbraw/zinc/50/42/41/397504241.db2.gz NRGVRRXWRASQBP-SCZZXKLOSA-N 0 1 312.326 0.086 20 5 DCBDMN COCCOCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000067832310 158040594 /nfs/dbraw/zinc/04/05/94/158040594.db2.gz KVEJPBYDPZYSHZ-UHFFFAOYSA-N 0 1 308.294 0.864 20 5 DCBDMN Cn1cnc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000091868777 158110707 /nfs/dbraw/zinc/11/07/07/158110707.db2.gz XIQKQYJDXIHFOK-UHFFFAOYSA-N 0 1 301.266 0.530 20 5 DCBDMN NC(=O)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCC1 ZINC000119000585 158181360 /nfs/dbraw/zinc/18/13/60/158181360.db2.gz BVHZLHYKBJMCBN-SECBINFHSA-N 0 1 309.326 0.872 20 5 DCBDMN O=C(NCCNC(=O)c1ccc(F)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000138397436 287029209 /nfs/dbraw/zinc/02/92/09/287029209.db2.gz LPMXAPIUXXNSNL-UHFFFAOYSA-N 0 1 321.268 0.617 20 5 DCBDMN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCNCC1 ZINC000237880548 287067813 /nfs/dbraw/zinc/06/78/13/287067813.db2.gz OMDRNCQQWXCENC-UHFFFAOYSA-N 0 1 302.290 0.482 20 5 DCBDMN Nc1c(C(=O)N[C@H](CO)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000340834469 287149802 /nfs/dbraw/zinc/14/98/02/287149802.db2.gz WROGGGGTDOYOCD-NSHDSACASA-N 0 1 322.365 0.754 20 5 DCBDMN O=C(N[C@@H]1CC[S@@](=O)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000342729576 415272980 /nfs/dbraw/zinc/27/29/80/415272980.db2.gz GDJOWIIIBBMDSY-WODJRTHDSA-N 0 1 308.319 0.722 20 5 DCBDMN COc1ccc(OCCN(C)[C@@H]2COC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352792128 415319880 /nfs/dbraw/zinc/31/98/80/415319880.db2.gz KRNSERRIQRRCBP-OLZOCXBDSA-N 0 1 312.322 0.674 20 5 DCBDMN COC(=O)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000343144851 415472878 /nfs/dbraw/zinc/47/28/78/415472878.db2.gz UNCJMFYQUBZYHG-JTQLQIEISA-N 0 1 320.261 0.668 20 5 DCBDMN O=C(NCCOc1ccc2c(c1)OCO2)c1n[nH]cc1[N+](=O)[O-] ZINC000343160492 415480539 /nfs/dbraw/zinc/48/05/39/415480539.db2.gz TYCDJUVKTHMXCB-UHFFFAOYSA-N 0 1 320.261 0.855 20 5 DCBDMN CCn1nc(C)c([N+](=O)[O-])c1NCCCN1CCC[C@@H]1C(N)=O ZINC000280823583 415544646 /nfs/dbraw/zinc/54/46/46/415544646.db2.gz YJAFWVBYEPYEKT-LLVKDONJSA-N 0 1 324.385 0.871 20 5 DCBDMN Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000343766553 415716518 /nfs/dbraw/zinc/71/65/18/415716518.db2.gz OLHHHNDTAOTYHX-UHFFFAOYSA-N 0 1 307.314 0.532 20 5 DCBDMN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000290540479 415818468 /nfs/dbraw/zinc/81/84/68/415818468.db2.gz DFSNNFKHNRHHMD-WRWORJQWSA-N 0 1 314.319 0.463 20 5 DCBDMN COc1c(C(=O)N(C)C[C@H](C)c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC000356759195 415983120 /nfs/dbraw/zinc/98/31/20/415983120.db2.gz DWAWEYIOOMZBPF-QMMMGPOBSA-N 0 1 320.309 0.992 20 5 DCBDMN O=C(NCCCc1nc(=O)[nH][nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000174575957 416082060 /nfs/dbraw/zinc/08/20/60/416082060.db2.gz IIASUQPHOVMDOM-UHFFFAOYSA-N 0 1 309.257 0.508 20 5 DCBDMN Cc1nn(C)c(N2CCN(C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000301516437 416085338 /nfs/dbraw/zinc/08/53/38/416085338.db2.gz BXLSWVQLCWZCBY-GFCCVEGCSA-N 0 1 309.370 0.795 20 5 DCBDMN O=C(NC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC000176208931 416120372 /nfs/dbraw/zinc/12/03/72/416120372.db2.gz WMSWAFKHWHQYQW-UHFFFAOYSA-N 0 1 307.354 0.782 20 5 DCBDMN C[C@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000189713928 416270315 /nfs/dbraw/zinc/27/03/15/416270315.db2.gz QNEKDNPVCIDMDD-JTQLQIEISA-N 0 1 309.322 0.439 20 5 DCBDMN NC(=O)[C@H]1CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192803837 416310903 /nfs/dbraw/zinc/31/09/03/416310903.db2.gz PJZANNGECWRYLD-GFCCVEGCSA-N 0 1 306.322 0.873 20 5 DCBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1CC(C)(C)O ZINC000331272425 416298972 /nfs/dbraw/zinc/29/89/72/416298972.db2.gz GVRQQCWGXHPAQG-JTQLQIEISA-N 0 1 310.354 0.840 20 5 DCBDMN COc1ccc(NC(=O)C(=O)N2CCN[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000415409427 416341876 /nfs/dbraw/zinc/34/18/76/416341876.db2.gz DHKQXJURLYADJI-VIFPVBQESA-N 0 1 322.321 0.362 20 5 DCBDMN C[C@H]1CN(CCCNc2ccc(N)c([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000590570594 416527392 /nfs/dbraw/zinc/52/73/92/416527392.db2.gz XQFFIXQWFQOWNL-QWRGUYRKSA-N 0 1 309.370 1.483 20 5 DCBDMN C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000542807316 416632499 /nfs/dbraw/zinc/63/24/99/416632499.db2.gz RCZMSSHOUAKEGS-ZETCQYMHSA-N 0 1 302.308 0.463 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-][C@H]2CCC[NH2+][C@H]2C)c([N+](=O)[O-])n1 ZINC000440816907 416649887 /nfs/dbraw/zinc/64/98/87/416649887.db2.gz AZQMBRBTFXWVGE-IUCAKERBSA-N 0 1 317.371 0.230 20 5 DCBDMN Cn1cnc([N+](=O)[O-])c1CNC1(CO)Cc2ccccc2C1 ZINC000370057143 416875314 /nfs/dbraw/zinc/87/53/14/416875314.db2.gz UQOFFHIURWNFIU-UHFFFAOYSA-N 0 1 302.334 0.948 20 5 DCBDMN C[C@H](C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000565106925 416924395 /nfs/dbraw/zinc/92/43/95/416924395.db2.gz ZTJAGMSXDPCOGU-PWSUYJOCSA-N 0 1 312.322 0.987 20 5 DCBDMN Cn1cc([C@H]2OCCC[C@@H]2NC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC000432744579 417198857 /nfs/dbraw/zinc/19/88/57/417198857.db2.gz KTJASHQBJYPTME-JOYOIKCWSA-N 0 1 320.309 0.702 20 5 DCBDMN Cc1nc(N2CCN(CC(C)(C)O)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450468415 417232333 /nfs/dbraw/zinc/23/23/33/417232333.db2.gz GCCNGFYSFCKXNX-JTQLQIEISA-N 0 1 309.370 0.975 20 5 DCBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451632745 417370292 /nfs/dbraw/zinc/37/02/92/417370292.db2.gz KPHFVDGFILFPCP-PHIMTYICSA-N 0 1 305.290 0.308 20 5 DCBDMN Cc1c(NC(=O)C(=O)N2CCNC[C@H]2C)cccc1[N+](=O)[O-] ZINC000415349512 417370291 /nfs/dbraw/zinc/37/02/91/417370291.db2.gz XPWYKPMGZXEQNN-SECBINFHSA-N 0 1 306.322 0.662 20 5 DCBDMN O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1cccc([N+](=O)[O-])c1[O-] ZINC000452359859 417472291 /nfs/dbraw/zinc/47/22/91/417472291.db2.gz HTCNLRIXIPPFEB-LLVKDONJSA-N 0 1 323.349 0.877 20 5 DCBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000452386006 417480561 /nfs/dbraw/zinc/48/05/61/417480561.db2.gz WIDANPFJALUEPL-SNVBAGLBSA-N 0 1 323.353 0.149 20 5 DCBDMN C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[NH2+]1 ZINC000575923002 417563623 /nfs/dbraw/zinc/56/36/23/417563623.db2.gz SDGVQNBNDPZGOZ-RKDXNWHRSA-N 0 1 300.340 0.409 20 5 DCBDMN CNc1nccc(C(=O)N2CCN(CC(C)C)CC2)c1[N+](=O)[O-] ZINC000577505781 417677826 /nfs/dbraw/zinc/67/78/26/417677826.db2.gz MLEUFOYHOXXTAZ-UHFFFAOYSA-N 0 1 321.381 1.445 20 5 DCBDMN COC(=O)[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000356509489 261433044 /nfs/dbraw/zinc/43/30/44/261433044.db2.gz HKVXCTXURIMYMI-LLVKDONJSA-N 0 1 310.262 0.314 20 5 DCBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@H](C)N1CCO ZINC000412381080 262187499 /nfs/dbraw/zinc/18/74/99/262187499.db2.gz SNQFUEMFXKNCHH-AOOOYVTPSA-N 0 1 324.337 0.223 20 5 DCBDMN C[C@H](NC(=O)C(=O)N1CCN[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000418774184 262288656 /nfs/dbraw/zinc/28/86/56/262288656.db2.gz CXPNUQTXAYGWTE-MNOVXSKESA-N 0 1 320.349 0.592 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-]C(C)(C)CC[NH3+])c([N+](=O)[O-])n1 ZINC000422558697 262418176 /nfs/dbraw/zinc/41/81/76/262418176.db2.gz ZKHJQPQBCSNLJB-UHFFFAOYSA-N 0 1 305.360 0.217 20 5 DCBDMN CC(C)(NC(=O)COc1cccc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC000359791288 271143789 /nfs/dbraw/zinc/14/37/89/271143789.db2.gz QMUGZKONHMANLL-UHFFFAOYSA-N 0 1 306.282 0.538 20 5 DCBDMN O=C([O-])c1cnc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000582668497 337118681 /nfs/dbraw/zinc/11/86/81/337118681.db2.gz CAZRWZFDNPMNAU-PHIMTYICSA-N 0 1 322.321 0.963 20 5 DCBDMN Cc1cc(C(=O)NCCN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000147509860 526267078 /nfs/dbraw/zinc/26/70/78/526267078.db2.gz HPKWJDMHNOEUHB-UHFFFAOYSA-N 0 1 306.366 0.880 20 5 DCBDMN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000267337122 526713178 /nfs/dbraw/zinc/71/31/78/526713178.db2.gz HJWDNYXXTALTDT-NSHDSACASA-N 0 1 308.338 0.717 20 5 DCBDMN O=C([O-])[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000821511070 597787861 /nfs/dbraw/zinc/78/78/61/597787861.db2.gz BOWBCOMQUVLBBD-QWRGUYRKSA-N 0 1 310.306 0.741 20 5 DCBDMN C[C@H](C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1)C(=O)[O-] ZINC000827449851 600823146 /nfs/dbraw/zinc/82/31/46/600823146.db2.gz OXNXJRMYZVBGQO-BXKDBHETSA-N 0 1 312.326 0.337 20 5 DCBDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000833627262 605100094 /nfs/dbraw/zinc/10/00/94/605100094.db2.gz VUFJJFFLHSJMAL-SECBINFHSA-N 0 1 310.310 0.544 20 5 DCBDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000833626585 605162146 /nfs/dbraw/zinc/16/21/46/605162146.db2.gz PTTZQYRJTIESIF-SNVBAGLBSA-N 0 1 322.321 0.611 20 5 DCBDMN Cc1nc(CCNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)n[nH]1 ZINC000822441377 606198864 /nfs/dbraw/zinc/19/88/64/606198864.db2.gz XMXNQTQRVZVLHN-UHFFFAOYSA-N 0 1 315.297 0.856 20 5 DCBDMN COCC[N@H+](C)CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821689155 606706999 /nfs/dbraw/zinc/70/69/99/606706999.db2.gz NHCNSCWWQSJBLV-UHFFFAOYSA-N 0 1 322.329 0.160 20 5 DCBDMN COCC[N@@H+](C)CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821689155 606707001 /nfs/dbraw/zinc/70/70/01/606707001.db2.gz NHCNSCWWQSJBLV-UHFFFAOYSA-N 0 1 322.329 0.160 20 5 DCBDMN COCC[N@H+](C)CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821689155 606707003 /nfs/dbraw/zinc/70/70/03/606707003.db2.gz NHCNSCWWQSJBLV-UHFFFAOYSA-N 0 1 322.329 0.160 20 5 DCBDMN COCC[N@@H+](C)CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821689155 606707004 /nfs/dbraw/zinc/70/70/04/606707004.db2.gz NHCNSCWWQSJBLV-UHFFFAOYSA-N 0 1 322.329 0.160 20 5 DCBDMN Cc1cc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)[nH]n1 ZINC000979513305 660767451 /nfs/dbraw/zinc/76/74/51/660767451.db2.gz CQFTZRVILCFURB-DNRKLUKYSA-N 0 1 321.337 0.008 20 5 DCBDMN Cn1cccc1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979737641 660809661 /nfs/dbraw/zinc/80/96/61/660809661.db2.gz HHYQKIGNTAGHAA-PRULPYPASA-N 0 1 320.349 0.315 20 5 DCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCOC[C@H]2CC2CC2)c1 ZINC000933211075 658560825 /nfs/dbraw/zinc/56/08/25/658560825.db2.gz YTJJMRXCROQEEN-TZMCWYRMSA-N 0 1 310.354 0.653 20 5 DCBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc(F)nc1 ZINC000973106333 659105453 /nfs/dbraw/zinc/10/54/53/659105453.db2.gz KNCXOQOEAIANLT-GWOFURMSSA-N 0 1 322.296 0.263 20 5 DCBDMN Cc1ccc(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC000974044032 659163289 /nfs/dbraw/zinc/16/32/89/659163289.db2.gz XKRHPLADTQRWFT-LYIQGSDWSA-N 0 1 321.333 0.559 20 5 DCBDMN O=C(Cc1ccco1)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973254681 659208817 /nfs/dbraw/zinc/20/88/17/659208817.db2.gz OXKFCYRZAPLFBM-CNVPUSNMSA-N 0 1 307.306 0.251 20 5 DCBDMN O=C(N[C@@H]1C[C@H](NC(=O)C2C=CC=CC=C2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000974112427 659213834 /nfs/dbraw/zinc/21/38/34/659213834.db2.gz XZDXEMFDGNZODH-XJFOESAGSA-N 0 1 317.345 0.713 20 5 DCBDMN O=C(Cc1cncs1)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973257942 659214184 /nfs/dbraw/zinc/21/41/84/659214184.db2.gz OJHCCAMDLKDWBM-YJFSRANCSA-N 0 1 324.362 0.114 20 5 DCBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)c3cc(F)c[nH]3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976479182 659357051 /nfs/dbraw/zinc/35/70/51/659357051.db2.gz XACKTVBWUAIQJT-VZSYODPGSA-N 0 1 322.296 0.006 20 5 DCBDMN C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000048742699 661973920 /nfs/dbraw/zinc/97/39/20/661973920.db2.gz IXFBPVWKHVYQGK-QMMMGPOBSA-N 0 1 301.324 0.283 20 5 DCBDMN C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000048742699 661973922 /nfs/dbraw/zinc/97/39/22/661973922.db2.gz IXFBPVWKHVYQGK-QMMMGPOBSA-N 0 1 301.324 0.283 20 5 DCBDMN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CCN1C ZINC000896580775 662295301 /nfs/dbraw/zinc/29/53/01/662295301.db2.gz NJEXUALYNYZXST-FZMZJTMJSA-N 0 1 306.366 0.959 20 5 DCBDMN CC(C)(C)OC(=O)N1CCCO[C@H](CNCC[N+](=O)[O-])C1 ZINC000905278761 663544897 /nfs/dbraw/zinc/54/48/97/663544897.db2.gz FXCCPAMLTNJSED-LLVKDONJSA-N 0 1 303.359 0.879 20 5 DCBDMN CC(C)c1n[nH]cc1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991287323 663945646 /nfs/dbraw/zinc/94/56/46/663945646.db2.gz ISEYWBIVIRFOOA-MWLCHTKSSA-N 0 1 321.337 0.139 20 5 DCBDMN Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(F)c1 ZINC000991289947 663948284 /nfs/dbraw/zinc/94/82/84/663948284.db2.gz JAYMSEQKWQMZPU-DGCLKSJQSA-N 0 1 321.308 0.740 20 5 DCBDMN CCc1ncc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC000991289410 663953918 /nfs/dbraw/zinc/95/39/18/663953918.db2.gz ZLNAMNQYTRBYJM-RKDXNWHRSA-N 0 1 324.362 0.311 20 5 DCBDMN Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1F ZINC000991291592 663955740 /nfs/dbraw/zinc/95/57/40/663955740.db2.gz VZUYGBWUEHMLGT-DGCLKSJQSA-N 0 1 321.308 0.740 20 5 DCBDMN CN(C)c1cccc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001030292283 664504019 /nfs/dbraw/zinc/50/40/19/664504019.db2.gz ANMKGLRKNHLUMS-HUUCEWRRSA-N 0 1 318.377 0.718 20 5 DCBDMN O=C(NC1CN(Cc2nc3ccccc3o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030291992 664504148 /nfs/dbraw/zinc/50/41/48/664504148.db2.gz RCKQNUUQCLGLHX-ZYHUDNBSSA-N 0 1 316.317 0.793 20 5 DCBDMN COc1ccc(C)cc1CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030294237 664505490 /nfs/dbraw/zinc/50/54/90/664505490.db2.gz CCVPROQQZUCROZ-ZIAGYGMSSA-N 0 1 319.361 0.969 20 5 DCBDMN CC1(C)CC(CC(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000998083682 665397330 /nfs/dbraw/zinc/39/73/30/665397330.db2.gz CAQVFSXAVSKCHS-VXGBXAGGSA-N 0 1 309.366 0.805 20 5 DCBDMN Cc1csc(C(=O)NCC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001001744657 666096217 /nfs/dbraw/zinc/09/62/17/666096217.db2.gz NUMPJLBJSWOBEU-GHMZBOCLSA-N 0 1 323.374 0.910 20 5 DCBDMN O=C(CC1CCCC1)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001795121 666103111 /nfs/dbraw/zinc/10/31/11/666103111.db2.gz AWNPUIWNALQIAN-CHWSQXEVSA-N 0 1 309.366 0.807 20 5 DCBDMN CC1(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000943699660 666308350 /nfs/dbraw/zinc/30/83/50/666308350.db2.gz NSARQZFUNSIECP-DDHJBXDOSA-N 0 1 309.366 0.995 20 5 DCBDMN O=C(CC1CC1)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000944933211 666546707 /nfs/dbraw/zinc/54/67/07/666546707.db2.gz DZLFGCKOYWIHDN-CHWSQXEVSA-N 0 1 321.377 0.903 20 5 DCBDMN CC1(N2CCOCC2)CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000863314753 667126858 /nfs/dbraw/zinc/12/68/58/667126858.db2.gz WVCFRCSVMYFNND-UHFFFAOYSA-N 0 1 309.370 0.936 20 5 DCBDMN C[C@@H]1[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCS1(=O)=O ZINC000863581327 667160004 /nfs/dbraw/zinc/16/00/04/667160004.db2.gz QIWFZWRUYGYAAA-OASPWFOLSA-N 0 1 314.363 0.793 20 5 DCBDMN O=C(N[C@H]1CCN(c2ccccc2F)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839679256 668134293 /nfs/dbraw/zinc/13/42/93/668134293.db2.gz GTRXXRACRRVRRO-UBHAPETDSA-N 0 1 307.281 0.712 20 5 DCBDMN Cc1cc(CC(=O)OCCn2cc([N+](=O)[O-])ccc2=O)n[nH]1 ZINC000761420714 668327255 /nfs/dbraw/zinc/32/72/55/668327255.db2.gz GHTSIMIMGTUKMC-UHFFFAOYSA-N 0 1 306.278 0.574 20 5 DCBDMN C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000792522091 669672320 /nfs/dbraw/zinc/67/23/20/669672320.db2.gz XZBWBWYFVLXOQA-ZETCQYMHSA-N 0 1 313.314 0.961 20 5 DCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2nocc2C)C1 ZINC000950055976 670489242 /nfs/dbraw/zinc/48/92/42/670489242.db2.gz SMSKREHTPBPUEJ-DGCLKSJQSA-N 0 1 308.338 0.681 20 5 DCBDMN CC(C)c1nc(Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC000813574424 670635914 /nfs/dbraw/zinc/63/59/14/670635914.db2.gz XRSZUTZFZORMEX-UHFFFAOYSA-N 0 1 308.254 0.955 20 5 DCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CCn2ccnc21 ZINC000849394909 670787868 /nfs/dbraw/zinc/78/78/68/670787868.db2.gz JCBQQGRXZPNCGK-QMMMGPOBSA-N 0 1 309.307 0.610 20 5 DCBDMN CON(C)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000849407166 670792223 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O=[N+]([O-])c1ccc(Cc2noc(C[C@H]3COCCN3)n2)nc1 ZINC000822862100 671350404 /nfs/dbraw/zinc/35/04/04/671350404.db2.gz HQWADWLZKASTHR-JTQLQIEISA-N 0 1 305.294 0.495 20 5 DCBDMN CN(CC(=O)OCc1cc(O)ccc1[N+](=O)[O-])S(C)(=O)=O ZINC000837416699 671861317 /nfs/dbraw/zinc/86/13/17/671861317.db2.gz HMURVHNPGCUKIC-UHFFFAOYSA-N 0 1 318.307 0.235 20 5 DCBDMN C[C@@H](NS(C)(=O)=O)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837599724 671868043 /nfs/dbraw/zinc/86/80/43/671868043.db2.gz ILYNZVPPTOWUSJ-SSDOTTSWSA-N 0 1 318.307 0.281 20 5 DCBDMN COC(=O)c1ccc(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000840673620 671897893 /nfs/dbraw/zinc/89/78/93/671897893.db2.gz VTLOLKIDUYMTRL-GHMZBOCLSA-N 0 1 307.258 0.864 20 5 DCBDMN COC(=O)[C@H]1CNCCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000843479808 672102750 /nfs/dbraw/zinc/10/27/50/672102750.db2.gz UDTBLWHRDNCCMH-GFCCVEGCSA-N 0 1 322.321 0.154 20 5 DCBDMN Cn1nccc1[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000843729669 672117663 /nfs/dbraw/zinc/11/76/63/672117663.db2.gz SDZCOWNYQUIBMK-IEBDPFPHSA-N 0 1 324.337 0.584 20 5 DCBDMN O=C(NC[C@@H]1CCCCN1C(=O)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000844062256 672143749 /nfs/dbraw/zinc/14/37/49/672143749.db2.gz VNDNHWHHKQRPPF-DJLDLDEBSA-N 0 1 323.271 0.711 20 5 DCBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCOC[C@@H]1CCO ZINC000765431227 685336622 /nfs/dbraw/zinc/33/66/22/685336622.db2.gz VUUODVDUJVONCX-JTQLQIEISA-N 0 1 320.305 0.695 20 5 DCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000953926872 685903460 /nfs/dbraw/zinc/90/34/60/685903460.db2.gz FOXIXQAIUKGQNW-DGCLKSJQSA-N 0 1 320.349 0.743 20 5 DCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cccc(F)c2)C1 ZINC000954234754 685975905 /nfs/dbraw/zinc/97/59/05/685975905.db2.gz JCAHKDMWWQUUOG-CHWSQXEVSA-N 0 1 321.308 0.774 20 5 DCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CCn2cccc2)C1 ZINC000954239275 685977319 /nfs/dbraw/zinc/97/73/19/685977319.db2.gz CGGFQWUIDRVEBN-CHWSQXEVSA-N 0 1 320.349 0.213 20 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DCBDMN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCNC[C@H]1CO ZINC001580541209 1165633125 /nfs/dbraw/zinc/63/31/25/1165633125.db2.gz NMXSKCDRHDMWRJ-NSHDSACASA-N 0 1 309.322 0.156 20 5 DCBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1c[nH]nc1-c1nn[nH]n1 ZINC001581551030 1165840787 /nfs/dbraw/zinc/84/07/87/1165840787.db2.gz GZNZJEPWOVRJOK-UHFFFAOYSA-N 0 1 315.253 0.454 20 5 DCBDMN CN(CCN(C)C(=O)C1(F)CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001582947223 1166141187 /nfs/dbraw/zinc/14/11/87/1166141187.db2.gz NCEYTWHBJGDGOH-GHMZBOCLSA-N 0 1 315.345 0.851 20 5 DCBDMN Cc1cc(C(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])co1 ZINC001583249543 1166233542 /nfs/dbraw/zinc/23/35/42/1166233542.db2.gz XZCGIALRHWUMGF-JGLYPNHGSA-N 0 1 307.306 0.655 20 5 DCBDMN O=C(NC1(CNC(=O)C2CCCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001584856379 1166376228 /nfs/dbraw/zinc/37/62/28/1166376228.db2.gz AUDBFKMFZXPZFV-VXGBXAGGSA-N 0 1 309.366 0.997 20 5 DCBDMN CCCn1c(C)nnc1Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001590662680 1166963178 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DCBDMN O=C(NCCN(C(=O)C1CC=CC1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001704399186 1179998836 /nfs/dbraw/zinc/99/88/36/1179998836.db2.gz AREPMQGYWVJMPZ-CHWSQXEVSA-N 0 1 307.350 0.725 20 5 DCBDMN O=C(NCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1)c1cnco1 ZINC001704407434 1180001643 /nfs/dbraw/zinc/00/16/43/1180001643.db2.gz NPCGEEPHFDAVMW-NXEZZACHSA-N 0 1 308.294 0.061 20 5 DCBDMN COCC(=O)NCCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001704730353 1180121937 /nfs/dbraw/zinc/12/19/37/1180121937.db2.gz VFECKUFGIQKFFA-VXGBXAGGSA-N 0 1 313.354 0.043 20 5 DCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1nccs1 ZINC001704883425 1180160111 /nfs/dbraw/zinc/16/01/11/1180160111.db2.gz FZRMRWZLLHBEBT-RKDXNWHRSA-N 0 1 312.351 0.339 20 5 DCBDMN O=C(NCC1(NC(=O)C2CC3(CC3)C2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001705260681 1180324978 /nfs/dbraw/zinc/32/49/78/1180324978.db2.gz BHDNIERVMBLVIN-GHMZBOCLSA-N 0 1 307.350 0.607 20 5 DCBDMN CC(C)c1noc(CNCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001714704624 1181492298 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315.370 0.167 20 5 DCBDMN O=C(NCc1n[nH]c(CO)n1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001470350589 1016425773 /nfs/dbraw/zinc/42/57/73/1016425773.db2.gz JQYABMLJNQMKNS-WDEREUQCSA-N 0 1 317.305 0.625 20 5 DCBDMN O=C(NCc1nnc(CO)[nH]1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001470350589 1016425781 /nfs/dbraw/zinc/42/57/81/1016425781.db2.gz JQYABMLJNQMKNS-WDEREUQCSA-N 0 1 317.305 0.625 20 5 DCBDMN Cn1nnnc1CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001472312383 1016781581 /nfs/dbraw/zinc/78/15/81/1016781581.db2.gz FGLYWWIHKDACHI-UHFFFAOYSA-N 0 1 306.282 0.187 20 5 DCBDMN O=C1NCCO[C@H]2CCCN(Cc3cc(O)ccc3[N+](=O)[O-])[C@H]12 ZINC001473742008 1016962924 /nfs/dbraw/zinc/96/29/24/1016962924.db2.gz TVUZEBPMCKTNRD-KBPBESRZSA-N 0 1 321.333 0.780 20 5 DCBDMN COc1c(O)ccc(CN[C@@]2(CCO)CCOC2)c1[N+](=O)[O-] ZINC001474476497 1017016492 /nfs/dbraw/zinc/01/64/92/1017016492.db2.gz DFMPRWFDIYMMBV-AWEZNQCLSA-N 0 1 312.322 0.940 20 5 DCBDMN O=C(NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cn1 ZINC001533463778 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Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C2CCC2)CC1 ZINC000264955494 204301270 /nfs/dbraw/zinc/30/12/70/204301270.db2.gz KZPRGBBVEBODBE-UHFFFAOYSA-N 0 1 307.354 0.796 20 5 DCBDMN C[S@@](=O)CCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000110018241 194303794 /nfs/dbraw/zinc/30/37/94/194303794.db2.gz MVPXQQAEOVJXSG-NRFANRHFSA-N 0 1 310.335 0.970 20 5 DCBDMN COC(=O)[C@@H]1CSCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000331390019 533033178 /nfs/dbraw/zinc/03/31/78/533033178.db2.gz AKTNDAAEZWYPPD-JTQLQIEISA-N 0 1 314.367 0.629 20 5 DCBDMN Cn1c(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000340996858 253332918 /nfs/dbraw/zinc/33/29/18/253332918.db2.gz QCTCJRKYWZDQOM-SNVBAGLBSA-N 0 1 323.353 0.003 20 5 DCBDMN Cn1c(C(=O)NCCCN2CCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000340996858 253332921 /nfs/dbraw/zinc/33/29/21/253332921.db2.gz QCTCJRKYWZDQOM-SNVBAGLBSA-N 0 1 323.353 0.003 20 5 DCBDMN NC(=O)c1ccc(CN2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000027343416 395694952 /nfs/dbraw/zinc/69/49/52/395694952.db2.gz 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ZINC000177393905 396173445 /nfs/dbraw/zinc/17/34/45/396173445.db2.gz UXMIOKLFGMKRDS-CYBMUJFWSA-N 0 1 310.310 0.906 20 5 DCBDMN CC(C)C[C@@H]1COCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075743917 396186055 /nfs/dbraw/zinc/18/60/55/396186055.db2.gz ODAWVJVYDRJNBS-OCCSQVGLSA-N 0 1 312.370 0.899 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N(C)CCOCCO)c1[N+](=O)[O-] ZINC000282199678 396271880 /nfs/dbraw/zinc/27/18/80/396271880.db2.gz QQBWWLSBTKGVQR-UHFFFAOYSA-N 0 1 300.315 0.522 20 5 DCBDMN CN(Cc1nnc[nH]1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000265782295 396342949 /nfs/dbraw/zinc/34/29/49/396342949.db2.gz RDXRUNQXQYVIOH-UHFFFAOYSA-N 0 1 319.277 0.756 20 5 DCBDMN CCc1n[nH]c(C(=O)NC[C@H](C)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000265957575 396350064 /nfs/dbraw/zinc/35/00/64/396350064.db2.gz WGMHIROPCAGBGX-JTQLQIEISA-N 0 1 324.385 0.246 20 5 DCBDMN O=C(CCc1nc[nH]n1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188575199 396383533 /nfs/dbraw/zinc/38/35/33/396383533.db2.gz HZWWMOXZMBENLA-UHFFFAOYSA-N 0 1 317.305 0.935 20 5 DCBDMN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@H](C)CN1 ZINC000595108949 396550235 /nfs/dbraw/zinc/55/02/35/396550235.db2.gz RITIKQYELXQTLZ-RKDXNWHRSA-N 0 1 300.340 0.361 20 5 DCBDMN CC(C)[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CCN1 ZINC000595411342 396605076 /nfs/dbraw/zinc/60/50/76/396605076.db2.gz HHMIPIXASCERPH-JTQLQIEISA-N 0 1 314.367 0.608 20 5 DCBDMN CCn1nccc1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000595414598 396605424 /nfs/dbraw/zinc/60/54/24/396605424.db2.gz FTLVDOXPJDPEOH-UHFFFAOYSA-N 0 1 311.323 0.685 20 5 DCBDMN O=C([O-])[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000582425809 396610100 /nfs/dbraw/zinc/61/01/00/396610100.db2.gz OSGIVTJCQIDROP-YPMHNXCESA-N 0 1 310.306 0.884 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000374549113 396671505 /nfs/dbraw/zinc/67/15/05/396671505.db2.gz NDJYIWMDKPIDTB-WDEREUQCSA-N 0 1 324.337 0.900 20 5 DCBDMN O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588861415 396696130 /nfs/dbraw/zinc/69/61/30/396696130.db2.gz UATHKLRIDZEDOH-VXGBXAGGSA-N 0 1 321.333 0.582 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CCNC(=O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000610923368 396783934 /nfs/dbraw/zinc/78/39/34/396783934.db2.gz VFRLGEAISGEBMN-QMMMGPOBSA-N 0 1 309.326 0.792 20 5 DCBDMN O=c1[nH]ccc(N2CCN(Cc3nnc[nH]3)CC2)c1[N+](=O)[O-] ZINC000596294741 396756631 /nfs/dbraw/zinc/75/66/31/396756631.db2.gz KRRPZRLIBDYOPQ-UHFFFAOYSA-N 0 1 305.298 0.136 20 5 DCBDMN CCOC[C@H]1CN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])CCO1 ZINC000600411920 396827815 /nfs/dbraw/zinc/82/78/15/396827815.db2.gz POPNTZLXGXIWID-SECBINFHSA-N 0 1 312.326 0.758 20 5 DCBDMN NS(=O)(=O)c1ccc(N2CCc3cn[nH]c3C2)c([N+](=O)[O-])c1 ZINC000611007201 396801504 /nfs/dbraw/zinc/80/15/04/396801504.db2.gz WUSPTJMYDLRKAJ-UHFFFAOYSA-N 0 1 323.334 0.528 20 5 DCBDMN C[C@@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000591374443 396911618 /nfs/dbraw/zinc/91/16/18/396911618.db2.gz GQYNOQSHYMUNKE-MNOVXSKESA-N 0 1 320.349 0.420 20 5 DCBDMN O=C(NCCN1CC[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000600701181 396922681 /nfs/dbraw/zinc/92/26/81/396922681.db2.gz DXAGASFLUFURHO-SNVBAGLBSA-N 0 1 312.301 0.922 20 5 DCBDMN COC1(CO)CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000618551207 396991511 /nfs/dbraw/zinc/99/15/11/396991511.db2.gz NUAWFFLGTVTXNT-UHFFFAOYSA-N 0 1 311.338 0.230 20 5 DCBDMN COCC[N@@H+]1CCC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000618374532 396973459 /nfs/dbraw/zinc/97/34/59/396973459.db2.gz AQKXLBZOCZHIBD-LLVKDONJSA-N 0 1 324.337 0.536 20 5 DCBDMN COCC[N@H+]1CCC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000618374532 396973462 /nfs/dbraw/zinc/97/34/62/396973462.db2.gz AQKXLBZOCZHIBD-LLVKDONJSA-N 0 1 324.337 0.536 20 5 DCBDMN Cc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc(C)n1 ZINC000572596178 397075992 /nfs/dbraw/zinc/07/59/92/397075992.db2.gz NVASGUMXVDDBLT-CYBMUJFWSA-N 0 1 306.326 0.349 20 5 DCBDMN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN(C)C ZINC000619472870 397135519 /nfs/dbraw/zinc/13/55/19/397135519.db2.gz KHQRYNYUMKJQOZ-UHFFFAOYSA-N 0 1 303.340 0.443 20 5 DCBDMN CCn1cc(S(=O)(=O)N2CCNCC2(C)C)c([N+](=O)[O-])n1 ZINC000592372957 397163090 /nfs/dbraw/zinc/16/30/90/397163090.db2.gz LKPVJHNLMTUPHN-UHFFFAOYSA-N 0 1 317.371 0.184 20 5 DCBDMN C[C@H](CCCC[NH3+])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000592389707 397168107 /nfs/dbraw/zinc/16/81/07/397168107.db2.gz VDRUZKOPZQDBNE-SECBINFHSA-N 0 1 302.356 0.786 20 5 DCBDMN COc1cccnc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573477349 397173012 /nfs/dbraw/zinc/17/30/12/397173012.db2.gz GCVNPVRDECOBRM-LLVKDONJSA-N 0 1 307.310 0.346 20 5 DCBDMN CN1CCN(C)[C@@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593461186 397370870 /nfs/dbraw/zinc/37/08/70/397370870.db2.gz MGLVFRGYNJYRJM-ZDUSSCGKSA-N 0 1 324.356 0.638 20 5 DCBDMN CO[C@]1(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCOC1 ZINC000602437926 397402038 /nfs/dbraw/zinc/40/20/38/397402038.db2.gz FOLHSFBRZAQIQP-HNNXBMFYSA-N 0 1 322.365 0.917 20 5 DCBDMN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(Cc2nnc[nH]2)CC1 ZINC000593858699 397459244 /nfs/dbraw/zinc/45/92/44/397459244.db2.gz KLUQLEPXGLXNJJ-UHFFFAOYSA-N 0 1 316.321 0.671 20 5 DCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC(N2CCNC2=O)CC1 ZINC000602765909 397479390 /nfs/dbraw/zinc/47/93/90/397479390.db2.gz MEPWYTZIANJLJF-UHFFFAOYSA-N 0 1 322.369 0.589 20 5 DCBDMN CC(=O)NC[C@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000599689298 397505964 /nfs/dbraw/zinc/50/59/64/397505964.db2.gz IRXHUEXNZQQLLH-CYBMUJFWSA-N 0 1 322.365 0.747 20 5 DCBDMN CN1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000603432514 397611343 /nfs/dbraw/zinc/61/13/43/397611343.db2.gz RNIVHPZJAKBXKZ-UHFFFAOYSA-N 0 1 310.358 0.527 20 5 DCBDMN COCCN1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000609269797 397768343 /nfs/dbraw/zinc/76/83/43/397768343.db2.gz WWEJFAUZPMUQEI-LLVKDONJSA-N 0 1 311.342 0.018 20 5 DCBDMN C[S@](=O)CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000116901727 158168793 /nfs/dbraw/zinc/16/87/93/158168793.db2.gz ODHJSOOQBFYKLH-LJQANCHMSA-N 0 1 324.355 0.781 20 5 DCBDMN Cc1c(CNCc2cn(C)c(=O)n(C)c2=O)cccc1[N+](=O)[O-] ZINC000323037020 159012651 /nfs/dbraw/zinc/01/26/51/159012651.db2.gz ATVWSYZRPMTBAR-UHFFFAOYSA-N 0 1 318.333 0.590 20 5 DCBDMN C[C@H]1CS(=O)(=O)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330434906 159172664 /nfs/dbraw/zinc/17/26/64/159172664.db2.gz QGDCWYLXZOFHPY-VIFPVBQESA-N 0 1 300.336 0.919 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCn3nc(C)nc3C2)c1[N+](=O)[O-] ZINC000371083301 159544477 /nfs/dbraw/zinc/54/44/77/159544477.db2.gz AZCFOVXODBQIPZ-UHFFFAOYSA-N 0 1 305.298 0.436 20 5 DCBDMN COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132876216 287007542 /nfs/dbraw/zinc/00/75/42/287007542.db2.gz NCUKPTUTMHJXRU-SNVBAGLBSA-N 0 1 318.289 0.832 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCC(C3OCCO3)CC2)c1[N+](=O)[O-] ZINC000263717293 287129420 /nfs/dbraw/zinc/12/94/20/287129420.db2.gz JKPXHJSLXFDPKX-UHFFFAOYSA-N 0 1 310.310 0.851 20 5 DCBDMN CNC(=O)N[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000342364023 415155057 /nfs/dbraw/zinc/15/50/57/415155057.db2.gz PCBFWHTVNCFTGY-LLVKDONJSA-N 0 1 308.338 0.977 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])n1 ZINC000353250390 415486555 /nfs/dbraw/zinc/48/65/55/415486555.db2.gz MQCRDKKAJQLFOY-VIFPVBQESA-N 0 1 317.371 0.089 20 5 DCBDMN Cc1nc(CN2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)n[nH]1 ZINC000343114332 415459879 /nfs/dbraw/zinc/45/98/79/415459879.db2.gz SYWGQXUHSRNRER-UHFFFAOYSA-N 0 1 319.325 0.307 20 5 DCBDMN CC[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CCN1C[C@@H](C)O ZINC000114709514 415721931 /nfs/dbraw/zinc/72/19/31/415721931.db2.gz FWYBITBQPLIYHG-PWSUYJOCSA-N 0 1 311.386 0.918 20 5 DCBDMN COC(=O)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000336835945 415825013 /nfs/dbraw/zinc/82/50/13/415825013.db2.gz KAPVIEBUSFXALP-UHFFFAOYSA-N 0 1 306.271 0.575 20 5 DCBDMN CCc1nc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000297155556 415955316 /nfs/dbraw/zinc/95/53/16/415955316.db2.gz RQPSTTOHBHRVHE-UHFFFAOYSA-N 0 1 311.323 0.754 20 5 DCBDMN COC(=O)CNC(=O)[C@@H](C)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338363735 416084857 /nfs/dbraw/zinc/08/48/57/416084857.db2.gz WVZIAKRZGWBHKU-LLVKDONJSA-N 0 1 323.349 0.747 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CC[C@](F)(CO)C2)c1[N+](=O)[O-] ZINC000338745266 416134091 /nfs/dbraw/zinc/13/40/91/416134091.db2.gz VNOMEZROOUPMEZ-GFCCVEGCSA-N 0 1 300.290 0.817 20 5 DCBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1nc(=O)[nH][nH]1 ZINC000176759781 416135242 /nfs/dbraw/zinc/13/52/42/416135242.db2.gz VOEQODUJQMRHNL-UHFFFAOYSA-N 0 1 305.294 0.677 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCC(CC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000358198992 416210644 /nfs/dbraw/zinc/21/06/44/416210644.db2.gz VCODTVLAXGPIGJ-UHFFFAOYSA-N 0 1 323.353 0.957 20 5 DCBDMN CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000331048578 416257055 /nfs/dbraw/zinc/25/70/55/416257055.db2.gz HHFAROXGKFBYFW-LBPRGKRZSA-N 0 1 307.306 0.993 20 5 DCBDMN C[C@@H]1C(=O)N(C)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000186830401 416257939 /nfs/dbraw/zinc/25/79/39/416257939.db2.gz QFZCZWIUFCHPQP-MRVPVSSYSA-N 0 1 317.305 0.774 20 5 DCBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1CC(C)(C)O ZINC000331272426 416298220 /nfs/dbraw/zinc/29/82/20/416298220.db2.gz GVRQQCWGXHPAQG-SNVBAGLBSA-N 0 1 310.354 0.840 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](S(C)(=O)=O)C2)c1[N+](=O)[O-] ZINC000359732901 416355983 /nfs/dbraw/zinc/35/59/83/416355983.db2.gz XAZVEYYPDOPCRE-QMMMGPOBSA-N 0 1 316.339 0.276 20 5 DCBDMN Cc1cc(OCC(=O)N2CCc3[nH]nnc3C2)ccc1[N+](=O)[O-] ZINC000435755217 416536168 /nfs/dbraw/zinc/53/61/68/416536168.db2.gz HWZVEMXLLQZYLZ-UHFFFAOYSA-N 0 1 317.305 0.985 20 5 DCBDMN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1CNCCO1 ZINC000592070794 416539696 /nfs/dbraw/zinc/53/96/96/416539696.db2.gz XFCHAEOGLYGCPK-GFCCVEGCSA-N 0 1 317.305 0.912 20 5 DCBDMN CN(CCN1CCCC1=O)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000541880768 416616577 /nfs/dbraw/zinc/61/65/77/416616577.db2.gz VJFJYSOIQHBRIG-UHFFFAOYSA-N 0 1 307.306 0.995 20 5 DCBDMN CS(=O)(=O)CCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000424913940 416672948 /nfs/dbraw/zinc/67/29/48/416672948.db2.gz CEIAVFZLTHADMR-UHFFFAOYSA-N 0 1 316.335 0.855 20 5 DCBDMN CCc1cc(N2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ncn1 ZINC000370044397 416875252 /nfs/dbraw/zinc/87/52/52/416875252.db2.gz CHDKJHJUIDEWQS-CHWSQXEVSA-N 0 1 319.365 0.789 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](N3CCCC3=O)C2)c1[N+](=O)[O-] ZINC000521158810 416992428 /nfs/dbraw/zinc/99/24/28/416992428.db2.gz GYNXSBAUMGKHKF-JTQLQIEISA-N 0 1 321.337 0.853 20 5 DCBDMN CC1=CC[N@@H+](CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000568412283 417135387 /nfs/dbraw/zinc/13/53/87/417135387.db2.gz QQCKYXZXXYVBMI-UHFFFAOYSA-N 0 1 305.338 0.954 20 5 DCBDMN CC1=CCN(CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000568412283 417135393 /nfs/dbraw/zinc/13/53/93/417135393.db2.gz QQCKYXZXXYVBMI-UHFFFAOYSA-N 0 1 305.338 0.954 20 5 DCBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC1(CCO)CC1 ZINC000431600831 417137228 /nfs/dbraw/zinc/13/72/28/417137228.db2.gz 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O=C(CCc1ccccc1)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001736928365 1187183617 /nfs/dbraw/zinc/18/36/17/1187183617.db2.gz LEOQKZSPBPNASO-ZIAGYGMSSA-N 0 1 319.361 0.907 20 5 DCBDMN CN(CCNC(=O)COc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737775068 1187404282 /nfs/dbraw/zinc/40/42/82/1187404282.db2.gz SOOAJOSBKWEVDR-CHWSQXEVSA-N 0 1 321.333 0.305 20 5 DCBDMN Cc1nc(C(=O)N(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)c[nH]1 ZINC001737881552 1187422161 /nfs/dbraw/zinc/42/21/61/1187422161.db2.gz YHLRNESQMUETRC-ZYHUDNBSSA-N 0 1 321.337 0.104 20 5 DCBDMN O=C(CCc1ccco1)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001738038911 1187454647 /nfs/dbraw/zinc/45/46/47/1187454647.db2.gz UHJQENNJKJHSLR-CHWSQXEVSA-N 0 1 321.333 0.452 20 5 DCBDMN Cc1nc(C(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001738505563 1187576836 /nfs/dbraw/zinc/57/68/36/1187576836.db2.gz UKOSCSULALTVFW-ONKIFHLLSA-N 0 1 324.362 0.519 20 5 DCBDMN CCc1cnc(CN(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001753853312 1188665239 /nfs/dbraw/zinc/66/52/39/1188665239.db2.gz SXFGCCSLZDRJDD-VXGBXAGGSA-N 0 1 310.354 0.792 20 5 DCBDMN CN(C)c1cccc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001757986434 1189662029 /nfs/dbraw/zinc/66/20/29/1189662029.db2.gz SFMSXKPQGDQEKU-CHWSQXEVSA-N 0 1 320.349 0.264 20 5 DCBDMN CCc1cc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])oc1CC ZINC001757986198 1189662537 /nfs/dbraw/zinc/66/25/37/1189662537.db2.gz MLBNTBMTTCXCJK-GHMZBOCLSA-N 0 1 323.349 0.916 20 5 DCBDMN CCn1ncc(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC001758929280 1190040378 /nfs/dbraw/zinc/04/03/78/1190040378.db2.gz NRCGJHDAPPILHQ-ZYHUDNBSSA-N 0 1 323.353 0.065 20 5 DCBDMN CC(C)=C(C)CC(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001759259397 1190144767 /nfs/dbraw/zinc/14/47/67/1190144767.db2.gz BWFHVOKMCSJNDP-CHWSQXEVSA-N 0 1 309.366 0.973 20 5 DCBDMN O=C(NCC1(NC(=O)C2CCC2)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001759360017 1190171104 /nfs/dbraw/zinc/17/11/04/1190171104.db2.gz RANPFOLKGJJJBT-VXGBXAGGSA-N 0 1 309.366 0.997 20 5 DCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cscn1 ZINC001759544179 1190206515 /nfs/dbraw/zinc/20/65/15/1190206515.db2.gz AZMJNUWZSLOSBB-PSASIEDQSA-N 0 1 312.351 0.339 20 5 DCBDMN Cn1cccc1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001759876660 1190326087 /nfs/dbraw/zinc/32/60/87/1190326087.db2.gz IKXZEGKFMNOCDG-MWLCHTKSSA-N 0 1 306.322 0.069 20 5 DCBDMN COC(=O)c1cnc(N2C[C@H]3OCCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000357711395 719384277 /nfs/dbraw/zinc/38/42/77/719384277.db2.gz UHNQIHOAVRIXAR-VXGBXAGGSA-N 0 1 322.321 0.296 20 5 DCBDMN CCNC(=O)CC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001126002023 748181886 /nfs/dbraw/zinc/18/18/86/748181886.db2.gz BFCODTNIQQUBQN-UHFFFAOYSA-N 0 1 308.338 0.327 20 5 DCBDMN O=C(N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1)c1ncn[nH]1 ZINC001059276560 748916042 /nfs/dbraw/zinc/91/60/42/748916042.db2.gz GKHHLEPKYSMKCD-ZKCHVHJHSA-N 0 1 303.282 0.481 20 5 DCBDMN O=C(N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1)c1nc[nH]n1 ZINC001059276560 748916048 /nfs/dbraw/zinc/91/60/48/748916048.db2.gz GKHHLEPKYSMKCD-ZKCHVHJHSA-N 0 1 303.282 0.481 20 5 DCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1ccns1 ZINC001063267959 755140182 /nfs/dbraw/zinc/14/01/82/755140182.db2.gz DQYOBLGQRKIKBP-RKDXNWHRSA-N 0 1 324.362 0.577 20 5 DCBDMN O=C(CN1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)N1CCCC1 ZINC001169029664 760550318 /nfs/dbraw/zinc/55/03/18/760550318.db2.gz UYVVZXOABZZCGP-HUUCEWRRSA-N 0 1 324.425 0.672 20 5 DCBDMN Cn1cc(C(=O)NCCNCc2ccccc2[N+](=O)[O-])cn1 ZINC001123353451 767967659 /nfs/dbraw/zinc/96/76/59/767967659.db2.gz JFWWRKKSDSLBQD-UHFFFAOYSA-N 0 1 303.322 0.848 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCc3c(=O)[nH]n(C)c3C2)c1[N+](=O)[O-] ZINC001169395026 760669086 /nfs/dbraw/zinc/66/90/86/760669086.db2.gz XIFCWFZTWYWQKP-UHFFFAOYSA-N 0 1 306.282 0.264 20 5 DCBDMN CCC1(NC(=O)C(F)F)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069368079 760749171 /nfs/dbraw/zinc/74/91/71/760749171.db2.gz KMCKLTPVRXACOA-RKDXNWHRSA-N 0 1 319.308 0.804 20 5 DCBDMN Cc1nn[nH]c1C(=O)N(C)CCCNc1ncccc1[N+](=O)[O-] ZINC001109574954 761464001 /nfs/dbraw/zinc/46/40/01/761464001.db2.gz YPUDWTAIQFORFY-UHFFFAOYSA-N 0 1 319.325 0.991 20 5 DCBDMN CC(=O)N(C)CC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001123811373 768061083 /nfs/dbraw/zinc/06/10/83/768061083.db2.gz ZGEXPPSUYBWHGI-UHFFFAOYSA-N 0 1 308.338 0.279 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](C(=O)N(C)C)C2)c1[N+](=O)[O-] ZINC001124007589 768095313 /nfs/dbraw/zinc/09/53/13/768095313.db2.gz JJQPHNZLXOBUMP-SECBINFHSA-N 0 1 323.353 0.821 20 5 DCBDMN CN1CCN(C(=N)Nc2c([N+](=O)[O-])cc[n+]([O-])c2Cl)CC1 ZINC001157914654 763130534 /nfs/dbraw/zinc/13/05/34/763130534.db2.gz DKOBOGAWOWOFTD-UHFFFAOYSA-N 0 1 314.733 0.476 20 5 DCBDMN Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)CN2CCCC2)n1 ZINC001100115205 763325931 /nfs/dbraw/zinc/32/59/31/763325931.db2.gz CSEZSMSFXRUBCE-UHFFFAOYSA-N 0 1 321.381 0.946 20 5 DCBDMN O=C(NCCNCc1ccccc1[N+](=O)[O-])c1c[nH]c(=O)cn1 ZINC001133016030 764788151 /nfs/dbraw/zinc/78/81/51/764788151.db2.gz LUGNQIYZBDAJGJ-UHFFFAOYSA-N 0 1 317.305 0.198 20 5 DCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1(C)CC(F)(F)C1 ZINC001580759673 1165711745 /nfs/dbraw/zinc/71/17/45/1165711745.db2.gz FZJHUPDIPBAGEE-RKDXNWHRSA-N 0 1 319.308 0.662 20 5 DCBDMN O=C(CCc1cnc[nH]1)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001094223672 768890626 /nfs/dbraw/zinc/89/06/26/768890626.db2.gz VJIMSQWZESTBEZ-UHFFFAOYSA-N 0 1 304.310 0.874 20 5 DCBDMN O=c1cc(Cl)c(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)n[nH]1 ZINC001233588483 769403327 /nfs/dbraw/zinc/40/33/27/769403327.db2.gz DMVFZVFYILYFOS-YFKPBYRVSA-N 0 1 313.657 0.780 20 5 DCBDMN O=C(NC[C@H](O)c1cnc[nH]1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001155083705 770391605 /nfs/dbraw/zinc/39/16/05/770391605.db2.gz NQRKSJDVGCOSSR-JTQLQIEISA-N 0 1 320.261 0.510 20 5 DCBDMN C[N@@H+](CCO)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001155250676 770449241 /nfs/dbraw/zinc/44/92/41/770449241.db2.gz AFBPDMAWCYHLEM-UHFFFAOYSA-N 0 1 317.729 0.608 20 5 DCBDMN O=C(Cc1nnc[nH]1)NCC1(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001110224231 770869757 /nfs/dbraw/zinc/86/97/57/770869757.db2.gz MSZLAJPEDLGBIV-UHFFFAOYSA-N 0 1 317.309 0.411 20 5 DCBDMN Cc1nc([C@@H](C)NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC001157045948 771523812 /nfs/dbraw/zinc/52/38/12/771523812.db2.gz YJEQIFFBNOQCAK-SSDOTTSWSA-N 0 1 306.282 0.060 20 5 DCBDMN CCOC(=O)c1c(CN)ncn1-c1ncc([N+](=O)[O-])cc1NC ZINC001162533313 772387685 /nfs/dbraw/zinc/38/76/85/772387685.db2.gz QAMUTSRYSXQHIO-UHFFFAOYSA-N 0 1 320.309 0.853 20 5 DCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2[nH]cnc2[C@H]1c1cccnc1 ZINC001163263288 772496382 /nfs/dbraw/zinc/49/63/82/772496382.db2.gz FJNNZBGKYQOHPL-MPKXVKKWSA-N 0 1 313.317 0.944 20 5 DCBDMN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2nc[nH]c2[C@H]1c1cccnc1 ZINC001163263288 772496385 /nfs/dbraw/zinc/49/63/85/772496385.db2.gz FJNNZBGKYQOHPL-MPKXVKKWSA-N 0 1 313.317 0.944 20 5 DCBDMN Cc1nc(NC[C@@]2(CO)COC[C@@H]3CCCN32)ncc1[N+](=O)[O-] ZINC001164380498 772652941 /nfs/dbraw/zinc/65/29/41/772652941.db2.gz WPWCZUJIAQLPBV-SMDDNHRTSA-N 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323.305 0.363 20 5 DCBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@](O)(C(=O)[O-])C1 ZINC001600305466 1168163763 /nfs/dbraw/zinc/16/37/63/1168163763.db2.gz ZXYAHHAHUIERAZ-CQSZACIVSA-N 0 1 323.305 0.363 20 5 DCBDMN O=C([O-])[C@@H]1[C@@H](O)CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001601754942 1168852035 /nfs/dbraw/zinc/85/20/35/1168852035.db2.gz PDOKAWTXQHZNCC-STQMWFEESA-N 0 1 310.306 0.884 20 5 DCBDMN O=C([O-])[C@@H]1[C@@H](O)CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001601754942 1168852045 /nfs/dbraw/zinc/85/20/45/1168852045.db2.gz PDOKAWTXQHZNCC-STQMWFEESA-N 0 1 310.306 0.884 20 5 DCBDMN C[C@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC001604363995 1169568647 /nfs/dbraw/zinc/56/86/47/1169568647.db2.gz JTRPVJMMNZUUFR-ONGXEEELSA-N 0 1 323.353 0.734 20 5 DCBDMN O=[N+]([O-])c1ccc(NCCCc2nc[nH]n2)c(-c2nn[nH]n2)c1 ZINC001607082003 1170383725 /nfs/dbraw/zinc/38/37/25/1170383725.db2.gz JGXZSZMSCSYAGU-UHFFFAOYSA-N 0 1 315.297 0.938 20 5 DCBDMN O=c1c(-c2nn[nH]n2)cn(CCCO)c2ccc([N+](=O)[O-])cc12 ZINC001607091669 1170388893 /nfs/dbraw/zinc/38/88/93/1170388893.db2.gz KHIULENUMHCYLU-UHFFFAOYSA-N 0 1 316.277 0.472 20 5 DCBDMN O=C([O-])c1cc(C(=O)NCC[NH+]2CC=CC2)cc([N+](=O)[O-])c1 ZINC001608837645 1170763904 /nfs/dbraw/zinc/76/39/04/1170763904.db2.gz ZQYXKPCNIBNMFU-UHFFFAOYSA-N 0 1 305.290 0.895 20 5 DCBDMN COC(=O)Cn1ncc2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc21 ZINC001615414828 1171375094 /nfs/dbraw/zinc/37/50/94/1171375094.db2.gz LHHOZIHVCWOKBZ-ZYHUDNBSSA-N 0 1 318.289 0.813 20 5 DCBDMN CN1C[C@H](CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)OC1=O ZINC001620495279 1171404263 /nfs/dbraw/zinc/40/42/63/1171404263.db2.gz KQIWXMJQNGRTOI-GXTWGEPZSA-N 0 1 309.322 0.843 20 5 DCBDMN Nc1ncnc2sc3c(c21)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C3 ZINC001633729505 1171652179 /nfs/dbraw/zinc/65/21/79/1171652179.db2.gz VAZYDSARIHHIQD-HTQZYQBOSA-N 0 1 319.346 0.823 20 5 DCBDMN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@@H](c2nn[nH]n2)C1 ZINC001644298990 1172002024 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O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1)C(F)F ZINC001678476413 1175654933 /nfs/dbraw/zinc/65/49/33/1175654933.db2.gz KYJOLYGNRQISFV-RKDXNWHRSA-N 0 1 319.308 0.852 20 5 DCBDMN CCn1cccc1C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001687003659 1176264320 /nfs/dbraw/zinc/26/43/20/1176264320.db2.gz KDSSWQDBTRGPIL-ZYHUDNBSSA-N 0 1 308.338 0.409 20 5 DCBDMN Cc1nc(N(C)CCNC(=O)Cc2nnc[nH]2)ccc1[N+](=O)[O-] ZINC001689822394 1177080585 /nfs/dbraw/zinc/08/05/85/1177080585.db2.gz QAJGWLBVYYYSJD-UHFFFAOYSA-N 0 1 319.325 0.211 20 5 DCBDMN O=C(NC/C=C/CNCc1nc(C2CC2)no1)[C@@H]1CC1[N+](=O)[O-] ZINC001699255935 1177994021 /nfs/dbraw/zinc/99/40/21/1177994021.db2.gz VOCUVNUXRPWFDX-COUIAZAYSA-N 0 1 321.337 0.374 20 5 DCBDMN CCn1ncc(C(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC001704243113 1179944423 /nfs/dbraw/zinc/94/44/23/1179944423.db2.gz PNLAPCIAYBSVEQ-ZYHUDNBSSA-N 0 1 323.353 0.065 20 5 DCBDMN CCOCCCC(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001704561310 1180062657 /nfs/dbraw/zinc/06/26/57/1180062657.db2.gz HFOLNSYONSUNPB-VXGBXAGGSA-N 0 1 313.354 0.043 20 5 DCBDMN Cc1[nH]nc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1C ZINC001705255562 1180321803 /nfs/dbraw/zinc/32/18/03/1180321803.db2.gz HGKBBFJZENEEEP-NXEZZACHSA-N 0 1 321.337 0.070 20 5 DCBDMN CCOCC(=O)N[C@H]1C[C@H](NCc2c([N+](=O)[O-])ncn2C)C1 ZINC001713153231 1180698933 /nfs/dbraw/zinc/69/89/33/1180698933.db2.gz XBOGQCDBBFDLLW-MGCOHNPYSA-N 0 1 311.342 0.102 20 5 DCBDMN CC(C)Cn1ncnc1CN(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001714534755 1181404890 /nfs/dbraw/zinc/40/48/90/1181404890.db2.gz LAQOBCZVXJREMD-VXGBXAGGSA-N 0 1 324.385 0.147 20 5 DCBDMN Cc1ncc(C(=O)NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001720238482 1183522365 /nfs/dbraw/zinc/52/23/65/1183522365.db2.gz KRSXLPJEDAHAPB-RKDXNWHRSA-N 0 1 312.351 0.353 20 5 DCBDMN Cc1cnc(C(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC001721112549 1183834461 /nfs/dbraw/zinc/83/44/61/1183834461.db2.gz QHYUKGXGPKUGQF-VXGBXAGGSA-N 0 1 320.349 0.552 20 5 DCBDMN CCc1ncoc1C(=O)N(CC)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001721143309 1183846596 /nfs/dbraw/zinc/84/65/96/1183846596.db2.gz DMXADRFDVBKFAS-MWLCHTKSSA-N 0 1 324.337 0.481 20 5 DCBDMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1c[nH]nc1C ZINC001721209231 1183866048 /nfs/dbraw/zinc/86/60/48/1183866048.db2.gz MQLDHGMUASJEIF-ZYHUDNBSSA-N 0 1 323.353 0.352 20 5 DCBDMN Cc1ccc(C(=O)N(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)o1 ZINC001721231157 1183871196 /nfs/dbraw/zinc/87/11/96/1183871196.db2.gz YHRYIRCEFZHNJH-VXGBXAGGSA-N 0 1 321.333 0.974 20 5 DCBDMN CC(C)OCCC(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001722125753 1184176809 /nfs/dbraw/zinc/17/68/09/1184176809.db2.gz JCXNURNFDGZIBS-VXGBXAGGSA-N 0 1 313.354 0.136 20 5 DCBDMN O=C(NCC1(O)CN(Cc2cccc(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001724454512 1184448112 /nfs/dbraw/zinc/44/81/12/1184448112.db2.gz VCEDYFOSEYMZIG-CHWSQXEVSA-N 0 1 323.324 0.154 20 5 DCBDMN CC(C)N(CCN(C)Cc1nncn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001725728180 1184977636 /nfs/dbraw/zinc/97/76/36/1184977636.db2.gz LDVVEMOGOPTLOO-VXGBXAGGSA-N 0 1 324.385 0.149 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001737798534 1187408791 /nfs/dbraw/zinc/40/87/91/1187408791.db2.gz WVCXHPGTFPEMDO-KSSYENDESA-N 0 1 309.366 0.662 20 5 DCBDMN CC(C)N(CCCNC(=O)c1ncc[nH]1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737913573 1187426001 /nfs/dbraw/zinc/42/60/01/1187426001.db2.gz WAIFJDQAIUZZHC-GHMZBOCLSA-N 0 1 323.353 0.432 20 5 DCBDMN CC1(CNC(=O)C(F)F)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001748194645 1188330662 /nfs/dbraw/zinc/33/06/62/1188330662.db2.gz VTAZKEKNGJDGNQ-RKDXNWHRSA-N 0 1 319.308 0.662 20 5 DCBDMN O=C(C1CC1)N(CCO)CCNCc1ccccc1[N+](=O)[O-] ZINC001754875136 1188957456 /nfs/dbraw/zinc/95/74/56/1188957456.db2.gz CQCZDMSLPUVXBF-UHFFFAOYSA-N 0 1 307.350 0.915 20 5 DCBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc2c1OCC2 ZINC001757986651 1189663087 /nfs/dbraw/zinc/66/30/87/1189663087.db2.gz YWWMTRORLSFFOO-VXGBXAGGSA-N 0 1 319.317 0.133 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1CC(F)(F)C1 ZINC001759001264 1190063201 /nfs/dbraw/zinc/06/32/01/1190063201.db2.gz GVCMIMQBWDFHJZ-NXEZZACHSA-N 0 1 319.308 0.662 20 5 DCBDMN O=C(Cc1ccco1)NCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001759093786 1190087480 /nfs/dbraw/zinc/08/74/80/1190087480.db2.gz JVCQSYQDFPMGEY-CHWSQXEVSA-N 0 1 321.333 0.595 20 5 DCBDMN CC(C)=C(C)CC(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001759242600 1190139051 /nfs/dbraw/zinc/13/90/51/1190139051.db2.gz HRQMSIAROPTGIH-CHWSQXEVSA-N 0 1 309.366 0.973 20 5 DCBDMN COC(=O)c1ccnc(N2C[C@@H]3[C@H](C2)OCCN3C)c1[N+](=O)[O-] ZINC000598629627 719399033 /nfs/dbraw/zinc/39/90/33/719399033.db2.gz OGQSEZOTLRCXEX-MNOVXSKESA-N 0 1 322.321 0.296 20 5 DCBDMN CCOc1nc(N2C[C@H]3OCCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164669218 719417066 /nfs/dbraw/zinc/41/70/66/719417066.db2.gz LITIGRWHLGCZLQ-NWDGAFQWSA-N 0 1 308.338 0.908 20 5 DCBDMN Nc1c(Cl)cc(C(=O)NOCc2c[nH]nn2)cc1[N+](=O)[O-] ZINC001577742357 1164780588 /nfs/dbraw/zinc/78/05/88/1164780588.db2.gz BHBOOXCNGCQTKL-UHFFFAOYSA-N 0 1 312.673 0.810 20 5 DCBDMN O=C(Cc1nnc[nH]1)NC/C=C\CNc1ccc([N+](=O)[O-])cn1 ZINC001107332743 752004746 /nfs/dbraw/zinc/00/47/46/752004746.db2.gz AIZILWOOIWFUHZ-UPHRSURJSA-N 0 1 317.309 0.435 20 5 DCBDMN CC[C@H](C[C@H](C)O)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001213471832 748479626 /nfs/dbraw/zinc/47/96/26/748479626.db2.gz WNJDCFJALFZUOT-DTWKUNHWSA-N 0 1 303.340 0.818 20 5 DCBDMN CN(CCN(C)c1ccccc1[N+](=O)[O-])C(=O)Cc1ncn[nH]1 ZINC001105470127 749724024 /nfs/dbraw/zinc/72/40/24/749724024.db2.gz JWXVOMJPUXSMQL-UHFFFAOYSA-N 0 1 318.337 0.850 20 5 DCBDMN Cn1ccc(CN2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001045436074 753194253 /nfs/dbraw/zinc/19/42/53/753194253.db2.gz GNBFTHLZGRMUAT-CHWSQXEVSA-N 0 1 321.381 0.556 20 5 DCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1ccns1 ZINC001062992806 755072636 /nfs/dbraw/zinc/07/26/36/755072636.db2.gz AUTQTGOIXJFEHU-RKDXNWHRSA-N 0 1 324.362 0.577 20 5 DCBDMN O=C(NCC1(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001062990326 755072676 /nfs/dbraw/zinc/07/26/76/755072676.db2.gz HBTURCWJIRTTJW-KSSYENDESA-N 0 1 321.377 0.853 20 5 DCBDMN CCN(C(=O)Cc1ccc[nH]1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079867035 756026813 /nfs/dbraw/zinc/02/68/13/756026813.db2.gz JEABHUISIKRFOC-CHWSQXEVSA-N 0 1 320.349 0.282 20 5 DCBDMN Cc1ncc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)[nH]1 ZINC001055745786 756900910 /nfs/dbraw/zinc/90/09/10/756900910.db2.gz DFSJTPVWFNMYLY-UHFFFAOYSA-N 0 1 316.321 0.984 20 5 DCBDMN CCOC(=O)c1c(CN)ncn1-c1ncc(OC)cc1[N+](=O)[O-] ZINC001155077387 759473723 /nfs/dbraw/zinc/47/37/23/759473723.db2.gz BUHCMOBGJQRVGK-UHFFFAOYSA-N 0 1 321.293 0.820 20 5 DCBDMN O=C(OC[C@]1(c2ccccc2)CNC(=O)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001122962147 767902822 /nfs/dbraw/zinc/90/28/22/767902822.db2.gz MDAOBPLJSOGEBH-LALPHHSUSA-N 0 1 304.302 0.653 20 5 DCBDMN O=C(CN1CCCC1=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001123342031 767966885 /nfs/dbraw/zinc/96/68/85/767966885.db2.gz YVQIOFQKUAMMNT-UHFFFAOYSA-N 0 1 320.349 0.423 20 5 DCBDMN CC(C)N1CCn2ncc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])c2C1 ZINC001069860798 760909106 /nfs/dbraw/zinc/90/91/06/760909106.db2.gz IUJGUXLCKCCTOT-VXGBXAGGSA-N 0 1 307.354 0.389 20 5 DCBDMN COC(=O)Cc1ccc(NC[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC001170044854 761676320 /nfs/dbraw/zinc/67/63/20/761676320.db2.gz NJKNENDXCXDVPA-LBPRGKRZSA-N 0 1 309.322 0.711 20 5 DCBDMN Cc1nc(N(C)CCNC(=O)Cc2cnc[nH]2)ccc1[N+](=O)[O-] ZINC001100354355 763514981 /nfs/dbraw/zinc/51/49/81/763514981.db2.gz YDFFDFXZHMSETR-UHFFFAOYSA-N 0 1 318.337 0.816 20 5 DCBDMN Cn1c(C(=O)NCCNCc2ccccc2[N+](=O)[O-])c[nH]c1=O ZINC001132367333 764406902 /nfs/dbraw/zinc/40/69/02/764406902.db2.gz SEGIVLXRHMURQZ-UHFFFAOYSA-N 0 1 319.321 0.554 20 5 DCBDMN Cc1nn[nH]c1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001116922523 765928314 /nfs/dbraw/zinc/92/83/14/765928314.db2.gz YZZSECWAXQHUNQ-UHFFFAOYSA-N 0 1 305.298 0.695 20 5 DCBDMN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001136492172 766310870 /nfs/dbraw/zinc/31/08/70/766310870.db2.gz SPVSKSZFCZCVPX-WCQYABFASA-N 0 1 320.349 0.891 20 5 DCBDMN COCc1nc(CNC(=O)c2cccc(OC)c2[N+](=O)[O-])n[nH]1 ZINC001118784521 766435460 /nfs/dbraw/zinc/43/54/60/766435460.db2.gz MXQRXNDFJVSQAT-UHFFFAOYSA-N 0 1 321.293 0.798 20 5 DCBDMN COCc1nnc(CNC(=O)c2cccc(OC)c2[N+](=O)[O-])[nH]1 ZINC001118784521 766435464 /nfs/dbraw/zinc/43/54/64/766435464.db2.gz MXQRXNDFJVSQAT-UHFFFAOYSA-N 0 1 321.293 0.798 20 5 DCBDMN COC[C@@](C)(CC(=O)OC)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001137046343 766681167 /nfs/dbraw/zinc/68/11/67/766681167.db2.gz OZZYBCUMXRFQSC-LLVKDONJSA-N 0 1 300.271 0.016 20 5 DCBDMN O=C(c1cnncc1O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001139905317 768498541 /nfs/dbraw/zinc/49/85/41/768498541.db2.gz XKQZKMADHVOZCE-UHFFFAOYSA-N 0 1 318.293 0.764 20 5 DCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC001141991390 768606114 /nfs/dbraw/zinc/60/61/14/768606114.db2.gz XDTBBQBVDDXRFR-UHFFFAOYSA-N 0 1 321.341 0.832 20 5 DCBDMN NCc1nccnc1[N-]c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001171448938 769117368 /nfs/dbraw/zinc/11/73/68/769117368.db2.gz AFRJBRRCKSYNNR-UHFFFAOYSA-N 0 1 302.298 0.064 20 5 DCBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC1CN(S(C)(=O)=O)C1 ZINC001173214675 769569107 /nfs/dbraw/zinc/56/91/07/769569107.db2.gz DNXYNRADPCLMQT-SNVBAGLBSA-N 0 1 313.379 0.759 20 5 DCBDMN COc1nc(NCc2nnc3n2CCCNC3)ccc1[N+](=O)[O-] ZINC001155425518 770498593 /nfs/dbraw/zinc/49/85/93/770498593.db2.gz ZSVDJLAKBLTOQX-UHFFFAOYSA-N 0 1 319.325 0.695 20 5 DCBDMN Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCc1nnc2n1CCCNC2 ZINC001155430265 770500217 /nfs/dbraw/zinc/50/02/17/770500217.db2.gz KNUFDPWMCKGVQP-UHFFFAOYSA-N 0 1 319.325 0.234 20 5 DCBDMN Cc1ncc(CN)c(=N)n1-c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001156825415 770936584 /nfs/dbraw/zinc/93/65/84/770936584.db2.gz OHXYPPIUDDLTLC-UHFFFAOYSA-N 0 1 311.305 0.970 20 5 DCBDMN Cc1ccc(-c2ccc(-n3nnnc3CN)nn2)cc1[N+](=O)[O-] ZINC001158077101 771722799 /nfs/dbraw/zinc/72/27/99/771722799.db2.gz NZOZEWXVMBZJMT-UHFFFAOYSA-N 0 1 312.293 0.795 20 5 DCBDMN Nc1nc(N2CC(CNC(=O)C(F)(F)F)C2)ncc1[N+](=O)[O-] ZINC001187415613 772182296 /nfs/dbraw/zinc/18/22/96/772182296.db2.gz XUGADTHMUXHCDR-UHFFFAOYSA-N 0 1 320.231 0.082 20 5 DCBDMN CCOC(=O)c1c(CN)ncn1-c1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001162538117 772388520 /nfs/dbraw/zinc/38/85/20/772388520.db2.gz ZOPKTYUYNUSLJI-UHFFFAOYSA-N 0 1 321.293 0.115 20 5 DCBDMN COCCN1CCC[C@@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001162618416 772398958 /nfs/dbraw/zinc/39/89/58/772398958.db2.gz AXGCRBTTYUATKW-LLVKDONJSA-N 0 1 323.353 0.413 20 5 DCBDMN NC(=O)c1nc(NCc2noc3c2CNCC3)ccc1[N+](=O)[O-] ZINC001163125012 772468278 /nfs/dbraw/zinc/46/82/78/772468278.db2.gz YPSTXDQXPYVPDL-UHFFFAOYSA-N 0 1 318.293 0.335 20 5 DCBDMN COCc1nn(-c2ncc([N+](=O)[O-])c(OC)n2)c2c1CNC2 ZINC001165634037 772752127 /nfs/dbraw/zinc/75/21/27/772752127.db2.gz KXHDCWLETCXMML-UHFFFAOYSA-N 0 1 306.282 0.329 20 5 DCBDMN CNC(=O)NC(=O)CCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196908467 773666299 /nfs/dbraw/zinc/66/62/99/773666299.db2.gz QQKOJCCLVHXPJU-CQSZACIVSA-N 0 1 324.337 0.238 20 5 DCBDMN CN(CCCN(C)C(=O)C(C)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001066618658 774836174 /nfs/dbraw/zinc/83/61/74/774836174.db2.gz MTOWCRKHRXLWDV-RKDXNWHRSA-N 0 1 307.297 0.614 20 5 DCBDMN CN(CCCNC(=O)c1ncn[nH]1)c1ccccc1[N+](=O)[O-] ZINC001095608940 775258754 /nfs/dbraw/zinc/25/87/54/775258754.db2.gz ZWOPGMDKHVSZIP-UHFFFAOYSA-N 0 1 304.310 0.969 20 5 DCBDMN CN(CCCNC(=O)c1nc[nH]n1)c1ccccc1[N+](=O)[O-] ZINC001095608940 775258762 /nfs/dbraw/zinc/25/87/62/775258762.db2.gz ZWOPGMDKHVSZIP-UHFFFAOYSA-N 0 1 304.310 0.969 20 5 DCBDMN O=c1[nH]cnc(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)c1Cl ZINC001230019109 776244004 /nfs/dbraw/zinc/24/40/04/776244004.db2.gz XUNVDYPOQGBQOE-YFKPBYRVSA-N 0 1 313.657 0.780 20 5 DCBDMN Cc1nn(C)c(C(=O)N[C@@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC001318302807 945316708 /nfs/dbraw/zinc/31/67/08/945316708.db2.gz MGEFMQKACJWOSR-JTQLQIEISA-N 0 1 324.385 0.002 20 5 DCBDMN CCN(CCNCc1ccccc1[N+](=O)[O-])C(=O)CC(N)=O ZINC001320703224 945986781 /nfs/dbraw/zinc/98/67/81/945986781.db2.gz RVBABPBETGBWMH-UHFFFAOYSA-N 0 1 308.338 0.408 20 5 DCBDMN COC[C@@]1(C(=O)[O-])CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001261521149 947331824 /nfs/dbraw/zinc/33/18/24/947331824.db2.gz PITSECZOUFDXQN-CYBMUJFWSA-N 0 1 312.326 0.605 20 5 DCBDMN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H](c2nc[nH]n2)C1 ZINC001261860817 947462897 /nfs/dbraw/zinc/46/28/97/947462897.db2.gz HYCTXZBUWDQSEJ-VIFPVBQESA-N 0 1 305.298 0.316 20 5 DCBDMN CC(=O)c1ccc(OCC(=O)N2CCNCC2)c([N+](=O)[O-])c1 ZINC001326331330 948131724 /nfs/dbraw/zinc/13/17/24/948131724.db2.gz VLVLUQPKLGUPGP-UHFFFAOYSA-N 0 1 307.306 0.608 20 5 DCBDMN C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001326420567 948157212 /nfs/dbraw/zinc/15/72/12/948157212.db2.gz BMXMCSSDEPTPHQ-VHSXEESVSA-N 0 1 324.337 0.579 20 5 DCBDMN C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001326420567 948157217 /nfs/dbraw/zinc/15/72/17/948157217.db2.gz BMXMCSSDEPTPHQ-VHSXEESVSA-N 0 1 324.337 0.579 20 5 DCBDMN COC(=O)[C@@H](COC1CCC1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266150878 950423997 /nfs/dbraw/zinc/42/39/97/950423997.db2.gz PBQJKWWUSDAQLL-GMTAPVOTSA-N 0 1 300.311 0.221 20 5 DCBDMN C[C@@]1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCNC1=O ZINC001463028891 1013105982 /nfs/dbraw/zinc/10/59/82/1013105982.db2.gz XYPVFEHSXSPYHR-CYBMUJFWSA-N 0 1 303.278 0.480 20 5 DCBDMN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nnc2n1CCC2 ZINC001331962855 951411817 /nfs/dbraw/zinc/41/18/17/951411817.db2.gz NTABIHJOSSFRFE-GXSJLCMTSA-N 0 1 321.341 0.041 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-]CC[C@H](C)[NH2+]C)c([N+](=O)[O-])n1 ZINC001332325763 951587816 /nfs/dbraw/zinc/58/78/16/951587816.db2.gz RRGGAGIZOGDLTH-QMMMGPOBSA-N 0 1 305.360 0.088 20 5 DCBDMN C[C@@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CNCCO1 ZINC001333336006 952010688 /nfs/dbraw/zinc/01/06/88/952010688.db2.gz KMIJMPQYLXLHMS-HNNXBMFYSA-N 0 1 305.334 0.858 20 5 DCBDMN COCCN(CCOC)C1CN(c2ccncc2[N+](=O)[O-])C1 ZINC001338030266 952949862 /nfs/dbraw/zinc/94/98/62/952949862.db2.gz WZPDCGYETFCBGF-UHFFFAOYSA-N 0 1 310.354 0.773 20 5 DCBDMN COC[C@H]1CNCCN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC001341640724 953241843 /nfs/dbraw/zinc/24/18/43/953241843.db2.gz RYUZIFNQPHNVCQ-GFCCVEGCSA-N 0 1 323.349 0.972 20 5 DCBDMN CC(C)(C)/C=C/C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001282858863 953701312 /nfs/dbraw/zinc/70/13/12/953701312.db2.gz VCPHPOAHMBOZPW-GKUNOOHESA-N 0 1 309.366 0.925 20 5 DCBDMN C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001347519066 954110168 /nfs/dbraw/zinc/11/01/68/954110168.db2.gz ZSGVBQIULIQOHI-BXUZGUMPSA-N 0 1 304.350 0.599 20 5 DCBDMN Cc1cc(NC(=O)C(=O)N[C@H]2CCN(C)C2)ccc1[N+](=O)[O-] ZINC001348695585 954431664 /nfs/dbraw/zinc/43/16/64/954431664.db2.gz DXWAHXQOHUPRAT-NSHDSACASA-N 0 1 306.322 0.662 20 5 DCBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc(Cl)cs1 ZINC001348934654 954538340 /nfs/dbraw/zinc/53/83/40/954538340.db2.gz QTHNOZJXTVJMPM-HTQZYQBOSA-N 0 1 317.754 0.913 20 5 DCBDMN CCN1CCN(c2nnc(C[N+](=O)[O-])n2C[C@@H]2CCOC2)CC1 ZINC001349222103 954658681 /nfs/dbraw/zinc/65/86/81/954658681.db2.gz FSLULAXLMFTCMA-LBPRGKRZSA-N 0 1 324.385 0.233 20 5 DCBDMN COC(=O)c1ccc2c(n1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001463361317 1013127915 /nfs/dbraw/zinc/12/79/15/1013127915.db2.gz VOPMJSBFRCWNAM-BXKDBHETSA-N 0 1 305.290 0.418 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc(C)nn1 ZINC001284612238 955199399 /nfs/dbraw/zinc/19/93/99/955199399.db2.gz YKWKDQULGBESRP-ZYHUDNBSSA-N 0 1 321.337 0.029 20 5 DCBDMN O=C(CCC1CC1)N(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001284733973 955249422 /nfs/dbraw/zinc/24/94/22/955249422.db2.gz MPVCGVNNGIXDBH-CHWSQXEVSA-N 0 1 309.366 0.949 20 5 DCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1=COCCC1 ZINC001285359599 955595899 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CCc1[nH]nc(C(=O)N2CCO[C@]3(CCO[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000280118590 215390213 /nfs/dbraw/zinc/39/02/13/215390213.db2.gz RYRKLWJGUSZWGH-YMTOWFKASA-N 0 1 324.337 0.900 20 5 DCBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000372748796 283336829 /nfs/dbraw/zinc/33/68/29/283336829.db2.gz LFQSLHDWIVFYME-QKCSRTOESA-N 0 1 320.349 0.342 20 5 DCBDMN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nnc[nH]1 ZINC000183205948 237276674 /nfs/dbraw/zinc/27/66/74/237276674.db2.gz CRRJTPXOKUBBSL-ZCFIWIBFSA-N 0 1 315.286 0.892 20 5 DCBDMN CCOCC[NH+]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000566564287 291312771 /nfs/dbraw/zinc/31/27/71/291312771.db2.gz UDTVNMUITQQGFP-UHFFFAOYSA-N 0 1 324.337 0.847 20 5 DCBDMN CN1CCN(C)[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000264752920 204129077 /nfs/dbraw/zinc/12/90/77/204129077.db2.gz RMLMBMHGCLYICF-CQSZACIVSA-N 0 1 321.381 0.640 20 5 DCBDMN COCC[NH+]1CCN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000572124252 291549823 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DCBDMN COCCN1CC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000264451586 396281317 /nfs/dbraw/zinc/28/13/17/396281317.db2.gz CWUDMGDMOPMNPM-NSHDSACASA-N 0 1 308.338 0.628 20 5 DCBDMN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000282333687 396281878 /nfs/dbraw/zinc/28/18/78/396281878.db2.gz XALDKGLHMSTDOP-QMMMGPOBSA-N 0 1 309.326 0.792 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1[N+](=O)[O-] ZINC000265293716 396306531 /nfs/dbraw/zinc/30/65/31/396306531.db2.gz BWFKAEUALAWXED-SECBINFHSA-N 0 1 304.310 0.990 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000265579997 396327703 /nfs/dbraw/zinc/32/77/03/396327703.db2.gz WIBFKGGHNOMSAY-YUMQZZPRSA-N 0 1 316.339 0.274 20 5 DCBDMN CNC(=O)C1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000186150064 396342684 /nfs/dbraw/zinc/34/26/84/396342684.db2.gz AWDVGSWBHNFVON-UHFFFAOYSA-N 0 1 303.278 0.289 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000269320902 396407374 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DCBDMN CCc1ccc(C(=O)NCCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000600809517 396947253 /nfs/dbraw/zinc/94/72/53/396947253.db2.gz ZXSLLYBGIIIOEX-ZDUSSCGKSA-N 0 1 307.350 0.954 20 5 DCBDMN C[C@H](C(=O)NCCN1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000600808814 396948251 /nfs/dbraw/zinc/94/82/51/396948251.db2.gz RVPPECYJEDCHNA-FZMZJTMJSA-N 0 1 307.350 0.881 20 5 DCBDMN O=[N+]([O-])c1ccn(CCN2CCN3CC(F)(F)C[C@H]3C2)n1 ZINC000592131406 397101456 /nfs/dbraw/zinc/10/14/56/397101456.db2.gz WJRDNQDCPQTOCH-JTQLQIEISA-N 0 1 301.297 0.817 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](CC(N)=O)C2)c1[N+](=O)[O-] ZINC000377189649 397045734 /nfs/dbraw/zinc/04/57/34/397045734.db2.gz JVBKNMGLDXYGHF-QMMMGPOBSA-N 0 1 309.326 0.608 20 5 DCBDMN O=c1[n-]c([C@@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)n[nH]1 ZINC000377582921 397106788 /nfs/dbraw/zinc/10/67/88/397106788.db2.gz GBTDDDMUANYUPX-SECBINFHSA-N 0 1 307.314 0.495 20 5 DCBDMN O=c1[n-]c([C@@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)n[nH]1 ZINC000377582921 397106791 /nfs/dbraw/zinc/10/67/91/397106791.db2.gz GBTDDDMUANYUPX-SECBINFHSA-N 0 1 307.314 0.495 20 5 DCBDMN COCc1nc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)n[nH]1 ZINC000598054973 397166473 /nfs/dbraw/zinc/16/64/73/397166473.db2.gz PGBZBBDNTZVFRD-UHFFFAOYSA-N 0 1 324.272 0.511 20 5 DCBDMN COCc1nnc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[nH]1 ZINC000598054973 397166476 /nfs/dbraw/zinc/16/64/76/397166476.db2.gz PGBZBBDNTZVFRD-UHFFFAOYSA-N 0 1 324.272 0.511 20 5 DCBDMN COc1cccnc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573477357 397172569 /nfs/dbraw/zinc/17/25/69/397172569.db2.gz GCVNPVRDECOBRM-NSHDSACASA-N 0 1 307.310 0.346 20 5 DCBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000573719126 397198603 /nfs/dbraw/zinc/19/86/03/397198603.db2.gz UEDUILFXZOMTKR-UHFFFAOYSA-N 0 1 306.322 0.911 20 5 DCBDMN CN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCC1=O ZINC000598293856 397210722 /nfs/dbraw/zinc/21/07/22/397210722.db2.gz MMSXIKJLEVDQEV-UHFFFAOYSA-N 0 1 317.305 0.775 20 5 DCBDMN COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000592915358 397284583 /nfs/dbraw/zinc/28/45/83/397284583.db2.gz FHQNZHJTKSUQIN-SKDRFNHKSA-N 0 1 324.289 0.296 20 5 DCBDMN CC(C)c1n[nH]c(C(=O)N(C)Cc2n[nH]c(=O)o2)c1[N+](=O)[O-] ZINC000598745811 397288871 /nfs/dbraw/zinc/28/88/71/397288871.db2.gz QGASLAOCQUJGKP-UHFFFAOYSA-N 0 1 310.270 0.802 20 5 DCBDMN C[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000598750466 397289375 /nfs/dbraw/zinc/28/93/75/397289375.db2.gz BUNHCMHCLSVKOA-UWCLWIGYSA-N 0 1 300.340 0.737 20 5 DCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](N2CCCC2=O)C1 ZINC000602799856 397488653 /nfs/dbraw/zinc/48/86/53/397488653.db2.gz QGCWPRQTIOILRK-LBPRGKRZSA-N 0 1 307.354 0.796 20 5 DCBDMN O=C([O-])[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578995782 397511640 /nfs/dbraw/zinc/51/16/40/397511640.db2.gz VCANPXVKHYFFNY-JQWIXIFHSA-N 0 1 310.306 0.884 20 5 DCBDMN COc1cc([N+](=O)[O-])c(C(=O)NCc2nn[nH]n2)cc1SC ZINC000609532814 397779574 /nfs/dbraw/zinc/77/95/74/397779574.db2.gz QZLUQEQCHGSKGA-UHFFFAOYSA-N 0 1 324.322 0.768 20 5 DCBDMN CCCc1[nH]nc(C(=O)N(C)CCN2CCCC2=O)c1[N+](=O)[O-] ZINC000609578546 397783727 /nfs/dbraw/zinc/78/37/27/397783727.db2.gz MBEBAFTVBJVMAA-UHFFFAOYSA-N 0 1 323.353 0.965 20 5 DCBDMN C[S@@](=O)CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000116901725 158168982 /nfs/dbraw/zinc/16/89/82/158168982.db2.gz ODHJSOOQBFYKLH-IBGZPJMESA-N 0 1 324.355 0.781 20 5 DCBDMN CC[NH2+][C@H](C)C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000359270018 159258605 /nfs/dbraw/zinc/25/86/05/159258605.db2.gz DVXNZIPJZYDPPM-MRVPVSSYSA-N 0 1 305.360 0.088 20 5 DCBDMN O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000368020159 159370717 /nfs/dbraw/zinc/37/07/17/159370717.db2.gz OHSIDDYCCOIASO-NEPJUHHUSA-N 0 1 321.333 0.893 20 5 DCBDMN O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000368020160 159370861 /nfs/dbraw/zinc/37/08/61/159370861.db2.gz OHSIDDYCCOIASO-NWDGAFQWSA-N 0 1 321.333 0.893 20 5 DCBDMN C[C@@H](CC(N)=O)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000336834256 286800143 /nfs/dbraw/zinc/80/01/43/286800143.db2.gz HQQFFNYNLDNQLC-LURJTMIESA-N 0 1 305.287 0.276 20 5 DCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000138240813 287029276 /nfs/dbraw/zinc/02/92/76/287029276.db2.gz JJGVCGAFASHMOH-SECBINFHSA-N 0 1 317.305 0.753 20 5 DCBDMN C[C@@H](O)CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)CO ZINC000248934236 287103827 /nfs/dbraw/zinc/10/38/27/287103827.db2.gz MYWQEMXQBCABKV-NXEZZACHSA-N 0 1 311.338 0.257 20 5 DCBDMN CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000362884439 287218007 /nfs/dbraw/zinc/21/80/07/287218007.db2.gz IVZKDZILHCERDP-UPJWGTAASA-N 0 1 303.318 0.351 20 5 DCBDMN CN1CCN(C)[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000268055732 415153070 /nfs/dbraw/zinc/15/30/70/415153070.db2.gz SRNDQMFVAMLWOF-OAHLLOKOSA-N 0 1 320.393 0.889 20 5 DCBDMN COc1cc(S(=O)(=O)N(C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000268219841 415180243 /nfs/dbraw/zinc/18/02/43/415180243.db2.gz CBVIDBLHEAHKBX-UHFFFAOYSA-N 0 1 317.367 0.786 20 5 DCBDMN O=C(CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)NC1CC1 ZINC000045295009 415247944 /nfs/dbraw/zinc/24/79/44/415247944.db2.gz JTROJKGQHTWDOI-UHFFFAOYSA-N 0 1 303.278 0.480 20 5 DCBDMN Cc1[nH]nc(C(=O)N(CCS(C)(=O)=O)C(C)C)c1[N+](=O)[O-] ZINC000270084938 415257325 /nfs/dbraw/zinc/25/73/25/415257325.db2.gz RQUDSCFFZPNQAD-UHFFFAOYSA-N 0 1 318.355 0.522 20 5 DCBDMN CN(Cc1nnc[nH]1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000080527549 415481407 /nfs/dbraw/zinc/48/14/07/415481407.db2.gz MQSRYIBBGYFWEC-UHFFFAOYSA-N 0 1 311.323 0.675 20 5 DCBDMN CS(=O)(=O)c1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000343132875 415468482 /nfs/dbraw/zinc/46/84/82/415468482.db2.gz MQPIJOJLXDNFEF-UHFFFAOYSA-N 0 1 324.318 0.651 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCO[C@@]3(CCO[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000280209598 415534990 /nfs/dbraw/zinc/53/49/90/415534990.db2.gz WQIHWHBXFJBYFM-RNCFNFMXSA-N 0 1 310.310 0.646 20 5 DCBDMN C[C@H](O)CN1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000281585983 415555352 /nfs/dbraw/zinc/55/53/52/415555352.db2.gz MVZCNAGGVIAACF-UWVGGRQHSA-N 0 1 324.337 0.223 20 5 DCBDMN Cc1n[nH]c(C(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000281657380 415564233 /nfs/dbraw/zinc/56/42/33/415564233.db2.gz RZDVCQADRQGPNU-RKDXNWHRSA-N 0 1 311.342 0.153 20 5 DCBDMN C[C@@H](CN(C)C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000286792434 415636690 /nfs/dbraw/zinc/63/66/90/415636690.db2.gz SEPXGHSPKWXCIM-JTQLQIEISA-N 0 1 301.368 0.964 20 5 DCBDMN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000287279230 415651968 /nfs/dbraw/zinc/65/19/68/415651968.db2.gz CTLJZSDIRXWNAX-JTQLQIEISA-N 0 1 309.326 0.112 20 5 DCBDMN O=c1[n-]nc([C@@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)o1 ZINC000295458204 415893938 /nfs/dbraw/zinc/89/39/38/415893938.db2.gz WZKCASJZINROAX-SECBINFHSA-N 0 1 308.298 0.347 20 5 DCBDMN CC[C@H](O)C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000133416197 415947140 /nfs/dbraw/zinc/94/71/40/415947140.db2.gz RKRFVTNYLOHUJA-NSHDSACASA-N 0 1 323.349 0.829 20 5 DCBDMN Nc1nnc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)o1 ZINC000356558863 415949466 /nfs/dbraw/zinc/94/94/66/415949466.db2.gz VXIJGCQWOZSVMP-UHFFFAOYSA-N 0 1 303.238 0.366 20 5 DCBDMN CN(C)C(=O)COC1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000356627161 415965351 /nfs/dbraw/zinc/96/53/51/415965351.db2.gz CRGNLZBQIVEIGP-UHFFFAOYSA-N 0 1 323.305 0.230 20 5 DCBDMN CO[C@@H]1C[C@H](c2n[nH]c(C)n2)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000344735460 415979052 /nfs/dbraw/zinc/97/90/52/415979052.db2.gz NHXJNVFRKVWRKZ-NXEZZACHSA-N 0 1 321.341 0.717 20 5 DCBDMN CO[C@H]1C[C@H](c2nnc[nH]2)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000344738765 415980529 /nfs/dbraw/zinc/98/05/29/415980529.db2.gz OPSVGBCVDDNTBA-DTWKUNHWSA-N 0 1 307.314 0.408 20 5 DCBDMN CO[C@@H]1C[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])nn2C)N(C)C1 ZINC000344510024 415934359 /nfs/dbraw/zinc/93/43/59/415934359.db2.gz KNIXUPFPQWYYMX-VHSXEESVSA-N 0 1 311.342 0.119 20 5 DCBDMN CNC(=O)CCN(C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000171759097 416041303 /nfs/dbraw/zinc/04/13/03/416041303.db2.gz UPPQVTPJIPKSTC-ZDUSSCGKSA-N 0 1 320.349 0.768 20 5 DCBDMN O=C(N[C@@H](CO)[C@@H]1CCCO1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000357457478 416083846 /nfs/dbraw/zinc/08/38/46/416083846.db2.gz WQRVIQAWBIXNSP-RYUDHWBXSA-N 0 1 320.305 0.741 20 5 DCBDMN CN(Cc1nnc[nH]1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000345570908 416116691 /nfs/dbraw/zinc/11/66/91/416116691.db2.gz QECAQJHAQCYYTK-UHFFFAOYSA-N 0 1 304.310 0.808 20 5 DCBDMN C[C@@H]1CN(C)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330662387 416225614 /nfs/dbraw/zinc/22/56/14/416225614.db2.gz DHJVDCBGBWIHCE-OCCSQVGLSA-N 0 1 309.366 0.970 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCNC[C@@H]2c2nccn2C)c1[N+](=O)[O-] ZINC000261722334 416335560 /nfs/dbraw/zinc/33/55/60/416335560.db2.gz LRHMSKCXYZOPRF-SECBINFHSA-N 0 1 319.325 0.147 20 5 DCBDMN C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000415567052 416347759 /nfs/dbraw/zinc/34/77/59/416347759.db2.gz PXWDZANDZWPFMK-ZJUUUORDSA-N 0 1 306.322 0.742 20 5 DCBDMN CO[C@@H]1COC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000458334422 416453858 /nfs/dbraw/zinc/45/38/58/416453858.db2.gz CNFIUJQUOSEBPO-WDEREUQCSA-N 0 1 306.278 0.615 20 5 DCBDMN O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCNCC1 ZINC000591902393 416536656 /nfs/dbraw/zinc/53/66/56/416536656.db2.gz LKENAAKRGZHUHL-UHFFFAOYSA-N 0 1 320.349 0.477 20 5 DCBDMN COC1CCN(CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000594316801 416560740 /nfs/dbraw/zinc/56/07/40/416560740.db2.gz TVJNNLQRPFBPAI-UHFFFAOYSA-N 0 1 323.353 0.413 20 5 DCBDMN C[C@H]1C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000440806019 416649781 /nfs/dbraw/zinc/64/97/81/416649781.db2.gz GWFJHWKOQYAINH-YUMQZZPRSA-N 0 1 305.381 0.933 20 5 DCBDMN NC(=O)c1cccc([N+](=O)[O-])c1N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425290872 416690453 /nfs/dbraw/zinc/69/04/53/416690453.db2.gz YIMCPNHKLFRGBB-MRVPVSSYSA-N 0 1 302.294 0.806 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000445548775 416892504 /nfs/dbraw/zinc/89/25/04/416892504.db2.gz MBIYIRLWFHWGGK-BDAKNGLRSA-N 0 1 317.371 0.359 20 5 DCBDMN CCN(CCNS(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1 ZINC000525175221 417127840 /nfs/dbraw/zinc/12/78/40/417127840.db2.gz MJCMCZFUNBKCQC-UHFFFAOYSA-N 0 1 314.367 0.752 20 5 DCBDMN CCOC(=O)c1cc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])n[nH]1 ZINC000574136614 417479640 /nfs/dbraw/zinc/47/96/40/417479640.db2.gz VVJCYKBVFREPIJ-UHFFFAOYSA-N 0 1 322.281 0.963 20 5 DCBDMN O=C(NCCc1nc[nH]n1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000530880876 417595279 /nfs/dbraw/zinc/59/52/79/417595279.db2.gz ZPFGJFZNFAOAIU-UHFFFAOYSA-N 0 1 319.277 0.457 20 5 DCBDMN CNc1nc(C(=O)N[C@H](C)c2n[nH]c(C)n2)ccc1[N+](=O)[O-] ZINC000456021780 417623095 /nfs/dbraw/zinc/62/30/95/417623095.db2.gz ARGYKVULDYSYBG-ZCFIWIBFSA-N 0 1 305.298 0.949 20 5 DCBDMN Cc1n[nH]c(C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000456209456 417634313 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CCc1[nH]nc(C(=O)N2CCOC[C@H]2C[C@@H](C)O)c1[N+](=O)[O-] ZINC000444362706 416836900 /nfs/dbraw/zinc/83/69/00/416836900.db2.gz GCWGUOUIGYZAPV-RKDXNWHRSA-N 0 1 312.326 0.492 20 5 DCBDMN O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000452360320 417471776 /nfs/dbraw/zinc/47/17/76/417471776.db2.gz ILWFHFQNSLWWPZ-LBPRGKRZSA-N 0 1 323.349 0.877 20 5 DCBDMN CNc1nc(C(=O)NCCN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000456582795 417654967 /nfs/dbraw/zinc/65/49/67/417654967.db2.gz CORXVFQVJFXADM-UHFFFAOYSA-N 0 1 323.353 0.218 20 5 DCBDMN CCc1[nH]nc(C(=O)N(CC(F)F)C[C@H](C)O)c1[N+](=O)[O-] ZINC000456552852 417655675 /nfs/dbraw/zinc/65/56/75/417655675.db2.gz MUFSDFZZUIVHPP-LURJTMIESA-N 0 1 306.269 0.968 20 5 DCBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000580581861 417714702 /nfs/dbraw/zinc/71/47/02/417714702.db2.gz OPTPGXKUKVYUBQ-CYBMUJFWSA-N 0 1 309.370 0.588 20 5 DCBDMN CNC(=O)C[C@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000323109073 261178239 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COCCN1CCCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356146997 261396595 /nfs/dbraw/zinc/39/65/95/261396595.db2.gz PZQFVAOQVOBKAZ-UHFFFAOYSA-N 0 1 311.342 0.123 20 5 DCBDMN CC(C)[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000362843018 262080416 /nfs/dbraw/zinc/08/04/16/262080416.db2.gz NRSJXRJUIIBGOJ-ZDUSSCGKSA-N 0 1 324.385 0.773 20 5 DCBDMN COC(=O)[C@@H]1CN(C)CCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000413497314 262214310 /nfs/dbraw/zinc/21/43/10/262214310.db2.gz LKGFJKZLINEQPN-LLVKDONJSA-N 0 1 308.338 0.839 20 5 DCBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN1CCCCC1 ZINC000413818043 262223318 /nfs/dbraw/zinc/22/33/18/262223318.db2.gz NAEMXRKPYNZOIT-JTQLQIEISA-N 0 1 323.353 0.149 20 5 DCBDMN COc1ccc(OCCN2C[C@H](O)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000459714469 272006533 /nfs/dbraw/zinc/00/65/33/272006533.db2.gz UTLCUDQKPDSKGJ-MFKMUULPSA-N 0 1 312.322 0.267 20 5 DCBDMN CCc1nn(C)c(N2CCN([C@@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000373177952 273777044 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O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCc1nnc[nH]1 ZINC000151910385 534886546 /nfs/dbraw/zinc/88/65/46/534886546.db2.gz KHFIMWSTTDRGHB-UHFFFAOYSA-N 0 1 315.286 0.373 20 5 DCBDMN COC(=O)N1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000493930183 536428606 /nfs/dbraw/zinc/42/86/06/536428606.db2.gz NIGAZYDLKSTGJV-UHFFFAOYSA-N 0 1 309.278 0.825 20 5 DCBDMN O=C(NCC[N@@H+]1CCCOCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000189446389 526312352 /nfs/dbraw/zinc/31/23/52/526312352.db2.gz CKNIXPUJRINGCW-UHFFFAOYSA-N 0 1 309.322 0.753 20 5 DCBDMN O=C(NCC[N@H+]1CCCOCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000189446389 526312361 /nfs/dbraw/zinc/31/23/61/526312361.db2.gz CKNIXPUJRINGCW-UHFFFAOYSA-N 0 1 309.322 0.753 20 5 DCBDMN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000275682004 536555456 /nfs/dbraw/zinc/55/54/56/536555456.db2.gz WZOYESFCGIGSIM-NEPJUHHUSA-N 0 1 324.289 0.439 20 5 DCBDMN Cc1nc(CCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)n[nH]1 ZINC000822440136 606198694 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20 5 DCBDMN CCCn1cc(C(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001745112632 1157772383 /nfs/dbraw/zinc/77/23/83/1157772383.db2.gz PWIWNKZISDDFRK-VXGBXAGGSA-N 0 1 323.353 0.147 20 5 DCBDMN CCc1[nH]ccc1C(=O)N(CC)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001745308320 1157886982 /nfs/dbraw/zinc/88/69/82/1157886982.db2.gz LMQSLFVQFFLDRV-DGCLKSJQSA-N 0 1 322.365 0.821 20 5 DCBDMN O=C(NCCCn1cccnc1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001568698617 1160741797 /nfs/dbraw/zinc/74/17/97/1160741797.db2.gz LMRUGKUMMSQZDE-UHFFFAOYSA-N 0 1 318.289 0.677 20 5 DCBDMN CC(C)OCC(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001576402212 1164325729 /nfs/dbraw/zinc/32/57/29/1164325729.db2.gz SPMARPKKBYNBNO-VXGBXAGGSA-N 0 1 313.354 0.184 20 5 DCBDMN COC[C@@H]1CNCCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001578989260 1165180104 /nfs/dbraw/zinc/18/01/04/1165180104.db2.gz NGYSDBSWQISAAX-STQMWFEESA-N 0 1 309.322 0.075 20 5 DCBDMN O=C(CC(F)(F)F)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC001579102912 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XVPXSGBWXANYHM-LLVKDONJSA-N 0 1 321.333 0.992 20 5 DCBDMN C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](C(=O)[O-])C1 ZINC001610137685 1171171365 /nfs/dbraw/zinc/17/13/65/1171171365.db2.gz UJWJOKJWRSCNBV-VIFPVBQESA-N 0 1 324.293 0.956 20 5 DCBDMN O=C(NCC1CN(c2ncc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC001612803463 1171364674 /nfs/dbraw/zinc/36/46/74/1171364674.db2.gz YSALPPDBHYBQLJ-UHFFFAOYSA-N 0 1 305.216 0.500 20 5 DCBDMN CN1Cc2ccccc2[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1=O ZINC001629664910 1171555157 /nfs/dbraw/zinc/55/51/57/1171555157.db2.gz NFIKSJHXWZUDGV-NSHDSACASA-N 0 1 315.289 0.761 20 5 DCBDMN Cn1c(=O)[nH]nc1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001631262814 1171590782 /nfs/dbraw/zinc/59/07/82/1171590782.db2.gz VRNZPSJBNJYGIW-UHFFFAOYSA-N 0 1 316.277 0.840 20 5 DCBDMN COc1cccc(C(=O)CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC001632981387 1171628329 /nfs/dbraw/zinc/62/83/29/1171628329.db2.gz DGSXJWPNKNYQQB-UHFFFAOYSA-N 0 1 304.262 0.939 20 5 DCBDMN O=C(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001637691027 1171775459 /nfs/dbraw/zinc/77/54/59/1171775459.db2.gz FDEYSJQCSMHMOQ-ICCXJUOJSA-N 0 1 308.290 0.834 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](O)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC001639297479 1171831942 /nfs/dbraw/zinc/83/19/42/1171831942.db2.gz LBVLEIORQUYTSA-BDAKNGLRSA-N 0 1 312.326 0.257 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](O)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC001639297490 1171832139 /nfs/dbraw/zinc/83/21/39/1171832139.db2.gz LBVLEIORQUYTSA-RKDXNWHRSA-N 0 1 312.326 0.257 20 5 DCBDMN CCc1[nH]nc(C(=O)N2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC001639372908 1171833491 /nfs/dbraw/zinc/83/34/91/1171833491.db2.gz OFGYJPZBRYNSAP-IWSPIJDZSA-N 0 1 323.353 0.960 20 5 DCBDMN CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nn[nH]n1 ZINC001642427423 1171944980 /nfs/dbraw/zinc/94/49/80/1171944980.db2.gz OMMYTDQUFPVWFI-UHFFFAOYSA-N 0 1 305.298 0.963 20 5 DCBDMN CN1C(=O)c2ccccc2[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001642706415 1171953784 /nfs/dbraw/zinc/95/37/84/1171953784.db2.gz VFYCPVMUAMHGND-SNVBAGLBSA-N 0 1 315.289 0.875 20 5 DCBDMN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H](O)c1cnc[nH]1 ZINC001644693020 1172014485 /nfs/dbraw/zinc/01/44/85/1172014485.db2.gz GKLRVUUYDPRPOG-GFCCVEGCSA-N 0 1 324.268 0.686 20 5 DCBDMN CSCc1n[nH]c(CNC(=O)c2c([N+](=O)[O-])cnn2C)n1 ZINC001644877343 1172024265 /nfs/dbraw/zinc/02/42/65/1172024265.db2.gz BDNXCRHFMLLXPC-UHFFFAOYSA-N 0 1 311.327 0.239 20 5 DCBDMN CSCc1nnc(CNC(=O)c2c([N+](=O)[O-])cnn2C)[nH]1 ZINC001644877343 1172024272 /nfs/dbraw/zinc/02/42/72/1172024272.db2.gz BDNXCRHFMLLXPC-UHFFFAOYSA-N 0 1 311.327 0.239 20 5 DCBDMN C[C@@](CO)(NCCN1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC001648020619 1173063860 /nfs/dbraw/zinc/06/38/60/1173063860.db2.gz YVLYNPOTMKJAIV-AWEZNQCLSA-N 0 1 309.322 0.844 20 5 DCBDMN O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001648402125 1173074251 /nfs/dbraw/zinc/07/42/51/1173074251.db2.gz IVTSRODAEKZLFQ-GHMZBOCLSA-N 0 1 309.322 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1174575712 /nfs/dbraw/zinc/57/57/12/1174575712.db2.gz IIBWNAURWMPXCT-UHFFFAOYSA-N 0 1 324.318 0.872 20 5 DCBDMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1conc1C1CC1 ZINC001687004026 1176264244 /nfs/dbraw/zinc/26/42/44/1176264244.db2.gz VYJNNPVSOXKFKF-MWLCHTKSSA-N 0 1 322.321 0.453 20 5 DCBDMN O=C(COc1ccccc1)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001687004021 1176264296 /nfs/dbraw/zinc/26/42/96/1176264296.db2.gz VRGYVPIFWYUSJX-CHWSQXEVSA-N 0 1 321.333 0.353 20 5 DCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccncc1F ZINC001688325719 1176453879 /nfs/dbraw/zinc/45/38/79/1176453879.db2.gz NOBBJUUWVTUQSZ-MWLCHTKSSA-N 0 1 310.285 0.074 20 5 DCBDMN O=C(CCc1ccco1)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001689569155 1176954304 /nfs/dbraw/zinc/95/43/04/1176954304.db2.gz KUSFPSQXGDUDIU-VXGBXAGGSA-N 0 1 321.333 0.642 20 5 DCBDMN CC(=O)NCC(=O)NC/C=C/CNCc1ccccc1[N+](=O)[O-] ZINC001699223623 1177954505 /nfs/dbraw/zinc/95/45/05/1177954505.db2.gz GJUHZTLYJYAMHQ-SNAWJCMRSA-N 0 1 320.349 0.493 20 5 DCBDMN CCc1nc[nH]c1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001705285940 1180333561 /nfs/dbraw/zinc/33/35/61/1180333561.db2.gz QCXYLKREOWCHBB-PSASIEDQSA-N 0 1 321.337 0.016 20 5 DCBDMN CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)Cc1ccco1 ZINC001714772609 1181537755 /nfs/dbraw/zinc/53/77/55/1181537755.db2.gz NSUVWXUECCDCBU-UHFFFAOYSA-N 0 1 321.337 0.712 20 5 DCBDMN Cc1ccc(C(=O)NCCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1C ZINC001720443044 1183602674 /nfs/dbraw/zinc/60/26/74/1183602674.db2.gz ACNUPAAIGFWZLE-DGCLKSJQSA-N 0 1 322.365 0.577 20 5 DCBDMN CCc1n[nH]cc1C(=O)NCCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001720514553 1183636655 /nfs/dbraw/zinc/63/66/55/1183636655.db2.gz BLUPDGYYIGPXAY-BXKDBHETSA-N 0 1 323.353 0.216 20 5 DCBDMN CC(F)(F)CC(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001721854874 1184081702 /nfs/dbraw/zinc/08/17/02/1184081702.db2.gz NHQJDZMSPBOZCG-KHVQUVQLSA-N 0 1 305.281 0.486 20 5 DCBDMN Cc1nc(CN(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)o1 ZINC001731239877 1185204520 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396567121 /nfs/dbraw/zinc/56/71/21/396567121.db2.gz IWWKJUDCJJJXFA-QWRGUYRKSA-N 0 1 322.321 0.288 20 5 DCBDMN O=CN1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000294087090 396652605 /nfs/dbraw/zinc/65/26/05/396652605.db2.gz ATQJNMMDHKWGOH-ZDUSSCGKSA-N 0 1 323.349 0.499 20 5 DCBDMN C[C@H]1NCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000581884306 396590281 /nfs/dbraw/zinc/59/02/81/396590281.db2.gz DMXLSVFPEDADDJ-RKDXNWHRSA-N 0 1 300.340 0.361 20 5 DCBDMN O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCc3cn[nH]n3)C2)nc1 ZINC000595374503 396597492 /nfs/dbraw/zinc/59/74/92/396597492.db2.gz CXMWXESMOPNESO-NSHDSACASA-N 0 1 303.326 0.837 20 5 DCBDMN Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588860074 396695713 /nfs/dbraw/zinc/69/57/13/396695713.db2.gz CIPDAIOHXNHRRZ-QWRGUYRKSA-N 0 1 320.349 0.458 20 5 DCBDMN O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588863731 396697240 /nfs/dbraw/zinc/69/72/40/396697240.db2.gz VIBUYIQVZFDTAX-VXGBXAGGSA-N 0 1 321.333 0.582 20 5 DCBDMN O=C(NCc1c[nH]c(=O)[nH]1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000590552447 396794995 /nfs/dbraw/zinc/79/49/95/396794995.db2.gz MSOQJBOTROPOGC-UHFFFAOYSA-N 0 1 302.250 0.830 20 5 DCBDMN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000611200263 396833796 /nfs/dbraw/zinc/83/37/96/396833796.db2.gz ZLOZPKCLKJBCST-NSHDSACASA-N 0 1 323.353 0.645 20 5 DCBDMN COc1ccc(CNC(=O)Cc2n[nH]c(C)n2)cc1[N+](=O)[O-] ZINC000596877617 396848836 /nfs/dbraw/zinc/84/88/36/396848836.db2.gz SYSWBOPRAALSER-UHFFFAOYSA-N 0 1 305.294 0.889 20 5 DCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C[C@@H]2CCCO2)CC1 ZINC000611442799 396867016 /nfs/dbraw/zinc/86/70/16/396867016.db2.gz BMRZCUQKGOXVCO-AWEZNQCLSA-N 0 1 323.397 0.896 20 5 DCBDMN C[C@@H]1C[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2nccn21 ZINC000564205561 396815284 /nfs/dbraw/zinc/81/52/84/396815284.db2.gz ZLQAMNCZGJJUHQ-YUSALJHKSA-N 0 1 306.326 0.644 20 5 DCBDMN Cn1cnc([N+](=O)[O-])c1CN1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000331639536 396873785 /nfs/dbraw/zinc/87/37/85/396873785.db2.gz PIEPCKZVRVHHBF-MNOVXSKESA-N 0 1 307.354 0.819 20 5 DCBDMN CN(C[C@@H]1COCCO1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000598181405 397185435 /nfs/dbraw/zinc/18/54/35/397185435.db2.gz MGHFLMIBCYUZPF-SNVBAGLBSA-N 0 1 320.305 0.959 20 5 DCBDMN O=C(N[C@H](c1nn[nH]n1)c1ccccc1)c1c[nH]nc1[N+](=O)[O-] ZINC000619786317 397192744 /nfs/dbraw/zinc/19/27/44/397192744.db2.gz QQMZASMMJLRRLB-VIFPVBQESA-N 0 1 314.265 0.350 20 5 DCBDMN COC(=O)[C@@H]1CNCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000592555604 397213264 /nfs/dbraw/zinc/21/32/64/397213264.db2.gz XTFFWBCGRXZXML-VIFPVBQESA-N 0 1 313.335 0.633 20 5 DCBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1COCCN1 ZINC000602551957 397437888 /nfs/dbraw/zinc/43/78/88/397437888.db2.gz PZIYTMNXYUXWMS-JTQLQIEISA-N 0 1 313.741 0.895 20 5 DCBDMN CC(=O)NC[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000599689299 397506041 /nfs/dbraw/zinc/50/60/41/397506041.db2.gz IRXHUEXNZQQLLH-ZDUSSCGKSA-N 0 1 322.365 0.747 20 5 DCBDMN O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@H]1COCCN1 ZINC000599921157 397540771 /nfs/dbraw/zinc/54/07/71/397540771.db2.gz DCIAPYKMZOKOJM-NSHDSACASA-N 0 1 324.337 0.261 20 5 DCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000609352198 397772594 /nfs/dbraw/zinc/77/25/94/397772594.db2.gz PUWXITKBCSZCMS-LLVKDONJSA-N 0 1 323.353 0.003 20 5 DCBDMN CCCN(CC(=O)N(C)C)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000171665411 158385177 /nfs/dbraw/zinc/38/51/77/158385177.db2.gz FWOHXGYPUHYRSB-UHFFFAOYSA-N 0 1 311.342 0.821 20 5 DCBDMN O=C1NCCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000330369576 159164986 /nfs/dbraw/zinc/16/49/86/159164986.db2.gz YJGCCDAKAPNCKN-MRVPVSSYSA-N 0 1 317.298 0.291 20 5 DCBDMN O=C(COc1ccc([N+](=O)[O-])cc1)NC1(c2nn[nH]n2)CC1 ZINC000348276517 159237413 /nfs/dbraw/zinc/23/74/13/159237413.db2.gz OEMYVYHMPICXCO-UHFFFAOYSA-N 0 1 304.266 0.292 20 5 DCBDMN O=C(NCCNC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccs1 ZINC000136480823 287026802 /nfs/dbraw/zinc/02/68/02/287026802.db2.gz GOVZNUFCQTVTSE-UHFFFAOYSA-N 0 1 309.307 0.539 20 5 DCBDMN Cc1nc([C@@H]2CCCN(c3ncc([N+](=O)[O-])c(N)n3)C2)n[nH]1 ZINC000268408394 415207457 /nfs/dbraw/zinc/20/74/57/415207457.db2.gz SFOGCOOVIIEFMT-MRVPVSSYSA-N 0 1 304.314 0.778 20 5 DCBDMN Cc1nnc([C@@H]2CCCN(c3ncc([N+](=O)[O-])c(N)n3)C2)[nH]1 ZINC000268408394 415207463 /nfs/dbraw/zinc/20/74/63/415207463.db2.gz SFOGCOOVIIEFMT-MRVPVSSYSA-N 0 1 304.314 0.778 20 5 DCBDMN Cn1c(C(=O)N[C@H](CO)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000352866144 415350403 /nfs/dbraw/zinc/35/04/03/415350403.db2.gz KFXVCTPUZGDWHW-NSHDSACASA-N 0 1 310.354 0.510 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N(C[C@H](C)O)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000275939115 415394076 /nfs/dbraw/zinc/39/40/76/415394076.db2.gz BOVOYTKLCITZQJ-IUCAKERBSA-N 0 1 314.342 0.645 20 5 DCBDMN CC(C)c1nc([C@@H](C)NC(=O)Cn2cnc([N+](=O)[O-])n2)n[nH]1 ZINC000343002016 415401522 /nfs/dbraw/zinc/40/15/22/415401522.db2.gz VPSQGKWAAKKQJO-SSDOTTSWSA-N 0 1 308.302 0.305 20 5 DCBDMN C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278083361 415481505 /nfs/dbraw/zinc/48/15/05/415481505.db2.gz HMTUGVOFYDUNCQ-KCJUWKMLSA-N 0 1 306.322 0.908 20 5 DCBDMN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278083361 415481511 /nfs/dbraw/zinc/48/15/11/415481511.db2.gz HMTUGVOFYDUNCQ-KCJUWKMLSA-N 0 1 306.322 0.908 20 5 DCBDMN COc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCC(O)CC1 ZINC000297048020 415948785 /nfs/dbraw/zinc/94/87/85/415948785.db2.gz TYIYRNJPZVEQJL-UHFFFAOYSA-N 0 1 323.349 0.790 20 5 DCBDMN NC(=O)c1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)o1 ZINC000356627144 415964823 /nfs/dbraw/zinc/96/48/23/415964823.db2.gz CQQVLWWOCBZWMB-UHFFFAOYSA-N 0 1 305.246 0.922 20 5 DCBDMN CCOC(=O)c1ccnc(NCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000153556190 415981926 /nfs/dbraw/zinc/98/19/26/415981926.db2.gz PDMFYDHCCYMVCD-UHFFFAOYSA-N 0 1 306.282 0.939 20 5 DCBDMN COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357465970 416085176 /nfs/dbraw/zinc/08/51/76/416085176.db2.gz KGHKEYXATAYLDC-QWRGUYRKSA-N 0 1 310.262 0.049 20 5 DCBDMN CC(C)(C(=O)NCCN1CC=CCC1)n1cc([N+](=O)[O-])cn1 ZINC000357602008 416104181 /nfs/dbraw/zinc/10/41/81/416104181.db2.gz BCRHRNNYSIHASG-UHFFFAOYSA-N 0 1 307.354 0.905 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC(c3nc(C)no3)C2)c1[N+](=O)[O-] ZINC000434552797 416482963 /nfs/dbraw/zinc/48/29/63/416482963.db2.gz ZJFCZXQCKLJSDD-UHFFFAOYSA-N 0 1 306.282 0.811 20 5 DCBDMN CNc1c(C(=O)N2CCc3[nH]nnc3C2)cccc1[N+](=O)[O-] ZINC000361327856 416429789 /nfs/dbraw/zinc/42/97/89/416429789.db2.gz CONDWRJRQLXGFG-UHFFFAOYSA-N 0 1 302.294 0.953 20 5 DCBDMN C[C@@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000582184036 416448628 /nfs/dbraw/zinc/44/86/28/416448628.db2.gz JWQGYGGLFLCQFP-SECBINFHSA-N 0 1 310.310 0.191 20 5 DCBDMN C[C@@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000582184036 416448634 /nfs/dbraw/zinc/44/86/34/416448634.db2.gz JWQGYGGLFLCQFP-SECBINFHSA-N 0 1 310.310 0.191 20 5 DCBDMN COc1cc(CNc2n[nH]c(N(C)C)n2)c([N+](=O)[O-])cc1O ZINC000424167364 416622225 /nfs/dbraw/zinc/62/22/25/416622225.db2.gz DRIVFXCZOWGZGL-UHFFFAOYSA-N 0 1 308.298 1.105 20 5 DCBDMN CCOC(=O)c1cc(C(=O)NCc2c[nH]nn2)cc([N+](=O)[O-])c1 ZINC000610486896 416658313 /nfs/dbraw/zinc/65/83/13/416658313.db2.gz WGHVSJLANHHASI-UHFFFAOYSA-N 0 1 319.277 0.820 20 5 DCBDMN Cn1ccnc1-c1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])[nH]n1 ZINC000554890033 416711881 /nfs/dbraw/zinc/71/18/81/416711881.db2.gz YROVUKZCKRVLEV-UHFFFAOYSA-N 0 1 302.254 0.694 20 5 DCBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2C[C@@H](O)C2)cc1 ZINC000516458785 416725235 /nfs/dbraw/zinc/72/52/35/416725235.db2.gz LCCSPQLTADJOPP-JGZJWPJOSA-N 0 1 300.336 0.481 20 5 DCBDMN CCc1nnnn1-c1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000369504611 416787245 /nfs/dbraw/zinc/78/72/45/416787245.db2.gz CAKIFBDUEVDXQF-LDYMZIIASA-N 0 1 302.294 0.828 20 5 DCBDMN CCO[C@H]1C[C@@](CO)(NCc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000444801115 416872506 /nfs/dbraw/zinc/87/25/06/416872506.db2.gz VXSXVAIDGZGMCZ-FZMZJTMJSA-N 0 1 312.370 0.984 20 5 DCBDMN Nc1ncc2c(n1)CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 ZINC000563504392 416881307 /nfs/dbraw/zinc/88/13/07/416881307.db2.gz HMCUGELRAOPHGL-UHFFFAOYSA-N 0 1 315.289 0.871 20 5 DCBDMN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CCN1CC(C)(C)O ZINC000444545757 416848663 /nfs/dbraw/zinc/84/86/63/416848663.db2.gz LKKJSPKFHFVMQF-NSHDSACASA-N 0 1 324.381 0.851 20 5 DCBDMN CCOC(=O)c1nc(C)[nH]c1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000525643826 417142775 /nfs/dbraw/zinc/14/27/75/417142775.db2.gz GGGGKDJOQNIESQ-UHFFFAOYSA-N 0 1 322.281 0.638 20 5 DCBDMN Nc1nccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)c1[N+](=O)[O-] ZINC000579219384 417689870 /nfs/dbraw/zinc/68/98/70/417689870.db2.gz CFMWTXVIFLJFRI-SECBINFHSA-N 0 1 302.294 1.103 20 5 DCBDMN O=[N+]([O-])c1cccc(CS(=O)(=O)NCC(F)(F)CO)c1 ZINC000184302246 261118638 /nfs/dbraw/zinc/11/86/38/261118638.db2.gz WAXPQUNWQSJDGW-UHFFFAOYSA-N 0 1 310.278 0.642 20 5 DCBDMN CC[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CCN1CCOC ZINC000355939991 261377669 /nfs/dbraw/zinc/37/76/69/261377669.db2.gz YKKMZMZURSYFCK-LBPRGKRZSA-N 0 1 311.386 0.871 20 5 DCBDMN C[C@@H](CN1CCN(C)CC1)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420598980 262378221 /nfs/dbraw/zinc/37/82/21/262378221.db2.gz KLARDIIOGPJADF-NSHDSACASA-N 0 1 321.381 0.742 20 5 DCBDMN CN(CCCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421006068 262389747 /nfs/dbraw/zinc/38/97/47/262389747.db2.gz GSKHKYTVSFLLJC-UHFFFAOYSA-N 0 1 317.367 0.187 20 5 DCBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2nn[nH]n2)C1 ZINC000370853906 271215205 /nfs/dbraw/zinc/21/52/05/271215205.db2.gz VSLOUEXGDJWKFY-NSHDSACASA-N 0 1 318.293 0.630 20 5 DCBDMN O=C(C=Cc1ccccc1[N+](=O)[O-])NC1(c2nn[nH]n2)CC1 ZINC000492035283 272114036 /nfs/dbraw/zinc/11/40/36/272114036.db2.gz WFFYMCPXIVVKKQ-AATRIKPKSA-N 0 1 300.278 0.927 20 5 DCBDMN CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000497032906 272364689 /nfs/dbraw/zinc/36/46/89/272364689.db2.gz GWTQRWAYTYPAKL-NZFPMDFQSA-N 0 1 311.338 0.633 20 5 DCBDMN C[C@@H](O)CN1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000174732136 274270941 /nfs/dbraw/zinc/27/09/41/274270941.db2.gz DEOFCKCHGTXLPD-GHMZBOCLSA-N 0 1 322.365 0.585 20 5 DCBDMN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC(=O)N1C ZINC000282534815 274332251 /nfs/dbraw/zinc/33/22/51/274332251.db2.gz ZYMHDXMKSAGCMX-MRVPVSSYSA-N 0 1 317.305 0.774 20 5 DCBDMN C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)N1CCO ZINC000450794029 274363470 /nfs/dbraw/zinc/36/34/70/274363470.db2.gz RGYBLNJITHBPFG-PHIMTYICSA-N 0 1 322.365 0.585 20 5 DCBDMN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCN(C[C@@H]2CCOC2)CC1 ZINC000548747379 288172841 /nfs/dbraw/zinc/17/28/41/288172841.db2.gz FEPUNASFHOBVGC-JTQLQIEISA-N 0 1 309.326 0.112 20 5 DCBDMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCC[NH2+]C1 ZINC000157643246 280354064 /nfs/dbraw/zinc/35/40/64/280354064.db2.gz OGNKZHMZFMKCJA-QMMMGPOBSA-N 0 1 303.315 0.764 20 5 DCBDMN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCNC[C@@H]1c1ccccc1 ZINC000570082112 332709257 /nfs/dbraw/zinc/70/92/57/332709257.db2.gz QFFFAZAUHICJNR-GFCCVEGCSA-N 0 1 316.321 0.359 20 5 DCBDMN CNc1ccc(C(=O)N2CCc3[nH]nnc3C2)cc1[N+](=O)[O-] ZINC000396853078 337242385 /nfs/dbraw/zinc/24/23/85/337242385.db2.gz NGKGRBRQBIRCMK-UHFFFAOYSA-N 0 1 302.294 0.953 20 5 DCBDMN C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(=O)[O-] ZINC001610119081 1159833168 /nfs/dbraw/zinc/83/31/68/1159833168.db2.gz QFWAPKVSEUICFL-UHFFFAOYSA-N 0 1 315.713 0.994 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[C@](CO)(COC)C2)c1[N+](=O)[O-] ZINC001569205273 1160978856 /nfs/dbraw/zinc/97/88/56/1160978856.db2.gz KFHYHZYUHFWSEO-ZDUSSCGKSA-N 0 1 312.326 0.351 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2C(=O)NC2CC2)c1[N+](=O)[O-] ZINC000188203420 523665987 /nfs/dbraw/zinc/66/59/87/523665987.db2.gz XMWJIHNMFAYQNB-JTQLQIEISA-N 0 1 321.337 0.764 20 5 DCBDMN Cc1cccc(C[C@H](CO)NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000191122355 524469282 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0.910 20 5 DCBDMN Cc1noc(C)c1C(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001000869214 665946036 /nfs/dbraw/zinc/94/60/36/665946036.db2.gz MFUPUCXOHSXLGT-GHMZBOCLSA-N 0 1 322.321 0.145 20 5 DCBDMN O=C(NC1CN(C(=O)C2CC3(CCC3)C2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991288579 663952072 /nfs/dbraw/zinc/95/20/72/663952072.db2.gz RNHNBIZZWXERJK-VXGBXAGGSA-N 0 1 307.350 0.559 20 5 DCBDMN Cc1cccc(CC(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000991293586 663960761 /nfs/dbraw/zinc/96/07/61/663960761.db2.gz PGVLYACLZCEKQF-ZIAGYGMSSA-N 0 1 317.345 0.530 20 5 DCBDMN CC(C)c1oncc1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991294186 663961588 /nfs/dbraw/zinc/96/15/88/663961588.db2.gz UGWQLYDAZRQHCG-MWLCHTKSSA-N 0 1 322.321 0.404 20 5 DCBDMN CCCCc1nc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)no1 ZINC001030291597 664503645 /nfs/dbraw/zinc/50/36/45/664503645.db2.gz BYZYHQOYIMKRTR-GHMZBOCLSA-N 0 1 323.353 0.378 20 5 DCBDMN O=C(NC1CN(Cc2cc(CO)ccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292907 664504883 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DCBDMN CCc1occc1C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001806619 666100438 /nfs/dbraw/zinc/10/04/38/666100438.db2.gz LOPUKFVRKUOCEN-VXGBXAGGSA-N 0 1 321.333 0.695 20 5 DCBDMN CCc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001001799585 666103817 /nfs/dbraw/zinc/10/38/17/666103817.db2.gz PLOVNAKBWRWDGT-VXGBXAGGSA-N 0 1 321.333 0.695 20 5 DCBDMN Cn1cccc1C(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000944339441 666420150 /nfs/dbraw/zinc/42/01/50/666420150.db2.gz GWDYVGSUDCSISM-DGCLKSJQSA-N 0 1 320.349 0.411 20 5 DCBDMN CC(C)(C)OC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])COC1 ZINC000862301918 667037351 /nfs/dbraw/zinc/03/73/51/667037351.db2.gz SSTMSUKXGYNITB-RKDXNWHRSA-N 0 1 315.326 0.062 20 5 DCBDMN C[C@H]1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000997145341 667166724 /nfs/dbraw/zinc/16/67/24/667166724.db2.gz GTIZUPAIFYSVHW-FPQZTECRSA-N 0 1 309.366 0.805 20 5 DCBDMN O=C(NCC1CCN(C(=O)C(F)F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000948603131 667331372 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C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)N1CCN(C)CC1 ZINC000184404004 396294317 /nfs/dbraw/zinc/29/43/17/396294317.db2.gz PIGFAVPXPCDZIT-LLVKDONJSA-N 0 1 321.381 0.543 20 5 DCBDMN CCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H]1CC(=O)N(C)C1=O ZINC000283687595 396343716 /nfs/dbraw/zinc/34/37/16/396343716.db2.gz WRYRYPSZCBKNHY-QMMMGPOBSA-N 0 1 323.309 0.236 20 5 DCBDMN CS(=O)(=O)CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269170712 396391586 /nfs/dbraw/zinc/39/15/86/396391586.db2.gz HJMSYKAVDJSEKK-UHFFFAOYSA-N 0 1 302.308 0.465 20 5 DCBDMN CCS(=O)(=O)C[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269312053 396406718 /nfs/dbraw/zinc/40/67/18/396406718.db2.gz ZCJYCGUGXXOYSB-QMMMGPOBSA-N 0 1 316.335 0.853 20 5 DCBDMN CCN1CCCC[C@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269677049 396435333 /nfs/dbraw/zinc/43/53/33/396435333.db2.gz HJDJNQSXUQSHPP-LBPRGKRZSA-N 0 1 322.365 0.747 20 5 DCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCc1nnc(C2CC2)[nH]1 ZINC000594777240 396512553 /nfs/dbraw/zinc/51/25/53/396512553.db2.gz PNANQZLXADFEGK-UHFFFAOYSA-N 0 1 324.322 0.464 20 5 DCBDMN CCc1[nH]nc(C(=O)N(CC)CCS(C)(=O)=O)c1[N+](=O)[O-] ZINC000269882448 396453499 /nfs/dbraw/zinc/45/34/99/396453499.db2.gz SNHRQAOMPJQOHO-UHFFFAOYSA-N 0 1 318.355 0.387 20 5 DCBDMN O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373110613 396567439 /nfs/dbraw/zinc/56/74/39/396567439.db2.gz IWWKJUDCJJJXFA-MNOVXSKESA-N 0 1 322.321 0.288 20 5 DCBDMN O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373110613 396567442 /nfs/dbraw/zinc/56/74/42/396567442.db2.gz IWWKJUDCJJJXFA-MNOVXSKESA-N 0 1 322.321 0.288 20 5 DCBDMN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1n[nH]c(=O)o1 ZINC000595545970 396628864 /nfs/dbraw/zinc/62/88/64/396628864.db2.gz CBDLZZQDBYZOQT-UHFFFAOYSA-N 0 1 321.293 0.778 20 5 DCBDMN O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000295527290 396699303 /nfs/dbraw/zinc/69/93/03/396699303.db2.gz RAEQIRBHHHFTCS-LBPRGKRZSA-N 0 1 323.349 0.877 20 5 DCBDMN C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000563118623 396705907 /nfs/dbraw/zinc/70/59/07/396705907.db2.gz LBEXZIFQLIREPQ-NXEZZACHSA-N 0 1 314.367 0.656 20 5 DCBDMN C[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)N1CCN(C)CC1 ZINC000596104784 396717449 /nfs/dbraw/zinc/71/74/49/396717449.db2.gz NGBVUZPHCCBQHK-NSHDSACASA-N 0 1 321.381 0.742 20 5 DCBDMN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(N2CCOCC2)CC1 ZINC000600104967 396737364 /nfs/dbraw/zinc/73/73/64/396737364.db2.gz DPZCIEPBPKABQR-UHFFFAOYSA-N 0 1 308.338 0.860 20 5 DCBDMN COC(=O)CCSCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000611206241 396833534 /nfs/dbraw/zinc/83/35/34/396833534.db2.gz CZQMYBNFSHGNML-UHFFFAOYSA-N 0 1 302.312 0.344 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000376206477 396894697 /nfs/dbraw/zinc/89/46/97/396894697.db2.gz YVMJGIQPWKZQAG-MNOVXSKESA-N 0 1 324.337 0.900 20 5 DCBDMN CCn1nncc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600746416 396935257 /nfs/dbraw/zinc/93/52/57/396935257.db2.gz STIMHVWBHVFRAP-ZDUSSCGKSA-N 0 1 321.337 0.736 20 5 DCBDMN COc1cccc(C(=O)NCCN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000600808141 396945819 /nfs/dbraw/zinc/94/58/19/396945819.db2.gz JQZADMLAZBWYBL-JTQLQIEISA-N 0 1 309.322 0.400 20 5 DCBDMN CCCc1[nH]nc(C(=O)N(C)C[C@H]2COCCO2)c1[N+](=O)[O-] ZINC000598178811 397184894 /nfs/dbraw/zinc/18/48/94/397184894.db2.gz BRSBNFZSQBVQMY-VIFPVBQESA-N 0 1 312.326 0.758 20 5 DCBDMN Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000378196150 397210256 /nfs/dbraw/zinc/21/02/56/397210256.db2.gz ILSCZGHEHPYKOQ-QJPTWQEYSA-N 0 1 306.322 0.649 20 5 DCBDMN CN(Cc1cnc[nH]1)c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598634292 397265650 /nfs/dbraw/zinc/26/56/50/397265650.db2.gz QIUYHXFZDGTRJO-UHFFFAOYSA-N 0 1 319.325 0.581 20 5 DCBDMN C[C@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1 ZINC000598665445 397271430 /nfs/dbraw/zinc/27/14/30/397271430.db2.gz WCIAYYYXXBSUGK-JTQLQIEISA-N 0 1 321.337 0.537 20 5 DCBDMN C[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N(C)C ZINC000602057222 397291491 /nfs/dbraw/zinc/29/14/91/397291491.db2.gz FXCNYQSWNZATLS-LLVKDONJSA-N 0 1 307.354 0.589 20 5 DCBDMN Cc1cc(N2CCN(Cc3nnc[nH]3)CC2)ncc1[N+](=O)[O-] ZINC000593509717 397378278 /nfs/dbraw/zinc/37/82/78/397378278.db2.gz YSTVGCKXVZBBLL-UHFFFAOYSA-N 0 1 303.326 0.739 20 5 DCBDMN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1COCCN1 ZINC000599941770 397548536 /nfs/dbraw/zinc/54/85/36/397548536.db2.gz UKOOSPIWTLZDFQ-CYBMUJFWSA-N 0 1 322.365 0.767 20 5 DCBDMN CN1CCN(C(=O)CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594493002 397563846 /nfs/dbraw/zinc/56/38/46/397563846.db2.gz BSQAKRACLHQBAE-CQSZACIVSA-N 0 1 318.377 0.946 20 5 DCBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)N(C)C ZINC000077498411 158068127 /nfs/dbraw/zinc/06/81/27/158068127.db2.gz MFVQQISMXSGCEG-SSDOTTSWSA-N 0 1 305.294 0.678 20 5 DCBDMN C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000268248067 415180885 /nfs/dbraw/zinc/18/08/85/415180885.db2.gz WKMVYUJICMHWPW-PRHODGIISA-N 0 1 306.322 0.908 20 5 DCBDMN C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000268248067 415180893 /nfs/dbraw/zinc/18/08/93/415180893.db2.gz WKMVYUJICMHWPW-PRHODGIISA-N 0 1 306.322 0.908 20 5 DCBDMN CC(C)CN1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290515363 415815543 /nfs/dbraw/zinc/81/55/43/415815543.db2.gz MDVOYZWPTHRVKO-UHFFFAOYSA-N 0 1 307.354 0.867 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](CO)OC[C@H]2C)c1[N+](=O)[O-] ZINC000344236024 415872149 /nfs/dbraw/zinc/87/21/49/415872149.db2.gz XYLLKUFPECJKIC-BDAKNGLRSA-N 0 1 312.326 0.663 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c1[N+](=O)[O-] ZINC000337111582 415911063 /nfs/dbraw/zinc/91/10/63/415911063.db2.gz DUDLGBIXXGOCBM-RKDXNWHRSA-N 0 1 321.337 0.792 20 5 DCBDMN O=C(CNc1ccccc1[N+](=O)[O-])NCCN1CCC(O)CC1 ZINC000296933526 415939752 /nfs/dbraw/zinc/93/97/52/415939752.db2.gz MLWDAXXIGHYZFO-UHFFFAOYSA-N 0 1 322.365 0.580 20 5 DCBDMN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 ZINC000356643379 415967834 /nfs/dbraw/zinc/96/78/34/415967834.db2.gz LGLVSHHPWSALLP-GARJFASQSA-N 0 1 321.337 0.695 20 5 DCBDMN CN1CCO[C@@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000153134719 415977739 /nfs/dbraw/zinc/97/77/39/415977739.db2.gz CQZYWBGZKMRVMH-QWHCGFSZSA-N 0 1 306.322 0.213 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](NC(=O)NC)C2)c1[N+](=O)[O-] ZINC000345492731 416103225 /nfs/dbraw/zinc/10/32/25/416103225.db2.gz MEXBZKSSNVJCIM-ZETCQYMHSA-N 0 1 310.314 0.024 20 5 DCBDMN CNC(=O)Cn1nc(Nc2nccc(C)c2[N+](=O)[O-])cc1C ZINC000348128385 416231617 /nfs/dbraw/zinc/23/16/17/416231617.db2.gz ZBGUUKLSHXKZKT-UHFFFAOYSA-N 0 1 304.310 1.293 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCNC[C@@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000261915194 416335845 /nfs/dbraw/zinc/33/58/45/416335845.db2.gz IAONFTKLUSFWGE-LLVKDONJSA-N 0 1 316.321 0.808 20 5 DCBDMN NC(=O)[C@H]1CCCN1CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264571238 416339279 /nfs/dbraw/zinc/33/92/79/416339279.db2.gz SIIVQHDUKVXGRS-CYBMUJFWSA-N 0 1 320.349 0.664 20 5 DCBDMN CCn1cc(S(=O)(=O)N2CCN[C@@H](C)[C@H]2C)c([N+](=O)[O-])n1 ZINC000440806540 416649792 /nfs/dbraw/zinc/64/97/92/416649792.db2.gz HXYZNSFWVOBFKP-DTWKUNHWSA-N 0 1 317.371 0.182 20 5 DCBDMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000565433089 416977712 /nfs/dbraw/zinc/97/77/12/416977712.db2.gz ISJVVGVKFJTXMU-SNVBAGLBSA-N 0 1 323.353 0.643 20 5 DCBDMN NCC(=O)NCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000522002954 417041659 /nfs/dbraw/zinc/04/16/59/417041659.db2.gz DBVBPQAOFDCBLG-UHFFFAOYSA-N 0 1 306.322 0.161 20 5 DCBDMN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC000433091535 417228282 /nfs/dbraw/zinc/22/82/82/417228282.db2.gz OEFBGXRVAKPWNR-UHFFFAOYSA-N 0 1 314.265 0.761 20 5 DCBDMN CO[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000451754524 417393903 /nfs/dbraw/zinc/39/39/03/417393903.db2.gz CEFNWXGKGXMCNQ-MPKXVKKWSA-N 0 1 312.322 0.026 20 5 DCBDMN O=C1CO[C@H]2CCN(Cc3cc(O)ccc3[N+](=O)[O-])C[C@@H]2N1 ZINC000453589677 417524740 /nfs/dbraw/zinc/52/47/40/417524740.db2.gz WGHLCXGZKYJXBR-AAEUAGOBSA-N 0 1 307.306 0.390 20 5 DCBDMN CNc1nccc(C(=O)NCCN2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000577744631 417680036 /nfs/dbraw/zinc/68/00/36/417680036.db2.gz RQSUQYQFWPVHNJ-UHFFFAOYSA-N 0 1 319.365 1.413 20 5 DCBDMN COCCCN(CCOC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000299492703 229151756 /nfs/dbraw/zinc/15/17/56/229151756.db2.gz AFBMTBIPUBZIIK-UHFFFAOYSA-N 0 1 300.315 0.751 20 5 DCBDMN CC(C)C[C@@H]1COCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304315450 261173330 /nfs/dbraw/zinc/17/33/30/261173330.db2.gz ODAWVJVYDRJNBS-TZMCWYRMSA-N 0 1 312.370 0.899 20 5 DCBDMN C[C@@H]1CC(=O)NCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000371049809 262156270 /nfs/dbraw/zinc/15/62/70/262156270.db2.gz RLAPGTSQKAISQY-MRVPVSSYSA-N 0 1 317.305 0.822 20 5 DCBDMN C[C@@H]1CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CCN1 ZINC000418871369 262294378 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CS(=O)(=O)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000840375988 671100808 /nfs/dbraw/zinc/10/08/08/671100808.db2.gz AWJNABKWTVQQMG-GRYCIOLGSA-N 0 1 312.347 0.554 20 5 DCBDMN COC(=O)[C@@]1(OC)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000859558938 671125912 /nfs/dbraw/zinc/12/59/12/671125912.db2.gz OBUZUJCZFJMLCQ-DZGCQCFKSA-N 0 1 324.333 0.892 20 5 DCBDMN COC(=O)[C@@H]1OCC[C@@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852414146 671127201 /nfs/dbraw/zinc/12/72/01/671127201.db2.gz JGBGEGHDYRRJLN-RWMBFGLXSA-N 0 1 310.306 0.548 20 5 DCBDMN CNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C ZINC000840395838 671137010 /nfs/dbraw/zinc/13/70/10/671137010.db2.gz JSUNFXVQGNCCCF-PSASIEDQSA-N 0 1 313.335 0.507 20 5 DCBDMN CN1C(=O)CN(CC(=O)OCc2cc(O)ccc2[N+](=O)[O-])C1=O ZINC000860307396 671197661 /nfs/dbraw/zinc/19/76/61/671197661.db2.gz SKNAPTZUFRIQFY-UHFFFAOYSA-N 0 1 323.261 0.238 20 5 DCBDMN CC(=O)N[C@@H]1c2ccccc2C[C@@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000821458179 671280077 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HGSYPASLNGDDFE-YVECIDJPSA-N 0 1 307.350 0.654 20 5 DCBDMN C/C(=C/C(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC000954235469 685976046 /nfs/dbraw/zinc/97/60/46/685976046.db2.gz XEIZVHRSQMJIIG-CKIUVGDASA-N 0 1 307.350 0.677 20 5 DCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C2(CF)CCC2)C1 ZINC000954243122 685977836 /nfs/dbraw/zinc/97/78/36/685977836.db2.gz KJRKBZDWJMNQFT-GHMZBOCLSA-N 0 1 313.329 0.461 20 5 DCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C2CC3(CC3)C2)C1 ZINC000954243125 685977908 /nfs/dbraw/zinc/97/79/08/685977908.db2.gz KMACLEWFKYHIRC-VXGBXAGGSA-N 0 1 307.350 0.511 20 5 DCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CN(C(=O)C3CCC3)C[C@H]2C1 ZINC000959779000 688210787 /nfs/dbraw/zinc/21/07/87/688210787.db2.gz PNJOFPFGPARYLG-YVECIDJPSA-N 0 1 307.350 0.369 20 5 DCBDMN CC(=O)NCc1cccc2c1CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000964373554 689230997 /nfs/dbraw/zinc/23/09/97/689230997.db2.gz ZGYJVYYNRRAITC-HUUCEWRRSA-N 0 1 317.345 0.873 20 5 DCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CC(C)(F)F)C1 ZINC000967948137 690134208 /nfs/dbraw/zinc/13/42/08/690134208.db2.gz CLVNGGYBQXZLHR-NXEZZACHSA-N 0 1 319.308 0.756 20 5 DCBDMN O=C(C(F)F)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000969001717 690448852 /nfs/dbraw/zinc/44/88/52/690448852.db2.gz SZAXDPWONOOFHL-BZNPZCIMSA-N 0 1 303.265 0.119 20 5 DCBDMN O=C(c1cocn1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000969001786 690448891 /nfs/dbraw/zinc/44/88/91/690448891.db2.gz XEQHFWRCJJZCIB-DTHBNOIPSA-N 0 1 320.305 0.155 20 5 DCBDMN Cc1ccoc1C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001010355381 691235842 /nfs/dbraw/zinc/23/58/42/691235842.db2.gz WNAKCOSUHKLYIX-GHMZBOCLSA-N 0 1 307.306 0.538 20 5 DCBDMN O=C(/C=C/C1CC1)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001018898890 693277998 /nfs/dbraw/zinc/27/79/98/693277998.db2.gz FRMCZDCDSQHXKN-CDJBXZAQSA-N 0 1 319.361 0.679 20 5 DCBDMN O=C(C1=CCCC1)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001018936510 693288632 /nfs/dbraw/zinc/28/86/32/693288632.db2.gz PEMMRBVDCGJASK-CHWSQXEVSA-N 0 1 319.361 0.823 20 5 DCBDMN Cc1nonc1CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072721194 694656834 /nfs/dbraw/zinc/65/68/34/694656834.db2.gz IFMPXTAHLUKTQZ-ZYHUDNBSSA-N 0 1 321.337 0.078 20 5 DCBDMN O=C(Cc1cccnc1)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001747173937 1157840518 /nfs/dbraw/zinc/84/05/18/1157840518.db2.gz FYTWAMZLUWGUOX-DKZVVXNFSA-N 0 1 318.333 0.078 20 5 DCBDMN Cc1ccnc(CN2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001687475609 1158645276 /nfs/dbraw/zinc/64/52/76/1158645276.db2.gz LKCOSIJSZJRLSN-VXGBXAGGSA-N 0 1 305.338 0.094 20 5 DCBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1occ2c1CCC2 ZINC001720089411 1158943984 /nfs/dbraw/zinc/94/39/84/1158943984.db2.gz RNZBALXDNGDEIQ-GHMZBOCLSA-N 0 1 307.306 0.280 20 5 DCBDMN CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC001565584999 1159886866 /nfs/dbraw/zinc/88/68/66/1159886866.db2.gz SCFUNLSCMYLRBU-GFCCVEGCSA-N 0 1 306.322 0.862 20 5 DCBDMN O=C(NCc1nc(C(F)(F)F)no1)c1n[nH]cc1[N+](=O)[O-] ZINC001567452185 1160371293 /nfs/dbraw/zinc/37/12/93/1160371293.db2.gz CQNMUYSOGNGRQA-UHFFFAOYSA-N 0 1 306.160 0.650 20 5 DCBDMN CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1ccns1 ZINC001567502297 1160398643 /nfs/dbraw/zinc/39/86/43/1160398643.db2.gz CSODRUKRDWWBQQ-UHFFFAOYSA-N 0 1 324.366 0.647 20 5 DCBDMN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCCCN2CCO)n1 ZINC001569435475 1161059440 /nfs/dbraw/zinc/05/94/40/1161059440.db2.gz JWVDKWVLTSSTPQ-LBPRGKRZSA-N 0 1 322.365 0.875 20 5 DCBDMN Cc1cccc(C(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001580623079 1165662595 /nfs/dbraw/zinc/66/25/95/1165662595.db2.gz YLYVYOFEGLLERT-CHWSQXEVSA-N 0 1 305.334 0.848 20 5 DCBDMN CCc1ocnc1C(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001580698784 1165690767 /nfs/dbraw/zinc/69/07/67/1165690767.db2.gz QCIBRKJYXIKIJG-RKDXNWHRSA-N 0 1 310.310 0.090 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cncc(C)c1 ZINC001581082714 1165784970 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0.719 20 5 DCBDMN C[C@@H](CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)[NH+](C)C ZINC001589876621 1166706115 /nfs/dbraw/zinc/70/61/15/1166706115.db2.gz HQJLVCIZVIQWNH-ZETCQYMHSA-N 0 1 306.330 0.719 20 5 DCBDMN C[C@@H]1COC[C@@H]1NCc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590322962 1166866025 /nfs/dbraw/zinc/86/60/25/1166866025.db2.gz DWOWTPXQZHAPJO-KCJUWKMLSA-N 0 1 304.310 0.899 20 5 DCBDMN CCC[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[NH2+]1 ZINC001590568273 1166943699 /nfs/dbraw/zinc/94/36/99/1166943699.db2.gz AVHZEAAHJYLSRH-VIFPVBQESA-N 0 1 318.341 0.748 20 5 DCBDMN CCC[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC[NH2+]1 ZINC001590568273 1166943706 /nfs/dbraw/zinc/94/37/06/1166943706.db2.gz AVHZEAAHJYLSRH-VIFPVBQESA-N 0 1 318.341 0.748 20 5 DCBDMN NC(=O)c1cccc(Cn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)c1 ZINC001592736858 1167622784 /nfs/dbraw/zinc/62/27/84/1167622784.db2.gz QMCUTVABSKKCIO-UHFFFAOYSA-N 0 1 314.265 0.119 20 5 DCBDMN O=C(N[C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC001593005918 1167685784 /nfs/dbraw/zinc/68/57/84/1167685784.db2.gz SMFDGVDDFRFEHR-QJPTWQEYSA-N 0 1 314.305 0.115 20 5 DCBDMN O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NCCc1nc[nH]n1 ZINC001593483404 1167865800 /nfs/dbraw/zinc/86/58/00/1167865800.db2.gz PKARCCXVYNNXBR-UHFFFAOYSA-N 0 1 301.270 0.548 20 5 DCBDMN CSCc1n[nH]c(CNC(=O)c2nn(C)cc2[N+](=O)[O-])n1 ZINC001598037796 1168015662 /nfs/dbraw/zinc/01/56/62/1168015662.db2.gz STFKUBOJOXYSRM-UHFFFAOYSA-N 0 1 311.327 0.239 20 5 DCBDMN CSCc1nnc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])[nH]1 ZINC001598037796 1168015666 /nfs/dbraw/zinc/01/56/66/1168015666.db2.gz STFKUBOJOXYSRM-UHFFFAOYSA-N 0 1 311.327 0.239 20 5 DCBDMN O=C([O-])[C@H]1[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001601317216 1168705327 /nfs/dbraw/zinc/70/53/27/1168705327.db2.gz BASZCBUIBQAXQO-WOFXILAISA-N 0 1 305.290 0.796 20 5 DCBDMN O=C([O-])[C@H]1[C@@H]2C[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001601317216 1168705333 /nfs/dbraw/zinc/70/53/33/1168705333.db2.gz BASZCBUIBQAXQO-WOFXILAISA-N 0 1 305.290 0.796 20 5 DCBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)c1 ZINC001602403185 1169074290 /nfs/dbraw/zinc/07/42/90/1169074290.db2.gz AAXKCJRSWJKTMY-SMDDNHRTSA-N 0 1 324.333 0.858 20 5 DCBDMN Cc1cnc([C@@H](C)n2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)cn1 ZINC001605975847 1170041091 /nfs/dbraw/zinc/04/10/91/1170041091.db2.gz MWUUMFZZZHPDBY-SSDOTTSWSA-N 0 1 301.270 0.679 20 5 DCBDMN NC(=O)C1(O)CC[NH+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001608229567 1170620979 /nfs/dbraw/zinc/62/09/79/1170620979.db2.gz LSYHCLLPGXFCSH-UHFFFAOYSA-N 0 1 323.305 0.105 20 5 DCBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](CO)[C@H](CCO)C2)c1 ZINC001608914348 1170771974 /nfs/dbraw/zinc/77/19/74/1170771974.db2.gz MJUFPBMFFVXANC-YPMHNXCESA-N 0 1 324.333 0.716 20 5 DCBDMN O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1CN1C[C@H](O)C2(CC2)C1 ZINC001609602346 1171038997 /nfs/dbraw/zinc/03/89/97/1171038997.db2.gz KBAZDXRDQLBEGY-LBPRGKRZSA-N 0 1 316.321 0.732 20 5 DCBDMN O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](c2nnn[n-]2)C1 ZINC001620535863 1171403775 /nfs/dbraw/zinc/40/37/75/1171403775.db2.gz DEFXBRVVIYCTMO-JTQLQIEISA-N 0 1 304.310 0.976 20 5 DCBDMN O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](c2nnn[n-]2)C1 ZINC001620535863 1171403778 /nfs/dbraw/zinc/40/37/78/1171403778.db2.gz DEFXBRVVIYCTMO-JTQLQIEISA-N 0 1 304.310 0.976 20 5 DCBDMN O=[N+]([O-])c1ccccc1OCCN1CC[C@H](c2nn[nH]n2)C1 ZINC001620535863 1171403781 /nfs/dbraw/zinc/40/37/81/1171403781.db2.gz DEFXBRVVIYCTMO-JTQLQIEISA-N 0 1 304.310 0.976 20 5 DCBDMN O=[N+]([O-])c1cnn(CCN2CC[C@@H](Nc3ncccn3)C2)c1 ZINC001620647717 1171405660 /nfs/dbraw/zinc/40/56/60/1171405660.db2.gz BVOXYJSKCFZTAO-LLVKDONJSA-N 0 1 303.326 0.768 20 5 DCBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1C[C@H](CO)[C@H](CO)C1 ZINC001636129358 1171727059 /nfs/dbraw/zinc/72/70/59/1171727059.db2.gz HZPGLCRUXXLNAJ-DTORHVGOSA-N 0 1 320.305 0.144 20 5 DCBDMN CCN1CC[C@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC001636658122 1171746277 /nfs/dbraw/zinc/74/62/77/1171746277.db2.gz XRXDGAYKBOPQTI-LBPRGKRZSA-N 0 1 321.333 0.997 20 5 DCBDMN CCc1[nH]nc(C(=O)N2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC001640559208 1171885162 /nfs/dbraw/zinc/88/51/62/1171885162.db2.gz GGPZCDJVOJUSAF-BIIVOSGPSA-N 0 1 309.326 0.618 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](O)C[C@]2(C)CO)c1[N+](=O)[O-] ZINC001641839222 1171928697 /nfs/dbraw/zinc/92/86/97/1171928697.db2.gz BKHGDDSIBHROLS-AMIZOPFISA-N 0 1 312.326 0.399 20 5 DCBDMN COC(=O)c1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])n(C)c1C ZINC001643572007 1171979270 /nfs/dbraw/zinc/97/92/70/1171979270.db2.gz JTHJYMIELOQYPD-UHFFFAOYSA-N 0 1 321.293 0.681 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCC([C@@H](F)C(N)=O)CC2)c1[N+](=O)[O-] ZINC001648206711 1173069618 /nfs/dbraw/zinc/06/96/18/1173069618.db2.gz SSYZBUKMCIEQPA-MRVPVSSYSA-N 0 1 313.289 0.302 20 5 DCBDMN CS(=O)(=O)Cc1nc(CNc2ccsc2[N+](=O)[O-])n[nH]1 ZINC001651460153 1173749007 /nfs/dbraw/zinc/74/90/07/1173749007.db2.gz GZTNCJLTJOWRGA-UHFFFAOYSA-N 0 1 317.352 0.931 20 5 DCBDMN Cn1cc([N+](=O)[O-])c(N2CC(c3[nH]nc4c3COCC4)C2)n1 ZINC001651518775 1173750736 /nfs/dbraw/zinc/75/07/36/1173750736.db2.gz XIWQFNFWYFKUIX-UHFFFAOYSA-N 0 1 304.310 0.728 20 5 DCBDMN Cc1n[nH]cc1CN[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001663214648 1174276062 /nfs/dbraw/zinc/27/60/62/1174276062.db2.gz CRISDJICZCVQLA-ZIAGYGMSSA-N 0 1 306.322 0.810 20 5 DCBDMN COC(=O)[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(C)C ZINC001666307331 1174598651 /nfs/dbraw/zinc/59/86/51/1174598651.db2.gz JPHLRKUJPVZALG-SECBINFHSA-N 0 1 317.323 0.466 20 5 DCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@]23C[C@H]2CCC3)n1 ZINC001671721373 1175032631 /nfs/dbraw/zinc/03/26/31/1175032631.db2.gz ADOCAGCSJKZJKO-KCJUWKMLSA-N 0 1 300.340 0.797 20 5 DCBDMN CCn1cc(CN(C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001673434466 1175201397 /nfs/dbraw/zinc/20/13/97/1175201397.db2.gz NUZAYYCVNVEXEG-CHWSQXEVSA-N 0 1 324.385 0.244 20 5 DCBDMN Cc1cncc([N+](=O)[O-])c1NC(=O)NCCN1CCC(O)CC1 ZINC001676089023 1175419680 /nfs/dbraw/zinc/41/96/80/1175419680.db2.gz MACQRUWHEXKWNS-UHFFFAOYSA-N 0 1 323.353 0.298 20 5 DCBDMN CCCc1[nH]ccc1C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001687004022 1176264128 /nfs/dbraw/zinc/26/41/28/1176264128.db2.gz VSWPTHDGMAHKSA-DGCLKSJQSA-N 0 1 322.365 0.869 20 5 DCBDMN CCN(CCCNC(=O)c1ncc[nH]1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001687709322 1176282686 /nfs/dbraw/zinc/28/26/86/1176282686.db2.gz RJJMWSPMEMHKHF-NXEZZACHSA-N 0 1 309.326 0.043 20 5 DCBDMN CSCC(=O)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001687824977 1176292444 /nfs/dbraw/zinc/29/24/44/1176292444.db2.gz NYYSPOQLHBPUHM-GHMZBOCLSA-N 0 1 315.395 0.512 20 5 DCBDMN COc1ccc(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001688325451 1176453607 /nfs/dbraw/zinc/45/36/07/1176453607.db2.gz CGPLUUVHWYKYFE-CHWSQXEVSA-N 0 1 321.333 0.549 20 5 DCBDMN Cc1ccccc1CC(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001688326305 1176453897 /nfs/dbraw/zinc/45/38/97/1176453897.db2.gz JRNBTAIDTXKJRQ-ZIAGYGMSSA-N 0 1 319.361 0.777 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)/C=C\c1ccco1 ZINC001688397818 1176482137 /nfs/dbraw/zinc/48/21/37/1176482137.db2.gz LZPJZITUSWUJFI-NTQVKLLNSA-N 0 1 321.333 0.923 20 5 DCBDMN Cc1[nH]nc(C(=O)NCC=CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC001689274470 1176783954 /nfs/dbraw/zinc/78/39/54/1176783954.db2.gz BYWPCOKGFAFWNH-ANDSXOESSA-N 0 1 321.337 0.094 20 5 DCBDMN CC(=O)NCCN(CCc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001702066189 1179173740 /nfs/dbraw/zinc/17/37/40/1179173740.db2.gz NVDBRCPBSBZTHU-HUUCEWRRSA-N 0 1 319.361 0.859 20 5 DCBDMN CC(C)Cn1nccc1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001703177931 1179374690 /nfs/dbraw/zinc/37/46/90/1179374690.db2.gz IYVLSGOEHVNNFD-ZYHUDNBSSA-N 0 1 323.353 0.050 20 5 DCBDMN CCn1ccc(C(=O)N(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001703577945 1179602454 /nfs/dbraw/zinc/60/24/54/1179602454.db2.gz GAFKSTNHGXKZKY-ZYHUDNBSSA-N 0 1 323.353 0.147 20 5 DCBDMN Cc1c[nH]cc1C(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001705035249 1180236599 /nfs/dbraw/zinc/23/65/99/1180236599.db2.gz OUNIBRSEYPSAJX-IRSQKABVSA-N 0 1 306.322 0.391 20 5 DCBDMN CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)Cc1ccon1 ZINC001714693490 1181485857 /nfs/dbraw/zinc/48/58/57/1181485857.db2.gz ZIOFEJDRYYKHAC-UHFFFAOYSA-N 0 1 322.325 0.107 20 5 DCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CC1CC(F)(F)C1 ZINC001721079254 1183821078 /nfs/dbraw/zinc/82/10/78/1183821078.db2.gz MTGKQOWYAYEZOX-NXEZZACHSA-N 0 1 319.308 0.662 20 5 DCBDMN Cc1cc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ccn1 ZINC001722069282 1184163001 /nfs/dbraw/zinc/16/30/01/1184163001.db2.gz YXFPHUXCHPYHIB-VXGBXAGGSA-N 0 1 318.333 0.434 20 5 DCBDMN CN(CCNCc1csc([N+](=O)[O-])c1)C(=O)c1cn(C)nn1 ZINC001731909170 1185565930 /nfs/dbraw/zinc/56/59/30/1185565930.db2.gz KHOHCAHVLRTSOG-UHFFFAOYSA-N 0 1 324.366 0.647 20 5 DCBDMN Cc1ccoc1C(=O)N(C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737132263 1187258335 /nfs/dbraw/zinc/25/83/35/1187258335.db2.gz JDYCVEIIBSQGBP-GHMZBOCLSA-N 0 1 309.322 0.832 20 5 DCBDMN CN(CCNC(=O)c1ccccc1O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737709468 1187388992 /nfs/dbraw/zinc/38/89/92/1187388992.db2.gz HKFMPALTLFPNKK-GHMZBOCLSA-N 0 1 307.306 0.246 20 5 DCBDMN CN(CCOCCNC(=O)C1CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001738647091 1187614086 /nfs/dbraw/zinc/61/40/86/1187614086.db2.gz QOYJFPNGUAOANT-VXGBXAGGSA-N 0 1 313.354 0.043 20 5 DCBDMN COCC1(CNC(C)=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001739300304 1187775783 /nfs/dbraw/zinc/77/57/83/1187775783.db2.gz NPGALIBXEAFDEX-VXGBXAGGSA-N 0 1 313.354 0.043 20 5 DCBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1nc(Cl)cs1 ZINC001742404235 1187976353 /nfs/dbraw/zinc/97/63/53/1187976353.db2.gz IKAVTZRISNGRDO-PHDIDXHHSA-N 0 1 318.742 0.308 20 5 DCBDMN Cc1ccc(CC(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001747773351 1188290627 /nfs/dbraw/zinc/29/06/27/1188290627.db2.gz XCIVGJLDBGCEBJ-VXGBXAGGSA-N 0 1 321.333 0.561 20 5 DCBDMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccncc1 ZINC001759059011 1190080497 /nfs/dbraw/zinc/08/04/97/1190080497.db2.gz BHPWXADAXKNBCI-CHWSQXEVSA-N 0 1 320.349 0.715 20 5 DCBDMN Cc1cnccc1C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001759696204 1190272045 /nfs/dbraw/zinc/27/20/45/1190272045.db2.gz HCQXMBCZAVKKII-XCUNLHGCSA-N 0 1 318.333 0.457 20 5 DCBDMN O=C(NC/C=C\CNC(=O)C1(CF)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001759699684 1190273968 /nfs/dbraw/zinc/27/39/68/1190273968.db2.gz URSGMUJXUOHGNT-JLVKAVFRSA-N 0 1 313.329 0.580 20 5 DCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cscn1 ZINC001759888409 1190331368 /nfs/dbraw/zinc/33/13/68/1190331368.db2.gz MVSATGGTPAIAAH-VXNVDRBHSA-N 0 1 310.335 0.187 20 5 DCBDMN Cc1coc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001759913401 1190336232 /nfs/dbraw/zinc/33/62/32/1190336232.db2.gz WOMHSMTVUWVFTP-NXEZZACHSA-N 0 1 307.306 0.632 20 5 DCBDMN COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCCN3C)n1 ZINC001164665047 719394198 /nfs/dbraw/zinc/39/41/98/719394198.db2.gz FKLBZXZUSYWPEQ-ZJUUUORDSA-N 0 1 309.326 0.221 20 5 DCBDMN CN1CCO[C@@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@@H]21 ZINC001164668720 719407966 /nfs/dbraw/zinc/40/79/66/719407966.db2.gz KBBVKCWAEKDOGP-VHSXEESVSA-N 0 1 314.729 0.401 20 5 DCBDMN Cc1ncc(CN)c(=N)n1-c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001167673361 747506110 /nfs/dbraw/zinc/50/61/10/747506110.db2.gz WOUQAYDJEJQRBO-UHFFFAOYSA-N 0 1 311.305 0.970 20 5 DCBDMN Cn1cccc1C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989502 755071860 /nfs/dbraw/zinc/07/18/60/755071860.db2.gz GRFGSEZGQGSUCX-ZYHUDNBSSA-N 0 1 320.349 0.459 20 5 DCBDMN Cc1nc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)co1 ZINC001062989327 755071980 /nfs/dbraw/zinc/07/19/80/755071980.db2.gz ZHMFCOIQXKCBJG-MWLCHTKSSA-N 0 1 322.321 0.417 20 5 DCBDMN CC1(CC(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)CC1 ZINC001062990794 755072698 /nfs/dbraw/zinc/07/26/98/755072698.db2.gz RLRLTGWLHFYTDF-GHMZBOCLSA-N 0 1 309.366 0.997 20 5 DCBDMN Cc1conc1C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062993066 755073471 /nfs/dbraw/zinc/07/34/71/755073471.db2.gz NTULOBKWWHOMAU-NXEZZACHSA-N 0 1 322.321 0.417 20 5 DCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1cc(F)c[nH]1 ZINC001063671942 755243970 /nfs/dbraw/zinc/24/39/70/755243970.db2.gz PUXWCNOHPHXYPR-MWLCHTKSSA-N 0 1 324.312 0.588 20 5 DCBDMN CC(F)(F)CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001064424236 755399420 /nfs/dbraw/zinc/39/94/20/755399420.db2.gz ANIKILAIDLGTPB-RKDXNWHRSA-N 0 1 319.308 0.852 20 5 DCBDMN CCN(C(=O)C(C)(C)F)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079197862 755745938 /nfs/dbraw/zinc/74/59/38/755745938.db2.gz CSADDBMGEGBPBI-NXEZZACHSA-N 0 1 301.318 0.459 20 5 DCBDMN CCN(C(=O)/C=C/C1CC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079551800 755906186 /nfs/dbraw/zinc/90/61/86/755906186.db2.gz YZRXVZSSHSWAAI-FBVTZJDUSA-N 0 1 307.350 0.677 20 5 DCBDMN Cc1cnc(N2CCN(C(=O)c3ccn[nH]3)CC2)c([N+](=O)[O-])c1 ZINC001055722273 756886754 /nfs/dbraw/zinc/88/67/54/756886754.db2.gz TYMLSEBZGXOHRB-UHFFFAOYSA-N 0 1 316.321 0.984 20 5 DCBDMN COC(=O)c1cc(C)nc(NC[C@H]2COCCN2)c1[N+](=O)[O-] ZINC001170040722 761658633 /nfs/dbraw/zinc/65/86/33/761658633.db2.gz AVHPRYBVQMRTTP-VIFPVBQESA-N 0 1 310.310 0.485 20 5 DCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccc2cncn2c1 ZINC001129554002 762960068 /nfs/dbraw/zinc/96/00/68/762960068.db2.gz NDYHZYNKMQJIJU-UHFFFAOYSA-N 0 1 300.278 0.755 20 5 DCBDMN CCCN(CCNC(=O)c1ncn[nH]1)c1ccc([N+](=O)[O-])cn1 ZINC001101170090 763998290 /nfs/dbraw/zinc/99/82/90/763998290.db2.gz NYGOJCSVFCGGGU-UHFFFAOYSA-N 0 1 319.325 0.754 20 5 DCBDMN CCCN(CCNC(=O)c1nc[nH]n1)c1ccc([N+](=O)[O-])cn1 ZINC001101170090 763998295 /nfs/dbraw/zinc/99/82/95/763998295.db2.gz NYGOJCSVFCGGGU-UHFFFAOYSA-N 0 1 319.325 0.754 20 5 DCBDMN O=C(Cc1c[nH]cn1)NCCNCc1ccccc1[N+](=O)[O-] ZINC001134406880 765507957 /nfs/dbraw/zinc/50/79/57/765507957.db2.gz GMYAWCZWOYIWDK-UHFFFAOYSA-N 0 1 303.322 0.766 20 5 DCBDMN O=C(Cc1c[nH]cn1)NCCNCc1csc([N+](=O)[O-])c1 ZINC001134406995 765508303 /nfs/dbraw/zinc/50/83/03/765508303.db2.gz 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Cc1[nH]nc(C(=O)N2CCNC[C@H]2c2nccn2C)c1[N+](=O)[O-] ZINC000261722335 416335500 /nfs/dbraw/zinc/33/55/00/416335500.db2.gz LRHMSKCXYZOPRF-VIFPVBQESA-N 0 1 319.325 0.147 20 5 DCBDMN CN(C(=O)CN1CC[C@](C)(C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000361565673 416452116 /nfs/dbraw/zinc/45/21/16/416452116.db2.gz NTWIHWLFQAIDEG-HNNXBMFYSA-N 0 1 320.349 0.755 20 5 DCBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1nnc[nH]1 ZINC000540891347 416596570 /nfs/dbraw/zinc/59/65/70/416596570.db2.gz GHEXNDSKSCOAKO-ZETCQYMHSA-N 0 1 319.277 0.975 20 5 DCBDMN Cc1ccc([C@H](N)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000423901924 416586712 /nfs/dbraw/zinc/58/67/12/416586712.db2.gz LHCTZQGTKRYHKD-ZDUSSCGKSA-N 0 1 303.322 0.916 20 5 DCBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](c3nc[nH]n3)C2)n1 ZINC000425291219 416689749 /nfs/dbraw/zinc/68/97/49/416689749.db2.gz ZIFNIZWAWRQSPT-MRVPVSSYSA-N 0 1 318.293 0.888 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCc3c(nc[nH]c3=O)C2)c1[N+](=O)[O-] ZINC000558298117 416765336 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NC(=O)c1cccc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000179162905 261111636 /nfs/dbraw/zinc/11/16/36/261111636.db2.gz YYUCYRMTOUNBHJ-UHFFFAOYSA-N 0 1 303.278 0.389 20 5 DCBDMN O=[N+]([O-])c1cnc(N2CCC(O)(CN3CCOCC3)CC2)nc1 ZINC000354581271 261239809 /nfs/dbraw/zinc/23/98/09/261239809.db2.gz RQRHHPCESOZDMJ-UHFFFAOYSA-N 0 1 323.353 0.048 20 5 DCBDMN CCOC(=O)CN(CCOC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000354631160 261248529 /nfs/dbraw/zinc/24/85/29/261248529.db2.gz YWMZKEVDJQVETK-UHFFFAOYSA-N 0 1 314.298 0.278 20 5 DCBDMN COC(=O)[C@H]1C[C@H](OC)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356097894 261391324 /nfs/dbraw/zinc/39/13/24/261391324.db2.gz VDOMGZLSEIDLHU-NWDGAFQWSA-N 0 1 324.289 0.703 20 5 DCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCOCC23CCCC3)c1 ZINC000362419566 262032817 /nfs/dbraw/zinc/03/28/17/262032817.db2.gz TVHICQFMBHPWKK-ZDUSSCGKSA-N 0 1 310.354 0.797 20 5 DCBDMN O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000363687405 262127398 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Cc1nc(N2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001600711286 1168262001 /nfs/dbraw/zinc/26/20/01/1168262001.db2.gz UYCMNLWYVQNVPJ-VIFPVBQESA-N 0 1 309.326 0.678 20 5 DCBDMN CCC[C@@H](C(=O)OCC)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001604128651 1169502251 /nfs/dbraw/zinc/50/22/51/1169502251.db2.gz XQBFCJIKZKHCBF-ZETCQYMHSA-N 0 1 309.286 0.876 20 5 DCBDMN CCCN(CCO)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001604211887 1169526485 /nfs/dbraw/zinc/52/64/85/1169526485.db2.gz SWNGOTAKVUWSQY-UHFFFAOYSA-N 0 1 306.326 0.979 20 5 DCBDMN C[C@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC001604363989 1169569654 /nfs/dbraw/zinc/56/96/54/1169569654.db2.gz JTRPVJMMNZUUFR-GXSJLCMTSA-N 0 1 323.353 0.734 20 5 DCBDMN C[N@@H+](CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC001610116163 1171161927 /nfs/dbraw/zinc/16/19/27/1171161927.db2.gz HKZQGVINIFFOEA-QPJJXVBHSA-N 0 1 307.306 0.741 20 5 DCBDMN CNC(=O)NC1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001618547041 1171399376 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Cn1nccc1[C@H](O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001646475029 1172396405 /nfs/dbraw/zinc/39/64/05/1172396405.db2.gz TZKVGSSIEWZKBR-GFCCVEGCSA-N 0 1 306.278 0.497 20 5 DCBDMN O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1c[nH]nc1[N+](=O)[O-] ZINC001647728955 1173053791 /nfs/dbraw/zinc/05/37/91/1173053791.db2.gz MFRAYLCQACLOOY-JTQLQIEISA-N 0 1 309.326 0.301 20 5 DCBDMN O=C(NC[C@@H]1CCN1C1CCOCC1)c1c[nH]nc1[N+](=O)[O-] ZINC001647728955 1173053796 /nfs/dbraw/zinc/05/37/96/1173053796.db2.gz MFRAYLCQACLOOY-JTQLQIEISA-N 0 1 309.326 0.301 20 5 DCBDMN NC(=O)C12CCC(CC1)N2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001648097470 1173066054 /nfs/dbraw/zinc/06/60/54/1173066054.db2.gz BYTFUMDRCWIXLK-UHFFFAOYSA-N 0 1 305.290 0.923 20 5 DCBDMN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCc2nc[nH]c2C12CCC2 ZINC001651215853 1173744656 /nfs/dbraw/zinc/74/46/56/1173744656.db2.gz KQMBOECURGDAEQ-UHFFFAOYSA-N 0 1 317.309 0.374 20 5 DCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2[NH+](C)C)n1 ZINC001654982380 1173813803 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0.503 20 5 DCBDMN CCN(CCNC(=O)C1C=CC=CC=C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001688403763 1176482770 /nfs/dbraw/zinc/48/27/70/1176482770.db2.gz XGRGRTBAOLIECL-ZIAGYGMSSA-N 0 1 319.361 0.915 20 5 DCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cncc(F)c1 ZINC001689582937 1176964947 /nfs/dbraw/zinc/96/49/47/1176964947.db2.gz OVQVDODOXMRQQI-GHMZBOCLSA-N 0 1 322.296 0.265 20 5 DCBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1csc(C2CC2)n1 ZINC001703174906 1179370741 /nfs/dbraw/zinc/37/07/41/1179370741.db2.gz CFFOSUCZQCEJFP-PSASIEDQSA-N 0 1 324.362 0.532 20 5 DCBDMN CCn1ncc(C(=O)NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC001703363952 1179502295 /nfs/dbraw/zinc/50/22/95/1179502295.db2.gz FCLMGPGLFQJLIH-ZYHUDNBSSA-N 0 1 323.353 0.113 20 5 DCBDMN COCCC(=O)N1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001703506180 1179567061 /nfs/dbraw/zinc/56/70/61/1179567061.db2.gz ZIVSQJICNNAYIV-VXGBXAGGSA-N 0 1 313.354 0.043 20 5 DCBDMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CC(C)(C)O ZINC001704374812 1179990841 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DCBDMN Cc1nc(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001732852934 1186015720 /nfs/dbraw/zinc/01/57/20/1186015720.db2.gz WCQVDPDKLUVSMM-JGLYPNHGSA-N 0 1 310.379 0.879 20 5 DCBDMN O=C(NCC1(NCc2noc(C3CC3)n2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001733243822 1186199534 /nfs/dbraw/zinc/19/95/34/1186199534.db2.gz USJSIDRCENTOKX-NXEZZACHSA-N 0 1 321.337 0.351 20 5 DCBDMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1ccon1 ZINC001737258549 1187298647 /nfs/dbraw/zinc/29/86/47/1187298647.db2.gz FDZYOZDHVZTXRF-VXGBXAGGSA-N 0 1 324.337 0.237 20 5 DCBDMN Cc1csc(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001737726463 1187394188 /nfs/dbraw/zinc/39/41/88/1187394188.db2.gz VFCAUCMQUMIMJK-NXEZZACHSA-N 0 1 311.363 0.910 20 5 DCBDMN CCc1ocnc1C(=O)N(CC)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737797748 1187408974 /nfs/dbraw/zinc/40/89/74/1187408974.db2.gz NDFORXJUZXOPEC-NXEZZACHSA-N 0 1 324.337 0.481 20 5 DCBDMN CN(CCCNC(=O)CC(C)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001743705317 1188157001 /nfs/dbraw/zinc/15/70/01/1188157001.db2.gz PJSBRKAIXLMDOK-RKDXNWHRSA-N 0 1 307.297 0.662 20 5 DCBDMN CCn1cccc1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001747790731 1188303155 /nfs/dbraw/zinc/30/31/55/1188303155.db2.gz PYQRZMRZCTWYPR-ZYHUDNBSSA-N 0 1 320.349 0.552 20 5 DCBDMN CCC1(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001757318907 1189528324 /nfs/dbraw/zinc/52/83/24/1189528324.db2.gz MNTTYFDELRBAPP-WRWGMCAJSA-N 0 1 309.366 0.853 20 5 DCBDMN Cc1ccncc1C(=O)NCCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001758351597 1189846706 /nfs/dbraw/zinc/84/67/06/1189846706.db2.gz BXFHDPTYOACRSE-DGCLKSJQSA-N 0 1 320.349 0.634 20 5 DCBDMN Cc1ccc(C(=O)NCCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001758369735 1189858347 /nfs/dbraw/zinc/85/83/47/1189858347.db2.gz QHXBARRPEVVCGB-ZYHUDNBSSA-N 0 1 321.337 0.029 20 5 DCBDMN CN(CCNC(=O)c1cc(C2CC2)n[nH]1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001758984763 1190056669 /nfs/dbraw/zinc/05/66/69/1190056669.db2.gz DEEGUEQEVFBCPX-BXKDBHETSA-N 0 1 321.337 0.141 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1c(C)noc1C ZINC001759001674 1190064588 /nfs/dbraw/zinc/06/45/88/1190064588.db2.gz WWVZRHGAORFASE-GHMZBOCLSA-N 0 1 324.337 0.535 20 5 DCBDMN CC(C)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C(F)F ZINC001759112086 1190096587 /nfs/dbraw/zinc/09/65/87/1190096587.db2.gz DVFABMONPPUDGJ-RKDXNWHRSA-N 0 1 307.297 0.660 20 5 DCBDMN O=C(/C=C/c1ccc[nH]1)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001759241561 1190138305 /nfs/dbraw/zinc/13/83/05/1190138305.db2.gz VDLLEDDYOIEXJS-CDJBXZAQSA-N 0 1 318.333 0.268 20 5 DCBDMN Cc1cc[nH]c1C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001759692058 1190270660 /nfs/dbraw/zinc/27/06/60/1190270660.db2.gz YFARWXGXPAJBHN-WUNPDAOYSA-N 0 1 306.322 0.391 20 5 DCBDMN CCc1cc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)no1 ZINC001759888182 1190331523 /nfs/dbraw/zinc/33/15/23/1190331523.db2.gz CUIXURVHRMPTHL-MWLCHTKSSA-N 0 1 322.321 0.281 20 5 DCBDMN CCc1nocc1CN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042705847 751852036 /nfs/dbraw/zinc/85/20/36/751852036.db2.gz ZPWTXOAINDETBG-DGCLKSJQSA-N 0 1 308.338 0.545 20 5 DCBDMN Cc1nc(CN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)oc1C ZINC001042705463 751852695 /nfs/dbraw/zinc/85/26/95/751852695.db2.gz RYOXBWKSDVDHSC-VXGBXAGGSA-N 0 1 308.338 0.599 20 5 DCBDMN Cc1nc(N[C@H]2C[C@@H](NC(=O)c3ncn[nH]3)C2)ccc1[N+](=O)[O-] ZINC001059692385 749473448 /nfs/dbraw/zinc/47/34/48/749473448.db2.gz OCIFKIMTMRDOHN-DTORHVGOSA-N 0 1 317.309 0.789 20 5 DCBDMN Cc1nc(N[C@H]2C[C@@H](NC(=O)c3nc[nH]n3)C2)ccc1[N+](=O)[O-] ZINC001059692385 749473451 /nfs/dbraw/zinc/47/34/51/749473451.db2.gz OCIFKIMTMRDOHN-DTORHVGOSA-N 0 1 317.309 0.789 20 5 DCBDMN O=C(NCCNCc1csc(C2CC2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001126932013 750142434 /nfs/dbraw/zinc/14/24/34/750142434.db2.gz FBJJZAMZDKXBGH-GHMZBOCLSA-N 0 1 310.379 0.892 20 5 DCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)C1=COCCC1 ZINC001062990037 755072004 /nfs/dbraw/zinc/07/20/04/755072004.db2.gz ZREDFPNYTKAADA-VXGBXAGGSA-N 0 1 323.349 0.501 20 5 DCBDMN Cc1cc(N2CCN(C(=O)c3ccn[nH]3)CC2)ncc1[N+](=O)[O-] ZINC001055722189 756886634 /nfs/dbraw/zinc/88/66/34/756886634.db2.gz PVHVRHVALDRUPA-UHFFFAOYSA-N 0 1 316.321 0.984 20 5 DCBDMN NCc1nnnn1-c1cc([N+](=O)[O-])cc(Br)n1 ZINC001168919956 760512131 /nfs/dbraw/zinc/51/21/31/760512131.db2.gz DONZDNWZVIVPAN-UHFFFAOYSA-N 0 1 300.076 0.187 20 5 DCBDMN C[C@H]1CN2CCN1C[C@H]2C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001123493962 767986675 /nfs/dbraw/zinc/98/66/75/767986675.db2.gz CXYDIPOVQTYHPT-WFASDCNBSA-N 0 1 318.377 0.942 20 5 DCBDMN NC(=O)C1(C(=O)NCCNCc2ccccc2[N+](=O)[O-])CC1 ZINC001133187655 764860517 /nfs/dbraw/zinc/86/05/17/764860517.db2.gz FPGCZQBMHKEGSZ-UHFFFAOYSA-N 0 1 306.322 0.066 20 5 DCBDMN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CC1 ZINC001135900159 766156307 /nfs/dbraw/zinc/15/63/07/766156307.db2.gz ARKPZRPNLHVXJU-UHFFFAOYSA-N 0 1 320.349 0.327 20 5 DCBDMN C[C@@H](O)C[N@H+]1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])[C@H](C)C1 ZINC001118284255 766277798 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O=C1CCCN1[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000574029331 397229337 /nfs/dbraw/zinc/22/93/37/397229337.db2.gz VFJOETPVZRCEIN-LBPRGKRZSA-N 0 1 307.354 0.878 20 5 DCBDMN C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000599271596 397386109 /nfs/dbraw/zinc/38/61/09/397386109.db2.gz HSKNJEJTGLAIJK-SCZZXKLOSA-N 0 1 318.355 0.564 20 5 DCBDMN C[C@H](NC(=O)NC[C@@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000599909752 397538499 /nfs/dbraw/zinc/53/84/99/397538499.db2.gz ZEJOVLRYBMJOOX-CMPLNLGQSA-N 0 1 308.338 0.943 20 5 DCBDMN Cc1nc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000183405207 158498137 /nfs/dbraw/zinc/49/81/37/158498137.db2.gz ZVQVLYCFNJWFDR-UHFFFAOYSA-N 0 1 311.323 0.974 20 5 DCBDMN COC[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])OC ZINC000315103153 159000950 /nfs/dbraw/zinc/00/09/50/159000950.db2.gz HNHSRTIGVGWLEP-QMMMGPOBSA-N 0 1 322.314 0.674 20 5 DCBDMN Cc1ccc(NC(=O)C(=O)N2CCN[C@H](C)C2)cc1[N+](=O)[O-] ZINC000415428449 287236266 /nfs/dbraw/zinc/23/62/66/287236266.db2.gz HIRACPFMTLRUGG-SNVBAGLBSA-N 0 1 306.322 0.662 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCN[C@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000331660397 415175289 /nfs/dbraw/zinc/17/52/89/415175289.db2.gz WZMOHGUEGJNJJT-NSHDSACASA-N 0 1 316.321 0.808 20 5 DCBDMN C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000268248077 415181715 /nfs/dbraw/zinc/18/17/15/415181715.db2.gz WKMVYUJICMHWPW-UFBFGSQYSA-N 0 1 306.322 0.908 20 5 DCBDMN C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000268248077 415181724 /nfs/dbraw/zinc/18/17/24/415181724.db2.gz WKMVYUJICMHWPW-UFBFGSQYSA-N 0 1 306.322 0.908 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CCN3C(=O)NC[C@@H]3C2)c1[N+](=O)[O-] ZINC000269533009 415252572 /nfs/dbraw/zinc/25/25/72/415252572.db2.gz SPUQICHIBNIKDX-MRVPVSSYSA-N 0 1 322.325 0.291 20 5 DCBDMN C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000281712362 415571549 /nfs/dbraw/zinc/57/15/49/415571549.db2.gz WRISORLSIIRZSX-QWRGUYRKSA-N 0 1 323.349 0.828 20 5 DCBDMN C[C@H](O)C[N@H+]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000281712362 415571553 /nfs/dbraw/zinc/57/15/53/415571553.db2.gz WRISORLSIIRZSX-QWRGUYRKSA-N 0 1 323.349 0.828 20 5 DCBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000106815691 415649407 /nfs/dbraw/zinc/64/94/07/415649407.db2.gz GARBOJKCVHJEGS-NSHDSACASA-N 0 1 321.381 0.664 20 5 DCBDMN CN(C)C(=O)C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298078581 415991468 /nfs/dbraw/zinc/99/14/68/415991468.db2.gz IAAXGFFTURBJOT-UHFFFAOYSA-N 0 1 308.338 0.943 20 5 DCBDMN CN(C)C(=O)CN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298078581 415991470 /nfs/dbraw/zinc/99/14/70/415991470.db2.gz IAAXGFFTURBJOT-UHFFFAOYSA-N 0 1 308.338 0.943 20 5 DCBDMN CCOC(=O)[C@](C)(O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000345450401 416098256 /nfs/dbraw/zinc/09/82/56/416098256.db2.gz FMNMKINVQGQZPP-CYBMUJFWSA-N 0 1 312.278 0.344 20 5 DCBDMN O=C(NCc1nnc[nH]1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000358567749 416254760 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1.154 20 5 DCBDMN CC[C@H](O)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000515055912 416688006 /nfs/dbraw/zinc/68/80/06/416688006.db2.gz VKQDWRDYFCZBJM-NSHDSACASA-N 0 1 302.352 0.729 20 5 DCBDMN NC(=O)c1ccc(N2CC[C@H](c3nc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000425290948 416691068 /nfs/dbraw/zinc/69/10/68/416691068.db2.gz YRBLMWSXMYEAMX-VIFPVBQESA-N 0 1 302.294 0.806 20 5 DCBDMN CNc1nccc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000551896274 416697181 /nfs/dbraw/zinc/69/71/81/416697181.db2.gz IMMJVHPXJAUOLK-PWSUYJOCSA-N 0 1 319.365 1.198 20 5 DCBDMN CNc1nccc(C(=O)NCCCc2cn[nH]c2C)c1[N+](=O)[O-] ZINC000557589592 416738610 /nfs/dbraw/zinc/73/86/10/416738610.db2.gz WENLWNGWPWAEAY-UHFFFAOYSA-N 0 1 318.337 1.426 20 5 DCBDMN CCC[C@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1nn[nH]n1 ZINC000427634110 416833568 /nfs/dbraw/zinc/83/35/68/416833568.db2.gz POBCCKSZQBEEKH-ZETCQYMHSA-N 0 1 308.302 0.596 20 5 DCBDMN O=C([O-])c1cnc(N2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000518381099 416851864 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DCBDMN Cc1ocnc1C(=O)N(C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737131996 1187258133 /nfs/dbraw/zinc/25/81/33/1187258133.db2.gz DRMXRPKNLZYVAL-NXEZZACHSA-N 0 1 310.310 0.227 20 5 DCBDMN CCc1nc[nH]c1C(=O)NCCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737189774 1187277192 /nfs/dbraw/zinc/27/71/92/1187277192.db2.gz VZIKKQFDBZIFCT-MWLCHTKSSA-N 0 1 323.353 0.216 20 5 DCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc(Cl)[nH]1 ZINC001737726648 1187394099 /nfs/dbraw/zinc/39/40/99/1187394099.db2.gz YITAMGGFBGWUKW-VXNVDRBHSA-N 0 1 314.729 0.522 20 5 DCBDMN Cc1c(F)cccc1C(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737726469 1187394176 /nfs/dbraw/zinc/39/41/76/1187394176.db2.gz VOEMRPDIZGQSNW-DGCLKSJQSA-N 0 1 323.324 0.988 20 5 DCBDMN CCc1nc(C)c(C(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001737777161 1187404402 /nfs/dbraw/zinc/40/44/02/1187404402.db2.gz UKODZLACUASUCF-NXEZZACHSA-N 0 1 324.337 0.399 20 5 DCBDMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cccnn1 ZINC001737860151 1187418749 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O=C(NCC1(NC(=O)C2CC=CC2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001062989277 755072019 /nfs/dbraw/zinc/07/20/19/755072019.db2.gz XMRIUZMRKIHKQL-VXGBXAGGSA-N 0 1 307.350 0.773 20 5 DCBDMN CSCCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989830 755072089 /nfs/dbraw/zinc/07/20/89/755072089.db2.gz UDTQISBSZFMOFG-NXEZZACHSA-N 0 1 315.395 0.560 20 5 DCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1cc[nH]c1 ZINC001062990408 755072841 /nfs/dbraw/zinc/07/28/41/755072841.db2.gz IPOIPSCNOUJPPV-GHMZBOCLSA-N 0 1 306.322 0.449 20 5 DCBDMN O=C(NC1(CNC(=O)C2(C3CC3)CC2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001063383633 755164899 /nfs/dbraw/zinc/16/48/99/755164899.db2.gz OPAXMBYUVPZRBU-VXGBXAGGSA-N 0 1 321.377 0.997 20 5 DCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1cnco1 ZINC001063774811 755261684 /nfs/dbraw/zinc/26/16/84/755261684.db2.gz LKLWRVKFDXPRBL-RKDXNWHRSA-N 0 1 308.294 0.109 20 5 DCBDMN CCN(C(=O)/C=C\C1CC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079551801 755906193 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CN(C)c1cc(F)c(C(=O)NCc2nnc[nH]2)cc1[N+](=O)[O-] ZINC001136421605 766291982 /nfs/dbraw/zinc/29/19/82/766291982.db2.gz XJTMEOUTXQWMII-UHFFFAOYSA-N 0 1 308.273 0.848 20 5 DCBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC001119013383 766504005 /nfs/dbraw/zinc/50/40/05/766504005.db2.gz JDVOYWVYUYUJDF-MRVPVSSYSA-N 0 1 302.294 0.925 20 5 DCBDMN CN1CCN(C2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC001119633294 766755995 /nfs/dbraw/zinc/75/59/95/766755995.db2.gz LIEMQGGXCKOURB-UHFFFAOYSA-N 0 1 322.340 0.806 20 5 DCBDMN O=C(NCCc1nc(Cc2ccccc2)no1)[C@@H]1CC1[N+](=O)[O-] ZINC001121182195 767448105 /nfs/dbraw/zinc/44/81/05/767448105.db2.gz NBXOHBDAZKPCMW-VXGBXAGGSA-N 0 1 316.317 0.984 20 5 DCBDMN Cc1nc(NCCNC(=O)C2=NC(=O)N(C)C2)ccc1[N+](=O)[O-] ZINC001094091185 768857707 /nfs/dbraw/zinc/85/77/07/768857707.db2.gz KTCYNOKVWNCPOS-UHFFFAOYSA-N 0 1 320.309 0.579 20 5 DCBDMN Cc1cc(NC2(CNC(=O)c3ncn[nH]3)CC2)ncc1[N+](=O)[O-] ZINC001110199892 770334407 /nfs/dbraw/zinc/33/44/07/770334407.db2.gz MJYYGNVHJHMDBD-UHFFFAOYSA-N 0 1 317.309 0.791 20 5 DCBDMN Cc1cc(NC2(CNC(=O)c3nc[nH]n3)CC2)ncc1[N+](=O)[O-] ZINC001110199892 770334420 /nfs/dbraw/zinc/33/44/20/770334420.db2.gz MJYYGNVHJHMDBD-UHFFFAOYSA-N 0 1 317.309 0.791 20 5 DCBDMN Cc1nc(NC2(CNC(=O)c3ncn[nH]3)CC2)ccc1[N+](=O)[O-] ZINC001110200235 770340754 /nfs/dbraw/zinc/34/07/54/770340754.db2.gz YECHWPCRUQKUNE-UHFFFAOYSA-N 0 1 317.309 0.791 20 5 DCBDMN Cc1nc(NC2(CNC(=O)c3nc[nH]n3)CC2)ccc1[N+](=O)[O-] ZINC001110200235 770340767 /nfs/dbraw/zinc/34/07/67/770340767.db2.gz YECHWPCRUQKUNE-UHFFFAOYSA-N 0 1 317.309 0.791 20 5 DCBDMN Cc1cc(C(=O)NCC(=O)NC[C@H]2CCN2C)ccc1[N+](=O)[O-] ZINC001178455790 770757841 /nfs/dbraw/zinc/75/78/41/770757841.db2.gz LIVRNGXQQWEOFX-GFCCVEGCSA-N 0 1 320.349 0.453 20 5 DCBDMN O=C(NCCCNCc1nc(C(F)F)no1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767003 771665977 /nfs/dbraw/zinc/66/59/77/771665977.db2.gz CXXURMBXLQKQIK-RNFRBKRXSA-N 0 1 319.268 0.268 20 5 DCBDMN COC(=O)c1cnc(NC(=N)N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001157914338 771692091 /nfs/dbraw/zinc/69/20/91/771692091.db2.gz CERNVCZFSOGGCL-UHFFFAOYSA-N 0 1 322.325 0.370 20 5 DCBDMN COc1nc(C)c([N+](=O)[O-])c(N2CC(N(C)[C@H]3CCOC3)C2)n1 ZINC001158731228 771815837 /nfs/dbraw/zinc/81/58/37/771815837.db2.gz IEBJLHIVMVIHEL-JTQLQIEISA-N 0 1 323.353 0.611 20 5 DCBDMN CN(CCN1CC2(C1)CCOCC2)c1nn(C)cc1[N+](=O)[O-] ZINC001187391261 772185715 /nfs/dbraw/zinc/18/57/15/772185715.db2.gz LLOYKSJMDDHSQA-UHFFFAOYSA-N 0 1 309.370 0.877 20 5 DCBDMN O=C(NCC1(Nc2ncccc2[N+](=O)[O-])CC1)c1cnn[nH]1 ZINC001110396151 772218557 /nfs/dbraw/zinc/21/85/57/772218557.db2.gz LCNBSOCMLFQSFN-UHFFFAOYSA-N 0 1 303.282 0.482 20 5 DCBDMN Nc1ccnc(NCc2nnc3n2CCCNC3)c1[N+](=O)[O-] ZINC001163016948 772444942 /nfs/dbraw/zinc/44/49/42/772444942.db2.gz OTUNWQIEHLRXRH-UHFFFAOYSA-N 0 1 304.314 0.269 20 5 DCBDMN COC(=O)[C@@H]1CNCCN1c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001165441318 772738699 /nfs/dbraw/zinc/73/86/99/772738699.db2.gz CLFTYVUJINVITQ-JTQLQIEISA-N 0 1 305.294 0.422 20 5 DCBDMN CS(=O)(=O)N(c1nccc(Cl)c1[N+](=O)[O-])C1CNC1 ZINC001166968240 772892643 /nfs/dbraw/zinc/89/26/43/772892643.db2.gz RXYMHUQRABLGHU-UHFFFAOYSA-N 0 1 306.731 0.381 20 5 DCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCCc1cnccn1 ZINC001211363531 773795004 /nfs/dbraw/zinc/79/50/04/773795004.db2.gz MXOBYDVPRZNIOB-UHFFFAOYSA-N 0 1 309.307 0.301 20 5 DCBDMN COC(=O)CN1C[C@H](Oc2cc(O)ccc2[N+](=O)[O-])CC1=O ZINC001225490407 775686904 /nfs/dbraw/zinc/68/69/04/775686904.db2.gz HRTPOSWLGBSFBM-SECBINFHSA-N 0 1 310.262 0.453 20 5 DCBDMN CC(=O)Nc1nc2nc[nH]c2c(O[C@@H](C[N+](=O)[O-])C2CC2)n1 ZINC001225826283 775725263 /nfs/dbraw/zinc/72/52/63/775725263.db2.gz GILNZUQYSOUFSB-QMMMGPOBSA-N 0 1 306.282 0.745 20 5 DCBDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cc[nH]c1 ZINC001067391951 777811678 /nfs/dbraw/zinc/81/16/78/777811678.db2.gz QMVJAAZZDCYMMH-VXGBXAGGSA-N 0 1 308.338 0.600 20 5 DCBDMN COCCC(=O)N(C)CC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001486744544 945098996 /nfs/dbraw/zinc/09/89/96/945098996.db2.gz RTVGSQLEJBLHJM-GHMZBOCLSA-N 0 1 315.370 0.289 20 5 DCBDMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ncc(C)cn1 ZINC001316889821 944619711 /nfs/dbraw/zinc/61/97/11/944619711.db2.gz HXUYXBHNGLRGSY-CHWSQXEVSA-N 0 1 321.381 0.778 20 5 DCBDMN Cc1nccnc1CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001317552243 945044953 /nfs/dbraw/zinc/04/49/53/945044953.db2.gz FVCMQEAJKQPAQW-TZMCWYRMSA-N 0 1 319.365 0.531 20 5 DCBDMN Cn1cc(N2CC[C@@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])C2)cn1 ZINC001319970790 945705525 /nfs/dbraw/zinc/70/55/25/945705525.db2.gz NCAPZKDOEGHOTF-MRVPVSSYSA-N 0 1 305.298 0.060 20 5 DCBDMN Cc1ccnc(CN(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001319999156 945714753 /nfs/dbraw/zinc/71/47/53/945714753.db2.gz BLFARUMXULZIIT-VXGBXAGGSA-N 0 1 307.354 0.340 20 5 DCBDMN O=[N+]([O-])c1ncn(Cc2nc([C@@H]3CN4CCC3CC4)no2)n1 ZINC001320325808 945824311 /nfs/dbraw/zinc/82/43/11/945824311.db2.gz BGWVSGPOYIPBRL-SECBINFHSA-N 0 1 305.298 0.427 20 5 DCBDMN Cc1ccc([N+](=O)[O-])c(NCCNC(=O)CCc2c[nH]nn2)n1 ZINC001094130001 947780814 /nfs/dbraw/zinc/78/08/14/947780814.db2.gz PXMRYZNLOSRHDB-UHFFFAOYSA-N 0 1 319.325 0.577 20 5 DCBDMN Cc1ccc([N+](=O)[O-])c(NCCNC(=O)CCc2cnn[nH]2)n1 ZINC001094130001 947780819 /nfs/dbraw/zinc/78/08/19/947780819.db2.gz PXMRYZNLOSRHDB-UHFFFAOYSA-N 0 1 319.325 0.577 20 5 DCBDMN Cc1cncc([N+](=O)[O-])c1N1CCN(C(=O)CN(C)C)CC1 ZINC001326358420 948138162 /nfs/dbraw/zinc/13/81/62/948138162.db2.gz GVXBHJYCDMHWSK-UHFFFAOYSA-N 0 1 307.354 0.508 20 5 DCBDMN O=C(NCCc1nccn1C(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC001263851169 948782923 /nfs/dbraw/zinc/78/29/23/948782923.db2.gz ZEJUPLLQJBTRCO-UHFFFAOYSA-N 0 1 300.225 0.882 20 5 DCBDMN O=C([O-])c1cnc(N2CC[N@@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001328607336 948988688 /nfs/dbraw/zinc/98/86/88/948988688.db2.gz ZBOWEAPRXNYRPC-JTQLQIEISA-N 0 1 308.294 0.209 20 5 DCBDMN O=C([O-])c1cnc(N2CC[N@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001328607336 948988702 /nfs/dbraw/zinc/98/87/02/948988702.db2.gz ZBOWEAPRXNYRPC-JTQLQIEISA-N 0 1 308.294 0.209 20 5 DCBDMN CO[C@H]1CC[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC001328750140 949068235 /nfs/dbraw/zinc/06/82/35/949068235.db2.gz XLFXPVLUVROPNG-YUMQZZPRSA-N 0 1 304.328 0.174 20 5 DCBDMN O=C(NC[C@@H]1COCCN1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001330010428 950056217 /nfs/dbraw/zinc/05/62/17/950056217.db2.gz UNXQVOJRFHVXDG-GFCCVEGCSA-N 0 1 306.322 0.608 20 5 DCBDMN CC(C)(C)c1noc(Cn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)n1 ZINC001573888601 950871589 /nfs/dbraw/zinc/87/15/89/950871589.db2.gz XAHCKSVUPADHQQ-UHFFFAOYSA-N 0 1 319.285 0.700 20 5 DCBDMN Cc1[nH]ncc1CCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001332239702 951537172 /nfs/dbraw/zinc/53/71/72/951537172.db2.gz WTFPQLDGMYCPNA-UHFFFAOYSA-N 0 1 319.321 0.537 20 5 DCBDMN COc1ccc(NC(=O)[C@H]2CN3CCN2C[C@H]3C)cc1[N+](=O)[O-] ZINC001346532701 953913727 /nfs/dbraw/zinc/91/37/27/953913727.db2.gz USJAFPACSCAAHQ-ZWNOBZJWSA-N 0 1 320.349 0.930 20 5 DCBDMN C[C@@H]1CN2CCN1C[C@H]2C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001346567637 953920321 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20 5 DCBDMN CN1CCN(C2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)CC1 ZINC001350729380 955175370 /nfs/dbraw/zinc/17/53/70/955175370.db2.gz WSYYYLBXVRMLRR-UHFFFAOYSA-N 0 1 322.340 0.806 20 5 DCBDMN CCN(CCNC(=O)c1ccnc(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284641076 955210244 /nfs/dbraw/zinc/21/02/44/955210244.db2.gz ZEQXLJBYRHTTII-CHWSQXEVSA-N 0 1 320.349 0.634 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccnc(C)c1 ZINC001356050516 956769501 /nfs/dbraw/zinc/76/95/01/956769501.db2.gz BUSZDFCVTDFHRD-CHWSQXEVSA-N 0 1 320.349 0.634 20 5 DCBDMN O=C(NCCN(C(=O)C1=COCCC1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001356611295 956909157 /nfs/dbraw/zinc/90/91/57/956909157.db2.gz IXTMZDIEJFAOES-CHWSQXEVSA-N 0 1 323.349 0.453 20 5 DCBDMN O=C(NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC001357517332 957307873 /nfs/dbraw/zinc/30/78/73/957307873.db2.gz ZXGRBNWDJSDFPG-DIABFLQPSA-N 0 1 303.318 0.754 20 5 DCBDMN C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CN(C)CCN1C ZINC001293743925 957422486 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C[C@@H](O)C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000186847440 396359188 /nfs/dbraw/zinc/35/91/88/396359188.db2.gz UBEXNEIKVBXCMJ-SNVBAGLBSA-N 0 1 309.322 0.439 20 5 DCBDMN O=C(NCCC1(O)CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000286232693 396382407 /nfs/dbraw/zinc/38/24/07/396382407.db2.gz UGICQTBZDKRJTC-UHFFFAOYSA-N 0 1 310.306 0.962 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CCN(CCO)CC2)c1[N+](=O)[O-] ZINC000269361747 396410077 /nfs/dbraw/zinc/41/00/77/396410077.db2.gz JQBKPDAUWZLRJC-UHFFFAOYSA-N 0 1 311.342 0.191 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCNC(=O)[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000192912444 396440266 /nfs/dbraw/zinc/44/02/66/396440266.db2.gz FTVBDFQFAGIJBK-SNVBAGLBSA-N 0 1 323.353 0.867 20 5 DCBDMN Cc1nnc([C@@H](C)NS(=O)(=O)c2ncccc2[N+](=O)[O-])[nH]1 ZINC000594777934 396512878 /nfs/dbraw/zinc/51/28/78/396512878.db2.gz KLDKZNKOLNPHKQ-ZCFIWIBFSA-N 0 1 312.311 0.456 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-]CC[C@H](C)[NH+](C)C)c([N+](=O)[O-])n1 ZINC000594821198 396522375 /nfs/dbraw/zinc/52/23/75/396522375.db2.gz KPJZTPMVYYIFOL-VIFPVBQESA-N 0 1 319.387 0.430 20 5 DCBDMN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000586757893 396663094 /nfs/dbraw/zinc/66/30/94/396663094.db2.gz ZLASTOBENYGNGA-LLVKDONJSA-N 0 1 323.353 0.645 20 5 DCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)Cc1n[nH]c(=O)o1 ZINC000588848995 396694894 /nfs/dbraw/zinc/69/48/94/396694894.db2.gz JCRFRZZVRIDKIW-UHFFFAOYSA-N 0 1 310.270 0.237 20 5 DCBDMN CC(C)(CO)N1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000590695520 396825143 /nfs/dbraw/zinc/82/51/43/396825143.db2.gz NYOHZBIBNYOTQF-UHFFFAOYSA-N 0 1 324.337 0.224 20 5 DCBDMN Cc1nc([C@@H]2COCCN2C(=O)c2n[nH]c(C)c2[N+](=O)[O-])no1 ZINC000611536807 396883703 /nfs/dbraw/zinc/88/37/03/396883703.db2.gz XKNOEUAPMAGOKT-QMMMGPOBSA-N 0 1 322.281 0.531 20 5 DCBDMN COc1ccccc1[C@@H](N)CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000591681016 396977127 /nfs/dbraw/zinc/97/71/27/396977127.db2.gz MFRMMJXJUJXCDB-NSHDSACASA-N 0 1 319.321 0.616 20 5 DCBDMN CN1CCN(CCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600977383 396979063 /nfs/dbraw/zinc/97/90/63/396979063.db2.gz GDDIGGKDSYLITC-UHFFFAOYSA-N 0 1 310.329 0.711 20 5 DCBDMN COC(=O)[C@@H]1C[C@H](O)CN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000592206261 397129065 /nfs/dbraw/zinc/12/90/65/397129065.db2.gz YMOIWOUCJQLPNB-NEPJUHHUSA-N 0 1 324.333 0.829 20 5 DCBDMN COC(=O)[C@@H]1CNCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592547654 397207765 /nfs/dbraw/zinc/20/77/65/397207765.db2.gz IYBWCIFWUZZCKY-LBPRGKRZSA-N 0 1 307.306 0.572 20 5 DCBDMN C[C@H](C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000574524696 397276604 /nfs/dbraw/zinc/27/66/04/397276604.db2.gz HFVNLLPLXUWFGT-GHMZBOCLSA-N 0 1 312.322 0.987 20 5 DCBDMN CN(C)C1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598900198 397304637 /nfs/dbraw/zinc/30/46/37/397304637.db2.gz PITPYJWCEHPOIX-UHFFFAOYSA-N 0 1 321.337 0.489 20 5 DCBDMN CC(C)[C@@H]1CNCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000599100038 397335846 /nfs/dbraw/zinc/33/58/46/397335846.db2.gz DGTDAXCEUURRAR-JTQLQIEISA-N 0 1 314.367 0.608 20 5 DCBDMN COC(=O)c1cnc(NCCN2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599199403 397360874 /nfs/dbraw/zinc/36/08/74/397360874.db2.gz JPRBADKTSUUELZ-JTQLQIEISA-N 0 1 310.310 0.255 20 5 DCBDMN O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000578768537 397482654 /nfs/dbraw/zinc/48/26/54/397482654.db2.gz HTFBUOJTYBQDQT-CMPLNLGQSA-N 0 1 306.322 0.813 20 5 DCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCc3c(O)cccc3C2)c1 ZINC000599644905 397493274 /nfs/dbraw/zinc/49/32/74/397493274.db2.gz AOWIUISQWHIEDX-ZDUSSCGKSA-N 0 1 318.333 0.916 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599936777 397544498 /nfs/dbraw/zinc/54/44/98/397544498.db2.gz BWJIKYCASUUSRR-VHSXEESVSA-N 0 1 323.353 0.161 20 5 DCBDMN CCc1n[n-]c(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599936777 397544514 /nfs/dbraw/zinc/54/45/14/397544514.db2.gz BWJIKYCASUUSRR-VHSXEESVSA-N 0 1 323.353 0.161 20 5 DCBDMN CCc1n[n-]c(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599936777 397544519 /nfs/dbraw/zinc/54/45/19/397544519.db2.gz BWJIKYCASUUSRR-VHSXEESVSA-N 0 1 323.353 0.161 20 5 DCBDMN C[C@]1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000579717262 397590207 /nfs/dbraw/zinc/59/02/07/397590207.db2.gz CDUOBZTWUJMSRU-LBPRGKRZSA-N 0 1 314.367 0.658 20 5 DCBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2CCc3[nH]nnc3C2)c1 ZINC000359745494 159264799 /nfs/dbraw/zinc/26/47/99/159264799.db2.gz TVSUHXNSKBSGIL-UHFFFAOYSA-N 0 1 303.278 0.920 20 5 DCBDMN O=C(NCc1ccc(-n2cncn2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000136276434 287025897 /nfs/dbraw/zinc/02/58/97/287025897.db2.gz CNPIIGNJKFOGEM-UHFFFAOYSA-N 0 1 313.277 0.829 20 5 DCBDMN C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@@H](C)C1 ZINC000253355645 287121392 /nfs/dbraw/zinc/12/13/92/287121392.db2.gz UIWVSQZISBOOGD-QWRGUYRKSA-N 0 1 323.349 0.828 20 5 DCBDMN C[C@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@@H](C)C1 ZINC000253355645 287121395 /nfs/dbraw/zinc/12/13/95/287121395.db2.gz UIWVSQZISBOOGD-QWRGUYRKSA-N 0 1 323.349 0.828 20 5 DCBDMN COCCN1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000331670303 415180796 /nfs/dbraw/zinc/18/07/96/415180796.db2.gz RSARTCBYFIHXEJ-UHFFFAOYSA-N 0 1 311.342 0.123 20 5 DCBDMN COC[C@@H](CCO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000270398511 415258350 /nfs/dbraw/zinc/25/83/50/415258350.db2.gz VGALRLJOEMHMGK-MRVPVSSYSA-N 0 1 322.314 0.410 20 5 DCBDMN Cn1c(C(=O)N[C@@H](CO)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000352866142 415351770 /nfs/dbraw/zinc/35/17/70/415351770.db2.gz KFXVCTPUZGDWHW-LLVKDONJSA-N 0 1 310.354 0.510 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N(C[C@H](C)O)[C@H](C)CO)c1[N+](=O)[O-] ZINC000275939107 415395501 /nfs/dbraw/zinc/39/55/01/415395501.db2.gz BOVOYTKLCITZQJ-BDAKNGLRSA-N 0 1 314.342 0.645 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCNC(=O)[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000276039438 415416687 /nfs/dbraw/zinc/41/66/87/415416687.db2.gz SKNBWGNAKUQLHJ-SECBINFHSA-N 0 1 309.326 0.613 20 5 DCBDMN NC(=O)COc1cccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000343438074 415600751 /nfs/dbraw/zinc/60/07/51/415600751.db2.gz BTBSODRUTALTQD-UHFFFAOYSA-N 0 1 319.277 0.112 20 5 DCBDMN O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000354706694 415814307 /nfs/dbraw/zinc/81/43/07/415814307.db2.gz BMSZJMPHSFIARG-LLVKDONJSA-N 0 1 313.277 0.955 20 5 DCBDMN Cc1nc(CN2CCN(c3ncc([N+](=O)[O-])s3)CC2)n[nH]1 ZINC000337024490 415892700 /nfs/dbraw/zinc/89/27/00/415892700.db2.gz UMPFYNVNRPVNOD-UHFFFAOYSA-N 0 1 309.355 0.800 20 5 DCBDMN CNC(=O)[C@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299088891 416050472 /nfs/dbraw/zinc/05/04/72/416050472.db2.gz LCZWKKNGIXHHSY-GXTWGEPZSA-N 0 1 323.349 0.545 20 5 DCBDMN CN1CCN(C)[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000357256896 416054846 /nfs/dbraw/zinc/05/48/46/416054846.db2.gz PHDAISDHYKPAPY-ZDUSSCGKSA-N 0 1 324.356 0.638 20 5 DCBDMN COC(=O)CNC(=O)[C@H](C)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338363736 416085055 /nfs/dbraw/zinc/08/50/55/416085055.db2.gz WVZIAKRZGWBHKU-NSHDSACASA-N 0 1 323.349 0.747 20 5 DCBDMN COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357465968 416085717 /nfs/dbraw/zinc/08/57/17/416085717.db2.gz KGHKEYXATAYLDC-GHMZBOCLSA-N 0 1 310.262 0.049 20 5 DCBDMN COC(=O)[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000338372785 416086936 /nfs/dbraw/zinc/08/69/36/416086936.db2.gz ISEXFLLAFGPBTQ-SVRRBLITSA-N 0 1 312.282 0.029 20 5 DCBDMN CC(=O)NCCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000357840625 416140446 /nfs/dbraw/zinc/14/04/46/416140446.db2.gz LSCVEURDPBOFAQ-UHFFFAOYSA-N 0 1 305.294 0.727 20 5 DCBDMN CN1CC[N@@H+](C)C[C@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347410288 416218829 /nfs/dbraw/zinc/21/88/29/416218829.db2.gz FZHFHDIXQVUREI-LLVKDONJSA-N 0 1 316.365 1.196 20 5 DCBDMN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000360541573 416395460 /nfs/dbraw/zinc/39/54/60/416395460.db2.gz GXNCJYAHLKXMGF-UHFFFAOYSA-N 0 1 314.265 0.761 20 5 DCBDMN CNc1nc(C(=O)N2CC[C@@H](c3nc[nH]n3)C2)ccc1[N+](=O)[O-] ZINC000425056672 416681807 /nfs/dbraw/zinc/68/18/07/416681807.db2.gz FYDGFZPBEDIEFX-MRVPVSSYSA-N 0 1 317.309 0.779 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CCN3C(=O)OC[C@H]3C2)c1[N+](=O)[O-] ZINC000493930157 416644137 /nfs/dbraw/zinc/64/41/37/416644137.db2.gz MTZXVWURWQWXAZ-MRVPVSSYSA-N 0 1 323.309 0.718 20 5 DCBDMN CCc1[nH]nc(C(=O)Nc2nn3cnnc3s2)c1[N+](=O)[O-] ZINC000609473284 416654611 /nfs/dbraw/zinc/65/46/11/416654611.db2.gz SJEXEVGQALLBPU-UHFFFAOYSA-N 0 1 308.283 0.632 20 5 DCBDMN O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@H](c2nc[nH]n2)C1 ZINC000425665007 416720435 /nfs/dbraw/zinc/72/04/35/416720435.db2.gz UIKMQXOGMNOVGE-QMMMGPOBSA-N 0 1 303.282 0.551 20 5 DCBDMN COC(=O)c1nc[nH]c1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000559231856 416804432 /nfs/dbraw/zinc/80/44/32/416804432.db2.gz CQFVVBAVTXFTKS-UHFFFAOYSA-N 0 1 308.254 0.248 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCOC[C@@H]2C[C@H](C)O)c1[N+](=O)[O-] ZINC000444362704 416836452 /nfs/dbraw/zinc/83/64/52/416836452.db2.gz GCWGUOUIGYZAPV-IUCAKERBSA-N 0 1 312.326 0.492 20 5 DCBDMN Cn1cnnc1CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000521641982 417023745 /nfs/dbraw/zinc/02/37/45/417023745.db2.gz NXXJKFRTEDJRRZ-UHFFFAOYSA-N 0 1 305.294 0.792 20 5 DCBDMN Cc1c([C@H]2OCC[C@@H]2NCc2c([N+](=O)[O-])ncn2C)cnn1C ZINC000431978039 417152733 /nfs/dbraw/zinc/15/27/33/417152733.db2.gz SILLUFBGGBYHBP-WCQYABFASA-N 0 1 320.353 0.990 20 5 DCBDMN Cc1nn(C)c(N2CCN(CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302519498 230282401 /nfs/dbraw/zinc/28/24/01/230282401.db2.gz WVPDFJRBIPKEDQ-JTQLQIEISA-N 0 1 311.386 0.918 20 5 DCBDMN COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000263938347 261167857 /nfs/dbraw/zinc/16/78/57/261167857.db2.gz OZBHACUPNVRAMZ-QMMMGPOBSA-N 0 1 324.318 0.894 20 5 DCBDMN CN1CCC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1=O ZINC000354486547 261225553 /nfs/dbraw/zinc/22/55/53/261225553.db2.gz DYFKXHBPYHRGNX-NSHDSACASA-N 0 1 317.305 0.822 20 5 DCBDMN CCN1CCN([C@H]2CCN(c3ncc([N+](=O)[O-])cn3)C2)CC1 ZINC000354611733 261245010 /nfs/dbraw/zinc/24/50/10/261245010.db2.gz YPGPPHZBVODFBN-LBPRGKRZSA-N 0 1 306.370 0.601 20 5 DCBDMN C[C@@H](NC(=O)C(=O)N1CCNC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000419152587 262313764 /nfs/dbraw/zinc/31/37/64/262313764.db2.gz ORERAWCHDRILCO-GHMZBOCLSA-N 0 1 320.349 0.592 20 5 DCBDMN CC(C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1nn[nH]n1 ZINC000357273665 271047915 /nfs/dbraw/zinc/04/79/15/271047915.db2.gz OKDHDTAOAOWKAQ-UHFFFAOYSA-N 0 1 308.273 0.841 20 5 DCBDMN O=C(COc1cccc([N+](=O)[O-])c1)N1CCc2[nH]nnc2C1 ZINC000359766904 271141463 /nfs/dbraw/zinc/14/14/63/271141463.db2.gz UMYKTYGIRUAXDS-UHFFFAOYSA-N 0 1 303.278 0.677 20 5 DCBDMN CO[C@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@@H]1OC ZINC000489263918 272059924 /nfs/dbraw/zinc/05/99/24/272059924.db2.gz WYZHANAYWKJZOZ-IUCAKERBSA-N 0 1 312.326 0.927 20 5 DCBDMN 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ZINC001651187332 1173741141 /nfs/dbraw/zinc/74/11/41/1173741141.db2.gz CLVBJPKXPBXYIO-QMMMGPOBSA-N 0 1 319.325 0.639 20 5 DCBDMN O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](c3nnn[n-]3)C2)cc1 ZINC001655439190 1173820176 /nfs/dbraw/zinc/82/01/76/1173820176.db2.gz JRRMSTAVPFSJMN-CMPLNLGQSA-N 0 1 304.310 0.631 20 5 DCBDMN O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H](c3nnn[n-]3)C2)cc1 ZINC001655439190 1173820181 /nfs/dbraw/zinc/82/01/81/1173820181.db2.gz JRRMSTAVPFSJMN-CMPLNLGQSA-N 0 1 304.310 0.631 20 5 DCBDMN NC(=O)CC(=O)NCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001663710434 1174344757 /nfs/dbraw/zinc/34/47/57/1174344757.db2.gz LBMZXFJQYLDAFU-UHFFFAOYSA-N 0 1 320.349 0.551 20 5 DCBDMN CN(CCNCc1noc(C2CCC2)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001663923610 1174371587 /nfs/dbraw/zinc/37/15/87/1174371587.db2.gz FIQFDFQHFJWXKP-GHMZBOCLSA-N 0 1 323.353 0.550 20 5 DCBDMN Cc1nnc(CN(C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001700185452 1178523697 /nfs/dbraw/zinc/52/36/97/1178523697.db2.gz DFJIXTZVVIUNPU-GHMZBOCLSA-N 0 1 311.342 0.324 20 5 DCBDMN CCOCCC(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001703494954 1179563799 /nfs/dbraw/zinc/56/37/99/1179563799.db2.gz ITMDNDOJFMWHIM-VXGBXAGGSA-N 0 1 313.354 0.185 20 5 DCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cncs1 ZINC001705261795 1180324962 /nfs/dbraw/zinc/32/49/62/1180324962.db2.gz XORNBEAPIBUSEF-HTQZYQBOSA-N 0 1 310.335 0.187 20 5 DCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nc(C(F)F)no1 ZINC001714532657 1181404167 /nfs/dbraw/zinc/40/41/67/1181404167.db2.gz DLGOSMPIZUIHOA-RNFRBKRXSA-N 0 1 319.268 0.220 20 5 DCBDMN CCn1cc(CN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)nn1 ZINC001714667182 1181468998 /nfs/dbraw/zinc/46/89/98/1181468998.db2.gz VLINMFRPXOKCFH-CHWSQXEVSA-N 0 1 322.369 0.044 20 5 DCBDMN CC(C)SCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001722056855 1184155465 /nfs/dbraw/zinc/15/54/65/1184155465.db2.gz VCRRRXIWYVZBPZ-NXEZZACHSA-N 0 1 315.395 0.558 20 5 DCBDMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nnc(C)o1 ZINC001731306878 1185255074 /nfs/dbraw/zinc/25/50/74/1185255074.db2.gz LVQWTZKDAJTBQS-GHMZBOCLSA-N 0 1 311.342 0.371 20 5 DCBDMN CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)CC(C)(C)O ZINC001731905562 1185563386 /nfs/dbraw/zinc/56/33/86/1185563386.db2.gz JPXDJLZFGIYSRR-UHFFFAOYSA-N 0 1 313.358 0.037 20 5 DCBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1ccccc1 ZINC001737132257 1187258016 /nfs/dbraw/zinc/25/80/16/1187258016.db2.gz IQSBUBHUSBYZGP-ZIAGYGMSSA-N 0 1 319.361 0.859 20 5 DCBDMN COCCC1(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001737726432 1187394257 /nfs/dbraw/zinc/39/42/57/1187394257.db2.gz UBFGVYPLISJYNM-GHMZBOCLSA-N 0 1 313.354 0.043 20 5 DCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1)c1cc[nH]c1 ZINC001738174933 1187488556 /nfs/dbraw/zinc/48/85/56/1187488556.db2.gz SIKFTWVIRFCMBN-VXGBXAGGSA-N 0 1 320.349 0.839 20 5 DCBDMN O=C(NCC1(NC(=O)C2(C3CC3)CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001738751246 1187647653 /nfs/dbraw/zinc/64/76/53/1187647653.db2.gz MFFBZJUQPFPIAW-VXGBXAGGSA-N 0 1 321.377 0.997 20 5 DCBDMN C=C/C(C)=C/CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001739019548 1187721452 /nfs/dbraw/zinc/72/14/52/1187721452.db2.gz VHWZKBICMDRMAH-LGSVWZNTSA-N 0 1 307.350 0.939 20 5 DCBDMN CCOCCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001739825022 1187854815 /nfs/dbraw/zinc/85/48/15/1187854815.db2.gz JOURZYHZKOVMRL-WRWGMCAJSA-N 0 1 313.354 0.089 20 5 DCBDMN O=C(CCC(F)F)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001739824224 1187854870 /nfs/dbraw/zinc/85/48/70/1187854870.db2.gz DAZGSOMACKFBIM-UTINFBMNSA-N 0 1 319.308 0.708 20 5 DCBDMN Cc1noc(C)c1CC(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001742859456 1188068262 /nfs/dbraw/zinc/06/82/62/1188068262.db2.gz RXFURMNTZWEHMB-VXGBXAGGSA-N 0 1 324.337 0.122 20 5 DCBDMN CCCCOCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001744376070 1188202207 /nfs/dbraw/zinc/20/22/07/1188202207.db2.gz ZBBLPCTXINFXNX-DDHJBXDOSA-N 0 1 313.354 0.232 20 5 DCBDMN Cc1noc(C)c1CN(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001753853381 1188665231 /nfs/dbraw/zinc/66/52/31/1188665231.db2.gz WDKCWSBDTIOBCN-DGCLKSJQSA-N 0 1 310.354 0.847 20 5 DCBDMN CCc1c(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])ccn1C ZINC001757986450 1189661979 /nfs/dbraw/zinc/66/19/79/1189661979.db2.gz TVHDTRSPRRCQIL-ZYHUDNBSSA-N 0 1 308.338 0.099 20 5 DCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCC(C)(F)F ZINC001758930514 1190041537 /nfs/dbraw/zinc/04/15/37/1190041537.db2.gz FBIXBSKBNIXKDC-RKDXNWHRSA-N 0 1 307.297 0.662 20 5 DCBDMN CN(CCNC(=O)c1conc1C1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001758978540 1190055175 /nfs/dbraw/zinc/05/51/75/1190055175.db2.gz CEANGVORPPJERI-MWLCHTKSSA-N 0 1 322.321 0.405 20 5 DCBDMN Cc1cc(CC(=O)N(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001759550724 1190208538 /nfs/dbraw/zinc/20/85/38/1190208538.db2.gz WEIWQWJHXMLUMI-VXGBXAGGSA-N 0 1 324.337 0.108 20 5 DCBDMN CCc1nocc1C(=O)N(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001759557357 1190210203 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DCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1cnco1 ZINC001062990074 755071517 /nfs/dbraw/zinc/07/15/17/755071517.db2.gz BFMZKIZKMHICNL-RKDXNWHRSA-N 0 1 308.294 0.109 20 5 DCBDMN O=C(Cc1ccc[nH]1)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001063238364 755134359 /nfs/dbraw/zinc/13/43/59/755134359.db2.gz GWFQBMIZBQTXRO-VXGBXAGGSA-N 0 1 320.349 0.378 20 5 DCBDMN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CN(C)CCN1C ZINC000823784650 758273967 /nfs/dbraw/zinc/27/39/67/758273967.db2.gz OFMGAWUKSYROII-GWCFXTLKSA-N 0 1 307.354 0.354 20 5 DCBDMN Cc1nc(CC(=O)NCCN(C)c2ncccc2[N+](=O)[O-])n[nH]1 ZINC001100063217 760014325 /nfs/dbraw/zinc/01/43/25/760014325.db2.gz WQSPIQKJVCTUEG-UHFFFAOYSA-N 0 1 319.325 0.211 20 5 DCBDMN O=C(CCn1cncn1)NCCNCc1csc([N+](=O)[O-])c1 ZINC001123659899 768040926 /nfs/dbraw/zinc/04/09/26/768040926.db2.gz SIMBWWOCANEMAG-UHFFFAOYSA-N 0 1 324.366 0.544 20 5 DCBDMN CC[C@@](N)(CO)Nc1cc(OC)c(C(=O)OC)cc1[N+](=O)[O-] ZINC001170864275 766155469 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O=c1c([N+](=O)[O-])cc(Br)cn1Cc1nnc[nH]1 ZINC001188980280 772404465 /nfs/dbraw/zinc/40/44/65/772404465.db2.gz WVUFARATAYQSJG-UHFFFAOYSA-N 0 1 300.072 0.685 20 5 DCBDMN NC(=O)c1nc(NCCNC(=O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC001164237558 772629285 /nfs/dbraw/zinc/62/92/85/772629285.db2.gz DZSINPFNPZKNAL-UHFFFAOYSA-N 0 1 321.215 0.179 20 5 DCBDMN O=C1NCCN(c2nc3ccccc3cc2[N+](=O)[O-])C12CNC2 ZINC001165302603 772721600 /nfs/dbraw/zinc/72/16/00/772721600.db2.gz UBMIOGUXHLSWDW-UHFFFAOYSA-N 0 1 313.317 0.421 20 5 DCBDMN C[C@@H](O)C(C)(C)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001195678086 773455845 /nfs/dbraw/zinc/45/58/45/773455845.db2.gz SFNCFKAICQGNIS-SSDOTTSWSA-N 0 1 306.344 0.014 20 5 DCBDMN CN(CCCNC(=O)c1ncn[nH]1)c1ncc([N+](=O)[O-])cc1F ZINC001095608850 775259323 /nfs/dbraw/zinc/25/93/23/775259323.db2.gz ULNUVJLYRJVFPW-UHFFFAOYSA-N 0 1 323.288 0.503 20 5 DCBDMN CN(CCCNC(=O)c1nc[nH]n1)c1ncc([N+](=O)[O-])cc1F ZINC001095608850 775259332 /nfs/dbraw/zinc/25/93/32/775259332.db2.gz 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NC(=O)NC(=O)CCNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000566910845 291328530 /nfs/dbraw/zinc/32/85/30/291328530.db2.gz JQWADKNRBGTRAM-UHFFFAOYSA-N 0 1 306.282 0.146 20 5 DCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H](c3nc[nH]n3)C2)c1 ZINC000425217354 240318178 /nfs/dbraw/zinc/31/81/78/240318178.db2.gz USYANFZWBCLYQE-VIFPVBQESA-N 0 1 323.334 0.891 20 5 DCBDMN O=C([O-])c1ccnc(N2CCN(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000567977760 291394720 /nfs/dbraw/zinc/39/47/20/291394720.db2.gz LOLCFXFDSUJSFZ-UHFFFAOYSA-N 0 1 318.293 0.738 20 5 DCBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000288535039 220213472 /nfs/dbraw/zinc/21/34/72/220213472.db2.gz ONOPXIDGTATDQZ-LLVKDONJSA-N 0 1 322.365 0.754 20 5 DCBDMN C[C@@](CO)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000346344474 254039213 /nfs/dbraw/zinc/03/92/13/254039213.db2.gz UZWQELHPMIFWEB-AWEZNQCLSA-N 0 1 304.306 0.998 20 5 DCBDMN Cn1nc([N+](=O)[O-])cc1-c1nc([C@H]2CN3CCC[C@@H]3CO2)no1 ZINC000346801701 254097130 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20 5 DCBDMN NC(=O)[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000053894032 395891014 /nfs/dbraw/zinc/89/10/14/395891014.db2.gz NMWZXRFHLLHNOY-ZETCQYMHSA-N 0 1 303.278 0.419 20 5 DCBDMN COCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000272475757 395893556 /nfs/dbraw/zinc/89/35/56/395893556.db2.gz ZYCDSSAORXMSTR-JTQLQIEISA-N 0 1 309.322 0.751 20 5 DCBDMN COC(=O)C1(O)CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272560671 395899519 /nfs/dbraw/zinc/89/95/19/395899519.db2.gz NQZZLYCOVRUYFQ-UHFFFAOYSA-N 0 1 324.289 0.441 20 5 DCBDMN CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273423802 395920547 /nfs/dbraw/zinc/92/05/47/395920547.db2.gz KIVSVTHPUPAMLN-LLVKDONJSA-N 0 1 308.338 0.276 20 5 DCBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC1(CO)CCC1 ZINC000272150404 395873345 /nfs/dbraw/zinc/87/33/45/395873345.db2.gz XAIHWAUNULXVEY-UHFFFAOYSA-N 0 1 304.299 0.927 20 5 DCBDMN CC(C)N(CC(N)=O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000053420774 395883372 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Cc1noc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000595304797 396583979 /nfs/dbraw/zinc/58/39/79/396583979.db2.gz CNGRXNSKVBMPGZ-RYUDHWBXSA-N 0 1 310.354 0.922 20 5 DCBDMN CCc1nn(C)c(N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000373177953 396572275 /nfs/dbraw/zinc/57/22/75/396572275.db2.gz RNPCSMMWTBIKQE-OLZOCXBDSA-N 0 1 323.397 0.926 20 5 DCBDMN C[N@@H+]1CC[C@]2(CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)C1 ZINC000293957062 396644388 /nfs/dbraw/zinc/64/43/88/396644388.db2.gz SRAIAONPHFRIFD-AWEZNQCLSA-N 0 1 306.322 0.863 20 5 DCBDMN C[N@H+]1CC[C@]2(CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)C1 ZINC000293957062 396644389 /nfs/dbraw/zinc/64/43/89/396644389.db2.gz SRAIAONPHFRIFD-AWEZNQCLSA-N 0 1 306.322 0.863 20 5 DCBDMN O=C1C[C@@H](C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CN1 ZINC000595374760 396597427 /nfs/dbraw/zinc/59/74/27/396597427.db2.gz JILBDJAIJXQRBO-MNOVXSKESA-N 0 1 305.338 0.612 20 5 DCBDMN CCc1nc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295224781 396685856 /nfs/dbraw/zinc/68/58/56/396685856.db2.gz AXJUEZDBXZCTGO-UHFFFAOYSA-N 0 1 305.294 0.971 20 5 DCBDMN Cc1ccc(NCCCNC(=O)C2(O)CNC2)c([N+](=O)[O-])c1 ZINC000595939017 396687878 /nfs/dbraw/zinc/68/78/78/396687878.db2.gz SQVATMPLTGRJFL-UHFFFAOYSA-N 0 1 308.338 0.156 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](CC(N)=O)C2)c1[N+](=O)[O-] ZINC000588805509 396693811 /nfs/dbraw/zinc/69/38/11/396693811.db2.gz LTAVKIUCMUPTMI-MRVPVSSYSA-N 0 1 309.326 0.779 20 5 DCBDMN Cc1[nH]nc(C(=O)N(CCOCCO)C(C)C)c1[N+](=O)[O-] ZINC000588832510 396694431 /nfs/dbraw/zinc/69/44/31/396694431.db2.gz NSJUKPISXCPLEN-UHFFFAOYSA-N 0 1 300.315 0.486 20 5 DCBDMN O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588863728 396695586 /nfs/dbraw/zinc/69/55/86/396695586.db2.gz VIBUYIQVZFDTAX-NEPJUHHUSA-N 0 1 321.333 0.582 20 5 DCBDMN O=C1CC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CN1 ZINC000314234817 396779632 /nfs/dbraw/zinc/77/96/32/396779632.db2.gz QOLMNOYVEDHKGJ-ZETCQYMHSA-N 0 1 317.298 0.291 20 5 DCBDMN CCN(CC(=O)N(C)C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000610922235 396783476 /nfs/dbraw/zinc/78/34/76/396783476.db2.gz OPNDUQXIQCENIT-UHFFFAOYSA-N 0 1 311.342 0.992 20 5 DCBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCn1ccnn1 ZINC000315062024 396788237 /nfs/dbraw/zinc/78/82/37/396788237.db2.gz AAQMQJNATOMJFQ-UHFFFAOYSA-N 0 1 315.286 0.304 20 5 DCBDMN COc1ccc(C(=O)Nc2n[nH]c3ncnn23)cc1[N+](=O)[O-] ZINC000590378403 396763648 /nfs/dbraw/zinc/76/36/48/396763648.db2.gz BXTKFYIVPBNCAC-UHFFFAOYSA-N 0 1 303.238 0.622 20 5 DCBDMN Cc1nc(CC(=O)NCCNc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000596666660 396813012 /nfs/dbraw/zinc/81/30/12/396813012.db2.gz KMQQJIRDWHYYKF-UHFFFAOYSA-N 0 1 304.310 0.792 20 5 DCBDMN CCn1cnnc1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611556438 396886147 /nfs/dbraw/zinc/88/61/47/396886147.db2.gz YNTDUIXXHWOZPK-UHFFFAOYSA-N 0 1 305.294 0.884 20 5 DCBDMN O=C(COc1ccccc1[N+](=O)[O-])NCCN1CC[C@@H](O)C1 ZINC000600543707 396886893 /nfs/dbraw/zinc/88/68/93/396886893.db2.gz CGYVOBSERABXSY-LLVKDONJSA-N 0 1 309.322 0.156 20 5 DCBDMN CNc1c(C(=O)NCCN2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000600809190 396947445 /nfs/dbraw/zinc/94/74/45/396947445.db2.gz VUOSAURNMJUQAT-JTQLQIEISA-N 0 1 308.338 0.433 20 5 DCBDMN COC(=O)[C@H]1CNCCCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000592551604 397209964 /nfs/dbraw/zinc/20/99/64/397209964.db2.gz WYTMFEIYUTYWNZ-CYBMUJFWSA-N 0 1 321.333 0.880 20 5 DCBDMN [NH3+]CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)F ZINC000383551252 397278181 /nfs/dbraw/zinc/27/81/81/397278181.db2.gz OQTMRMMZWDWGQZ-ZETCQYMHSA-N 0 1 309.294 0.856 20 5 DCBDMN [NH3+]CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)F ZINC000383551251 397278872 /nfs/dbraw/zinc/27/88/72/397278872.db2.gz OQTMRMMZWDWGQZ-SSDOTTSWSA-N 0 1 309.294 0.856 20 5 DCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCCC[C@H]2O)n1 ZINC000599305860 397398251 /nfs/dbraw/zinc/39/82/51/397398251.db2.gz AKRPYAHSBQTVIQ-PSASIEDQSA-N 0 1 318.355 0.300 20 5 DCBDMN CO[C@@]1(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CCOC1 ZINC000602689677 397463667 /nfs/dbraw/zinc/46/36/67/397463667.db2.gz XFRCNLYHTUGGMZ-OAHLLOKOSA-N 0 1 322.365 0.917 20 5 DCBDMN Cc1cccc(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)c1[N+](=O)[O-] ZINC000370890315 397522535 /nfs/dbraw/zinc/52/25/35/397522535.db2.gz CXYRREUGHDJZNS-JTQLQIEISA-N 0 1 318.293 0.630 20 5 DCBDMN O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)c1ccc([N+](=O)[O-])[nH]1 ZINC000594386354 397538057 /nfs/dbraw/zinc/53/80/57/397538057.db2.gz QNPDAOQJKDPDHQ-QMMMGPOBSA-N 0 1 306.282 0.823 20 5 DCBDMN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1COCCN1 ZINC000599920426 397540856 /nfs/dbraw/zinc/54/08/56/397540856.db2.gz JUCSXZQAUOAIDG-GFCCVEGCSA-N 0 1 308.338 0.425 20 5 DCBDMN CCc1[nH]nc(C(=O)N(C)Cc2nnc3n2CCC3)c1[N+](=O)[O-] ZINC000609091367 397760135 /nfs/dbraw/zinc/76/01/35/397760135.db2.gz GXVZKFTVCJGIKT-UHFFFAOYSA-N 0 1 319.325 0.690 20 5 DCBDMN COCC[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000063744359 158031074 /nfs/dbraw/zinc/03/10/74/158031074.db2.gz REXKTNOMYQVAGT-UHFFFAOYSA-N 0 1 311.338 0.999 20 5 DCBDMN CC(C)CN1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000186593540 158532791 /nfs/dbraw/zinc/53/27/91/158532791.db2.gz VOCVQSPNVNUQNV-UHFFFAOYSA-N 0 1 307.354 0.986 20 5 DCBDMN O=C(NCCNC(=O)c1ccccc1F)c1n[nH]cc1[N+](=O)[O-] ZINC000137863738 287028775 /nfs/dbraw/zinc/02/87/75/287028775.db2.gz BJUKPORWZRQVJH-UHFFFAOYSA-N 0 1 321.268 0.617 20 5 DCBDMN CCO[C@H]1COCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000362015499 287217242 /nfs/dbraw/zinc/21/72/42/287217242.db2.gz OHAXVGMUFVXXFS-JSGCOSHPSA-N 0 1 323.349 0.977 20 5 DCBDMN CCN1CCN([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 ZINC000332148553 415269651 /nfs/dbraw/zinc/26/96/51/415269651.db2.gz OFKDJMAVZZLSAN-LLVKDONJSA-N 0 1 322.369 0.170 20 5 DCBDMN CN1CCO[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000332291242 415334276 /nfs/dbraw/zinc/33/42/76/415334276.db2.gz JMGUUYSJIVSABL-CABCVRRESA-N 0 1 307.350 0.988 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCNC(=O)[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC000276039443 415416189 /nfs/dbraw/zinc/41/61/89/415416189.db2.gz SKNBWGNAKUQLHJ-VIFPVBQESA-N 0 1 309.326 0.613 20 5 DCBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000343181077 415489506 /nfs/dbraw/zinc/48/95/06/415489506.db2.gz MOFDRFXLXNGYHJ-ZETCQYMHSA-N 0 1 301.266 0.852 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000353221109 415479643 /nfs/dbraw/zinc/47/96/43/415479643.db2.gz WVRZMKJFLOXWRJ-IUCAKERBSA-N 0 1 317.371 0.217 20 5 DCBDMN Cc1n[nH]c(C(=O)N2C[C@H](N3CCOCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000287368881 415665113 /nfs/dbraw/zinc/66/51/13/415665113.db2.gz NZPBUMIAMNOJFH-MWLCHTKSSA-N 0 1 323.353 0.562 20 5 DCBDMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124591406 415851877 /nfs/dbraw/zinc/85/18/77/415851877.db2.gz RSNZIOJEOADCJE-LLVKDONJSA-N 0 1 322.369 0.747 20 5 DCBDMN CCc1nc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000297218291 415956745 /nfs/dbraw/zinc/95/67/45/415956745.db2.gz VSAFUBSCDCJNLY-UHFFFAOYSA-N 0 1 311.323 0.754 20 5 DCBDMN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000356738566 415980119 /nfs/dbraw/zinc/98/01/19/415980119.db2.gz MUINSLXKRCTYFC-NSHDSACASA-N 0 1 323.353 0.123 20 5 DCBDMN CO[C@@H]1C[C@H](CN(C)C(=O)c2cc([N+](=O)[O-])nn2C)N(C)C1 ZINC000344510018 415934919 /nfs/dbraw/zinc/93/49/19/415934919.db2.gz KNIXUPFPQWYYMX-NXEZZACHSA-N 0 1 311.342 0.119 20 5 DCBDMN CS(=O)(=O)c1ccc(C(=O)NCc2cnc[nH]2)cc1[N+](=O)[O-] ZINC000338197692 416057410 /nfs/dbraw/zinc/05/74/10/416057410.db2.gz REQJKHBVCOWLNE-UHFFFAOYSA-N 0 1 324.318 0.651 20 5 DCBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000357013474 416020813 /nfs/dbraw/zinc/02/08/13/416020813.db2.gz SOLCCAFNRKATMU-UHFFFAOYSA-N 0 1 303.282 0.499 20 5 DCBDMN COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357465971 416085543 /nfs/dbraw/zinc/08/55/43/416085543.db2.gz KGHKEYXATAYLDC-WDEREUQCSA-N 0 1 310.262 0.049 20 5 DCBDMN CCCc1[nH]nc(C(=O)N(C)C[C@H](C)C(=O)NC)c1[N+](=O)[O-] ZINC000175576003 416111008 /nfs/dbraw/zinc/11/10/08/416111008.db2.gz XJPZXQHQVGNLDZ-QMMMGPOBSA-N 0 1 311.342 0.725 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@](F)(CO)C2)c1[N+](=O)[O-] ZINC000338736262 416132593 /nfs/dbraw/zinc/13/25/93/416132593.db2.gz IMVMAPRXRTWESB-GFCCVEGCSA-N 0 1 300.290 0.988 20 5 DCBDMN O=[N+]([O-])c1cnc2ccc(NCCN3CCSCC3)nn21 ZINC000347863325 416225669 /nfs/dbraw/zinc/22/56/69/416225669.db2.gz CDRGRGKXWHJVOR-UHFFFAOYSA-N 0 1 308.367 1.098 20 5 DCBDMN C[C@H](CN(C)C(=O)COc1cccc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC000183434520 416242645 /nfs/dbraw/zinc/24/26/45/416242645.db2.gz MRWNOHRINFMQEB-SECBINFHSA-N 0 1 320.309 0.749 20 5 DCBDMN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCc1cnc[nH]1 ZINC000359130183 416307188 /nfs/dbraw/zinc/30/71/88/416307188.db2.gz KWXGFEGZMQVZSJ-UHFFFAOYSA-N 0 1 317.305 0.754 20 5 DCBDMN O=C(NCc1ncnn1-c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000352157504 416296113 /nfs/dbraw/zinc/29/61/13/416296113.db2.gz XCZNAOXCCNUKRG-UHFFFAOYSA-N 0 1 313.277 0.829 20 5 DCBDMN C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H]1C ZINC000248491026 416333743 /nfs/dbraw/zinc/33/37/43/416333743.db2.gz NSUJYFMDLKPGMP-MNOVXSKESA-N 0 1 323.349 0.828 20 5 DCBDMN C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H]1C ZINC000248491026 416333744 /nfs/dbraw/zinc/33/37/44/416333744.db2.gz NSUJYFMDLKPGMP-MNOVXSKESA-N 0 1 323.349 0.828 20 5 DCBDMN NC(=O)N1CCC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000360267651 416383198 /nfs/dbraw/zinc/38/31/98/416383198.db2.gz XGCUCTJUVKRHJC-SECBINFHSA-N 0 1 322.321 0.821 20 5 DCBDMN CC(C)c1n[nH]c(C(=O)NC(C)(C)c2nn[nH]n2)c1[N+](=O)[O-] ZINC000434238715 416466343 /nfs/dbraw/zinc/46/63/43/416466343.db2.gz FORJTSQSKIEIQH-UHFFFAOYSA-N 0 1 308.302 0.620 20 5 DCBDMN CC(C)Oc1nc(NCCN2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599175637 416610357 /nfs/dbraw/zinc/61/03/57/416610357.db2.gz FTVWVRMGFOUWTP-LLVKDONJSA-N 0 1 310.354 1.256 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CCN(C(=O)CC)C2)c1[N+](=O)[O-] ZINC000425023416 416679078 /nfs/dbraw/zinc/67/90/78/416679078.db2.gz ZSAAWSBAONSGFZ-UHFFFAOYSA-N 0 1 309.326 0.922 20 5 DCBDMN CCc1nncn1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000541880484 416616458 /nfs/dbraw/zinc/61/64/58/416616458.db2.gz OPUMDISNGQCLAE-UHFFFAOYSA-N 0 1 305.294 0.884 20 5 DCBDMN Nc1nc2c(s1)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CC2 ZINC000552003052 416697664 /nfs/dbraw/zinc/69/76/64/416697664.db2.gz LNXRTYFTNUDDCC-YFKPBYRVSA-N 0 1 308.323 0.644 20 5 DCBDMN CCc1[nH]nc(C(=O)N(C)CC2(O)CCOCC2)c1[N+](=O)[O-] ZINC000444380851 416837312 /nfs/dbraw/zinc/83/73/12/416837312.db2.gz HTLQGEDLQNZESU-UHFFFAOYSA-N 0 1 312.326 0.494 20 5 DCBDMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CCN1CC(C)(C)O ZINC000444545748 416847750 /nfs/dbraw/zinc/84/77/50/416847750.db2.gz LKKJSPKFHFVMQF-LLVKDONJSA-N 0 1 324.381 0.851 20 5 DCBDMN CCCN(CC(N)=O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000429129159 416946593 /nfs/dbraw/zinc/94/65/93/416946593.db2.gz QZEPPBMHLRNGCH-GFCCVEGCSA-N 0 1 311.338 0.532 20 5 DCBDMN CC(C)n1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000569596139 417272729 /nfs/dbraw/zinc/27/27/29/417272729.db2.gz WIUCGYBXSJQBJA-ZDUSSCGKSA-N 0 1 308.342 0.719 20 5 DCBDMN O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000452349591 417471229 /nfs/dbraw/zinc/47/12/29/417471229.db2.gz NBUDHVXSNSBFTN-JTQLQIEISA-N 0 1 324.337 0.272 20 5 DCBDMN O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000452349591 417471235 /nfs/dbraw/zinc/47/12/35/417471235.db2.gz NBUDHVXSNSBFTN-JTQLQIEISA-N 0 1 324.337 0.272 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCc3nc(N)ncc3C2)c1[N+](=O)[O-] ZINC000576662447 417627356 /nfs/dbraw/zinc/62/73/56/417627356.db2.gz AYKMCYIXRGEZSV-UHFFFAOYSA-N 0 1 303.282 0.197 20 5 DCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCNC[C@@H]1c1ccccc1 ZINC000424006685 262476954 /nfs/dbraw/zinc/47/69/54/262476954.db2.gz UPQBOKXYSGJTBP-CYBMUJFWSA-N 0 1 315.333 0.964 20 5 DCBDMN C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000420043248 271354609 /nfs/dbraw/zinc/35/46/09/271354609.db2.gz OOFFDRVCKHYTFA-CYBMUJFWSA-N 0 1 312.326 0.128 20 5 DCBDMN O=C(C=Cc1ccccc1[N+](=O)[O-])NC1(c2nn[nH]n2)CC1 ZINC000492035284 272113683 /nfs/dbraw/zinc/11/36/83/272113683.db2.gz WFFYMCPXIVVKKQ-WAYWQWQTSA-N 0 1 300.278 0.927 20 5 DCBDMN CNC(=O)c1ccc(N2CCCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000171681860 277258428 /nfs/dbraw/zinc/25/84/28/277258428.db2.gz SHJCBIPVNHWVBZ-UHFFFAOYSA-N 0 1 322.365 0.459 20 5 DCBDMN COC[C@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000262338510 277594527 /nfs/dbraw/zinc/59/45/27/277594527.db2.gz UCOPBPLGJYWKRG-NSHDSACASA-N 0 1 308.338 0.217 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCO[C@@H](COCC3CC3)C2)c1[N+](=O)[O-] ZINC000548581898 288156906 /nfs/dbraw/zinc/15/69/06/288156906.db2.gz USCJHNBXIVGVDD-LLVKDONJSA-N 0 1 324.337 0.894 20 5 DCBDMN NCC(=O)NCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000582604462 337112605 /nfs/dbraw/zinc/11/26/05/337112605.db2.gz GQYLICXSNBEOME-UHFFFAOYSA-N 0 1 306.322 0.161 20 5 DCBDMN O=C(NC1(c2nn[n-]n2)CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000582642920 337114333 /nfs/dbraw/zinc/11/43/33/337114333.db2.gz OEJTVGZRVWOTND-UHFFFAOYSA-N 0 1 318.249 0.256 20 5 DCBDMN O=C(NC1(c2nn[nH]n2)CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000582642920 337114334 /nfs/dbraw/zinc/11/43/34/337114334.db2.gz OEJTVGZRVWOTND-UHFFFAOYSA-N 0 1 318.249 0.256 20 5 DCBDMN CC[C@@H](C)[N@H+](CC(=O)[O-])C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583149425 337246336 /nfs/dbraw/zinc/24/63/36/337246336.db2.gz PFKQFAPKOGPTGN-MWLCHTKSSA-N 0 1 300.315 0.337 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](CC(N)=O)C2)c1[N+](=O)[O-] ZINC000266920188 523665522 /nfs/dbraw/zinc/66/55/22/523665522.db2.gz HWQZRPOOOQQWCT-QMMMGPOBSA-N 0 1 309.326 0.608 20 5 DCBDMN CN(C)C1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000134948522 524041616 /nfs/dbraw/zinc/04/16/16/524041616.db2.gz OCSVIYCXACMZAI-UHFFFAOYSA-N 0 1 316.321 0.562 20 5 DCBDMN CC(C)CN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000299553730 527994112 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ZINC000955074942 686252177 /nfs/dbraw/zinc/25/21/77/686252177.db2.gz RWLIWPOGCRIOGV-MWLCHTKSSA-N 0 1 324.362 0.400 20 5 DCBDMN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)c2cocn2)CC1 ZINC000956369519 686688943 /nfs/dbraw/zinc/68/89/43/686688943.db2.gz WFOVKHKSPAPQHI-MWLCHTKSSA-N 0 1 322.321 0.451 20 5 DCBDMN CC(C)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1 ZINC000959801396 688220025 /nfs/dbraw/zinc/22/00/25/688220025.db2.gz KEDFZOVBGKRKQN-YVECIDJPSA-N 0 1 309.366 0.615 20 5 DCBDMN O=C(C=C1CCC1)N1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1 ZINC000961338686 688597289 /nfs/dbraw/zinc/59/72/89/688597289.db2.gz HNCQITLAVRLXSX-XJFOESAGSA-N 0 1 319.361 0.679 20 5 DCBDMN O=C(c1ccoc1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000969001796 690448712 /nfs/dbraw/zinc/44/87/12/690448712.db2.gz XHFFIOADKJWQSA-YVECIDJPSA-N 0 1 319.317 0.760 20 5 DCBDMN Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001010134805 691173220 /nfs/dbraw/zinc/17/32/20/691173220.db2.gz JODOPKIFNLFBAI-GHMZBOCLSA-N 0 1 307.306 0.538 20 5 DCBDMN Cc1noc(C)c1C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001010271413 691204914 /nfs/dbraw/zinc/20/49/14/691204914.db2.gz HBDFMELMSIOGCX-GHMZBOCLSA-N 0 1 322.321 0.241 20 5 DCBDMN O=C(NCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccoc1 ZINC001017294608 692881766 /nfs/dbraw/zinc/88/17/66/692881766.db2.gz QMMBKVUAEYEFPY-CHWSQXEVSA-N 0 1 319.317 0.833 20 5 DCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCN(Cc1cnsn1)C2 ZINC001072721298 694657008 /nfs/dbraw/zinc/65/70/08/694657008.db2.gz MANHNIXTXURVAP-GHMZBOCLSA-N 0 1 323.378 0.238 20 5 DCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)COC(C)(C)C ZINC001745106009 1157766732 /nfs/dbraw/zinc/76/67/32/1157766732.db2.gz JAZOFMUGSUYFNP-NXEZZACHSA-N 0 1 301.343 0.041 20 5 DCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCc1ccoc1 ZINC001746885890 1158443041 /nfs/dbraw/zinc/44/30/41/1158443041.db2.gz RLMIUKKNWNLPOE-CHWSQXEVSA-N 0 1 323.349 0.794 20 5 DCBDMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ocnc1C1CC1 ZINC001350018108 1159175156 /nfs/dbraw/zinc/17/51/56/1159175156.db2.gz ZKDRKLUAVITPLP-NXEZZACHSA-N 0 1 322.321 0.453 20 5 DCBDMN CN(CCCN(C)C(=O)C(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC001570207150 1161492363 /nfs/dbraw/zinc/49/23/63/1161492363.db2.gz GKOJFDDCFMFGFJ-UHFFFAOYSA-N 0 1 308.338 0.360 20 5 DCBDMN C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)c1[n-]nc([N+](=O)[O-])c1Cl ZINC001576909120 1164526327 /nfs/dbraw/zinc/52/63/27/1164526327.db2.gz PIDFDSDVECXZKG-WDSKDSINSA-N 0 1 317.733 0.814 20 5 DCBDMN Nc1cc([N+](=O)[O-])ccc1C(=O)NCCOCc1c[nH]nn1 ZINC001577743537 1164777959 /nfs/dbraw/zinc/77/79/59/1164777959.db2.gz ZHELZRYDHBYSMI-UHFFFAOYSA-N 0 1 306.282 0.242 20 5 DCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccccc1F ZINC001580759800 1165712326 /nfs/dbraw/zinc/71/23/26/1165712326.db2.gz JEIQHQSRHDWOPC-ZYHUDNBSSA-N 0 1 309.297 0.679 20 5 DCBDMN CCC1(C(=O)NCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)CC1 ZINC001581521608 1165839686 /nfs/dbraw/zinc/83/96/86/1165839686.db2.gz AMPKXMKROIUUTL-VXGBXAGGSA-N 0 1 309.366 0.949 20 5 DCBDMN CCc1occc1C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001583265199 1166235860 /nfs/dbraw/zinc/23/58/60/1166235860.db2.gz IGAOOMLPZDIPNB-BLDJZWNYSA-N 0 1 321.333 0.909 20 5 DCBDMN Cc1nc(C(=O)NC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)o1 ZINC001583311726 1166242941 /nfs/dbraw/zinc/24/29/41/1166242941.db2.gz WMDMUBBAIJBSIL-ANDSXOESSA-N 0 1 322.321 0.359 20 5 DCBDMN C[C@H](C(=O)NC1CCCC1)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001588972427 1166624489 /nfs/dbraw/zinc/62/44/89/1166624489.db2.gz KLJIQXMUOSTAIF-SSDOTTSWSA-N 0 1 320.313 0.591 20 5 DCBDMN CCCCCCNC(=O)Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001590595082 1166946124 /nfs/dbraw/zinc/94/61/24/1166946124.db2.gz RYCRSMCKUZYIDL-UHFFFAOYSA-N 0 1 322.329 0.668 20 5 DCBDMN C[NH+](C)C[C@](C)(O)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591012220 1167079116 /nfs/dbraw/zinc/07/91/16/1167079116.db2.gz MNINNXMGUFXGJN-CYBMUJFWSA-N 0 1 321.341 0.499 20 5 DCBDMN C[NH+](C)C[C@](C)(O)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591012220 1167079120 /nfs/dbraw/zinc/07/91/20/1167079120.db2.gz MNINNXMGUFXGJN-CYBMUJFWSA-N 0 1 321.341 0.499 20 5 DCBDMN CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001591144957 1167113394 /nfs/dbraw/zinc/11/33/94/1167113394.db2.gz GWMXMOFFIHUNAH-GHMZBOCLSA-N 0 1 302.294 0.490 20 5 DCBDMN O=C(OCCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[nH]n2)o1 ZINC001593291393 1167764572 /nfs/dbraw/zinc/76/45/72/1167764572.db2.gz NGWZIKXGEONFDS-UHFFFAOYSA-N 0 1 319.237 0.421 20 5 DCBDMN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCCCc1nc[nH]n1 ZINC001593465630 1167853937 /nfs/dbraw/zinc/85/39/37/1167853937.db2.gz SSLCMKDQRNMSLQ-UHFFFAOYSA-N 0 1 316.285 0.333 20 5 DCBDMN CC(C)Cn1[nH]c(CC(=O)Nc2cc([N+](=O)[O-])n[nH]2)cc1=O ZINC001595864349 1167980089 /nfs/dbraw/zinc/98/00/89/1167980089.db2.gz PDZUMIUVDMKMQV-UHFFFAOYSA-N 0 1 308.298 0.645 20 5 DCBDMN CCC[C@@H](C)NC(=O)[C@H](C)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001604137479 1169503523 /nfs/dbraw/zinc/50/35/23/1169503523.db2.gz OHGCHLSHWXBTFC-SFYZADRCSA-N 0 1 322.329 0.837 20 5 DCBDMN Cc1nc(CCNc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])n[nH]1 ZINC001606042074 1170061417 /nfs/dbraw/zinc/06/14/17/1170061417.db2.gz JTRKUYXELPWMKX-UHFFFAOYSA-N 0 1 315.297 0.856 20 5 DCBDMN O=C([O-])[C@@H]1C[C@H](O)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001608603162 1170714444 /nfs/dbraw/zinc/71/44/44/1170714444.db2.gz YVDMXKZGXFSXDO-KGYLQXTDSA-N 0 1 310.306 0.396 20 5 DCBDMN C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C(=O)[O-])C1 ZINC001610136157 1171170064 /nfs/dbraw/zinc/17/00/64/1171170064.db2.gz AKNQUFRMYIXPAQ-NSHDSACASA-N 0 1 307.306 0.683 20 5 DCBDMN C[N@H+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H](C(=O)[O-])C1 ZINC001610137092 1171172481 /nfs/dbraw/zinc/17/24/81/1171172481.db2.gz SXCWQPFUTGUHHN-SNVBAGLBSA-N 0 1 322.321 0.265 20 5 DCBDMN COC[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC001634621445 1171679983 /nfs/dbraw/zinc/67/99/83/1171679983.db2.gz GMMILCZBOCJJPK-LLVKDONJSA-N 0 1 320.309 0.544 20 5 DCBDMN C[C@@H](O)[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCO1 ZINC001637852475 1171779747 /nfs/dbraw/zinc/77/97/47/1171779747.db2.gz RGGHULKGOZAWKI-PELKAZGASA-N 0 1 320.305 0.693 20 5 DCBDMN COc1cc(C(=O)N[C@H](CO)Cc2cnc[nH]2)ccc1[N+](=O)[O-] ZINC001643132200 1171966149 /nfs/dbraw/zinc/96/61/49/1171966149.db2.gz BAEJSEZJRPDPPR-NSHDSACASA-N 0 1 320.305 0.660 20 5 DCBDMN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H](c2nn[nH]n2)C1 ZINC001643386615 1171973966 /nfs/dbraw/zinc/97/39/66/1171973966.db2.gz FVKXZEPNCKWUAL-ZETCQYMHSA-N 0 1 306.257 0.877 20 5 DCBDMN O=C(c1cc([N+](=O)[O-])ccc1[O-])N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001644702395 1172017264 /nfs/dbraw/zinc/01/72/64/1172017264.db2.gz AYEYWXZUMIJVCB-NWDGAFQWSA-N 0 1 321.333 0.582 20 5 DCBDMN CCOC(=O)CC1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)COC1 ZINC001648313810 1173070998 /nfs/dbraw/zinc/07/09/98/1173070998.db2.gz YPKLGDPHPVWLEP-UHFFFAOYSA-N 0 1 324.289 0.752 20 5 DCBDMN Cc1ccc(NC(=O)[C@H]2CN3CCN2C[C@H]3C)c(N)c1[N+](=O)[O-] ZINC001653218157 1173782886 /nfs/dbraw/zinc/78/28/86/1173782886.db2.gz VDENLEHCELWPNF-ZYHUDNBSSA-N 0 1 319.365 0.812 20 5 DCBDMN Nc1cn[nH]c1[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC001653682466 1173792984 /nfs/dbraw/zinc/79/29/84/1173792984.db2.gz NSNGBIGTYHOLOM-SECBINFHSA-N 0 1 319.325 0.503 20 5 DCBDMN Cn1cc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)c([N+](=O)[O-])n1 ZINC001653723883 1173793969 /nfs/dbraw/zinc/79/39/69/1173793969.db2.gz PZQWQOHGRHTILC-GXTWGEPZSA-N 0 1 310.354 0.738 20 5 DCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2cccc(N)c2)n1 ZINC001655070347 1173814875 /nfs/dbraw/zinc/81/48/75/1173814875.db2.gz PJAMMKQOZCIASZ-UHFFFAOYSA-N 0 1 311.323 0.389 20 5 DCBDMN Cc1ccc(CNC[C@@H](O)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC001658694824 1173924641 /nfs/dbraw/zinc/92/46/41/1173924641.db2.gz LHIAARLAICLIAW-LLVKDONJSA-N 0 1 302.352 0.398 20 5 DCBDMN C/C(=C/C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC001688040811 1176340531 /nfs/dbraw/zinc/34/05/31/1176340531.db2.gz BNWCBGGQVSUULL-QBLSXCJESA-N 0 1 307.350 0.771 20 5 DCBDMN CN(C(=O)CCCC1CC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001689666409 1176999850 /nfs/dbraw/zinc/99/98/50/1176999850.db2.gz KKUJQKFJDVGVRM-CHWSQXEVSA-N 0 1 309.366 0.901 20 5 DCBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1CC(F)(F)C1 ZINC001703579330 1179602635 /nfs/dbraw/zinc/60/26/35/1179602635.db2.gz YCMANEZOEGVVQR-NXEZZACHSA-N 0 1 319.308 0.662 20 5 DCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1ccccc1 ZINC001704203587 1179929633 /nfs/dbraw/zinc/92/96/33/1179929633.db2.gz VPNDRMDRCOSLQT-CHWSQXEVSA-N 0 1 305.334 0.469 20 5 DCBDMN CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1ccsn1 ZINC001713603486 1180960126 /nfs/dbraw/zinc/96/01/26/1180960126.db2.gz KVOZNSOKLIRUPS-UHFFFAOYSA-N 0 1 324.366 0.647 20 5 DCBDMN Cc1ccc(C(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1C ZINC001721061435 1183809740 /nfs/dbraw/zinc/80/97/40/1183809740.db2.gz LFMAARIZSHNLDW-ZYHUDNBSSA-N 0 1 308.338 0.187 20 5 DCBDMN O=C(CCCF)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001735512316 1186909203 /nfs/dbraw/zinc/90/92/03/1186909203.db2.gz RDNLNCSEFGUPQQ-VXGBXAGGSA-N 0 1 313.329 0.676 20 5 DCBDMN CC(C)c1nn(C)cc1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001736741584 1187080061 /nfs/dbraw/zinc/08/00/61/1187080061.db2.gz QLQPFJPAKITGAH-MWLCHTKSSA-N 0 1 323.353 0.055 20 5 DCBDMN CCC1(C(=O)NC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001737054662 1187226849 /nfs/dbraw/zinc/22/68/49/1187226849.db2.gz XJLOTPZWZKGOGZ-VXGBXAGGSA-N 0 1 309.366 0.949 20 5 DCBDMN CC(C)n1nccc1C(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737725767 1187393561 /nfs/dbraw/zinc/39/35/61/1187393561.db2.gz BSZAAPYUTMWSBZ-ZYHUDNBSSA-N 0 1 323.353 0.317 20 5 DCBDMN CCC1(C(=O)N(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)CC1 ZINC001737880322 1187421907 /nfs/dbraw/zinc/42/19/07/1187421907.db2.gz CCAQVTGPJKAFQZ-VXGBXAGGSA-N 0 1 309.366 0.949 20 5 DCBDMN Cc1cc(C(=O)N(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])ccn1 ZINC001738358297 1187518187 /nfs/dbraw/zinc/51/81/87/1187518187.db2.gz PSHMDMACEAGNLK-CHWSQXEVSA-N 0 1 320.349 0.586 20 5 DCBDMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cn[nH]c1 ZINC001743857221 1188168447 /nfs/dbraw/zinc/16/84/47/1188168447.db2.gz MISOZBOTOATLFN-GHMZBOCLSA-N 0 1 309.326 0.043 20 5 DCBDMN Cc1cc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)oc1C ZINC001747772410 1188290718 /nfs/dbraw/zinc/29/07/18/1188290718.db2.gz USSTWFQQNCRKHG-GHMZBOCLSA-N 0 1 321.333 0.940 20 5 DCBDMN Cc1cc(C)c(C(=O)NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001758151860 1189756322 /nfs/dbraw/zinc/75/63/22/1189756322.db2.gz SYOBQVWKGAGXFR-GHMZBOCLSA-N 0 1 309.322 0.798 20 5 DCBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccncc1 ZINC001758369525 1189858497 /nfs/dbraw/zinc/85/84/97/1189858497.db2.gz IPDXOPJUHCNCMN-VXGBXAGGSA-N 0 1 306.322 0.325 20 5 DCBDMN O=C(CCC(F)(F)F)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001758696394 1189962591 /nfs/dbraw/zinc/96/25/91/1189962591.db2.gz HTHGNQOMISVPDH-BZNPZCIMSA-N 0 1 323.271 0.758 20 5 DCBDMN CCc1ncoc1C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001759699615 1190274388 /nfs/dbraw/zinc/27/43/88/1190274388.db2.gz SLBONRJFYKNLRT-IDFWJGBYSA-N 0 1 322.321 0.304 20 5 DCBDMN CN1CCO[C@@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@@H]21 ZINC001164669312 719415274 /nfs/dbraw/zinc/41/52/74/719415274.db2.gz LNIWAZZREQYZOS-NWDGAFQWSA-N 0 1 303.322 0.990 20 5 DCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2ncc(C3CC3)o2)C1 ZINC001042704889 751850414 /nfs/dbraw/zinc/85/04/14/751850414.db2.gz AIXIEVNFBVSVHP-VXGBXAGGSA-N 0 1 320.349 0.860 20 5 DCBDMN Cc1csc(CN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001042705827 751852057 /nfs/dbraw/zinc/85/20/57/751852057.db2.gz YXJQMHUTXCYWMX-GHMZBOCLSA-N 0 1 310.379 0.759 20 5 DCBDMN CC[C@@H](C[C@@H](C)O)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001213471831 748479803 /nfs/dbraw/zinc/47/98/03/748479803.db2.gz WNJDCFJALFZUOT-BDAKNGLRSA-N 0 1 303.340 0.818 20 5 DCBDMN Cc1nn[nH]c1C(=O)N(C)CCN(C)c1ncccc1[N+](=O)[O-] ZINC001105515056 749856276 /nfs/dbraw/zinc/85/62/76/749856276.db2.gz QWLSDPHXEZWFBB-UHFFFAOYSA-N 0 1 319.325 0.625 20 5 DCBDMN O=C(NC[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1)c1ncn[nH]1 ZINC001046432257 753711644 /nfs/dbraw/zinc/71/16/44/753711644.db2.gz YKCPJEHULMGFGE-DTORHVGOSA-N 0 1 317.309 0.728 20 5 DCBDMN O=C(NC[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1)c1nc[nH]n1 ZINC001046432257 753711648 /nfs/dbraw/zinc/71/16/48/753711648.db2.gz YKCPJEHULMGFGE-DTORHVGOSA-N 0 1 317.309 0.728 20 5 DCBDMN O=C(Cc1cnoc1)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001064125349 755322332 /nfs/dbraw/zinc/32/23/32/755322332.db2.gz KXLUFTZILUBGKH-GHMZBOCLSA-N 0 1 322.321 0.037 20 5 DCBDMN CCOC(=O)c1cnc(NC[C@H]2COCCN2)c([N+](=O)[O-])c1 ZINC001170034736 761633219 /nfs/dbraw/zinc/63/32/19/761633219.db2.gz FMQQMEXGIBPQHW-JTQLQIEISA-N 0 1 310.310 0.567 20 5 DCBDMN O=C(NCCN(c1ncccc1[N+](=O)[O-])C1CC1)c1ncn[nH]1 ZINC001101371796 764073899 /nfs/dbraw/zinc/07/38/99/764073899.db2.gz BAVIGJSNRSNUHC-UHFFFAOYSA-N 0 1 317.309 0.507 20 5 DCBDMN O=C(NCCN(c1ncccc1[N+](=O)[O-])C1CC1)c1nc[nH]n1 ZINC001101371796 764073906 /nfs/dbraw/zinc/07/39/06/764073906.db2.gz BAVIGJSNRSNUHC-UHFFFAOYSA-N 0 1 317.309 0.507 20 5 DCBDMN Cc1ncc(C(=O)N(C)CCNc2ncc([N+](=O)[O-])c(N)n2)[nH]1 ZINC001101532291 764136894 /nfs/dbraw/zinc/13/68/94/764136894.db2.gz RUPVRIDANAOTHN-UHFFFAOYSA-N 0 1 320.313 0.183 20 5 DCBDMN CN(CCNc1ncccc1[N+](=O)[O-])C(=O)Cc1ccn[nH]1 ZINC001101535262 764139795 /nfs/dbraw/zinc/13/97/95/764139795.db2.gz ZRQGDFOHTGQHGN-UHFFFAOYSA-N 0 1 304.310 0.826 20 5 DCBDMN O=C(NCCNCc1ccccc1[N+](=O)[O-])c1n[nH]cc1F ZINC001133481139 764976689 /nfs/dbraw/zinc/97/66/89/764976689.db2.gz QZIBZYGODFVJAA-UHFFFAOYSA-N 0 1 307.285 0.977 20 5 DCBDMN Nc1nccnc1C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001125029001 768340816 /nfs/dbraw/zinc/34/08/16/768340816.db2.gz DVSWXXGUEBWVJI-UHFFFAOYSA-N 0 1 316.321 0.487 20 5 DCBDMN Cc1[nH]nc(C(=O)N2C[C@](C)(CO)[C@](C)(CO)C2)c1[N+](=O)[O-] ZINC001118889621 766460599 /nfs/dbraw/zinc/46/05/99/766460599.db2.gz OSFMCFQYECDSKQ-BETUJISGSA-N 0 1 312.326 0.079 20 5 DCBDMN COCc1nc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])n[nH]1 ZINC001146260601 767424331 /nfs/dbraw/zinc/42/43/31/767424331.db2.gz YEZMDVGHZANGEV-UHFFFAOYSA-N 0 1 323.284 0.857 20 5 DCBDMN COCc1nnc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])[nH]1 ZINC001146260601 767424339 /nfs/dbraw/zinc/42/43/39/767424339.db2.gz YEZMDVGHZANGEV-UHFFFAOYSA-N 0 1 323.284 0.857 20 5 DCBDMN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)n1 ZINC001147352421 767722062 /nfs/dbraw/zinc/72/20/62/767722062.db2.gz LLKAQUIBFHBNLY-RISCZKNCSA-N 0 1 321.381 0.662 20 5 DCBDMN Cc1n[nH]c(C(=O)NC[C@@H]2CCCCN2CCO)c1[N+](=O)[O-] ZINC001141281406 768573338 /nfs/dbraw/zinc/57/33/38/768573338.db2.gz XBQRVECZXAHIFW-JTQLQIEISA-N 0 1 311.342 0.203 20 5 DCBDMN Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)C1=NC(=O)N(C)C1 ZINC001094091497 768857192 /nfs/dbraw/zinc/85/71/92/768857192.db2.gz SULRDDPHIBFYHY-UHFFFAOYSA-N 0 1 320.309 0.579 20 5 DCBDMN O=C(Cc1nnc[nH]1)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094572569 769108972 /nfs/dbraw/zinc/10/89/72/769108972.db2.gz WQMPGMFMWHZNIL-UHFFFAOYSA-N 0 1 304.310 0.874 20 5 DCBDMN CN1CC(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)=NC1=O ZINC001151594592 769375359 /nfs/dbraw/zinc/37/53/59/769375359.db2.gz BPVLMJAIEYBJNQ-CQSZACIVSA-N 0 1 320.305 0.671 20 5 DCBDMN C[C@@](CO)(NC(=O)c1cnncc1O)c1cccc([N+](=O)[O-])c1 ZINC001151596780 769375531 /nfs/dbraw/zinc/37/55/31/769375531.db2.gz SVEGPJDCVSHDAZ-AWEZNQCLSA-N 0 1 318.289 0.728 20 5 DCBDMN CC[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001153245683 769760396 /nfs/dbraw/zinc/76/03/96/769760396.db2.gz KRRXCXUQTUNALC-CYBMUJFWSA-N 0 1 320.349 0.535 20 5 DCBDMN CCN1CC[C@@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001153245683 769760403 /nfs/dbraw/zinc/76/04/03/769760403.db2.gz KRRXCXUQTUNALC-CYBMUJFWSA-N 0 1 320.349 0.535 20 5 DCBDMN O=C(NCC1(Nc2ccc([N+](=O)[O-])cn2)CC1)c1ncn[nH]1 ZINC001110200194 770338015 /nfs/dbraw/zinc/33/80/15/770338015.db2.gz WDFUXKOBOLYOJS-UHFFFAOYSA-N 0 1 303.282 0.482 20 5 DCBDMN O=C(NCC1(Nc2ccc([N+](=O)[O-])cn2)CC1)c1nc[nH]n1 ZINC001110200194 770338027 /nfs/dbraw/zinc/33/80/27/770338027.db2.gz WDFUXKOBOLYOJS-UHFFFAOYSA-N 0 1 303.282 0.482 20 5 DCBDMN NCc1nnnn1-c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001158074499 771722081 /nfs/dbraw/zinc/72/20/81/771722081.db2.gz DTSOOKFDDOCNMW-UHFFFAOYSA-N 0 1 306.673 0.626 20 5 DCBDMN COc1cc(N2CC(N(C)[C@H]3CCOC3)C2)ncc1[N+](=O)[O-] ZINC001158731788 771815659 /nfs/dbraw/zinc/81/56/59/771815659.db2.gz YWQKHXGLCSECOZ-JTQLQIEISA-N 0 1 308.338 0.908 20 5 DCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccc2nc[nH]c2c1 ZINC001158844346 771826859 /nfs/dbraw/zinc/82/68/59/771826859.db2.gz DUUYSDOORYZVCF-UHFFFAOYSA-N 0 1 300.278 0.984 20 5 DCBDMN NC(=O)c1ccnc(NCc2noc3c2CNCC3)c1[N+](=O)[O-] ZINC001163129769 772468968 /nfs/dbraw/zinc/46/89/68/772468968.db2.gz NWYNJMIBTFVTRM-UHFFFAOYSA-N 0 1 318.293 0.335 20 5 DCBDMN CCOC(=O)c1cn(-c2c(C)c([N+](=O)[O-])cc[n+]2[O-])nc1CN ZINC001163525098 772535158 /nfs/dbraw/zinc/53/51/58/772535158.db2.gz RXZHUHSDBOCTHU-UHFFFAOYSA-N 0 1 321.293 0.358 20 5 DCBDMN COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H](N)C(F)(F)C1 ZINC001166959264 772889740 /nfs/dbraw/zinc/88/97/40/772889740.db2.gz DBHIOVWLVNEBFZ-VIFPVBQESA-N 0 1 316.264 0.949 20 5 DCBDMN CN1CCN[C@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001211457653 773808561 /nfs/dbraw/zinc/80/85/61/773808561.db2.gz SVZQPPRFZFVFHS-QMMMGPOBSA-N 0 1 308.273 0.755 20 5 DCBDMN Cc1ccnc(N(C)CCCNC(=O)c2cnn[nH]2)c1[N+](=O)[O-] ZINC001095778827 775664261 /nfs/dbraw/zinc/66/42/61/775664261.db2.gz PZMRQCLNHJPYPZ-UHFFFAOYSA-N 0 1 319.325 0.673 20 5 DCBDMN COc1ncc(CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)n1 ZINC001480863198 939035831 /nfs/dbraw/zinc/03/58/31/939035831.db2.gz QTLUDJYSCQFBQN-VXGBXAGGSA-N 0 1 323.353 0.007 20 5 DCBDMN CC(C)c1noc(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001268543221 940225993 /nfs/dbraw/zinc/22/59/93/940225993.db2.gz UVOCDWIJFREFJU-YIZUVKHSSA-N 0 1 323.353 0.620 20 5 DCBDMN COCCC(=O)N[C@H]1C[C@@H](NCc2c([N+](=O)[O-])ncn2C)C1 ZINC001490981190 943694484 /nfs/dbraw/zinc/69/44/84/943694484.db2.gz AZEDQLPGTUBNOU-AOOOYVTPSA-N 0 1 311.342 0.102 20 5 DCBDMN O=C(COCC1CCCC1)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491282119 943890930 /nfs/dbraw/zinc/89/09/30/943890930.db2.gz GOVPNOFLUMOJFU-VXGBXAGGSA-N 0 1 313.354 0.091 20 5 DCBDMN CC(=O)NCC(=O)N(C)CCNCc1ccccc1[N+](=O)[O-] ZINC001317562888 945055200 /nfs/dbraw/zinc/05/52/00/945055200.db2.gz MALFPTJCCMLWIK-UHFFFAOYSA-N 0 1 308.338 0.279 20 5 DCBDMN Cc1cc(C[C@H](C)NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC001319591886 945626543 /nfs/dbraw/zinc/62/65/43/945626543.db2.gz OJYIXJBUDFEPHI-VIFPVBQESA-N 0 1 319.321 0.535 20 5 DCBDMN O=C(NCCNc1ncc([N+](=O)[O-])cc1F)c1[nH]ncc1F ZINC001094104512 947790042 /nfs/dbraw/zinc/79/00/42/947790042.db2.gz NOIMTMBPGDSLJY-UHFFFAOYSA-N 0 1 312.236 0.833 20 5 DCBDMN CN1CC[N@@H+](C)C[C@@H]1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001326692142 948249351 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CCCc1n[nH]c(C(=O)N(C)Cc2n[nH]c(=O)o2)c1[N+](=O)[O-] ZINC000588849618 396695174 /nfs/dbraw/zinc/69/51/74/396695174.db2.gz YJRPORCHCXGZMO-UHFFFAOYSA-N 0 1 310.270 0.631 20 5 DCBDMN O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588863729 396696887 /nfs/dbraw/zinc/69/68/87/396696887.db2.gz VIBUYIQVZFDTAX-NWDGAFQWSA-N 0 1 321.333 0.582 20 5 DCBDMN O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000295527286 396699001 /nfs/dbraw/zinc/69/90/01/396699001.db2.gz RAEQIRBHHHFTCS-GFCCVEGCSA-N 0 1 323.349 0.877 20 5 DCBDMN COCC[N@H+]1CCC[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000589571163 396718519 /nfs/dbraw/zinc/71/85/19/396718519.db2.gz YVBLUOVPJDIABU-JTQLQIEISA-N 0 1 323.353 0.611 20 5 DCBDMN COCCN1CCC[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000589571163 396718522 /nfs/dbraw/zinc/71/85/22/396718522.db2.gz YVBLUOVPJDIABU-JTQLQIEISA-N 0 1 323.353 0.611 20 5 DCBDMN O=[N+]([O-])c1ccc(CN(CCO)CCN2CCOCC2)cc1 ZINC000304741020 396733005 /nfs/dbraw/zinc/73/30/05/396733005.db2.gz UDBIJKZGOXDGNT-UHFFFAOYSA-N 0 1 309.366 0.721 20 5 DCBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1ncc[nH]1 ZINC000312599074 396766486 /nfs/dbraw/zinc/76/64/86/396766486.db2.gz RRBIRMLPXJJOLN-UHFFFAOYSA-N 0 1 300.271 0.936 20 5 DCBDMN C[C@@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000564335019 396824249 /nfs/dbraw/zinc/82/42/49/396824249.db2.gz JFAGTARHYFGGFJ-AOOOYVTPSA-N 0 1 324.337 0.579 20 5 DCBDMN C[C@@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000564335019 396824255 /nfs/dbraw/zinc/82/42/55/396824255.db2.gz JFAGTARHYFGGFJ-AOOOYVTPSA-N 0 1 324.337 0.579 20 5 DCBDMN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000376117651 396878915 /nfs/dbraw/zinc/87/89/15/396878915.db2.gz RYUQFCVGHMLFHB-XSSZXYGBSA-N 0 1 310.228 0.606 20 5 DCBDMN O=C(COc1cccc([N+](=O)[O-])c1)NCCN1CC[C@@H](O)C1 ZINC000600532869 396885294 /nfs/dbraw/zinc/88/52/94/396885294.db2.gz OWDXRLCTHTZNOE-GFCCVEGCSA-N 0 1 309.322 0.156 20 5 DCBDMN Cc1nn(CCC(=O)N2CCC3(CN(C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000618920865 397042809 /nfs/dbraw/zinc/04/28/09/397042809.db2.gz CUVBDKLJPDFWHN-UHFFFAOYSA-N 0 1 321.381 0.962 20 5 DCBDMN COc1ccccc1[C@H](N)CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000592286699 397141604 /nfs/dbraw/zinc/14/16/04/397141604.db2.gz IZPFCKHVPVUVCG-SNVBAGLBSA-N 0 1 319.321 0.767 20 5 DCBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000364528774 397215270 /nfs/dbraw/zinc/21/52/70/397215270.db2.gz IZYIZIQKMQEPFL-LLVKDONJSA-N 0 1 318.293 0.251 20 5 DCBDMN O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCCN1CCC1 ZINC000598899133 397304565 /nfs/dbraw/zinc/30/45/65/397304565.db2.gz HUVMPXRMAKHHOH-UHFFFAOYSA-N 0 1 321.337 0.538 20 5 DCBDMN Cc1cc(CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])n[nH]1 ZINC000598597961 397255850 /nfs/dbraw/zinc/25/58/50/397255850.db2.gz KRTXYCTVYXTHBA-UHFFFAOYSA-N 0 1 319.325 0.865 20 5 DCBDMN Cc1ccnc(N2CCN(Cc3nnc[nH]3)CC2)c1[N+](=O)[O-] ZINC000593509240 397378738 /nfs/dbraw/zinc/37/87/38/397378738.db2.gz VKQFMZDEQKKQOW-UHFFFAOYSA-N 0 1 303.326 0.739 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](n3cncn3)C2)c1[N+](=O)[O-] ZINC000614456455 397443455 /nfs/dbraw/zinc/44/34/55/397443455.db2.gz QCZFMNJISLBZOE-QMMMGPOBSA-N 0 1 305.298 0.559 20 5 DCBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C1 ZINC000487448485 397472268 /nfs/dbraw/zinc/47/22/68/397472268.db2.gz PEUQYNRFKQQDKA-ZLKJLUDKSA-N 0 1 323.349 0.717 20 5 DCBDMN CCOC(=O)c1c[nH]c(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)n1 ZINC000593901278 397472535 /nfs/dbraw/zinc/47/25/35/397472535.db2.gz LAUCFBOGZQYISA-UHFFFAOYSA-N 0 1 322.281 0.789 20 5 DCBDMN CCOCCN1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602777941 397482590 /nfs/dbraw/zinc/48/25/90/397482590.db2.gz WTJKMLIGFMBLPD-UHFFFAOYSA-N 0 1 311.386 0.754 20 5 DCBDMN [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000593926802 397483027 /nfs/dbraw/zinc/48/30/27/397483027.db2.gz PCLKUZABJDZNAO-XPTSAGLGSA-N 0 1 306.322 0.896 20 5 DCBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1COCCN1 ZINC000599907439 397538778 /nfs/dbraw/zinc/53/87/78/397538778.db2.gz PAWVQBIAEFZHAL-LLVKDONJSA-N 0 1 324.337 0.391 20 5 DCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000594387104 397540022 /nfs/dbraw/zinc/54/00/22/397540022.db2.gz SWZJCHGELNCJPZ-JTQLQIEISA-N 0 1 320.309 0.833 20 5 DCBDMN COCC[NH2+]CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000126854459 158269142 /nfs/dbraw/zinc/26/91/42/158269142.db2.gz CJXAGRIUUDLOLM-UHFFFAOYSA-N 0 1 321.330 0.248 20 5 DCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)n1 ZINC000408370123 160093877 /nfs/dbraw/zinc/09/38/77/160093877.db2.gz HFPWTCYCZPHIOK-MNOVXSKESA-N 0 1 307.354 0.977 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CC[S@@](=O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000352313089 415132241 /nfs/dbraw/zinc/13/22/41/415132241.db2.gz KKXGMAVASAYPLP-HXNGOWOSSA-N 0 1 314.367 0.863 20 5 DCBDMN C[C@@H](CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1)c1nn[nH]n1 ZINC000352464584 415184619 /nfs/dbraw/zinc/18/46/19/415184619.db2.gz BCOFAAPPQNJLKS-VIFPVBQESA-N 0 1 304.310 0.913 20 5 DCBDMN CS(=O)(=O)c1cc(C(=O)N2CCNCC2)cc([N+](=O)[O-])c1 ZINC000353090738 415433373 /nfs/dbraw/zinc/43/33/73/415433373.db2.gz UBVWNORJAFYTFK-UHFFFAOYSA-N 0 1 313.335 0.044 20 5 DCBDMN Cc1nc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)n[nH]1 ZINC000343121526 415463591 /nfs/dbraw/zinc/46/35/91/415463591.db2.gz WLNVEOZFSSMXTH-UHFFFAOYSA-N 0 1 320.309 0.572 20 5 DCBDMN COCC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(N)=O ZINC000343310260 415550335 /nfs/dbraw/zinc/55/03/35/415550335.db2.gz WNVFWPMMEOQMRL-SNVBAGLBSA-N 0 1 321.293 0.091 20 5 DCBDMN CCn1c(C)nc([N+](=O)[O-])c1NCCCN1CCC[C@H]1C(N)=O ZINC000288864650 415696743 /nfs/dbraw/zinc/69/67/43/415696743.db2.gz LGTNCTGVRMVDID-NSHDSACASA-N 0 1 324.385 0.871 20 5 DCBDMN CCC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(N)=O ZINC000336850383 415835907 /nfs/dbraw/zinc/83/59/07/415835907.db2.gz XBAFQJIXLBWIBK-MRVPVSSYSA-N 0 1 319.314 0.666 20 5 DCBDMN Cn1ccnc1-c1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)[nH]n1 ZINC000355043907 415837426 /nfs/dbraw/zinc/83/74/26/415837426.db2.gz MJIRDQSLEZHSJK-UHFFFAOYSA-N 0 1 302.254 0.694 20 5 DCBDMN CCN1C[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000344424679 415913048 /nfs/dbraw/zinc/91/30/48/415913048.db2.gz MSTOKTPLYJRHND-VXGBXAGGSA-N 0 1 322.365 0.698 20 5 DCBDMN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])[C@@H]2C1 ZINC000356643372 415967441 /nfs/dbraw/zinc/96/74/41/415967441.db2.gz LGLVSHHPWSALLP-AXFHLTTASA-N 0 1 321.337 0.695 20 5 DCBDMN CNC(=O)[C@@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299088899 416050740 /nfs/dbraw/zinc/05/07/40/416050740.db2.gz LCZWKKNGIXHHSY-OCCSQVGLSA-N 0 1 323.349 0.545 20 5 DCBDMN NC(=O)[C@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000299211517 416059101 /nfs/dbraw/zinc/05/91/01/416059101.db2.gz FZSLEGUPVIBBAV-QMMMGPOBSA-N 0 1 317.305 0.809 20 5 DCBDMN COC(=O)[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000338320380 416078798 /nfs/dbraw/zinc/07/87/98/416078798.db2.gz LFCSZDSIPARMIW-PELKAZGASA-N 0 1 324.289 0.703 20 5 DCBDMN CNC(=O)CCN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000170791871 416031690 /nfs/dbraw/zinc/03/16/90/416031690.db2.gz RIWRXDOIJOKIJI-JTQLQIEISA-N 0 1 308.338 0.990 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCC[C@]3(CNC(=O)C3)C2)c1[N+](=O)[O-] ZINC000345491162 416103832 /nfs/dbraw/zinc/10/38/32/416103832.db2.gz KZUSWCNLTKYACQ-AWEZNQCLSA-N 0 1 321.337 0.623 20 5 DCBDMN C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000183209424 416237762 /nfs/dbraw/zinc/23/77/62/416237762.db2.gz IZRWTCRZRSQIJZ-ZDVLTJLQSA-N 0 1 324.355 0.779 20 5 DCBDMN COc1cccc(C(=O)NCCCc2nc(=O)[nH][nH]2)c1[N+](=O)[O-] ZINC000193227209 416314742 /nfs/dbraw/zinc/31/47/42/416314742.db2.gz UTGOOZFFUADVJM-UHFFFAOYSA-N 0 1 321.293 0.377 20 5 DCBDMN COC(=O)[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000191858506 416291336 /nfs/dbraw/zinc/29/13/36/416291336.db2.gz CGNPGLNJSXIPLR-AAEUAGOBSA-N 0 1 323.349 0.888 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2nncn2C)c1[N+](=O)[O-] ZINC000360485919 416392587 /nfs/dbraw/zinc/39/25/87/416392587.db2.gz XDUDYVVOVZWLAR-UHFFFAOYSA-N 0 1 307.314 0.842 20 5 DCBDMN CNc1nccc(C(=O)N2CCN(C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000594344906 416560219 /nfs/dbraw/zinc/56/02/19/416560219.db2.gz IYPMPPYIQSXTGI-LBPRGKRZSA-N 0 1 321.381 1.444 20 5 DCBDMN O=C(CCNC(=O)c1n[nH]cc1[N+](=O)[O-])Nc1ccccn1 ZINC000534268226 416495076 /nfs/dbraw/zinc/49/50/76/416495076.db2.gz PVIFQLSHHQTHOQ-UHFFFAOYSA-N 0 1 304.266 0.472 20 5 DCBDMN CC(C)(O)CN1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000362104782 416564643 /nfs/dbraw/zinc/56/46/43/416564643.db2.gz DCYYMRBDPJZLSP-UHFFFAOYSA-N 0 1 324.337 0.224 20 5 DCBDMN CNc1nccc(C(=O)Nc2ccc3[nH]nnc3c2)c1[N+](=O)[O-] ZINC000557635150 416745838 /nfs/dbraw/zinc/74/58/38/416745838.db2.gz FAVRIPZOJAUHDE-UHFFFAOYSA-N 0 1 313.277 1.555 20 5 DCBDMN COCC(C)(C)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000425275824 416689091 /nfs/dbraw/zinc/68/90/91/416689091.db2.gz FVAJXBCWIQDUCA-UHFFFAOYSA-N 0 1 310.358 0.514 20 5 DCBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](c3nc[nH]n3)C2)n1 ZINC000425291220 416690635 /nfs/dbraw/zinc/69/06/35/416690635.db2.gz ZIFNIZWAWRQSPT-QMMMGPOBSA-N 0 1 318.293 0.888 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCOC[C@H]2C[C@H](C)O)c1[N+](=O)[O-] ZINC000444362702 416835846 /nfs/dbraw/zinc/83/58/46/416835846.db2.gz GCWGUOUIGYZAPV-DTWKUNHWSA-N 0 1 312.326 0.492 20 5 DCBDMN CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000449521584 417150308 /nfs/dbraw/zinc/15/03/08/417150308.db2.gz IPYCVIUXICPESY-TXEJJXNPSA-N 0 1 319.317 0.698 20 5 DCBDMN C[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCC2)O1 ZINC000568981381 417200366 /nfs/dbraw/zinc/20/03/66/417200366.db2.gz RSOBCJJQEXRFET-AAEUAGOBSA-N 0 1 310.354 0.796 20 5 DCBDMN COc1ccncc1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000569301101 417236447 /nfs/dbraw/zinc/23/64/47/417236447.db2.gz XPFNPPGCEJNKGC-UHFFFAOYSA-N 0 1 324.318 0.872 20 5 DCBDMN 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322.365 0.646 20 5 DCBDMN CCc1nnc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001733242101 1186198558 /nfs/dbraw/zinc/19/85/58/1186198558.db2.gz BCIBAJWOLTVZPM-RKDXNWHRSA-N 0 1 309.326 0.036 20 5 DCBDMN O=C(CC(F)(F)F)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001738039110 1187455069 /nfs/dbraw/zinc/45/50/69/1187455069.db2.gz WVELTWBCVQKPBA-HTQZYQBOSA-N 0 1 309.244 0.179 20 5 DCBDMN CCn1cccc1C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001738504029 1187575492 /nfs/dbraw/zinc/57/54/92/1187575492.db2.gz JIAPDFQHNKNEKH-NAGRZINJSA-N 0 1 320.349 0.575 20 5 DCBDMN Cc1nocc1C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001738750988 1187647357 /nfs/dbraw/zinc/64/73/57/1187647357.db2.gz BICSWOWTWVVRFD-PSASIEDQSA-N 0 1 308.294 0.027 20 5 DCBDMN O=C(NCC1(NC(=O)C2(CF)CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001738751146 1187647765 /nfs/dbraw/zinc/64/77/65/1187647765.db2.gz HYRFJBVBIUNVAQ-NXEZZACHSA-N 0 1 313.329 0.556 20 5 DCBDMN COCc1ccc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001742404980 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0.289 20 5 DCBDMN O=C(NCCC1CCN(C(=O)C2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001759399935 1190177755 /nfs/dbraw/zinc/17/77/55/1190177755.db2.gz PEISIMGCWRQSSL-CHWSQXEVSA-N 0 1 309.366 0.807 20 5 DCBDMN O=C(NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC001759698676 1190273540 /nfs/dbraw/zinc/27/35/40/1190273540.db2.gz IMYMPIWPVCLLTO-DKZVVXNFSA-N 0 1 321.377 0.876 20 5 DCBDMN Cc1nc(C)c(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001759888667 1190331452 /nfs/dbraw/zinc/33/14/52/1190331452.db2.gz YEAXTHAJAJIADO-NXEZZACHSA-N 0 1 322.321 0.335 20 5 DCBDMN CN1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@@H]21 ZINC001164668719 719407584 /nfs/dbraw/zinc/40/75/84/719407584.db2.gz KBBVKCWAEKDOGP-UWVGGRQHSA-N 0 1 314.729 0.401 20 5 DCBDMN CCC(=O)NCC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001124872961 751728782 /nfs/dbraw/zinc/72/87/82/751728782.db2.gz PWULQDCOYJHUCI-UHFFFAOYSA-N 0 1 308.338 0.327 20 5 DCBDMN COc1ccnc(CN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001042705180 751852144 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CCc1[nH]nc(C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000374549107 396671913 /nfs/dbraw/zinc/67/19/13/396671913.db2.gz NDJYIWMDKPIDTB-GHMZBOCLSA-N 0 1 324.337 0.900 20 5 DCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCO[C@H]3CCCC[C@H]32)c1 ZINC000304309258 396729740 /nfs/dbraw/zinc/72/97/40/396729740.db2.gz JWAZYNPMLQMEAR-MCIONIFRSA-N 0 1 310.354 0.796 20 5 DCBDMN Cc1cc(NCc2nn[nH]n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611132454 396821405 /nfs/dbraw/zinc/82/14/05/396821405.db2.gz HONKXOAMABIGFF-UHFFFAOYSA-N 0 1 312.293 0.907 20 5 DCBDMN CC(C)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000611209298 396835676 /nfs/dbraw/zinc/83/56/76/396835676.db2.gz OTLSQVFMICQBQA-JTQLQIEISA-N 0 1 309.326 0.695 20 5 DCBDMN O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000600530424 396883949 /nfs/dbraw/zinc/88/39/49/396883949.db2.gz AWNGAVOCQSLRNC-QLFBSQMISA-N 0 1 319.361 0.881 20 5 DCBDMN O=C(NCCN1CC[C@@H](O)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000600530424 396883954 /nfs/dbraw/zinc/88/39/54/396883954.db2.gz AWNGAVOCQSLRNC-QLFBSQMISA-N 0 1 319.361 0.881 20 5 DCBDMN CN(C)c1ccnc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000612347481 397032674 /nfs/dbraw/zinc/03/26/74/397032674.db2.gz ZSENWHAUHRNOKW-UHFFFAOYSA-N 0 1 317.305 0.856 20 5 DCBDMN Cc1nn(CCC(=O)N2CC[N@H+]3CC[C@H]2C3)c(C)c1[N+](=O)[O-] ZINC000597710987 397072553 /nfs/dbraw/zinc/07/25/53/397072553.db2.gz ZIUMIPRXLQQDHZ-LBPRGKRZSA-N 0 1 307.354 0.715 20 5 DCBDMN O=c1[n-]c([C@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)n[nH]1 ZINC000377582922 397106839 /nfs/dbraw/zinc/10/68/39/397106839.db2.gz GBTDDDMUANYUPX-VIFPVBQESA-N 0 1 307.314 0.495 20 5 DCBDMN O=c1[n-]c([C@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)n[nH]1 ZINC000377582922 397106842 /nfs/dbraw/zinc/10/68/42/397106842.db2.gz GBTDDDMUANYUPX-VIFPVBQESA-N 0 1 307.314 0.495 20 5 DCBDMN CC(=O)NCC[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573321171 397157155 /nfs/dbraw/zinc/15/71/55/397157155.db2.gz ACTUMKJZARPMBM-LBPRGKRZSA-N 0 1 311.338 0.402 20 5 DCBDMN CC(=O)NCCN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573321171 397157162 /nfs/dbraw/zinc/15/71/62/397157162.db2.gz ACTUMKJZARPMBM-LBPRGKRZSA-N 0 1 311.338 0.402 20 5 DCBDMN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CC12CC[NH2+]CC2 ZINC000592390493 397167526 /nfs/dbraw/zinc/16/75/26/397167526.db2.gz XXDZVOWVKAUHQF-JTQLQIEISA-N 0 1 312.351 0.410 20 5 DCBDMN Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2=O)cc1 ZINC000364629976 397229988 /nfs/dbraw/zinc/22/99/88/397229988.db2.gz KUMCUNHBBXQDRO-HZSPNIEDSA-N 0 1 317.345 0.877 20 5 DCBDMN COc1c(C(=O)N(C)Cc2n[nH]c(=O)o2)cccc1[N+](=O)[O-] ZINC000598745178 397288325 /nfs/dbraw/zinc/28/83/25/397288325.db2.gz LATHUFVYSVQGQF-UHFFFAOYSA-N 0 1 308.250 0.964 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CC(n3cncn3)C2)c1[N+](=O)[O-] ZINC000365253296 397253753 /nfs/dbraw/zinc/25/37/53/397253753.db2.gz VXUXMTQETFFXKK-UHFFFAOYSA-N 0 1 305.298 0.559 20 5 DCBDMN CCOC(=O)c1ccnc(NCCN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000599176295 397354903 /nfs/dbraw/zinc/35/49/03/397354903.db2.gz PZCVTNAYHFMIGT-SNVBAGLBSA-N 0 1 324.337 0.645 20 5 DCBDMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2nnc[nH]2)CC1 ZINC000593858807 397458702 /nfs/dbraw/zinc/45/87/02/397458702.db2.gz LVWSYOLRXYZOMY-UHFFFAOYSA-N 0 1 316.321 0.671 20 5 DCBDMN O=C(CCc1cccc([N+](=O)[O-])c1)NCC(=O)N1CCNCC1 ZINC000579343271 397553399 /nfs/dbraw/zinc/55/33/99/397553399.db2.gz LVDAJIGOZBNEEP-UHFFFAOYSA-N 0 1 320.349 0.075 20 5 DCBDMN CN1CCN(C(=O)CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594493001 397563095 /nfs/dbraw/zinc/56/30/95/397563095.db2.gz BSQAKRACLHQBAE-AWEZNQCLSA-N 0 1 318.377 0.946 20 5 DCBDMN CC(C)[C@@H]1CNCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599887308 397534966 /nfs/dbraw/zinc/53/49/66/397534966.db2.gz ALQHTZSIDOBMHI-ZDUSSCGKSA-N 0 1 320.349 0.990 20 5 DCBDMN CC(C)(C)n1nnc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000594395708 397541299 /nfs/dbraw/zinc/54/12/99/397541299.db2.gz DSRNKNUQYDZIDN-UHFFFAOYSA-N 0 1 320.309 0.972 20 5 DCBDMN O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599937654 397545897 /nfs/dbraw/zinc/54/58/97/397545897.db2.gz HUKAUPDYFIYOPC-AAEUAGOBSA-N 0 1 321.333 0.582 20 5 DCBDMN CCNC(=O)CN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000604175469 397632882 /nfs/dbraw/zinc/63/28/82/397632882.db2.gz DYILHGCZDDFEMW-UHFFFAOYSA-N 0 1 305.294 0.679 20 5 DCBDMN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N1CCN(C)CC1 ZINC000608891365 397758232 /nfs/dbraw/zinc/75/82/32/397758232.db2.gz RLUBQHLMPQKKNE-LLVKDONJSA-N 0 1 309.370 0.299 20 5 DCBDMN C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1nncn1C ZINC000610212296 397805849 /nfs/dbraw/zinc/80/58/49/397805849.db2.gz FFFZZHKIVQQBTL-ZETCQYMHSA-N 0 1 312.311 0.158 20 5 DCBDMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000330597117 159200218 /nfs/dbraw/zinc/20/02/18/159200218.db2.gz SGERXETZAYAAHR-WDEREUQCSA-N 0 1 308.338 0.308 20 5 DCBDMN NC(=O)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000137100414 287027893 /nfs/dbraw/zinc/02/78/93/287027893.db2.gz SGICWKGMMWSMAV-SECBINFHSA-N 0 1 307.241 0.413 20 5 DCBDMN C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])N1CCN(C)CC1 ZINC000357269183 287204978 /nfs/dbraw/zinc/20/49/78/287204978.db2.gz ZHYVIZSYPURLLY-JTQLQIEISA-N 0 1 322.369 0.137 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCN[C@@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000331660390 415175742 /nfs/dbraw/zinc/17/57/42/415175742.db2.gz WZMOHGUEGJNJJT-LLVKDONJSA-N 0 1 316.321 0.808 20 5 DCBDMN COc1ccc(OCCN(C)[C@H]2COC[C@H]2O)c([N+](=O)[O-])c1 ZINC000352792129 415318089 /nfs/dbraw/zinc/31/80/89/415318089.db2.gz KRNSERRIQRRCBP-QWHCGFSZSA-N 0 1 312.322 0.674 20 5 DCBDMN CN(Cc1nnc[nH]1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000353691297 415626591 /nfs/dbraw/zinc/62/65/91/415626591.db2.gz MYMDHDBWVKNSDM-UHFFFAOYSA-N 0 1 301.266 0.861 20 5 DCBDMN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000343723191 415699521 /nfs/dbraw/zinc/69/95/21/415699521.db2.gz NCBHFGVOWDNSAM-PWSUYJOCSA-N 0 1 309.322 0.155 20 5 DCBDMN O=C(CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000130809880 415923418 /nfs/dbraw/zinc/92/34/18/415923418.db2.gz XKMLSUUXMROZJV-UHFFFAOYSA-N 0 1 315.289 0.637 20 5 DCBDMN C[C@@H]1CNCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000125312139 415864857 /nfs/dbraw/zinc/86/48/57/415864857.db2.gz HXKYKXWBMXFMIX-SECBINFHSA-N 0 1 316.317 0.870 20 5 DCBDMN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCC1 ZINC000337293391 415939825 /nfs/dbraw/zinc/93/98/25/415939825.db2.gz NSRDVNBMUZCAEF-NSHDSACASA-N 0 1 320.349 0.535 20 5 DCBDMN CC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CC[N@H+]1C[C@@H](C)O ZINC000297018432 415946999 /nfs/dbraw/zinc/94/69/99/415946999.db2.gz GVFLNEGEJKOYID-PWSUYJOCSA-N 0 1 309.370 0.975 20 5 DCBDMN CC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CCN1C[C@@H](C)O ZINC000297018432 415947004 /nfs/dbraw/zinc/94/70/04/415947004.db2.gz GVFLNEGEJKOYID-PWSUYJOCSA-N 0 1 309.370 0.975 20 5 DCBDMN Nc1nnc(CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)o1 ZINC000356757556 415981904 /nfs/dbraw/zinc/98/19/04/415981904.db2.gz AQUGLBHRSIHFIY-UHFFFAOYSA-N 0 1 317.265 0.409 20 5 DCBDMN O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1[O-] ZINC000324249887 416122381 /nfs/dbraw/zinc/12/23/81/416122381.db2.gz HRRDDZLLICFHOB-QWRGUYRKSA-N 0 1 321.333 0.893 20 5 DCBDMN COCCN1CC[C@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000330636259 416220512 /nfs/dbraw/zinc/22/05/12/416220512.db2.gz FCGHJGIKXKUOIS-JTQLQIEISA-N 0 1 311.342 0.087 20 5 DCBDMN COc1cc(CCNC(=O)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000193552479 416317501 /nfs/dbraw/zinc/31/75/01/416317501.db2.gz WBEBLIIOSTUJQT-UHFFFAOYSA-N 0 1 311.338 0.832 20 5 DCBDMN Cc1[nH]nc(C(=O)N(C)[C@H](C)CS(C)(=O)=O)c1[N+](=O)[O-] ZINC000351832623 416283099 /nfs/dbraw/zinc/28/30/99/416283099.db2.gz FVASTOVEMGBJJM-ZCFIWIBFSA-N 0 1 304.328 0.131 20 5 DCBDMN C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H]1C ZINC000246830762 416332320 /nfs/dbraw/zinc/33/23/20/416332320.db2.gz KYBHDFWZOMHFPU-MNOVXSKESA-N 0 1 323.349 0.828 20 5 DCBDMN C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H]1C ZINC000246830762 416332321 /nfs/dbraw/zinc/33/23/21/416332321.db2.gz KYBHDFWZOMHFPU-MNOVXSKESA-N 0 1 323.349 0.828 20 5 DCBDMN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]nnc2C1 ZINC000359759283 416357334 /nfs/dbraw/zinc/35/73/34/416357334.db2.gz FCGIBYJCQLBBNF-UHFFFAOYSA-N 0 1 303.278 0.677 20 5 DCBDMN Cn1nc([N+](=O)[O-])cc1C(=O)NC1(c2nn[nH]n2)CCCC1 ZINC000360744323 416407477 /nfs/dbraw/zinc/40/74/77/416407477.db2.gz IRQPWUYMUSYBAL-UHFFFAOYSA-N 0 1 306.286 0.041 20 5 DCBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1nnc[nH]1 ZINC000540891346 416597234 /nfs/dbraw/zinc/59/72/34/416597234.db2.gz GHEXNDSKSCOAKO-SSDOTTSWSA-N 0 1 319.277 0.975 20 5 DCBDMN C[C@H](O)CN1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000439156234 416609035 /nfs/dbraw/zinc/60/90/35/416609035.db2.gz LLUKAJSGHNWQOS-QWRGUYRKSA-N 0 1 322.365 0.585 20 5 DCBDMN Nc1nc(N2CCC[C@@H](N3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000594598105 416566729 /nfs/dbraw/zinc/56/67/29/416566729.db2.gz DWASHGRTYRQKBU-LLVKDONJSA-N 0 1 322.369 0.658 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCN3C(=O)OCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000494034749 416643950 /nfs/dbraw/zinc/64/39/50/416643950.db2.gz SOSZYKUQFNGHIH-MRVPVSSYSA-N 0 1 309.282 0.293 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-]CC2=CC[NH2+]CC2)c([N+](=O)[O-])n1 ZINC000440845628 416651239 /nfs/dbraw/zinc/65/12/39/416651239.db2.gz JWXHCAGDVPCOBH-UHFFFAOYSA-N 0 1 315.355 0.009 20 5 DCBDMN Nc1nc(SCCN2C[C@H]3CC[C@@H](C2)O3)ncc1[N+](=O)[O-] ZINC000517042468 416777574 /nfs/dbraw/zinc/77/75/74/416777574.db2.gz VZGNKTPPJQRMSN-DTORHVGOSA-N 0 1 311.367 0.922 20 5 DCBDMN NC(=O)NC1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000428030282 416868687 /nfs/dbraw/zinc/86/86/87/416868687.db2.gz HQVNJLUFXMMCRU-UHFFFAOYSA-N 0 1 308.294 0.573 20 5 DCBDMN CC(C)(C)c1nc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])n[nH]1 ZINC000563637019 416885264 /nfs/dbraw/zinc/88/52/64/416885264.db2.gz LXQZFTWJKYLDPD-UHFFFAOYSA-N 0 1 319.325 0.918 20 5 DCBDMN CCn1cnnc1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525601811 417142934 /nfs/dbraw/zinc/14/29/34/417142934.db2.gz WMTGLFZKDNAOJB-UHFFFAOYSA-N 0 1 312.311 0.080 20 5 DCBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC[N@@H+]2CCCOCC2)n1 ZINC000573850616 417475802 /nfs/dbraw/zinc/47/58/02/417475802.db2.gz WCJUDRVHHIQCSK-UHFFFAOYSA-N 0 1 324.337 1.131 20 5 DCBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC[N@H+]2CCCOCC2)n1 ZINC000573850616 417475807 /nfs/dbraw/zinc/47/58/07/417475807.db2.gz WCJUDRVHHIQCSK-UHFFFAOYSA-N 0 1 324.337 1.131 20 5 DCBDMN CCc1nc(CNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)n[nH]1 ZINC000456039723 417623455 /nfs/dbraw/zinc/62/34/55/417623455.db2.gz WHMLSTVQENKAGO-UHFFFAOYSA-N 0 1 305.298 0.642 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2C[C@H](C)O[C@H](CO)C2)c1[N+](=O)[O-] ZINC000187941535 261124753 /nfs/dbraw/zinc/12/47/53/261124753.db2.gz XIHOSJKXNZQVPT-IUCAKERBSA-N 0 1 312.326 0.492 20 5 DCBDMN CCC(=O)N[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000354782405 261271747 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XGRXBKVDXOBEGT-UHFFFAOYSA-N 0 1 318.307 0.283 20 5 DCBDMN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCN[C@H](C)C1 ZINC000841174091 671918119 /nfs/dbraw/zinc/91/81/19/671918119.db2.gz TVSLDCWUSMBOFK-MRVPVSSYSA-N 0 1 324.312 0.801 20 5 DCBDMN Cc1cc(C)n2nc(CCCOC(=O)[C@@H]3CC3[N+](=O)[O-])nc2n1 ZINC000842291964 672003468 /nfs/dbraw/zinc/00/34/68/672003468.db2.gz FOGIYQFAWZWSKG-GHMZBOCLSA-N 0 1 319.321 0.882 20 5 DCBDMN COCc1cc([N+](=O)[O-])ccc1N1CC(N2CC[C@@H](O)C2)C1 ZINC000845721938 672271414 /nfs/dbraw/zinc/27/14/14/672271414.db2.gz HRAVOKDMEKGEBP-CQSZACIVSA-N 0 1 307.350 0.996 20 5 DCBDMN O=[N+]([O-])c1ccc([C@H](O)CN[C@H]2CCS(=O)(=O)C2)cc1 ZINC000106017703 672272051 /nfs/dbraw/zinc/27/20/51/672272051.db2.gz ACKRJGBDQMXNLT-CMPLNLGQSA-N 0 1 300.336 0.405 20 5 DCBDMN Cn1cc(CN(CCn2ccnc2)C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000846097834 672293685 /nfs/dbraw/zinc/29/36/85/672293685.db2.gz WFKLOVHOFZEDCY-CHWSQXEVSA-N 0 1 318.337 0.311 20 5 DCBDMN Cc1cccc(C(=O)N2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000954234618 685975775 /nfs/dbraw/zinc/97/57/75/685975775.db2.gz GPKNAABXDTWBJV-ZIAGYGMSSA-N 0 1 317.345 0.943 20 5 DCBDMN CC(=O)N(C)Cc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000963870262 689106246 /nfs/dbraw/zinc/10/62/46/689106246.db2.gz ZYVHMVHUQWFSCW-ZIAGYGMSSA-N 0 1 305.334 0.946 20 5 DCBDMN CCN(C(=O)c1[nH]ccc1C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000967914614 690120893 /nfs/dbraw/zinc/12/08/93/690120893.db2.gz BDFAEKPIOGIVBB-VXGBXAGGSA-N 0 1 320.349 0.661 20 5 DCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ocnc2C)C1 ZINC000967950041 690135281 /nfs/dbraw/zinc/13/52/81/690135281.db2.gz NTRIQLQPFRSVCK-GHMZBOCLSA-N 0 1 322.321 0.321 20 5 DCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C(=O)C23CCC(CC2)C3)CC1 ZINC001011112919 691472075 /nfs/dbraw/zinc/47/20/75/691472075.db2.gz XTURWRPWIGFJNK-LGESCRJUSA-N 0 1 321.377 0.903 20 5 DCBDMN Cc1c(C(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ccn1C ZINC001011115806 691472878 /nfs/dbraw/zinc/47/28/78/691472878.db2.gz WLXAWNMKEXTVCK-CHWSQXEVSA-N 0 1 320.349 0.283 20 5 DCBDMN CC(F)(F)C(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019012735 693324458 /nfs/dbraw/zinc/32/44/58/693324458.db2.gz RMLJCTMSBSUYAH-RKDXNWHRSA-N 0 1 317.292 0.368 20 5 DCBDMN Cn1nccc1[C@H]1c2nc[nH]c2CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001570742469 1162608711 /nfs/dbraw/zinc/60/87/11/1162608711.db2.gz YZPBNRDQWJAFRR-DYLAAIIWSA-N 0 1 316.321 0.283 20 5 DCBDMN Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001570742469 1162608714 /nfs/dbraw/zinc/60/87/14/1162608714.db2.gz YZPBNRDQWJAFRR-DYLAAIIWSA-N 0 1 316.321 0.283 20 5 DCBDMN CCOCC1(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001745105139 1157766372 /nfs/dbraw/zinc/76/63/72/1157766372.db2.gz BCRPUTCNQXDYRT-GHMZBOCLSA-N 0 1 313.354 0.043 20 5 DCBDMN O=C(/C=C/c1ccc[nH]1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001745847962 1158152072 /nfs/dbraw/zinc/15/20/72/1158152072.db2.gz QWWJGANOTMCZTK-BLDJZWNYSA-N 0 1 304.306 0.020 20 5 DCBDMN Cc1ccc(F)cc1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001720088952 1158943198 /nfs/dbraw/zinc/94/31/98/1158943198.db2.gz MHALJHRSERMXOQ-VXGBXAGGSA-N 0 1 309.297 0.645 20 5 DCBDMN Cc1[nH]ccc1C(=O)N(C)CCNCc1c([N+](=O)[O-])ncn1C ZINC001567480466 1160386694 /nfs/dbraw/zinc/38/66/94/1160386694.db2.gz INAWCPCUXXMAOH-UHFFFAOYSA-N 0 1 320.353 0.827 20 5 DCBDMN CC(C)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ncnn1C ZINC001567641648 1160445648 /nfs/dbraw/zinc/44/56/48/1160445648.db2.gz NSQUBGDDELLATR-VXGBXAGGSA-N 0 1 324.385 0.197 20 5 DCBDMN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1COCc1c[nH]nn1 ZINC001578050886 1164908631 /nfs/dbraw/zinc/90/86/31/1164908631.db2.gz GWHWHOFZJMUOCX-UHFFFAOYSA-N 0 1 318.249 0.704 20 5 DCBDMN O=C(CCn1cccc1)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001578827553 1165132165 /nfs/dbraw/zinc/13/21/65/1165132165.db2.gz UPTBRVNQNRQMAF-YVECIDJPSA-N 0 1 320.349 0.307 20 5 DCBDMN COc1cc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1-c1nn[nH]n1 ZINC001579926195 1165439136 /nfs/dbraw/zinc/43/91/36/1165439136.db2.gz PBOIOBMGLDTYCM-NXEZZACHSA-N 0 1 318.293 0.157 20 5 DCBDMN Cc1coc(C(=O)NC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001583310251 1166241973 /nfs/dbraw/zinc/24/19/73/1166241973.db2.gz DMANFVJJVQFQOQ-LVUHIJSRSA-N 0 1 307.306 0.655 20 5 DCBDMN CCc1ccoc1C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001583310205 1166242731 /nfs/dbraw/zinc/24/27/31/1166242731.db2.gz CZSIUWONHPXMPS-BLDJZWNYSA-N 0 1 321.333 0.909 20 5 DCBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1n[nH]c(CO)n1 ZINC001585252021 1166413290 /nfs/dbraw/zinc/41/32/90/1166413290.db2.gz JGZFJIADTFBEMW-UHFFFAOYSA-N 0 1 323.334 0.614 20 5 DCBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1nnc(CO)[nH]1 ZINC001585252021 1166413295 /nfs/dbraw/zinc/41/32/95/1166413295.db2.gz JGZFJIADTFBEMW-UHFFFAOYSA-N 0 1 323.334 0.614 20 5 DCBDMN Cc1nc([C@H](C)Nc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])n[nH]1 ZINC001592440563 1167523682 /nfs/dbraw/zinc/52/36/82/1167523682.db2.gz HDHMBTMOIZSKEH-YFKPBYRVSA-N 0 1 316.285 0.770 20 5 DCBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001600487948 1168192577 /nfs/dbraw/zinc/19/25/77/1168192577.db2.gz XJFVPDSUTZHVII-LLVKDONJSA-N 0 1 321.333 0.992 20 5 DCBDMN CCc1noc([C@@H](C)n2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)n1 ZINC001604585280 1169623551 /nfs/dbraw/zinc/62/35/51/1169623551.db2.gz GUKGHIFHCGDXPA-RXMQYKEDSA-N 0 1 305.258 0.526 20 5 DCBDMN C[NH+](C)CC1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001604679947 1169653088 /nfs/dbraw/zinc/65/30/88/1169653088.db2.gz DRXLYYCZAKBVCA-UHFFFAOYSA-N 0 1 309.355 0.834 20 5 DCBDMN C[NH+](C)CC1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001604679947 1169653091 /nfs/dbraw/zinc/65/30/91/1169653091.db2.gz DRXLYYCZAKBVCA-UHFFFAOYSA-N 0 1 309.355 0.834 20 5 DCBDMN C[N@@H+](CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])CC(=O)[O-] ZINC001606129445 1170086826 /nfs/dbraw/zinc/08/68/26/1170086826.db2.gz GXODKMGONBHPLP-UHFFFAOYSA-N 0 1 313.285 0.409 20 5 DCBDMN COc1cc(C[N@@H+]2CC[C@@](O)(C(=O)[O-])C2)c([N+](=O)[O-])cc1F ZINC001607158152 1170411166 /nfs/dbraw/zinc/41/11/66/1170411166.db2.gz VDKUKOVGFFDAOC-ZDUSSCGKSA-N 0 1 314.269 0.764 20 5 DCBDMN COc1cc(C[N@H+]2CC[C@@](O)(C(=O)[O-])C2)c([N+](=O)[O-])cc1F ZINC001607158152 1170411170 /nfs/dbraw/zinc/41/11/70/1170411170.db2.gz VDKUKOVGFFDAOC-ZDUSSCGKSA-N 0 1 314.269 0.764 20 5 DCBDMN Nc1c(C(=O)N2CC[NH+](CC(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC001608269496 1170638614 /nfs/dbraw/zinc/63/86/14/1170638614.db2.gz XHOZVTSAAZASPO-UHFFFAOYSA-N 0 1 308.294 0.019 20 5 DCBDMN C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001609854469 1171105023 /nfs/dbraw/zinc/10/50/23/1171105023.db2.gz VSTCTNPHTAPYHY-NOOOWODRSA-N 0 1 324.337 0.886 20 5 DCBDMN C[C@@]1(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCNC1=O ZINC001622611103 1171371266 /nfs/dbraw/zinc/37/12/66/1171371266.db2.gz ZIMOZWCYFOOZEQ-LLVKDONJSA-N 0 1 317.298 0.291 20 5 DCBDMN O=C(c1ccc([N+](=O)[O-])cn1)N1CCSC[C@@H]1c1nn[nH]n1 ZINC001616948101 1171383438 /nfs/dbraw/zinc/38/34/38/1171383438.db2.gz WIPPCFOCHNMILC-SECBINFHSA-N 0 1 321.322 0.433 20 5 DCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCc2n[nH]c(=O)cc2C1 ZINC001617352323 1171387204 /nfs/dbraw/zinc/38/72/04/1171387204.db2.gz HOVOPINREVENNU-UHFFFAOYSA-N 0 1 304.310 0.654 20 5 DCBDMN COC(=O)COc1ccc(CN2C[C@@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC001621538534 1171411865 /nfs/dbraw/zinc/41/18/65/1171411865.db2.gz LYSNVILCHMADOZ-ZWNOBZJWSA-N 0 1 324.333 0.959 20 5 DCBDMN CC(C)[C@@H](O)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001621803857 1171414790 /nfs/dbraw/zinc/41/47/90/1171414790.db2.gz VOSIYWLZCYYIGI-VIFPVBQESA-N 0 1 306.344 0.014 20 5 DCBDMN CN(C)C1CN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)C1 ZINC001624385939 1171455040 /nfs/dbraw/zinc/45/50/40/1171455040.db2.gz CLMOKELSZJGUHV-UHFFFAOYSA-N 0 1 316.321 0.562 20 5 DCBDMN COCC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001628163481 1171521152 /nfs/dbraw/zinc/52/11/52/1171521152.db2.gz OZDDDAQETACTAJ-SSDOTTSWSA-N 0 1 317.733 0.422 20 5 DCBDMN CN1Cc2ccccc2[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1=O ZINC001629664909 1171555024 /nfs/dbraw/zinc/55/50/24/1171555024.db2.gz NFIKSJHXWZUDGV-LLVKDONJSA-N 0 1 315.289 0.761 20 5 DCBDMN Cn1cncc1[C@@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001634116931 1171660900 /nfs/dbraw/zinc/66/09/00/1171660900.db2.gz ZTCYZTWBAFOVPC-LLVKDONJSA-N 0 1 306.278 0.497 20 5 DCBDMN CC(C)(C)c1nc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC001638813887 1171809753 /nfs/dbraw/zinc/80/97/53/1171809753.db2.gz GNBOTXDECPXIAJ-UHFFFAOYSA-N 0 1 307.314 0.523 20 5 DCBDMN Cc1c(C(=O)N[C@H](CO)Cc2cnc[nH]2)cccc1[N+](=O)[O-] ZINC001643132470 1171967193 /nfs/dbraw/zinc/96/71/93/1171967193.db2.gz GIICHGPZWGBTJM-NSHDSACASA-N 0 1 304.306 0.960 20 5 DCBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H]1CO ZINC001644650815 1172012988 /nfs/dbraw/zinc/01/29/88/1172012988.db2.gz OQSDRCHEWPWSJS-LLVKDONJSA-N 0 1 307.306 0.959 20 5 DCBDMN CONC(=O)C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC001644905859 1172024493 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DCBDMN C[C@@](CO)(NCCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC001655318126 1173818308 /nfs/dbraw/zinc/81/83/08/1173818308.db2.gz RSAYVOCFNDCHIE-ZDUSSCGKSA-N 0 1 316.379 0.827 20 5 DCBDMN COC[C@](C)(CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001659755291 1173935839 /nfs/dbraw/zinc/93/58/39/1173935839.db2.gz KUCTUIQVMPOBRJ-AWEZNQCLSA-N 0 1 311.338 0.829 20 5 DCBDMN CCc1nocc1CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001663722074 1174344492 /nfs/dbraw/zinc/34/44/92/1174344492.db2.gz BYESXSYRACVHPV-TZMCWYRMSA-N 0 1 322.365 0.983 20 5 DCBDMN CC(C)n1cc(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001688325747 1176453363 /nfs/dbraw/zinc/45/33/63/1176453363.db2.gz OSAJAQBCJGDBKL-VXGBXAGGSA-N 0 1 323.353 0.317 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cccc(C)n1 ZINC001688397760 1176482262 /nfs/dbraw/zinc/48/22/62/1176482262.db2.gz JMMMDUSRROAFHQ-DGCLKSJQSA-N 0 1 320.349 0.634 20 5 DCBDMN CCCN(CCNC(=O)c1cc[nH]c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001688466453 1176501948 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DCBDMN CCc1ccoc1C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001720273376 1183544794 /nfs/dbraw/zinc/54/47/94/1183544794.db2.gz WVJDFAFFUWKSQU-GHMZBOCLSA-N 0 1 309.322 0.743 20 5 DCBDMN O=C(NCC1(NCc2cnsn2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001724786824 1184556774 /nfs/dbraw/zinc/55/67/74/1184556774.db2.gz RGKLMAPZUSUJDN-NXEZZACHSA-N 0 1 311.367 0.332 20 5 DCBDMN CC(C)n1cc(CN(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001731239674 1185205358 /nfs/dbraw/zinc/20/53/58/1185205358.db2.gz DQADPSQMUCOTFQ-CHWSQXEVSA-N 0 1 324.385 0.462 20 5 DCBDMN CCC(=O)NCC(=O)N(C)CCNCc1ccccc1[N+](=O)[O-] ZINC001731898409 1185555732 /nfs/dbraw/zinc/55/57/32/1185555732.db2.gz NZKQLKYPQPPYQC-UHFFFAOYSA-N 0 1 322.365 0.669 20 5 DCBDMN O=C(CCC(F)(F)F)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001736637326 1187011173 /nfs/dbraw/zinc/01/11/73/1187011173.db2.gz LSPAARZSRGUHPV-RKDXNWHRSA-N 0 1 323.271 0.665 20 5 DCBDMN CCc1oncc1C(=O)NCCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737139123 1187260189 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DCBDMN O=C(CC(F)(F)F)N(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001759082498 1190085475 /nfs/dbraw/zinc/08/54/75/1190085475.db2.gz ASGMSHAJNBWLNW-RKDXNWHRSA-N 0 1 323.271 0.711 20 5 DCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccn(C)c1 ZINC001759545675 1190206427 /nfs/dbraw/zinc/20/64/27/1190206427.db2.gz IFEAUERERCMFHE-VXGBXAGGSA-N 0 1 308.338 0.221 20 5 DCBDMN Cc1cc[nH]c1C(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001759692057 1190270372 /nfs/dbraw/zinc/27/03/72/1190270372.db2.gz YFARWXGXPAJBHN-LVUHIJSRSA-N 0 1 306.322 0.391 20 5 DCBDMN Cc1ccc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001759874942 1190325358 /nfs/dbraw/zinc/32/53/58/1190325358.db2.gz DCHRUJLNXWAECU-NXEZZACHSA-N 0 1 307.306 0.632 20 5 DCBDMN CN1CCO[C@@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC001164671897 719396772 /nfs/dbraw/zinc/39/67/72/719396772.db2.gz ZJQJOOLKTUDQGS-VHSXEESVSA-N 0 1 314.729 0.401 20 5 DCBDMN Cn1ncc(C(=O)NCCNCc2ccccc2[N+](=O)[O-])c1N ZINC001126099540 748218886 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0.925 20 5 DCBDMN COc1nc(-n2[n-]c(=O)c(CC[NH3+])c2C)nc(C)c1[N+](=O)[O-] ZINC001170341000 762623552 /nfs/dbraw/zinc/62/35/52/762623552.db2.gz WLWIGRKISZWJKG-UHFFFAOYSA-N 0 1 308.298 0.403 20 5 DCBDMN CC(C)[C@H](NCC[N+](=O)[O-])C(=O)N(C)Cc1nnc2n1CCC2 ZINC001169918547 760932285 /nfs/dbraw/zinc/93/22/85/760932285.db2.gz WDOGYXZVSFTBGU-ZDUSSCGKSA-N 0 1 324.385 0.074 20 5 DCBDMN CN(CCNC(=O)Cc1cnc[nH]1)c1ccc([N+](=O)[O-])cn1 ZINC001100354140 763514217 /nfs/dbraw/zinc/51/42/17/763514217.db2.gz LNRLKDCBMMDETM-UHFFFAOYSA-N 0 1 304.310 0.508 20 5 DCBDMN Cc1cnc(N(C)CCNC(=O)Cc2cnc[nH]2)c([N+](=O)[O-])c1 ZINC001100354139 763515006 /nfs/dbraw/zinc/51/50/06/763515006.db2.gz LMTKBOOOPSWCKV-UHFFFAOYSA-N 0 1 318.337 0.816 20 5 DCBDMN Cc1cc(NCCN(C)C(=O)Cc2ncn[nH]2)ncc1[N+](=O)[O-] ZINC001101771738 764312924 /nfs/dbraw/zinc/31/29/24/764312924.db2.gz AUORJKUKGGNLQG-UHFFFAOYSA-N 0 1 319.325 0.529 20 5 DCBDMN CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001133709863 765098276 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CC(C)CN(Cc1nn[nH]n1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC001153811710 769947983 /nfs/dbraw/zinc/94/79/83/769947983.db2.gz MSECEKNXMVKIRX-UHFFFAOYSA-N 0 1 308.302 0.140 20 5 DCBDMN CCOC(=O)c1c(CN)ncn1-c1ncc([N+](=O)[O-])c(OC)n1 ZINC001155076611 770386755 /nfs/dbraw/zinc/38/67/55/770386755.db2.gz ICQPTCXYEQEJSS-UHFFFAOYSA-N 0 1 322.281 0.215 20 5 DCBDMN COc1c(C(=O)NC[C@H](O)c2cnc[nH]2)cccc1[N+](=O)[O-] ZINC001155083266 770390590 /nfs/dbraw/zinc/39/05/90/770390590.db2.gz JJFOPYAQABCJFM-NSHDSACASA-N 0 1 306.278 0.790 20 5 DCBDMN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)c2cnc[nH]2)c1 ZINC001177837868 770559996 /nfs/dbraw/zinc/55/99/96/770559996.db2.gz OLDBAIHKKXTNTE-GFCCVEGCSA-N 0 1 306.278 0.790 20 5 DCBDMN C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001181441982 771292197 /nfs/dbraw/zinc/29/21/97/771292197.db2.gz JFIAISCYVYOJRX-JMJZKYOTSA-N 0 1 306.322 0.765 20 5 DCBDMN C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001181441982 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20 5 DCBDMN COC(=O)[C@@](C)(O)CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196908447 773666572 /nfs/dbraw/zinc/66/65/72/773666572.db2.gz QJKHRWIODBAOMM-KGLIPLIRSA-N 0 1 312.322 0.316 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)NC(C)(C)C ZINC001267241164 939400193 /nfs/dbraw/zinc/40/01/93/939400193.db2.gz MGOAFZHRQUALJC-GHMZBOCLSA-N 0 1 314.386 0.004 20 5 DCBDMN Cc1cc(CN(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])nn1C ZINC001272014165 941518703 /nfs/dbraw/zinc/51/87/03/941518703.db2.gz XNDNBDRQQTXFRO-CHWSQXEVSA-N 0 1 309.370 0.284 20 5 DCBDMN Cc1nn[nH]c1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001055974440 943155217 /nfs/dbraw/zinc/15/52/17/943155217.db2.gz GVYTZEHRKGHXOX-UHFFFAOYSA-N 0 1 317.309 0.379 20 5 DCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NC1(c2nnc[nH]2)CCC1 ZINC001323082824 946927084 /nfs/dbraw/zinc/92/70/84/946927084.db2.gz HJTANEVYXUUDOB-UHFFFAOYSA-N 0 1 305.298 0.413 20 5 DCBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC(N2CCN(C)CC2)C1 ZINC001261251662 947231365 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DCBDMN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nnc2n1CCC2 ZINC001331962857 951411249 /nfs/dbraw/zinc/41/12/49/951411249.db2.gz NTABIHJOSSFRFE-MWLCHTKSSA-N 0 1 321.341 0.041 20 5 DCBDMN CON1CC[C@H](N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC001333038790 951890944 /nfs/dbraw/zinc/89/09/44/951890944.db2.gz VUVKLXBMNDKOBP-NSHDSACASA-N 0 1 309.326 0.591 20 5 DCBDMN CCC1(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001348934594 954537826 /nfs/dbraw/zinc/53/78/26/954537826.db2.gz ORNGIWZBWPHKHJ-GHMZBOCLSA-N 0 1 313.354 0.091 20 5 DCBDMN Cc1nscc1C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001285527167 955765468 /nfs/dbraw/zinc/76/54/68/955765468.db2.gz VHUKFVXJQFLMQW-ONKIFHLLSA-N 0 1 324.362 0.519 20 5 DCBDMN CC(C)n1cccc1C(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355614996 956689753 /nfs/dbraw/zinc/68/97/53/956689753.db2.gz RQHHKKDNTGTCAH-DGCLKSJQSA-N 0 1 322.365 0.922 20 5 DCBDMN CC1(C(=O)N(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)CCC1 ZINC001356614482 956908387 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0 1 304.306 0.149 20 5 DCBDMN Cc1cnoc1C(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001533495211 1011424893 /nfs/dbraw/zinc/42/48/93/1011424893.db2.gz XZDFGBXBUXDAHA-JAFKPYBISA-N 0 1 308.294 0.050 20 5 DCBDMN Cc1cocc1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001535770765 1011974573 /nfs/dbraw/zinc/97/45/73/1011974573.db2.gz GVBMEXMEYUUPMP-MWLCHTKSSA-N 0 1 307.306 0.632 20 5 DCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2[nH]cnc2C12CCOCC2 ZINC001557204951 1012267350 /nfs/dbraw/zinc/26/73/50/1012267350.db2.gz QGJACUXZWJMQPT-MWLCHTKSSA-N 0 1 306.322 0.465 20 5 DCBDMN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2nc[nH]c2C12CCOCC2 ZINC001557204951 1012267364 /nfs/dbraw/zinc/26/73/64/1012267364.db2.gz QGJACUXZWJMQPT-MWLCHTKSSA-N 0 1 306.322 0.465 20 5 DCBDMN COc1ccc(C(=O)N2CC[C@@H](c3nn[nH]n3)C2)cc1[N+](=O)[O-] ZINC001558079890 1012320061 /nfs/dbraw/zinc/32/00/61/1012320061.db2.gz XFAGQKYNKIREMZ-SECBINFHSA-N 0 1 318.293 0.746 20 5 DCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nc[nH]n3)C2)n1 ZINC001558169483 1012332604 /nfs/dbraw/zinc/33/26/04/1012332604.db2.gz LJAZAHRWAJZQSW-MRVPVSSYSA-N 0 1 305.298 0.466 20 5 DCBDMN CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001458919704 1012468517 /nfs/dbraw/zinc/46/85/17/1012468517.db2.gz DNGFRVJZDQVYGK-HTQZYQBOSA-N 0 1 304.349 0.433 20 5 DCBDMN Cc1c(CNC[C@]2(O)CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC001461512928 1013025749 /nfs/dbraw/zinc/02/57/49/1013025749.db2.gz DXQZBQFQQZLZQZ-CYBMUJFWSA-N 0 1 314.363 0.542 20 5 DCBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@@H+](C)CCO ZINC001476452280 1017196969 /nfs/dbraw/zinc/19/69/69/1017196969.db2.gz DWLWQYWSUMWQJQ-UHFFFAOYSA-N 0 1 312.326 0.649 20 5 DCBDMN CCc1noc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001499221099 1017757829 /nfs/dbraw/zinc/75/78/29/1017757829.db2.gz IZMPKKLVNSETBG-RKDXNWHRSA-N 0 1 309.326 0.036 20 5 DCBDMN COc1ccc(S(=O)(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000286553227 219051675 /nfs/dbraw/zinc/05/16/75/219051675.db2.gz CUHKRPUDBCYADR-VIFPVBQESA-N 0 1 317.367 0.832 20 5 DCBDMN C[C@H]1CNCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000125670720 290935640 /nfs/dbraw/zinc/93/56/40/290935640.db2.gz KGSKUWMXNIMHRY-JTQLQIEISA-N 0 1 316.321 0.609 20 5 DCBDMN C[C@@H](CN1CCN(C)CC1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173593947 198231210 /nfs/dbraw/zinc/23/12/10/198231210.db2.gz BCIGTTWJLMGRIQ-ZDUSSCGKSA-N 0 1 320.393 0.889 20 5 DCBDMN Cc1nn(CCC(=O)N[C@@H](C)c2nnc[nH]2)c(C)c1[N+](=O)[O-] ZINC000174520819 198346326 /nfs/dbraw/zinc/34/63/26/198346326.db2.gz CEIFTAQWUYPZPL-QMMMGPOBSA-N 0 1 307.314 0.794 20 5 DCBDMN COC(=O)CNC(=O)[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180418049 199156828 /nfs/dbraw/zinc/15/68/28/199156828.db2.gz HOXNDDARJPZFOY-NXEZZACHSA-N 0 1 309.322 0.923 20 5 DCBDMN C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CCN1CC(C)(C)O ZINC000275445896 212337963 /nfs/dbraw/zinc/33/79/63/212337963.db2.gz GGNXMPCMRKFDGR-SECBINFHSA-N 0 1 310.358 0.248 20 5 DCBDMN CC1(C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000421938559 240113450 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COC(=O)CCNC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296670141 533434247 /nfs/dbraw/zinc/43/42/47/533434247.db2.gz GTLJMGGBEYABNL-JTQLQIEISA-N 0 1 309.322 0.925 20 5 DCBDMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000275469627 130324331 /nfs/dbraw/zinc/32/43/31/130324331.db2.gz RGKUYJZPNGIUGF-SNVBAGLBSA-N 0 1 310.354 0.840 20 5 DCBDMN CN(C)[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccsc1 ZINC000048249145 395811754 /nfs/dbraw/zinc/81/17/54/395811754.db2.gz TVIODHRRBHVMCW-SNVBAGLBSA-N 0 1 324.366 0.667 20 5 DCBDMN CN1CCN(C)[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000271191076 395845851 /nfs/dbraw/zinc/84/58/51/395845851.db2.gz SEFZWLUNPZXLHF-JTQLQIEISA-N 0 1 308.342 0.357 20 5 DCBDMN COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000271191976 395845934 /nfs/dbraw/zinc/84/59/34/395845934.db2.gz WBGCMKWMUPKROU-VIFPVBQESA-N 0 1 324.318 0.894 20 5 DCBDMN NC(=O)N[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273169626 395904844 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Cc1[nH]nc(C(=O)N2CCCC[C@@H]2CNC(N)=O)c1[N+](=O)[O-] ZINC000264232744 396263785 /nfs/dbraw/zinc/26/37/85/396263785.db2.gz WUWZSOHOEKVTAH-MRVPVSSYSA-N 0 1 310.314 0.289 20 5 DCBDMN CC[C@@H](O)CN1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000264500608 396286264 /nfs/dbraw/zinc/28/62/64/396286264.db2.gz XTTGUTMWWDOUFW-SNVBAGLBSA-N 0 1 311.342 0.155 20 5 DCBDMN Cc1nnc(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1C ZINC000286419146 396394703 /nfs/dbraw/zinc/39/47/03/396394703.db2.gz GBUIIBLCTRWXKD-UHFFFAOYSA-N 0 1 305.294 0.710 20 5 DCBDMN CCN1CCCC[C@@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269677048 396435626 /nfs/dbraw/zinc/43/56/26/396435626.db2.gz HJDJNQSXUQSHPP-GFCCVEGCSA-N 0 1 322.365 0.747 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CC3(C2)CN(C)C(=O)O3)c1[N+](=O)[O-] ZINC000497072242 396489259 /nfs/dbraw/zinc/48/92/59/396489259.db2.gz NFQAVLVGYWYWAT-UHFFFAOYSA-N 0 1 323.309 0.547 20 5 DCBDMN O=C(N[C@H]1CCCC[C@H]1N1CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000372853703 396549602 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CC(C)Oc1cc(C(=O)NCc2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000591178218 396883492 /nfs/dbraw/zinc/88/34/92/396883492.db2.gz IBCBAGWZSRSPGH-UHFFFAOYSA-N 0 1 306.282 0.825 20 5 DCBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCN1CC[C@@H](O)C1 ZINC000600534401 396885106 /nfs/dbraw/zinc/88/51/06/396885106.db2.gz PEONDSUWZODERG-GFCCVEGCSA-N 0 1 311.313 0.459 20 5 DCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN([C@H]2CCOC2)CC1 ZINC000611558533 396886404 /nfs/dbraw/zinc/88/64/04/396886404.db2.gz CREAYFSYAVKKKY-LBPRGKRZSA-N 0 1 321.333 0.847 20 5 DCBDMN Cn1cnc2c(c1=O)CCN(Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000332555936 396887760 /nfs/dbraw/zinc/88/77/60/396887760.db2.gz SZFSCHIRBDUIAV-UHFFFAOYSA-N 0 1 316.317 0.952 20 5 DCBDMN Cc1nc(CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000597198916 396911677 /nfs/dbraw/zinc/91/16/77/396911677.db2.gz JUNXOLSZIACEGP-UHFFFAOYSA-N 0 1 305.294 0.759 20 5 DCBDMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000572831123 397098816 /nfs/dbraw/zinc/09/88/16/397098816.db2.gz 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CC(C)[C@@H]1CNCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000602526232 397430386 /nfs/dbraw/zinc/43/03/86/397430386.db2.gz FJMMDGNFZLZVBE-LBPRGKRZSA-N 0 1 308.338 0.213 20 5 DCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCNC[C@@H]1C(C)C ZINC000602527004 397430503 /nfs/dbraw/zinc/43/05/03/397430503.db2.gz HOYQJESCRPZOSQ-GFCCVEGCSA-N 0 1 309.370 0.946 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](n3cncn3)C2)c1[N+](=O)[O-] ZINC000614456454 397443007 /nfs/dbraw/zinc/44/30/07/397443007.db2.gz QCZFMNJISLBZOE-MRVPVSSYSA-N 0 1 305.298 0.559 20 5 DCBDMN COCCN1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000609269800 397768462 /nfs/dbraw/zinc/76/84/62/397768462.db2.gz WWEJFAUZPMUQEI-NSHDSACASA-N 0 1 311.342 0.018 20 5 DCBDMN C[C@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000610262583 397810555 /nfs/dbraw/zinc/81/05/55/397810555.db2.gz KRLOEWIYFIJDFO-SECBINFHSA-N 0 1 314.367 0.751 20 5 DCBDMN O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000051065242 158013151 /nfs/dbraw/zinc/01/31/51/158013151.db2.gz UUKMWTMBENPXNA-VXGBXAGGSA-N 0 1 307.306 0.666 20 5 DCBDMN CS(=O)(=O)c1cccc(NCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000089620320 158098138 /nfs/dbraw/zinc/09/81/38/158098138.db2.gz SICXVVNAWJOXFF-UHFFFAOYSA-N 0 1 311.323 0.771 20 5 DCBDMN NC(=O)C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCC1 ZINC000119000485 158181795 /nfs/dbraw/zinc/18/17/95/158181795.db2.gz BVHZLHYKBJMCBN-VIFPVBQESA-N 0 1 309.326 0.872 20 5 DCBDMN NC(=O)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000137100372 287027983 /nfs/dbraw/zinc/02/79/83/287027983.db2.gz SGICWKGMMWSMAV-VIFPVBQESA-N 0 1 307.241 0.413 20 5 DCBDMN CCO[C@@H]1COCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000362015504 287217207 /nfs/dbraw/zinc/21/72/07/287217207.db2.gz OHAXVGMUFVXXFS-TZMCWYRMSA-N 0 1 323.349 0.977 20 5 DCBDMN C[C@H]1CNCCN1C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419046005 287263688 /nfs/dbraw/zinc/26/36/88/287263688.db2.gz XBQXBLIEUADUJS-NSHDSACASA-N 0 1 320.349 0.074 20 5 DCBDMN C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000268248059 415183993 /nfs/dbraw/zinc/18/39/93/415183993.db2.gz WKMVYUJICMHWPW-PELKAZGASA-N 0 1 306.322 0.908 20 5 DCBDMN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000268248059 415184000 /nfs/dbraw/zinc/18/40/00/415184000.db2.gz WKMVYUJICMHWPW-PELKAZGASA-N 0 1 306.322 0.908 20 5 DCBDMN Cc1cc(N2CCC(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000275999547 415407640 /nfs/dbraw/zinc/40/76/40/415407640.db2.gz NQKIMPALYHUINE-UHFFFAOYSA-N 0 1 319.325 0.748 20 5 DCBDMN CCSc1nnc(NC(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000343175347 415487138 /nfs/dbraw/zinc/48/71/38/415487138.db2.gz HNNSEMCMKZGYNW-UHFFFAOYSA-N 0 1 300.325 1.534 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-]C2(C[NH3+])CCCC2)c([N+](=O)[O-])n1 ZINC000353214248 415475153 /nfs/dbraw/zinc/47/51/53/415475153.db2.gz FVJHGTFFPGRLBH-UHFFFAOYSA-N 0 1 317.371 0.361 20 5 DCBDMN CC1(C)CNC(=O)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000282063477 415579592 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CC[C@@H](C)N1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000297200615 415958325 /nfs/dbraw/zinc/95/83/25/415958325.db2.gz GNZCOBKJKXZSSQ-GFCCVEGCSA-N 0 1 324.385 0.917 20 5 DCBDMN NC(=O)c1cc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)on1 ZINC000356772783 415984464 /nfs/dbraw/zinc/98/44/64/415984464.db2.gz NNSZDYBGCQAKCD-UHFFFAOYSA-N 0 1 306.234 0.317 20 5 DCBDMN CO[C@H]1C[C@H](CN(C)C(=O)c2cc([N+](=O)[O-])nn2C)N(C)C1 ZINC000344510027 415934298 /nfs/dbraw/zinc/93/42/98/415934298.db2.gz KNIXUPFPQWYYMX-ZJUUUORDSA-N 0 1 311.342 0.119 20 5 DCBDMN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])C[NH+]1CCOCC1 ZINC000179510850 416188241 /nfs/dbraw/zinc/18/82/41/416188241.db2.gz XDPTYSVOBNMPBF-NSHDSACASA-N 0 1 323.349 0.999 20 5 DCBDMN COC(=O)[C@@](C)(O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000358912766 416293959 /nfs/dbraw/zinc/29/39/59/416293959.db2.gz ZFQJUJCNSXOHBA-ZDUSSCGKSA-N 0 1 322.277 0.125 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CCN(C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000428578208 287328900 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/nfs/dbraw/zinc/90/35/27/685903527.db2.gz KDSJVDVLILJUEG-NXEZZACHSA-N 0 1 319.308 0.756 20 5 DCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ccccc2)C1 ZINC000954234741 685975816 /nfs/dbraw/zinc/97/58/16/685975816.db2.gz ILGPIKSZZZUOKQ-CHWSQXEVSA-N 0 1 303.318 0.635 20 5 DCBDMN Cc1cccnc1C(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954239719 685977410 /nfs/dbraw/zinc/97/74/10/685977410.db2.gz FAYKWQHISLZWBM-VXGBXAGGSA-N 0 1 318.333 0.338 20 5 DCBDMN CCn1cccc1C(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954329776 685997829 /nfs/dbraw/zinc/99/78/29/685997829.db2.gz CIHZRXHDYYLDHQ-DGCLKSJQSA-N 0 1 320.349 0.456 20 5 DCBDMN CN(C(=O)c1ccns1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954443701 686020181 /nfs/dbraw/zinc/02/01/81/686020181.db2.gz YCUNNWDEESZTFZ-RKDXNWHRSA-N 0 1 310.335 0.091 20 5 DCBDMN Cc1coc(C(=O)N(C)C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000955050658 686240763 /nfs/dbraw/zinc/24/07/63/686240763.db2.gz OBVHPXIGUBLLKT-GHMZBOCLSA-N 0 1 307.306 0.536 20 5 DCBDMN CCN(C(=O)c1ccns1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000968018950 690149190 /nfs/dbraw/zinc/14/91/90/690149190.db2.gz AZUJFRRPMBSCNJ-NXEZZACHSA-N 0 1 324.362 0.481 20 5 DCBDMN O=C(CC1(C(F)(F)F)CC1)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001720088382 1158941012 /nfs/dbraw/zinc/94/10/12/1158941012.db2.gz FPLDOPGZYVNWGB-HTQZYQBOSA-N 0 1 323.271 0.617 20 5 DCBDMN COCCC1(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001720089361 1158943775 /nfs/dbraw/zinc/94/37/75/1158943775.db2.gz PRFCRPKSZRWIGI-GHMZBOCLSA-N 0 1 313.354 0.091 20 5 DCBDMN Cc1nnc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001017544674 692934307 /nfs/dbraw/zinc/93/43/07/692934307.db2.gz ZCNOWLGXZGZFTC-WRWGMCAJSA-N 0 1 321.337 0.218 20 5 DCBDMN CC1(C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C3)CC1 ZINC001019091356 693351296 /nfs/dbraw/zinc/35/12/96/693351296.db2.gz CNMKCUAPEMBBCU-GHMZBOCLSA-N 0 1 307.350 0.513 20 5 DCBDMN O=C(N[C@H]1C[C@H](NCc2nc(C3CC3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139359 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20 5 DCBDMN CNc1c(C(=O)NC[C@@H](O)c2cnc[nH]2)cccc1[N+](=O)[O-] ZINC001455746352 1159761092 /nfs/dbraw/zinc/76/10/92/1159761092.db2.gz HJMXQVWKUKSSNM-LLVKDONJSA-N 0 1 305.294 0.823 20 5 DCBDMN CC(C)c1nnc(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001568848104 1160813785 /nfs/dbraw/zinc/81/37/85/1160813785.db2.gz GCARWLOYFLSZRA-YIZUVKHSSA-N 0 1 323.353 0.620 20 5 DCBDMN CC(C)n1cccc1C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001575821358 1164164644 /nfs/dbraw/zinc/16/46/44/1164164644.db2.gz CSRBUNJQHFASRK-DGCLKSJQSA-N 0 1 322.365 0.970 20 5 DCBDMN Cc1cc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)no1 ZINC001584866713 1166376656 /nfs/dbraw/zinc/37/66/56/1166376656.db2.gz ZGHICSPFAFGREJ-PSASIEDQSA-N 0 1 308.294 0.027 20 5 DCBDMN Cc1ncc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001584894180 1166381502 /nfs/dbraw/zinc/38/15/02/1166381502.db2.gz RFIRYZBJFATUNH-RKDXNWHRSA-N 0 1 324.362 0.495 20 5 DCBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CN(C)CCN1C ZINC001586538796 1166495384 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Cc1cc(Cn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)c(C)nn1 ZINC001605670449 1169984299 /nfs/dbraw/zinc/98/42/99/1169984299.db2.gz BFUCYGKTYKAWMS-UHFFFAOYSA-N 0 1 301.270 0.427 20 5 DCBDMN O=C(NCCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001606793796 1170291580 /nfs/dbraw/zinc/29/15/80/1170291580.db2.gz LPHPKNUGWJYBPR-GHMZBOCLSA-N 0 1 302.294 0.191 20 5 DCBDMN COCC[N@H+]1CC[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001606896298 1170325846 /nfs/dbraw/zinc/32/58/46/1170325846.db2.gz TTWPPWBWTPVOCP-VIFPVBQESA-N 0 1 310.310 0.821 20 5 DCBDMN C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@H]2[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001609854471 1171105704 /nfs/dbraw/zinc/10/57/04/1171105704.db2.gz VSTCTNPHTAPYHY-WISYIIOYSA-N 0 1 324.337 0.886 20 5 DCBDMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC001609871549 1171109165 /nfs/dbraw/zinc/10/91/65/1171109165.db2.gz QECLTVCGSPHILO-JTQLQIEISA-N 0 1 324.337 0.554 20 5 DCBDMN CN1C[C@@H](CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)OC1=O 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306.257 0.877 20 5 DCBDMN O=C(N=S1(=O)CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001640208331 1171870683 /nfs/dbraw/zinc/87/06/83/1171870683.db2.gz LVTKFZNPWVXDMY-UHFFFAOYSA-N 0 1 300.292 0.939 20 5 DCBDMN O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1c[nH]nc1[N+](=O)[O-] ZINC001647728956 1173053569 /nfs/dbraw/zinc/05/35/69/1173053569.db2.gz MFRAYLCQACLOOY-SNVBAGLBSA-N 0 1 309.326 0.301 20 5 DCBDMN O=C(NC[C@H]1CCN1C1CCOCC1)c1c[nH]nc1[N+](=O)[O-] ZINC001647728956 1173053573 /nfs/dbraw/zinc/05/35/73/1173053573.db2.gz MFRAYLCQACLOOY-SNVBAGLBSA-N 0 1 309.326 0.301 20 5 DCBDMN COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001648429002 1173074562 /nfs/dbraw/zinc/07/45/62/1173074562.db2.gz TUIYSRLPCXYRFG-KHQFGBGNSA-N 0 1 308.294 0.286 20 5 DCBDMN CS(=O)(=O)NCc1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001650655361 1173728948 /nfs/dbraw/zinc/72/89/48/1173728948.db2.gz AJWTYHANQNPGHY-MWLCHTKSSA-N 0 1 313.335 0.340 20 5 DCBDMN O=C(COc1ccccc1[N+](=O)[O-])N[C@H](CO)Cc1cnc[nH]1 ZINC001650644553 1173730003 /nfs/dbraw/zinc/73/00/03/1173730003.db2.gz DLURHQOAMRJDHH-NSHDSACASA-N 0 1 320.305 0.417 20 5 DCBDMN CCOC(=O)[C@@H](CSC)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001651915926 1173757861 /nfs/dbraw/zinc/75/78/61/1173757861.db2.gz CIDUDKZVKTUZFT-ZCFIWIBFSA-N 0 1 302.312 0.342 20 5 DCBDMN CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C(=O)OC ZINC001654876091 1173812308 /nfs/dbraw/zinc/81/23/08/1173812308.db2.gz XHYPFVFVGAMJNI-NSHDSACASA-N 0 1 314.342 0.426 20 5 DCBDMN CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C(=O)OC ZINC001654876091 1173812313 /nfs/dbraw/zinc/81/23/13/1173812313.db2.gz XHYPFVFVGAMJNI-NSHDSACASA-N 0 1 314.342 0.426 20 5 DCBDMN CN(CCNCc1ccccc1[N+](=O)[O-])C(=O)c1cnn(C)n1 ZINC001664248271 1174413576 /nfs/dbraw/zinc/41/35/76/1174413576.db2.gz IZHJWWMPYXEVPB-UHFFFAOYSA-N 0 1 318.337 0.585 20 5 DCBDMN Cc1cc(S(=O)(=O)N(C)Cc2nnc[nH]2)c([N+](=O)[O-])s1 ZINC001668946208 1174865287 /nfs/dbraw/zinc/86/52/87/1174865287.db2.gz JINGYDSDQUPFPN-UHFFFAOYSA-N 0 1 317.352 0.904 20 5 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/nfs/dbraw/zinc/66/46/08/771664608.db2.gz AOPFRYJCIOOUOB-NXEZZACHSA-N 0 1 311.342 0.454 20 5 DCBDMN Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])nc2)cc1N ZINC001203576106 771694354 /nfs/dbraw/zinc/69/43/54/771694354.db2.gz TVXRJENAVCRTQA-UHFFFAOYSA-N 0 1 309.307 0.955 20 5 DCBDMN Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1c(CN)nc2cnccc21 ZINC001162215888 772342073 /nfs/dbraw/zinc/34/20/73/772342073.db2.gz SGXFDYMEYLRRQA-UHFFFAOYSA-N 0 1 300.278 0.729 20 5 DCBDMN CNc1cc([N+](=O)[O-])cnc1NCc1nnc2n1CCCNC2 ZINC001163017387 772444558 /nfs/dbraw/zinc/44/45/58/772444558.db2.gz WZXATGUFOZLFQX-UHFFFAOYSA-N 0 1 318.341 0.728 20 5 DCBDMN NC(=O)c1cc([N+](=O)[O-])cnc1NCCNC(=O)C(F)(F)F ZINC001164237846 772629872 /nfs/dbraw/zinc/62/98/72/772629872.db2.gz JVGQEWZQZDCCPF-UHFFFAOYSA-N 0 1 321.215 0.179 20 5 DCBDMN COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001166591873 772828006 /nfs/dbraw/zinc/82/80/06/772828006.db2.gz LLTLZKQLZISVMN-JQCXWYLXSA-N 0 1 324.255 0.852 20 5 DCBDMN C[N+](C)(C)C[C@H](O)CC(=O)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227612866 775989922 /nfs/dbraw/zinc/98/99/22/775989922.db2.gz KTXJTUHHIAQSOV-SSDOTTSWSA-O 0 1 312.375 0.004 20 5 DCBDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cnco1 ZINC001067391988 777811868 /nfs/dbraw/zinc/81/18/68/777811868.db2.gz UXJOERWXAPXTEC-NXEZZACHSA-N 0 1 310.310 0.260 20 5 DCBDMN CCC(C)(C)NC(=O)CN(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267193648 939381127 /nfs/dbraw/zinc/38/11/27/939381127.db2.gz AMDQHZKXPULNBJ-GHMZBOCLSA-N 0 1 314.386 0.004 20 5 DCBDMN CN(CCNCc1ncc(C2CC2)o1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001481228649 939654297 /nfs/dbraw/zinc/65/42/97/939654297.db2.gz DBTRYIHSDJJAEP-GHMZBOCLSA-N 0 1 308.338 0.765 20 5 DCBDMN COc1cc(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC001268542066 940225786 /nfs/dbraw/zinc/22/57/86/940225786.db2.gz ONGZARSZUGCAMS-WUNPDAOYSA-N 0 1 310.310 0.110 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](c3nncn3C)C2)c1[N+](=O)[O-] ZINC001318301279 945312358 /nfs/dbraw/zinc/31/23/58/945312358.db2.gz DMNAMCYKFLSPDM-VIFPVBQESA-N 0 1 319.325 0.775 20 5 DCBDMN CCn1ncc(CN(C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001484741775 943543636 /nfs/dbraw/zinc/54/36/36/943543636.db2.gz CRYGTLKBTHJMEP-CHWSQXEVSA-N 0 1 324.385 0.244 20 5 DCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(Cc2cc(C3CC3)no2)CC1 ZINC001258291864 946818912 /nfs/dbraw/zinc/81/89/12/946818912.db2.gz HAYXKDVFFNJERD-TZMCWYRMSA-N 0 1 320.349 0.861 20 5 DCBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCN([C@H]2CCOC2)CC1 ZINC001261637495 947382923 /nfs/dbraw/zinc/38/29/23/947382923.db2.gz VSYCVTNFFWVUBT-AWEZNQCLSA-N 0 1 322.365 0.163 20 5 DCBDMN Cc1ccnc(NCCNC(=O)CCc2c[nH]nn2)c1[N+](=O)[O-] ZINC001094129786 947778551 /nfs/dbraw/zinc/77/85/51/947778551.db2.gz LLWHGYTXCWSSEF-UHFFFAOYSA-N 0 1 319.325 0.577 20 5 DCBDMN Cc1ccnc(NCCNC(=O)CCc2cnn[nH]2)c1[N+](=O)[O-] ZINC001094129786 947778558 /nfs/dbraw/zinc/77/85/58/947778558.db2.gz LLWHGYTXCWSSEF-UHFFFAOYSA-N 0 1 319.325 0.577 20 5 DCBDMN CN1CCC[C@H](NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC001325498838 947816631 /nfs/dbraw/zinc/81/66/31/947816631.db2.gz AFSSITWIDUPLSI-LBPRGKRZSA-N 0 1 320.349 0.421 20 5 DCBDMN Cc1cc(CN[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC001179525520 947854621 /nfs/dbraw/zinc/85/46/21/947854621.db2.gz OMMJAHIKVGUDBW-HUUCEWRRSA-N 0 1 320.349 0.821 20 5 DCBDMN C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001326420563 948156995 /nfs/dbraw/zinc/15/69/95/948156995.db2.gz BMXMCSSDEPTPHQ-NXEZZACHSA-N 0 1 324.337 0.579 20 5 DCBDMN C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001326420563 948157003 /nfs/dbraw/zinc/15/70/03/948157003.db2.gz BMXMCSSDEPTPHQ-NXEZZACHSA-N 0 1 324.337 0.579 20 5 DCBDMN CN(CCCN(C)C(=O)CC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC001280794742 951091387 /nfs/dbraw/zinc/09/13/87/951091387.db2.gz XDLLMYLWCYYLHD-UHFFFAOYSA-N 0 1 322.365 0.751 20 5 DCBDMN COCCn1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1=O ZINC001336383000 952688688 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Cc1[nH]nc(C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001347847370 954173383 /nfs/dbraw/zinc/17/33/83/954173383.db2.gz NBZMJHPYRYNTNA-RKDXNWHRSA-N 0 1 307.310 0.367 20 5 DCBDMN Cc1noc(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC001284521644 955155946 /nfs/dbraw/zinc/15/59/46/955155946.db2.gz FLBXQRGTTYUUHZ-NXEZZACHSA-N 0 1 310.310 0.145 20 5 DCBDMN CCN(CCNC(=O)c1ncccc1O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284607751 955197468 /nfs/dbraw/zinc/19/74/68/955197468.db2.gz JOQXWNDSLATQGV-NXEZZACHSA-N 0 1 322.321 0.031 20 5 DCBDMN CC(C)(C(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001285548543 955788347 /nfs/dbraw/zinc/78/83/47/955788347.db2.gz ZPLKGOQLSMETRI-OPVGQWETSA-N 0 1 309.366 0.876 20 5 DCBDMN O=C(Cc1cccnc1)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001285917870 956068186 /nfs/dbraw/zinc/06/81/86/956068186.db2.gz VTQVVNXWHZKICN-VXGBXAGGSA-N 0 1 318.333 0.054 20 5 DCBDMN O=C(CC(F)(F)F)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001290019502 956816741 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Cc1ccoc1CC(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491698726 959075059 /nfs/dbraw/zinc/07/50/59/959075059.db2.gz YMXKXVLKLRMMLO-GHMZBOCLSA-N 0 1 309.322 0.418 20 5 DCBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](c2nn[nH]n2)C1 ZINC001302936807 960036426 /nfs/dbraw/zinc/03/64/26/960036426.db2.gz KBTTVZVASJMQQM-MRVPVSSYSA-N 0 1 318.293 0.746 20 5 DCBDMN Cn1cc([C@@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)nn1 ZINC001308149461 960168017 /nfs/dbraw/zinc/16/80/17/960168017.db2.gz DLHZTTDVKIPZGK-LLVKDONJSA-N 0 1 305.342 0.799 20 5 DCBDMN O=C1NCCC2(CCN(CCn3ccc([N+](=O)[O-])n3)CC2)O1 ZINC001308126551 960168335 /nfs/dbraw/zinc/16/83/35/960168335.db2.gz OWBAGFKXQDRRPI-UHFFFAOYSA-N 0 1 309.326 0.756 20 5 DCBDMN COc1ncccc1CN(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001316822969 960357041 /nfs/dbraw/zinc/35/70/41/960357041.db2.gz AGOBKKZCNNPAOV-CHWSQXEVSA-N 0 1 322.365 0.694 20 5 DCBDMN CN(CCCNC(=O)COC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001523385944 1014682528 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DCBDMN C[C@](CO)(NCCNC(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC001473713618 1016960053 /nfs/dbraw/zinc/96/00/53/1016960053.db2.gz CAVHAMIXMPZAQA-OAHLLOKOSA-N 0 1 307.350 0.918 20 5 DCBDMN Cc1[nH]nc(C(=O)N2[C@H](C)CC[C@H](C(N)=O)[C@H]2C)c1[N+](=O)[O-] ZINC001452457229 1006842302 /nfs/dbraw/zinc/84/23/02/1006842302.db2.gz MDQVDOFIZYEFOH-VDAHYXPESA-N 0 1 309.326 0.741 20 5 DCBDMN O=C(Cc1c[nH]cn1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001444638481 1011108838 /nfs/dbraw/zinc/10/88/38/1011108838.db2.gz KTCRCHFILMCODP-SNVBAGLBSA-N 0 1 316.321 0.968 20 5 DCBDMN Cc1cc(C(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)[nH]1 ZINC001533492820 1011424275 /nfs/dbraw/zinc/42/42/75/1011424275.db2.gz LKBKQAGBGFLMBA-CDJBXZAQSA-N 0 1 320.349 0.699 20 5 DCBDMN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H](O)c1cnc[nH]1 ZINC001558341798 1012347533 /nfs/dbraw/zinc/34/75/33/1012347533.db2.gz NETAYJHZANOLRS-LBPRGKRZSA-N 0 1 306.278 0.547 20 5 DCBDMN Cn1nccc1[C@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001460848225 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317.305 0.855 20 5 DCBDMN CCn1ccnc1[C@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567892401 291388465 /nfs/dbraw/zinc/38/84/65/291388465.db2.gz VUXANLOMTXUNQN-JQWIXIFHSA-N 0 1 308.342 0.719 20 5 DCBDMN COc1cc(C(=O)NC[C@H]2CN(C)CCN2C)ccc1[N+](=O)[O-] ZINC000264758181 204133523 /nfs/dbraw/zinc/13/35/23/204133523.db2.gz NSZCIDKJGAPPKA-LBPRGKRZSA-N 0 1 322.365 0.579 20 5 DCBDMN NC(=O)N1CC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000265063225 204373552 /nfs/dbraw/zinc/37/35/52/204373552.db2.gz RECHQNMREPZMCW-ZETCQYMHSA-N 0 1 318.293 0.354 20 5 DCBDMN COC[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272895884 210285055 /nfs/dbraw/zinc/28/50/55/210285055.db2.gz BVVJBUIKOPJBDJ-JTQLQIEISA-N 0 1 302.352 0.993 20 5 DCBDMN NC(=O)c1ccc(CN2[C@H](CO)CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000347349581 254150347 /nfs/dbraw/zinc/15/03/47/254150347.db2.gz WFGGIJXUSHBOEK-RYUDHWBXSA-N 0 1 309.322 0.011 20 5 DCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)NC1(c2nn[nH]n2)CCCC1 ZINC000347511024 254163568 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Cc1[nH]nc(C(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000280533586 396206613 /nfs/dbraw/zinc/20/66/13/396206613.db2.gz MQULWRSERRDXFZ-AMIZOPFISA-N 0 1 310.310 0.646 20 5 DCBDMN CN(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1CCOCC1 ZINC000083245408 396313858 /nfs/dbraw/zinc/31/38/58/396313858.db2.gz OQYSPRRDKRMNIM-OAHLLOKOSA-N 0 1 309.366 0.720 20 5 DCBDMN NC(=O)[C@@H]1CCCN1CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000264536774 396288288 /nfs/dbraw/zinc/28/82/88/396288288.db2.gz NBCRPMXQXLOSIY-ZDUSSCGKSA-N 0 1 320.349 0.664 20 5 DCBDMN CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185376471 396326140 /nfs/dbraw/zinc/32/61/40/396326140.db2.gz VTBUFHCZFCYGEZ-UHFFFAOYSA-N 0 1 324.362 0.983 20 5 DCBDMN COC(=O)[C@H](C)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000268803699 396373026 /nfs/dbraw/zinc/37/30/26/396373026.db2.gz PYDAKEGVHVMZCV-SSDOTTSWSA-N 0 1 320.298 0.821 20 5 DCBDMN O=C([O-])C12CC(C1)C[N@@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000594733691 396503548 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O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000295510228 396698319 /nfs/dbraw/zinc/69/83/19/396698319.db2.gz PVLGHTWSZUENNE-SNVBAGLBSA-N 0 1 324.337 0.272 20 5 DCBDMN O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000295510228 396698321 /nfs/dbraw/zinc/69/83/21/396698321.db2.gz PVLGHTWSZUENNE-SNVBAGLBSA-N 0 1 324.337 0.272 20 5 DCBDMN COC1CCN(CCNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000610571651 396730500 /nfs/dbraw/zinc/73/05/00/396730500.db2.gz ONQIAKYOZPYYGP-UHFFFAOYSA-N 0 1 310.354 0.774 20 5 DCBDMN CC1(C)CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1CCO ZINC000596224279 396735921 /nfs/dbraw/zinc/73/59/21/396735921.db2.gz YPXMBWOIQAKZHW-UHFFFAOYSA-N 0 1 322.365 0.587 20 5 DCBDMN O=c1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000564442230 396832682 /nfs/dbraw/zinc/83/26/82/396832682.db2.gz CHEYXPOPNLOGON-NSHDSACASA-N 0 1 320.305 0.620 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCOC[C@@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000376206475 396894463 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20 5 DCBDMN COc1cccc(C(=O)N(C)Cc2n[nH]c(=O)o2)c1[N+](=O)[O-] ZINC000598746961 397289386 /nfs/dbraw/zinc/28/93/86/397289386.db2.gz WAANUHZREQBBFE-UHFFFAOYSA-N 0 1 308.250 0.964 20 5 DCBDMN C[C@@H]1[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)CN1C ZINC000593188437 397336527 /nfs/dbraw/zinc/33/65/27/397336527.db2.gz HFSFOCBOWUOVDK-QJPTWQEYSA-N 0 1 322.365 0.696 20 5 DCBDMN O=[N+]([O-])c1cnc(N2CCN(Cc3nnc[nH]3)CC2)c(F)c1 ZINC000593507184 397378597 /nfs/dbraw/zinc/37/85/97/397378597.db2.gz FJKRPRYANGMDEJ-UHFFFAOYSA-N 0 1 307.289 0.569 20 5 DCBDMN CC(C)[C@@H]1CNCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000602530981 397432089 /nfs/dbraw/zinc/43/20/89/397432089.db2.gz UEVLCYPDYOQQTJ-NSHDSACASA-N 0 1 308.338 0.213 20 5 DCBDMN Cc1nc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000593594969 397404303 /nfs/dbraw/zinc/40/43/03/397404303.db2.gz JECRZPGQCXBTGP-LURJTMIESA-N 0 1 312.311 0.456 20 5 DCBDMN O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593856753 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O=C(NCCc1nnc2ccccn21)c1n[nH]cc1[N+](=O)[O-] ZINC000763429980 668408986 /nfs/dbraw/zinc/40/89/86/668408986.db2.gz FCLRBLPBXYUNRD-UHFFFAOYSA-N 0 1 301.266 0.333 20 5 DCBDMN Cc1[nH]nc(C(=O)N(C)CC(C)(C)S(C)(=O)=O)c1[N+](=O)[O-] ZINC000765278440 668484246 /nfs/dbraw/zinc/48/42/46/668484246.db2.gz BBXRVQAVUDKKRJ-UHFFFAOYSA-N 0 1 318.355 0.522 20 5 DCBDMN O=C1N=NC2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCN12 ZINC000771812693 668752962 /nfs/dbraw/zinc/75/29/62/668752962.db2.gz MJNUWYCVJUJSLG-LLVKDONJSA-N 0 1 305.294 0.441 20 5 DCBDMN CCOC(=O)[C@@H]1CSCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000798138861 669987184 /nfs/dbraw/zinc/98/71/84/669987184.db2.gz NNYSLBOQZRZDDN-ZETCQYMHSA-N 0 1 314.323 0.705 20 5 DCBDMN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCc1c[nH]nn1 ZINC000800629893 670096080 /nfs/dbraw/zinc/09/60/80/670096080.db2.gz ZDYDHIMJXSEWEL-UHFFFAOYSA-N 0 1 322.256 0.415 20 5 DCBDMN Cc1nn(CN2CC[C@@H](CC(N)=O)C2)c2ncc([N+](=O)[O-])cc12 ZINC000808227449 670400993 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O=C(C1=CCCC1)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC000961355154 688599320 /nfs/dbraw/zinc/59/93/20/688599320.db2.gz VBFUGZVRFYQJBB-XJFOESAGSA-N 0 1 319.361 0.679 20 5 DCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cocc2C)C1 ZINC000967945017 690132860 /nfs/dbraw/zinc/13/28/60/690132860.db2.gz CPIUURNGHUCUIK-DGCLKSJQSA-N 0 1 321.333 0.926 20 5 DCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2nccs2)C1 ZINC000967949274 690135060 /nfs/dbraw/zinc/13/50/60/690135060.db2.gz ITNCWCPPHFFQJG-NXEZZACHSA-N 0 1 324.362 0.481 20 5 DCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cccnc2)C1 ZINC000967949822 690135220 /nfs/dbraw/zinc/13/52/20/690135220.db2.gz KRLNQRYIWPHTOE-CHWSQXEVSA-N 0 1 318.333 0.420 20 5 DCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2n[nH]cc2C)C1 ZINC000967950900 690135589 /nfs/dbraw/zinc/13/55/89/690135589.db2.gz ZOIVDYSIAQQWNG-GHMZBOCLSA-N 0 1 321.337 0.056 20 5 DCBDMN COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001011114639 691473078 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CC(C)c1n[n-]c(C(=O)NC[C@@H]2CCC3(C[NH2+]C3)O2)c1[N+](=O)[O-] ZINC001575847944 1164169885 /nfs/dbraw/zinc/16/98/85/1164169885.db2.gz SGZOLLGYLXSISO-VIFPVBQESA-N 0 1 323.353 0.692 20 5 DCBDMN CCc1n[nH]c(C(=O)NC2(Cc3c[nH]nn3)CCC2)c1[N+](=O)[O-] ZINC001576622366 1164416001 /nfs/dbraw/zinc/41/60/01/1164416001.db2.gz PTRLVHDBVODCPD-UHFFFAOYSA-N 0 1 319.325 0.894 20 5 DCBDMN CCc1n[nH]c(C(=O)NC2(Cc3cnn[nH]3)CCC2)c1[N+](=O)[O-] ZINC001576622366 1164416006 /nfs/dbraw/zinc/41/60/06/1164416006.db2.gz PTRLVHDBVODCPD-UHFFFAOYSA-N 0 1 319.325 0.894 20 5 DCBDMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccco1 ZINC001577540234 1164719311 /nfs/dbraw/zinc/71/93/11/1164719311.db2.gz OLZFDCNVSFCSKC-GHMZBOCLSA-N 0 1 309.322 0.913 20 5 DCBDMN Cc1ccc(C(=O)N(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001582933918 1166132977 /nfs/dbraw/zinc/13/29/77/1166132977.db2.gz IPVBMOURODJNRI-GHMZBOCLSA-N 0 1 309.322 0.784 20 5 DCBDMN O=C(NC/C=C/CNC(=O)C1CC2(CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001583310173 1166242115 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DCBDMN CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001593767638 1167961548 /nfs/dbraw/zinc/96/15/48/1167961548.db2.gz FOFWQTTUPVUDPK-QMMMGPOBSA-N 0 1 323.334 0.467 20 5 DCBDMN O=C(CCCc1nn[nH]n1)NCCc1cccc([N+](=O)[O-])c1 ZINC001598390432 1168020802 /nfs/dbraw/zinc/02/08/02/1168020802.db2.gz KPIWOZKIMWGVJO-UHFFFAOYSA-N 0 1 304.310 0.790 20 5 DCBDMN CC1(C)OC[C@H](CCn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)O1 ZINC001603793382 1169395557 /nfs/dbraw/zinc/39/55/57/1169395557.db2.gz UXENWZDQAXOZSV-ZETCQYMHSA-N 0 1 309.286 0.513 20 5 DCBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+]1CCC(=O)[O-] ZINC001604781287 1169678797 /nfs/dbraw/zinc/67/87/97/1169678797.db2.gz XYMLKKWGTOQBTD-JTQLQIEISA-N 0 1 324.337 0.554 20 5 DCBDMN O=C(Cn1cnc(-c2nn[nH]n2)n1)c1cccc([N+](=O)[O-])c1 ZINC001606623201 1170246745 /nfs/dbraw/zinc/24/67/45/1170246745.db2.gz AWUMGXIXWUPOFS-UHFFFAOYSA-N 0 1 300.238 0.249 20 5 DCBDMN O=[N+]([O-])c1c(NC[C@@H]2CSCC[NH2+]2)cccc1-c1nnn[n-]1 ZINC001607078170 1170383077 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CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1ccccc1F ZINC001737726439 1187394398 /nfs/dbraw/zinc/39/43/98/1187394398.db2.gz UHMWRSKRIDDVHC-DGCLKSJQSA-N 0 1 323.324 0.608 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1cnc(C)o1 ZINC001737797152 1187408676 /nfs/dbraw/zinc/40/86/76/1187408676.db2.gz DVMAKGAGMMASJK-VXGBXAGGSA-N 0 1 324.337 0.155 20 5 DCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cccnc1 ZINC001738344581 1187514612 /nfs/dbraw/zinc/51/46/12/1187514612.db2.gz ZRDVHECDOSKRRJ-VXGBXAGGSA-N 0 1 306.322 0.277 20 5 DCBDMN O=C(Cc1ccsc1)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001738751321 1187647708 /nfs/dbraw/zinc/64/77/08/1187647708.db2.gz PABZDNSHMSYDTA-GHMZBOCLSA-N 0 1 323.374 0.721 20 5 DCBDMN O=C(Cc1cscn1)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001747214865 1188251660 /nfs/dbraw/zinc/25/16/60/1188251660.db2.gz LKVXOCBKMLYUSR-JLVKAVFRSA-N 0 1 324.362 0.139 20 5 DCBDMN CCN(CCCNC(=O)c1ccon1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001758480996 1189903949 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BWNQAKOOUXWKSE-UHFFFAOYSA-N 0 1 309.330 0.296 20 5 DCBDMN CSCCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062482134 754761619 /nfs/dbraw/zinc/76/16/19/754761619.db2.gz LKCHLADZOGKRJD-NXEZZACHSA-N 0 1 315.395 0.560 20 5 DCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1cncs1 ZINC001062989744 755072032 /nfs/dbraw/zinc/07/20/32/755072032.db2.gz PMGJBBCMYGOKCY-RKDXNWHRSA-N 0 1 324.362 0.577 20 5 DCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC2(CN(C/C=C/Cl)C2)C1 ZINC001053253619 755975597 /nfs/dbraw/zinc/97/55/97/755975597.db2.gz RSXFDYORQNDFBP-COUIAZAYSA-N 0 1 315.757 0.317 20 5 DCBDMN O=C(c1ccn[nH]1)N1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC001055722376 756886525 /nfs/dbraw/zinc/88/65/25/756886525.db2.gz WUPGCJWNXXIZBD-UHFFFAOYSA-N 0 1 320.284 0.814 20 5 DCBDMN CCc1noc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001086084455 759694716 /nfs/dbraw/zinc/69/47/16/759694716.db2.gz RYVUTCZRXVJGBX-LMLFDSFASA-N 0 1 323.353 0.282 20 5 DCBDMN CN(CCCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)c1ccn[nH]1 ZINC001109370740 761382424 /nfs/dbraw/zinc/38/24/24/761382424.db2.gz CUACHOXPIORNNE-UHFFFAOYSA-N 0 1 320.313 0.264 20 5 DCBDMN Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)Cc2cnc[nH]2)n1 ZINC001100354300 763514870 /nfs/dbraw/zinc/51/48/70/763514870.db2.gz VMVKMARJPGKFKQ-UHFFFAOYSA-N 0 1 318.337 0.816 20 5 DCBDMN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CCN(C2CC2)C1 ZINC001116342072 765862157 /nfs/dbraw/zinc/86/21/57/765862157.db2.gz MBCSFDJXTUNNLV-SNVBAGLBSA-N 0 1 306.322 0.109 20 5 DCBDMN CC(=O)NC(C)(C)C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001135381242 765911002 /nfs/dbraw/zinc/91/10/02/765911002.db2.gz VNVLDPCFXLNPJB-UHFFFAOYSA-N 0 1 322.365 0.715 20 5 DCBDMN O=C(NCCNCc1ccccc1[N+](=O)[O-])C(=O)NCC1CC1 ZINC001135906041 766159451 /nfs/dbraw/zinc/15/94/51/766159451.db2.gz QRTVMIWJUSBOGO-UHFFFAOYSA-N 0 1 320.349 0.327 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](c3nnc[nH]3)C2)c1[N+](=O)[O-] ZINC001119012853 766504129 /nfs/dbraw/zinc/50/41/29/766504129.db2.gz DAIVQNMCRADPTR-ZETCQYMHSA-N 0 1 305.298 0.628 20 5 DCBDMN O=C(N[C@@H]1CN2CCC1CC2)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120686853 767137851 /nfs/dbraw/zinc/13/78/51/767137851.db2.gz CUWZYRUQZISQAJ-KGLIPLIRSA-N 0 1 305.334 0.839 20 5 DCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN2C(=O)CC[C@@]12c1ccccc1 ZINC001121219521 767466674 /nfs/dbraw/zinc/46/66/74/767466674.db2.gz IXEIHQHRKINJBB-IOASZLSFSA-N 0 1 315.329 0.969 20 5 DCBDMN Cc1cc(CC(=O)NCCNc2cc[nH]c(=O)c2[N+](=O)[O-])[nH]n1 ZINC001093552054 768622700 /nfs/dbraw/zinc/62/27/00/768622700.db2.gz ZSTARCXLHSHJIN-UHFFFAOYSA-N 0 1 320.309 0.498 20 5 DCBDMN Cc1nc(CC(=O)NCCNc2cc(C)c([N+](=O)[O-])cn2)n[nH]1 ZINC001093607233 768657658 /nfs/dbraw/zinc/65/76/58/768657658.db2.gz LUHYQBSDBMGSOB-UHFFFAOYSA-N 0 1 319.325 0.496 20 5 DCBDMN Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)Cc1nnc[nH]1 ZINC001093851476 768748042 /nfs/dbraw/zinc/74/80/42/768748042.db2.gz FQXNHLDDPUDKIJ-UHFFFAOYSA-N 0 1 305.298 0.187 20 5 DCBDMN CCN1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC001233623969 769414310 /nfs/dbraw/zinc/41/43/10/769414310.db2.gz MLKIORJAODENNA-SNVBAGLBSA-N 0 1 315.351 0.715 20 5 DCBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H](O)c1cnc[nH]1 ZINC001155083890 770391042 /nfs/dbraw/zinc/39/10/42/770391042.db2.gz PHXPMCMCZKTMQP-LBPRGKRZSA-N 0 1 308.269 0.849 20 5 DCBDMN CCOC(=O)C1=C(Nc2cc([N+](=O)[O-])cc[n+]2[O-])[C@@H](C)OC1 ZINC001157380425 771598778 /nfs/dbraw/zinc/59/87/78/771598778.db2.gz GKUFPSANTLVUFG-MRVPVSSYSA-N 0 1 309.278 0.876 20 5 DCBDMN O=C(NCCCNCc1noc(C2CCC2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767258 771666140 /nfs/dbraw/zinc/66/61/40/771666140.db2.gz JWWMZAMSUARWAO-GHMZBOCLSA-N 0 1 323.353 0.598 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCn3c(C)nnc3[C@@H]2C)c1[N+](=O)[O-] ZINC001160136648 772000193 /nfs/dbraw/zinc/00/01/93/772000193.db2.gz PHARIVHBROWPSI-ZETCQYMHSA-N 0 1 305.298 0.743 20 5 DCBDMN COc1nc(C)nc(NCCNC(=O)C(F)(F)F)c1[N+](=O)[O-] ZINC001164238375 772629859 /nfs/dbraw/zinc/62/98/59/772629859.db2.gz UUPGCXBQCBZCEI-UHFFFAOYSA-N 0 1 323.231 0.792 20 5 DCBDMN COc1nc(N2CC(N(C)[C@@H]3CCOC3)C2)ncc1[N+](=O)[O-] ZINC001165203782 772703990 /nfs/dbraw/zinc/70/39/90/772703990.db2.gz GFQDLFNKSGGFRO-SECBINFHSA-N 0 1 309.326 0.303 20 5 DCBDMN CC(C)Oc1nc(N2CCNC(=O)C23CNC3)ccc1[N+](=O)[O-] ZINC001165301333 772721155 /nfs/dbraw/zinc/72/11/55/772721155.db2.gz SNCFEJKTGMPRKI-UHFFFAOYSA-N 0 1 321.337 0.055 20 5 DCBDMN Cc1cc([N+](=O)[O-])cnc1N(C)CCCNC(=O)c1ncn[nH]1 ZINC001095608741 775259602 /nfs/dbraw/zinc/25/96/02/775259602.db2.gz OMGSVQKQOHCUNR-UHFFFAOYSA-N 0 1 319.325 0.673 20 5 DCBDMN Cc1cc([N+](=O)[O-])cnc1N(C)CCCNC(=O)c1nc[nH]n1 ZINC001095608741 775259608 /nfs/dbraw/zinc/25/96/08/775259608.db2.gz OMGSVQKQOHCUNR-UHFFFAOYSA-N 0 1 319.325 0.673 20 5 DCBDMN Cc1ccc([N+](=O)[O-])c(N(C)CCCNC(=O)c2ncn[nH]2)n1 ZINC001095608936 775259983 /nfs/dbraw/zinc/25/99/83/775259983.db2.gz ZTDPTCKMJSLJLJ-UHFFFAOYSA-N 0 1 319.325 0.673 20 5 DCBDMN Cc1ccc([N+](=O)[O-])c(N(C)CCCNC(=O)c2nc[nH]n2)n1 ZINC001095608936 775259989 /nfs/dbraw/zinc/25/99/89/775259989.db2.gz ZTDPTCKMJSLJLJ-UHFFFAOYSA-N 0 1 319.325 0.673 20 5 DCBDMN CN(CCCNC(=O)c1cnn[nH]1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001095778761 775665138 /nfs/dbraw/zinc/66/51/38/775665138.db2.gz MXCRTCLWLXPDSE-UHFFFAOYSA-N 0 1 321.297 0.070 20 5 DCBDMN O=c1cc(O)nc(O[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)[nH]1 ZINC001228389325 776077962 /nfs/dbraw/zinc/07/79/62/776077962.db2.gz VTZVISUWTFEDCR-VIFPVBQESA-N 0 1 319.277 0.849 20 5 DCBDMN CCOCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001066993350 776592030 /nfs/dbraw/zinc/59/20/30/776592030.db2.gz SZJQZRLUMZSFQJ-VXGBXAGGSA-N 0 1 315.370 0.385 20 5 DCBDMN O=C(CC(F)(F)C(F)F)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491284438 943892516 /nfs/dbraw/zinc/89/25/16/943892516.db2.gz WEAYZLYKGRLDMN-PHDIDXHHSA-N 0 1 315.223 0.175 20 5 DCBDMN C[C@@H]1C[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CN1C1CC1 ZINC001319591298 945626915 /nfs/dbraw/zinc/62/69/15/945626915.db2.gz HOTFMMZKZXXTSC-MNOVXSKESA-N 0 1 320.349 0.498 20 5 DCBDMN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@H](O)Cn1ccnn1 ZINC001462331304 1013063001 /nfs/dbraw/zinc/06/30/01/1013063001.db2.gz IWHCYOHSMLXAFZ-LLVKDONJSA-N 0 1 311.729 0.990 20 5 DCBDMN CC(=O)N1CC[C@@H](CN(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC001253634736 946146182 /nfs/dbraw/zinc/14/61/82/946146182.db2.gz RLWYBAZXEZXYFI-JTQLQIEISA-N 0 1 309.326 0.567 20 5 DCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(F)(F)[C@@H](CO)C2)c1 ZINC001324277305 947375602 /nfs/dbraw/zinc/37/56/02/947375602.db2.gz GBCOWXJGPXRKEG-MWLCHTKSSA-N 0 1 320.296 0.102 20 5 DCBDMN CN(C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC001191801698 947990204 /nfs/dbraw/zinc/99/02/04/947990204.db2.gz OKGPJEAPXRNRRN-UHFFFAOYSA-N 0 1 300.340 0.362 20 5 DCBDMN O=C(NCCCN(Cc1ncccn1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001266135351 950411473 /nfs/dbraw/zinc/41/14/73/950411473.db2.gz HDRMYRRLVQSFOI-CHWSQXEVSA-N 0 1 319.365 0.613 20 5 DCBDMN C[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001576214235 950660987 /nfs/dbraw/zinc/66/09/87/950660987.db2.gz NOWQFGSMGQEUNL-ZANVPECISA-N 0 1 318.337 0.978 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-]CC[C@@H](C)[NH2+]C)c([N+](=O)[O-])n1 ZINC001332325762 951587838 /nfs/dbraw/zinc/58/78/38/951587838.db2.gz RRGGAGIZOGDLTH-MRVPVSSYSA-N 0 1 305.360 0.088 20 5 DCBDMN Cc1nn(C)c(C(=O)N(C)C[C@@H](C)c2nn[nH]n2)c1[N+](=O)[O-] ZINC001338286850 952989910 /nfs/dbraw/zinc/98/99/10/952989910.db2.gz HEIRPURBNDGCBV-ZCFIWIBFSA-N 0 1 308.302 0.026 20 5 DCBDMN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCNC[C@H]1CO ZINC001340953725 953204935 /nfs/dbraw/zinc/20/49/35/953204935.db2.gz OPJJSQBZIURZKN-LBPRGKRZSA-N 0 1 311.313 0.459 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCC3(CNC(=O)C3)CC2)c1[N+](=O)[O-] ZINC001343794724 953375952 /nfs/dbraw/zinc/37/59/52/953375952.db2.gz OISUGEBLNSUREO-UHFFFAOYSA-N 0 1 321.337 0.623 20 5 DCBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc2c(c1)CCC2 ZINC001283005680 953907175 /nfs/dbraw/zinc/90/71/75/953907175.db2.gz YCTZRMJAEQAFTJ-ZIAGYGMSSA-N 0 1 317.345 0.687 20 5 DCBDMN C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001350863263 955207909 /nfs/dbraw/zinc/20/79/09/955207909.db2.gz ZJLBUZRBONTTMV-IAQYHMDHSA-N 0 1 316.361 0.872 20 5 DCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CC(C)(F)F ZINC001285367016 955602348 /nfs/dbraw/zinc/60/23/48/955602348.db2.gz CJXWXPKGPFDTSM-RKDXNWHRSA-N 0 1 307.297 0.614 20 5 DCBDMN Cc1nocc1C(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001285542334 955782128 /nfs/dbraw/zinc/78/21/28/955782128.db2.gz BQDKVROTYBSXJQ-NWRGJWMSSA-N 0 1 308.294 0.050 20 5 DCBDMN O=C(CCc1ccon1)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001353772939 956183959 /nfs/dbraw/zinc/18/39/59/956183959.db2.gz RASIXLJNMOYSQB-WRWGMCAJSA-N 0 1 322.321 0.036 20 5 DCBDMN CCN(CCNC(=O)c1cnc(C)cn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355963210 956751941 /nfs/dbraw/zinc/75/19/41/956751941.db2.gz RECKIHBYBGMGFV-ZYHUDNBSSA-N 0 1 321.337 0.029 20 5 DCBDMN Cc1cocc1C(=O)NCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001356639242 956917507 /nfs/dbraw/zinc/91/75/07/956917507.db2.gz RQSRMLOKHMNADH-DGCLKSJQSA-N 0 1 321.333 0.974 20 5 DCBDMN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CN(C)CCN1C ZINC001293745159 957422845 /nfs/dbraw/zinc/42/28/45/957422845.db2.gz OOIPAQFDJVBBHJ-GXFFZTMASA-N 0 1 321.381 0.541 20 5 DCBDMN CN(CCNC(=O)/C=C/c1ccco1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001295990375 957862841 /nfs/dbraw/zinc/86/28/41/957862841.db2.gz SLQXXWXYNLHCSY-GKUNOOHESA-N 0 1 307.306 0.533 20 5 DCBDMN CN(CCNC(=O)c1ncoc1C1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296237137 957934328 /nfs/dbraw/zinc/93/43/28/957934328.db2.gz DTBXZXBQFGNXLY-NXEZZACHSA-N 0 1 322.321 0.405 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1ccc[nH]1 ZINC001296300445 957952012 /nfs/dbraw/zinc/95/20/12/957952012.db2.gz FTJDCRORFDCASU-VXGBXAGGSA-N 0 1 308.338 0.187 20 5 DCBDMN CCCN(CCNC(=O)c1c[nH]cc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296504344 958003490 /nfs/dbraw/zinc/00/34/90/958003490.db2.gz LCVZMQPBJHNDCQ-DGCLKSJQSA-N 0 1 322.365 0.957 20 5 DCBDMN Cc1[nH]ccc1C(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001298338675 958557150 /nfs/dbraw/zinc/55/71/50/958557150.db2.gz VPWVBMCSUCTUOH-JDEDCZITSA-N 0 1 306.322 0.391 20 5 DCBDMN CCOCC(=O)NCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001492161198 959645352 /nfs/dbraw/zinc/64/53/52/959645352.db2.gz GSDOSRANUAGQOM-VXGBXAGGSA-N 0 1 313.354 0.043 20 5 DCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCc2nc[nH]c2C12CCC2 ZINC001303217523 960044040 /nfs/dbraw/zinc/04/40/40/960044040.db2.gz IWNYFNJRBVEKSA-UHFFFAOYSA-N 0 1 316.321 0.979 20 5 DCBDMN O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](c3nn[nH]n3)C2)c1 ZINC001308036014 960163728 /nfs/dbraw/zinc/16/37/28/960163728.db2.gz TVRILTQQGJROAD-SNVBAGLBSA-N 0 1 304.310 0.976 20 5 DCBDMN O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](c3nnn[n-]3)C2)c1 ZINC001308036014 960163735 /nfs/dbraw/zinc/16/37/35/960163735.db2.gz TVRILTQQGJROAD-SNVBAGLBSA-N 0 1 304.310 0.976 20 5 DCBDMN O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](c3nnn[n-]3)C2)c1 ZINC001308036014 960163745 /nfs/dbraw/zinc/16/37/45/960163745.db2.gz TVRILTQQGJROAD-SNVBAGLBSA-N 0 1 304.310 0.976 20 5 DCBDMN CC(C)(C)c1nc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])co1 ZINC001522628001 1014256444 /nfs/dbraw/zinc/25/64/44/1014256444.db2.gz PDZRCQBODDIZCK-PSASIEDQSA-N 0 1 324.337 0.483 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1nccc(C)n1 ZINC001528844635 1014438702 /nfs/dbraw/zinc/43/87/02/1014438702.db2.gz GHIVIZSMGQBMBV-GHMZBOCLSA-N 0 1 321.337 0.029 20 5 DCBDMN CCCN(CCNC(=O)c1ccon1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001529495149 1014558702 /nfs/dbraw/zinc/55/87/02/1014558702.db2.gz QJWYMGZQBXVIQP-MWLCHTKSSA-N 0 1 310.310 0.308 20 5 DCBDMN CCc1nc(C(=O)NCCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])co1 ZINC001523418074 1014699732 /nfs/dbraw/zinc/69/97/32/1014699732.db2.gz LFUDKHYSDDSWFZ-MWLCHTKSSA-N 0 1 324.337 0.481 20 5 DCBDMN O=C(CCc1ccccc1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001530640457 1014853009 /nfs/dbraw/zinc/85/30/09/1014853009.db2.gz HVJGOTHQHSXFIZ-ZIAGYGMSSA-N 0 1 317.345 0.611 20 5 DCBDMN COc1c(C(=O)N[C@H](CO)CN2CCCC2)cccc1[N+](=O)[O-] ZINC001450598786 1015239941 /nfs/dbraw/zinc/23/99/41/1015239941.db2.gz FEWNCEMXWPGMCD-NSHDSACASA-N 0 1 323.349 0.790 20 5 DCBDMN C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594032063 997612625 /nfs/dbraw/zinc/61/26/25/997612625.db2.gz MDBOADIPKVDWBM-FZMZJTMJSA-N 0 1 310.306 0.611 20 5 DCBDMN C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594032065 997614244 /nfs/dbraw/zinc/61/42/44/997614244.db2.gz MDBOADIPKVDWBM-SMDDNHRTSA-N 0 1 310.306 0.611 20 5 DCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC001469256892 1016323987 /nfs/dbraw/zinc/32/39/87/1016323987.db2.gz VFQOQYLLVXPDNV-VIFPVBQESA-N 0 1 305.298 0.234 20 5 DCBDMN COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001472084358 1016723059 /nfs/dbraw/zinc/72/30/59/1016723059.db2.gz LMYYYXWDZCUNQD-SNVBAGLBSA-N 0 1 312.326 0.446 20 5 DCBDMN COC(=O)[C@@H]1CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001439647605 1007110545 /nfs/dbraw/zinc/11/05/45/1007110545.db2.gz HAKAHSINGZNRNF-JTQLQIEISA-N 0 1 304.262 0.859 20 5 DCBDMN O=C(Nc1ccc(N2C(=O)CCC2=O)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001440104782 1007493433 /nfs/dbraw/zinc/49/34/33/1007493433.db2.gz JANCKGQWARWNHG-GHMZBOCLSA-N 0 1 303.274 0.944 20 5 DCBDMN Cn1cnc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1Br ZINC001520790309 1017309927 /nfs/dbraw/zinc/30/99/27/1017309927.db2.gz DHKSZANZXPMEOZ-HTRCEHHLSA-N 0 1 317.143 0.507 20 5 DCBDMN O=C(NC/C=C\CNC(=O)C1C=CC=CC=C1)[C@@H]1CC1[N+](=O)[O-] ZINC001533491297 1011422394 /nfs/dbraw/zinc/42/23/94/1011422394.db2.gz FSYFNQPTYXNFEX-HLMASZERSA-N 0 1 317.345 0.739 20 5 DCBDMN CCC1(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCC1 ZINC001535784010 1011974818 /nfs/dbraw/zinc/97/48/18/1011974818.db2.gz AJQITFWEHMJPKM-GHMZBOCLSA-N 0 1 309.366 0.997 20 5 DCBDMN O=C(NC1(CNC(=O)C2(CF)CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001536003368 1012015407 /nfs/dbraw/zinc/01/54/07/1012015407.db2.gz YXDUKWKBEFIPAB-NXEZZACHSA-N 0 1 313.329 0.556 20 5 DCBDMN O=C(Nc1ccc(C2CC(=O)NC(=O)C2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001556822686 1012232429 /nfs/dbraw/zinc/23/24/29/1012232429.db2.gz ZMOBBSDKNXYJRJ-VXGBXAGGSA-N 0 1 317.301 0.811 20 5 DCBDMN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)c1cnc[nH]1 ZINC001558341795 1012346828 /nfs/dbraw/zinc/34/68/28/1012346828.db2.gz NETAYJHZANOLRS-GFCCVEGCSA-N 0 1 306.278 0.547 20 5 DCBDMN CC(C)(O)C[C@H](O)CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001460622245 1012947480 /nfs/dbraw/zinc/94/74/80/1012947480.db2.gz USLREGBSDULJQP-ZFWWWQNUSA-N 0 1 312.366 0.914 20 5 DCBDMN CC(C)(O)C[C@@H](O)CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001460622244 1012947803 /nfs/dbraw/zinc/94/78/03/1012947803.db2.gz USLREGBSDULJQP-UKRRQHHQSA-N 0 1 312.366 0.914 20 5 DCBDMN Cn1nccc1CN[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001461736515 1013039512 /nfs/dbraw/zinc/03/95/12/1013039512.db2.gz VEXFPHRARPIHQK-ZIAGYGMSSA-N 0 1 306.322 0.512 20 5 DCBDMN COc1cncc(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC001475651525 1017132519 /nfs/dbraw/zinc/13/25/19/1017132519.db2.gz CQDJXOWFZQUBGK-UHFFFAOYSA-N 0 1 324.318 0.872 20 5 DCBDMN C[C@@H](CN(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000286838362 219189784 /nfs/dbraw/zinc/18/97/84/219189784.db2.gz WMMNIJUBZLLETQ-QMMMGPOBSA-N 0 1 305.331 0.962 20 5 DCBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCc1nc[nH]n1 ZINC000080623803 192174538 /nfs/dbraw/zinc/17/45/38/192174538.db2.gz FXEFBMPFSHYQFV-UHFFFAOYSA-N 0 1 311.323 0.542 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCO[C@@]3(CCO[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000280118581 215390034 /nfs/dbraw/zinc/39/00/34/215390034.db2.gz RYRKLWJGUSZWGH-OTYXRUKQSA-N 0 1 324.337 0.900 20 5 DCBDMN CCn1cc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)c([N+](=O)[O-])n1 ZINC000332603782 235180378 /nfs/dbraw/zinc/18/03/78/235180378.db2.gz ADJOOTAMMRJHRH-SECBINFHSA-N 0 1 317.371 0.136 20 5 DCBDMN CNC(=O)[C@H](C)CN(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000081526480 192283814 /nfs/dbraw/zinc/28/38/14/192283814.db2.gz IYRIFLLQGLVCBW-LLVKDONJSA-N 0 1 322.365 0.872 20 5 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COc1ccc(NC(=O)NCCN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599770599 397524473 /nfs/dbraw/zinc/52/44/73/397524473.db2.gz OSYPSASZGVCLCO-LLVKDONJSA-N 0 1 324.337 0.792 20 5 DCBDMN C[C@H]1COCC[N@H+]1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000579850246 397595782 /nfs/dbraw/zinc/59/57/82/397595782.db2.gz RPWNWRHKNVOVBE-ZDUSSCGKSA-N 0 1 323.397 0.976 20 5 DCBDMN COCCN1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000609268804 397768353 /nfs/dbraw/zinc/76/83/53/397768353.db2.gz CGDOQSSDLRHOQM-NSHDSACASA-N 0 1 310.354 0.774 20 5 DCBDMN C[C@H](CN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000609311746 397769740 /nfs/dbraw/zinc/76/97/40/397769740.db2.gz VIGISRNRQPSTOU-LLVKDONJSA-N 0 1 309.370 0.299 20 5 DCBDMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1C[NH2+]CCO1 ZINC000126853200 158268665 /nfs/dbraw/zinc/26/86/65/158268665.db2.gz ZMOUVQBEHOTGOZ-MRVPVSSYSA-N 0 1 319.314 0.001 20 5 DCBDMN COCCO[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000330439711 159173589 /nfs/dbraw/zinc/17/35/89/159173589.db2.gz RGPRIGALEKVELR-SNVBAGLBSA-N 0 1 312.326 0.894 20 5 DCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000332122408 415255785 /nfs/dbraw/zinc/25/57/85/415255785.db2.gz WXXVKJYALXATMQ-NSHDSACASA-N 0 1 323.353 0.123 20 5 DCBDMN COc1ccc(OCCN(C)[C@H]2COC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352792130 415320057 /nfs/dbraw/zinc/32/00/57/415320057.db2.gz KRNSERRIQRRCBP-STQMWFEESA-N 0 1 312.322 0.674 20 5 DCBDMN NS(=O)(=O)c1cccc(NCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000353277473 415497493 /nfs/dbraw/zinc/49/74/93/415497493.db2.gz OOQLFZMVVZMICV-UHFFFAOYSA-N 0 1 312.311 0.015 20 5 DCBDMN C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000281712366 415571423 /nfs/dbraw/zinc/57/14/23/415571423.db2.gz WRISORLSIIRZSX-WDEREUQCSA-N 0 1 323.349 0.828 20 5 DCBDMN C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000281712366 415571433 /nfs/dbraw/zinc/57/14/33/415571433.db2.gz WRISORLSIIRZSX-WDEREUQCSA-N 0 1 323.349 0.828 20 5 DCBDMN CC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H](C)[S@]1=O ZINC000287232554 415644373 /nfs/dbraw/zinc/64/43/73/415644373.db2.gz JDYMMLHVZYQPLP-UGWWXBRSSA-N 0 1 314.367 0.998 20 5 DCBDMN COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000336863588 415847198 /nfs/dbraw/zinc/84/71/98/415847198.db2.gz OZBHACUPNVRAMZ-MRVPVSSYSA-N 0 1 324.318 0.894 20 5 DCBDMN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1nnc[nH]1 ZINC000345226986 416064284 /nfs/dbraw/zinc/06/42/84/416064284.db2.gz WRGONLYJGOZUAD-QMMMGPOBSA-N 0 1 322.329 0.262 20 5 DCBDMN O=C(NCCn1cncn1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000337863886 416017238 /nfs/dbraw/zinc/01/72/38/416017238.db2.gz ZOLYYKHLRJUFEQ-UHFFFAOYSA-N 0 1 301.266 0.493 20 5 DCBDMN C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1nnc[nH]1 ZINC000176735393 416132693 /nfs/dbraw/zinc/13/26/93/416132693.db2.gz RCOANSMCNCPLNI-MRVPVSSYSA-N 0 1 318.293 0.320 20 5 DCBDMN CNC(=O)Cn1nc(Nc2ncc(C)cc2[N+](=O)[O-])cc1C ZINC000348123732 416232154 /nfs/dbraw/zinc/23/21/54/416232154.db2.gz KKEDPXORRSMIJY-UHFFFAOYSA-N 0 1 304.310 1.293 20 5 DCBDMN C[C@H]1CN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CCN1 ZINC000419036359 416396242 /nfs/dbraw/zinc/39/62/42/416396242.db2.gz GHZCFTKXIYMALX-NSHDSACASA-N 0 1 320.349 0.074 20 5 DCBDMN O=C(N[C@@H](CO)C1CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000360998227 416418319 /nfs/dbraw/zinc/41/83/19/416418319.db2.gz ZCCWXIKUNARJOP-ZDUSSCGKSA-N 0 1 310.306 0.818 20 5 DCBDMN COC(=O)C[C@H](N)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423285784 416485089 /nfs/dbraw/zinc/48/50/89/416485089.db2.gz YRHABSWAQLTIKQ-ONGXEEELSA-N 0 1 309.322 0.971 20 5 DCBDMN COCCOC1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000434035483 416455433 /nfs/dbraw/zinc/45/54/33/416455433.db2.gz IHMDCUPDFDNTFF-UHFFFAOYSA-N 0 1 312.326 0.929 20 5 DCBDMN Cc1[nH]nc(C(=O)N(CCO)C2CCSCC2)c1[N+](=O)[O-] ZINC000537722680 416561566 /nfs/dbraw/zinc/56/15/66/416561566.db2.gz KBXFKTSZKWORFO-UHFFFAOYSA-N 0 1 314.367 0.956 20 5 DCBDMN C[N@@H+](CC(=O)[O-])[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000435645021 416530937 /nfs/dbraw/zinc/53/09/37/416530937.db2.gz FHWVCQPTPDQYGV-UONOGXRCSA-N 0 1 323.349 0.199 20 5 DCBDMN O=C1CCOC[C@@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000599442248 416612857 /nfs/dbraw/zinc/61/28/57/416612857.db2.gz RNKJUMUQXWDERK-JTQLQIEISA-N 0 1 314.319 0.372 20 5 DCBDMN CC1(C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCN1CCO ZINC000614894891 416720477 /nfs/dbraw/zinc/72/04/77/416720477.db2.gz LOSQKBHLVQKYMI-UHFFFAOYSA-N 0 1 323.349 0.829 20 5 DCBDMN NC(=O)CC1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000443795681 416782762 /nfs/dbraw/zinc/78/27/62/416782762.db2.gz DMSQDROQJUZDPS-UHFFFAOYSA-N 0 1 317.305 0.999 20 5 DCBDMN [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000521252233 417000095 /nfs/dbraw/zinc/00/00/95/417000095.db2.gz DDIXRUJZBQODDI-GFCCVEGCSA-N 0 1 320.357 0.179 20 5 DCBDMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000568520741 417146830 /nfs/dbraw/zinc/14/68/30/417146830.db2.gz NPWXNUFFUHLAGO-NEPJUHHUSA-N 0 1 314.342 0.583 20 5 DCBDMN CNC(=O)Cn1nc(Nc2ncc([N+](=O)[O-])cc2F)cc1C ZINC000413225024 417230847 /nfs/dbraw/zinc/23/08/47/417230847.db2.gz ZCOWKFPNGWMZEZ-UHFFFAOYSA-N 0 1 308.273 1.123 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-][C@H]2C[NH2+]CC[C@@H]2C)c([N+](=O)[O-])n1 ZINC000440844401 287409737 /nfs/dbraw/zinc/40/97/37/287409737.db2.gz ISBPIWZHMXAMHC-IUCAKERBSA-N 0 1 317.371 0.088 20 5 DCBDMN CC(C)(C)c1nc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)n[nH]1 ZINC000458029248 417715386 /nfs/dbraw/zinc/71/53/86/417715386.db2.gz OWAYYEKOJRTPMN-UHFFFAOYSA-N 0 1 319.325 0.918 20 5 DCBDMN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356733953 261462488 /nfs/dbraw/zinc/46/24/88/261462488.db2.gz VETDBLKLNFAPLT-NEPJUHHUSA-N 0 1 307.306 0.945 20 5 DCBDMN Cc1c(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)cccc1[N+](=O)[O-] ZINC000363395146 262114059 /nfs/dbraw/zinc/11/40/59/262114059.db2.gz HRXUWQKQFGOTJC-NSHDSACASA-N 0 1 318.293 0.630 20 5 DCBDMN Cc1c(C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)cccc1[N+](=O)[O-] ZINC000363395145 262114200 /nfs/dbraw/zinc/11/42/00/262114200.db2.gz HRXUWQKQFGOTJC-LLVKDONJSA-N 0 1 318.293 0.630 20 5 DCBDMN O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000363687407 262127345 /nfs/dbraw/zinc/12/73/45/262127345.db2.gz AASPFSISWNKLFL-NWDGAFQWSA-N 0 1 321.333 0.893 20 5 DCBDMN O=C(N[C@@H]1CN(c2ccc(F)cc2)C1=O)c1n[nH]cc1[N+](=O)[O-] ZINC000363684403 262127506 /nfs/dbraw/zinc/12/75/06/262127506.db2.gz GEOPCXZNSOQCEV-SECBINFHSA-N 0 1 319.252 0.602 20 5 DCBDMN O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000363832979 262133218 /nfs/dbraw/zinc/13/32/18/262133218.db2.gz PIZMHOCWCUBQIW-VXGBXAGGSA-N 0 1 321.333 0.893 20 5 DCBDMN NC(=O)[C@H]1CCCN1CCCNc1ncc([N+](=O)[O-])cc1F ZINC000413139571 262202383 /nfs/dbraw/zinc/20/23/83/262202383.db2.gz QUVXAGWQLYLKDD-LLVKDONJSA-N 0 1 311.317 0.881 20 5 DCBDMN C[C@@H](NC(=O)C(=O)N1CCNC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000418774591 262288564 /nfs/dbraw/zinc/28/85/64/262288564.db2.gz DDCFASBLWZNQNT-WDEREUQCSA-N 0 1 320.349 0.592 20 5 DCBDMN C[C@H]1CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000418921408 262298350 /nfs/dbraw/zinc/29/83/50/262298350.db2.gz JFZLDNGZUZAMQB-NSHDSACASA-N 0 1 320.349 0.074 20 5 DCBDMN C[C@H](O)CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420977057 262387548 /nfs/dbraw/zinc/38/75/48/262387548.db2.gz UPISVILYBSSJHG-JTQLQIEISA-N 0 1 317.367 0.186 20 5 DCBDMN Cc1cc(C(=O)NCC(=O)N2CCNC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000422763685 271383349 /nfs/dbraw/zinc/38/33/49/271383349.db2.gz UJYYZJWUOCFTQG-NSHDSACASA-N 0 1 320.349 0.453 20 5 DCBDMN CN(C)C(=O)OC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000495792618 272273089 /nfs/dbraw/zinc/27/30/89/272273089.db2.gz IRDNDTMPPZTGAO-UHFFFAOYSA-N 0 1 311.342 0.954 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCN3C(=O)OCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000495803096 272273576 /nfs/dbraw/zinc/27/35/76/272273576.db2.gz WFTASZGLKCDPTC-MRVPVSSYSA-N 0 1 323.309 0.547 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000185839296 281362189 /nfs/dbraw/zinc/36/21/89/281362189.db2.gz SEALVOQRYGFTIQ-ZJUUUORDSA-N 0 1 321.337 0.764 20 5 DCBDMN COC[C@H](CO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000280360331 293112553 /nfs/dbraw/zinc/11/25/53/293112553.db2.gz XNZGWCQFIGCVIP-ZETCQYMHSA-N 0 1 308.287 0.020 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCCN(CC)C(=O)C2)c1[N+](=O)[O-] ZINC000190616780 523666634 /nfs/dbraw/zinc/66/66/34/523666634.db2.gz WHQADBBLKVLXSX-UHFFFAOYSA-N 0 1 309.326 0.575 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](CC(N)=O)C2)c1[N+](=O)[O-] ZINC000266920187 523667340 /nfs/dbraw/zinc/66/73/40/523667340.db2.gz HWQZRPOOOQQWCT-MRVPVSSYSA-N 0 1 309.326 0.608 20 5 DCBDMN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN[C@@H](C)C1 ZINC000237625370 525231644 /nfs/dbraw/zinc/23/16/44/525231644.db2.gz LPVBLKAVGYNBMD-QWRGUYRKSA-N 0 1 320.349 0.533 20 5 DCBDMN C[C@@H](O)CN1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000189390707 525795511 /nfs/dbraw/zinc/79/55/11/525795511.db2.gz ULXGHGVJBLWERQ-CYBMUJFWSA-N 0 1 309.366 0.972 20 5 DCBDMN CC(C)(C)[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000331329775 526737937 /nfs/dbraw/zinc/73/79/37/526737937.db2.gz QPQSHVFNZDHVML-CHWSQXEVSA-N 0 1 312.370 0.899 20 5 DCBDMN CC1(C)CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1 ZINC000415821329 529068698 /nfs/dbraw/zinc/06/86/98/529068698.db2.gz GOSQLWGALUPIDI-UHFFFAOYSA-N 0 1 306.322 0.744 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](OCCO)C2)c1[N+](=O)[O-] ZINC000275584479 535998960 /nfs/dbraw/zinc/99/89/60/535998960.db2.gz GAQQROROQGWASC-VIFPVBQESA-N 0 1 312.326 0.494 20 5 DCBDMN COC(=O)C[C@@H]1COCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000489301506 536324814 /nfs/dbraw/zinc/32/48/14/536324814.db2.gz DQPIMHMISKNAHT-LLVKDONJSA-N 0 1 324.289 0.705 20 5 DCBDMN O=C([O-])[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000821511072 597787932 /nfs/dbraw/zinc/78/79/32/597787932.db2.gz BOWBCOMQUVLBBD-WDEREUQCSA-N 0 1 310.306 0.741 20 5 DCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)OC[C@H]1CCC[N@H+]1CC(=O)[O-] ZINC000821297779 598063417 /nfs/dbraw/zinc/06/34/17/598063417.db2.gz IXKMFLCUOPCAJL-SECBINFHSA-N 0 1 311.294 0.639 20 5 DCBDMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000827380004 601087805 /nfs/dbraw/zinc/08/78/05/601087805.db2.gz OFDRQRBMXFMBDT-VIFPVBQESA-N 0 1 311.294 0.809 20 5 DCBDMN O=[N+]([O-])c1ccc2ncnc(-n3cnc(-c4nn[nH]n4)n3)c2c1 ZINC000826499514 609438497 /nfs/dbraw/zinc/43/84/97/609438497.db2.gz LRUSTDHFCAWVRB-UHFFFAOYSA-N 0 1 310.237 0.299 20 5 DCBDMN C[C@H]1CN(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])CC(C)(C)O1 ZINC000909394452 660567338 /nfs/dbraw/zinc/56/73/38/660567338.db2.gz HNCYMZDGCZAWDL-IVZWLZJFSA-N 0 1 300.311 0.221 20 5 DCBDMN O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccncc1 ZINC000978790618 660605539 /nfs/dbraw/zinc/60/55/39/660605539.db2.gz CTQZXWCRLZNDEC-GWNIPJSYSA-N 0 1 318.333 0.371 20 5 DCBDMN O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccns1 ZINC000978801069 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Cc1cc(N2CCN(C(=O)CN(C)C)CC2)ncc1[N+](=O)[O-] ZINC000074739527 396171285 /nfs/dbraw/zinc/17/12/85/396171285.db2.gz HQHWWGJCDISFAP-UHFFFAOYSA-N 0 1 307.354 0.508 20 5 DCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281866654 396245387 /nfs/dbraw/zinc/24/53/87/396245387.db2.gz ZBANBQJQUUBCSL-SKDRFNHKSA-N 0 1 321.289 0.871 20 5 DCBDMN CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CCNC1=O ZINC000282063024 396259640 /nfs/dbraw/zinc/25/96/40/396259640.db2.gz CXYTUOLOHNSHQF-NSHDSACASA-N 0 1 317.305 0.822 20 5 DCBDMN CCN(CCOCCO)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000282322339 396280751 /nfs/dbraw/zinc/28/07/51/396280751.db2.gz CSFOLJJBTNJMIR-UHFFFAOYSA-N 0 1 322.321 0.942 20 5 DCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](CCO)c2ccco2)c1 ZINC000185091115 396316612 /nfs/dbraw/zinc/31/66/12/396316612.db2.gz CIIGJVOKEJWKTC-VXGBXAGGSA-N 0 1 310.310 0.459 20 5 DCBDMN C[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1nnc[nH]1 ZINC000184785279 396305890 /nfs/dbraw/zinc/30/58/90/396305890.db2.gz QQZNZIDNJIBZJT-MRVPVSSYSA-N 0 1 311.323 0.894 20 5 DCBDMN Cc1n[nH]c(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000266208530 396350888 /nfs/dbraw/zinc/35/08/88/396350888.db2.gz JETRCWQHAHIHRW-DTWKUNHWSA-N 0 1 311.342 0.153 20 5 DCBDMN COC(=O)N1CC(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000269370300 396410501 /nfs/dbraw/zinc/41/05/01/396410501.db2.gz RVEIVXYUXROVAK-UHFFFAOYSA-N 0 1 319.277 0.652 20 5 DCBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCOCCO ZINC000269667502 396435038 /nfs/dbraw/zinc/43/50/38/396435038.db2.gz CRJLKZGMINZBAY-UHFFFAOYSA-N 0 1 308.287 0.021 20 5 DCBDMN O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000590360134 396762099 /nfs/dbraw/zinc/76/20/99/396762099.db2.gz ZEMSOIYBMSOTOS-SNVBAGLBSA-N 0 1 324.337 0.272 20 5 DCBDMN CCNC(=O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000313477842 396770907 /nfs/dbraw/zinc/77/09/07/396770907.db2.gz GSDZOHRTHMXDDJ-UHFFFAOYSA-N 0 1 305.287 0.148 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCOC[C@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000376206478 396893307 /nfs/dbraw/zinc/89/33/07/396893307.db2.gz YVMJGIQPWKZQAG-QWRGUYRKSA-N 0 1 324.337 0.900 20 5 DCBDMN CCn1nncc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600746415 396935113 /nfs/dbraw/zinc/93/51/13/396935113.db2.gz STIMHVWBHVFRAP-CYBMUJFWSA-N 0 1 321.337 0.736 20 5 DCBDMN C[C@@H](C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000574524699 397276205 /nfs/dbraw/zinc/27/62/05/397276205.db2.gz HFVNLLPLXUWFGT-WDEREUQCSA-N 0 1 312.322 0.987 20 5 DCBDMN CN(Cc1n[nH]c(=O)o1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000598745699 397288643 /nfs/dbraw/zinc/28/86/43/397288643.db2.gz OHIBTZGSEFZFIW-UHFFFAOYSA-N 0 1 308.250 0.721 20 5 DCBDMN C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000599271600 397385888 /nfs/dbraw/zinc/38/58/88/397385888.db2.gz HSKNJEJTGLAIJK-WPRPVWTQSA-N 0 1 318.355 0.564 20 5 DCBDMN CC(C)(C(=O)NC[C@@H]1COCCN1)c1ccc([N+](=O)[O-])cc1 ZINC000602552534 397437566 /nfs/dbraw/zinc/43/75/66/397437566.db2.gz ULDMXVMYSDTKIX-GFCCVEGCSA-N 0 1 307.350 0.977 20 5 DCBDMN O=[N+]([O-])c1ccc(CCS(=O)(=O)NCc2cnc[nH]2)cc1 ZINC000599356328 397417360 /nfs/dbraw/zinc/41/73/60/397417360.db2.gz MAVNFDLSFZLNSD-UHFFFAOYSA-N 0 1 310.335 0.980 20 5 DCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000602837485 397498135 /nfs/dbraw/zinc/49/81/35/397498135.db2.gz NXJFQLDXJKDDJK-GFCCVEGCSA-N 0 1 324.385 0.835 20 5 DCBDMN C[C@@H](NC(=O)NC[C@@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000599909755 397538476 /nfs/dbraw/zinc/53/84/76/397538476.db2.gz ZEJOVLRYBMJOOX-ZYHUDNBSSA-N 0 1 308.338 0.943 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000124252172 158239848 /nfs/dbraw/zinc/23/98/48/158239848.db2.gz HYXAUJBYRMZPOE-WDEREUQCSA-N 0 1 323.353 0.425 20 5 DCBDMN COC[C@@H](N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262369616 158805190 /nfs/dbraw/zinc/80/51/90/158805190.db2.gz WNCUZCXKLGNEBT-CQSZACIVSA-N 0 1 323.349 0.938 20 5 DCBDMN CC(C)(C(=O)N1CCc2[nH]nnc2C1)n1cc([N+](=O)[O-])cn1 ZINC000359747028 159264639 /nfs/dbraw/zinc/26/46/39/159264639.db2.gz WOJDWXDSTJACOI-UHFFFAOYSA-N 0 1 305.298 0.229 20 5 DCBDMN Cc1n[nH]c(CCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])n1 ZINC000267112325 287130391 /nfs/dbraw/zinc/13/03/91/287130391.db2.gz BZZVXXDOIVYBMC-UHFFFAOYSA-N 0 1 318.337 0.816 20 5 DCBDMN Cc1cccc(C(=O)NCCNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000343233177 415513660 /nfs/dbraw/zinc/51/36/60/415513660.db2.gz IVBGMCKCCQNBHE-UHFFFAOYSA-N 0 1 317.305 0.786 20 5 DCBDMN CC(C)(C)[C@H]1NC(=O)CC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343978501 415806245 /nfs/dbraw/zinc/80/62/45/415806245.db2.gz PUALFBVTQNNBTK-HQJQHLMTSA-N 0 1 309.326 0.741 20 5 DCBDMN O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000126519617 415876135 /nfs/dbraw/zinc/87/61/35/415876135.db2.gz ODDVVSJOWOPDRE-LURJTMIESA-N 0 1 307.232 0.684 20 5 DCBDMN COCC[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000129827911 415912773 /nfs/dbraw/zinc/91/27/73/415912773.db2.gz GCWVFLVMGLEJON-UHFFFAOYSA-N 0 1 311.338 0.999 20 5 DCBDMN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000344880337 416001638 /nfs/dbraw/zinc/00/16/38/416001638.db2.gz CVRJJNPEOBOQKN-SSDOTTSWSA-N 0 1 316.339 0.139 20 5 DCBDMN CC(=O)N1CC(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000173029626 416051166 /nfs/dbraw/zinc/05/11/66/416051166.db2.gz KDLIGAAMKACOJP-UHFFFAOYSA-N 0 1 303.278 0.432 20 5 DCBDMN CN(C)C(=O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000299412630 416061015 /nfs/dbraw/zinc/06/10/15/416061015.db2.gz PQBNRYVXKUEPDU-UHFFFAOYSA-N 0 1 305.287 0.100 20 5 DCBDMN CN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000298831899 416032387 /nfs/dbraw/zinc/03/23/87/416032387.db2.gz XTSYGNUAKROKME-UHFFFAOYSA-N 0 1 310.329 0.711 20 5 DCBDMN NC(=O)c1ccc(N2CCCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000171506891 416040242 /nfs/dbraw/zinc/04/02/42/416040242.db2.gz LWANKYCLSKXMDI-UHFFFAOYSA-N 0 1 308.338 0.198 20 5 DCBDMN CN(Cc1nnc[nH]1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000174821268 416088747 /nfs/dbraw/zinc/08/87/47/416088747.db2.gz WEENFKPRNJEGNN-LBPRGKRZSA-N 0 1 316.321 0.950 20 5 DCBDMN COc1cc(C(=O)NCCc2nc[nH]n2)cc([N+](=O)[O-])c1OC ZINC000345698294 416134528 /nfs/dbraw/zinc/13/45/28/416134528.db2.gz KFKAIOGFECSQHT-UHFFFAOYSA-N 0 1 321.293 0.703 20 5 DCBDMN Cc1c(NC(=O)C(=O)N2CCN[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000415447163 416343355 /nfs/dbraw/zinc/34/33/55/416343355.db2.gz WZVJSENBWQDUGE-SECBINFHSA-N 0 1 306.322 0.662 20 5 DCBDMN C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000415551514 416347398 /nfs/dbraw/zinc/34/73/98/416347398.db2.gz DQWKUSVLCBHWTI-RKDXNWHRSA-N 0 1 324.312 0.881 20 5 DCBDMN Cc1c(CNC(=O)C(=O)N2CCN[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000419757147 416409098 /nfs/dbraw/zinc/40/90/98/416409098.db2.gz IADBGKTYFGBEAY-JTQLQIEISA-N 0 1 320.349 0.340 20 5 DCBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCC[NH+]2CCOCC2)n1 ZINC000592963931 416545549 /nfs/dbraw/zinc/54/55/49/416545549.db2.gz BVVZFMPHTKEQLF-UHFFFAOYSA-N 0 1 324.337 1.131 20 5 DCBDMN NC(=O)CCCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000536806998 416550049 /nfs/dbraw/zinc/55/00/49/416550049.db2.gz QNUSQLXRDVIMDB-UHFFFAOYSA-N 0 1 305.294 0.857 20 5 DCBDMN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000541856282 416615286 /nfs/dbraw/zinc/61/52/86/416615286.db2.gz DDGMOJXYIHPFNM-MRVPVSSYSA-N 0 1 317.309 0.710 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-][C@@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])n1 ZINC000440844405 416651314 /nfs/dbraw/zinc/65/13/14/416651314.db2.gz ISBPIWZHMXAMHC-RKDXNWHRSA-N 0 1 317.371 0.088 20 5 DCBDMN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000569096932 417213515 /nfs/dbraw/zinc/21/35/15/417213515.db2.gz VPOPAPPKCLCEKU-ZJUUUORDSA-N 0 1 302.352 0.727 20 5 DCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCOC[C@@H]2C2CCC2)c1 ZINC000575800212 417550808 /nfs/dbraw/zinc/55/08/08/417550808.db2.gz HBOACBUOZRXJFH-UONOGXRCSA-N 0 1 310.354 0.653 20 5 DCBDMN O=C(NCc1nnnn1CC1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000354663650 261253309 /nfs/dbraw/zinc/25/33/09/261253309.db2.gz XXJVIDMLTAVLJR-UHFFFAOYSA-N 0 1 318.293 0.627 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCN([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000363712815 271202687 /nfs/dbraw/zinc/20/26/87/271202687.db2.gz VNSLMARFGUYTGO-SNVBAGLBSA-N 0 1 323.353 0.427 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CCN3C(=O)NC[C@H]3C2)c1[N+](=O)[O-] ZINC000269533011 276040873 /nfs/dbraw/zinc/04/08/73/276040873.db2.gz SPUQICHIBNIKDX-QMMMGPOBSA-N 0 1 322.325 0.291 20 5 DCBDMN O=C(NCc1noc(C(F)(F)F)n1)c1n[nH]cc1[N+](=O)[O-] ZINC000548068928 288109145 /nfs/dbraw/zinc/10/91/45/288109145.db2.gz VGWMPJSDOCENEV-UHFFFAOYSA-N 0 1 306.160 0.650 20 5 DCBDMN O=C([O-])c1cnc(NCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000387708443 333162666 /nfs/dbraw/zinc/16/26/66/333162666.db2.gz JIDMNDJSZQUJNJ-UHFFFAOYSA-N 0 1 310.310 0.822 20 5 DCBDMN COC[C@H](O)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000160796598 522780408 /nfs/dbraw/zinc/78/04/08/522780408.db2.gz YUBYFUMEQWPNBH-SECBINFHSA-N 0 1 308.294 0.598 20 5 DCBDMN O=C(Cc1cccc([N+](=O)[O-])c1)NCCN1CCCOCC1 ZINC000189459461 527271029 /nfs/dbraw/zinc/27/10/29/527271029.db2.gz ODTIRVONMFUPIL-UHFFFAOYSA-N 0 1 307.350 0.976 20 5 DCBDMN CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000330704558 529227895 /nfs/dbraw/zinc/22/78/95/529227895.db2.gz JZFNTAVXJFVWNC-LLVKDONJSA-N 0 1 323.349 0.829 20 5 DCBDMN O=[N+]([O-])c1ccn(-c2c3ccccc3nnc2-c2nn[nH]n2)n1 ZINC000738370719 598962178 /nfs/dbraw/zinc/96/21/78/598962178.db2.gz YFAHYXOKNMDVKW-UHFFFAOYSA-N 0 1 309.249 0.904 20 5 DCBDMN NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000831222934 603572362 /nfs/dbraw/zinc/57/23/62/603572362.db2.gz STFKSHJHWCMBEO-LLVKDONJSA-N 0 1 322.321 0.926 20 5 DCBDMN NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000831222934 603572364 /nfs/dbraw/zinc/57/23/64/603572364.db2.gz STFKSHJHWCMBEO-LLVKDONJSA-N 0 1 322.321 0.926 20 5 DCBDMN O=C([O-])N[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000834180376 605644744 /nfs/dbraw/zinc/64/47/44/605644744.db2.gz DWONUGUZWKHPMU-JTQLQIEISA-N 0 1 310.310 0.489 20 5 DCBDMN O=C([O-])N[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000834180376 605644747 /nfs/dbraw/zinc/64/47/47/605644747.db2.gz DWONUGUZWKHPMU-JTQLQIEISA-N 0 1 310.310 0.489 20 5 DCBDMN C[N@@H+]1CCC[C@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821625438 606702834 /nfs/dbraw/zinc/70/28/34/606702834.db2.gz NSJJIIJKSAQRAJ-QMMMGPOBSA-N 0 1 304.314 0.676 20 5 DCBDMN C[N@H+]1CCC[C@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821625438 606702836 /nfs/dbraw/zinc/70/28/36/606702836.db2.gz NSJJIIJKSAQRAJ-QMMMGPOBSA-N 0 1 304.314 0.676 20 5 DCBDMN C[N@@H+]1CCC[C@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821625438 606702839 /nfs/dbraw/zinc/70/28/39/606702839.db2.gz NSJJIIJKSAQRAJ-QMMMGPOBSA-N 0 1 304.314 0.676 20 5 DCBDMN C[N@H+]1CCC[C@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821625438 606702840 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CC(C)c1oncc1C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001687003453 1176264047 /nfs/dbraw/zinc/26/40/47/1176264047.db2.gz CTFLTMDIHVXYNW-MWLCHTKSSA-N 0 1 324.337 0.699 20 5 DCBDMN CC(C)(F)C(=O)N(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001688486880 1176507712 /nfs/dbraw/zinc/50/77/12/1176507712.db2.gz YFFXLPDQYXEHAO-NXEZZACHSA-N 0 1 301.318 0.507 20 5 DCBDMN O=C(Cc1ccco1)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001689325730 1176826438 /nfs/dbraw/zinc/82/64/38/1176826438.db2.gz BOPVAVYBFNALPC-JZIZGNRHSA-N 0 1 307.306 0.276 20 5 DCBDMN Cc1cc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)[nH]1 ZINC001689583030 1176964515 /nfs/dbraw/zinc/96/45/15/1176964515.db2.gz TVQZLYXPTXQWEU-VXGBXAGGSA-N 0 1 320.349 0.675 20 5 DCBDMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ncccc1F ZINC001703364106 1179502864 /nfs/dbraw/zinc/50/28/64/1179502864.db2.gz JPUCVBNLQMOVII-PSASIEDQSA-N 0 1 310.285 0.122 20 5 DCBDMN O=C(CC(F)(F)F)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001703928393 1179721131 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CCN(CCNC(=O)CCn1cccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001721166678 1183852578 /nfs/dbraw/zinc/85/25/78/1183852578.db2.gz XFXGDDBKFPVKLZ-CHWSQXEVSA-N 0 1 322.365 0.508 20 5 DCBDMN CCCN(CCNC(=O)c1ccoc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001721202666 1183863686 /nfs/dbraw/zinc/86/36/86/1183863686.db2.gz CVTUBQPRXAASIE-VXGBXAGGSA-N 0 1 309.322 0.913 20 5 DCBDMN O=C(CCC(F)(F)F)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001721824365 1184064444 /nfs/dbraw/zinc/06/44/44/1184064444.db2.gz TYUBJLLTUIZXNM-NPIHWTNLSA-N 0 1 323.271 0.783 20 5 DCBDMN O=C(NCC1(O)CN(CC=C(Cl)Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001724454840 1184447307 /nfs/dbraw/zinc/44/73/07/1184447307.db2.gz ZXVFOPLMEMTYTN-HTQZYQBOSA-N 0 1 324.164 0.134 20 5 DCBDMN CCOCCCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001737443516 1187334972 /nfs/dbraw/zinc/33/49/72/1187334972.db2.gz WEUWZIJTKOVOBI-DDHJBXDOSA-N 0 1 313.354 0.232 20 5 DCBDMN CN(CCNC(=O)CCc1ccncc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737749019 1187399359 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20 5 DCBDMN CCN(CCNCc1nn(CC)nc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001754045504 1188720687 /nfs/dbraw/zinc/72/06/87/1188720687.db2.gz RDRODRONALUTNO-DGCLKSJQSA-N 0 1 324.385 0.210 20 5 DCBDMN CC(C)N(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccon1 ZINC001756690818 1189436181 /nfs/dbraw/zinc/43/61/81/1189436181.db2.gz PXQPDECZSYVVFW-ZYHUDNBSSA-N 0 1 324.337 0.649 20 5 DCBDMN CC(C)(CC(F)F)C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001758172301 1189768321 /nfs/dbraw/zinc/76/83/21/1189768321.db2.gz YFVLHUBLUGGFQF-RKDXNWHRSA-N 0 1 321.324 0.956 20 5 DCBDMN O=C(CCC1CCCC1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001759174522 1190106561 /nfs/dbraw/zinc/10/65/61/1190106561.db2.gz FJSRVQJUZJSERC-CHWSQXEVSA-N 0 1 309.366 0.949 20 5 DCBDMN CCc1[nH]ccc1C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001759888471 1190331151 /nfs/dbraw/zinc/33/11/51/1190331151.db2.gz PLKNDSZOWIYMQA-ZYHUDNBSSA-N 0 1 320.349 0.621 20 5 DCBDMN Nc1cc(N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)ncc1[N+](=O)[O-] ZINC001164967999 722073204 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O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1cccnc1 ZINC001062407452 754725885 /nfs/dbraw/zinc/72/58/85/754725885.db2.gz DMDHMFPYYWTZAL-VXGBXAGGSA-N 0 1 318.333 0.516 20 5 DCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1ccon1 ZINC001062989474 755071870 /nfs/dbraw/zinc/07/18/70/755071870.db2.gz FOXBQLNDEXZMQQ-PSASIEDQSA-N 0 1 308.294 0.109 20 5 DCBDMN C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001123678813 768043311 /nfs/dbraw/zinc/04/33/11/768043311.db2.gz XGXXSZYSUDURSL-SKDRFNHKSA-N 0 1 306.322 0.627 20 5 DCBDMN CC(=O)N(C)CC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001123805802 768060234 /nfs/dbraw/zinc/06/02/34/768060234.db2.gz RSJLKVPOAGTYFR-UHFFFAOYSA-N 0 1 314.367 0.340 20 5 DCBDMN Cc1ccnc(N(C)CCNC(=O)Cc2cnc[nH]2)c1[N+](=O)[O-] ZINC001100354391 763513990 /nfs/dbraw/zinc/51/39/90/763513990.db2.gz ZZBDWMRIJOUJMG-UHFFFAOYSA-N 0 1 318.337 0.816 20 5 DCBDMN CN(CCNC(=O)Cc1cnc[nH]1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001100354146 763515134 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CCC1([N-]c2nc(Cl)nc(C(=O)OC)c2[N+](=O)[O-])C[NH2+]C1 ZINC001157779138 771670538 /nfs/dbraw/zinc/67/05/38/771670538.db2.gz GXLLIMFRKKGWCH-UHFFFAOYSA-N 0 1 315.717 0.989 20 5 DCBDMN Cc1nnc(CN)n1-c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001163351833 772513149 /nfs/dbraw/zinc/51/31/49/772513149.db2.gz XZOLSLNFTHHSMO-SNAWJCMRSA-N 0 1 303.326 0.870 20 5 DCBDMN COCCCN1CCN(c2ncc([N+](=O)[O-])c(OC)n2)CC1 ZINC001165094592 772694569 /nfs/dbraw/zinc/69/45/69/772694569.db2.gz PQDWUTUYCOKPOQ-UHFFFAOYSA-N 0 1 311.342 0.552 20 5 DCBDMN COc1cnc(N2CC(N(C)[C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001165205925 772705418 /nfs/dbraw/zinc/70/54/18/772705418.db2.gz YKLZQNBSFNHLOM-SNVBAGLBSA-N 0 1 308.338 0.908 20 5 DCBDMN Cc1cc([N+](=O)[O-])c(N2CCNC(=O)C23CNC3)nc1Cl ZINC001165297461 772719965 /nfs/dbraw/zinc/71/99/65/772719965.db2.gz DUMQGSKDTSLGJH-UHFFFAOYSA-N 0 1 311.729 0.230 20 5 DCBDMN COC[C@]1(CO)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001194408607 773187341 /nfs/dbraw/zinc/18/73/41/773187341.db2.gz 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20 5 DCBDMN O=C(CNC(=O)c1n[nH]cc1[N+](=O)[O-])Nc1cccc(F)c1 ZINC000127033595 415881902 /nfs/dbraw/zinc/88/19/02/415881902.db2.gz JRACGDLPEZETDJ-UHFFFAOYSA-N 0 1 307.241 0.826 20 5 DCBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000296444169 415928190 /nfs/dbraw/zinc/92/81/90/415928190.db2.gz NRTLWTMPAGCYBM-LLVKDONJSA-N 0 1 322.365 0.754 20 5 DCBDMN CS(=O)(=O)[C@@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000337408654 415957694 /nfs/dbraw/zinc/95/76/94/415957694.db2.gz OZVVLIJBMBCZMT-LLVKDONJSA-N 0 1 300.336 0.919 20 5 DCBDMN O=C(NCCN1C(=O)CCCC1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356616983 415962374 /nfs/dbraw/zinc/96/23/74/415962374.db2.gz HIVRRTLWVVMOPZ-UHFFFAOYSA-N 0 1 321.289 0.569 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](S(C)(=O)=O)C2)c1[N+](=O)[O-] ZINC000337502471 415970537 /nfs/dbraw/zinc/97/05/37/415970537.db2.gz DTKQBYIKFVDSMJ-ZETCQYMHSA-N 0 1 316.339 0.139 20 5 DCBDMN O=C(NC[C@@H]1CCCS1(=O)=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356785335 415986978 /nfs/dbraw/zinc/98/69/78/415986978.db2.gz UZJMXCFDQPUWNP-NSHDSACASA-N 0 1 314.319 0.607 20 5 DCBDMN O=C(Cc1ccn[nH]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173683932 416063721 /nfs/dbraw/zinc/06/37/21/416063721.db2.gz RWVGBAOBAMMVPV-LLVKDONJSA-N 0 1 316.321 0.968 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)c1[N+](=O)[O-] ZINC000345491167 416104093 /nfs/dbraw/zinc/10/40/93/416104093.db2.gz KZUSWCNLTKYACQ-CQSZACIVSA-N 0 1 321.337 0.623 20 5 DCBDMN COCC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181880715 416212053 /nfs/dbraw/zinc/21/20/53/416212053.db2.gz UYAWHCJHGAQATO-UHFFFAOYSA-N 0 1 311.338 0.999 20 5 DCBDMN Nc1ncncc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000339724112 416162503 /nfs/dbraw/zinc/16/25/03/416162503.db2.gz VFIDKPQMOTUXLK-UHFFFAOYSA-N 0 1 313.277 0.773 20 5 DCBDMN C[C@@H]1CCNC(=O)[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000193584814 416319230 /nfs/dbraw/zinc/31/92/30/416319230.db2.gz QUERWLXHDIPCDB-QMTHXVAHSA-N 0 1 320.349 0.672 20 5 DCBDMN O=C1N[C@H](Cc2cnc[nH]2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000359494242 416347906 /nfs/dbraw/zinc/34/79/06/416347906.db2.gz HALKROAMGAYZOK-LLVKDONJSA-N 0 1 301.262 0.985 20 5 DCBDMN CNc1nccc(C(=O)N2CCC3(CN(C)C3)C2)c1[N+](=O)[O-] ZINC000597569328 416595270 /nfs/dbraw/zinc/59/52/70/416595270.db2.gz VPGKZCFLYPGCPV-UHFFFAOYSA-N 0 1 305.338 0.809 20 5 DCBDMN CCN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000541734078 416613488 /nfs/dbraw/zinc/61/34/88/416613488.db2.gz HVKNGTBOOVHABP-UHFFFAOYSA-N 0 1 317.305 0.775 20 5 DCBDMN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)n1 ZINC000425311742 416695139 /nfs/dbraw/zinc/69/51/39/416695139.db2.gz YMLDFGANAJMQGF-ZETCQYMHSA-N 0 1 322.281 0.437 20 5 DCBDMN CNc1nccc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000551896272 416697011 /nfs/dbraw/zinc/69/70/11/416697011.db2.gz IMMJVHPXJAUOLK-CMPLNLGQSA-N 0 1 319.365 1.198 20 5 DCBDMN Cc1c(NC(=O)NCC(=O)N2CCNCC2)cccc1[N+](=O)[O-] ZINC000515517134 416702679 /nfs/dbraw/zinc/70/26/79/416702679.db2.gz JZVWFRUDGXMFNS-UHFFFAOYSA-N 0 1 321.337 0.457 20 5 DCBDMN CCc1n[nH]c(C(=O)NC2(c3nn[nH]n3)CCCC2)c1[N+](=O)[O-] ZINC000444248646 416821306 /nfs/dbraw/zinc/82/13/06/416821306.db2.gz PNSMKESQGWTQRG-UHFFFAOYSA-N 0 1 320.313 0.593 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCN3C(=O)OC[C@H]3C2)c1[N+](=O)[O-] ZINC000369766286 416827396 /nfs/dbraw/zinc/82/73/96/416827396.db2.gz KZKGJNFOWTXAFG-SSDOTTSWSA-N 0 1 309.282 0.157 20 5 DCBDMN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN[C@@H](C)C1 ZINC000429334277 416961542 /nfs/dbraw/zinc/96/15/42/416961542.db2.gz POFBCEZZHLOMLK-GXSJLCMTSA-N 0 1 324.385 0.648 20 5 DCBDMN O=C([O-])c1cc(N2CC[N@@H+]3CCOC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000565423481 416976232 /nfs/dbraw/zinc/97/62/32/416976232.db2.gz IDMUVEYKESFQPJ-LLVKDONJSA-N 0 1 307.306 0.814 20 5 DCBDMN O=C([O-])c1cc(N2CC[N@H+]3CCOC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000565423481 416976238 /nfs/dbraw/zinc/97/62/38/416976238.db2.gz IDMUVEYKESFQPJ-LLVKDONJSA-N 0 1 307.306 0.814 20 5 DCBDMN COc1ncccc1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525184347 417129216 /nfs/dbraw/zinc/12/92/16/417129216.db2.gz XHIABDSUKFNMSG-UHFFFAOYSA-N 0 1 324.318 0.872 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000408040962 417138127 /nfs/dbraw/zinc/13/81/27/417138127.db2.gz AVSSJJFKYYIGRW-SECBINFHSA-N 0 1 321.337 0.888 20 5 DCBDMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000568520743 417147299 /nfs/dbraw/zinc/14/72/99/417147299.db2.gz NPWXNUFFUHLAGO-RYUDHWBXSA-N 0 1 314.342 0.583 20 5 DCBDMN O=C1NCCC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000295866400 225327412 /nfs/dbraw/zinc/32/74/12/225327412.db2.gz YJGCCDAKAPNCKN-QMMMGPOBSA-N 0 1 317.298 0.291 20 5 DCBDMN CCN(CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(N)=O ZINC000411620301 417193592 /nfs/dbraw/zinc/19/35/92/417193592.db2.gz MDMGGKIQGQVDAI-UHFFFAOYSA-N 0 1 324.337 0.739 20 5 DCBDMN O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc([N+](=O)[O-])cc1[O-] ZINC000452370250 417476864 /nfs/dbraw/zinc/47/68/64/417476864.db2.gz SGSGBXDMPBRQHX-LBPRGKRZSA-N 0 1 323.349 0.877 20 5 DCBDMN O=C([O-])C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000576353046 417602861 /nfs/dbraw/zinc/60/28/61/417602861.db2.gz NZXUKGBVUVUSCY-LLVKDONJSA-N 0 1 310.306 0.884 20 5 DCBDMN COc1ccc(CC(=O)NC(C)(C)c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000531097383 417604163 /nfs/dbraw/zinc/60/41/63/417604163.db2.gz GOFKAINTYGFLOL-UHFFFAOYSA-N 0 1 320.309 0.711 20 5 DCBDMN CNc1nc(C(=O)NC2(c3nnc[nH]3)CCC2)ccc1[N+](=O)[O-] ZINC000456020115 417622901 /nfs/dbraw/zinc/62/29/01/417622901.db2.gz GGBJUOTXRHCDGH-UHFFFAOYSA-N 0 1 317.309 0.959 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2C[C@@H](C)O[C@H](CO)C2)c1[N+](=O)[O-] ZINC000187941568 261125142 /nfs/dbraw/zinc/12/51/42/261125142.db2.gz XIHOSJKXNZQVPT-BDAKNGLRSA-N 0 1 312.326 0.492 20 5 DCBDMN COC[C@H](C(N)=O)N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000354605810 261244092 /nfs/dbraw/zinc/24/40/92/261244092.db2.gz CUJYAKBISUQHNL-SSDOTTSWSA-N 0 1 313.314 0.014 20 5 DCBDMN CNC(=O)Cn1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC000356336233 261411454 /nfs/dbraw/zinc/41/14/54/261411454.db2.gz JITKGTYVZYONLN-UHFFFAOYSA-N 0 1 319.277 0.495 20 5 DCBDMN COc1ccc(C(=O)N2CCc3[nH]nnc3C2)cc1[N+](=O)[O-] ZINC000359741595 261764364 /nfs/dbraw/zinc/76/43/64/261764364.db2.gz FNKGCVCQXJAVRG-UHFFFAOYSA-N 0 1 303.278 0.920 20 5 DCBDMN COCCC[N@H+](C)CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000362375946 262027303 /nfs/dbraw/zinc/02/73/03/262027303.db2.gz NJXOCSUMCDCODT-UHFFFAOYSA-N 0 1 312.326 0.394 20 5 DCBDMN COCCC[N@@H+](C)CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000362375946 262027304 /nfs/dbraw/zinc/02/73/04/262027304.db2.gz NJXOCSUMCDCODT-UHFFFAOYSA-N 0 1 312.326 0.394 20 5 DCBDMN C[C@@H]1CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000418921407 262298122 /nfs/dbraw/zinc/29/81/22/262298122.db2.gz JFZLDNGZUZAMQB-LLVKDONJSA-N 0 1 320.349 0.074 20 5 DCBDMN C[C@@H](NC(=O)C(=O)N1CCN[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000419157762 262314849 /nfs/dbraw/zinc/31/48/49/262314849.db2.gz WPYSFYDKZCWLMG-GHMZBOCLSA-N 0 1 320.349 0.592 20 5 DCBDMN O=C(C[C@@H]1COCCN1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423727231 262457338 /nfs/dbraw/zinc/45/73/38/262457338.db2.gz QUPDKMHQINYLAO-MRVPVSSYSA-N 0 1 305.294 0.788 20 5 DCBDMN O=C(NCc1ncn(-c2ccccc2)n1)c1n[nH]cc1[N+](=O)[O-] ZINC000360923663 271166262 /nfs/dbraw/zinc/16/62/62/271166262.db2.gz BYJOVYOMPFUXAB-UHFFFAOYSA-N 0 1 313.277 0.829 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCC(CO)(OC)CC2)c1[N+](=O)[O-] ZINC000446988422 271772289 /nfs/dbraw/zinc/77/22/89/271772289.db2.gz GXJYAQIAQGXDLG-UHFFFAOYSA-N 0 1 312.326 0.494 20 5 DCBDMN O=[N+]([O-])c1ccc(O)cc1CN(CCO)CCOCCO ZINC000459795217 272009660 /nfs/dbraw/zinc/00/96/60/272009660.db2.gz QISIHDLZYGDQHX-UHFFFAOYSA-N 0 1 300.311 0.104 20 5 DCBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Cn2cnc([N+](=O)[O-])n2)n[nH]1 ZINC000490341009 272073860 /nfs/dbraw/zinc/07/38/60/272073860.db2.gz XYRRTCQRUBKSOH-JGVFFNPUSA-N 0 1 322.329 0.695 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)c1[N+](=O)[O-] ZINC000491158799 272089557 /nfs/dbraw/zinc/08/95/57/272089557.db2.gz CRWXKJUPYMRRDP-SFYZADRCSA-N 0 1 309.282 0.197 20 5 DCBDMN C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124591207 274218769 /nfs/dbraw/zinc/21/87/69/274218769.db2.gz RSNZIOJEOADCJE-NSHDSACASA-N 0 1 322.369 0.747 20 5 DCBDMN CNC(=O)N1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269336974 277234293 /nfs/dbraw/zinc/23/42/93/277234293.db2.gz BNCCOYPNBCXEPS-UHFFFAOYSA-N 0 1 324.341 0.539 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCO[C@@H](COC(C)C)C2)c1[N+](=O)[O-] ZINC000547786139 288079075 /nfs/dbraw/zinc/07/90/75/288079075.db2.gz CLNFOXARFYALCX-SNVBAGLBSA-N 0 1 312.326 0.892 20 5 DCBDMN Cc1nc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000298056132 293123003 /nfs/dbraw/zinc/12/30/03/293123003.db2.gz JMNROIIXCWKRLV-UHFFFAOYSA-N 0 1 303.326 0.739 20 5 DCBDMN COC(=O)c1cc(C(=O)N2CCN[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000189005786 521801945 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STATZEHXBJQNOR-SNVBAGLBSA-N 0 1 322.369 0.657 20 5 DCBDMN CCOC(=O)c1c(CN)ncn1-c1nccc(OC)c1[N+](=O)[O-] ZINC001162531667 772386848 /nfs/dbraw/zinc/38/68/48/772386848.db2.gz GPQFGEWZDAETRR-UHFFFAOYSA-N 0 1 321.293 0.820 20 5 DCBDMN O=C1NC(=O)[C@H](Nc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])S1 ZINC001163662596 772554812 /nfs/dbraw/zinc/55/48/12/772554812.db2.gz PPJUAQQODGRIHO-SSDOTTSWSA-N 0 1 304.671 0.603 20 5 DCBDMN CC(=O)CCCCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001190303756 772614307 /nfs/dbraw/zinc/61/43/07/772614307.db2.gz RMUXRXWADHAVQM-UHFFFAOYSA-N 0 1 318.355 0.756 20 5 DCBDMN COC(=O)[C@H]1CNCCN1c1nc(C)cc(OC)c1[N+](=O)[O-] ZINC001165440256 772737776 /nfs/dbraw/zinc/73/77/76/772737776.db2.gz YOONSEVTNJOJON-SECBINFHSA-N 0 1 310.310 0.258 20 5 DCBDMN CN1CCO[C@H](COc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228604917 776101811 /nfs/dbraw/zinc/10/18/11/776101811.db2.gz YIDYLBPQEZQDJE-VIFPVBQESA-N 0 1 310.310 0.677 20 5 DCBDMN CC(C)OCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001066965554 776566779 /nfs/dbraw/zinc/56/67/79/776566779.db2.gz OIPQGSUWHSHRLZ-VXGBXAGGSA-N 0 1 315.370 0.384 20 5 DCBDMN CCCOCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001066967373 776568107 /nfs/dbraw/zinc/56/81/07/776568107.db2.gz HJVLADPCNAVSRP-VXGBXAGGSA-N 0 1 315.370 0.385 20 5 DCBDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cncnc1 ZINC001067252803 776936757 /nfs/dbraw/zinc/93/67/57/776936757.db2.gz XKUQNACEHFSVMI-VXGBXAGGSA-N 0 1 321.337 0.062 20 5 DCBDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1ccco1 ZINC001067388424 777767623 /nfs/dbraw/zinc/76/76/23/777767623.db2.gz DSPGNIYKKALLIH-CHWSQXEVSA-N 0 1 323.349 0.794 20 5 DCBDMN CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)Cc1ccoc1 ZINC001481223812 939653048 /nfs/dbraw/zinc/65/30/48/939653048.db2.gz UZVQAHVFRVOILQ-UHFFFAOYSA-N 0 1 321.337 0.712 20 5 DCBDMN O=C(NC1CN(CCOCC(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001481557437 939936570 /nfs/dbraw/zinc/93/65/70/939936570.db2.gz PMDQZRXKZVLLGV-RKDXNWHRSA-N 0 1 311.260 0.031 20 5 DCBDMN COc1ncccc1CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001483733331 942777429 /nfs/dbraw/zinc/77/74/29/942777429.db2.gz YGOYJGNRFOBSDF-VXGBXAGGSA-N 0 1 320.349 0.494 20 5 DCBDMN O=C(Cc1ncn[nH]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001055899351 943122590 /nfs/dbraw/zinc/12/25/90/943122590.db2.gz FMRIAGBDNLTVCZ-UHFFFAOYSA-N 0 1 316.321 0.604 20 5 DCBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccnc1C1CC1 ZINC001491284774 943888624 /nfs/dbraw/zinc/88/86/24/943888624.db2.gz ZEAMBSDJTISCLL-VXGBXAGGSA-N 0 1 318.333 0.470 20 5 DCBDMN NC(=O)CC(=O)N[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001317072075 944776418 /nfs/dbraw/zinc/77/64/18/944776418.db2.gz CGOPZRVOUWKCIO-KYZUINATSA-N 0 1 312.351 0.269 20 5 DCBDMN Cc1[nH]nc(C(=O)N(C)Cc2ccc(C(N)=O)cc2)c1[N+](=O)[O-] ZINC001251427555 945754419 /nfs/dbraw/zinc/75/44/19/945754419.db2.gz QBENCQWRAFDDBT-UHFFFAOYSA-N 0 1 317.305 0.997 20 5 DCBDMN NC(=O)[C@@H](N)Cc1cn([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254600244 946414620 /nfs/dbraw/zinc/41/46/20/946414620.db2.gz RDDHVBFGZJQWLF-KGLIPLIRSA-N 0 1 315.333 0.486 20 5 DCBDMN CN1CCN(C2CN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC001324331972 947393001 /nfs/dbraw/zinc/39/30/01/947393001.db2.gz LMTOMCUGGLCXEE-UHFFFAOYSA-N 0 1 305.338 0.062 20 5 DCBDMN O=C(NC1CCN(c2cccnn2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC001324603979 947472507 /nfs/dbraw/zinc/47/25/07/947472507.db2.gz HNLLXPMCCUOPIA-UHFFFAOYSA-N 0 1 317.309 0.507 20 5 DCBDMN CCn1ccc(CN(C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001273507973 947933003 /nfs/dbraw/zinc/93/30/03/947933003.db2.gz QVAVITDSZNLNFS-ZIAGYGMSSA-N 0 1 323.397 0.849 20 5 DCBDMN CO[C@]1(C(=O)[O-])CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001329208333 949434784 /nfs/dbraw/zinc/43/47/84/949434784.db2.gz QDNBWWLZSBPQIW-TZMCWYRMSA-N 0 1 310.306 0.804 20 5 DCBDMN CN1CCN(C2CN(C(=O)c3cc([N+](=O)[O-])ccc3F)C2)CC1 ZINC001333282392 951988309 /nfs/dbraw/zinc/98/83/09/951988309.db2.gz RLYGGDPUTFTMBE-UHFFFAOYSA-N 0 1 322.340 0.806 20 5 DCBDMN O=C([O-])[C@]12C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]1COCC2 ZINC001346269951 953839686 /nfs/dbraw/zinc/83/96/86/953839686.db2.gz SZVSNAKMYYQYTP-GXFFZTMASA-N 0 1 310.310 0.214 20 5 DCBDMN C[C@H]1CN2CCN1C[C@@H]2C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001346296513 953848665 /nfs/dbraw/zinc/84/86/65/953848665.db2.gz NDMSUSNWIXKDMM-SMDDNHRTSA-N 0 1 304.350 0.599 20 5 DCBDMN CC(C)N(CCN(C)Cc1ccnn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284533952 955162742 /nfs/dbraw/zinc/16/27/42/955162742.db2.gz SYRPHVCKWAFPSJ-ZIAGYGMSSA-N 0 1 323.397 0.754 20 5 DCBDMN NC(=O)N1CC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC001351140019 955251757 /nfs/dbraw/zinc/25/17/57/955251757.db2.gz JWROFEFZKRIITF-MRVPVSSYSA-N 0 1 308.294 0.431 20 5 DCBDMN CCN(CCCNC(=O)c1ncoc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001352068367 955504784 /nfs/dbraw/zinc/50/47/84/955504784.db2.gz CSUFKUPSYLISRE-GHMZBOCLSA-N 0 1 324.337 0.617 20 5 DCBDMN Cc1noc(C)c1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001285911985 956060511 /nfs/dbraw/zinc/06/05/11/956060511.db2.gz RLVUBEUCUHRGLP-NXEZZACHSA-N 0 1 322.321 0.335 20 5 DCBDMN CCc1c(C(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])ccn1C ZINC001355915164 956744779 /nfs/dbraw/zinc/74/47/79/956744779.db2.gz JOWCJQKWAJIFFL-DGCLKSJQSA-N 0 1 322.365 0.441 20 5 DCBDMN Cc1ccn(C)c1C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001357765841 957376615 /nfs/dbraw/zinc/37/66/15/957376615.db2.gz XRJOCOSQNGFSON-BLDJZWNYSA-N 0 1 320.349 0.401 20 5 DCBDMN CC1(C)CC(C(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001357780347 957380072 /nfs/dbraw/zinc/38/00/72/957380072.db2.gz LXOZRGJYMQPOBA-BLDJZWNYSA-N 0 1 309.366 0.876 20 5 DCBDMN O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCNC[C@@H]1CO ZINC001358040374 957418925 /nfs/dbraw/zinc/41/89/25/957418925.db2.gz YPGYGTZWISCLCG-HZSPNIEDSA-N 0 1 305.334 0.491 20 5 DCBDMN Cc1cc[nH]c1C(=O)N(C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001294065359 957475938 /nfs/dbraw/zinc/47/59/38/957475938.db2.gz CUZQRTUYMPLFJY-GHMZBOCLSA-N 0 1 308.338 0.567 20 5 DCBDMN CC1(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCCC1 ZINC001358661296 957552229 /nfs/dbraw/zinc/55/22/29/957552229.db2.gz LFRGPDAMUAOWMG-GHMZBOCLSA-N 0 1 309.366 0.997 20 5 DCBDMN CC(=O)CCCC(=O)N(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001298033876 958389970 /nfs/dbraw/zinc/38/99/70/958389970.db2.gz MGOIMASSYIAYTL-VXGBXAGGSA-N 0 1 313.354 0.328 20 5 DCBDMN CN(Cc1nnc[nH]1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001311890575 960263696 /nfs/dbraw/zinc/26/36/96/960263696.db2.gz WSZCPONLVYTEGG-UHFFFAOYSA-N 0 1 320.309 0.933 20 5 DCBDMN COC[C@]1(C(=O)[O-])C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001604559028 973613555 /nfs/dbraw/zinc/61/35/55/973613555.db2.gz UDHMQTWQTGGPCT-HNNXBMFYSA-N 0 1 324.333 0.939 20 5 DCBDMN COC[C@]1(C(=O)[O-])C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001604559028 973613562 /nfs/dbraw/zinc/61/35/62/973613562.db2.gz UDHMQTWQTGGPCT-HNNXBMFYSA-N 0 1 324.333 0.939 20 5 DCBDMN Cc1cc(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)[nH]1 ZINC001528110701 1014208446 /nfs/dbraw/zinc/20/84/46/1014208446.db2.gz KJFOOYCMTWYDPP-VXGBXAGGSA-N 0 1 308.338 0.485 20 5 DCBDMN CCn1cccc1C(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001528178272 1014221634 /nfs/dbraw/zinc/22/16/34/1014221634.db2.gz GIVYGIAGXFBGGT-ZYHUDNBSSA-N 0 1 308.338 0.361 20 5 DCBDMN CCCc1onc(C)c1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001522626195 1014257367 /nfs/dbraw/zinc/25/73/67/1014257367.db2.gz GWJBUVISIVNBSQ-NXEZZACHSA-N 0 1 324.337 0.447 20 5 DCBDMN CCN(CCCNC(=O)c1ccc[nH]1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001523837180 1014776033 /nfs/dbraw/zinc/77/60/33/1014776033.db2.gz JJGLRCBKGFVYMG-ZYHUDNBSSA-N 0 1 308.338 0.648 20 5 DCBDMN C[C@@H]1C[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])[C@@H](C)O1 ZINC001464261769 1015896014 /nfs/dbraw/zinc/89/60/14/1015896014.db2.gz QOOHZSGXEKJKHM-IWSPIJDZSA-N 0 1 301.324 0.834 20 5 DCBDMN O=C(NCCn1cc([N+](=O)[O-])cn1)c1cncc2nc[nH]c21 ZINC001465879048 1016030260 /nfs/dbraw/zinc/03/02/60/1016030260.db2.gz JASFTDCMDNRBCA-UHFFFAOYSA-N 0 1 301.266 0.493 20 5 DCBDMN Cn1ccnc1[C@H](O)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001466252152 1016061647 /nfs/dbraw/zinc/06/16/47/1016061647.db2.gz FYCCGYXGALYFES-IJLUTSLNSA-N 0 1 308.338 0.357 20 5 DCBDMN CC(C)N(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ncc[nH]1 ZINC001511704861 1016423907 /nfs/dbraw/zinc/42/39/07/1016423907.db2.gz CZKRALLIDJOMEG-GHMZBOCLSA-N 0 1 323.353 0.384 20 5 DCBDMN Cc1c(CC(=O)N[C@H](CO)Cc2cnc[nH]2)cccc1[N+](=O)[O-] ZINC001471333770 1016558670 /nfs/dbraw/zinc/55/86/70/1016558670.db2.gz KZOGXHOHBHHTTC-ZDUSSCGKSA-N 0 1 318.333 0.889 20 5 DCBDMN CCc1nocc1CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001472955705 1016888187 /nfs/dbraw/zinc/88/81/87/1016888187.db2.gz IHEOESVKQIIRJU-DGCLKSJQSA-N 0 1 308.338 0.546 20 5 DCBDMN COC[C@@H]1CNCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001514598077 1016987310 /nfs/dbraw/zinc/98/73/10/1016987310.db2.gz WBUVNSPWJQVWLG-NSHDSACASA-N 0 1 308.338 0.454 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCN[C@@H](c3cn[nH]c3)C2)c1[N+](=O)[O-] ZINC001454518976 1009169133 /nfs/dbraw/zinc/16/91/33/1009169133.db2.gz GDZQYSGCVLZUEA-SNVBAGLBSA-N 0 1 319.325 0.390 20 5 DCBDMN CN(Cc1cnc[nH]1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC001559235264 1012411206 /nfs/dbraw/zinc/41/12/06/1012411206.db2.gz YGUUOXMVWZFZBI-UHFFFAOYSA-N 0 1 311.323 0.602 20 5 DCBDMN Cc1nc(CNC(=O)NCCNc2ccccc2[N+](=O)[O-])n[nH]1 ZINC001565440072 1012548630 /nfs/dbraw/zinc/54/86/30/1012548630.db2.gz GWMPJDJTOGEWPK-UHFFFAOYSA-N 0 1 319.325 0.933 20 5 DCBDMN CN(C(=O)/C=C\c1ccco1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001506253718 1017139583 /nfs/dbraw/zinc/13/95/83/1017139583.db2.gz GTWVCUCLVIAUIK-DIABFLQPSA-N 0 1 319.317 0.627 20 5 DCBDMN CCCN(CCNC(=O)c1cncnc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001497242126 1017990970 /nfs/dbraw/zinc/99/09/70/1017990970.db2.gz JDRYRJWFJVGAOE-VXGBXAGGSA-N 0 1 321.337 0.110 20 5 DCBDMN CCN(CCNC(=O)c1nocc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001496989878 1019890983 /nfs/dbraw/zinc/89/09/83/1019890983.db2.gz OKDBLXQMZRTTFH-NXEZZACHSA-N 0 1 310.310 0.227 20 5 DCBDMN Cc1nc2n(n1)CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 ZINC000272705275 210109354 /nfs/dbraw/zinc/10/93/54/210109354.db2.gz VVZXCBOFAKMCNW-UHFFFAOYSA-N 0 1 303.278 0.856 20 5 DCBDMN [NH3+]C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000567166182 291340674 /nfs/dbraw/zinc/34/06/74/291340674.db2.gz RADROAYUOCTQCJ-UWVGGRQHSA-N 0 1 314.367 0.786 20 5 DCBDMN NC(=O)c1[nH]nnc1NC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000493800523 241160539 /nfs/dbraw/zinc/16/05/39/241160539.db2.gz BBWAXSZRVYIFMV-AATRIKPKSA-N 0 1 302.250 0.464 20 5 DCBDMN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000282333684 284261520 /nfs/dbraw/zinc/26/15/20/284261520.db2.gz XALDKGLHMSTDOP-MRVPVSSYSA-N 0 1 309.326 0.792 20 5 DCBDMN C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@@H]1C ZINC000184820194 296185335 /nfs/dbraw/zinc/18/53/35/296185335.db2.gz NSUJYFMDLKPGMP-WDEREUQCSA-N 0 1 323.349 0.828 20 5 DCBDMN C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@@H]1C ZINC000184820194 296185337 /nfs/dbraw/zinc/18/53/37/296185337.db2.gz NSUJYFMDLKPGMP-WDEREUQCSA-N 0 1 323.349 0.828 20 5 DCBDMN O=C(NC[C@@H](CO)Cc1cccnc1)c1n[nH]cc1[N+](=O)[O-] ZINC000346887859 254108935 /nfs/dbraw/zinc/10/89/35/254108935.db2.gz OYJMIUWTPPIOTN-JTQLQIEISA-N 0 1 305.294 0.294 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CCN(C(=O)NC)CC2)c1[N+](=O)[O-] ZINC000347899970 254200486 /nfs/dbraw/zinc/20/04/86/254200486.db2.gz NTOITRRTQSGBDC-UHFFFAOYSA-N 0 1 324.341 0.368 20 5 DCBDMN Cc1[nH]nc(C(=O)N(CC(N)=O)Cc2ccccc2)c1[N+](=O)[O-] ZINC000352036391 254391956 /nfs/dbraw/zinc/39/19/56/254391956.db2.gz ZCNSWGFSNYTTRQ-UHFFFAOYSA-N 0 1 317.305 0.754 20 5 DCBDMN O=C1CCCN1[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000270571920 395785400 /nfs/dbraw/zinc/78/54/00/395785400.db2.gz OANLPZMTZZOEFM-GFCCVEGCSA-N 0 1 320.349 0.453 20 5 DCBDMN CC(C)c1nc([C@@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000270583706 395786809 /nfs/dbraw/zinc/78/68/09/395786809.db2.gz AOLRNZIFOWOMCW-MRVPVSSYSA-N 0 1 307.314 0.910 20 5 DCBDMN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000270761926 395805308 /nfs/dbraw/zinc/80/53/08/395805308.db2.gz YEHHWLHHMOYPCN-BDAKNGLRSA-N 0 1 309.326 0.695 20 5 DCBDMN COC[C@H](O)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000270891522 395819901 /nfs/dbraw/zinc/81/99/01/395819901.db2.gz YDZFXRLQWKIHLO-MRVPVSSYSA-N 0 1 322.314 0.410 20 5 DCBDMN NC(=O)N[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000270677968 395796032 /nfs/dbraw/zinc/79/60/32/395796032.db2.gz MHTNRJHRYIFIQV-ZYHUDNBSSA-N 0 1 324.337 0.077 20 5 DCBDMN COc1cc(CCNC(=O)c2cnn[nH]2)c([N+](=O)[O-])cc1OC ZINC000047610858 395797039 /nfs/dbraw/zinc/79/70/39/395797039.db2.gz XEAXZSRBCMYZGT-UHFFFAOYSA-N 0 1 321.293 0.703 20 5 DCBDMN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCN(C)C1=O ZINC000273334664 395914188 /nfs/dbraw/zinc/91/41/88/395914188.db2.gz MOVWVNADNNXNIF-AAEUAGOBSA-N 0 1 323.349 0.497 20 5 DCBDMN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C)C1=O ZINC000273334668 395914206 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DCBDMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000609311752 397769799 /nfs/dbraw/zinc/76/97/99/397769799.db2.gz VIGISRNRQPSTOU-NSHDSACASA-N 0 1 309.370 0.299 20 5 DCBDMN [NH3+][C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000126851973 158268425 /nfs/dbraw/zinc/26/84/25/158268425.db2.gz OLEADKLECMEMQI-VIFPVBQESA-N 0 1 303.315 0.750 20 5 DCBDMN C[C@@H](CN1CCN(C)CC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357265226 287204508 /nfs/dbraw/zinc/20/45/08/287204508.db2.gz SQLMEYHQMQRCOT-JTQLQIEISA-N 0 1 322.369 0.137 20 5 DCBDMN C[C@H](CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1)c1nn[nH]n1 ZINC000352464583 415184480 /nfs/dbraw/zinc/18/44/80/415184480.db2.gz BCOFAAPPQNJLKS-SECBINFHSA-N 0 1 304.310 0.913 20 5 DCBDMN CC[C@H](O)CN1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272598489 415289089 /nfs/dbraw/zinc/28/90/89/415289089.db2.gz XCMPBGOMHXGFFR-ZDUSSCGKSA-N 0 1 323.349 0.829 20 5 DCBDMN CCCc1[nH]nc(C(=O)N(C)CC(=O)NC(C)C)c1[N+](=O)[O-] ZINC000068611587 415396068 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CCCc1[nH]nc(C(=O)N2CC[C@H](NC(=O)NC)C2)c1[N+](=O)[O-] ZINC000344972152 416017688 /nfs/dbraw/zinc/01/76/88/416017688.db2.gz SEDPARZDOUZZQU-QMMMGPOBSA-N 0 1 324.341 0.414 20 5 DCBDMN CC(C)c1n[nH]c(C(=O)NC2(c3nn[nH]n3)CC2)c1[N+](=O)[O-] ZINC000357076630 416031160 /nfs/dbraw/zinc/03/11/60/416031160.db2.gz VVZLMWOLNZZTQD-UHFFFAOYSA-N 0 1 306.286 0.374 20 5 DCBDMN COc1cc(C(=O)NCc2nnc[nH]2)cc([N+](=O)[O-])c1OC ZINC000357168418 416039375 /nfs/dbraw/zinc/03/93/75/416039375.db2.gz GBZSOCMGEKPICX-UHFFFAOYSA-N 0 1 307.266 0.660 20 5 DCBDMN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCc1nc(=O)[nH][nH]1 ZINC000301515262 416085589 /nfs/dbraw/zinc/08/55/89/416085589.db2.gz CPGRWMJWJSCYTL-UHFFFAOYSA-N 0 1 320.309 0.411 20 5 DCBDMN CC1=CCN(CCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000358058365 416180669 /nfs/dbraw/zinc/18/06/69/416180669.db2.gz COXWLRLPYZRKSJ-UHFFFAOYSA-N 0 1 305.338 0.954 20 5 DCBDMN CN1CC[N@@H+](C)C[C@@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347410289 416217747 /nfs/dbraw/zinc/21/77/47/416217747.db2.gz FZHFHDIXQVUREI-NSHDSACASA-N 0 1 316.365 1.196 20 5 DCBDMN COCC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)OC ZINC000359803369 416359748 /nfs/dbraw/zinc/35/97/48/416359748.db2.gz VPSHZTILLIEWLQ-NSHDSACASA-N 0 1 312.278 0.608 20 5 DCBDMN Cc1c(CNC(=O)C(=O)N2CCN[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000419757149 416409095 /nfs/dbraw/zinc/40/90/95/416409095.db2.gz IADBGKTYFGBEAY-SNVBAGLBSA-N 0 1 320.349 0.340 20 5 DCBDMN CNc1nccc(C(=O)NC2(c3nnc[nH]3)CCC2)c1[N+](=O)[O-] ZINC000594342888 416560490 /nfs/dbraw/zinc/56/04/90/416560490.db2.gz MRFWYKILLGQKAI-UHFFFAOYSA-N 0 1 317.309 0.959 20 5 DCBDMN C[C@](N)(C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000423911514 416588378 /nfs/dbraw/zinc/58/83/78/416588378.db2.gz VOEXRMYSEVORRX-CQSZACIVSA-N 0 1 303.322 0.782 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](n3ccnn3)C2)c1[N+](=O)[O-] ZINC000424998290 416676226 /nfs/dbraw/zinc/67/62/26/416676226.db2.gz DNEANAOSRIAISM-VIFPVBQESA-N 0 1 319.325 0.949 20 5 DCBDMN CC[N@@H+](CCNC(=O)c1ccnc(NC)c1[N+](=O)[O-])C1CC1 ZINC000557590970 416737897 /nfs/dbraw/zinc/73/78/97/416737897.db2.gz QXQUKVRKFDULFM-UHFFFAOYSA-N 0 1 307.354 1.246 20 5 DCBDMN COC1(CO)CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000446986831 416958149 /nfs/dbraw/zinc/95/81/49/416958149.db2.gz LNVSITXKHQHLTE-UHFFFAOYSA-N 0 1 310.306 0.914 20 5 DCBDMN NC(=O)c1ccc(CN[C@H](CO)[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000447910055 417039138 /nfs/dbraw/zinc/03/91/38/417039138.db2.gz CLWBSWCWRXRQMA-YPMHNXCESA-N 0 1 309.322 0.323 20 5 DCBDMN Cc1ccccc1[C@H](N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000295787841 225236810 /nfs/dbraw/zinc/23/68/10/225236810.db2.gz RXIXSHWZHJFCQM-ZDUSSCGKSA-N 0 1 303.322 0.916 20 5 DCBDMN [NH3+][C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000569119851 417216381 /nfs/dbraw/zinc/21/63/81/417216381.db2.gz OXMHSVBPUGTBHV-ZJUUUORDSA-N 0 1 314.367 0.786 20 5 DCBDMN CC[C@@H](O)CN1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439173519 287382663 /nfs/dbraw/zinc/38/26/63/287382663.db2.gz YIKBUQHLKPCEKI-LLVKDONJSA-N 0 1 322.365 0.587 20 5 DCBDMN CCc1nc([C@@H](C)NC(=O)c2ccnc(N)c2[N+](=O)[O-])n[nH]1 ZINC000580345038 417699566 /nfs/dbraw/zinc/69/95/66/417699566.db2.gz UZGJKDPQNXCSEI-ZCFIWIBFSA-N 0 1 305.298 0.744 20 5 DCBDMN CC[C@@H]1CN(CC)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000456357940 417644107 /nfs/dbraw/zinc/64/41/07/417644107.db2.gz SPBQCAJDQURBCK-GFCCVEGCSA-N 0 1 322.365 0.699 20 5 DCBDMN O=C(CNC(CO)CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000580446794 417704189 /nfs/dbraw/zinc/70/41/89/417704189.db2.gz XALRSHSVEUSMLA-UHFFFAOYSA-N 0 1 303.702 0.130 20 5 DCBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NCCN1CCN(C)CC1 ZINC000298159930 228389208 /nfs/dbraw/zinc/38/92/08/228389208.db2.gz MMYSHCDIDNNVOZ-UHFFFAOYSA-N 0 1 306.366 0.880 20 5 DCBDMN O=C(N[C@@H]1CCC(=O)NC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000299563871 229213890 /nfs/dbraw/zinc/21/38/90/229213890.db2.gz FNWWKMPLSTVPEU-SSDOTTSWSA-N 0 1 303.278 0.480 20 5 DCBDMN CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356733954 261462907 /nfs/dbraw/zinc/46/29/07/261462907.db2.gz VETDBLKLNFAPLT-NWDGAFQWSA-N 0 1 307.306 0.945 20 5 DCBDMN NC(=O)c1[nH]nnc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000362402167 262029710 /nfs/dbraw/zinc/02/97/10/262029710.db2.gz LIRYZMDJABLBBL-UHFFFAOYSA-N 0 1 319.281 0.253 20 5 DCBDMN C[C@H]1CC(=O)NCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000371049810 262156334 /nfs/dbraw/zinc/15/63/34/262156334.db2.gz RLAPGTSQKAISQY-QMMMGPOBSA-N 0 1 317.305 0.822 20 5 DCBDMN COC(=O)[C@H]1CN(C)CCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000413497318 262214212 /nfs/dbraw/zinc/21/42/12/262214212.db2.gz LKGFJKZLINEQPN-NSHDSACASA-N 0 1 308.338 0.839 20 5 DCBDMN Cn1c(C(=O)N2CCN(C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000488797322 272050456 /nfs/dbraw/zinc/05/04/56/272050456.db2.gz OBVVEXVBZQMMDV-GFCCVEGCSA-N 0 1 322.365 0.728 20 5 DCBDMN O=C(C=Cc1cccc([N+](=O)[O-])c1)NC1(c2nn[nH]n2)CC1 ZINC000493198821 272174497 /nfs/dbraw/zinc/17/44/97/272174497.db2.gz ZXXHIZFYHHKXRI-PLNGDYQASA-N 0 1 300.278 0.927 20 5 DCBDMN CCOC(=O)N[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(C)C ZINC000496691940 272335793 /nfs/dbraw/zinc/33/57/93/272335793.db2.gz PRLVPEHLPJUVJL-GMTAPVOTSA-N 0 1 301.343 0.929 20 5 DCBDMN CCOC(=O)c1cn(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC000516684149 272442746 /nfs/dbraw/zinc/44/27/46/272442746.db2.gz WGXKDXXVRGDNFG-UHFFFAOYSA-N 0 1 322.281 0.121 20 5 DCBDMN CN1C(=O)N[C@@H]2CN(Cc3cc(O)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000332590952 277017280 /nfs/dbraw/zinc/01/72/80/277017280.db2.gz FCGFBTSDOFERDD-YPMHNXCESA-N 0 1 306.322 0.898 20 5 DCBDMN CCN1CCC[C@@H]1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000548621769 288160421 /nfs/dbraw/zinc/16/04/21/288160421.db2.gz BHAOZHBGISJDMB-SNVBAGLBSA-N 0 1 314.367 0.752 20 5 DCBDMN CC(C)[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(N)=O ZINC000107311151 279909078 /nfs/dbraw/zinc/90/90/78/279909078.db2.gz FMLXQPHLFVFILD-SECBINFHSA-N 0 1 319.314 0.522 20 5 DCBDMN C[C@@H]1C[C@H](C)C[N@H+](CCn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C1 ZINC000582252543 336394832 /nfs/dbraw/zinc/39/48/32/336394832.db2.gz KIYCYNKNLUBORE-PHIMTYICSA-N 0 1 322.365 0.833 20 5 DCBDMN Cc1nc(N2CCC[C@H](c3n[nH]c(=O)o3)C2)ncc1[N+](=O)[O-] ZINC000296706766 534441816 /nfs/dbraw/zinc/44/18/16/534441816.db2.gz FWRZWWIGQVUYHQ-QMMMGPOBSA-N 0 1 306.282 0.754 20 5 DCBDMN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCNCC1 ZINC000237884973 526656948 /nfs/dbraw/zinc/65/69/48/526656948.db2.gz GCAYFCLUTKNXQQ-UHFFFAOYSA-N 0 1 302.294 0.221 20 5 DCBDMN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000364777568 526928329 /nfs/dbraw/zinc/92/83/29/526928329.db2.gz GTRXXRACRRVRRO-HLUHBDAQSA-N 0 1 307.281 0.712 20 5 DCBDMN CC(C)(NCCNS(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000292111993 535248720 /nfs/dbraw/zinc/24/87/20/535248720.db2.gz JDQCXIXRVPTZLZ-UHFFFAOYSA-N 0 1 301.368 0.969 20 5 DCBDMN CN(Cc1nnc[nH]1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736829765 598933728 /nfs/dbraw/zinc/93/37/28/598933728.db2.gz DCYWCFARUWNOML-UHFFFAOYSA-N 0 1 301.270 0.529 20 5 DCBDMN CN(Cc1nnc[nH]1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736831196 598933811 /nfs/dbraw/zinc/93/38/11/598933811.db2.gz VABWUYLFYMUNPF-UHFFFAOYSA-N 0 1 301.270 0.529 20 5 DCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCC[N@H+]1CC(=O)[O-] ZINC000821297782 598063866 /nfs/dbraw/zinc/06/38/66/598063866.db2.gz IXKMFLCUOPCAJL-VIFPVBQESA-N 0 1 311.294 0.639 20 5 DCBDMN Nc1ccc(C(=O)OC[C@H]2CCC[N@H+]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000821369449 598065440 /nfs/dbraw/zinc/06/54/40/598065440.db2.gz UPBJERVYKLPNIX-SNVBAGLBSA-N 0 1 323.305 0.883 20 5 DCBDMN CC(C)[N@@H+](CCC(=O)[O-])C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000826946966 600829215 /nfs/dbraw/zinc/82/92/15/600829215.db2.gz MBTGUNSWSHPHFP-NSHDSACASA-N 0 1 300.315 0.337 20 5 DCBDMN CN(C[C@H]1CC[N@H+](C)C1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821621692 606707898 /nfs/dbraw/zinc/70/78/98/606707898.db2.gz BWAPNSPDVDZNDP-VIFPVBQESA-N 0 1 318.341 0.558 20 5 DCBDMN CN(C[C@H]1CC[N@@H+](C)C1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821621692 606707899 /nfs/dbraw/zinc/70/78/99/606707899.db2.gz BWAPNSPDVDZNDP-VIFPVBQESA-N 0 1 318.341 0.558 20 5 DCBDMN CN(C[C@H]1CC[N@H+](C)C1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821621692 606707900 /nfs/dbraw/zinc/70/79/00/606707900.db2.gz BWAPNSPDVDZNDP-VIFPVBQESA-N 0 1 318.341 0.558 20 5 DCBDMN CN(C[C@H]1CC[N@@H+](C)C1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821621692 606707901 /nfs/dbraw/zinc/70/79/01/606707901.db2.gz BWAPNSPDVDZNDP-VIFPVBQESA-N 0 1 318.341 0.558 20 5 DCBDMN C[NH+](C)C[C@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821583367 606710407 /nfs/dbraw/zinc/71/04/07/606710407.db2.gz SPRBFGPKBIDABR-SECBINFHSA-N 0 1 318.341 0.558 20 5 DCBDMN C[NH+](C)C[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821583367 606710409 /nfs/dbraw/zinc/71/04/09/606710409.db2.gz SPRBFGPKBIDABR-SECBINFHSA-N 0 1 318.341 0.558 20 5 DCBDMN O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC000823651485 607230071 /nfs/dbraw/zinc/23/00/71/607230071.db2.gz LUTMVNBBIOJJRK-UHFFFAOYSA-N 0 1 304.270 0.354 20 5 DCBDMN O=C(N[C@@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000980237370 660898986 /nfs/dbraw/zinc/89/89/86/660898986.db2.gz MUAMYRMECOAIJQ-YJIVIRPOSA-N 0 1 321.377 0.709 20 5 DCBDMN Cc1cc(CN2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC000981137405 661085012 /nfs/dbraw/zinc/08/50/12/661085012.db2.gz SXTXWLDRPKAVSK-CHWSQXEVSA-N 0 1 308.338 0.683 20 5 DCBDMN O=C(N[C@@H]1C[C@H](NC(=O)C2CC3(CC3)C2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000974111851 659212489 /nfs/dbraw/zinc/21/24/89/659212489.db2.gz QGGUCSFFSIJUJC-WRWGMCAJSA-N 0 1 307.350 0.605 20 5 DCBDMN O=C(CC1=CCOCC1)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973257205 659213937 /nfs/dbraw/zinc/21/39/37/659213937.db2.gz JHNURQGZGOIORN-FDYHWXHSSA-N 0 1 323.349 0.152 20 5 DCBDMN O=C(N[C@H]1C[C@@H](NC(=O)C23CCC(CC2)C3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000974114214 659214631 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0.697 20 5 DCBDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccn(C)n1 ZINC001570196807 1161488481 /nfs/dbraw/zinc/48/84/81/1161488481.db2.gz PZVJRLWPWDDCBB-CHWSQXEVSA-N 0 1 309.370 0.366 20 5 DCBDMN C[N@@H+]1CC[C@@H]2CN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C[C@@H]21 ZINC001579381008 1165290900 /nfs/dbraw/zinc/29/09/00/1165290900.db2.gz IKUFDRBFKQVSDN-SCZZXKLOSA-N 0 1 316.325 0.310 20 5 DCBDMN C[N@H+]1CC[C@@H]2CN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C[C@@H]21 ZINC001579381008 1165290909 /nfs/dbraw/zinc/29/09/09/1165290909.db2.gz IKUFDRBFKQVSDN-SCZZXKLOSA-N 0 1 316.325 0.310 20 5 DCBDMN C[N@@H+]1CC[C@@H]2CN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C[C@@H]21 ZINC001579381008 1165290914 /nfs/dbraw/zinc/29/09/14/1165290914.db2.gz IKUFDRBFKQVSDN-SCZZXKLOSA-N 0 1 316.325 0.310 20 5 DCBDMN C[N@H+]1CC[C@@H]2CN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C[C@@H]21 ZINC001579381008 1165290919 /nfs/dbraw/zinc/29/09/19/1165290919.db2.gz IKUFDRBFKQVSDN-SCZZXKLOSA-N 0 1 316.325 0.310 20 5 DCBDMN Cc1noc(C)c1C(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001580638925 1165669446 /nfs/dbraw/zinc/66/94/46/1165669446.db2.gz HPBHNZVUBNQISH-NXEZZACHSA-N 0 1 310.310 0.145 20 5 DCBDMN CCn1ccc(C(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC001580966902 1165764349 /nfs/dbraw/zinc/76/43/49/1165764349.db2.gz LAJDETZWVFGHDR-CHWSQXEVSA-N 0 1 322.365 0.670 20 5 DCBDMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)/C=C\C1CC1 ZINC001581372672 1165818292 /nfs/dbraw/zinc/81/82/92/1165818292.db2.gz CKGVGMIENPOOAT-NTQVKLLNSA-N 0 1 309.366 0.973 20 5 DCBDMN Cc1cnccc1C(=O)N(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001582945902 1166140092 /nfs/dbraw/zinc/14/00/92/1166140092.db2.gz QMFBSVNVGUQZJX-CHWSQXEVSA-N 0 1 320.349 0.586 20 5 DCBDMN Cc1cncc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001584912405 1166384464 /nfs/dbraw/zinc/38/44/64/1166384464.db2.gz OLOWFBMRDPVHGR-VXGBXAGGSA-N 0 1 318.333 0.434 20 5 DCBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CN(C)CCN1C ZINC001586538797 1166495199 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5 DCBDMN CCCCNC(=O)[C@@H](C)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001590602590 1166949004 /nfs/dbraw/zinc/94/90/04/1166949004.db2.gz QGLUYHGKRPOXOX-SSDOTTSWSA-N 0 1 308.302 0.449 20 5 DCBDMN C[NH+](C)[C@@H]1[C@H]2CN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C[C@H]21 ZINC001591025429 1167084136 /nfs/dbraw/zinc/08/41/36/1167084136.db2.gz UCAPFLJCVXJHLZ-MYJAWHEDSA-N 0 1 316.325 0.166 20 5 DCBDMN C[NH+](C)[C@@H]1[C@H]2CN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C[C@H]21 ZINC001591025429 1167084142 /nfs/dbraw/zinc/08/41/42/1167084142.db2.gz UCAPFLJCVXJHLZ-MYJAWHEDSA-N 0 1 316.325 0.166 20 5 DCBDMN O=[N+]([O-])c1cnc(NCCN2CC=CC2)c(-c2nn[nH]n2)c1 ZINC001593484569 1167866501 /nfs/dbraw/zinc/86/65/01/1167866501.db2.gz GCCKMHIOEGZCAX-UHFFFAOYSA-N 0 1 302.298 0.454 20 5 DCBDMN O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1CN1C[C@H]2C[C@@]2(O)C1 ZINC001593482705 1167869621 /nfs/dbraw/zinc/86/96/21/1167869621.db2.gz QHGJBRMCLFUMPX-AMIZOPFISA-N 0 1 302.294 0.342 20 5 DCBDMN CNC(=O)N[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC001595611291 1167973350 /nfs/dbraw/zinc/97/33/50/1167973350.db2.gz UXOIMNXLXGYWPO-QMMMGPOBSA-N 0 1 310.314 0.160 20 5 DCBDMN COc1ccc(CNC(=O)[C@]2(C)C[C@H](O)CN2C)cc1[N+](=O)[O-] ZINC001596969932 1167999339 /nfs/dbraw/zinc/99/93/39/1167999339.db2.gz BPFZBJNYKUZRFP-NHYWBVRUSA-N 0 1 323.349 0.675 20 5 DCBDMN CC(C)(C(=O)N[C@@]12CC[N@@H+](C1)CCC2)n1cc([N+](=O)[O-])cn1 ZINC001597367239 1168007258 /nfs/dbraw/zinc/00/72/58/1168007258.db2.gz TVWDNOSOEFELPN-AWEZNQCLSA-N 0 1 307.354 0.881 20 5 DCBDMN O=C([O-])[C@@H]1[C@@H](O)CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001601751467 1168850353 /nfs/dbraw/zinc/85/03/53/1168850353.db2.gz HNWLDBUYPZOJGW-AAEUAGOBSA-N 0 1 310.306 0.884 20 5 DCBDMN O=C([O-])[C@@H]1[C@@H](O)CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001601751467 1168850362 /nfs/dbraw/zinc/85/03/62/1168850362.db2.gz HNWLDBUYPZOJGW-AAEUAGOBSA-N 0 1 310.306 0.884 20 5 DCBDMN O=C([O-])[C@@H]1C[C@H](O)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001601768755 1168867110 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YSFNDRZUQQVKDE-DTORHVGOSA-N 0 1 316.325 0.168 20 5 DCBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N2CC(C[NH+]3CCOCC3)C2)n1 ZINC001610842423 1171337859 /nfs/dbraw/zinc/33/78/59/1171337859.db2.gz WVCVWGMACSMFRD-UHFFFAOYSA-N 0 1 322.321 0.456 20 5 DCBDMN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001622581992 1171427200 /nfs/dbraw/zinc/42/72/00/1171427200.db2.gz CWKJEZFZFZBUPU-LURQLKTLSA-N 0 1 300.340 0.651 20 5 DCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)n1 ZINC001623488860 1171438431 /nfs/dbraw/zinc/43/84/31/1171438431.db2.gz PRYCBVUWNVXOJM-WDEREUQCSA-N 0 1 323.353 0.092 20 5 DCBDMN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)n1 ZINC001626953922 1171493016 /nfs/dbraw/zinc/49/30/16/1171493016.db2.gz HBQKSKPNFPCYRM-WCQYABFASA-N 0 1 320.349 0.579 20 5 DCBDMN CC(=O)N1C[C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001633207071 1171635350 /nfs/dbraw/zinc/63/53/50/1171635350.db2.gz LOWMBKWOOFZYTR-TXEJJXNPSA-N 0 1 319.317 0.851 20 5 DCBDMN COC(=O)[C@@H]1[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1(F)F ZINC001636957113 1171754032 /nfs/dbraw/zinc/75/40/32/1171754032.db2.gz SRYZBVWIIKYFBY-NJGYIYPDSA-N 0 1 304.209 0.102 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](O)[C@@H](F)C2)c1[N+](=O)[O-] ZINC001637145654 1171758936 /nfs/dbraw/zinc/75/89/36/1171758936.db2.gz ZLONTWCLZYSACL-CBAPKCEASA-N 0 1 300.290 0.815 20 5 DCBDMN CCn1cc([N+](=O)[O-])c(C(=O)NC2(c3nnc[nH]3)CCC2)n1 ZINC001638930840 1171814291 /nfs/dbraw/zinc/81/42/91/1171814291.db2.gz JNHPAWAKFKXVHM-UHFFFAOYSA-N 0 1 305.298 0.739 20 5 DCBDMN Cn1cc([N+](=O)[O-])c(N2CCC(CN3CCOCC3)CC2)n1 ZINC001642078519 1171936205 /nfs/dbraw/zinc/93/62/05/1171936205.db2.gz WNTWLIQGCBOWNQ-UHFFFAOYSA-N 0 1 309.370 0.877 20 5 DCBDMN Cc1nc(N2CCN(C[C@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC001642136624 1171937890 /nfs/dbraw/zinc/93/78/90/1171937890.db2.gz CXKIOYMXRJKDJW-GFCCVEGCSA-N 0 1 307.354 0.852 20 5 DCBDMN Cn1cnc([N+](=O)[O-])c1N1CC(c2[nH]nc3c2COCC3)C1 ZINC001643311405 1171971204 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COc1cc(CNC[C@@H](O)c2cnn(C)c2)c([N+](=O)[O-])cc1O ZINC001655729057 1173826162 /nfs/dbraw/zinc/82/61/62/1173826162.db2.gz YLYHFBMTSNZPDE-CYBMUJFWSA-N 0 1 322.321 0.866 20 5 DCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCc3cc(O)ccc3C2)c1 ZINC001655922857 1173830394 /nfs/dbraw/zinc/83/03/94/1173830394.db2.gz WDVAKWPSZNVDJT-OAHLLOKOSA-N 0 1 318.333 0.916 20 5 DCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2cccc(F)n2)n1 ZINC001662955453 1174253793 /nfs/dbraw/zinc/25/37/93/1174253793.db2.gz ARDFSKVSUDQBRX-UHFFFAOYSA-N 0 1 315.286 0.341 20 5 DCBDMN O=C(C(F)F)N(CCO)CCNCc1ccccc1[N+](=O)[O-] ZINC001672571097 1175126748 /nfs/dbraw/zinc/12/67/48/1175126748.db2.gz BVMOQGXHXDYKNL-UHFFFAOYSA-N 0 1 317.292 0.770 20 5 DCBDMN CN1CC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001675047065 1175322100 /nfs/dbraw/zinc/32/21/00/1175322100.db2.gz ZDXSSGBOGAHXSR-VIFPVBQESA-N 0 1 307.310 0.519 20 5 DCBDMN Cc1cccc(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1F ZINC001688325759 1176453484 /nfs/dbraw/zinc/45/34/84/1176453484.db2.gz PBPJNMRWZWJYLR-VXGBXAGGSA-N 0 1 323.324 0.988 20 5 DCBDMN O=C(Cc1ccoc1)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001688658124 1176572862 /nfs/dbraw/zinc/57/28/62/1176572862.db2.gz ZTKLGALITCUYFJ-VXGBXAGGSA-N 0 1 307.306 0.062 20 5 DCBDMN CC(=O)CCCC(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001705320320 1180341190 /nfs/dbraw/zinc/34/11/90/1180341190.db2.gz KUVVIAICKTXVBQ-VXGBXAGGSA-N 0 1 311.338 0.080 20 5 DCBDMN CC(=O)NCC(=O)N(C)CCNCc1csc([N+](=O)[O-])c1 ZINC001713568758 1180926403 /nfs/dbraw/zinc/92/64/03/1180926403.db2.gz USUKNHNQYODRBF-UHFFFAOYSA-N 0 1 314.367 0.340 20 5 DCBDMN CC(C)(C)OCC(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001721390662 1183927104 /nfs/dbraw/zinc/92/71/04/1183927104.db2.gz DHLBORLKQPFDPW-GHMZBOCLSA-N 0 1 313.354 0.041 20 5 DCBDMN Cn1cccc1C(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001721794807 1184043092 /nfs/dbraw/zinc/04/30/92/1184043092.db2.gz WNRVKXXYDVWTPD-IRSQKABVSA-N 0 1 306.322 0.093 20 5 DCBDMN O=C(NCC1(NC(=O)C2CC(F)(F)C2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001722069219 1184162157 /nfs/dbraw/zinc/16/21/57/1184162157.db2.gz WQSANPOMWAIRHX-RKDXNWHRSA-N 0 1 317.292 0.462 20 5 DCBDMN CC1(NC(=O)C(N)=O)CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001724015148 1184369028 /nfs/dbraw/zinc/36/90/28/1184369028.db2.gz VVJVCAKRWMRBIN-UHFFFAOYSA-N 0 1 320.349 0.551 20 5 DCBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1occ2c1CCCC2 ZINC001736741323 1187080139 /nfs/dbraw/zinc/08/01/39/1187080139.db2.gz GICXGTNIBWPMSA-VXGBXAGGSA-N 0 1 321.333 0.670 20 5 DCBDMN CCN(CCCNC(=O)c1[nH]cnc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737274005 1187300859 /nfs/dbraw/zinc/30/08/59/1187300859.db2.gz QJPVVIFDGRQLII-GHMZBOCLSA-N 0 1 323.353 0.352 20 5 DCBDMN CCCSCC(=O)N(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001738350049 1187516191 /nfs/dbraw/zinc/51/61/91/1187516191.db2.gz RKGCJJMXWXCOBA-GHMZBOCLSA-N 0 1 317.411 0.712 20 5 DCBDMN O=C(/C=C\c1ccco1)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001738751423 1187647569 /nfs/dbraw/zinc/64/75/69/1187647569.db2.gz TWTCQFNOLDDHAS-OPVGQWETSA-N 0 1 319.317 0.723 20 5 DCBDMN COCC(C)(C)C(=O)N(C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001743456814 1188135389 /nfs/dbraw/zinc/13/53/89/1188135389.db2.gz VNPXMRQDBIUSMF-GHMZBOCLSA-N 0 1 315.370 0.289 20 5 DCBDMN CCN(CCCNC(=O)c1ccncc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001743788865 1188162430 /nfs/dbraw/zinc/16/24/30/1188162430.db2.gz NLFOSZVFUDEJMS-CHWSQXEVSA-N 0 1 320.349 0.715 20 5 DCBDMN CC1(C)CC(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001747783233 1188302083 /nfs/dbraw/zinc/30/20/83/1188302083.db2.gz OKBCZMGWOPECLQ-GHMZBOCLSA-N 0 1 309.366 0.853 20 5 DCBDMN CN(CCNCc1csc([N+](=O)[O-])c1)C(=O)Cc1nnc[nH]1 ZINC001753250462 1188548540 /nfs/dbraw/zinc/54/85/40/1188548540.db2.gz IGMXYXKBRMORQB-UHFFFAOYSA-N 0 1 324.366 0.565 20 5 DCBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1C=CC=CC=C1 ZINC001758369495 1189857890 /nfs/dbraw/zinc/85/78/90/1189857890.db2.gz HDQCHUBZWNHFBF-ZIAGYGMSSA-N 0 1 319.361 0.915 20 5 DCBDMN C=C/C(C)=C\CC(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001759699233 1190273819 /nfs/dbraw/zinc/27/38/19/1190273819.db2.gz MUROLFFVXBSMAP-STLSVXNASA-N 0 1 307.350 0.963 20 5 DCBDMN CCN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)c1[nH]nnc1C ZINC001106919556 751623482 /nfs/dbraw/zinc/62/34/82/751623482.db2.gz MPRJLLYHDBPFAY-UHFFFAOYSA-N 0 1 319.325 0.991 20 5 DCBDMN CC(C)c1nc(CN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)no1 ZINC001042704912 751851192 /nfs/dbraw/zinc/85/11/92/751851192.db2.gz BKCBNMGOFGDIDI-GHMZBOCLSA-N 0 1 323.353 0.501 20 5 DCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2nc(C3CC3)no2)C1 ZINC001042705498 751851653 /nfs/dbraw/zinc/85/16/53/751851653.db2.gz UQKYKVDJUQTITB-GHMZBOCLSA-N 0 1 321.337 0.255 20 5 DCBDMN Cc1cc(NCC=CCNC(=O)c2cnn[nH]2)ncc1[N+](=O)[O-] ZINC001107586631 752136010 /nfs/dbraw/zinc/13/60/10/752136010.db2.gz FXNWNXQAWVWKTG-IHWYPQMZSA-N 0 1 317.309 0.814 20 5 DCBDMN CC(=O)Nc1ccc(-n2c(C)ncc(CN)c2=N)cc1[N+](=O)[O-] ZINC001167675180 747520314 /nfs/dbraw/zinc/52/03/14/747520314.db2.gz IKVDAISDGNOMPF-UHFFFAOYSA-N 0 1 316.321 0.985 20 5 DCBDMN CNC(=O)CCCC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001126015907 748185627 /nfs/dbraw/zinc/18/56/27/748185627.db2.gz XCBHOBIPOCTPCM-UHFFFAOYSA-N 0 1 322.365 0.717 20 5 DCBDMN Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](NC(=O)c3ncn[nH]3)C2)n1 ZINC001059692574 749474624 /nfs/dbraw/zinc/47/46/24/749474624.db2.gz ZIFXNCDCGKBAGI-DTORHVGOSA-N 0 1 317.309 0.789 20 5 DCBDMN Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](NC(=O)c3nc[nH]n3)C2)n1 ZINC001059692574 749474628 /nfs/dbraw/zinc/47/46/28/749474628.db2.gz ZIFXNCDCGKBAGI-DTORHVGOSA-N 0 1 317.309 0.789 20 5 DCBDMN O=C(N[C@@H]1[C@H]2CN(c3ccccc3[N+](=O)[O-])C[C@H]21)c1cnn[nH]1 ZINC001060489486 751044167 /nfs/dbraw/zinc/04/41/67/751044167.db2.gz WGIRRKBNGQUVPR-WOFXILAISA-N 0 1 314.305 0.578 20 5 DCBDMN Cn1ccnc1CN1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001045436745 753194152 /nfs/dbraw/zinc/19/41/52/753194152.db2.gz WBPFFPVKOCYMJF-VXGBXAGGSA-N 0 1 321.381 0.556 20 5 DCBDMN O=C(N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cn2)C1)c1cnn[nH]1 ZINC001068618369 760435691 /nfs/dbraw/zinc/43/56/91/760435691.db2.gz KAGUYWYVVZCPFU-KYZUINATSA-N 0 1 317.309 0.728 20 5 DCBDMN Cc1nn[nH]c1C(=O)N(C)CCCNc1ccc([N+](=O)[O-])cn1 ZINC001109574627 761464277 /nfs/dbraw/zinc/46/42/77/761464277.db2.gz NBWNKFJPLLPJIP-UHFFFAOYSA-N 0 1 319.325 0.991 20 5 DCBDMN Cc1nn[nH]c1C(=O)N(C)CCNc1ncc([N+](=O)[O-])cc1C ZINC001101885818 764398662 /nfs/dbraw/zinc/39/86/62/764398662.db2.gz SDBKRSNMJNQQSK-UHFFFAOYSA-N 0 1 319.325 0.909 20 5 DCBDMN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001124393828 768233394 /nfs/dbraw/zinc/23/33/94/768233394.db2.gz LIQVWRUHVVJVEE-MWLCHTKSSA-N 0 1 302.290 0.959 20 5 DCBDMN CC(C)c1n[nH]c(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n1 ZINC001115986589 765835112 /nfs/dbraw/zinc/83/51/12/765835112.db2.gz OSADQFMQKPAVGR-UHFFFAOYSA-N 0 1 306.282 0.637 20 5 DCBDMN CC(C)c1nc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n[nH]1 ZINC001115986589 765835118 /nfs/dbraw/zinc/83/51/18/765835118.db2.gz OSADQFMQKPAVGR-UHFFFAOYSA-N 0 1 306.282 0.637 20 5 DCBDMN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001119682588 766773686 /nfs/dbraw/zinc/77/36/86/766773686.db2.gz OELINQOMALFHMU-NWDGAFQWSA-N 0 1 320.349 0.452 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CCSC[C@H]2CO)c1[N+](=O)[O-] ZINC001137625926 768384947 /nfs/dbraw/zinc/38/49/47/768384947.db2.gz UOVYAIIISRRAFT-MRVPVSSYSA-N 0 1 314.367 0.991 20 5 DCBDMN Cc1cc(C(=O)N[C@H](CO)Cc2cnc[nH]2)ccc1[N+](=O)[O-] ZINC001174941047 769828954 /nfs/dbraw/zinc/82/89/54/769828954.db2.gz NBYBDPSSMNKBOJ-LBPRGKRZSA-N 0 1 304.306 0.960 20 5 DCBDMN Cc1nonc1C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001153559781 769851783 /nfs/dbraw/zinc/85/17/83/769851783.db2.gz BEFIAVZLVXSQDX-UHFFFAOYSA-N 0 1 311.323 0.867 20 5 DCBDMN O=C(NCC1(Nc2ncccc2[N+](=O)[O-])CC1)c1ncn[nH]1 ZINC001110199967 770335854 /nfs/dbraw/zinc/33/58/54/770335854.db2.gz QHLHURAVDWSESJ-UHFFFAOYSA-N 0 1 303.282 0.482 20 5 DCBDMN O=C(NCC1(Nc2ncccc2[N+](=O)[O-])CC1)c1nc[nH]n1 ZINC001110199967 770335866 /nfs/dbraw/zinc/33/58/66/770335866.db2.gz QHLHURAVDWSESJ-UHFFFAOYSA-N 0 1 303.282 0.482 20 5 DCBDMN COC(=O)[C@H](N)C1CCN(c2nc(C)ncc2[N+](=O)[O-])CC1 ZINC001155151695 770414188 /nfs/dbraw/zinc/41/41/88/770414188.db2.gz FYHPLXBDOXKVHJ-LLVKDONJSA-N 0 1 309.326 0.410 20 5 DCBDMN Nc1nc(NCc2nnc3n2CCCNC3)ccc1[N+](=O)[O-] ZINC001155430256 770499993 /nfs/dbraw/zinc/49/99/93/770499993.db2.gz KARISRQPBOZRPU-UHFFFAOYSA-N 0 1 304.314 0.269 20 5 DCBDMN COC(=O)c1cc([N+](=O)[O-])cnc1-n1c(C)ncc(CN)c1=N ZINC001156826278 770936485 /nfs/dbraw/zinc/93/64/85/770936485.db2.gz YOGHLWBOOZJVIJ-UHFFFAOYSA-N 0 1 318.293 0.209 20 5 DCBDMN CCOc1nc(-n2c(C)ncc(CN)c2=N)ccc1[N+](=O)[O-] ZINC001156830633 770937382 /nfs/dbraw/zinc/93/73/82/770937382.db2.gz QBAGIVUUWTYIAI-UHFFFAOYSA-N 0 1 304.310 0.821 20 5 DCBDMN O=C(NCCNCc1ccc([N+](=O)[O-])cc1F)c1ccn[nH]1 ZINC001180317998 771095344 /nfs/dbraw/zinc/09/53/44/771095344.db2.gz ULLYYOVBHFIJFK-UHFFFAOYSA-N 0 1 307.285 0.977 20 5 DCBDMN C[C@@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1=NN(C)CC1=O ZINC001158307432 771756894 /nfs/dbraw/zinc/75/68/94/771756894.db2.gz PAPGOZHVHAWRKF-OQPBUACISA-N 0 1 320.305 0.945 20 5 DCBDMN CN(C)C1(CS(=O)(=O)Oc2cccnc2[N+](=O)[O-])CC1 ZINC001184568736 771799608 /nfs/dbraw/zinc/79/96/08/771799608.db2.gz HRFSMLXXVCURIO-UHFFFAOYSA-N 0 1 301.324 0.793 20 5 DCBDMN O=C(NCC1(Nc2ccc([N+](=O)[O-])cn2)CC1)c1cnn[nH]1 ZINC001110396519 772222494 /nfs/dbraw/zinc/22/24/94/772222494.db2.gz XATRCHIWAIUKGT-UHFFFAOYSA-N 0 1 303.282 0.482 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[C@H]3COC(=O)N[C@@H]3C2)c1[N+](=O)[O-] ZINC001164672916 772690875 /nfs/dbraw/zinc/69/08/75/772690875.db2.gz MIATYAIULHUDMI-IONNQARKSA-N 0 1 323.309 0.451 20 5 DCBDMN COC(=O)[C@@H]1CNCCN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC001165443537 772739455 /nfs/dbraw/zinc/73/94/55/772739455.db2.gz XTUQXBIXMDVFLF-NSHDSACASA-N 0 1 317.305 0.489 20 5 DCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCCN2C)n1 ZINC001195688352 773456994 /nfs/dbraw/zinc/45/69/94/773456994.db2.gz JVCFCVCOZHKKDN-VIFPVBQESA-N 0 1 317.371 0.091 20 5 DCBDMN Cn1nccc1C1(O)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001197451376 773755444 /nfs/dbraw/zinc/75/54/44/773755444.db2.gz VNHFPASKGOSBQP-UHFFFAOYSA-N 0 1 320.353 0.508 20 5 DCBDMN Cc1cc(N(C)CCCNC(=O)c2ncn[nH]2)ncc1[N+](=O)[O-] ZINC001095608804 775258608 /nfs/dbraw/zinc/25/86/08/775258608.db2.gz ROIAMQWRMPMAFJ-UHFFFAOYSA-N 0 1 319.325 0.673 20 5 DCBDMN Cc1cc(N(C)CCCNC(=O)c2nc[nH]n2)ncc1[N+](=O)[O-] ZINC001095608804 775258615 /nfs/dbraw/zinc/25/86/15/775258615.db2.gz ROIAMQWRMPMAFJ-UHFFFAOYSA-N 0 1 319.325 0.673 20 5 DCBDMN Cc1cc(N(C)CCCNC(=O)c2cnn[nH]2)ncc1[N+](=O)[O-] ZINC001095778687 775665105 /nfs/dbraw/zinc/66/51/05/775665105.db2.gz MBVJFDNZUSOXSO-UHFFFAOYSA-N 0 1 319.325 0.673 20 5 DCBDMN CC(C)CNC(=O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001318107712 945266228 /nfs/dbraw/zinc/26/62/28/945266228.db2.gz KPTAQOKZEHXCFF-UHFFFAOYSA-N 0 1 319.321 0.973 20 5 DCBDMN Cc1nn(C)c(C(=O)N[C@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC001318302809 945316963 /nfs/dbraw/zinc/31/69/63/945316963.db2.gz MGEFMQKACJWOSR-SNVBAGLBSA-N 0 1 324.385 0.002 20 5 DCBDMN CN1CC[C@@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001246197853 945360302 /nfs/dbraw/zinc/36/03/02/945360302.db2.gz UJWVPIMGPKJRQN-SNVBAGLBSA-N 0 1 318.337 0.974 20 5 DCBDMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnsn1 ZINC001317539976 945036308 /nfs/dbraw/zinc/03/63/08/945036308.db2.gz DLLISWOSNHUVEA-GHMZBOCLSA-N 0 1 313.383 0.532 20 5 DCBDMN CN1CCN(C2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001321004508 946114942 /nfs/dbraw/zinc/11/49/42/946114942.db2.gz VXUIZZQCJLSOEE-UHFFFAOYSA-N 0 1 318.377 0.596 20 5 DCBDMN CN1CCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC001322445307 946680152 /nfs/dbraw/zinc/68/01/52/946680152.db2.gz LBRAJIVCLDZDGN-UHFFFAOYSA-N 0 1 310.358 0.074 20 5 DCBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[N@@H+](CCO)C[C@H]2C)n1 ZINC001261503110 947322339 /nfs/dbraw/zinc/32/23/39/947322339.db2.gz MHTBBFNBCIROIJ-SNVBAGLBSA-N 0 1 324.337 0.499 20 5 DCBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[N@H+](CCO)C[C@H]2C)n1 ZINC001261503110 947322352 /nfs/dbraw/zinc/32/23/52/947322352.db2.gz MHTBBFNBCIROIJ-SNVBAGLBSA-N 0 1 324.337 0.499 20 5 DCBDMN O=C(CCc1c[nH]nn1)NCCNc1ncccc1[N+](=O)[O-] ZINC001094129778 947778481 /nfs/dbraw/zinc/77/84/81/947778481.db2.gz KYRBIAQKDZJWTQ-UHFFFAOYSA-N 0 1 305.298 0.269 20 5 DCBDMN O=C(CCc1cnn[nH]1)NCCNc1ncccc1[N+](=O)[O-] ZINC001094129778 947778491 /nfs/dbraw/zinc/77/84/91/947778491.db2.gz KYRBIAQKDZJWTQ-UHFFFAOYSA-N 0 1 305.298 0.269 20 5 DCBDMN C/C=C(\C)C(=O)NCCN(CCOC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001488532808 948947993 /nfs/dbraw/zinc/94/79/93/948947993.db2.gz DWBSZJMCNVZBGI-LGSVWZNTSA-N 0 1 313.354 0.209 20 5 DCBDMN CC(F)(F)C(=O)NCC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001281535763 951534170 /nfs/dbraw/zinc/53/41/70/951534170.db2.gz OTMZZVDZOROTBI-RKDXNWHRSA-N 0 1 319.308 0.710 20 5 DCBDMN Cc1cc(=O)n2nc(NC(=O)c3ccc([N+](=O)[O-])s3)[nH]c2n1 ZINC001274687850 951792743 /nfs/dbraw/zinc/79/27/43/951792743.db2.gz SQVJXRVQEDTJGG-UHFFFAOYSA-N 0 1 320.290 0.948 20 5 DCBDMN COC(=O)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)OC ZINC001336888397 952781024 /nfs/dbraw/zinc/78/10/24/952781024.db2.gz JRLCEDIPTVNMIJ-STQMWFEESA-N 0 1 322.317 0.989 20 5 DCBDMN O=C([O-])c1cnc(N2CC[NH+](CCCCO)CC2)c([N+](=O)[O-])c1 ZINC001337926001 952935136 /nfs/dbraw/zinc/93/51/36/952935136.db2.gz NWFUNAXMFMDPPD-UHFFFAOYSA-N 0 1 324.337 0.583 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CC[C@H](CS(C)(=O)=O)C2)c1[N+](=O)[O-] ZINC001343990857 953405954 /nfs/dbraw/zinc/40/59/54/953405954.db2.gz WTEBKBBMFJKASP-QMMMGPOBSA-N 0 1 316.339 0.133 20 5 DCBDMN C[C@H]1CN2CCN1C[C@H]2C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001346473753 953897950 /nfs/dbraw/zinc/89/79/50/953897950.db2.gz WAGWCHZWRAFKRS-NHYWBVRUSA-N 0 1 316.361 0.872 20 5 DCBDMN C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C(=O)[O-] ZINC001589355670 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Cc1nc(C)c(C(=O)N(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])[nH]1 ZINC001351466533 955307551 /nfs/dbraw/zinc/30/75/51/955307551.db2.gz NTTHZPBJNOGUGM-GHMZBOCLSA-N 0 1 323.353 0.270 20 5 DCBDMN CN(CCCNC(=O)c1ccsn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001351624633 955360870 /nfs/dbraw/zinc/36/08/70/955360870.db2.gz PZCYCWMRYXOIJJ-PSASIEDQSA-N 0 1 312.351 0.387 20 5 DCBDMN CC1(C(=O)NCC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC=CC1 ZINC001284991956 955398023 /nfs/dbraw/zinc/39/80/23/955398023.db2.gz KMJLOFQPWGPUND-VXGBXAGGSA-N 0 1 307.350 0.583 20 5 DCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1)c1ccon1 ZINC001285108729 955464821 /nfs/dbraw/zinc/46/48/21/955464821.db2.gz JHGBDYGGPRLIMF-MWLCHTKSSA-N 0 1 322.321 0.499 20 5 DCBDMN CCOCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001285115942 955468106 /nfs/dbraw/zinc/46/81/06/955468106.db2.gz ONNYOBUCLGSDBQ-GHMZBOCLSA-N 0 1 313.354 0.233 20 5 DCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1)c1cocn1 ZINC001285114913 955468755 /nfs/dbraw/zinc/46/87/55/955468755.db2.gz CHVIPFVSYMQOAJ-MWLCHTKSSA-N 0 1 322.321 0.499 20 5 DCBDMN Cc1nc(N2CCN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])CC2)n[nH]1 ZINC001300185446 955904358 /nfs/dbraw/zinc/90/43/58/955904358.db2.gz CYDIWFQPYSERNC-UHFFFAOYSA-N 0 1 320.313 0.015 20 5 DCBDMN Cc1nc(C)c(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]1 ZINC001285923831 956073957 /nfs/dbraw/zinc/07/39/57/956073957.db2.gz QMQOVSSMZXBBQF-NXEZZACHSA-N 0 1 321.337 0.070 20 5 DCBDMN CCC(=CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21)CC ZINC001354075141 956274557 /nfs/dbraw/zinc/27/45/57/956274557.db2.gz KZSLHXQBPWEGLD-VVSAWPALSA-N 0 1 321.377 0.971 20 5 DCBDMN Cn1c(CCC[N+](=O)[O-])nnc1N1CCN(C2CCC2)CC1 ZINC001355391665 956640235 /nfs/dbraw/zinc/64/02/35/956640235.db2.gz KIPAGRIWBWHTBO-UHFFFAOYSA-N 0 1 308.386 0.699 20 5 DCBDMN CCN(CCNC(=O)c1nccs1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001356182143 956794495 /nfs/dbraw/zinc/79/44/95/956794495.db2.gz YBLPUSIHGMTWAB-RKDXNWHRSA-N 0 1 312.351 0.387 20 5 DCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccncc1 ZINC001358644645 957539236 /nfs/dbraw/zinc/53/92/36/957539236.db2.gz UNNFDRPIWUCPJW-GHMZBOCLSA-N 0 1 304.306 0.125 20 5 DCBDMN O=C(NCCCN(C(=O)c1cnco1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001294595001 957548951 /nfs/dbraw/zinc/54/89/51/957548951.db2.gz PKPLMIABUAHMJS-GHMZBOCLSA-N 0 1 322.321 0.451 20 5 DCBDMN O=C(CCn1cccc1)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001295116368 957644684 /nfs/dbraw/zinc/64/46/84/957644684.db2.gz UPTBRVNQNRQMAF-FDYHWXHSSA-N 0 1 320.349 0.307 20 5 DCBDMN CCCC1(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001295116389 957645271 /nfs/dbraw/zinc/64/52/71/957645271.db2.gz VSIRGZLKAMXEHJ-DDHJBXDOSA-N 0 1 309.366 0.995 20 5 DCBDMN CN(CCNC(=O)c1cc2occc2[nH]1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296105385 957901035 /nfs/dbraw/zinc/90/10/35/957901035.db2.gz SVKYADQQBCLKPS-LDYMZIIASA-N 0 1 320.305 0.614 20 5 DCBDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC001603391020 973007109 /nfs/dbraw/zinc/00/71/09/973007109.db2.gz GGEYLQXHEZWDNS-WDEREUQCSA-N 0 1 309.322 0.942 20 5 DCBDMN CC(C)(F)C(=O)NCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001523271993 1014633014 /nfs/dbraw/zinc/63/30/14/1014633014.db2.gz HIZLHHVTCDIBHB-GHMZBOCLSA-N 0 1 315.345 0.755 20 5 DCBDMN COC[C@H]1CNCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC001523580346 1014722838 /nfs/dbraw/zinc/72/28/38/1014722838.db2.gz HKOWOLGFBTVVSM-LLVKDONJSA-N 0 1 309.322 0.664 20 5 DCBDMN CC/C(C)=C/C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001526178984 1015226630 /nfs/dbraw/zinc/22/66/30/1015226630.db2.gz KITOEKCNFUEOSP-CYFKDCPDSA-N 0 1 307.350 0.581 20 5 DCBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](O)(C(=O)[O-])C1 ZINC001589438786 986766255 /nfs/dbraw/zinc/76/62/55/986766255.db2.gz PQKUARPOCVOGFF-XPTSAGLGSA-N 0 1 323.305 0.443 20 5 DCBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](O)(C(=O)[O-])C1 ZINC001589438786 986766264 /nfs/dbraw/zinc/76/62/64/986766264.db2.gz PQKUARPOCVOGFF-XPTSAGLGSA-N 0 1 323.305 0.443 20 5 DCBDMN C[N@H+]1C[C@H](OC(=O)CCC(C)(C)[N+](=O)[O-])C[C@]1(C)C(=O)[O-] ZINC001598575099 993262123 /nfs/dbraw/zinc/26/21/23/993262123.db2.gz SDBGWKAVQGOATG-NOZJJQNGSA-N 0 1 302.327 0.913 20 5 DCBDMN C[N@H+]1CC[C@@](O)(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001598585952 993382796 /nfs/dbraw/zinc/38/27/96/993382796.db2.gz MNDWKIMWJORFIP-CQSZACIVSA-N 0 1 309.322 0.700 20 5 DCBDMN C[N@@H+]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H](CO)C1 ZINC001598619082 993960897 /nfs/dbraw/zinc/96/08/97/993960897.db2.gz DTDDOJQMOKSCDP-LBPRGKRZSA-N 0 1 309.322 0.401 20 5 DCBDMN C[N@H+]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H](CO)C1 ZINC001598619082 993960904 /nfs/dbraw/zinc/96/09/04/993960904.db2.gz DTDDOJQMOKSCDP-LBPRGKRZSA-N 0 1 309.322 0.401 20 5 DCBDMN C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594032064 997614145 /nfs/dbraw/zinc/61/41/45/997614145.db2.gz MDBOADIPKVDWBM-RISCZKNCSA-N 0 1 310.306 0.611 20 5 DCBDMN Nc1cn[nH]c1[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001472351617 1016786679 /nfs/dbraw/zinc/78/66/79/1016786679.db2.gz OVFPYIBHZRSQFT-MRVPVSSYSA-N 0 1 302.294 0.925 20 5 DCBDMN O=C1NCCO[C@@H]2CCCN(Cc3cc(O)ccc3[N+](=O)[O-])[C@@H]12 ZINC001473742234 1016964905 /nfs/dbraw/zinc/96/49/05/1016964905.db2.gz TVUZEBPMCKTNRD-ZIAGYGMSSA-N 0 1 321.333 0.780 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)c1[N+](=O)[O-] ZINC001454495909 1009156549 /nfs/dbraw/zinc/15/65/49/1009156549.db2.gz QGOCVGUQIANODL-YUMQZZPRSA-N 0 1 308.294 0.686 20 5 DCBDMN CC(C)(CCC(=O)NCc1nnc([C@H]2CCOC2)[nH]1)[N+](=O)[O-] ZINC001457929765 1011973444 /nfs/dbraw/zinc/97/34/44/1011973444.db2.gz FJMIJAGSHSLKTA-VIFPVBQESA-N 0 1 311.342 0.760 20 5 DCBDMN CC(C)(CCC(=O)NCc1n[nH]c([C@H]2CCOC2)n1)[N+](=O)[O-] ZINC001457929765 1011973457 /nfs/dbraw/zinc/97/34/57/1011973457.db2.gz FJMIJAGSHSLKTA-VIFPVBQESA-N 0 1 311.342 0.760 20 5 DCBDMN CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001556191827 1012192283 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DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cocc1C ZINC001496739488 1019596486 /nfs/dbraw/zinc/59/64/86/1019596486.db2.gz JJZIXAIITNJGOB-ZYHUDNBSSA-N 0 1 309.322 0.832 20 5 DCBDMN C[C@H](C[S@](C)=O)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000181648940 199332873 /nfs/dbraw/zinc/33/28/73/199332873.db2.gz HSTMIPYMXSUFKC-QFWYVNQISA-N 0 1 310.335 0.968 20 5 DCBDMN CN1CC[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1=O ZINC000172466880 198101460 /nfs/dbraw/zinc/10/14/60/198101460.db2.gz COHMUNOCDDJKJJ-SNVBAGLBSA-N 0 1 303.278 0.432 20 5 DCBDMN CC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H](C)[S@@]1=O ZINC000287232559 219395460 /nfs/dbraw/zinc/39/54/60/219395460.db2.gz JDYMMLHVZYQPLP-BRQACRHRSA-N 0 1 314.367 0.998 20 5 DCBDMN CN1CC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000336843808 283059919 /nfs/dbraw/zinc/05/99/19/283059919.db2.gz XZYLYMVIGJTKJP-MRVPVSSYSA-N 0 1 303.315 0.716 20 5 DCBDMN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])C[NH+]1CCOCC1 ZINC000179510860 199047432 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CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000264976720 204319131 /nfs/dbraw/zinc/31/91/31/204319131.db2.gz ZJEUSPDDRLDRHZ-NSHDSACASA-N 0 1 308.338 0.276 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)c1[N+](=O)[O-] ZINC000273795669 211065396 /nfs/dbraw/zinc/06/53/96/211065396.db2.gz XTLJQSOJORGWMN-SECBINFHSA-N 0 1 322.325 0.302 20 5 DCBDMN CN(C)CC(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000051760886 183836127 /nfs/dbraw/zinc/83/61/27/183836127.db2.gz PIFAYXXCGYDCHC-UHFFFAOYSA-N 0 1 306.366 0.801 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-][C@H](C)CC[NH+](C)C)c([N+](=O)[O-])n1 ZINC000339047586 253025020 /nfs/dbraw/zinc/02/50/20/253025020.db2.gz HPWFTGWALRQJEC-SECBINFHSA-N 0 1 319.387 0.430 20 5 DCBDMN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[NH2+]C1 ZINC000123230115 285117613 /nfs/dbraw/zinc/11/76/13/285117613.db2.gz USAOHYXYCWSKQI-MRVPVSSYSA-N 0 1 305.743 0.888 20 5 DCBDMN COC(=O)c1cn(CCNCc2csc([N+](=O)[O-])c2)nn1 ZINC000284218033 131060044 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0.984 20 5 DCBDMN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C)C1=O ZINC000273334666 395914128 /nfs/dbraw/zinc/91/41/28/395914128.db2.gz MOVWVNADNNXNIF-DGCLKSJQSA-N 0 1 323.349 0.497 20 5 DCBDMN COc1cc(S(=O)(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000136439818 395947019 /nfs/dbraw/zinc/94/70/19/395947019.db2.gz LGSRQMDWKWCNHR-UHFFFAOYSA-N 0 1 303.340 0.443 20 5 DCBDMN COC(=O)[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H](C)O ZINC000274482747 395951845 /nfs/dbraw/zinc/95/18/45/395951845.db2.gz MXBRFABCXHZHCW-LDWIPMOCSA-N 0 1 322.277 0.123 20 5 DCBDMN C[C@H]1CO[C@@H](CO)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000154075594 396030477 /nfs/dbraw/zinc/03/04/77/396030477.db2.gz GMMLUSUMNKAKIP-WCBMZHEXSA-N 0 1 320.305 0.693 20 5 DCBDMN Cc1n[nH]c(C(=O)N(C)[C@@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000279406908 396172484 /nfs/dbraw/zinc/17/24/84/396172484.db2.gz WOSSUTJSSSTVFB-VIFPVBQESA-N 0 1 311.342 0.419 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CC(=O)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000279550478 396182551 /nfs/dbraw/zinc/18/25/51/396182551.db2.gz JGDLMELWVZULIP-UHFFFAOYSA-N 0 1 307.310 0.675 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCCC[C@H]2CNC(N)=O)c1[N+](=O)[O-] ZINC000264232746 396264008 /nfs/dbraw/zinc/26/40/08/396264008.db2.gz WUWZSOHOEKVTAH-QMMMGPOBSA-N 0 1 310.314 0.289 20 5 DCBDMN COC[C@@H](CCO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000269198405 396393603 /nfs/dbraw/zinc/39/36/03/396393603.db2.gz LNTVNVYHGWPEQO-MRVPVSSYSA-N 0 1 308.294 0.598 20 5 DCBDMN Cc1noc(CN2CCN([C@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000595304795 396583960 /nfs/dbraw/zinc/58/39/60/396583960.db2.gz CNGRXNSKVBMPGZ-NWDGAFQWSA-N 0 1 310.354 0.922 20 5 DCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cn3ccccc3n2)c1 ZINC000581602795 396567621 /nfs/dbraw/zinc/56/76/21/396567621.db2.gz REBSSXKEIFXCMP-CYBMUJFWSA-N 0 1 316.321 0.590 20 5 DCBDMN CN(C)CC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293530029 396615172 /nfs/dbraw/zinc/61/51/72/396615172.db2.gz UXUKAMPBSMQZDM-UHFFFAOYSA-N 0 1 324.381 0.914 20 5 DCBDMN CN(CCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-])CC[NH+](C)C ZINC000293530029 396615174 /nfs/dbraw/zinc/61/51/74/396615174.db2.gz UXUKAMPBSMQZDM-UHFFFAOYSA-N 0 1 324.381 0.914 20 5 DCBDMN C[C@H](NCCS(=O)(=O)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294312303 396667244 /nfs/dbraw/zinc/66/72/44/396667244.db2.gz NYGRZNRTBBNENQ-VIFPVBQESA-N 0 1 316.383 0.719 20 5 DCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000562560737 396670272 /nfs/dbraw/zinc/67/02/72/396670272.db2.gz PWWBLOBFZQYXAX-NSHDSACASA-N 0 1 310.354 0.510 20 5 DCBDMN CC(C)OC[C@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000595914558 396681930 /nfs/dbraw/zinc/68/19/30/396681930.db2.gz BVTQGEPPAGZRHD-ZDUSSCGKSA-N 0 1 310.354 0.875 20 5 DCBDMN O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000295554414 396701022 /nfs/dbraw/zinc/70/10/22/396701022.db2.gz TWVGSNCSGBUVBF-GFCCVEGCSA-N 0 1 323.349 0.877 20 5 DCBDMN Cc1n[nH]c(C(=O)N2CCN([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000610723753 396755991 /nfs/dbraw/zinc/75/59/91/396755991.db2.gz LGGIEGOUDOTUIB-JTQLQIEISA-N 0 1 309.326 0.173 20 5 DCBDMN CC[C@H](CO)[NH+]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000563716755 396772393 /nfs/dbraw/zinc/77/23/93/396772393.db2.gz NIILZZYSGLKHHK-SNVBAGLBSA-N 0 1 324.337 0.581 20 5 DCBDMN O=C(N[C@H]1CC[C@](O)(C(F)(F)F)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000590426597 396775830 /nfs/dbraw/zinc/77/58/30/396775830.db2.gz IVRNFIHLGOMDOW-SSDLBLMSSA-N 0 1 308.216 0.894 20 5 DCBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000611535665 396883792 /nfs/dbraw/zinc/88/37/92/396883792.db2.gz DCOLKSWMEDWFSY-ZANVPECISA-N 0 1 309.322 0.749 20 5 DCBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000611535665 396883796 /nfs/dbraw/zinc/88/37/96/396883796.db2.gz DCOLKSWMEDWFSY-ZANVPECISA-N 0 1 309.322 0.749 20 5 DCBDMN C[C@@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CCN1 ZINC000591374630 396912281 /nfs/dbraw/zinc/91/22/81/396912281.db2.gz QAKXKNGTMYIEGS-SNVBAGLBSA-N 0 1 306.322 0.031 20 5 DCBDMN Cc1cc(C(=O)NCC(=O)NCc2c[nH]nn2)ccc1[N+](=O)[O-] ZINC000611845940 396937542 /nfs/dbraw/zinc/93/75/42/396937542.db2.gz XDLXFDCZQHDNFJ-UHFFFAOYSA-N 0 1 318.293 0.068 20 5 DCBDMN COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@H](O)C1 ZINC000600808670 396948219 /nfs/dbraw/zinc/94/82/19/396948219.db2.gz OTRMUOYKYAIPHE-NSHDSACASA-N 0 1 309.322 0.400 20 5 DCBDMN C[C@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000571540000 396962682 /nfs/dbraw/zinc/96/26/82/396962682.db2.gz SLJZKOAOQNQCRI-QWRGUYRKSA-N 0 1 320.349 0.420 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c1[N+](=O)[O-] ZINC000377319470 397066086 /nfs/dbraw/zinc/06/60/86/397066086.db2.gz DMLXVMWWVCQRJZ-PSASIEDQSA-N 0 1 321.337 0.621 20 5 DCBDMN COC(=O)[C@@H]1C[C@@H](O)CN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000592206265 397129331 /nfs/dbraw/zinc/12/93/31/397129331.db2.gz YMOIWOUCJQLPNB-VXGBXAGGSA-N 0 1 324.333 0.829 20 5 DCBDMN C[C@@H](CCCC[NH3+])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000592389708 397167535 /nfs/dbraw/zinc/16/75/35/397167535.db2.gz VDRUZKOPZQDBNE-VIFPVBQESA-N 0 1 302.356 0.786 20 5 DCBDMN COC(=O)C[C@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000386217989 397286865 /nfs/dbraw/zinc/28/68/65/397286865.db2.gz NROUIDFVRCMRAF-ZETCQYMHSA-N 0 1 320.298 0.964 20 5 DCBDMN O=C1CC[C@@H](CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)N1 ZINC000593018057 397313183 /nfs/dbraw/zinc/31/31/83/397313183.db2.gz JUBNSCLLULPICY-QWRGUYRKSA-N 0 1 305.338 0.755 20 5 DCBDMN Nc1nc(N)[nH+]c(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000599084274 397332481 /nfs/dbraw/zinc/33/24/81/397332481.db2.gz QWMBJSLGTIXRRF-SNVBAGLBSA-N 0 1 315.337 0.989 20 5 DCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](n2cncn2)C1 ZINC000614456426 397443405 /nfs/dbraw/zinc/44/34/05/397443405.db2.gz FUPSSHSWUQMPRT-JTQLQIEISA-N 0 1 303.278 0.979 20 5 DCBDMN CCN1C[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1=O ZINC000593825590 397450544 /nfs/dbraw/zinc/45/05/44/397450544.db2.gz JEARPAANLWLKCX-VIFPVBQESA-N 0 1 307.306 0.899 20 5 DCBDMN CCOC(=O)c1c[nH]c(NC(=O)c2nn(CC)cc2[N+](=O)[O-])n1 ZINC000593900817 397470443 /nfs/dbraw/zinc/47/04/43/397470443.db2.gz FJLGZOQZGFFVFQ-UHFFFAOYSA-N 0 1 322.281 0.963 20 5 DCBDMN COC(=O)C[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000579709105 397589321 /nfs/dbraw/zinc/58/93/21/397589321.db2.gz WIHZHBCTNPKXHP-LBPRGKRZSA-N 0 1 307.306 0.370 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](N3CCCC3=O)C2)c1[N+](=O)[O-] ZINC000408338973 160088064 /nfs/dbraw/zinc/08/80/64/160088064.db2.gz NRHFPYIWUAPRPZ-SECBINFHSA-N 0 1 307.310 0.463 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCCN(C(=O)C3CC3)CC2)c1[N+](=O)[O-] ZINC000408438289 160107789 /nfs/dbraw/zinc/10/77/89/160107789.db2.gz HCDFKUNRDCKREI-UHFFFAOYSA-N 0 1 321.337 0.711 20 5 DCBDMN C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@H](C)C1 ZINC000253355644 287121514 /nfs/dbraw/zinc/12/15/14/287121514.db2.gz UIWVSQZISBOOGD-MNOVXSKESA-N 0 1 323.349 0.828 20 5 DCBDMN C[C@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@H](C)C1 ZINC000253355644 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Cc1nc(N(C)CCCNC(=O)c2cnn[nH]2)ccc1[N+](=O)[O-] ZINC001095778477 775664355 /nfs/dbraw/zinc/66/43/55/775664355.db2.gz CDCJYHOCUQLSTB-UHFFFAOYSA-N 0 1 319.325 0.673 20 5 DCBDMN Cc1cc([N+](=O)[O-])cnc1N(C)CCCNC(=O)c1cnn[nH]1 ZINC001095778831 775665007 /nfs/dbraw/zinc/66/50/07/775665007.db2.gz QAZIWUCPPLBJGB-UHFFFAOYSA-N 0 1 319.325 0.673 20 5 DCBDMN C[C@H](C[NH+]1CCOCC1)Oc1ncc([N+](=O)[O-])c2[n-]cnc21 ZINC001227692785 775998616 /nfs/dbraw/zinc/99/86/16/775998616.db2.gz DAABKZCLUJGOHC-SECBINFHSA-N 0 1 307.310 0.966 20 5 DCBDMN O=C(NCCN(Cc1ccc(F)cn1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001267326701 939426199 /nfs/dbraw/zinc/42/61/99/939426199.db2.gz ZEGTWVOQZHGVKD-ZIAGYGMSSA-N 0 1 322.340 0.967 20 5 DCBDMN CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cccnc1 ZINC001267341422 939429171 /nfs/dbraw/zinc/42/91/71/939429171.db2.gz SMECLQSPIRBJIU-UHFFFAOYSA-N 0 1 318.337 0.585 20 5 DCBDMN CC(=O)N(C)CC(=O)N(C)CCNCc1ccccc1[N+](=O)[O-] ZINC001481208135 939627582 /nfs/dbraw/zinc/62/75/82/939627582.db2.gz 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DCBDMN NC(=O)Cn1cc(CNCCc2cccc([N+](=O)[O-])c2)nn1 ZINC001560426520 1012450287 /nfs/dbraw/zinc/45/02/87/1012450287.db2.gz NPYPQCWUEWFDIT-UHFFFAOYSA-N 0 1 304.310 0.004 20 5 DCBDMN CCc1nc([C@@H]2C[C@@H](O)CN2CCn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC001460956065 1012992727 /nfs/dbraw/zinc/99/27/27/1012992727.db2.gz OGBKKLKTGNKLGJ-ZJUUUORDSA-N 0 1 321.341 0.280 20 5 DCBDMN CNC(=O)COc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1 ZINC001519518598 1017215761 /nfs/dbraw/zinc/21/57/61/1017215761.db2.gz JMBXFAWFAADQDY-ZYHUDNBSSA-N 0 1 307.306 0.724 20 5 DCBDMN CC(C)c1cc(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])[nH]n1 ZINC001496014178 1018968434 /nfs/dbraw/zinc/96/84/34/1018968434.db2.gz ZMRIWJBVRNTEAD-BXKDBHETSA-N 0 1 323.353 0.387 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1ccc(C)o1 ZINC001496739719 1019598105 /nfs/dbraw/zinc/59/81/05/1019598105.db2.gz NUNXSLMXBPVLQR-CHWSQXEVSA-N 0 1 323.349 0.760 20 5 DCBDMN COC[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000278749660 214374500 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O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC[C@H]1CCC[NH2+]C1 ZINC000567470914 291356999 /nfs/dbraw/zinc/35/69/99/291356999.db2.gz VMUPNXZMGXFDON-SNVBAGLBSA-N 0 1 314.367 0.658 20 5 DCBDMN NC(=O)[C@@H]1CC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000456886444 240940978 /nfs/dbraw/zinc/94/09/78/240940978.db2.gz NIZMIWBWJFTFQD-SFYZADRCSA-N 0 1 317.305 0.855 20 5 DCBDMN CSc1n[nH]c(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000340268736 253228421 /nfs/dbraw/zinc/22/84/21/253228421.db2.gz QAANXMUMDPSILJ-UHFFFAOYSA-N 0 1 310.295 0.235 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000299557749 533659834 /nfs/dbraw/zinc/65/98/34/533659834.db2.gz SJRJYPGFCASXGU-UHFFFAOYSA-N 0 1 323.353 0.957 20 5 DCBDMN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1COC[C@H]1O ZINC000285746667 131198747 /nfs/dbraw/zinc/19/87/47/131198747.db2.gz YKADUNYRCRJETJ-IACUBPJLSA-N 0 1 312.322 0.026 20 5 DCBDMN NC(=O)N[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000270790330 395808676 /nfs/dbraw/zinc/80/86/76/395808676.db2.gz UYRWFCASQKDCHE-ZETCQYMHSA-N 0 1 318.293 0.354 20 5 DCBDMN CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000271242040 395850438 /nfs/dbraw/zinc/85/04/38/395850438.db2.gz FHNBYAFETWRSHD-NSHDSACASA-N 0 1 308.338 0.276 20 5 DCBDMN O=C(NC1(CO)CCOCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000272437263 395891637 /nfs/dbraw/zinc/89/16/37/395891637.db2.gz RZCKMWBJRSQFKS-UHFFFAOYSA-N 0 1 320.305 0.742 20 5 DCBDMN C[C@H](CN(C)C(=O)c1cccc([N+](=O)[O-])c1N)c1nn[nH]n1 ZINC000273458037 395923431 /nfs/dbraw/zinc/92/34/31/395923431.db2.gz DWILVVVXOMYVIB-SSDOTTSWSA-N 0 1 305.298 0.566 20 5 DCBDMN CN(C)C(=O)[C@H]1CCCN1CCCNc1ncc([N+](=O)[O-])cn1 ZINC000273620306 395934633 /nfs/dbraw/zinc/93/46/33/395934633.db2.gz ONHUOAJBOMHWIN-GFCCVEGCSA-N 0 1 322.369 0.739 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCC[C@]23CCOC3=O)c1[N+](=O)[O-] ZINC000277888338 396092950 /nfs/dbraw/zinc/09/29/50/396092950.db2.gz FJQVRAYDBDTFRY-CYBMUJFWSA-N 0 1 308.294 0.802 20 5 DCBDMN CN1CCN(CCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000170920172 396101450 /nfs/dbraw/zinc/10/14/50/396101450.db2.gz MUFIREIGPCVBAN-UHFFFAOYSA-N 0 1 321.381 0.370 20 5 DCBDMN O=C(C[C@@H]1COCCN1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000262333244 396125263 /nfs/dbraw/zinc/12/52/63/396125263.db2.gz DWGROQMHXKSLCW-CYBMUJFWSA-N 0 1 305.334 0.858 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[S@](=O)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000278614815 396135050 /nfs/dbraw/zinc/13/50/50/396135050.db2.gz OHHFUMBYLOZETJ-PXMPENCTSA-N 0 1 314.367 0.862 20 5 DCBDMN Cc1[nH]ncc1CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000076431838 396204042 /nfs/dbraw/zinc/20/40/42/396204042.db2.gz YXXSMUVFZCTAGB-UHFFFAOYSA-N 0 1 306.326 0.962 20 5 DCBDMN C[C@H](CN(C)C(=O)COc1ccc([N+](=O)[O-])cc1)c1nn[nH]n1 ZINC000183402421 396268924 /nfs/dbraw/zinc/26/89/24/396268924.db2.gz QEZOLQGODCDQLW-SECBINFHSA-N 0 1 320.309 0.749 20 5 DCBDMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000264443306 396280359 /nfs/dbraw/zinc/28/03/59/396280359.db2.gz OGSSCFJXILRSGM-LBPRGKRZSA-N 0 1 306.366 0.961 20 5 DCBDMN CCOC(=O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000264619174 396296134 /nfs/dbraw/zinc/29/61/34/396296134.db2.gz NECSECSKSLRDCB-UHFFFAOYSA-N 0 1 306.271 0.575 20 5 DCBDMN C[C@@]1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCS(=O)(=O)C1 ZINC000269102074 396385787 /nfs/dbraw/zinc/38/57/87/396385787.db2.gz AEAZPBLXTZMWLQ-GFCCVEGCSA-N 0 1 314.319 0.607 20 5 DCBDMN CNC(=O)[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000269211887 396395219 /nfs/dbraw/zinc/39/52/19/396395219.db2.gz WOEQXAZWMMTLLF-SECBINFHSA-N 0 1 307.306 0.899 20 5 DCBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000372748798 396543410 /nfs/dbraw/zinc/54/34/10/396543410.db2.gz LFQSLHDWIVFYME-SUHUHFCYSA-N 0 1 320.349 0.342 20 5 DCBDMN C[N@@H+]1CC[C@@]2(CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)C1 ZINC000293957065 396644335 /nfs/dbraw/zinc/64/43/35/396644335.db2.gz SRAIAONPHFRIFD-CQSZACIVSA-N 0 1 306.322 0.863 20 5 DCBDMN C[N@H+]1CC[C@@]2(CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)C1 ZINC000293957065 396644337 /nfs/dbraw/zinc/64/43/37/396644337.db2.gz SRAIAONPHFRIFD-CQSZACIVSA-N 0 1 306.322 0.863 20 5 DCBDMN CCCN1CC[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000595353759 396594295 /nfs/dbraw/zinc/59/42/95/396594295.db2.gz KDVDJLHIPRJWAY-SNVBAGLBSA-N 0 1 314.367 0.752 20 5 DCBDMN O=C([O-])[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000582425807 396609839 /nfs/dbraw/zinc/60/98/39/396609839.db2.gz OSGIVTJCQIDROP-DGCLKSJQSA-N 0 1 310.306 0.884 20 5 DCBDMN O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000295554415 396701174 /nfs/dbraw/zinc/70/11/74/396701174.db2.gz TWVGSNCSGBUVBF-LBPRGKRZSA-N 0 1 323.349 0.877 20 5 DCBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCN1CC[C@@H](O)C1 ZINC000600537337 396887401 /nfs/dbraw/zinc/88/74/01/396887401.db2.gz ZTOZNSFJPGHMKH-LLVKDONJSA-N 0 1 323.349 0.790 20 5 DCBDMN COc1ccc(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])nc1 ZINC000618180518 396917154 /nfs/dbraw/zinc/91/71/54/396917154.db2.gz APHPHTFZFLFIIO-UHFFFAOYSA-N 0 1 324.318 0.872 20 5 DCBDMN CN(C)C1(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000597752751 397089135 /nfs/dbraw/zinc/08/91/35/397089135.db2.gz GTHFNNMCOKOFCG-UHFFFAOYSA-N 0 1 319.365 0.733 20 5 DCBDMN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CCN(C)C ZINC000619488980 397137834 /nfs/dbraw/zinc/13/78/34/397137834.db2.gz VJZZZJSSSRGVAL-UHFFFAOYSA-N 0 1 317.367 0.786 20 5 DCBDMN COC(=O)[C@H]1CNCCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000592552683 397212236 /nfs/dbraw/zinc/21/22/36/397212236.db2.gz GKYJREOXSCWAEO-LLVKDONJSA-N 0 1 322.321 0.154 20 5 DCBDMN COC(=O)[C@H]1CNCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000592555603 397213623 /nfs/dbraw/zinc/21/36/23/397213623.db2.gz XTFFWBCGRXZXML-SECBINFHSA-N 0 1 313.335 0.633 20 5 DCBDMN COC[C@](C)(O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000382539618 397273523 /nfs/dbraw/zinc/27/35/23/397273523.db2.gz AITKPXZIQIMSCL-LLVKDONJSA-N 0 1 322.314 0.410 20 5 DCBDMN CNc1c(C(=O)N(C)Cc2n[nH]c(=O)o2)cccc1[N+](=O)[O-] ZINC000598744695 397288466 /nfs/dbraw/zinc/28/84/66/397288466.db2.gz IUFUWCLRWUUBSV-UHFFFAOYSA-N 0 1 307.266 0.997 20 5 DCBDMN CCCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592828308 397259273 /nfs/dbraw/zinc/25/92/73/397259273.db2.gz GFKGERIDWHPEMM-GFCCVEGCSA-N 0 1 322.365 0.699 20 5 DCBDMN CN(CCN1CCCCC1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000593882405 397466919 /nfs/dbraw/zinc/46/69/19/397466919.db2.gz FZGNJFVPIQLEBY-UHFFFAOYSA-N 0 1 322.365 0.701 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CCN3C(=O)OC[C@H]3C2)c1[N+](=O)[O-] ZINC000370557856 397502299 /nfs/dbraw/zinc/50/22/99/397502299.db2.gz PVJCTAXMCUTOTH-MRVPVSSYSA-N 0 1 323.309 0.547 20 5 DCBDMN COc1ccc(NC(=O)NCCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599770600 397524664 /nfs/dbraw/zinc/52/46/64/397524664.db2.gz OSYPSASZGVCLCO-NSHDSACASA-N 0 1 324.337 0.792 20 5 DCBDMN CC(C)C[N@H+](CC(=O)[O-])C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579722029 397590346 /nfs/dbraw/zinc/59/03/46/397590346.db2.gz FIBADVVIKYRQTK-NSHDSACASA-N 0 1 300.315 0.195 20 5 DCBDMN Cc1ncc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[nH]1 ZINC000609548052 397781057 /nfs/dbraw/zinc/78/10/57/397781057.db2.gz NKDLPLOWSXGZJM-UHFFFAOYSA-N 0 1 316.321 0.984 20 5 DCBDMN CCCc1[nH]nc(C(=O)N(CC)CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000609988603 397799418 /nfs/dbraw/zinc/79/94/18/397799418.db2.gz OEJVRXJZUQOKMI-UHFFFAOYSA-N 0 1 311.342 0.821 20 5 DCBDMN O=[N+]([O-])c1ccccc1CS(=O)(=O)NCCc1nc[nH]n1 ZINC000080624041 158081156 /nfs/dbraw/zinc/08/11/56/158081156.db2.gz YQXGPPNLOYWDKQ-UHFFFAOYSA-N 0 1 311.323 0.375 20 5 DCBDMN O=[N+]([O-])c1ccc(CS(=O)(=O)NCCc2nc[nH]n2)cc1 ZINC000080640751 158081332 /nfs/dbraw/zinc/08/13/32/158081332.db2.gz VKVVONHDFCCCRW-UHFFFAOYSA-N 0 1 311.323 0.375 20 5 DCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000408159529 160049869 /nfs/dbraw/zinc/04/98/69/160049869.db2.gz QETWXHFIZQJQLX-ZJUUUORDSA-N 0 1 305.290 0.794 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](CNC(C)=O)C2)c1[N+](=O)[O-] ZINC000354162709 415777745 /nfs/dbraw/zinc/77/77/45/415777745.db2.gz MGONBWXDFHOTCA-JTQLQIEISA-N 0 1 323.353 0.869 20 5 DCBDMN CC(C)(C)[C@H]1NC(=O)CC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343978500 415807268 /nfs/dbraw/zinc/80/72/68/415807268.db2.gz PUALFBVTQNNBTK-CPCISQLKSA-N 0 1 309.326 0.741 20 5 DCBDMN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000356738564 415980307 /nfs/dbraw/zinc/98/03/07/415980307.db2.gz MUINSLXKRCTYFC-LLVKDONJSA-N 0 1 323.353 0.123 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@](F)(CO)C2)c1[N+](=O)[O-] ZINC000338736263 416131830 /nfs/dbraw/zinc/13/18/30/416131830.db2.gz IMVMAPRXRTWESB-LBPRGKRZSA-N 0 1 300.290 0.988 20 5 DCBDMN CCN1C[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000345967335 416177078 /nfs/dbraw/zinc/17/70/78/416177078.db2.gz SAVVFXMKRWJVOR-RYUDHWBXSA-N 0 1 322.365 0.698 20 5 DCBDMN C[C@H](C[S@@](C)=O)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000183209442 416238077 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234285974 /nfs/dbraw/zinc/28/59/74/234285974.db2.gz DFOVEIUESSCHIA-ZYHUDNBSSA-N 0 1 323.353 0.356 20 5 DCBDMN CCCc1[nH]nc(C(=O)N(CC)CC(=O)NCC)c1[N+](=O)[O-] ZINC000159018501 291233558 /nfs/dbraw/zinc/23/35/58/291233558.db2.gz YMPLBGGUEDMSQH-UHFFFAOYSA-N 0 1 311.342 0.869 20 5 DCBDMN CNC(=O)c1cccc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000163519385 291246561 /nfs/dbraw/zinc/24/65/61/291246561.db2.gz ATGXUDHNNIKWPA-UHFFFAOYSA-N 0 1 317.305 0.650 20 5 DCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000425286203 240333692 /nfs/dbraw/zinc/33/36/92/240333692.db2.gz AKGOPIHYKQJMHA-SSDOTTSWSA-N 0 1 322.281 0.437 20 5 DCBDMN NC(=O)c1[nH]nnc1NC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000493800524 241160690 /nfs/dbraw/zinc/16/06/90/241160690.db2.gz BBWAXSZRVYIFMV-WAYWQWQTSA-N 0 1 302.250 0.464 20 5 DCBDMN Cc1n[nH]c(C(=O)N[C@@H](CO)CN2CCCCC2)c1[N+](=O)[O-] ZINC000288574863 220251110 /nfs/dbraw/zinc/25/11/10/220251110.db2.gz RDHCIPWARDAENB-SNVBAGLBSA-N 0 1 311.342 0.203 20 5 DCBDMN COC(=O)c1cnc(NCCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000039956590 183024590 /nfs/dbraw/zinc/02/45/90/183024590.db2.gz QIVGRQYPWZKBMN-UHFFFAOYSA-N 0 1 323.353 0.436 20 5 DCBDMN CN1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C(C)(C)C1=O ZINC000273882541 211140932 /nfs/dbraw/zinc/14/09/32/211140932.db2.gz RLPBBXDDZIPSJZ-UHFFFAOYSA-N 0 1 307.306 0.993 20 5 DCBDMN O=C1NC(=O)[C@]2(CCCN(Cc3ccccc3[N+](=O)[O-])C2)N1 ZINC000192682312 296359040 /nfs/dbraw/zinc/35/90/40/296359040.db2.gz RBXWWTVCHGHUJU-CQSZACIVSA-N 0 1 304.306 0.769 20 5 DCBDMN CN1CC[C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000347025248 254122580 /nfs/dbraw/zinc/12/25/80/254122580.db2.gz OUTHVXQOLJSVOK-LBPRGKRZSA-N 0 1 313.379 0.761 20 5 DCBDMN C[C@@H](CO)N1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000347248077 254142092 /nfs/dbraw/zinc/14/20/92/254142092.db2.gz XHYUAFXLMSSIAV-JTQLQIEISA-N 0 1 323.353 0.101 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2nncn2C)c1[N+](=O)[O-] ZINC000348750838 254251747 /nfs/dbraw/zinc/25/17/47/254251747.db2.gz PYHLCIDTIYBVKB-MRVPVSSYSA-N 0 1 305.298 0.732 20 5 DCBDMN C[C@H](NCC(=O)N1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294776506 224214485 /nfs/dbraw/zinc/21/44/85/224214485.db2.gz NMFYTFFBZFFLBS-JTQLQIEISA-N 0 1 308.338 0.686 20 5 DCBDMN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC(CN2CCOCC2)CC1 ZINC000285108431 131138374 /nfs/dbraw/zinc/13/83/74/131138374.db2.gz MKAAXBUFAAUVKQ-UHFFFAOYSA-N 0 1 323.353 0.502 20 5 DCBDMN CC(C)S(=O)(=O)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000290635615 131505706 /nfs/dbraw/zinc/50/57/06/131505706.db2.gz MEDHVFRWXDMPTJ-UHFFFAOYSA-N 0 1 316.335 0.853 20 5 DCBDMN O=C(CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC1 ZINC000044653598 395757698 /nfs/dbraw/zinc/75/76/98/395757698.db2.gz NRLBFNGBZRBANQ-UHFFFAOYSA-N 0 1 317.305 0.823 20 5 DCBDMN Cc1n[nH]c(C(=O)N2CCN(c3ncccn3)CC2)c1[N+](=O)[O-] ZINC000064334535 395986298 /nfs/dbraw/zinc/98/62/98/395986298.db2.gz VBYUKGUNRQSXDP-UHFFFAOYSA-N 0 1 317.309 0.379 20 5 DCBDMN Cc1nnnn1-c1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1F ZINC000068681694 396061738 /nfs/dbraw/zinc/06/17/38/396061738.db2.gz AUSYCNCLNUXFRJ-PSASIEDQSA-N 0 1 306.257 0.714 20 5 DCBDMN CCc1[nH]nc(C(=O)N(C)CC(=O)N(CC)CC)c1[N+](=O)[O-] ZINC000171368612 396115529 /nfs/dbraw/zinc/11/55/29/396115529.db2.gz NYOBINVCTUFKKO-UHFFFAOYSA-N 0 1 311.342 0.821 20 5 DCBDMN COC[C@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000262322435 396123902 /nfs/dbraw/zinc/12/39/02/396123902.db2.gz RHSVJMTUXXULKE-ZDUSSCGKSA-N 0 1 308.338 0.217 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CC[S@@](=O)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000076661832 396207128 /nfs/dbraw/zinc/20/71/28/396207128.db2.gz JZEAVEHGXLBJKS-VQXVYSPMSA-N 0 1 300.340 0.608 20 5 DCBDMN CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000282342959 396282941 /nfs/dbraw/zinc/28/29/41/396282941.db2.gz MHXGWDBPKSPYBT-YPMHNXCESA-N 0 1 323.349 0.545 20 5 DCBDMN C[C@H](CN1CCN(C)CC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000264443304 396280170 /nfs/dbraw/zinc/28/01/70/396280170.db2.gz OGSSCFJXILRSGM-GFCCVEGCSA-N 0 1 306.366 0.961 20 5 DCBDMN Cc1n[nH]c(C(=O)N2CCC[C@@H]2CN2CCOCC2)c1[N+](=O)[O-] ZINC000080919337 396289071 /nfs/dbraw/zinc/28/90/71/396289071.db2.gz FLJGGSQWKOMKKG-LLVKDONJSA-N 0 1 323.353 0.563 20 5 DCBDMN COC[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000184516499 396297888 /nfs/dbraw/zinc/29/78/88/396297888.db2.gz XVUPLJYMZCKFBH-RYUDHWBXSA-N 0 1 310.310 0.723 20 5 DCBDMN Cc1ccc(C(=O)NC[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000264643034 396298949 /nfs/dbraw/zinc/29/89/49/396298949.db2.gz FHTLWBSARCDEDL-CYBMUJFWSA-N 0 1 306.366 0.879 20 5 DCBDMN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1=O ZINC000265667661 396335709 /nfs/dbraw/zinc/33/57/09/396335709.db2.gz WESGASPFBIJTDK-TZMCWYRMSA-N 0 1 323.349 0.497 20 5 DCBDMN COc1c(F)cc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000186179030 396343759 /nfs/dbraw/zinc/34/37/59/396343759.db2.gz VZJSHOGFMLNYPW-UHFFFAOYSA-N 0 1 321.330 0.582 20 5 DCBDMN C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000186785315 396357809 /nfs/dbraw/zinc/35/78/09/396357809.db2.gz SDEDTPUIJCYTGQ-SNVBAGLBSA-N 0 1 309.322 0.439 20 5 DCBDMN Cc1cc(C[C@H](C)NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n[nH]1 ZINC000269051762 396383000 /nfs/dbraw/zinc/38/30/00/396383000.db2.gz NOSTYNCMUMPKIC-VIFPVBQESA-N 0 1 319.321 0.535 20 5 DCBDMN O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269130262 396387734 /nfs/dbraw/zinc/38/77/34/396387734.db2.gz KXUWWNYFJQOPNJ-QMMMGPOBSA-N 0 1 300.292 0.217 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-][C@@H](C)CCC[NH3+])c([N+](=O)[O-])n1 ZINC000580713649 396494751 /nfs/dbraw/zinc/49/47/51/396494751.db2.gz BTXDAXUOZZOUIG-QMMMGPOBSA-N 0 1 305.360 0.217 20 5 DCBDMN O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000293628760 396621784 /nfs/dbraw/zinc/62/17/84/396621784.db2.gz NCKMGZOMCUAFLL-LLVKDONJSA-N 0 1 324.337 0.272 20 5 DCBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC(=O)N1CCNCC1 ZINC000563490893 396742346 /nfs/dbraw/zinc/74/23/46/396742346.db2.gz ZBMOWULKUIHSJP-UHFFFAOYSA-N 0 1 321.337 0.457 20 5 DCBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H](CO)[C@H](O)C1 ZINC000617852721 396842864 /nfs/dbraw/zinc/84/28/64/396842864.db2.gz JHIBYMQVMAUYQN-PRHODGIISA-N 0 1 320.305 0.286 20 5 DCBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H](CO)[C@H](O)C1 ZINC000617852722 396842951 /nfs/dbraw/zinc/84/29/51/396842951.db2.gz JHIBYMQVMAUYQN-QPUJVOFHSA-N 0 1 320.305 0.286 20 5 DCBDMN COC(=O)C[C@H](O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600466474 396857822 /nfs/dbraw/zinc/85/78/22/396857822.db2.gz YBXQDIQXFKMDLP-QMMMGPOBSA-N 0 1 322.277 0.125 20 5 DCBDMN CCCc1n[nH]c(C(=O)NCCN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600537198 396887416 /nfs/dbraw/zinc/88/74/16/396887416.db2.gz YZKDOTCNYZECMU-SECBINFHSA-N 0 1 311.342 0.067 20 5 DCBDMN CCCc1n[n-]c(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600537198 396887422 /nfs/dbraw/zinc/88/74/22/396887422.db2.gz YZKDOTCNYZECMU-SECBINFHSA-N 0 1 311.342 0.067 20 5 DCBDMN CCCc1n[n-]c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600537198 396887425 /nfs/dbraw/zinc/88/74/25/396887425.db2.gz YZKDOTCNYZECMU-SECBINFHSA-N 0 1 311.342 0.067 20 5 DCBDMN Cc1cc(OCC(=O)NCCN2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000600809203 396947820 /nfs/dbraw/zinc/94/78/20/396947820.db2.gz WEYWUMNLXRXYKZ-LBPRGKRZSA-N 0 1 323.349 0.465 20 5 DCBDMN O=C([O-])c1ccnc(NC[C@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC000572725701 397088627 /nfs/dbraw/zinc/08/86/27/397088627.db2.gz YFSJSPRQGHHJKN-SNVBAGLBSA-N 0 1 324.337 0.947 20 5 DCBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN1CCCCC1 ZINC000573075189 397129691 /nfs/dbraw/zinc/12/96/91/397129691.db2.gz JBHAGPOZRAORSR-NSHDSACASA-N 0 1 310.354 0.510 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])n1 ZINC000592367239 397161447 /nfs/dbraw/zinc/16/14/47/397161447.db2.gz MORWKFPKQMDNGA-VIFPVBQESA-N 0 1 317.371 0.232 20 5 DCBDMN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCC[NH2+]CC1 ZINC000592386848 397166555 /nfs/dbraw/zinc/16/65/55/397166555.db2.gz JHDIMNKXPVYIQK-VIFPVBQESA-N 0 1 300.340 0.410 20 5 DCBDMN NC(=O)c1ccccc1N1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000377639720 397117121 /nfs/dbraw/zinc/11/71/21/397117121.db2.gz KKCPSZOQICXZMI-UFGOTCBOSA-N 0 1 318.333 0.146 20 5 DCBDMN CCOC(=O)c1nnc(NC(=O)c2c[nH]nc2[N+](=O)[O-])s1 ZINC000619790499 397192432 /nfs/dbraw/zinc/19/24/32/397192432.db2.gz SMVFWVXIJHBBPR-UHFFFAOYSA-N 0 1 312.267 0.598 20 5 DCBDMN O=C1CCOC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000599442565 397442823 /nfs/dbraw/zinc/44/28/23/397442823.db2.gz WBZKYZRTYMKSOP-MRVPVSSYSA-N 0 1 318.282 0.370 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000578948116 397504281 /nfs/dbraw/zinc/50/42/81/397504281.db2.gz NRGVRRXWRASQBP-WPRPVWTQSA-N 0 1 312.326 0.086 20 5 DCBDMN C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C[C@@H]2C1 ZINC000579424876 397565027 /nfs/dbraw/zinc/56/50/27/397565027.db2.gz JGJYTXCLKFYIOU-AOOOYVTPSA-N 0 1 312.351 0.172 20 5 DCBDMN CCn1cc(S(=O)(=O)NC2CCN(C)CC2)c([N+](=O)[O-])n1 ZINC000330449596 159174851 /nfs/dbraw/zinc/17/48/51/159174851.db2.gz IAFYAJBVPVRCGY-UHFFFAOYSA-N 0 1 317.371 0.184 20 5 DCBDMN NC(=O)Nc1cccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000138033461 287029148 /nfs/dbraw/zinc/02/91/48/287029148.db2.gz LTIRNDWXYODRTP-UHFFFAOYSA-N 0 1 304.266 0.739 20 5 DCBDMN CCN1CCN([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)CC1 ZINC000332099956 415242056 /nfs/dbraw/zinc/24/20/56/415242056.db2.gz CSBABYXVTMINPY-LBPRGKRZSA-N 0 1 321.381 0.775 20 5 DCBDMN O=C(Nc1n[nH]c(-c2ccccn2)n1)c1n[nH]cc1[N+](=O)[O-] ZINC000343154914 415478126 /nfs/dbraw/zinc/47/81/26/415478126.db2.gz LWYAXLZRGPLEBI-UHFFFAOYSA-N 0 1 300.238 0.750 20 5 DCBDMN CCC[C@@H](NC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1nn[nH]n1 ZINC000343749527 415708864 /nfs/dbraw/zinc/70/88/64/415708864.db2.gz QMNISTROUUWYDZ-SSDOTTSWSA-N 0 1 308.302 0.421 20 5 DCBDMN CCCc1[nH]nc(C(=O)N(C)Cc2nnnn2C)c1[N+](=O)[O-] ZINC000343801354 415734919 /nfs/dbraw/zinc/73/49/19/415734919.db2.gz WRVDYDDENJWWOP-UHFFFAOYSA-N 0 1 308.302 0.066 20 5 DCBDMN CCn1cc(CN(CCO)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])cn1 ZINC000357403586 416074123 /nfs/dbraw/zinc/07/41/23/416074123.db2.gz CEJSKNRRRUCDEG-UHFFFAOYSA-N 0 1 322.325 0.477 20 5 DCBDMN CN1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000357474583 416086478 /nfs/dbraw/zinc/08/64/78/416086478.db2.gz YDGVTLLLTUKRLL-UHFFFAOYSA-N 0 1 324.356 0.640 20 5 DCBDMN COC(=O)[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000338372788 416086520 /nfs/dbraw/zinc/08/65/20/416086520.db2.gz ISEXFLLAFGPBTQ-XPUUQOCRSA-N 0 1 312.282 0.029 20 5 DCBDMN C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000415567045 416347740 /nfs/dbraw/zinc/34/77/40/416347740.db2.gz PXWDZANDZWPFMK-NXEZZACHSA-N 0 1 306.322 0.742 20 5 DCBDMN COC(=O)C[C@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000423170953 416473125 /nfs/dbraw/zinc/47/31/25/416473125.db2.gz ZBUKBCKBEJSQFV-ZDUSSCGKSA-N 0 1 323.349 0.924 20 5 DCBDMN Cc1[nH]nc(C(=O)N(CCO)Cc2cccnc2)c1[N+](=O)[O-] ZINC000434905703 416504471 /nfs/dbraw/zinc/50/44/71/416504471.db2.gz KIKCBRPYYMKMGX-UHFFFAOYSA-N 0 1 305.294 0.656 20 5 DCBDMN Cc1c(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])cnn1C ZINC000535331290 416518760 /nfs/dbraw/zinc/51/87/60/416518760.db2.gz DVVJBVPOSQTLMP-UHFFFAOYSA-N 0 1 311.323 0.510 20 5 DCBDMN Nc1nc(NC[C@H]2CCN2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000596559143 416584669 /nfs/dbraw/zinc/58/46/69/416584669.db2.gz XHBYOKZLOJAKBV-GFCCVEGCSA-N 0 1 314.349 1.075 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])n1 ZINC000440808762 416649051 /nfs/dbraw/zinc/64/90/51/416649051.db2.gz LDOUSFTVMLSURW-RKDXNWHRSA-N 0 1 317.371 0.088 20 5 DCBDMN C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nnc[nH]1 ZINC000441368978 416669869 /nfs/dbraw/zinc/66/98/69/416669869.db2.gz LSYIKFQVLGWPCT-SSDOTTSWSA-N 0 1 304.266 0.529 20 5 DCBDMN C[C@H]1CC(=O)NCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000369441468 416776243 /nfs/dbraw/zinc/77/62/43/416776243.db2.gz ULFKYDQIHLIRFZ-AAEUAGOBSA-N 0 1 323.349 0.545 20 5 DCBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H](O)C(F)F)cc1 ZINC000518770471 416873813 /nfs/dbraw/zinc/87/38/13/416873813.db2.gz UXZWGJWYPOZCQQ-JTQLQIEISA-N 0 1 324.305 0.584 20 5 DCBDMN CCCN(CC(N)=O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000429159914 416950301 /nfs/dbraw/zinc/95/03/01/416950301.db2.gz FZXWGUNZHYGIKV-NSHDSACASA-N 0 1 311.338 0.532 20 5 DCBDMN NS(=O)(=O)c1cc(NCCc2nc[nH]n2)cc([N+](=O)[O-])c1 ZINC000433424759 417268076 /nfs/dbraw/zinc/26/80/76/417268076.db2.gz UJWQNSFSHUWGIB-UHFFFAOYSA-N 0 1 312.311 0.015 20 5 DCBDMN COc1cc(S(=O)(=O)NC[C@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000451926131 417416320 /nfs/dbraw/zinc/41/63/20/417416320.db2.gz HUXWRUNAULUZCR-VIFPVBQESA-N 0 1 317.367 0.832 20 5 DCBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451622855 417367174 /nfs/dbraw/zinc/36/71/74/417367174.db2.gz HJSNARKQAQBZHO-PHIMTYICSA-N 0 1 305.290 0.308 20 5 DCBDMN CNc1nccc(C(=O)N2CC[C@H](c3nc[nH]n3)C2)c1[N+](=O)[O-] ZINC000574292193 417481713 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DCBDMN CC(F)(F)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001739840322 1187858188 /nfs/dbraw/zinc/85/81/88/1187858188.db2.gz DSDFKGLCTMESPH-UTINFBMNSA-N 0 1 319.308 0.708 20 5 DCBDMN Cc1occc1C(=O)N(C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001743456956 1188135361 /nfs/dbraw/zinc/13/53/61/1188135361.db2.gz WUYCMEKQECJXMA-VXGBXAGGSA-N 0 1 309.322 0.832 20 5 DCBDMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)nc1 ZINC001758144146 1189751175 /nfs/dbraw/zinc/75/11/75/1189751175.db2.gz ILNDWBGUMXICPA-NXEZZACHSA-N 0 1 310.285 0.122 20 5 DCBDMN CC(C)SCC(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001758929325 1190040178 /nfs/dbraw/zinc/04/01/78/1190040178.db2.gz PJOVOJGHSRXFQL-NXEZZACHSA-N 0 1 303.384 0.368 20 5 DCBDMN CCN(CCNC(=O)c1cscn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001758993025 1190060432 /nfs/dbraw/zinc/06/04/32/1190060432.db2.gz GXDWKEMJOSEZRT-PSASIEDQSA-N 0 1 312.351 0.387 20 5 DCBDMN O=C(CCCC(F)(F)F)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001759191649 1190116426 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CCc1[nH]nc(C(=O)N2CCC[C@H]2c2nc[nH]n2)c1[N+](=O)[O-] ZINC001167527396 747355788 /nfs/dbraw/zinc/35/57/88/747355788.db2.gz OMFFBGBZUZYFBP-QMMMGPOBSA-N 0 1 305.298 0.976 20 5 DCBDMN CN(CCN(C)c1ncccc1[N+](=O)[O-])C(=O)c1ccn[nH]1 ZINC001105339120 748217396 /nfs/dbraw/zinc/21/73/96/748217396.db2.gz KJPIUKFPZLEXBU-UHFFFAOYSA-N 0 1 304.310 0.921 20 5 DCBDMN Cn1nncc1C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001126535538 748958171 /nfs/dbraw/zinc/95/81/71/748958171.db2.gz OBLYBHXDUNQHMJ-UHFFFAOYSA-N 0 1 310.339 0.304 20 5 DCBDMN O=C(N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1)c1cnn[nH]1 ZINC001059459063 749199762 /nfs/dbraw/zinc/19/97/62/749199762.db2.gz ZTLDFUCIKORKIR-ZKCHVHJHSA-N 0 1 303.282 0.481 20 5 DCBDMN Cn1cnc(C(=O)NCCNCc2ccccc2[N+](=O)[O-])n1 ZINC001126677953 749596240 /nfs/dbraw/zinc/59/62/40/749596240.db2.gz JKGPIKAPEDIYNH-UHFFFAOYSA-N 0 1 304.310 0.243 20 5 DCBDMN CNC(=O)NCCC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001126693363 749611847 /nfs/dbraw/zinc/61/18/47/749611847.db2.gz VKEMCMCWPLCGLB-UHFFFAOYSA-N 0 1 323.353 0.120 20 5 DCBDMN Cc1nn[nH]c1C(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001105514950 749856509 /nfs/dbraw/zinc/85/65/09/749856509.db2.gz LOAFQNQMIDLPOS-UHFFFAOYSA-N 0 1 319.325 0.625 20 5 DCBDMN O=C(NC[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1)c1cnn[nH]1 ZINC001046650972 753850313 /nfs/dbraw/zinc/85/03/13/753850313.db2.gz PYALXTSJCDEXEW-DTORHVGOSA-N 0 1 317.309 0.728 20 5 DCBDMN CC(=O)NCCN(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001055072032 756717922 /nfs/dbraw/zinc/71/79/22/756717922.db2.gz GRVAREPUSGPFKT-ZIAGYGMSSA-N 0 1 305.334 0.817 20 5 DCBDMN C[C@H]1CN2CCN1C[C@@H]2C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001123493960 767986826 /nfs/dbraw/zinc/98/68/26/767986826.db2.gz CXYDIPOVQTYHPT-SWLSCSKDSA-N 0 1 318.377 0.942 20 5 DCBDMN CCN1CCN(C2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 ZINC001123965132 768086816 /nfs/dbraw/zinc/08/68/16/768086816.db2.gz RTHPQVJJOHVVSU-UHFFFAOYSA-N 0 1 307.354 0.385 20 5 DCBDMN CCN(CCNC(=O)Cc1nnc[nH]1)c1ccccc1[N+](=O)[O-] ZINC001100611519 763681320 /nfs/dbraw/zinc/68/13/20/763681320.db2.gz DMBGHWQZYWTAOL-UHFFFAOYSA-N 0 1 318.337 0.898 20 5 DCBDMN CCN(CCNC(=O)c1cnn[nH]1)c1ncccc1[N+](=O)[O-] ZINC001100762836 763769916 /nfs/dbraw/zinc/76/99/16/763769916.db2.gz SCGITBBPXSHGSI-UHFFFAOYSA-N 0 1 305.298 0.364 20 5 DCBDMN Cc1nn[nH]c1C(=O)N(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC001101885994 764399118 /nfs/dbraw/zinc/39/91/18/764399118.db2.gz ZOTIVIKEBIXQNS-UHFFFAOYSA-N 0 1 305.298 0.600 20 5 DCBDMN CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)CCc1c[nH]nn1 ZINC001101960210 764454743 /nfs/dbraw/zinc/45/47/43/764454743.db2.gz HALQSYXNNUQDDQ-UHFFFAOYSA-N 0 1 319.325 0.611 20 5 DCBDMN CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)CCc1cnn[nH]1 ZINC001101960210 764454751 /nfs/dbraw/zinc/45/47/51/764454751.db2.gz HALQSYXNNUQDDQ-UHFFFAOYSA-N 0 1 319.325 0.611 20 5 DCBDMN COC(=O)[C@H](CC1CCOCC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001132921256 764732045 /nfs/dbraw/zinc/73/20/45/764732045.db2.gz LQCGYNPXXOKROR-OUAUKWLOSA-N 0 1 300.311 0.126 20 5 DCBDMN CSCc1n[nH]c(CNC(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC001133640387 765062776 /nfs/dbraw/zinc/06/27/76/765062776.db2.gz LCYFPPCCGMUQLQ-UHFFFAOYSA-N 0 1 308.323 0.901 20 5 DCBDMN CSCc1nnc(CNC(=O)c2ccc([N+](=O)[O-])cn2)[nH]1 ZINC001133640387 765062780 /nfs/dbraw/zinc/06/27/80/765062780.db2.gz LCYFPPCCGMUQLQ-UHFFFAOYSA-N 0 1 308.323 0.901 20 5 DCBDMN O=C(NCC1(Nc2ccc([N+](=O)[O-])cn2)CCC1)c1ncn[nH]1 ZINC001111831052 765401481 /nfs/dbraw/zinc/40/14/81/765401481.db2.gz OHTRCXSCTMQJLJ-UHFFFAOYSA-N 0 1 317.309 0.873 20 5 DCBDMN O=C(NCC1(Nc2ccc([N+](=O)[O-])cn2)CCC1)c1nc[nH]n1 ZINC001111831052 765401485 /nfs/dbraw/zinc/40/14/85/765401485.db2.gz OHTRCXSCTMQJLJ-UHFFFAOYSA-N 0 1 317.309 0.873 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCc3nc[nH]c(=O)c3C2)c1[N+](=O)[O-] ZINC001116882500 765923376 /nfs/dbraw/zinc/92/33/76/765923376.db2.gz BFNIRQXLVXUWJF-UHFFFAOYSA-N 0 1 304.266 0.320 20 5 DCBDMN O=C(Cc1cnc[nH]1)NCCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001094807818 769303132 /nfs/dbraw/zinc/30/31/32/769303132.db2.gz DFXYPZLUDJMNCW-UHFFFAOYSA-N 0 1 320.309 0.579 20 5 DCBDMN Cc1cc(C(=O)NCC(=O)NC[C@@H]2CCN2C)ccc1[N+](=O)[O-] ZINC001178455793 770758184 /nfs/dbraw/zinc/75/81/84/770758184.db2.gz LIVRNGXQQWEOFX-LBPRGKRZSA-N 0 1 320.349 0.453 20 5 DCBDMN Cc1ncc(CN)c(=N)n1-c1ncnc2cccc([N+](=O)[O-])c21 ZINC001156831462 770937300 /nfs/dbraw/zinc/93/73/00/770937300.db2.gz XHOZPZDMAFZKPX-UHFFFAOYSA-N 0 1 311.305 0.970 20 5 DCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3[nH]ncc3N)C2)n1 ZINC001159310388 771894572 /nfs/dbraw/zinc/89/45/72/771894572.db2.gz GHRALKQJAXMPAI-MRVPVSSYSA-N 0 1 319.325 0.746 20 5 DCBDMN Cc1cc(NC2(CNC(=O)c3cnn[nH]3)CC2)ncc1[N+](=O)[O-] ZINC001110395905 772216026 /nfs/dbraw/zinc/21/60/26/772216026.db2.gz CTHLAMIEVMNJRA-UHFFFAOYSA-N 0 1 317.309 0.791 20 5 DCBDMN COc1ncc([N+](=O)[O-])cc1NCc1nnc2n1CCCNC2 ZINC001163017787 772444511 /nfs/dbraw/zinc/44/45/11/772444511.db2.gz WBPJGBIZTQSQEP-UHFFFAOYSA-N 0 1 319.325 0.695 20 5 DCBDMN COC(=O)[C@@H]1CNCCN1c1nc(C)cc(Cl)c1[N+](=O)[O-] ZINC001165436494 772737144 /nfs/dbraw/zinc/73/71/44/772737144.db2.gz JAYSJHDHYSANPR-VIFPVBQESA-N 0 1 314.729 0.903 20 5 DCBDMN CCOC(=O)C1=C(O)CCCN1c1nc(C)ncc1[N+](=O)[O-] ZINC001166730209 772853315 /nfs/dbraw/zinc/85/33/15/772853315.db2.gz CUAJWRSXMNMQHZ-LLVKDONJSA-N 0 1 308.294 0.794 20 5 DCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCCN2C)n1 ZINC001195688351 773456792 /nfs/dbraw/zinc/45/67/92/773456792.db2.gz JVCFCVCOZHKKDN-SECBINFHSA-N 0 1 317.371 0.091 20 5 DCBDMN CNC(=O)NC(=O)CCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196908465 773666742 /nfs/dbraw/zinc/66/67/42/773666742.db2.gz QQKOJCCLVHXPJU-AWEZNQCLSA-N 0 1 324.337 0.238 20 5 DCBDMN COC[C@H]1C[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC001213552603 773860314 /nfs/dbraw/zinc/86/03/14/773860314.db2.gz AVULPIFIRUIIBQ-DTORHVGOSA-N 0 1 301.324 0.693 20 5 DCBDMN COC(=O)[C@H](CCO)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001218218273 774217698 /nfs/dbraw/zinc/21/76/98/774217698.db2.gz FBTBLNDQRHGNSC-JTQLQIEISA-N 0 1 323.261 0.546 20 5 DCBDMN Cc1cnc(N(C)CCCNC(=O)c2cnn[nH]2)c([N+](=O)[O-])c1 ZINC001095779038 775664312 /nfs/dbraw/zinc/66/43/12/775664312.db2.gz WNBQGRAFSXZPCT-UHFFFAOYSA-N 0 1 319.325 0.673 20 5 DCBDMN COC(=O)c1cc(=O)[nH]c(O[C@@H](C[N+](=O)[O-])c2cccnc2)n1 ZINC001225729546 775710734 /nfs/dbraw/zinc/71/07/34/775710734.db2.gz ALTXKUUGXOGBGS-JTQLQIEISA-N 0 1 320.261 0.761 20 5 DCBDMN Cc1[nH]ccc1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067129951 776856673 /nfs/dbraw/zinc/85/66/73/776856673.db2.gz JOKPDWHLNUCGIW-CHWSQXEVSA-N 0 1 322.365 0.909 20 5 DCBDMN CN(CCNCc1ccccc1[N+](=O)[O-])C(=O)Cc1nnc[nH]1 ZINC001317647878 945141188 /nfs/dbraw/zinc/14/11/88/945141188.db2.gz ALWXFYITWBLOOQ-UHFFFAOYSA-N 0 1 318.337 0.504 20 5 DCBDMN CN(CCNCc1csc([N+](=O)[O-])c1)C(=O)c1ncn(C)n1 ZINC001481227391 939654923 /nfs/dbraw/zinc/65/49/23/939654923.db2.gz SDAPYQBZFZWARE-UHFFFAOYSA-N 0 1 324.366 0.647 20 5 DCBDMN NC(=O)CC(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC001269388366 940697008 /nfs/dbraw/zinc/69/70/08/940697008.db2.gz KYYOSTPCXHJBAZ-UHFFFAOYSA-N 0 1 306.322 0.209 20 5 DCBDMN CCOCC(=O)N(C)CC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001280371467 941285175 /nfs/dbraw/zinc/28/51/75/941285175.db2.gz WXUXXUMZPMXRKX-GHMZBOCLSA-N 0 1 315.370 0.289 20 5 DCBDMN CC(C)n1cc(CN(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001272013639 941518745 /nfs/dbraw/zinc/51/87/45/941518745.db2.gz ORLKPLGUSHOIGE-CHWSQXEVSA-N 0 1 324.385 0.414 20 5 DCBDMN O=C(NCCNCC[N+](=O)[O-])c1ccc(Br)cn1 ZINC001262577260 947731667 /nfs/dbraw/zinc/73/16/67/947731667.db2.gz LXBCXHHFGLWKBF-UHFFFAOYSA-N 0 1 317.143 0.440 20 5 DCBDMN O=C(CCc1c[nH]nn1)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001094129519 947779699 /nfs/dbraw/zinc/77/96/99/947779699.db2.gz DJDVNMRHADVCTQ-UHFFFAOYSA-N 0 1 305.298 0.269 20 5 DCBDMN O=C(CCc1cnn[nH]1)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001094129519 947779706 /nfs/dbraw/zinc/77/97/06/947779706.db2.gz DJDVNMRHADVCTQ-UHFFFAOYSA-N 0 1 305.298 0.269 20 5 DCBDMN Cc1cc(NCCNC(=O)CCc2c[nH]nn2)ncc1[N+](=O)[O-] ZINC001094130380 947780727 /nfs/dbraw/zinc/78/07/27/947780727.db2.gz VHDBWFZFDGWEKA-UHFFFAOYSA-N 0 1 319.325 0.577 20 5 DCBDMN Cc1cc(NCCNC(=O)CCc2cnn[nH]2)ncc1[N+](=O)[O-] ZINC001094130380 947780741 /nfs/dbraw/zinc/78/07/41/947780741.db2.gz VHDBWFZFDGWEKA-UHFFFAOYSA-N 0 1 319.325 0.577 20 5 DCBDMN CC(C)(C)C(=O)NCCOCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001487623448 948135211 /nfs/dbraw/zinc/13/52/11/948135211.db2.gz KEAKIHDVVBGJBT-GHMZBOCLSA-N 0 1 315.370 0.337 20 5 DCBDMN O=C(NCCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccon1 ZINC001489051065 949480969 /nfs/dbraw/zinc/48/09/69/949480969.db2.gz AAGSJKLHCWXLLY-MWLCHTKSSA-N 0 1 322.321 0.356 20 5 DCBDMN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nnc2n1CCC2 ZINC001331962856 951411825 /nfs/dbraw/zinc/41/18/25/951411825.db2.gz NTABIHJOSSFRFE-KOLCDFICSA-N 0 1 321.341 0.041 20 5 DCBDMN CC(=O)NC[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC001338156325 952972748 /nfs/dbraw/zinc/97/27/48/952972748.db2.gz DFDLOJNKGKSGCF-JTQLQIEISA-N 0 1 309.326 0.615 20 5 DCBDMN C[C@H]1CN2CCN1C[C@H]2C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001346296511 953848723 /nfs/dbraw/zinc/84/87/23/953848723.db2.gz NDMSUSNWIXKDMM-FZMZJTMJSA-N 0 1 304.350 0.599 20 5 DCBDMN C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001346567638 953919778 /nfs/dbraw/zinc/91/97/78/953919778.db2.gz YSWUQINAUIJPHZ-IAQYHMDHSA-N 0 1 316.361 0.825 20 5 DCBDMN CC(C)SCC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001348166069 954214336 /nfs/dbraw/zinc/21/43/36/954214336.db2.gz MLSXVLGYUHIVTQ-GHMZBOCLSA-N 0 1 315.395 0.464 20 5 DCBDMN CCCn1nccc1C(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284535091 955162348 /nfs/dbraw/zinc/16/23/48/955162348.db2.gz OWZWZYBUPBKLIL-ZYHUDNBSSA-N 0 1 323.353 0.147 20 5 DCBDMN Cc1c(C(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])ccn1C ZINC001355885808 956739409 /nfs/dbraw/zinc/73/94/09/956739409.db2.gz LNEOUJKUVSKTIU-VXGBXAGGSA-N 0 1 308.338 0.187 20 5 DCBDMN CCN(CCNC(=O)Cc1cccnc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001356023115 956760902 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NC(=O)c1cc(N2CCN(CCCO)CC2)ccc1[N+](=O)[O-] ZINC000596097001 396716701 /nfs/dbraw/zinc/71/67/01/396716701.db2.gz BPYJXIUOHYECHR-UHFFFAOYSA-N 0 1 308.338 0.198 20 5 DCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2nccn2C(F)F)c1 ZINC000563952284 396797946 /nfs/dbraw/zinc/79/79/46/396797946.db2.gz DRSYGWWQHIVIOL-SECBINFHSA-N 0 1 316.268 0.534 20 5 DCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C[C@H]2CCCO2)CC1 ZINC000611442800 396866209 /nfs/dbraw/zinc/86/62/09/396866209.db2.gz BMRZCUQKGOXVCO-CQSZACIVSA-N 0 1 323.397 0.896 20 5 DCBDMN Cc1cc(C(=O)NCC(=O)N2CCNCC2)cc([N+](=O)[O-])c1 ZINC000317538323 396803518 /nfs/dbraw/zinc/80/35/18/396803518.db2.gz KFLBWPHUMJLNQY-UHFFFAOYSA-N 0 1 306.322 0.065 20 5 DCBDMN CN(C)C(=O)CCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000564096190 396809504 /nfs/dbraw/zinc/80/95/04/396809504.db2.gz HGJNAYBSGLSAOK-UHFFFAOYSA-N 0 1 321.381 0.980 20 5 DCBDMN C[C@@H]1C[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2nccn21 ZINC000564205560 396814843 /nfs/dbraw/zinc/81/48/43/396814843.db2.gz ZLQAMNCZGJJUHQ-USWWRNFRSA-N 0 1 306.326 0.644 20 5 DCBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1C[N@H+](C)CCO1 ZINC000611535664 396883093 /nfs/dbraw/zinc/88/30/93/396883093.db2.gz DCOLKSWMEDWFSY-TVQRCGJNSA-N 0 1 309.322 0.749 20 5 DCBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000611535664 396883095 /nfs/dbraw/zinc/88/30/95/396883095.db2.gz DCOLKSWMEDWFSY-TVQRCGJNSA-N 0 1 309.322 0.749 20 5 DCBDMN COc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CC[C@H](O)C1 ZINC000600808126 396946632 /nfs/dbraw/zinc/94/66/32/396946632.db2.gz IYFABBWWGMNMQU-NSHDSACASA-N 0 1 309.322 0.400 20 5 DCBDMN CN(C)C[C@@H](CO)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597652942 397044738 /nfs/dbraw/zinc/04/47/38/397044738.db2.gz GHYMSDWBOAJHAS-LBPRGKRZSA-N 0 1 323.349 0.596 20 5 DCBDMN CCOC(=O)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(F)(F)F ZINC000598045312 397163469 /nfs/dbraw/zinc/16/34/69/397163469.db2.gz AUZMFQCCYFGVAB-ZCFIWIBFSA-N 0 1 324.215 0.932 20 5 DCBDMN COCc1n[nH]c(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000598051181 397165607 /nfs/dbraw/zinc/16/56/07/397165607.db2.gz RKMAYMJHPCMXCT-UHFFFAOYSA-N 0 1 307.266 0.495 20 5 DCBDMN O=C(NC[C@H]1CCCNC1=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000619867437 397200665 /nfs/dbraw/zinc/20/06/65/397200665.db2.gz CNIHHCJTHYWOCY-MRVPVSSYSA-N 0 1 317.305 0.727 20 5 DCBDMN COC(=O)[C@@H]1CNCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000592547689 397207550 /nfs/dbraw/zinc/20/75/50/397207550.db2.gz JVYFYGGYTCVZLZ-ZDUSSCGKSA-N 0 1 321.333 0.501 20 5 DCBDMN C[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000598750465 397289354 /nfs/dbraw/zinc/28/93/54/397289354.db2.gz BUNHCMHCLSVKOA-UAXAAPNGSA-N 0 1 300.340 0.737 20 5 DCBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H](CO)CCF ZINC000593655938 397419409 /nfs/dbraw/zinc/41/94/09/397419409.db2.gz GOQIBHOASYYCKY-SSDOTTSWSA-N 0 1 310.278 0.733 20 5 DCBDMN O=C(c1csc([N+](=O)[O-])c1)N1CCN(Cc2nnc[nH]2)CC1 ZINC000593858441 397458769 /nfs/dbraw/zinc/45/87/69/397458769.db2.gz HCHAULOBFILXDG-UHFFFAOYSA-N 0 1 322.350 0.732 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](CO)[C@H](O)C2)c1[N+](=O)[O-] ZINC000578948115 397503825 /nfs/dbraw/zinc/50/38/25/397503825.db2.gz NRGVRRXWRASQBP-WCBMZHEXSA-N 0 1 312.326 0.086 20 5 DCBDMN O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000599937655 397545446 /nfs/dbraw/zinc/54/54/46/397545446.db2.gz HUKAUPDYFIYOPC-DGCLKSJQSA-N 0 1 321.333 0.582 20 5 DCBDMN COC[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])OC ZINC000315103152 159001187 /nfs/dbraw/zinc/00/11/87/159001187.db2.gz HNHSRTIGVGWLEP-MRVPVSSYSA-N 0 1 322.314 0.674 20 5 DCBDMN CC(=O)N1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C(C)(C)C1 ZINC000408103433 160036481 /nfs/dbraw/zinc/03/64/81/160036481.db2.gz MOOGPSCIZSMVLF-UHFFFAOYSA-N 0 1 309.326 0.709 20 5 DCBDMN O=C(NCCC[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194739544 287062025 /nfs/dbraw/zinc/06/20/25/287062025.db2.gz CLGAUHZIWINQSA-UHFFFAOYSA-N 0 1 309.322 0.753 20 5 DCBDMN CCO[C@H]1COCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000362015502 287217218 /nfs/dbraw/zinc/21/72/18/287217218.db2.gz OHAXVGMUFVXXFS-OCCSQVGLSA-N 0 1 323.349 0.977 20 5 DCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C[C@H](C)c1nn[nH]n1 ZINC000352473224 415188352 /nfs/dbraw/zinc/18/83/52/415188352.db2.gz QYLYUWODFGTGPY-QMMMGPOBSA-N 0 1 322.329 0.265 20 5 DCBDMN CC(C)c1nc([C@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000342990588 415395895 /nfs/dbraw/zinc/39/58/95/415395895.db2.gz YPNVTEQJOYKIHN-QMMMGPOBSA-N 0 1 307.314 0.910 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])n1 ZINC000424361902 287305453 /nfs/dbraw/zinc/30/54/53/287305453.db2.gz KLUVRMDVYNHJFJ-RKDXNWHRSA-N 0 1 317.371 0.359 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-]CC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])n1 ZINC000353213892 415477349 /nfs/dbraw/zinc/47/73/49/415477349.db2.gz DJEOEQOAEMRPQQ-VIFPVBQESA-N 0 1 317.371 0.089 20 5 DCBDMN Cc1n[nH]c(C(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000281657376 415563209 /nfs/dbraw/zinc/56/32/09/415563209.db2.gz RZDVCQADRQGPNU-IUCAKERBSA-N 0 1 311.342 0.153 20 5 DCBDMN CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1nn[nH]n1 ZINC000353839995 415673932 /nfs/dbraw/zinc/67/39/32/415673932.db2.gz CGHKLWIBGIHPSG-MRVPVSSYSA-N 0 1 306.286 0.356 20 5 DCBDMN NC(=O)c1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC000356767425 415982899 /nfs/dbraw/zinc/98/28/99/415982899.db2.gz KMQSBZRTJMJWPM-UHFFFAOYSA-N 0 1 316.273 0.724 20 5 DCBDMN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000337296485 415938334 /nfs/dbraw/zinc/93/83/34/415938334.db2.gz JNSSGGJMIQRUMK-GFCCVEGCSA-N 0 1 306.322 0.744 20 5 DCBDMN Cc1nc([C@@H]2CCCCN2c2ncc([N+](=O)[O-])c(N)n2)n[nH]1 ZINC000337824722 416013090 /nfs/dbraw/zinc/01/30/90/416013090.db2.gz SHGWBIMGRDKQFR-QMMMGPOBSA-N 0 1 304.314 1.125 20 5 DCBDMN COCCC[N@@H+](C)CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164762765 416018636 /nfs/dbraw/zinc/01/86/36/416018636.db2.gz MVAIZHXRJKBWFP-UHFFFAOYSA-N 0 1 311.338 0.999 20 5 DCBDMN C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1nnc[nH]1 ZINC000183201726 416238243 /nfs/dbraw/zinc/23/82/43/416238243.db2.gz TYCBZWUBIHHRSB-MRVPVSSYSA-N 0 1 311.323 0.894 20 5 DCBDMN Cc1[nH]nc(C(=O)N(C)[C@@H](C)CS(C)(=O)=O)c1[N+](=O)[O-] ZINC000351832622 416282845 /nfs/dbraw/zinc/28/28/45/416282845.db2.gz FVASTOVEMGBJJM-LURJTMIESA-N 0 1 304.328 0.131 20 5 DCBDMN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCNCC1 ZINC000237886496 416328902 /nfs/dbraw/zinc/32/89/02/416328902.db2.gz CKKOIKLELXUKRV-UHFFFAOYSA-N 0 1 301.306 0.826 20 5 DCBDMN CNc1nccc(C(=O)NCCN2CC=CCC2)c1[N+](=O)[O-] ZINC000594351514 416560423 /nfs/dbraw/zinc/56/04/23/416560423.db2.gz JMQMJKSLXSKAFB-UHFFFAOYSA-N 0 1 305.338 1.023 20 5 DCBDMN C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1nnc[nH]1 ZINC000540890870 416596966 /nfs/dbraw/zinc/59/69/66/416596966.db2.gz OKJXBURWVIQLLF-LURJTMIESA-N 0 1 305.250 0.933 20 5 DCBDMN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCNC[C@H]1c1ccccc1 ZINC000423995872 416602050 /nfs/dbraw/zinc/60/20/50/416602050.db2.gz JXPOAYQGDUOTHN-AWEZNQCLSA-N 0 1 315.333 0.964 20 5 DCBDMN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1c[nH]nn1 ZINC000610488626 416658574 /nfs/dbraw/zinc/65/85/74/416658574.db2.gz ZWNGWMWOPMIGLE-QMMMGPOBSA-N 0 1 318.293 0.148 20 5 DCBDMN CN1CC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1=O ZINC000424961013 416675730 /nfs/dbraw/zinc/67/57/30/416675730.db2.gz SHTGUAMWZAUPBM-VIFPVBQESA-N 0 1 307.306 0.899 20 5 DCBDMN C[C@H]1CNCCN1C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415340871 417367953 /nfs/dbraw/zinc/36/79/53/417367953.db2.gz FZDDTOQTQGDUAR-QMMMGPOBSA-N 0 1 310.285 0.493 20 5 DCBDMN O=C([O-])C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000576353047 417602130 /nfs/dbraw/zinc/60/21/30/417602130.db2.gz NZXUKGBVUVUSCY-NSHDSACASA-N 0 1 310.306 0.884 20 5 DCBDMN Cc1ccccc1C[C@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000190523650 261134300 /nfs/dbraw/zinc/13/43/00/261134300.db2.gz VFNLIAOUTOVHMV-LLVKDONJSA-N 0 1 304.306 0.960 20 5 DCBDMN CCN1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])nn3C)[C@H]2C1 ZINC000355317039 261329860 /nfs/dbraw/zinc/32/98/60/261329860.db2.gz KFTXCWBLBXEFOP-RYUDHWBXSA-N 0 1 323.353 0.264 20 5 DCBDMN O=C1CNCCN1[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000362686166 262060674 /nfs/dbraw/zinc/06/06/74/262060674.db2.gz UMWHDUDYCSQVLQ-OAHLLOKOSA-N 0 1 318.377 0.991 20 5 DCBDMN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000370855256 262154240 /nfs/dbraw/zinc/15/42/40/262154240.db2.gz IRWQUYNVOQOQEQ-SNVBAGLBSA-N 0 1 322.256 0.461 20 5 DCBDMN CNc1ccc(C(=O)NC[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000390003525 262160430 /nfs/dbraw/zinc/16/04/30/262160430.db2.gz KUIOCMJNYYVZNA-GFCCVEGCSA-N 0 1 321.381 0.612 20 5 DCBDMN CN(C)c1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cn1 ZINC000359401061 271115377 /nfs/dbraw/zinc/11/53/77/271115377.db2.gz CCTMSJNPPCHFFF-UHFFFAOYSA-N 0 1 323.334 0.674 20 5 DCBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1C[NH2+]CCC1(F)F ZINC000420445991 271371675 /nfs/dbraw/zinc/37/16/75/271371675.db2.gz NQTQZDMMVSTCGS-SNVBAGLBSA-N 0 1 321.305 0.870 20 5 DCBDMN CNC(=O)CN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000434677402 271539014 /nfs/dbraw/zinc/53/90/14/271539014.db2.gz XVRPTTBWHUDIPX-UHFFFAOYSA-N 0 1 324.337 0.610 20 5 DCBDMN CN1CCN(C)[C@@H](CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000491799796 272105635 /nfs/dbraw/zinc/10/56/35/272105635.db2.gz WMXSVSDAJHMCGQ-DANTVBBOSA-N 0 1 318.377 0.970 20 5 DCBDMN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000286629091 277246323 /nfs/dbraw/zinc/24/63/23/277246323.db2.gz PUALFBVTQNNBTK-RDDDGLTNSA-N 0 1 309.326 0.741 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]3C(=O)NC[C@@H]32)c1[N+](=O)[O-] ZINC000337111579 278000113 /nfs/dbraw/zinc/00/01/13/278000113.db2.gz DUDLGBIXXGOCBM-BDAKNGLRSA-N 0 1 321.337 0.792 20 5 DCBDMN COc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)Cn1cccn1 ZINC000565769680 288876419 /nfs/dbraw/zinc/87/64/19/288876419.db2.gz OXHDOJNNFYNHQV-CYBMUJFWSA-N 0 1 306.322 0.951 20 5 DCBDMN 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318.333 0.697 20 5 DCBDMN CC(C)N1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000343266694 253625385 /nfs/dbraw/zinc/62/53/85/253625385.db2.gz LTEYOGQWDKXPDB-UHFFFAOYSA-N 0 1 322.365 0.699 20 5 DCBDMN Cc1ccc(CN(C)CC(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC000347063245 254125820 /nfs/dbraw/zinc/12/58/20/254125820.db2.gz IZUITUPUWDRLML-UHFFFAOYSA-N 0 1 306.366 0.767 20 5 DCBDMN NC(=O)C1(O)CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000284426946 131080195 /nfs/dbraw/zinc/08/01/95/131080195.db2.gz YIKKRGAQHMCNKD-UHFFFAOYSA-N 0 1 309.322 0.286 20 5 DCBDMN Nc1nc(N2CCC[C@@H](c3n[nH]c(=O)o3)C2)ncc1[N+](=O)[O-] ZINC000285660134 131191046 /nfs/dbraw/zinc/19/10/46/131191046.db2.gz OSVWPACKMUEXHZ-ZCFIWIBFSA-N 0 1 307.270 0.027 20 5 DCBDMN O=C([C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1)N1CCNCC1 ZINC000031946542 395708899 /nfs/dbraw/zinc/70/88/99/395708899.db2.gz QTHPNYMOLMLLBA-GFCCVEGCSA-N 0 1 319.365 0.638 20 5 DCBDMN CN(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000042098120 395742684 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CCCc1n[nH]c(C(=O)NCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000265650466 396333714 /nfs/dbraw/zinc/33/37/14/396333714.db2.gz OGSPAJXSZOHYDC-UHFFFAOYSA-N 0 1 324.385 0.248 20 5 DCBDMN CC1CCN(CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000269653936 396432796 /nfs/dbraw/zinc/43/27/96/396432796.db2.gz UWHRDUOIHXNZDJ-UHFFFAOYSA-N 0 1 322.365 0.605 20 5 DCBDMN O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCc3cn[nH]n3)C2)nc1 ZINC000595374502 396597661 /nfs/dbraw/zinc/59/76/61/396597661.db2.gz CXMWXESMOPNESO-LLVKDONJSA-N 0 1 303.326 0.837 20 5 DCBDMN CCn1ccc(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])n1 ZINC000561099250 396630422 /nfs/dbraw/zinc/63/04/22/396630422.db2.gz CVUOPRIHGXPIOQ-UHFFFAOYSA-N 0 1 311.323 0.685 20 5 DCBDMN COC(=O)[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)OC ZINC000293883025 396639283 /nfs/dbraw/zinc/63/92/83/396639283.db2.gz DPDJCZAFPWRHRR-JTQLQIEISA-N 0 1 322.277 0.389 20 5 DCBDMN O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000295535637 396699805 /nfs/dbraw/zinc/69/98/05/396699805.db2.gz RRBBWNUVMWNNAC-LLVKDONJSA-N 0 1 324.337 0.272 20 5 DCBDMN O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000295535637 396699807 /nfs/dbraw/zinc/69/98/07/396699807.db2.gz RRBBWNUVMWNNAC-LLVKDONJSA-N 0 1 324.337 0.272 20 5 DCBDMN O=CN1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000294210798 396660538 /nfs/dbraw/zinc/66/05/38/396660538.db2.gz MOGXHCIQDXLART-CQSZACIVSA-N 0 1 323.349 0.499 20 5 DCBDMN O=C(NCC(=O)N1CCNCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000315688348 396791254 /nfs/dbraw/zinc/79/12/54/396791254.db2.gz BPORUKBSDORKAH-UHFFFAOYSA-N 0 1 307.310 0.148 20 5 DCBDMN C[C@@H]1COCCN1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000590386449 396768465 /nfs/dbraw/zinc/76/84/65/396768465.db2.gz ABWDNLWWVNRFIG-SNVBAGLBSA-N 0 1 323.353 0.643 20 5 DCBDMN CC[C@H]1CN(C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000563989404 396802318 /nfs/dbraw/zinc/80/23/18/396802318.db2.gz HWWVLAPOHXYFSV-NSHDSACASA-N 0 1 308.338 0.309 20 5 DCBDMN CCOc1ccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600528338 396883997 /nfs/dbraw/zinc/88/39/97/396883997.db2.gz RLQXXRDZDZUGPD-GFCCVEGCSA-N 0 1 323.349 0.790 20 5 DCBDMN CCOc1ccc(C(=O)NCCN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600528338 396884002 /nfs/dbraw/zinc/88/40/02/396884002.db2.gz RLQXXRDZDZUGPD-GFCCVEGCSA-N 0 1 323.349 0.790 20 5 DCBDMN O=C(NCCN1CC[C@H](O)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000600808229 396947503 /nfs/dbraw/zinc/94/75/03/396947503.db2.gz NBGMSRZPALQWAC-NSHDSACASA-N 0 1 318.333 0.873 20 5 DCBDMN COC(=O)COc1ccc(CN[C@H](C)C(N)=O)cc1[N+](=O)[O-] ZINC000618620012 397000246 /nfs/dbraw/zinc/00/02/46/397000246.db2.gz VNOYUZFNNWTEKS-MRVPVSSYSA-N 0 1 311.294 0.110 20 5 DCBDMN O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618375034 396973398 /nfs/dbraw/zinc/97/33/98/396973398.db2.gz ZUBZLGBJAKUSGB-LLVKDONJSA-N 0 1 306.322 0.910 20 5 DCBDMN O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618375034 396973404 /nfs/dbraw/zinc/97/34/04/396973404.db2.gz ZUBZLGBJAKUSGB-LLVKDONJSA-N 0 1 306.322 0.910 20 5 DCBDMN [NH3+][C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000592379949 397163672 /nfs/dbraw/zinc/16/36/72/397163672.db2.gz BTBOQOKDFOUBJU-IUCAKERBSA-N 0 1 300.340 0.538 20 5 DCBDMN [NH3+][C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000592379948 397164060 /nfs/dbraw/zinc/16/40/60/397164060.db2.gz BTBOQOKDFOUBJU-DTWKUNHWSA-N 0 1 300.340 0.538 20 5 DCBDMN CC1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000592386140 397166035 /nfs/dbraw/zinc/16/60/35/397166035.db2.gz VVUVWBWYGXMIDL-UHFFFAOYSA-N 0 1 314.367 0.658 20 5 DCBDMN Cc1cc(NC(=O)NCC(=O)N2CCNCC2)ccc1[N+](=O)[O-] ZINC000573665479 397192612 /nfs/dbraw/zinc/19/26/12/397192612.db2.gz BYFAPGOIEGMQIT-UHFFFAOYSA-N 0 1 321.337 0.457 20 5 DCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000619868321 397200838 /nfs/dbraw/zinc/20/08/38/397200838.db2.gz QVTWETHRHGGNSK-MRVPVSSYSA-N 0 1 322.281 0.286 20 5 DCBDMN COC(=O)[C@@H]1CNCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000592547701 397207818 /nfs/dbraw/zinc/20/78/18/397207818.db2.gz KDQOTIYREJIBAS-ZDUSSCGKSA-N 0 1 321.333 0.501 20 5 DCBDMN COC(=O)c1ccnc(NCCN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000598633485 397266401 /nfs/dbraw/zinc/26/64/01/397266401.db2.gz OYMHHHUNONFNHC-UHFFFAOYSA-N 0 1 324.337 0.645 20 5 DCBDMN O=C(COc1cccc([N+](=O)[O-])c1)NCCCc1nc[nH]n1 ZINC000387454704 397294556 /nfs/dbraw/zinc/29/45/56/397294556.db2.gz QXZARNGGMXLQPA-UHFFFAOYSA-N 0 1 305.294 0.841 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[S@](=O)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000365625361 397302999 /nfs/dbraw/zinc/30/29/99/397302999.db2.gz FJLYOPPHLNOOMX-HXNGOWOSSA-N 0 1 314.367 0.863 20 5 DCBDMN CC1(C)CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000592977151 397308900 /nfs/dbraw/zinc/30/89/00/397308900.db2.gz DYKIUDVYNWOCSS-UHFFFAOYSA-N 0 1 324.337 0.581 20 5 DCBDMN CC1(C)CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000592977151 397308905 /nfs/dbraw/zinc/30/89/05/397308905.db2.gz DYKIUDVYNWOCSS-UHFFFAOYSA-N 0 1 324.337 0.581 20 5 DCBDMN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN1C1CCCC1 ZINC000602125908 397310790 /nfs/dbraw/zinc/31/07/90/397310790.db2.gz SYYRSIXKRYHGAQ-ZDUSSCGKSA-N 0 1 307.354 0.924 20 5 DCBDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000593188436 397336997 /nfs/dbraw/zinc/33/69/97/397336997.db2.gz HFSFOCBOWUOVDK-IJLUTSLNSA-N 0 1 322.365 0.696 20 5 DCBDMN CC(C)[C@H]1CNCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000602530980 397432015 /nfs/dbraw/zinc/43/20/15/397432015.db2.gz UEVLCYPDYOQQTJ-LLVKDONJSA-N 0 1 308.338 0.213 20 5 DCBDMN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000578437123 397435830 /nfs/dbraw/zinc/43/58/30/397435830.db2.gz SHUJDQMNVZFAMA-ZCFIWIBFSA-N 0 1 308.254 0.426 20 5 DCBDMN CCN1C[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1=O ZINC000593825589 397450491 /nfs/dbraw/zinc/45/04/91/397450491.db2.gz JEARPAANLWLKCX-SECBINFHSA-N 0 1 307.306 0.899 20 5 DCBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1C[C@@H](O)C1 ZINC000599477692 397453543 /nfs/dbraw/zinc/45/35/43/397453543.db2.gz KXSBUQWZYLTABX-OCAPTIKFSA-N 0 1 304.299 0.783 20 5 DCBDMN O=C(NCC[C@]1(O)CCCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000593881504 397467160 /nfs/dbraw/zinc/46/71/60/397467160.db2.gz ICJLJAJHHWAION-CQSZACIVSA-N 0 1 310.306 0.962 20 5 DCBDMN CO[C@H]1CS(=O)(=O)C[C@@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000602706654 397468335 /nfs/dbraw/zinc/46/83/35/397468335.db2.gz GUZZHMBDANTLIG-STQMWFEESA-N 0 1 314.363 0.539 20 5 DCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](N2CCCC2=O)C1 ZINC000602799855 397488970 /nfs/dbraw/zinc/48/89/70/397488970.db2.gz QGCWPRQTIOILRK-GFCCVEGCSA-N 0 1 307.354 0.796 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)c1[N+](=O)[O-] ZINC000370557858 397501863 /nfs/dbraw/zinc/50/18/63/397501863.db2.gz PVJCTAXMCUTOTH-QMMMGPOBSA-N 0 1 323.309 0.547 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCN(C(=O)C3CC3)CC2)c1[N+](=O)[O-] ZINC000604545771 397643100 /nfs/dbraw/zinc/64/31/00/397643100.db2.gz CTNNHLUPIIDYOE-UHFFFAOYSA-N 0 1 307.310 0.321 20 5 DCBDMN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1nn[nH]n1 ZINC000609493717 397777333 /nfs/dbraw/zinc/77/73/33/397777333.db2.gz WRCIIHAWLCFXSQ-UHFFFAOYSA-N 0 1 305.298 0.616 20 5 DCBDMN CC[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CCN1C[C@@H](C)O ZINC000114709512 158156179 /nfs/dbraw/zinc/15/61/79/158156179.db2.gz FWYBITBQPLIYHG-ZYHUDNBSSA-N 0 1 311.386 0.918 20 5 DCBDMN O=C(NCCS(=O)(=O)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000119561890 158189350 /nfs/dbraw/zinc/18/93/50/158189350.db2.gz JSJKRINXIZWFFU-UHFFFAOYSA-N 0 1 324.318 0.522 20 5 DCBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CC[NH2+]C1 ZINC000123167317 158226934 /nfs/dbraw/zinc/22/69/34/158226934.db2.gz RXVNAILOAAYFJK-SSDOTTSWSA-N 0 1 305.743 0.888 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000124252617 158239485 /nfs/dbraw/zinc/23/94/85/158239485.db2.gz HYXAUJBYRMZPOE-QWRGUYRKSA-N 0 1 323.353 0.425 20 5 DCBDMN O=C(NCCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130317682 158294996 /nfs/dbraw/zinc/29/49/96/158294996.db2.gz DMJMRSBYTKDOEB-UHFFFAOYSA-N 0 1 309.322 0.753 20 5 DCBDMN CCOC(=O)c1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC000543761056 412432141 /nfs/dbraw/zinc/43/21/41/412432141.db2.gz XDFHGCWHJQRAAA-UHFFFAOYSA-N 0 1 308.254 0.480 20 5 DCBDMN CC(=O)NC[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000353670683 415621581 /nfs/dbraw/zinc/62/15/81/415621581.db2.gz IPYYVJPIYFKRRQ-ZDUSSCGKSA-N 0 1 309.322 0.637 20 5 DCBDMN COC[C@@H](N)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000354068935 415743937 /nfs/dbraw/zinc/74/39/37/415743937.db2.gz VDVMKWCDOCXYKG-LLVKDONJSA-N 0 1 310.354 0.795 20 5 DCBDMN O=C(CCNC(=O)c1n[nH]cc1[N+](=O)[O-])NCc1ccccc1 ZINC000128127038 415896022 /nfs/dbraw/zinc/89/60/22/415896022.db2.gz GELCYZNKXZVGJQ-UHFFFAOYSA-N 0 1 317.305 0.754 20 5 DCBDMN CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000345445673 416096749 /nfs/dbraw/zinc/09/67/49/416096749.db2.gz HDFITJSQSBAMIM-LBPRGKRZSA-N 0 1 314.298 0.140 20 5 DCBDMN O=C(COc1ccccc1[N+](=O)[O-])NC1(c2nn[nH]n2)CC1 ZINC000352204319 416304573 /nfs/dbraw/zinc/30/45/73/416304573.db2.gz FWBKBMFOPGHCTK-UHFFFAOYSA-N 0 1 304.266 0.292 20 5 DCBDMN CSCC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)N(C)C ZINC000360822375 416412008 /nfs/dbraw/zinc/41/20/08/416412008.db2.gz AUBNSGOQQSOJPO-SSDOTTSWSA-N 0 1 315.355 0.258 20 5 DCBDMN CCC[C@H](O)[C@H](CO)NCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000419803135 416412957 /nfs/dbraw/zinc/41/29/57/416412957.db2.gz BUCICBRHFIVJKS-JQWIXIFHSA-N 0 1 314.338 0.921 20 5 DCBDMN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000533113685 416474387 /nfs/dbraw/zinc/47/43/87/416474387.db2.gz FTGNLEMSTITJBA-VIFPVBQESA-N 0 1 320.313 0.101 20 5 DCBDMN CC(C)[N@H+]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000583151682 416459944 /nfs/dbraw/zinc/45/99/44/416459944.db2.gz ICDKBYDPTNUODC-UHFFFAOYSA-N 0 1 307.354 1.128 20 5 DCBDMN Cc1cc(OCC(=O)NC(C)(C)c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000435752194 416535674 /nfs/dbraw/zinc/53/56/74/416535674.db2.gz JPUQGYJNSRUKOK-UHFFFAOYSA-N 0 1 320.309 0.847 20 5 DCBDMN O=C(NCc1n[nH]cc1Br)c1n[nH]cc1[N+](=O)[O-] ZINC000535010861 416511604 /nfs/dbraw/zinc/51/16/04/416511604.db2.gz ZYOAFDNCSDANDM-UHFFFAOYSA-N 0 1 315.087 0.734 20 5 DCBDMN CC(C)Oc1nc(NCCN2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599199161 416609463 /nfs/dbraw/zinc/60/94/63/416609463.db2.gz FTVWVRMGFOUWTP-NSHDSACASA-N 0 1 310.354 1.256 20 5 DCBDMN C[C@@](N)(C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000423911512 416587261 /nfs/dbraw/zinc/58/72/61/416587261.db2.gz VOEXRMYSEVORRX-AWEZNQCLSA-N 0 1 303.322 0.782 20 5 DCBDMN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1Cc2ccccc2CN1 ZINC000423915934 416590178 /nfs/dbraw/zinc/59/01/78/416590178.db2.gz YPDNZUXMXFXDQL-AWEZNQCLSA-N 0 1 315.333 0.622 20 5 DCBDMN CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC[N@@H+]1CCO ZINC000614895440 416723173 /nfs/dbraw/zinc/72/31/73/416723173.db2.gz UDCKJBKOWVJVMV-UHFFFAOYSA-N 0 1 323.349 0.829 20 5 DCBDMN CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC[N@H+]1CCO ZINC000614895440 416723177 /nfs/dbraw/zinc/72/31/77/416723177.db2.gz UDCKJBKOWVJVMV-UHFFFAOYSA-N 0 1 323.349 0.829 20 5 DCBDMN COC(=O)c1cc(C(C)(C)NC(=O)c2n[nH]cc2[N+](=O)[O-])no1 ZINC000427038056 416796310 /nfs/dbraw/zinc/79/63/10/416796310.db2.gz ZCCOVISUUSZCHC-UHFFFAOYSA-N 0 1 323.265 0.758 20 5 DCBDMN CO[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000615925179 416935221 /nfs/dbraw/zinc/93/52/21/416935221.db2.gz BOGSQNHBFJFCNP-NSHDSACASA-N 0 1 306.278 0.916 20 5 DCBDMN CCc1nn(C)c(N2CCN([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000373177956 416949742 /nfs/dbraw/zinc/94/97/42/416949742.db2.gz RNPCSMMWTBIKQE-STQMWFEESA-N 0 1 323.397 0.926 20 5 DCBDMN NC(=O)c1ccc(CN[C@H](CO)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000447910053 417040609 /nfs/dbraw/zinc/04/06/09/417040609.db2.gz CLWBSWCWRXRQMA-DGCLKSJQSA-N 0 1 309.322 0.323 20 5 DCBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCCOCC2)n1 ZINC000569609286 417277415 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ONOHEHGOBREYIQ-ZIAGYGMSSA-N 0 1 317.345 0.909 20 5 DCBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)C3=CCCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976483776 659350274 /nfs/dbraw/zinc/35/02/74/659350274.db2.gz NUEMETUVJVSAGC-LBELIVKGSA-N 0 1 305.334 0.335 20 5 DCBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)C3(C4CC4)CC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976496275 659362123 /nfs/dbraw/zinc/36/21/23/659362123.db2.gz UAMHASJVWUNINW-LBELIVKGSA-N 0 1 319.361 0.415 20 5 DCBDMN O=C(Cc1ccco1)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC000977044502 659530635 /nfs/dbraw/zinc/53/06/35/659530635.db2.gz LYXLGOPUIGREME-DIACKHNESA-N 0 1 319.317 0.060 20 5 DCBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C(C1CC1)C1CC1 ZINC001000172784 665762136 /nfs/dbraw/zinc/76/21/36/665762136.db2.gz RXLRSWFYFQIRPG-VXGBXAGGSA-N 0 1 307.350 0.415 20 5 DCBDMN O=C(NCc1cccc([N+](=O)[O-])c1)C1CN([C@@H]2CCOC2)C1 ZINC000895940727 662231325 /nfs/dbraw/zinc/23/13/25/662231325.db2.gz YEDGVBXYDUYPHP-CQSZACIVSA-N 0 1 305.334 0.932 20 5 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COc1cc(CN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)ccn1 ZINC001042704954 751850471 /nfs/dbraw/zinc/85/04/71/751850471.db2.gz DGUMQQCFUPPIMD-CHWSQXEVSA-N 0 1 320.349 0.398 20 5 DCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2ccc(CO)cc2)C1 ZINC001042705769 751852371 /nfs/dbraw/zinc/85/23/71/751852371.db2.gz MCIKEVVQVVVBLR-HUUCEWRRSA-N 0 1 319.361 0.487 20 5 DCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2cncc(F)c2)C1 ZINC001042705017 751852730 /nfs/dbraw/zinc/85/27/30/751852730.db2.gz HDRYDDKRJUOBIA-CHWSQXEVSA-N 0 1 308.313 0.529 20 5 DCBDMN CC(C)c1nnc(CN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001042705650 751852749 /nfs/dbraw/zinc/85/27/49/751852749.db2.gz WIKMQMSMCGCDDR-GHMZBOCLSA-N 0 1 323.353 0.501 20 5 DCBDMN Cc1ccnc(NCC=CCNC(=O)c2cnn[nH]2)c1[N+](=O)[O-] ZINC001107587557 752137265 /nfs/dbraw/zinc/13/72/65/752137265.db2.gz WWCUUQWEANWXOG-NSCUHMNNSA-N 0 1 317.309 0.814 20 5 DCBDMN COc1nc(C)nc(-n2c(C)ncc(CN)c2=N)c1[N+](=O)[O-] ZINC001167672701 747498791 /nfs/dbraw/zinc/49/87/91/747498791.db2.gz ULKGAMCFQDMQQB-UHFFFAOYSA-N 0 1 305.298 0.134 20 5 DCBDMN Cc1nnc(CC(=O)NCCNCc2ccccc2[N+](=O)[O-])[nH]1 ZINC001126912111 750112966 /nfs/dbraw/zinc/11/29/66/750112966.db2.gz DJRINFOYBSXCCK-UHFFFAOYSA-N 0 1 318.337 0.470 20 5 DCBDMN CC(F)(F)C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062393365 754717442 /nfs/dbraw/zinc/71/74/42/754717442.db2.gz CABRURNCFYKPLN-HTQZYQBOSA-N 0 1 305.281 0.462 20 5 DCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CN(Cc3nncs3)C[C@H]2C1 ZINC001048812112 754954547 /nfs/dbraw/zinc/95/45/47/754954547.db2.gz AMXMHCAHWKMPKT-LMLFDSFASA-N 0 1 323.378 0.094 20 5 DCBDMN Cn1ccc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)c1 ZINC001062798872 754979857 /nfs/dbraw/zinc/97/98/57/754979857.db2.gz OJNYHKJDJKRQOY-VXGBXAGGSA-N 0 1 320.349 0.459 20 5 DCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1cocn1 ZINC001062989707 755072000 /nfs/dbraw/zinc/07/20/00/755072000.db2.gz OFROJOLKSMBZTK-PSASIEDQSA-N 0 1 308.294 0.109 20 5 DCBDMN CC(C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543725 758001173 /nfs/dbraw/zinc/00/11/73/758001173.db2.gz VDUAZVLHFSQQNA-VXGBXAGGSA-N 0 1 315.370 0.025 20 5 DCBDMN O=C(NC[C@H]1C[C@@H](NCc2cnsn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086082717 759690977 /nfs/dbraw/zinc/69/09/77/759690977.db2.gz BLDJCWWFAYYORA-JZSSXWJLSA-N 0 1 311.367 0.188 20 5 DCBDMN CN(CCNC(=O)CCc1nc[nH]n1)c1ccc([N+](=O)[O-])cn1 ZINC001100017701 763222929 /nfs/dbraw/zinc/22/29/29/763222929.db2.gz FQLPAHISBGRKEU-UHFFFAOYSA-N 0 1 319.325 0.293 20 5 DCBDMN Cn1cncc1C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001130896468 763559862 /nfs/dbraw/zinc/55/98/62/763559862.db2.gz FIXJDXIDRNMNMF-UHFFFAOYSA-N 0 1 309.351 0.909 20 5 DCBDMN CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)Cc1ccn[nH]1 ZINC001101534857 764139601 /nfs/dbraw/zinc/13/96/01/764139601.db2.gz BYQLFOOOJIOTID-UHFFFAOYSA-N 0 1 304.310 0.826 20 5 DCBDMN CN(CCNc1ncc([N+](=O)[O-])cc1F)C(=O)Cc1ccn[nH]1 ZINC001101535205 764139859 /nfs/dbraw/zinc/13/98/59/764139859.db2.gz WVJPBHCAYPHMLH-UHFFFAOYSA-N 0 1 322.300 0.965 20 5 DCBDMN CN(CCNc1ncccc1[N+](=O)[O-])C(=O)CCc1nc[nH]n1 ZINC001101553272 764151941 /nfs/dbraw/zinc/15/19/41/764151941.db2.gz MBPMDKBIIBQZBR-UHFFFAOYSA-N 0 1 319.325 0.611 20 5 DCBDMN Cn1ncc(C(=O)NCCNCc2csc([N+](=O)[O-])c2)n1 ZINC001135288043 765869501 /nfs/dbraw/zinc/86/95/01/765869501.db2.gz DHUYECAXBQGCBW-UHFFFAOYSA-N 0 1 310.339 0.304 20 5 DCBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCNC(=O)C1 ZINC001135429973 765930043 /nfs/dbraw/zinc/93/00/43/765930043.db2.gz ITXKLEZKMPWRGE-UHFFFAOYSA-N 0 1 315.289 0.557 20 5 DCBDMN Cn1ncc([N+](=O)[O-])c1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001120024982 766884594 /nfs/dbraw/zinc/88/45/94/766884594.db2.gz PUWRSNNJRLSWKC-NSHDSACASA-N 0 1 322.369 0.071 20 5 DCBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(C)C1 ZINC001120943317 767319366 /nfs/dbraw/zinc/31/93/66/767319366.db2.gz YOUBZAIYQQYLDA-NSHDSACASA-N 0 1 320.349 0.916 20 5 DCBDMN C[C@@](CO)(NC(=O)CCc1c[nH]nn1)c1cccc([N+](=O)[O-])c1 ZINC001171461767 769289705 /nfs/dbraw/zinc/28/97/05/769289705.db2.gz NQKVBVOJPPDNGS-AWEZNQCLSA-N 0 1 319.321 0.669 20 5 DCBDMN C[C@@](CO)(NC(=O)CCc1cnn[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001171461767 769289712 /nfs/dbraw/zinc/28/97/12/769289712.db2.gz NQKVBVOJPPDNGS-AWEZNQCLSA-N 0 1 319.321 0.669 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CCN(C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC001151360111 769320247 /nfs/dbraw/zinc/32/02/47/769320247.db2.gz WBKNEJKZODMMKW-VIFPVBQESA-N 0 1 311.342 0.019 20 5 DCBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cnc(C[C@H](N)C(N)=O)c1 ZINC001173229879 769567718 /nfs/dbraw/zinc/56/77/18/769567718.db2.gz VYHZDQRKEIHUFR-YGRLFVJLSA-N 0 1 317.349 0.950 20 5 DCBDMN O=C(NCC1(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1)c1ncn[nH]1 ZINC001110199738 770331957 /nfs/dbraw/zinc/33/19/57/770331957.db2.gz IFVCUKQCLKXYLZ-UHFFFAOYSA-N 0 1 319.281 0.188 20 5 DCBDMN O=C(NCC1(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1)c1nc[nH]n1 ZINC001110199738 770331970 /nfs/dbraw/zinc/33/19/70/770331970.db2.gz IFVCUKQCLKXYLZ-UHFFFAOYSA-N 0 1 319.281 0.188 20 5 DCBDMN Cc1ccnc(NC2(CNC(=O)c3ncn[nH]3)CC2)c1[N+](=O)[O-] ZINC001110200221 770340691 /nfs/dbraw/zinc/34/06/91/770340691.db2.gz XTQUQKSICDUIFV-UHFFFAOYSA-N 0 1 317.309 0.791 20 5 DCBDMN Cc1ccnc(NC2(CNC(=O)c3nc[nH]n3)CC2)c1[N+](=O)[O-] ZINC001110200221 770340699 /nfs/dbraw/zinc/34/06/99/770340699.db2.gz XTQUQKSICDUIFV-UHFFFAOYSA-N 0 1 317.309 0.791 20 5 DCBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H](O)c1cnc[nH]1 ZINC001155083889 770391184 /nfs/dbraw/zinc/39/11/84/770391184.db2.gz PHXPMCMCZKTMQP-GFCCVEGCSA-N 0 1 308.269 0.849 20 5 DCBDMN O=[N+]([O-])c1cnc(Cl)nc1NCc1nnc2n1CCCNC2 ZINC001155424953 770498721 /nfs/dbraw/zinc/49/87/21/770498721.db2.gz MRGXKCNESHIZFY-UHFFFAOYSA-N 0 1 324.732 0.735 20 5 DCBDMN Cc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@]3(C(N)=O)C2)c1[N+](=O)[O-] ZINC001179352225 770989765 /nfs/dbraw/zinc/98/97/65/770989765.db2.gz NNGNKBBEIBTMPR-SDBXPKJASA-N 0 1 307.310 0.354 20 5 DCBDMN COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC001157032036 771520661 /nfs/dbraw/zinc/52/06/61/771520661.db2.gz AMCBUWPWWAZSKV-SNVBAGLBSA-N 0 1 321.293 0.171 20 5 DCBDMN CCCc1nc(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001157761062 771665477 /nfs/dbraw/zinc/66/54/77/771665477.db2.gz LWXZFKWKGKTYLA-NXEZZACHSA-N 0 1 311.342 0.283 20 5 DCBDMN CSc1nc(Cl)c([N+](=O)[O-])c(-n2nnnc2CN)n1 ZINC001158074611 771722209 /nfs/dbraw/zinc/72/22/09/771722209.db2.gz JWGVZLQZOFZASS-UHFFFAOYSA-N 0 1 302.707 0.195 20 5 DCBDMN COc1cc2ncnc(NC[C@@H]3COCCN3)c2cc1[N+](=O)[O-] ZINC001159043235 771851446 /nfs/dbraw/zinc/85/14/46/771851446.db2.gz ANYAQSXRXVITPE-SECBINFHSA-N 0 1 319.321 0.947 20 5 DCBDMN Cc1c[n+]([O-])c(NCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001161700940 772267668 /nfs/dbraw/zinc/26/76/68/772267668.db2.gz WSSCVAULCMJESI-UHFFFAOYSA-N 0 1 309.370 0.586 20 5 DCBDMN CCOC(=O)c1c(CN)ncn1-c1ccc(OC)c([N+](=O)[O-])n1 ZINC001162532529 772387755 /nfs/dbraw/zinc/38/77/55/772387755.db2.gz TYDJDXSREDTRQU-UHFFFAOYSA-N 0 1 321.293 0.820 20 5 DCBDMN CCOC(=O)c1cn(-c2ccc([N+](=O)[O-])c(N)n2)nc1CN ZINC001163525684 772535492 /nfs/dbraw/zinc/53/54/92/772535492.db2.gz ZEMOHISRAUEFQT-UHFFFAOYSA-N 0 1 306.282 0.393 20 5 DCBDMN CC1(N2CCOCC2)CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001165132869 772699649 /nfs/dbraw/zinc/69/96/49/772699649.db2.gz XPEFBVVQMCIUPV-UHFFFAOYSA-N 0 1 322.365 0.919 20 5 DCBDMN COc1cc(N2CC(N(C)[C@@H]3CCOC3)C2)ncc1[N+](=O)[O-] ZINC001165205932 772705283 /nfs/dbraw/zinc/70/52/83/772705283.db2.gz YWQKHXGLCSECOZ-SNVBAGLBSA-N 0 1 308.338 0.908 20 5 DCBDMN COCc1nn(-c2c(C)c([N+](=O)[O-])cc[n+]2[O-])c2c1CNC2 ZINC001165633984 772752204 /nfs/dbraw/zinc/75/22/04/772752204.db2.gz YTFQMBCGGRQEIE-UHFFFAOYSA-N 0 1 305.294 0.472 20 5 DCBDMN CCOC(=O)c1[n-]c(=O)nc(O[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001226017415 775755956 /nfs/dbraw/zinc/75/59/56/775755956.db2.gz HBGBPRJIVFKKBG-SSDOTTSWSA-N 0 1 312.282 0.350 20 5 DCBDMN Cc1nc(C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])co1 ZINC001067264336 776940828 /nfs/dbraw/zinc/94/08/28/776940828.db2.gz PXUOYLAAIQGBIM-ZYHUDNBSSA-N 0 1 324.337 0.569 20 5 DCBDMN Cc1cnccc1C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001299160269 939303595 /nfs/dbraw/zinc/30/35/95/939303595.db2.gz LDLMDWPDPQTAME-VXGBXAGGSA-N 0 1 318.333 0.434 20 5 DCBDMN Cc1c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cccc1N1C(=O)CNC1=O ZINC001272553851 942823153 /nfs/dbraw/zinc/82/31/53/942823153.db2.gz FUZIORNJNKPRKL-LDYMZIIASA-N 0 1 318.289 0.655 20 5 DCBDMN CCn1ncnc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001484635156 943483819 /nfs/dbraw/zinc/48/38/19/943483819.db2.gz WUVSMPSEOBLWSU-GHMZBOCLSA-N 0 1 322.369 0.092 20 5 DCBDMN CNC(=O)[C@@H]1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001462381547 1013065543 /nfs/dbraw/zinc/06/55/43/1013065543.db2.gz DKFKYZACALHDTE-SNVBAGLBSA-N 0 1 309.322 0.877 20 5 DCBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC1CN(S(C)(=O)=O)C1 ZINC001254538461 946407199 /nfs/dbraw/zinc/40/71/99/946407199.db2.gz VQXMGIHLYUONOE-JTQLQIEISA-N 0 1 313.379 0.759 20 5 DCBDMN 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Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000154030208 396029615 /nfs/dbraw/zinc/02/96/15/396029615.db2.gz DBXSIEFGNMESNX-LBPRGKRZSA-N 0 1 309.370 0.898 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[S@](=O)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000277854440 396090821 /nfs/dbraw/zinc/09/08/21/396090821.db2.gz CNGJDEUVQVBHIO-ZEDNOMKYSA-N 0 1 314.367 0.721 20 5 DCBDMN O=C(C[C@H]1COCCN1)NCCNc1ccccc1[N+](=O)[O-] ZINC000262280682 396117250 /nfs/dbraw/zinc/11/72/50/396117250.db2.gz XAMNEJIRKPNLHI-NSHDSACASA-N 0 1 308.338 0.501 20 5 DCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCc1cn[nH]c1C ZINC000076432827 396204246 /nfs/dbraw/zinc/20/42/46/396204246.db2.gz CGPGZGCTLFBRGM-UHFFFAOYSA-N 0 1 306.326 0.880 20 5 DCBDMN Cc1n[nH]c(CCNC(=O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000264350872 396273291 /nfs/dbraw/zinc/27/32/91/396273291.db2.gz PVIHPZYHEYRWGI-UHFFFAOYSA-N 0 1 305.294 0.759 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCC(C(=O)OC)CC2)c1[N+](=O)[O-] ZINC000263663922 396221519 /nfs/dbraw/zinc/22/15/19/396221519.db2.gz KMSSGFNMGAWVFR-UHFFFAOYSA-N 0 1 310.310 0.906 20 5 DCBDMN NC(=O)[C@@H]1CCCN1CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000264562641 396291188 /nfs/dbraw/zinc/29/11/88/396291188.db2.gz QXUXZRCCLLJSOB-ZDUSSCGKSA-N 0 1 320.349 0.664 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000185839313 396335215 /nfs/dbraw/zinc/33/52/15/396335215.db2.gz SEALVOQRYGFTIQ-VHSXEESVSA-N 0 1 321.337 0.764 20 5 DCBDMN CC(=O)N1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269309509 396406241 /nfs/dbraw/zinc/40/62/41/396406241.db2.gz FPQCSCXYYFBVGP-UHFFFAOYSA-N 0 1 309.326 0.746 20 5 DCBDMN O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193412245 396450801 /nfs/dbraw/zinc/45/08/01/396450801.db2.gz BLPATOMWMAZVLK-SECBINFHSA-N 0 1 306.322 0.910 20 5 DCBDMN O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193412245 396450803 /nfs/dbraw/zinc/45/08/03/396450803.db2.gz BLPATOMWMAZVLK-SECBINFHSA-N 0 1 306.322 0.910 20 5 DCBDMN COc1ccc(CC(=O)N(C)Cc2nnc[nH]2)cc1[N+](=O)[O-] ZINC000580023903 396483178 /nfs/dbraw/zinc/48/31/78/396483178.db2.gz UAOAKDVKKODBIX-UHFFFAOYSA-N 0 1 305.294 0.923 20 5 DCBDMN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)[C@H]2C1 ZINC000373395073 396588570 /nfs/dbraw/zinc/58/85/70/396588570.db2.gz SWUFBSOVGMPVDD-CABZTGNLSA-N 0 1 305.338 0.738 20 5 DCBDMN O=C1C[C@@H](CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CN1 ZINC000595524645 396623391 /nfs/dbraw/zinc/62/33/91/396623391.db2.gz ZFABFKQREAJCJA-LLVKDONJSA-N 0 1 305.338 0.248 20 5 DCBDMN O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588860173 396695783 /nfs/dbraw/zinc/69/57/83/396695783.db2.gz FDVOMOHTGUMBOO-MNOVXSKESA-N 0 1 311.363 0.937 20 5 DCBDMN O=C(NCc1n[nH]c(C2CC2)n1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000295551469 396700731 /nfs/dbraw/zinc/70/07/31/396700731.db2.gz XSZABVOOHHKTPZ-UHFFFAOYSA-N 0 1 304.266 0.621 20 5 DCBDMN NC(=O)Cc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000589533688 396717652 /nfs/dbraw/zinc/71/76/52/396717652.db2.gz NRAASYYWXWDASG-UHFFFAOYSA-N 0 1 303.278 0.276 20 5 DCBDMN O=c1[nH]ccc(N2CCN([C@@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000596111726 396718208 /nfs/dbraw/zinc/71/82/08/396718208.db2.gz BQBGZQOUOMGILC-ZYHUDNBSSA-N 0 1 308.338 0.731 20 5 DCBDMN NC(=O)c1ccnc(N[C@@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000589573800 396718633 /nfs/dbraw/zinc/71/86/33/396718633.db2.gz KKGNXKWNOGWGOQ-SNVBAGLBSA-N 0 1 305.338 0.985 20 5 DCBDMN C[C@@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596120041 396720176 /nfs/dbraw/zinc/72/01/76/396720176.db2.gz CRKZTEYETVWGOU-NSHDSACASA-N 0 1 321.381 0.742 20 5 DCBDMN O=c1[nH]ccc(N2CC[C@H](CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000596139068 396723625 /nfs/dbraw/zinc/72/36/25/396723625.db2.gz ALGDIJRYZWDKHA-LLVKDONJSA-N 0 1 308.338 0.854 20 5 DCBDMN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC(N2CCOCC2)CC1 ZINC000600104915 396737650 /nfs/dbraw/zinc/73/76/50/396737650.db2.gz CABPHHCFXGYESQ-UHFFFAOYSA-N 0 1 323.353 0.115 20 5 DCBDMN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H](C)N1CCO ZINC000596256323 396746266 /nfs/dbraw/zinc/74/62/66/396746266.db2.gz AAMYTDNXSJLSFU-PHIMTYICSA-N 0 1 322.365 0.585 20 5 DCBDMN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](O)C(F)(F)F ZINC000305780688 396752281 /nfs/dbraw/zinc/75/22/81/396752281.db2.gz TUNMGOXWWPZBAB-RKDXNWHRSA-N 0 1 312.248 0.007 20 5 DCBDMN NC(=O)C1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000610976715 396796759 /nfs/dbraw/zinc/79/67/59/396796759.db2.gz BACAEAJELOVPDS-UHFFFAOYSA-N 0 1 303.278 0.609 20 5 DCBDMN C[C@@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N(C)C ZINC000590890318 396853520 /nfs/dbraw/zinc/85/35/20/396853520.db2.gz HNVNMFPCAMIHRO-NSHDSACASA-N 0 1 307.354 0.589 20 5 DCBDMN COCC1(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])CCOCC1 ZINC000590602157 396811441 /nfs/dbraw/zinc/81/14/41/396811441.db2.gz WKECJWRZDXUGDM-UHFFFAOYSA-N 0 1 323.349 0.979 20 5 DCBDMN Cc1nnnn1-c1ccc(F)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000377587194 397107432 /nfs/dbraw/zinc/10/74/32/397107432.db2.gz WQEBHUMGDRHYJI-LDYMZIIASA-N 0 1 306.257 0.714 20 5 DCBDMN C[C@H]1COCCN1C1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000597679233 397059550 /nfs/dbraw/zinc/05/95/50/397059550.db2.gz QCIUIHPLTMPWKI-JTQLQIEISA-N 0 1 323.353 0.643 20 5 DCBDMN COc1ccc(-c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])n2)cc1 ZINC000364051335 397177209 /nfs/dbraw/zinc/17/72/09/397177209.db2.gz IWJXPEUMHNULSO-GHMZBOCLSA-N 0 1 317.305 0.762 20 5 DCBDMN COC(=O)[C@H]1C[C@H](O)CN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000592206264 397129419 /nfs/dbraw/zinc/12/94/19/397129419.db2.gz YMOIWOUCJQLPNB-RYUDHWBXSA-N 0 1 324.333 0.829 20 5 DCBDMN CCCc1[nH]nc(C(=O)N(C)C[C@@H]2COCCO2)c1[N+](=O)[O-] ZINC000598178810 397184848 /nfs/dbraw/zinc/18/48/48/397184848.db2.gz BRSBNFZSQBVQMY-SECBINFHSA-N 0 1 312.326 0.758 20 5 DCBDMN COC(=O)[C@H]1CNCCCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000592546622 397207738 /nfs/dbraw/zinc/20/77/38/397207738.db2.gz BMYBDSFFJXEEDP-CYBMUJFWSA-N 0 1 321.333 0.880 20 5 DCBDMN C[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N(C)C ZINC000602100506 397301065 /nfs/dbraw/zinc/30/10/65/397301065.db2.gz BWBTUHDLYUPHCH-GHMZBOCLSA-N 0 1 307.354 0.953 20 5 DCBDMN COC(=O)c1ccnc(NCCc2n[nH]c(C)n2)c1[N+](=O)[O-] ZINC000598603985 397257229 /nfs/dbraw/zinc/25/72/29/397257229.db2.gz MPEFJUYTMYGGKC-UHFFFAOYSA-N 0 1 306.282 0.858 20 5 DCBDMN COC(=O)c1ccnc(NCCc2nnc(C)[nH]2)c1[N+](=O)[O-] ZINC000598603985 397257231 /nfs/dbraw/zinc/25/72/31/397257231.db2.gz MPEFJUYTMYGGKC-UHFFFAOYSA-N 0 1 306.282 0.858 20 5 DCBDMN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593855192 397457968 /nfs/dbraw/zinc/45/79/68/397457968.db2.gz GBTJGUDEJIYGTG-SNVBAGLBSA-N 0 1 307.306 0.191 20 5 DCBDMN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593855192 397457973 /nfs/dbraw/zinc/45/79/73/397457973.db2.gz GBTJGUDEJIYGTG-SNVBAGLBSA-N 0 1 307.306 0.191 20 5 DCBDMN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CCCO)CC1 ZINC000125554805 158256795 /nfs/dbraw/zinc/25/67/95/158256795.db2.gz AFGMVCGULCEQEL-UHFFFAOYSA-N 0 1 322.365 0.459 20 5 DCBDMN CCNC(=O)c1cccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000136157404 287026068 /nfs/dbraw/zinc/02/60/68/287026068.db2.gz XMJAHHPOTJOUDO-UHFFFAOYSA-N 0 1 317.305 0.998 20 5 DCBDMN COC(=O)c1cc(C)nc(NCCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000342361872 415151078 /nfs/dbraw/zinc/15/10/78/415151078.db2.gz PBFKEXSCLLLBHZ-UHFFFAOYSA-N 0 1 320.309 1.248 20 5 DCBDMN CNC(=O)N[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000342364339 415154230 /nfs/dbraw/zinc/15/42/30/415154230.db2.gz DLYYBQYXHFTGLR-NSHDSACASA-N 0 1 308.338 0.977 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CC[S@](=O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000352313091 415131174 /nfs/dbraw/zinc/13/11/74/415131174.db2.gz KKXGMAVASAYPLP-PPRQPISWSA-N 0 1 314.367 0.863 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CC[S@@](=O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000352313090 415132498 /nfs/dbraw/zinc/13/24/98/415132498.db2.gz KKXGMAVASAYPLP-IJSAXESFSA-N 0 1 314.367 0.863 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N(C[C@@H](C)O)[C@H](C)CO)c1[N+](=O)[O-] ZINC000275939120 415394658 /nfs/dbraw/zinc/39/46/58/415394658.db2.gz BOVOYTKLCITZQJ-RKDXNWHRSA-N 0 1 314.342 0.645 20 5 DCBDMN COCCN1CC[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290479620 415808549 /nfs/dbraw/zinc/80/85/49/415808549.db2.gz BHJUCHQNCGRSDZ-SECBINFHSA-N 0 1 309.326 0.221 20 5 DCBDMN O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296420011 415926129 /nfs/dbraw/zinc/92/61/29/415926129.db2.gz LFJCWDCMJKGEGJ-LLVKDONJSA-N 0 1 323.349 0.877 20 5 DCBDMN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 ZINC000356643376 415967941 /nfs/dbraw/zinc/96/79/41/415967941.db2.gz LGLVSHHPWSALLP-DCAQKATOSA-N 0 1 321.337 0.695 20 5 DCBDMN CC(C)(CCC(=O)Nc1nn[nH]c1C(=O)NC1CC1)[N+](=O)[O-] ZINC000297696001 415968794 /nfs/dbraw/zinc/96/87/94/415968794.db2.gz JICBZTNLDMOSLQ-UHFFFAOYSA-N 0 1 310.314 0.471 20 5 DCBDMN CNC(=O)CCN(C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000171759093 416040165 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DCBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC(O)(C(F)F)C1 ZINC000425007916 416677876 /nfs/dbraw/zinc/67/78/76/416677876.db2.gz GHYVGMKFIPWNMX-UHFFFAOYSA-N 0 1 312.232 0.923 20 5 DCBDMN CO[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000451748620 417389253 /nfs/dbraw/zinc/38/92/53/417389253.db2.gz JFQDDJHDYINYOF-MRVWCRGKSA-N 0 1 312.322 0.026 20 5 DCBDMN Cc1ccc(NC(=O)C(=O)N2CCNC[C@H]2C)cc1[N+](=O)[O-] ZINC000415342075 417369347 /nfs/dbraw/zinc/36/93/47/417369347.db2.gz IGZNBXWBMRDXCU-SNVBAGLBSA-N 0 1 306.322 0.662 20 5 DCBDMN C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)N1CCN(C)CC1 ZINC000302008289 230032896 /nfs/dbraw/zinc/03/28/96/230032896.db2.gz VEZFSEROMFKIAY-LLVKDONJSA-N 0 1 319.369 0.685 20 5 DCBDMN CN1CCN(CCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000354358764 261208282 /nfs/dbraw/zinc/20/82/82/261208282.db2.gz WBTDYCJDIDEKRM-UHFFFAOYSA-N 0 1 307.354 0.154 20 5 DCBDMN Cc1nn(C)c(N2CCN([C@@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000363410472 262114261 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/nfs/dbraw/zinc/77/61/09/756776109.db2.gz DUORYYKCENZIBL-JDSIRVQZSA-N 0 1 321.377 0.925 20 5 DCBDMN CCC(CC)C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543659 758001797 /nfs/dbraw/zinc/00/17/97/758001797.db2.gz RSLXZGJZWXTZIS-VXGBXAGGSA-N 0 1 315.370 0.025 20 5 DCBDMN O=C([C@@H]1CCCO1)N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169009739 760542698 /nfs/dbraw/zinc/54/26/98/760542698.db2.gz XVOWEKGBPDOKMR-MCIONIFRSA-N 0 1 311.382 0.755 20 5 DCBDMN CCN(CCNC(=O)c1cnn[nH]1)c1ncc([N+](=O)[O-])cc1C ZINC001100762694 763769703 /nfs/dbraw/zinc/76/97/03/763769703.db2.gz JRBNBUHAWRSMHA-UHFFFAOYSA-N 0 1 319.325 0.673 20 5 DCBDMN CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)Cc1c[nH]cn1 ZINC001101975253 764465548 /nfs/dbraw/zinc/46/55/48/764465548.db2.gz QKXCGYDANJJCRZ-UHFFFAOYSA-N 0 1 304.310 0.826 20 5 DCBDMN CCOC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001133647249 765064972 /nfs/dbraw/zinc/06/49/72/765064972.db2.gz PMHXKUBAFMPCPS-GWOFURMSSA-N 0 1 300.311 0.269 20 5 DCBDMN Nc1nccnc1C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001125029255 768341427 /nfs/dbraw/zinc/34/14/27/768341427.db2.gz QKJHNOXQJQHLQZ-UHFFFAOYSA-N 0 1 322.350 0.548 20 5 DCBDMN Cn1cc([C@@H]2C[C@@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)cn1 ZINC001117723531 766134280 /nfs/dbraw/zinc/13/42/80/766134280.db2.gz GGEWVFUOYMTPHJ-ONGXEEELSA-N 0 1 320.309 0.702 20 5 DCBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1nc(O)cc(=O)[nH]1 ZINC001149278025 768722486 /nfs/dbraw/zinc/72/24/86/768722486.db2.gz ORUFBJBDYIWTLC-UHFFFAOYSA-N 0 1 304.262 0.655 20 5 DCBDMN C[C@](CO)(NC(=O)Cc1cnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001151597555 769376191 /nfs/dbraw/zinc/37/61/91/769376191.db2.gz XLBSDVFMWDYKAI-CQSZACIVSA-N 0 1 304.306 0.884 20 5 DCBDMN O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1nc(F)nc3nc[nH]c31)C2 ZINC001234689024 769717735 /nfs/dbraw/zinc/71/77/35/769717735.db2.gz FLERHJXMMOFPPD-YFKPBYRVSA-N 0 1 321.228 0.437 20 5 DCBDMN CNC(=O)NC[C@@H]1CCCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC001175362510 769890179 /nfs/dbraw/zinc/89/01/79/769890179.db2.gz WAFSBKQKKJUDOE-LBPRGKRZSA-N 0 1 324.385 0.883 20 5 DCBDMN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1=NN(C)CC1=O ZINC001179921847 771034939 /nfs/dbraw/zinc/03/49/39/771034939.db2.gz YOELYHYYAGLJAF-QMMMGPOBSA-N 0 1 321.293 0.073 20 5 DCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCCc1cscn1 ZINC001188024963 772261105 /nfs/dbraw/zinc/26/11/05/772261105.db2.gz BQLNDUGTMWPFHT-UHFFFAOYSA-N 0 1 314.348 0.967 20 5 DCBDMN COCc1nn(-c2nc(OC)nc(C)c2[N+](=O)[O-])c2c1CNC2 ZINC001165634010 772752207 /nfs/dbraw/zinc/75/22/07/772752207.db2.gz ZDULBNMELIIXAE-UHFFFAOYSA-N 0 1 320.309 0.637 20 5 DCBDMN COc1nc(C)c([N+](=O)[O-])c(N2CC[C@H](N)C(F)(F)C2)n1 ZINC001166961730 772889690 /nfs/dbraw/zinc/88/96/90/772889690.db2.gz QYMFGZBBDOKSAJ-ZETCQYMHSA-N 0 1 303.269 0.875 20 5 DCBDMN O=c1nc2ccc([N+](=O)[O-])cc2c(OC2CS(=O)(=O)C2)[nH]1 ZINC001227097214 775925900 /nfs/dbraw/zinc/92/59/00/775925900.db2.gz XDJGDTICGBYXND-UHFFFAOYSA-N 0 1 311.275 0.419 20 5 DCBDMN O=C(NCC1(NC(=O)C2CC3(CCC3)C2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001299159866 939297517 /nfs/dbraw/zinc/29/75/17/939297517.db2.gz DWMDDDXFMSYBLP-VXGBXAGGSA-N 0 1 321.377 0.997 20 5 DCBDMN O=C(NCCN(Cc1nccs1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001267325127 939425171 /nfs/dbraw/zinc/42/51/71/939425171.db2.gz CLSDMORPBLLIJE-GHMZBOCLSA-N 0 1 310.379 0.889 20 5 DCBDMN Cc1noc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)n1 ZINC001268036067 939796692 /nfs/dbraw/zinc/79/66/92/939796692.db2.gz KTOQMADTDYPLDK-GHMZBOCLSA-N 0 1 323.353 0.562 20 5 DCBDMN O=C(CCc1ccccc1F)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491284580 943892988 /nfs/dbraw/zinc/89/29/88/943892988.db2.gz YBANHACOYWHQHN-DGCLKSJQSA-N 0 1 323.324 0.656 20 5 DCBDMN O=C(NC[C@@H](CO)CC1CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001321193008 946208221 /nfs/dbraw/zinc/20/82/21/946208221.db2.gz AUSXYASWZLBPDE-JTQLQIEISA-N 0 1 312.326 0.473 20 5 DCBDMN O=C(c1cccc([N+](=O)[O-])c1)N1CCC(O)(c2nn[nH]n2)CC1 ZINC001321618467 946400148 /nfs/dbraw/zinc/40/01/48/946400148.db2.gz JFTOEGGISZMXNE-UHFFFAOYSA-N 0 1 318.293 0.232 20 5 DCBDMN CC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC001299649407 947067792 /nfs/dbraw/zinc/06/77/92/947067792.db2.gz PAAAJJVZTDWEEQ-VIFPVBQESA-N 0 1 309.326 0.792 20 5 DCBDMN Cc1cnc(NCCNC(=O)Cc2cnc[nH]2)c([N+](=O)[O-])c1 ZINC001094150691 947791542 /nfs/dbraw/zinc/79/15/42/947791542.db2.gz VNQGQCDCOBQILP-UHFFFAOYSA-N 0 1 304.310 0.792 20 5 DCBDMN Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)Cc1cnc[nH]1 ZINC001094150724 947791832 /nfs/dbraw/zinc/79/18/32/947791832.db2.gz XUZCXMOAPOCOOC-UHFFFAOYSA-N 0 1 304.310 0.792 20 5 DCBDMN O=C(C=C1CCC1)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001280756320 951070069 /nfs/dbraw/zinc/07/00/69/951070069.db2.gz RCDPUXPRWLYDEC-FDYHWXHSSA-N 0 1 307.350 0.773 20 5 DCBDMN O=C([O-])[C@]12COC[C@H]1C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC001595202931 952318315 /nfs/dbraw/zinc/31/83/15/952318315.db2.gz LOQABOMYEIYFGZ-UXIGCNINSA-N 0 1 322.317 0.661 20 5 DCBDMN CCN1CCN(C2CN(c3ncc([N+](=O)[O-])c(C)n3)C2)CC1 ZINC001338116345 952966768 /nfs/dbraw/zinc/96/67/68/952966768.db2.gz VVRXNDPWQUXQPE-UHFFFAOYSA-N 0 1 306.370 0.519 20 5 DCBDMN COc1cc(C(=O)NCc2nnc[nH]2)c([N+](=O)[O-])cc1OC ZINC001341890747 953256882 /nfs/dbraw/zinc/25/68/82/953256882.db2.gz KWZBWELPLLPSMW-UHFFFAOYSA-N 0 1 307.266 0.660 20 5 DCBDMN C[C@H]1CN2CCN1C[C@H]2C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001347519067 954109888 /nfs/dbraw/zinc/10/98/88/954109888.db2.gz ZSGVBQIULIQOHI-FZMZJTMJSA-N 0 1 304.350 0.599 20 5 DCBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc(F)cc(F)c1 ZINC001348934779 954540305 /nfs/dbraw/zinc/54/03/05/954540305.db2.gz XCYMZSUGIPEQCQ-GHMZBOCLSA-N 0 1 313.260 0.476 20 5 DCBDMN CCc1ccccc1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001348934753 954541473 /nfs/dbraw/zinc/54/14/73/954541473.db2.gz VVMMZRYWHDBVQG-CHWSQXEVSA-N 0 1 305.334 0.760 20 5 DCBDMN CCC(CC)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC001354043892 956261128 /nfs/dbraw/zinc/26/11/28/956261128.db2.gz JPQAYLBRDIWFCN-LBELIVKGSA-N 0 1 309.366 0.661 20 5 DCBDMN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](c3nc[nH]n3)C2)nc1 ZINC001354125062 956291887 /nfs/dbraw/zinc/29/18/87/956291887.db2.gz YCHATMNFIQMALX-MRVPVSSYSA-N 0 1 324.322 0.286 20 5 DCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1(F)CCCCC1 ZINC001355592554 956685602 /nfs/dbraw/zinc/68/56/02/956685602.db2.gz ZGSDHHDXWMROII-GHMZBOCLSA-N 0 1 315.345 0.899 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccoc1C ZINC001356050717 956768710 /nfs/dbraw/zinc/76/87/10/956768710.db2.gz JTJCNKBTJJGUDY-VXGBXAGGSA-N 0 1 309.322 0.832 20 5 DCBDMN Cc1cc(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001296065712 957892248 /nfs/dbraw/zinc/89/22/48/957892248.db2.gz YEGBEPDBJYUTLB-GHMZBOCLSA-N 0 1 311.363 0.910 20 5 DCBDMN Cc1cccnc1C(=O)N(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001298055244 958395093 /nfs/dbraw/zinc/39/50/93/958395093.db2.gz OBLVQXDMLAAKAH-VXGBXAGGSA-N 0 1 320.349 0.586 20 5 DCBDMN Cc1occc1C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001298246381 958486111 /nfs/dbraw/zinc/48/61/11/958486111.db2.gz GTIXLKCKHRYAIM-JGLYPNHGSA-N 0 1 307.306 0.655 20 5 DCBDMN Cc1coc(C)c1C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491688685 959056671 /nfs/dbraw/zinc/05/66/71/959056671.db2.gz WCBUZNHUKJXLDI-GHMZBOCLSA-N 0 1 309.322 0.798 20 5 DCBDMN O=[N+]([O-])c1ccc(OCCNS(=O)(=O)c2ncc[nH]2)cc1 ZINC001309160807 960192440 /nfs/dbraw/zinc/19/24/40/960192440.db2.gz UPZYNFAITCSNPL-UHFFFAOYSA-N 0 1 312.307 0.675 20 5 DCBDMN C[N@H+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H](C(=O)[O-])C1 ZINC001332520949 961591336 /nfs/dbraw/zinc/59/13/36/961591336.db2.gz XEOSALCTOASKDE-SECBINFHSA-N 0 1 320.309 0.090 20 5 DCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1ccc(F)cc1 ZINC001528111297 1014208328 /nfs/dbraw/zinc/20/83/28/1014208328.db2.gz RXQUXAQCQFIGFM-CHWSQXEVSA-N 0 1 323.324 0.608 20 5 DCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc(F)nc1 ZINC001528110203 1014206964 /nfs/dbraw/zinc/20/69/64/1014206964.db2.gz GTNDHKKCBNMPDO-NXEZZACHSA-N 0 1 310.285 0.074 20 5 DCBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccoc1C1CC1 ZINC001522629052 1014258657 /nfs/dbraw/zinc/25/86/57/1014258657.db2.gz VDTSRXVWDIUQOF-GHMZBOCLSA-N 0 1 307.306 0.668 20 5 DCBDMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc(Cl)no1 ZINC001522901245 1014463288 /nfs/dbraw/zinc/46/32/88/1014463288.db2.gz GKJGHMUEVIKCHU-RNFRBKRXSA-N 0 1 316.701 0.229 20 5 DCBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](O)(C(=O)[O-])C1 ZINC001589438783 986765991 /nfs/dbraw/zinc/76/59/91/986765991.db2.gz PQKUARPOCVOGFF-OTYXRUKQSA-N 0 1 323.305 0.443 20 5 DCBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](O)(C(=O)[O-])C1 ZINC001589438783 986766003 /nfs/dbraw/zinc/76/60/03/986766003.db2.gz PQKUARPOCVOGFF-OTYXRUKQSA-N 0 1 323.305 0.443 20 5 DCBDMN C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H](C(=O)[O-])C1 ZINC001598613222 993823824 /nfs/dbraw/zinc/82/38/24/993823824.db2.gz MJCRHDGONWAGSW-VIFPVBQESA-N 0 1 322.321 0.265 20 5 DCBDMN O=C(Nc1ccc(S(=O)(=O)CCO)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001466327044 1016069233 /nfs/dbraw/zinc/06/92/33/1016069233.db2.gz ZPQTZUSHXQZFRC-GHMZBOCLSA-N 0 1 314.319 0.056 20 5 DCBDMN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC001473390247 1016927848 /nfs/dbraw/zinc/92/78/48/1016927848.db2.gz DHXNYBAZUVZGGT-LOWVWBTDSA-N 0 1 307.354 0.686 20 5 DCBDMN O=[N+]([O-])CCN1C[C@H](O)C[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC001473858596 1016983437 /nfs/dbraw/zinc/98/34/37/1016983437.db2.gz SYMUCPZOOPTMKQ-NEPJUHHUSA-N 0 1 303.322 0.856 20 5 DCBDMN O=[N+]([O-])CCN1C[C@H](O)C[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC001473858596 1016983448 /nfs/dbraw/zinc/98/34/48/1016983448.db2.gz SYMUCPZOOPTMKQ-NEPJUHHUSA-N 0 1 303.322 0.856 20 5 DCBDMN O=C(C=C1CCC1)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001514817339 1017051828 /nfs/dbraw/zinc/05/18/28/1017051828.db2.gz RCDPUXPRWLYDEC-YVECIDJPSA-N 0 1 307.350 0.773 20 5 DCBDMN CC(C)C(=O)N(C)CCOCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001520348900 1017266056 /nfs/dbraw/zinc/26/60/56/1017266056.db2.gz OBQPEODHXVCHJH-VXGBXAGGSA-N 0 1 315.370 0.241 20 5 DCBDMN Cc1cnoc1C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001533495210 1011424324 /nfs/dbraw/zinc/42/43/24/1011424324.db2.gz XZDFGBXBUXDAHA-HLKOZVMDSA-N 0 1 308.294 0.050 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[C@]3(CCOC3=O)C2)c1[N+](=O)[O-] ZINC001457311738 1011666039 /nfs/dbraw/zinc/66/60/39/1011666039.db2.gz JBVVFRBEBQJRFA-ZDUSSCGKSA-N 0 1 308.294 0.660 20 5 DCBDMN COC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1nn[n-]n1 ZINC001558339288 1012342032 /nfs/dbraw/zinc/34/20/32/1012342032.db2.gz BQANNTJUSCYIEO-SECBINFHSA-N 0 1 310.245 0.365 20 5 DCBDMN COC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1nn[nH]n1 ZINC001558339288 1012342042 /nfs/dbraw/zinc/34/20/42/1012342042.db2.gz BQANNTJUSCYIEO-SECBINFHSA-N 0 1 310.245 0.365 20 5 DCBDMN COC1(OC)CCN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1O ZINC001560103410 1012440841 /nfs/dbraw/zinc/44/08/41/1012440841.db2.gz OOJFYRCDOLBRGR-NSHDSACASA-N 0 1 314.342 0.155 20 5 DCBDMN CCC(=O)NC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001460778261 1012966972 /nfs/dbraw/zinc/96/69/72/1012966972.db2.gz LAVPKQWGSCTKGA-UHFFFAOYSA-N 0 1 322.365 0.747 20 5 DCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2(C)CC(F)(F)C2)n1 ZINC001475641927 1017129505 /nfs/dbraw/zinc/12/95/05/1017129505.db2.gz NXQNAGQUPQUOBF-UHFFFAOYSA-N 0 1 310.282 0.794 20 5 DCBDMN CC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(Cc2cnon2)CC1 ZINC001500424407 1018447434 /nfs/dbraw/zinc/44/74/34/1018447434.db2.gz DFPWCWRGLWZRQN-VXGBXAGGSA-N 0 1 323.353 0.453 20 5 DCBDMN CC(C)c1cc(C(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC001496025440 1018977514 /nfs/dbraw/zinc/97/75/14/1018977514.db2.gz NHDIPYJUZCHDDS-MWLCHTKSSA-N 0 1 324.337 0.651 20 5 DCBDMN CCN(CCNC(=O)C1=COCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001496682671 1019522976 /nfs/dbraw/zinc/52/29/76/1019522976.db2.gz JIIZZFXNKCEITI-VXGBXAGGSA-N 0 1 311.338 0.311 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1(CF)CCC1 ZINC001496739418 1019596186 /nfs/dbraw/zinc/59/61/86/1019596186.db2.gz IFIRYASLKDDXQK-GHMZBOCLSA-N 0 1 315.345 0.756 20 5 DCBDMN C[C@]1(C(N)=O)CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000279990968 215296074 /nfs/dbraw/zinc/29/60/74/215296074.db2.gz JKCQQHQLEGJZTJ-AWEZNQCLSA-N 0 1 317.305 0.809 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)c1[N+](=O)[O-] ZINC000287976839 219847609 /nfs/dbraw/zinc/84/76/09/219847609.db2.gz ADUMAKLHLZZAJJ-SNVBAGLBSA-N 0 1 321.337 0.711 20 5 DCBDMN C[C@@H](O)CN1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000275482354 212363225 /nfs/dbraw/zinc/36/32/25/212363225.db2.gz UMVHLDCEIPRRJG-SNVBAGLBSA-N 0 1 309.322 0.439 20 5 DCBDMN COC(=O)[C@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000282449445 217003135 /nfs/dbraw/zinc/00/31/35/217003135.db2.gz ISEXFLLAFGPBTQ-HTRCEHHLSA-N 0 1 312.282 0.029 20 5 DCBDMN COCCN1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1=O ZINC000282528404 217065226 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PCZVPPGRFLXJGH-UHFFFAOYSA-N 0 1 314.342 0.740 20 5 DCBDMN O=C(NCCCc1nc[nH]n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000597610775 397031340 /nfs/dbraw/zinc/03/13/40/397031340.db2.gz PFINBEOXKVGTAE-UHFFFAOYSA-N 0 1 319.277 0.804 20 5 DCBDMN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCC[NH2+]CC1 ZINC000592386847 397166754 /nfs/dbraw/zinc/16/67/54/397166754.db2.gz JHDIMNKXPVYIQK-SECBINFHSA-N 0 1 300.340 0.410 20 5 DCBDMN COC(=O)[C@@H]1CNCCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000592552686 397212260 /nfs/dbraw/zinc/21/22/60/397212260.db2.gz GKYJREOXSCWAEO-NSHDSACASA-N 0 1 322.321 0.154 20 5 DCBDMN COCCOC[C@@H](O)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000578128017 397392520 /nfs/dbraw/zinc/39/25/20/397392520.db2.gz ZXHIIAYQAZRVMV-NSHDSACASA-N 0 1 324.337 0.585 20 5 DCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCc2nn(C)c(=O)cc2C1 ZINC000602779191 397482398 /nfs/dbraw/zinc/48/23/98/397482398.db2.gz BWQSXYFDRUCJOG-UHFFFAOYSA-N 0 1 318.337 0.252 20 5 DCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCSC[C@@H]1CCO ZINC000602786246 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O=C(N[C@H]1CC[S@](=O)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000342729574 415274389 /nfs/dbraw/zinc/27/43/89/415274389.db2.gz GDJOWIIIBBMDSY-SGWXMTNESA-N 0 1 308.319 0.722 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCO[C@@]3(CCO[C@H]3C)C2)c1[N+](=O)[O-] ZINC000280209626 415534299 /nfs/dbraw/zinc/53/42/99/415534299.db2.gz WQIHWHBXFJBYFM-ZANVPECISA-N 0 1 310.310 0.646 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCO[C@]3(CCO[C@H]3C)C2)c1[N+](=O)[O-] ZINC000280209611 415537352 /nfs/dbraw/zinc/53/73/52/415537352.db2.gz WQIHWHBXFJBYFM-TVQRCGJNSA-N 0 1 310.310 0.646 20 5 DCBDMN CCCc1n[nH]c(C(=O)NCc2n[nH]c(CC)n2)c1[N+](=O)[O-] ZINC000295477563 415897948 /nfs/dbraw/zinc/89/79/48/415897948.db2.gz YVAXBULUIZOZJC-UHFFFAOYSA-N 0 1 307.314 0.881 20 5 DCBDMN CCN1C[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000344424678 415912432 /nfs/dbraw/zinc/91/24/32/415912432.db2.gz MSTOKTPLYJRHND-TXEJJXNPSA-N 0 1 322.365 0.698 20 5 DCBDMN O=C(Cc1ccn[nH]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173683951 416063733 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O=C(N[C@@H]1CCCc2c1cnn2CCO)c1n[nH]cc1[N+](=O)[O-] ZINC001632247250 1171614981 /nfs/dbraw/zinc/61/49/81/1171614981.db2.gz PCZSDMSXSBWHTN-SECBINFHSA-N 0 1 320.309 0.314 20 5 DCBDMN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H](O)c1cnc[nH]1 ZINC001634630767 1171680602 /nfs/dbraw/zinc/68/06/02/1171680602.db2.gz KXLLWPVEHVBVPT-LLVKDONJSA-N 0 1 308.269 0.849 20 5 DCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC001638818867 1171809378 /nfs/dbraw/zinc/80/93/78/1171809378.db2.gz GVKOJNILQJBKQW-UHFFFAOYSA-N 0 1 307.314 0.674 20 5 DCBDMN CCc1[nH]nc(C(=O)N2[C@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC001639372907 1171833872 /nfs/dbraw/zinc/83/38/72/1171833872.db2.gz OFGYJPZBRYNSAP-HRDYMLBCSA-N 0 1 323.353 0.960 20 5 DCBDMN NC(=O)c1ccnc(NCCN2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC001639920188 1171854866 /nfs/dbraw/zinc/85/48/66/1171854866.db2.gz TUXFEVQBNNYVCY-AOOOYVTPSA-N 0 1 321.337 0.364 20 5 DCBDMN Cn1[nH]c(=O)c2c1CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CC2 ZINC001642796427 1171956903 /nfs/dbraw/zinc/95/69/03/1171956903.db2.gz QRFCQMADCZJQJT-UHFFFAOYSA-N 0 1 318.289 0.938 20 5 DCBDMN Cn1cc(C(F)F)c(CNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC001643822918 1171986029 /nfs/dbraw/zinc/98/60/29/1171986029.db2.gz YKWPZLSGFUKTEW-UHFFFAOYSA-N 0 1 300.225 0.919 20 5 DCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC001644085240 1171995938 /nfs/dbraw/zinc/99/59/38/1171995938.db2.gz FBRCZQZSNWSGIR-OPRDCNLKSA-N 0 1 308.294 0.512 20 5 DCBDMN CCOC(=O)[C@@H](C)C1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC001644191129 1171999667 /nfs/dbraw/zinc/99/96/67/1171999667.db2.gz OTBTYPDGXWJGHE-ZETCQYMHSA-N 0 1 310.310 0.898 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCC([C@H](F)C(N)=O)CC2)c1[N+](=O)[O-] ZINC001648206712 1173070009 /nfs/dbraw/zinc/07/00/09/1173070009.db2.gz SSYZBUKMCIEQPA-QMMMGPOBSA-N 0 1 313.289 0.302 20 5 DCBDMN Cn1cc(CN[C@H](C2CC2)[C@]2(CO)CCCO2)c([N+](=O)[O-])n1 ZINC001653723886 1173793760 /nfs/dbraw/zinc/79/37/60/1173793760.db2.gz PZQWQOHGRHTILC-TZMCWYRMSA-N 0 1 310.354 0.738 20 5 DCBDMN CCc1nc([C@@H]2C[C@@H](O)CN2C(=O)c2ccc([N+](=O)[O-])o2)n[nH]1 ZINC001653817056 1173794146 /nfs/dbraw/zinc/79/41/46/1173794146.db2.gz DIGPMJBRERPCPE-SFYZADRCSA-N 0 1 321.293 0.816 20 5 DCBDMN Nc1ccnc2c1CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC001654564338 1173806462 /nfs/dbraw/zinc/80/64/62/1173806462.db2.gz CYAYXGHWHAVKOK-LLVKDONJSA-N 0 1 318.337 0.188 20 5 DCBDMN C[C@@](CO)(NC[C@@H](O)C1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC001655317963 1173817669 /nfs/dbraw/zinc/81/76/69/1173817669.db2.gz MIZSYNYHNHPXQS-KGLIPLIRSA-N 0 1 310.350 0.668 20 5 DCBDMN O=[N+]([O-])c1ccc(NC[C@@]2(CO)COC[C@@H]3CCCN32)nc1 ZINC001655952650 1173831753 /nfs/dbraw/zinc/83/17/53/1173831753.db2.gz FEGRSIFDWHYVDH-GXTWGEPZSA-N 0 1 308.338 0.627 20 5 DCBDMN CC(=O)N[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001659074063 1173929694 /nfs/dbraw/zinc/92/96/94/1173929694.db2.gz ZXZMNYJYUVDVSR-STQMWFEESA-N 0 1 323.349 0.545 20 5 DCBDMN CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)C(C)(C)F ZINC001663786393 1174351665 /nfs/dbraw/zinc/35/16/65/1174351665.db2.gz FGHQVKBSJPGWCQ-UHFFFAOYSA-N 0 1 301.322 0.624 20 5 DCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2(C3CC3)CCC2)n1 ZINC001664130573 1174399711 /nfs/dbraw/zinc/39/97/11/1174399711.db2.gz JLSZPVQIPAAJRQ-UHFFFAOYSA-N 0 1 300.340 0.939 20 5 DCBDMN Cc1noc(CN(C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001673434790 1175202311 /nfs/dbraw/zinc/20/23/11/1175202311.db2.gz VERWVMACIJLEFK-GHMZBOCLSA-N 0 1 311.342 0.324 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1cc(C)on1 ZINC001688397636 1176480567 /nfs/dbraw/zinc/48/05/67/1176480567.db2.gz DEDUYADRHCPKKO-VXGBXAGGSA-N 0 1 324.337 0.155 20 5 DCBDMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1[nH]ccc1C ZINC001688464359 1176502386 /nfs/dbraw/zinc/50/23/86/1176502386.db2.gz LZJYDOQGQLUUPH-VXGBXAGGSA-N 0 1 322.365 0.957 20 5 DCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccnc(F)c1 ZINC001689065747 1176686424 /nfs/dbraw/zinc/68/64/24/1176686424.db2.gz YTVZNJUPUZPPJT-GHMZBOCLSA-N 0 1 324.312 0.416 20 5 DCBDMN Cc1cc(C)c(C(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001689285548 1176795741 /nfs/dbraw/zinc/79/57/41/1176795741.db2.gz GKHYVRLDDHNPDV-BLDJZWNYSA-N 0 1 321.333 0.964 20 5 DCBDMN Cc1cc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1C(C)C ZINC001703175251 1179371413 /nfs/dbraw/zinc/37/14/13/1179371413.db2.gz GVYYBLJYMYNIMF-ZYHUDNBSSA-N 0 1 323.353 0.284 20 5 DCBDMN CC(C)OCC(=O)N(C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001703579346 1179603766 /nfs/dbraw/zinc/60/37/66/1179603766.db2.gz YMZIFTQQBVPPFB-GHMZBOCLSA-N 0 1 301.343 0.041 20 5 DCBDMN CCN(CCCNC(=O)c1n[nH]cc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001703701360 1179648843 /nfs/dbraw/zinc/64/88/43/1179648843.db2.gz JTFQSUXHUSWYDM-GHMZBOCLSA-N 0 1 323.353 0.352 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cc(OC)no1 ZINC001713484723 1180861363 /nfs/dbraw/zinc/86/13/63/1180861363.db2.gz SDUDQAXTDFKZSA-GHMZBOCLSA-N 0 1 312.326 0.287 20 5 DCBDMN CC(C)N(CCN(C)C(=O)c1ccn[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001718791202 1183359870 /nfs/dbraw/zinc/35/98/70/1183359870.db2.gz HKOKZQYUMZGSDD-ZYHUDNBSSA-N 0 1 323.353 0.384 20 5 DCBDMN CC(C)N(CCN(C)C(=O)c1cc[nH]n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001718791202 1183359872 /nfs/dbraw/zinc/35/98/72/1183359872.db2.gz HKOKZQYUMZGSDD-ZYHUDNBSSA-N 0 1 323.353 0.384 20 5 DCBDMN COC1(CC(=O)NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001720264498 1183539339 /nfs/dbraw/zinc/53/93/39/1183539339.db2.gz LGIBNLZTXJVIGZ-GHMZBOCLSA-N 0 1 313.354 0.233 20 5 DCBDMN CC(F)(F)C1(C(=O)NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001720273328 1183545179 /nfs/dbraw/zinc/54/51/79/1183545179.db2.gz UWCFRRGOPBMDSE-RKDXNWHRSA-N 0 1 319.308 0.710 20 5 DCBDMN CN(CCNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001721093316 1183827068 /nfs/dbraw/zinc/82/70/68/1183827068.db2.gz YHLVXNLSHPZLNP-MCKGTNQJSA-N 0 1 321.377 0.518 20 5 DCBDMN CCCSCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001722057216 1184155136 /nfs/dbraw/zinc/15/51/36/1184155136.db2.gz IMIBSUQYEJHKDX-NXEZZACHSA-N 0 1 315.395 0.560 20 5 DCBDMN CCc1cncc(C(=O)NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001736928490 1187183712 /nfs/dbraw/zinc/18/37/12/1187183712.db2.gz PZQISEFJOZEXFH-CHWSQXEVSA-N 0 1 320.349 0.545 20 5 DCBDMN COC1(CC(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001737723137 1187393025 /nfs/dbraw/zinc/39/30/25/1187393025.db2.gz NQRBHNXQEZFDNO-GHMZBOCLSA-N 0 1 313.354 0.185 20 5 DCBDMN Cc1ccc(C(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1C ZINC001738445597 1187548556 /nfs/dbraw/zinc/54/85/56/1187548556.db2.gz XFNONPGWCLBMLX-NAGRZINJSA-N 0 1 320.349 0.401 20 5 DCBDMN O=C(NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ncccc1F ZINC001738505831 1187577985 /nfs/dbraw/zinc/57/79/85/1187577985.db2.gz WIIBAQJUCWRERP-UESFQREOSA-N 0 1 322.296 0.288 20 5 DCBDMN Cc1ccc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1C ZINC001738751298 1187647451 /nfs/dbraw/zinc/64/74/51/1187647451.db2.gz NYTFYHNLBOLIJJ-ZYHUDNBSSA-N 0 1 320.349 0.377 20 5 DCBDMN Cc1ncoc1C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001747157531 1188244657 /nfs/dbraw/zinc/24/46/57/1188244657.db2.gz FXPXGUASBKSBOY-HLKOZVMDSA-N 0 1 308.294 0.050 20 5 DCBDMN O=C(NC1(CNC(=O)C23CCC(CC2)C3)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001747815304 1188304997 /nfs/dbraw/zinc/30/49/97/1188304997.db2.gz UOIADKKSGKKUCU-HFXYEQLZSA-N 0 1 321.377 0.997 20 5 DCBDMN O=C(NCC1(O)CN(C/C(Cl)=C/Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001754766912 1188929907 /nfs/dbraw/zinc/92/99/07/1188929907.db2.gz BAKSABBLTQDDAF-VBRLMYHSSA-N 0 1 324.164 0.134 20 5 DCBDMN Cc1c(F)cccc1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001757986374 1189662124 /nfs/dbraw/zinc/66/21/24/1189662124.db2.gz QQJXAXKJHYMNID-ZYHUDNBSSA-N 0 1 309.297 0.645 20 5 DCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1(C(F)F)CC1 ZINC001758928990 1190040246 /nfs/dbraw/zinc/04/02/46/1190040246.db2.gz FRFKVUGSWWPHPX-HTQZYQBOSA-N 0 1 305.281 0.272 20 5 DCBDMN CN(CCNC(=O)c1ocnc1C1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001758981822 1190055667 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ZINC000367298493 159329237 /nfs/dbraw/zinc/32/92/37/159329237.db2.gz LHJYXZJVZIMNGJ-OUCADQQQSA-N 0 1 319.317 0.970 20 5 DCBDMN O=C(NCc1cccc(-n2cncn2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000371229073 159554678 /nfs/dbraw/zinc/55/46/78/159554678.db2.gz ZCQZBYXBQSWEFX-UHFFFAOYSA-N 0 1 313.277 0.829 20 5 DCBDMN C[C@H](CS(C)(=O)=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000081903086 286930077 /nfs/dbraw/zinc/93/00/77/286930077.db2.gz PXEVAMFODXZJRN-SNVBAGLBSA-N 0 1 302.352 0.996 20 5 DCBDMN O=C(NCCn1c(=O)[nH]c2ccccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000133951709 287014327 /nfs/dbraw/zinc/01/43/27/287014327.db2.gz VZKXZOMACXRNHN-UHFFFAOYSA-N 0 1 316.277 0.391 20 5 DCBDMN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000363958498 287221999 /nfs/dbraw/zinc/22/19/99/287221999.db2.gz GUZVFCYEIASLDG-SNVBAGLBSA-N 0 1 322.256 0.461 20 5 DCBDMN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1COC[C@@H]1O ZINC000352813609 415336190 /nfs/dbraw/zinc/33/61/90/415336190.db2.gz DWLHBKCYXVIMKK-DRZSPHRISA-N 0 1 312.322 0.026 20 5 DCBDMN COC(=O)c1cnc(NCCCc2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000280667353 415544754 /nfs/dbraw/zinc/54/47/54/415544754.db2.gz CCQDFLLAELKEPT-UHFFFAOYSA-N 0 1 306.282 0.939 20 5 DCBDMN NC(=O)[C@H](Cc1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343322969 415556672 /nfs/dbraw/zinc/55/66/72/415556672.db2.gz OBXVBVPCXIOVSC-VIFPVBQESA-N 0 1 303.278 0.144 20 5 DCBDMN CN(Cc1nnnn1C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000343767305 415717267 /nfs/dbraw/zinc/71/72/67/415717267.db2.gz HDTNFMKQWUBRKV-UHFFFAOYSA-N 0 1 316.281 0.267 20 5 DCBDMN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1ccc2[nH]nnc2c1 ZINC000343796277 415732184 /nfs/dbraw/zinc/73/21/84/415732184.db2.gz GJGLFZXAJQWZDB-UHFFFAOYSA-N 0 1 314.261 0.667 20 5 DCBDMN Cc1c(NC(=O)C(=O)N[C@H](C)c2nnc[nH]2)cccc1[N+](=O)[O-] ZINC000123853205 415845841 /nfs/dbraw/zinc/84/58/41/415845841.db2.gz QRIKHGDEANSHCH-MRVPVSSYSA-N 0 1 318.293 0.837 20 5 DCBDMN CC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000133416417 415946143 /nfs/dbraw/zinc/94/61/43/415946143.db2.gz RKRFVTNYLOHUJA-LLVKDONJSA-N 0 1 323.349 0.829 20 5 DCBDMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000344738763 415980748 /nfs/dbraw/zinc/98/07/48/415980748.db2.gz OPSVGBCVDDNTBA-BDAKNGLRSA-N 0 1 307.314 0.408 20 5 DCBDMN CN(C)C(=O)CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000345127095 416049820 /nfs/dbraw/zinc/04/98/20/416049820.db2.gz GPXQIPVQZLDYMH-UHFFFAOYSA-N 0 1 308.338 0.943 20 5 DCBDMN NC(=O)[C@@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000299211515 416060011 /nfs/dbraw/zinc/06/00/11/416060011.db2.gz FZSLEGUPVIBBAV-MRVPVSSYSA-N 0 1 317.305 0.809 20 5 DCBDMN C[C@@H]1[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCCN1C ZINC000345290777 416072554 /nfs/dbraw/zinc/07/25/54/416072554.db2.gz LHIMOAWUOVAZFB-GHMZBOCLSA-N 0 1 308.338 0.355 20 5 DCBDMN CC(C)[C@@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CCN1C ZINC000357704072 416119316 /nfs/dbraw/zinc/11/93/16/416119316.db2.gz LPVJGJDMXHPGKQ-NSHDSACASA-N 0 1 307.354 0.865 20 5 DCBDMN Cc1c(C(=O)NCCCc2nc(=O)[nH][nH]2)cccc1[N+](=O)[O-] ZINC000174579389 416080791 /nfs/dbraw/zinc/08/07/91/416080791.db2.gz OHTUDWJQGMBDNU-UHFFFAOYSA-N 0 1 305.294 0.677 20 5 DCBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCN[C@@H](C)C1 ZINC000415409841 416341983 /nfs/dbraw/zinc/34/19/83/416341983.db2.gz DVHBWTWKKBGJJR-JTQLQIEISA-N 0 1 320.349 0.970 20 5 DCBDMN NC(=O)N1CCC[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000360267652 416383075 /nfs/dbraw/zinc/38/30/75/416383075.db2.gz XGCUCTJUVKRHJC-VIFPVBQESA-N 0 1 322.321 0.821 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCC(N3CN=NC3=O)CC2)c1[N+](=O)[O-] ZINC000537718116 416561606 /nfs/dbraw/zinc/56/16/06/416561606.db2.gz HWUJXOXRMMENFG-UHFFFAOYSA-N 0 1 321.297 0.401 20 5 DCBDMN CN(C)CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000590538821 416527053 /nfs/dbraw/zinc/52/70/53/416527053.db2.gz BBJBKIXVUXMBGE-UHFFFAOYSA-N 0 1 318.337 0.628 20 5 DCBDMN COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000534284209 416498597 /nfs/dbraw/zinc/49/85/97/416498597.db2.gz FEJPYJMZKMNDDW-NSHDSACASA-N 0 1 319.277 0.227 20 5 DCBDMN CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000535008854 416512396 /nfs/dbraw/zinc/51/23/96/416512396.db2.gz GDQCMXMTORWNKK-HTQZYQBOSA-N 0 1 316.339 0.404 20 5 DCBDMN NS(=O)(=O)c1c(NCCN2CCCC2)cccc1[N+](=O)[O-] ZINC000539187228 416578151 /nfs/dbraw/zinc/57/81/51/416578151.db2.gz DUTLTZSDFWPCDS-UHFFFAOYSA-N 0 1 314.367 0.750 20 5 DCBDMN C[N@@H+]1C[C@@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425062668 416682898 /nfs/dbraw/zinc/68/28/98/416682898.db2.gz DPWBZOCWHSJADX-JOYOIKCWSA-N 0 1 306.322 0.862 20 5 DCBDMN C[N@H+]1C[C@@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425062668 416682902 /nfs/dbraw/zinc/68/29/02/416682902.db2.gz DPWBZOCWHSJADX-JOYOIKCWSA-N 0 1 306.322 0.862 20 5 DCBDMN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1NCCc2ccccc21 ZINC000514673781 416670430 /nfs/dbraw/zinc/67/04/30/416670430.db2.gz KXNHDXVSLBZHNX-CQSZACIVSA-N 0 1 315.333 0.795 20 5 DCBDMN CCO[C@H]1C[C@](CO)(NCc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000444801120 416873806 /nfs/dbraw/zinc/87/38/06/416873806.db2.gz VXSXVAIDGZGMCZ-SMDDNHRTSA-N 0 1 312.370 0.984 20 5 DCBDMN C[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000518776411 416876300 /nfs/dbraw/zinc/87/63/00/416876300.db2.gz AHYIWSMSVIOBPA-JTQLQIEISA-N 0 1 309.322 0.796 20 5 DCBDMN C[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000518776411 416876304 /nfs/dbraw/zinc/87/63/04/416876304.db2.gz AHYIWSMSVIOBPA-JTQLQIEISA-N 0 1 309.322 0.796 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCOC[C@@H]2C[C@@H](C)O)c1[N+](=O)[O-] ZINC000444362700 416836557 /nfs/dbraw/zinc/83/65/57/416836557.db2.gz GCWGUOUIGYZAPV-BDAKNGLRSA-N 0 1 312.326 0.492 20 5 DCBDMN CN(C(=O)CN[C@@H](CO)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000447904261 417038340 /nfs/dbraw/zinc/03/83/40/417038340.db2.gz PKBUCXAZTSAVNH-KBPBESRZSA-N 0 1 323.349 0.687 20 5 DCBDMN CN(C)c1[nH+]cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])n1C ZINC000414065776 417258039 /nfs/dbraw/zinc/25/80/39/417258039.db2.gz GITGCLSTDYSLDZ-SNAWJCMRSA-N 0 1 306.282 0.766 20 5 DCBDMN CO[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000451754527 417392741 /nfs/dbraw/zinc/39/27/41/417392741.db2.gz CEFNWXGKGXMCNQ-ZKYQVNSYSA-N 0 1 312.322 0.026 20 5 DCBDMN O=C(NC[C@H]1CCC[N@H+]1CCCO)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000452376221 417475746 /nfs/dbraw/zinc/47/57/46/417475746.db2.gz YVVQJSZYALGQAR-LLVKDONJSA-N 0 1 324.337 0.272 20 5 DCBDMN O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000452376221 417475750 /nfs/dbraw/zinc/47/57/50/417475750.db2.gz YVVQJSZYALGQAR-LLVKDONJSA-N 0 1 324.337 0.272 20 5 DCBDMN CCN1C[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000453004804 417516564 /nfs/dbraw/zinc/51/65/64/417516564.db2.gz YUQCRJDKYNSFKU-QMMMGPOBSA-N 0 1 317.305 0.822 20 5 DCBDMN C[C@H](Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])c1nnc[nH]1 ZINC000302144864 230121690 /nfs/dbraw/zinc/12/16/90/230121690.db2.gz HBTVXBKEESINIZ-LURJTMIESA-N 0 1 312.311 0.533 20 5 DCBDMN COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC(O)CC1 ZINC000322370560 261178273 /nfs/dbraw/zinc/17/82/73/261178273.db2.gz ZHDYZWCFBXLXHT-UHFFFAOYSA-N 0 1 323.349 0.790 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)c1[N+](=O)[O-] ZINC000362209600 262009793 /nfs/dbraw/zinc/00/97/93/262009793.db2.gz XHDZHKXMFKTSNR-CYBMUJFWSA-N 0 1 307.310 0.369 20 5 DCBDMN C[C@@H](NC(=O)C(=O)N1CCN[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000419157767 262314786 /nfs/dbraw/zinc/31/47/86/262314786.db2.gz WPYSFYDKZCWLMG-WDEREUQCSA-N 0 1 320.349 0.592 20 5 DCBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)CN(C)C)CC2)n1 ZINC000178166422 281011590 /nfs/dbraw/zinc/01/15/90/281011590.db2.gz FAQYGOGQZSYKDT-UHFFFAOYSA-N 0 1 307.354 0.508 20 5 DCBDMN CN(C)CC(=O)N1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000584397456 337318011 /nfs/dbraw/zinc/31/80/11/337318011.db2.gz BOAASVTXDPLUJH-UHFFFAOYSA-N 0 1 311.317 0.339 20 5 DCBDMN CCO[C@H]1C[C@@](O)(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1(C)C ZINC000191745135 520561561 /nfs/dbraw/zinc/56/15/61/520561561.db2.gz LGRMRTXMPHGRDK-TVQRCGJNSA-N 0 1 312.326 0.614 20 5 DCBDMN C[NH+](C)CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000157108069 524057426 /nfs/dbraw/zinc/05/74/26/524057426.db2.gz FYYRDMAAKYGPQJ-UHFFFAOYSA-N 0 1 305.331 0.964 20 5 DCBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000365675726 524901587 /nfs/dbraw/zinc/90/15/87/524901587.db2.gz MKTGUWYKWIAIIZ-SNVBAGLBSA-N 0 1 318.293 0.630 20 5 DCBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H](c2nn[nH]n2)C1 ZINC000365675725 524902055 /nfs/dbraw/zinc/90/20/55/524902055.db2.gz MKTGUWYKWIAIIZ-JTQLQIEISA-N 0 1 318.293 0.630 20 5 DCBDMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCC[NH2+]1 ZINC000157644465 527322130 /nfs/dbraw/zinc/32/21/30/527322130.db2.gz HRISZAFFQDKSAD-MRVPVSSYSA-N 0 1 303.315 0.764 20 5 DCBDMN CC(C)NC(=O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000299451597 529133006 /nfs/dbraw/zinc/13/30/06/529133006.db2.gz ZOLNDYMNKWBELL-UHFFFAOYSA-N 0 1 319.314 0.537 20 5 DCBDMN 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CCCc1[nH]nc(C(=O)N2CCS(=O)(=O)CC2)c1[N+](=O)[O-] ZINC000109624142 395797797 /nfs/dbraw/zinc/79/77/97/395797797.db2.gz GSRDEPDQIBLFCJ-UHFFFAOYSA-N 0 1 316.339 0.141 20 5 DCBDMN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCNC[C@@H]1C ZINC000125818979 395906380 /nfs/dbraw/zinc/90/63/80/395906380.db2.gz YOSUGXYFFHVISY-WDEREUQCSA-N 0 1 320.349 0.533 20 5 DCBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000134974706 395936134 /nfs/dbraw/zinc/93/61/34/395936134.db2.gz ZMMQEARJBKSLMF-RNCFNFMXSA-N 0 1 309.322 0.749 20 5 DCBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000134974706 395936137 /nfs/dbraw/zinc/93/61/37/395936137.db2.gz ZMMQEARJBKSLMF-RNCFNFMXSA-N 0 1 309.322 0.749 20 5 DCBDMN C[C@H](O)C[C@H]1COCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274720059 395970133 /nfs/dbraw/zinc/97/01/33/395970133.db2.gz AINARZPPKINCNT-CABZTGNLSA-N 0 1 310.306 0.912 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2nncn2C)c1[N+](=O)[O-] ZINC000278397051 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COC(=O)c1cc(C)nc(NCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000287780791 396422827 /nfs/dbraw/zinc/42/28/27/396422827.db2.gz IMSNIUCPDCZCTI-UHFFFAOYSA-N 0 1 306.282 0.858 20 5 DCBDMN CCc1[nH]nc(C(=O)N(C)C2(C(N)=O)CCCC2)c1[N+](=O)[O-] ZINC000192825771 396438656 /nfs/dbraw/zinc/43/86/56/396438656.db2.gz AFJXQRAEFLYZKZ-UHFFFAOYSA-N 0 1 309.326 0.750 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCOC[C@@H]2CCOC)c1[N+](=O)[O-] ZINC000292388910 396547810 /nfs/dbraw/zinc/54/78/10/396547810.db2.gz ZPRNSQZDYQNTMP-VIFPVBQESA-N 0 1 312.326 0.758 20 5 DCBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1COCCO1 ZINC000314286334 396780301 /nfs/dbraw/zinc/78/03/01/396780301.db2.gz VKLANYQZVUQYLN-QMMMGPOBSA-N 0 1 320.298 0.428 20 5 DCBDMN COC(=O)[C@@H]1CN(C)CCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596274105 396750489 /nfs/dbraw/zinc/75/04/89/396750489.db2.gz ZBHUMEWNGURCNC-SECBINFHSA-N 0 1 309.326 0.113 20 5 DCBDMN C[N@H+]1CC[C@@H](C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000313974036 396776534 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COc1ccccc1N1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000378121303 397197111 /nfs/dbraw/zinc/19/71/11/397197111.db2.gz PCDPUHAYMOWEBR-JFGNBEQYSA-N 0 1 319.317 0.582 20 5 DCBDMN CO[C@]1(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CCOC1 ZINC000602689676 397462710 /nfs/dbraw/zinc/46/27/10/397462710.db2.gz XFRCNLYHTUGGMZ-HNNXBMFYSA-N 0 1 322.365 0.917 20 5 DCBDMN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2nnc[nH]2)CC1 ZINC000593859106 397459090 /nfs/dbraw/zinc/45/90/90/397459090.db2.gz ORMVXSXILRNTHL-UHFFFAOYSA-N 0 1 322.350 0.732 20 5 DCBDMN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1COCCN1 ZINC000599941771 397548404 /nfs/dbraw/zinc/54/84/04/397548404.db2.gz UKOOSPIWTLZDFQ-ZDUSSCGKSA-N 0 1 322.365 0.767 20 5 DCBDMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000262684102 158834675 /nfs/dbraw/zinc/83/46/75/158834675.db2.gz BQYAYVRKFHEEFD-UHFFFAOYSA-N 0 1 311.294 0.855 20 5 DCBDMN CCN(C)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000152471489 287041832 /nfs/dbraw/zinc/04/18/32/287041832.db2.gz AFRLLCLRRBSSTB-UHFFFAOYSA-N 0 1 301.368 0.966 20 5 DCBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1COC[C@@H]1O ZINC000342443626 415178773 /nfs/dbraw/zinc/17/87/73/415178773.db2.gz QWHAKDKPYLEQEM-MNOVXSKESA-N 0 1 306.278 0.303 20 5 DCBDMN Cc1cc(C(=O)NCC(=O)N2CC(N(C)C)C2)ccc1[N+](=O)[O-] ZINC000273098134 415310554 /nfs/dbraw/zinc/31/05/54/415310554.db2.gz UAVXLQXFBFBECW-UHFFFAOYSA-N 0 1 320.349 0.405 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-][C@H](C[NH3+])CC(C)C)c([N+](=O)[O-])n1 ZINC000353213063 415477379 /nfs/dbraw/zinc/47/73/79/415477379.db2.gz BODQKZSLNAHTPZ-VIFPVBQESA-N 0 1 319.387 0.463 20 5 DCBDMN CO[C@@H]1C[C@H](c2nnc[nH]2)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000344738767 415980203 /nfs/dbraw/zinc/98/02/03/415980203.db2.gz OPSVGBCVDDNTBA-RKDXNWHRSA-N 0 1 307.314 0.408 20 5 DCBDMN C[C@H](CN(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000344962462 416015844 /nfs/dbraw/zinc/01/58/44/416015844.db2.gz WMMNIJUBZLLETQ-MRVPVSSYSA-N 0 1 305.331 0.962 20 5 DCBDMN 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DCBDMN Cn1ccnc1CN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000368686219 416683667 /nfs/dbraw/zinc/68/36/67/416683667.db2.gz VKLHJVOQVSEBCG-VXGBXAGGSA-N 0 1 307.354 0.120 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-][C@H]2CCC[NH2+][C@@H]2C)c([N+](=O)[O-])n1 ZINC000440816901 416649401 /nfs/dbraw/zinc/64/94/01/416649401.db2.gz AZQMBRBTFXWVGE-BDAKNGLRSA-N 0 1 317.371 0.230 20 5 DCBDMN NC(=O)c1ccc(N2CC[C@@H](c3nc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000425290947 416691181 /nfs/dbraw/zinc/69/11/81/416691181.db2.gz YRBLMWSXMYEAMX-SECBINFHSA-N 0 1 302.294 0.806 20 5 DCBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2[nH]nnc2C1 ZINC000427834492 416852325 /nfs/dbraw/zinc/85/23/25/416852325.db2.gz JWSIABMEZFSWPX-UHFFFAOYSA-N 0 1 303.278 0.920 20 5 DCBDMN COc1cc([N+](=O)[O-])ccc1C(=O)NC1(c2nn[nH]n2)CC1 ZINC000427898256 416853975 /nfs/dbraw/zinc/85/39/75/416853975.db2.gz VTCOVUWHPIWQBQ-UHFFFAOYSA-N 0 1 304.266 0.536 20 5 DCBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[NH+](CCCO)CC2)c1 ZINC000520412289 416962710 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ZINC001197543529 773764284 /nfs/dbraw/zinc/76/42/84/773764284.db2.gz QXQBRMBQRNNTBK-JQWIXIFHSA-N 0 1 306.326 0.601 20 5 DCBDMN C[N@H+]1CCCC[C@@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001223646812 775507963 /nfs/dbraw/zinc/50/79/63/775507963.db2.gz NITBFEWXAGXIMJ-LLVKDONJSA-N 0 1 310.358 0.575 20 5 DCBDMN C[N+](C)(C)C[C@H](O)CC(=O)Oc1[n-]c(=O)ncc1C(F)(F)F ZINC001225579617 775697115 /nfs/dbraw/zinc/69/71/15/775697115.db2.gz NLGDQHHGNJBHOG-SSDOTTSWSA-O 0 1 324.279 0.564 20 5 DCBDMN O=c1nc2cc([N+](=O)[O-])ccc2c(OC2CS(=O)(=O)C2)[nH]1 ZINC001228241999 776059488 /nfs/dbraw/zinc/05/94/88/776059488.db2.gz HVOKMZSUWQUKLC-UHFFFAOYSA-N 0 1 311.275 0.419 20 5 DCBDMN COC(=O)[C@@H]1C[C@@H](Oc2nc(C)[nH]c(=O)c2[N+](=O)[O-])CN1C ZINC001229378749 776186311 /nfs/dbraw/zinc/18/63/11/776186311.db2.gz JSUQEJQPQUQRDO-SFYZADRCSA-N 0 1 312.282 0.023 20 5 DCBDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CC(C)(C)O ZINC001067301735 776963130 /nfs/dbraw/zinc/96/31/30/776963130.db2.gz NNRNDOUYHSZPSM-GHMZBOCLSA-N 0 1 315.370 0.120 20 5 DCBDMN O=[N+]([O-])c1cn(CCO[C@@H]2CC2(F)F)nc1-c1nn[nH]n1 ZINC001593486737 1167871379 /nfs/dbraw/zinc/87/13/79/1167871379.db2.gz JGEMLYRFRZIWJT-ZCFIWIBFSA-N 0 1 301.213 0.396 20 5 DCBDMN CN(CCNC(=O)c1ncn(C)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266271874 939038482 /nfs/dbraw/zinc/03/84/82/939038482.db2.gz NHFSTWRRZYUJSY-UHFFFAOYSA-N 0 1 318.337 0.585 20 5 DCBDMN O=C(NCCN(Cc1cnsn1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001266591871 939173474 /nfs/dbraw/zinc/17/34/74/939173474.db2.gz ADAHZUNDMGJHFF-GHMZBOCLSA-N 0 1 311.367 0.284 20 5 DCBDMN O=C(NCC1(NC(=O)C2C=CC=CC=C2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001299160376 939303218 /nfs/dbraw/zinc/30/32/18/939303218.db2.gz NYNRMDRCWXYFNX-CHWSQXEVSA-N 0 1 317.345 0.715 20 5 DCBDMN O=C(NC1CN(CCCOc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001318020414 945243473 /nfs/dbraw/zinc/24/34/73/945243473.db2.gz PRLNEZLJBFLIGI-HUUCEWRRSA-N 0 1 319.361 0.921 20 5 DCBDMN Cc1ccncc1C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001299160810 939322052 /nfs/dbraw/zinc/32/20/52/939322052.db2.gz YYBIIFOBHAKTQG-ZYHUDNBSSA-N 0 1 318.333 0.434 20 5 DCBDMN CN(CCNCc1nc(C(F)F)no1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267371854 939438110 /nfs/dbraw/zinc/43/81/10/939438110.db2.gz XWGDLVHUVYMDSU-RNFRBKRXSA-N 0 1 319.268 0.220 20 5 DCBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1coc(C2CC2)n1 ZINC001491284562 943893257 /nfs/dbraw/zinc/89/32/57/943893257.db2.gz XSRHDXHTWWHTBQ-PSASIEDQSA-N 0 1 308.294 0.063 20 5 DCBDMN Cc1ccnc(N(C)CCNC(=O)c2ncn[nH]2)c1[N+](=O)[O-] ZINC001487402789 945705740 /nfs/dbraw/zinc/70/57/40/945705740.db2.gz NGBOAEOCDNTATD-UHFFFAOYSA-N 0 1 305.298 0.283 20 5 DCBDMN Cc1ccnc(N(C)CCNC(=O)c2nc[nH]n2)c1[N+](=O)[O-] ZINC001487402789 945705750 /nfs/dbraw/zinc/70/57/50/945705750.db2.gz NGBOAEOCDNTATD-UHFFFAOYSA-N 0 1 305.298 0.283 20 5 DCBDMN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](c2nc[nH]n2)C1 ZINC001261862473 947462939 /nfs/dbraw/zinc/46/29/39/947462939.db2.gz XPDZSVROOAUXQP-ZETCQYMHSA-N 0 1 304.266 0.443 20 5 DCBDMN Cc1nc(NCCNC(=O)CCc2c[nH]nn2)ccc1[N+](=O)[O-] ZINC001094129509 947778999 /nfs/dbraw/zinc/77/89/99/947778999.db2.gz DBURMQCTABDSQK-UHFFFAOYSA-N 0 1 319.325 0.577 20 5 DCBDMN Cc1nc(NCCNC(=O)CCc2cnn[nH]2)ccc1[N+](=O)[O-] ZINC001094129509 947779005 /nfs/dbraw/zinc/77/90/05/947779005.db2.gz DBURMQCTABDSQK-UHFFFAOYSA-N 0 1 319.325 0.577 20 5 DCBDMN CN(CCNC(=O)c1ncn[nH]1)c1cccc(F)c1[N+](=O)[O-] ZINC001263220698 947822214 /nfs/dbraw/zinc/82/22/14/947822214.db2.gz OLUCTUDOUKLPTE-UHFFFAOYSA-N 0 1 308.273 0.718 20 5 DCBDMN CN(CCNC(=O)c1nc[nH]n1)c1cccc(F)c1[N+](=O)[O-] ZINC001263220698 947822220 /nfs/dbraw/zinc/82/22/20/947822220.db2.gz OLUCTUDOUKLPTE-UHFFFAOYSA-N 0 1 308.273 0.718 20 5 DCBDMN CCOCC(=O)N1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001487551357 948131821 /nfs/dbraw/zinc/13/18/21/948131821.db2.gz ZFABHLFEFCGDGL-VXGBXAGGSA-N 0 1 313.354 0.138 20 5 DCBDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnns1 ZINC001327213870 948422516 /nfs/dbraw/zinc/42/25/16/948422516.db2.gz XNDKDMQRSGIKIC-GHMZBOCLSA-N 0 1 313.383 0.484 20 5 DCBDMN COC[C@]1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CNCCO1 ZINC001330592839 950532753 /nfs/dbraw/zinc/53/27/53/950532753.db2.gz HRUFHKHMHYYBNK-HNNXBMFYSA-N 0 1 321.333 0.442 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CC[C@H](C)[S@@](=O)CC2)c1[N+](=O)[O-] ZINC001339063709 953070774 /nfs/dbraw/zinc/07/07/74/953070774.db2.gz VUHFCPCCRYTJDA-JKNYTWMOSA-N 0 1 300.340 0.609 20 5 DCBDMN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H]1CCN(C)C1 ZINC001340068489 953142393 /nfs/dbraw/zinc/14/23/93/953142393.db2.gz WIZSPLSAUGHHAY-VIFPVBQESA-N 0 1 324.312 0.801 20 5 DCBDMN COC[C@@H]1CNCCN1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001342295607 953282502 /nfs/dbraw/zinc/28/25/02/953282502.db2.gz MHZFOUNXYARIAR-LBPRGKRZSA-N 0 1 323.349 0.593 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCCS(=O)(=O)CC2)c1[N+](=O)[O-] ZINC001343783729 953373553 /nfs/dbraw/zinc/37/35/53/953373553.db2.gz RYOLYLLLLWTWAK-UHFFFAOYSA-N 0 1 316.339 0.141 20 5 DCBDMN O=[N+]([O-])Cc1nnc(N2CCN(CC3CC3)CC2)n1CC1CC1 ZINC001345150123 953601154 /nfs/dbraw/zinc/60/11/54/953601154.db2.gz BLAPXYZJDBHAMJ-UHFFFAOYSA-N 0 1 320.397 0.997 20 5 DCBDMN CCN1CCN(c2nnc(C[N+](=O)[O-])n2CC2CC2)C[C@H]1C ZINC001346935469 953984681 /nfs/dbraw/zinc/98/46/81/953984681.db2.gz JLQMUAJTEKLAML-LLVKDONJSA-N 0 1 308.386 0.995 20 5 DCBDMN Cc1ccc(C(=O)NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001283183351 954109719 /nfs/dbraw/zinc/10/97/19/954109719.db2.gz LGQABUJNQLJNMI-VXGBXAGGSA-N 0 1 306.322 0.291 20 5 DCBDMN CN(CCNC(=O)Cc1ncccc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284572407 955181594 /nfs/dbraw/zinc/18/15/94/955181594.db2.gz JEELBWIUTWQYBC-BXKDBHETSA-N 0 1 324.312 0.003 20 5 DCBDMN CCCN(CCNC(=O)c1c[nH]nc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284712645 955242263 /nfs/dbraw/zinc/24/22/63/955242263.db2.gz MDYMGTDIFVRHCK-ZYHUDNBSSA-N 0 1 323.353 0.352 20 5 DCBDMN CN(CCNC(=O)c1ccc(F)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355444490 956650316 /nfs/dbraw/zinc/65/03/16/956650316.db2.gz MXKOYMQHGDJPDF-VXGBXAGGSA-N 0 1 309.297 0.679 20 5 DCBDMN O=C(NCCC1=CCN(C(=O)C2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001288711543 956684127 /nfs/dbraw/zinc/68/41/27/956684127.db2.gz UBGCKNYRZYHWPK-CHWSQXEVSA-N 0 1 307.350 0.727 20 5 DCBDMN CCN(CCNC(=O)C1CCOCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355955518 956749706 /nfs/dbraw/zinc/74/97/06/956749706.db2.gz WOGIOAPTLZYMOW-VXGBXAGGSA-N 0 1 313.354 0.043 20 5 DCBDMN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CN(C)CCN1C ZINC001293745161 957424012 /nfs/dbraw/zinc/42/40/12/957424012.db2.gz OOIPAQFDJVBBHJ-MFKMUULPSA-N 0 1 321.381 0.541 20 5 DCBDMN O=C(CCCF)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001293769282 957426605 /nfs/dbraw/zinc/42/66/05/957426605.db2.gz MKZINAITQQBXBU-GHMZBOCLSA-N 0 1 301.318 0.509 20 5 DCBDMN O=C(NCC1(NC(=O)C2(F)CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001358661165 957552828 /nfs/dbraw/zinc/55/28/28/957552828.db2.gz GEECZCUMEIUNLO-NXEZZACHSA-N 0 1 313.329 0.699 20 5 DCBDMN C[C@H]1CN(CCO)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001307836073 960160313 /nfs/dbraw/zinc/16/03/13/960160313.db2.gz CHEQCXQHFSURLY-WFASDCNBSA-N 0 1 309.366 0.627 20 5 DCBDMN O=C(CCCc1nn[nH]n1)NCCc1ccccc1[N+](=O)[O-] ZINC001448748546 1014021521 /nfs/dbraw/zinc/02/15/21/1014021521.db2.gz IZDPOJBVMUGGNO-UHFFFAOYSA-N 0 1 304.310 0.790 20 5 DCBDMN CN(CCNC(=O)C1CCC=CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001528181519 1014224788 /nfs/dbraw/zinc/22/47/88/1014224788.db2.gz LXGQSCCZXZSXQF-CHWSQXEVSA-N 0 1 309.366 0.973 20 5 DCBDMN O=C(NCCCNC(=O)C1(CCF)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001522900827 1014463267 /nfs/dbraw/zinc/46/32/67/1014463267.db2.gz BIRVWYOBFWTRRQ-NXEZZACHSA-N 0 1 301.318 0.414 20 5 DCBDMN Cc1cc(C(=O)N(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)on1 ZINC001529759749 1014609804 /nfs/dbraw/zinc/60/98/04/1014609804.db2.gz UKXFDTDBOGSBTN-GHMZBOCLSA-N 0 1 322.321 0.369 20 5 DCBDMN COC(=O)[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC001598829536 996421104 /nfs/dbraw/zinc/42/11/04/996421104.db2.gz SYPOHHJVSACWQM-VHSXEESVSA-N 0 1 309.278 0.295 20 5 DCBDMN COC(=O)[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC001598829536 996421109 /nfs/dbraw/zinc/42/11/09/996421109.db2.gz SYPOHHJVSACWQM-VHSXEESVSA-N 0 1 309.278 0.295 20 5 DCBDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001465881053 1016032469 /nfs/dbraw/zinc/03/24/69/1016032469.db2.gz WLLUOHVWLIBFSM-NOZJJQNGSA-N 0 1 318.337 0.997 20 5 DCBDMN CO[C@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@](C)(C(=O)[O-])C1 ZINC001599134496 998015712 /nfs/dbraw/zinc/01/57/12/998015712.db2.gz PXAVIDQJPYFRIM-MFKMUULPSA-N 0 1 312.326 0.664 20 5 DCBDMN CNC(=O)[C@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC001469199241 1016319865 /nfs/dbraw/zinc/31/98/65/1016319865.db2.gz FZXSJCLMLWRDPM-QMMMGPOBSA-N 0 1 309.326 0.649 20 5 DCBDMN CC(=O)c1cn(C2CN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])C2)nn1 ZINC001472303084 1016778793 /nfs/dbraw/zinc/77/87/93/1016778793.db2.gz WLWRIQPOCWQHCE-UHFFFAOYSA-N 0 1 319.281 0.118 20 5 DCBDMN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC001473390246 1016927087 /nfs/dbraw/zinc/92/70/87/1016927087.db2.gz DHXNYBAZUVZGGT-GVXVVHGQSA-N 0 1 307.354 0.686 20 5 DCBDMN Cc1ccoc1C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001506049287 1016945584 /nfs/dbraw/zinc/94/55/84/1016945584.db2.gz WSMYVMDNMRCLGS-NXEZZACHSA-N 0 1 307.306 0.632 20 5 DCBDMN C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1=NN(C)CC1=O ZINC001456793921 1011466562 /nfs/dbraw/zinc/46/65/62/1011466562.db2.gz OWFORGUWTYHJCK-QMMMGPOBSA-N 0 1 322.325 0.843 20 5 DCBDMN Cc1nc(CNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)n[nH]1 ZINC001456830025 1011480666 /nfs/dbraw/zinc/48/06/66/1011480666.db2.gz DSTYISKHPRGXRF-UHFFFAOYSA-N 0 1 307.314 0.541 20 5 DCBDMN COC[C@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC001558340210 1012347821 /nfs/dbraw/zinc/34/78/21/1012347821.db2.gz YDMLHVLSVYRTKT-KCJUWKMLSA-N 0 1 320.309 0.715 20 5 DCBDMN Cc1n[nH]c(C(=O)NC[C@H]2CCN2C2CCOCC2)c1[N+](=O)[O-] ZINC001558538314 1012364548 /nfs/dbraw/zinc/36/45/48/1012364548.db2.gz GPRKWQPASPNOHF-LLVKDONJSA-N 0 1 323.353 0.609 20 5 DCBDMN Nc1nc(N2CCN[C@@H](c3ccc(O)cc3)C2)ncc1[N+](=O)[O-] ZINC001559270195 1012413443 /nfs/dbraw/zinc/41/34/43/1012413443.db2.gz HDDQGPZBKMUVIB-LLVKDONJSA-N 0 1 316.321 0.824 20 5 DCBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H](CO)[C@H]2CO)c1 ZINC001560037610 1012441378 /nfs/dbraw/zinc/44/13/78/1012441378.db2.gz PMFSRQYAWDTITR-NWANDNLSSA-N 0 1 310.350 0.693 20 5 DCBDMN CC(C)(O)C[C@H](O)CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001460622242 1012946304 /nfs/dbraw/zinc/94/63/04/1012946304.db2.gz USLREGBSDULJQP-DZGCQCFKSA-N 0 1 312.366 0.914 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cncc(F)c1 ZINC001496739664 1019598010 /nfs/dbraw/zinc/59/80/10/1019598010.db2.gz MQFUNIVXMSDITL-VXGBXAGGSA-N 0 1 324.312 0.464 20 5 DCBDMN CCN(CCNC(=O)C1(CCF)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001496846382 1019693231 /nfs/dbraw/zinc/69/32/31/1019693231.db2.gz USHFWLZWPUUMKB-GHMZBOCLSA-N 0 1 315.345 0.756 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCS(=O)(=O)C[C@H]2C)c1[N+](=O)[O-] ZINC000278720648 214352865 /nfs/dbraw/zinc/35/28/65/214352865.db2.gz XJQAFHWCKGVNFC-SSDOTTSWSA-N 0 1 316.339 0.139 20 5 DCBDMN Cc1nn(C)c(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272621567 210024653 /nfs/dbraw/zinc/02/46/53/210024653.db2.gz LVYHSWNJCWETHO-MNOVXSKESA-N 0 1 307.354 0.803 20 5 DCBDMN Cc1ccc(S(=O)(=O)NCCc2nc[nH]n2)cc1[N+](=O)[O-] ZINC000080623847 192173714 /nfs/dbraw/zinc/17/37/14/192173714.db2.gz QMTKJVALKBBMEL-UHFFFAOYSA-N 0 1 311.323 0.542 20 5 DCBDMN COc1ccc(NC(=O)CN(C)Cc2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000174812451 198388296 /nfs/dbraw/zinc/38/82/96/198388296.db2.gz DJIRICMAHPEFNZ-UHFFFAOYSA-N 0 1 320.309 0.792 20 5 DCBDMN C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C(=O)[O-])C1 ZINC000566683831 291318705 /nfs/dbraw/zinc/31/87/05/291318705.db2.gz JFSQVIWRLJEEGY-JLLWLGSASA-N 0 1 312.326 0.337 20 5 DCBDMN CN1CCN(C)[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000264710214 204094262 /nfs/dbraw/zinc/09/42/62/204094262.db2.gz OKBIDPDVQQSKPO-ZDUSSCGKSA-N 0 1 306.366 0.499 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCO[C@H](Cn3cccn3)C2)c1[N+](=O)[O-] ZINC000264715360 204098242 /nfs/dbraw/zinc/09/82/42/204098242.db2.gz GOKOFBRLKRVPQJ-JTQLQIEISA-N 0 1 320.309 0.364 20 5 DCBDMN CNC(=O)NC(=O)[C@@H](C)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282512912 217053121 /nfs/dbraw/zinc/05/31/21/217053121.db2.gz SFLXYRPRKPOOIT-SNVBAGLBSA-N 0 1 308.338 0.913 20 5 DCBDMN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N1CCN(C)CC1 ZINC000339334012 253065909 /nfs/dbraw/zinc/06/59/09/253065909.db2.gz DCQFQVXRLDSHIF-LLVKDONJSA-N 0 1 309.370 0.299 20 5 DCBDMN COC[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)OC ZINC000272994179 210373956 /nfs/dbraw/zinc/37/39/56/210373956.db2.gz QLXDTSXVISYSSR-SECBINFHSA-N 0 1 308.294 0.862 20 5 DCBDMN Cc1nn(C)c(C(=O)NC2(c3nn[nH]n3)CCCC2)c1[N+](=O)[O-] ZINC000346333143 254038022 /nfs/dbraw/zinc/03/80/22/254038022.db2.gz PWXZHSJXMXNUEL-UHFFFAOYSA-N 0 1 320.313 0.349 20 5 DCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCc3ccc(O)cc3C2)c1 ZINC000348541288 254243621 /nfs/dbraw/zinc/24/36/21/254243621.db2.gz UFJUCRRXDXOBBE-OAHLLOKOSA-N 0 1 318.333 0.916 20 5 DCBDMN NC(=O)C1(O)CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000284396832 131076879 /nfs/dbraw/zinc/07/68/79/131076879.db2.gz WCEABZOCCZWVIA-UHFFFAOYSA-N 0 1 309.322 0.286 20 5 DCBDMN COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000011639495 395686694 /nfs/dbraw/zinc/68/66/94/395686694.db2.gz RXIMIIHLMLXRBX-LLVKDONJSA-N 0 1 318.289 0.832 20 5 DCBDMN CCc1nn(C)c(NC[C@@H](C)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000094154128 395739911 /nfs/dbraw/zinc/73/99/11/395739911.db2.gz SXXOGGRSXBGMKH-LLVKDONJSA-N 0 1 310.402 0.939 20 5 DCBDMN CCc1nc([C@@H](C)NC(=O)NCCn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000270599525 395788457 /nfs/dbraw/zinc/78/84/57/395788457.db2.gz DPCYJOWUWAHBHL-MRVPVSSYSA-N 0 1 322.329 0.532 20 5 DCBDMN COC[C@@H](O)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000270892574 395820016 /nfs/dbraw/zinc/82/00/16/395820016.db2.gz YDZFXRLQWKIHLO-QMMMGPOBSA-N 0 1 322.314 0.410 20 5 DCBDMN CC1(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])OCCO1 ZINC000271064071 395834789 /nfs/dbraw/zinc/83/47/89/395834789.db2.gz IAJRZDVZWFOMMJ-UHFFFAOYSA-N 0 1 320.298 0.775 20 5 DCBDMN CN(C)CC(=O)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000114562422 395835870 /nfs/dbraw/zinc/83/58/70/395835870.db2.gz VDEOPQANLXUGEC-UHFFFAOYSA-N 0 1 320.393 0.843 20 5 DCBDMN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCc2nc[nH]n2)s1 ZINC000271348293 395860328 /nfs/dbraw/zinc/86/03/28/395860328.db2.gz HBPYABKBNUULNY-UHFFFAOYSA-N 0 1 317.352 0.833 20 5 DCBDMN CC(=O)NC[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000272453040 395892693 /nfs/dbraw/zinc/89/26/93/395892693.db2.gz BCZIITILHAPAMD-CYBMUJFWSA-N 0 1 323.305 0.278 20 5 DCBDMN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1nnc[nH]1 ZINC000066048592 396000059 /nfs/dbraw/zinc/00/00/59/396000059.db2.gz XGBMBGSDIJMGRU-UHFFFAOYSA-N 0 1 300.278 0.984 20 5 DCBDMN COC(=O)c1cnc(NCCc2n[nH]c(C)n2)c([N+](=O)[O-])c1 ZINC000276774097 396027383 /nfs/dbraw/zinc/02/73/83/396027383.db2.gz NNDBRPVBFXCXRI-UHFFFAOYSA-N 0 1 306.282 0.858 20 5 DCBDMN COC(=O)c1cnc(NCCc2nnc(C)[nH]2)c([N+](=O)[O-])c1 ZINC000276774097 396027385 /nfs/dbraw/zinc/02/73/85/396027385.db2.gz NNDBRPVBFXCXRI-UHFFFAOYSA-N 0 1 306.282 0.858 20 5 DCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(CC(C)C)CC1 ZINC000068178510 396047845 /nfs/dbraw/zinc/04/78/45/396047845.db2.gz IOCOQWSDXUYLOL-UHFFFAOYSA-N 0 1 309.370 0.900 20 5 DCBDMN CC(=O)N[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000159721025 396070574 /nfs/dbraw/zinc/07/05/74/396070574.db2.gz AKXRKELBIDTIOE-SSDOTTSWSA-N 0 1 318.293 0.843 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCOC[C@@H]2CC(C)=O)c1[N+](=O)[O-] ZINC000278287042 396117214 /nfs/dbraw/zinc/11/72/14/396117214.db2.gz AWOSMJWPPZWPCV-VIFPVBQESA-N 0 1 310.310 0.700 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCN(C(C)=O)C[C@H]2C)c1[N+](=O)[O-] ZINC000278366864 396121044 /nfs/dbraw/zinc/12/10/44/396121044.db2.gz HWVYSIPJMPUCHE-MRVPVSSYSA-N 0 1 309.326 0.573 20 5 DCBDMN CCOC1CC(O)(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000277730575 396083984 /nfs/dbraw/zinc/08/39/84/396083984.db2.gz NZSQIDKGNLQNJA-UHFFFAOYSA-N 0 1 310.306 0.960 20 5 DCBDMN O=C(NC[C@H](CO)[C@H]1CCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000280542995 396207296 /nfs/dbraw/zinc/20/72/96/396207296.db2.gz SVYFIWSNYNWRQC-GXSJLCMTSA-N 0 1 310.306 0.675 20 5 DCBDMN O=C1CCCN1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176231699 396152404 /nfs/dbraw/zinc/15/24/04/396152404.db2.gz PCCLGXQPYFRAKQ-UHFFFAOYSA-N 0 1 307.354 0.878 20 5 DCBDMN COCCN1CCCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000264298407 396269003 /nfs/dbraw/zinc/26/90/03/396269003.db2.gz YNHRNNLHSSAEKP-UHFFFAOYSA-N 0 1 311.342 0.421 20 5 DCBDMN COCCN1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000264298407 396269007 /nfs/dbraw/zinc/26/90/07/396269007.db2.gz YNHRNNLHSSAEKP-UHFFFAOYSA-N 0 1 311.342 0.421 20 5 DCBDMN Cc1ccc(C(=O)NC[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000264643035 396298785 /nfs/dbraw/zinc/29/87/85/396298785.db2.gz FHTLWBSARCDEDL-ZDUSSCGKSA-N 0 1 306.366 0.879 20 5 DCBDMN CCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1CC(=O)N(C)C1=O ZINC000283687594 396343821 /nfs/dbraw/zinc/34/38/21/396343821.db2.gz WRYRYPSZCBKNHY-MRVPVSSYSA-N 0 1 323.309 0.236 20 5 DCBDMN C[C@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000189747136 396398448 /nfs/dbraw/zinc/39/84/48/396398448.db2.gz SDEDTPUIJCYTGQ-JTQLQIEISA-N 0 1 309.322 0.439 20 5 DCBDMN CC1N=NC(=S)N1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269311950 396406652 /nfs/dbraw/zinc/40/66/52/396406652.db2.gz ZBEDBGKXDUJSSA-UHFFFAOYSA-N 0 1 323.334 0.919 20 5 DCBDMN C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000191954354 396427814 /nfs/dbraw/zinc/42/78/14/396427814.db2.gz YJDSHCMLQZRKDA-GHMZBOCLSA-N 0 1 323.349 0.828 20 5 DCBDMN C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000191954354 396427816 /nfs/dbraw/zinc/42/78/16/396427816.db2.gz YJDSHCMLQZRKDA-GHMZBOCLSA-N 0 1 323.349 0.828 20 5 DCBDMN CO[C@@H](C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000594716220 396500325 /nfs/dbraw/zinc/50/03/25/396500325.db2.gz MIHPKLUNZZWIRF-JTQLQIEISA-N 0 1 302.352 0.993 20 5 DCBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@]1(O)CCOC1 ZINC000269984530 396457365 /nfs/dbraw/zinc/45/73/65/396457365.db2.gz NSLCHNUNVYCQCO-NSHDSACASA-N 0 1 320.298 0.164 20 5 DCBDMN CO[C@H]1COC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000292424405 396549934 /nfs/dbraw/zinc/54/99/34/396549934.db2.gz CNFIUJQUOSEBPO-QWRGUYRKSA-N 0 1 306.278 0.615 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-]CC2([NH3+])CCCC2)c([N+](=O)[O-])n1 ZINC000595119873 396552081 /nfs/dbraw/zinc/55/20/81/396552081.db2.gz KWIKKGHDXCLKBT-UHFFFAOYSA-N 0 1 317.371 0.361 20 5 DCBDMN CCN1CC[C@H]2OCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 ZINC000293944502 396643444 /nfs/dbraw/zinc/64/34/44/396643444.db2.gz RERHENAXZOTVLQ-WDEREUQCSA-N 0 1 309.326 0.253 20 5 DCBDMN CCc1nocc1CN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000293456290 396610846 /nfs/dbraw/zinc/61/08/46/396610846.db2.gz PVCKCBOUROWKEQ-GFCCVEGCSA-N 0 1 309.326 0.835 20 5 DCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCOC3(CCCC3)C2)c1 ZINC000305122072 396737884 /nfs/dbraw/zinc/73/78/84/396737884.db2.gz JXGYJILDSNDRPU-CYBMUJFWSA-N 0 1 310.354 0.797 20 5 DCBDMN CSCC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(N)=O ZINC000600256426 396776318 /nfs/dbraw/zinc/77/63/18/396776318.db2.gz DYJKFLXHTSBWTH-JTQLQIEISA-N 0 1 313.335 0.637 20 5 DCBDMN CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000611088506 396814578 /nfs/dbraw/zinc/81/45/78/396814578.db2.gz ZZGMXHJUEMPLGR-NSHDSACASA-N 0 1 308.338 0.309 20 5 DCBDMN C[C@@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000591374442 396911991 /nfs/dbraw/zinc/91/19/91/396911991.db2.gz GQYNOQSHYMUNKE-GHMZBOCLSA-N 0 1 320.349 0.420 20 5 DCBDMN CCOc1ccc(C(=O)NCCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000600809068 396948339 /nfs/dbraw/zinc/94/83/39/396948339.db2.gz RLQXXRDZDZUGPD-LBPRGKRZSA-N 0 1 323.349 0.790 20 5 DCBDMN COC1CC[NH+](CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000618382448 396974358 /nfs/dbraw/zinc/97/43/58/396974358.db2.gz QHHRBNJYCWOZGF-UHFFFAOYSA-N 0 1 324.337 0.536 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CCC(O)(CO)CC2)c1[N+](=O)[O-] ZINC000598179406 397185453 /nfs/dbraw/zinc/18/54/53/397185453.db2.gz YAFHAOSZDHVESN-UHFFFAOYSA-N 0 1 312.326 0.230 20 5 DCBDMN COC(=O)C[C@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000574078094 397233903 /nfs/dbraw/zinc/23/39/03/397233903.db2.gz PNIMDCRRXOKLMF-JTQLQIEISA-N 0 1 311.294 0.110 20 5 DCBDMN C[C@@H]1CNCCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598660966 397269983 /nfs/dbraw/zinc/26/99/83/397269983.db2.gz AIIPQPVXFLAAFS-SNVBAGLBSA-N 0 1 321.337 0.537 20 5 DCBDMN O=c1[nH]cnc2cc(NCCN3CC[C@@H](O)C3)c([N+](=O)[O-])cc12 ZINC000599176021 397354651 /nfs/dbraw/zinc/35/46/51/397354651.db2.gz OLFUAYSPOMVOOZ-SECBINFHSA-N 0 1 319.321 0.722 20 5 DCBDMN CN1CCN(C)[C@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593461185 397371345 /nfs/dbraw/zinc/37/13/45/397371345.db2.gz MGLVFRGYNJYRJM-CYBMUJFWSA-N 0 1 324.356 0.638 20 5 DCBDMN COC[C@H]1C[C@@H](O)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000593817182 397448175 /nfs/dbraw/zinc/44/81/75/397448175.db2.gz XKZNIPLFFQOLAX-NXEZZACHSA-N 0 1 320.305 0.693 20 5 DCBDMN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCc1cnc[nH]1 ZINC000599357411 397417429 /nfs/dbraw/zinc/41/74/29/397417429.db2.gz SZZZLXUCYYDXMT-UHFFFAOYSA-N 0 1 310.335 0.980 20 5 DCBDMN Cc1sc(S(=O)(=O)NCCc2nc[nH]n2)cc1[N+](=O)[O-] ZINC000125218480 158252285 /nfs/dbraw/zinc/25/22/85/158252285.db2.gz VMKLDJZUYWNHPK-UHFFFAOYSA-N 0 1 317.352 0.604 20 5 DCBDMN C[C@H]1[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000356876025 159254919 /nfs/dbraw/zinc/25/49/19/159254919.db2.gz LOJMMQLLGSOTLQ-QWRGUYRKSA-N 0 1 308.338 0.308 20 5 DCBDMN CN(C(=O)CN1CC[C@H](CC(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000367372994 159334603 /nfs/dbraw/zinc/33/46/03/159334603.db2.gz VYQCAWPXYVRSTM-LLVKDONJSA-N 0 1 320.349 0.755 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCOC[C@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000408102894 160036305 /nfs/dbraw/zinc/03/63/05/160036305.db2.gz DTOVUPWWPOZRJY-UWVGGRQHSA-N 0 1 310.310 0.646 20 5 DCBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)S(=O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000408341590 160088194 /nfs/dbraw/zinc/08/81/94/160088194.db2.gz HROWPZHEUBRIDU-BQBZGAKWSA-N 0 1 300.340 0.608 20 5 DCBDMN Nc1c(C(=O)N[C@@H](CO)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000340834468 287149657 /nfs/dbraw/zinc/14/96/57/287149657.db2.gz WROGGGGTDOYOCD-LLVKDONJSA-N 0 1 322.365 0.754 20 5 DCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CC=CCC1 ZINC000355389453 287180582 /nfs/dbraw/zinc/18/05/82/287180582.db2.gz DUUGXDOAKCGOBN-UHFFFAOYSA-N 0 1 307.354 0.868 20 5 DCBDMN C[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])N1CCN(C)CC1 ZINC000357269184 287204924 /nfs/dbraw/zinc/20/49/24/287204924.db2.gz ZHYVIZSYPURLLY-SNVBAGLBSA-N 0 1 322.369 0.137 20 5 DCBDMN CN1CCN(C)[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000268055731 415152786 /nfs/dbraw/zinc/15/27/86/415152786.db2.gz SRNDQMFVAMLWOF-HNNXBMFYSA-N 0 1 320.393 0.889 20 5 DCBDMN CCO[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@]12CCCO2 ZINC000274263938 415346464 /nfs/dbraw/zinc/34/64/64/415346464.db2.gz VTQIQKYBDQZBAF-GIPNMCIBSA-N 0 1 310.310 0.774 20 5 DCBDMN COC[C@@H](O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000336832797 415825257 /nfs/dbraw/zinc/82/52/57/415825257.db2.gz FTDPJLODFYRFAI-ZETCQYMHSA-N 0 1 308.287 0.020 20 5 DCBDMN C[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356591347 415956908 /nfs/dbraw/zinc/95/69/08/415956908.db2.gz DFSNNFKHNRHHMD-RDDDGLTNSA-N 0 1 314.319 0.463 20 5 DCBDMN O=C(NC[C@H]1CCCCS1(=O)=O)c1n[nH]cc1[N+](=O)[O-] ZINC000345147119 416052352 /nfs/dbraw/zinc/05/23/52/416052352.db2.gz IFFPYAZWLNZWRF-SSDOTTSWSA-N 0 1 302.312 0.015 20 5 DCBDMN CN1CCN(C)[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000357256894 416054256 /nfs/dbraw/zinc/05/42/56/416054256.db2.gz PHDAISDHYKPAPY-CYBMUJFWSA-N 0 1 324.356 0.638 20 5 DCBDMN COc1ccc(S(=O)(=O)N[C@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000344897036 416004483 /nfs/dbraw/zinc/00/44/83/416004483.db2.gz FEYFTYIINFZIOP-SECBINFHSA-N 0 1 317.367 0.832 20 5 DCBDMN Cc1cc(C(=O)NCCCc2nc(=O)[nH][nH]2)cc([N+](=O)[O-])c1 ZINC000176252779 416122778 /nfs/dbraw/zinc/12/27/78/416122778.db2.gz BPNPRPLRKYXKHB-UHFFFAOYSA-N 0 1 305.294 0.677 20 5 DCBDMN CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000179264906 416185285 /nfs/dbraw/zinc/18/52/85/416185285.db2.gz FXIFMMGYVYUXLB-SNVBAGLBSA-N 0 1 311.342 0.405 20 5 DCBDMN CC(C)CN1CCO[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000179264906 416185287 /nfs/dbraw/zinc/18/52/87/416185287.db2.gz FXIFMMGYVYUXLB-SNVBAGLBSA-N 0 1 311.342 0.405 20 5 DCBDMN C[C@H]1CCNC(=O)[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000193584831 416318940 /nfs/dbraw/zinc/31/89/40/416318940.db2.gz QUERWLXHDIPCDB-IINYFYTJSA-N 0 1 320.349 0.672 20 5 DCBDMN O=C(C[C@H]1COCCN1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423727234 416549408 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Cc1[nH]nc(C(=O)N(C)[C@H](CO)COC(C)C)c1[N+](=O)[O-] ZINC000432588554 417191739 /nfs/dbraw/zinc/19/17/39/417191739.db2.gz DJQXDLNWJCQVFG-SECBINFHSA-N 0 1 300.315 0.484 20 5 DCBDMN Cc1ccc(NC(=O)C(=O)N2CCNC[C@@H]2C)cc1[N+](=O)[O-] ZINC000415342073 417368631 /nfs/dbraw/zinc/36/86/31/417368631.db2.gz IGZNBXWBMRDXCU-JTQLQIEISA-N 0 1 306.322 0.662 20 5 DCBDMN CC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)NC ZINC000452090352 417448200 /nfs/dbraw/zinc/44/82/00/417448200.db2.gz RZCXKPCHDVOCRS-MRVPVSSYSA-N 0 1 319.314 0.537 20 5 DCBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000452386005 417479500 /nfs/dbraw/zinc/47/95/00/417479500.db2.gz WIDANPFJALUEPL-JTQLQIEISA-N 0 1 323.353 0.149 20 5 DCBDMN CNc1nc(C(=O)N[C@@H]2CCN(CCOC)C2)ccc1[N+](=O)[O-] ZINC000455510197 417607361 /nfs/dbraw/zinc/60/73/61/417607361.db2.gz AHCNTEXKNMXLBD-SNVBAGLBSA-N 0 1 323.353 0.482 20 5 DCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCOC[C@@]12CCOC2 ZINC000282281974 304498981 /nfs/dbraw/zinc/49/89/81/304498981.db2.gz 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ZINC000439084900 271634381 /nfs/dbraw/zinc/63/43/81/271634381.db2.gz IHZWVSWJPTVUCZ-UHFFFAOYSA-N 0 1 308.338 0.311 20 5 DCBDMN C[C@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CCN1 ZINC000515145045 287647735 /nfs/dbraw/zinc/64/77/35/287647735.db2.gz QAKXKNGTMYIEGS-JTQLQIEISA-N 0 1 306.322 0.031 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](CO)[C@H](O)C2)c1[N+](=O)[O-] ZINC000546698119 288026916 /nfs/dbraw/zinc/02/69/16/288026916.db2.gz UMDHVMXAPUJQDY-RKDXNWHRSA-N 0 1 312.326 0.257 20 5 DCBDMN O=C(NCCCc1nc[nH]n1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000552588697 288277395 /nfs/dbraw/zinc/27/73/95/288277395.db2.gz MNIAEMWJEYUVLW-UHFFFAOYSA-N 0 1 315.293 0.952 20 5 DCBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000280460671 281363087 /nfs/dbraw/zinc/36/30/87/281363087.db2.gz INTQBMTULTZMHW-YMTOWFKASA-N 0 1 324.337 0.900 20 5 DCBDMN C[C@@H](O)CN1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000189346949 525796001 /nfs/dbraw/zinc/79/60/01/525796001.db2.gz WURZOZPEONMGBC-CYBMUJFWSA-N 0 1 309.366 0.972 20 5 DCBDMN CNC(=O)c1ccc(N(C)Cc2n[nH]c(=O)o2)c([N+](=O)[O-])c1 ZINC000425285659 536429684 /nfs/dbraw/zinc/42/96/84/536429684.db2.gz SYLGMXUFDDPNQB-UHFFFAOYSA-N 0 1 307.266 0.679 20 5 DCBDMN C[C@H](C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1)C(=O)[O-] ZINC000827449854 600823353 /nfs/dbraw/zinc/82/33/53/600823353.db2.gz OXNXJRMYZVBGQO-SKDRFNHKSA-N 0 1 312.326 0.337 20 5 DCBDMN O=C([O-])C[C@@H]1CSCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000833221410 601890355 /nfs/dbraw/zinc/89/03/55/601890355.db2.gz LJZUBGCXAFUWGR-SECBINFHSA-N 0 1 300.340 0.683 20 5 DCBDMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000827016758 604400259 /nfs/dbraw/zinc/40/02/59/604400259.db2.gz RMKAQFLDLXTZKX-NSHDSACASA-N 0 1 300.315 0.601 20 5 DCBDMN CN(C(=O)C[NH2+][C@@]1(C(=O)[O-])CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000833686428 604486674 /nfs/dbraw/zinc/48/66/74/604486674.db2.gz VXUKTBJLGWMLQJ-AWEZNQCLSA-N 0 1 323.305 0.391 20 5 DCBDMN 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20 5 DCBDMN NC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001610635416 1171274036 /nfs/dbraw/zinc/27/40/36/1171274036.db2.gz FZVFMOIPAHVBOZ-SNVBAGLBSA-N 0 1 323.305 0.365 20 5 DCBDMN C[C@H](CN(C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC001611065834 1171350508 /nfs/dbraw/zinc/35/05/08/1171350508.db2.gz RDBHLVXEBQQIHG-LDYMZIIASA-N 0 1 320.309 0.403 20 5 DCBDMN C[C@@H](CN(C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC001611065831 1171351370 /nfs/dbraw/zinc/35/13/70/1171351370.db2.gz RDBHLVXEBQQIHG-GZMMTYOYSA-N 0 1 320.309 0.403 20 5 DCBDMN O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](c2nnn[n-]2)C1 ZINC001620535864 1171403738 /nfs/dbraw/zinc/40/37/38/1171403738.db2.gz DEFXBRVVIYCTMO-SNVBAGLBSA-N 0 1 304.310 0.976 20 5 DCBDMN O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](c2nnn[n-]2)C1 ZINC001620535864 1171403739 /nfs/dbraw/zinc/40/37/39/1171403739.db2.gz DEFXBRVVIYCTMO-SNVBAGLBSA-N 0 1 304.310 0.976 20 5 DCBDMN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](c2nn[nH]n2)C1 ZINC001620535864 1171403744 /nfs/dbraw/zinc/40/37/44/1171403744.db2.gz DEFXBRVVIYCTMO-SNVBAGLBSA-N 0 1 304.310 0.976 20 5 DCBDMN Cc1noc(CN2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c1[N+](=O)[O-] ZINC001620487817 1171404395 /nfs/dbraw/zinc/40/43/95/1171404395.db2.gz FRLCAIMYCWOSDX-CHWSQXEVSA-N 0 1 308.294 0.376 20 5 DCBDMN C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCN(C2CC2)C1 ZINC001625284248 1171469204 /nfs/dbraw/zinc/46/92/04/1171469204.db2.gz GEJXCXPCGDKJIS-JTQLQIEISA-N 0 1 307.354 0.885 20 5 DCBDMN CN1C[C@H](O)C[C@@]1(C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001628764005 1171535825 /nfs/dbraw/zinc/53/58/25/1171535825.db2.gz PVYSHTSCJSOLAH-ABAIWWIYSA-N 0 1 322.365 0.578 20 5 DCBDMN CN1C[C@@H](O)C[C@@]1(C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001628764007 1171536361 /nfs/dbraw/zinc/53/63/61/1171536361.db2.gz PVYSHTSCJSOLAH-NHYWBVRUSA-N 0 1 322.365 0.578 20 5 DCBDMN COc1c(C(=O)N2CC[C@@H](c3nn[nH]n3)C2)cccc1[N+](=O)[O-] ZINC001636501270 1171739782 /nfs/dbraw/zinc/73/97/82/1171739782.db2.gz FQRDXBDUJPHWQJ-MRVPVSSYSA-N 0 1 318.293 0.746 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CC(N3CCOCC3)C2)c1[N+](=O)[O-] ZINC001639577377 1171843439 /nfs/dbraw/zinc/84/34/39/1171843439.db2.gz XORSAZXHOMYYTI-UHFFFAOYSA-N 0 1 323.353 0.427 20 5 DCBDMN CN1CC(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)=NC1=O ZINC001639663785 1171845676 /nfs/dbraw/zinc/84/56/76/1171845676.db2.gz SJHHWQADAGXIPO-UHFFFAOYSA-N 0 1 316.277 0.840 20 5 DCBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1n[nH]c(CO)n1 ZINC001641944638 1171933205 /nfs/dbraw/zinc/93/32/05/1171933205.db2.gz KOIYUGLPLIUVSH-UHFFFAOYSA-N 0 1 323.334 0.857 20 5 DCBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nnc(CO)[nH]1 ZINC001641944638 1171933207 /nfs/dbraw/zinc/93/32/07/1171933207.db2.gz KOIYUGLPLIUVSH-UHFFFAOYSA-N 0 1 323.334 0.857 20 5 DCBDMN CNc1ccc(C(=O)N2CC[C@H](c3nn[nH]n3)C2)cc1[N+](=O)[O-] ZINC001644299131 1172003277 /nfs/dbraw/zinc/00/32/77/1172003277.db2.gz GYZZLYWDYGMJRZ-VIFPVBQESA-N 0 1 317.309 0.779 20 5 DCBDMN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)c1cnc[nH]1 ZINC001651850045 1173755047 /nfs/dbraw/zinc/75/50/47/1173755047.db2.gz VHJBSYBMFKYGGL-LLVKDONJSA-N 0 1 306.278 0.790 20 5 DCBDMN C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C1=NN(C)CC1=O ZINC001653244606 1173783989 /nfs/dbraw/zinc/78/39/89/1173783989.db2.gz FUTVGYWNHINEHL-MRVPVSSYSA-N 0 1 308.298 0.498 20 5 DCBDMN Cn1nccc1C1(O)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001654686037 1173809542 /nfs/dbraw/zinc/80/95/42/1173809542.db2.gz YJKYPSCDSVDNFW-UHFFFAOYSA-N 0 1 320.353 0.508 20 5 DCBDMN CNC(=O)N[C@@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001654781471 1173811479 /nfs/dbraw/zinc/81/14/79/1173811479.db2.gz MIIRMNGTEJBKJL-LLVKDONJSA-N 0 1 310.358 0.493 20 5 DCBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(CO)(CO)CC2)c1 ZINC001660071065 1173939835 /nfs/dbraw/zinc/93/98/35/1173939835.db2.gz MHTJRAPZLYDABZ-AWEZNQCLSA-N 0 1 310.350 0.695 20 5 DCBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccn2c1CCCC2 ZINC001703174798 1179371785 /nfs/dbraw/zinc/37/17/85/1179371785.db2.gz AHUGYIOLJBPXGQ-DGCLKSJQSA-N 0 1 320.349 0.336 20 5 DCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cccc(F)c1 ZINC001704203467 1179929865 /nfs/dbraw/zinc/92/98/65/1179929865.db2.gz SZOJSXPEOYZPNN-VXGBXAGGSA-N 0 1 309.297 0.679 20 5 DCBDMN Cc1ccncc1CC(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001704221378 1179937243 /nfs/dbraw/zinc/93/72/43/1179937243.db2.gz IROLVMSNKKBZOY-CHWSQXEVSA-N 0 1 320.349 0.172 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1c(C)ccn1C ZINC001704275223 1179959069 /nfs/dbraw/zinc/95/90/69/1179959069.db2.gz DGSZUTOLDRCLAP-VXGBXAGGSA-N 0 1 322.365 0.577 20 5 DCBDMN CC(C)c1nnc(CN(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])[nH]1 ZINC001712946565 1180577307 /nfs/dbraw/zinc/57/73/07/1180577307.db2.gz ZOOYKWUGZMUAFS-GHMZBOCLSA-N 0 1 324.385 0.531 20 5 DCBDMN Cc1nonc1CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001713036867 1180643251 /nfs/dbraw/zinc/64/32/51/1180643251.db2.gz CXQZUJUWSGZIPM-DGCLKSJQSA-N 0 1 323.353 0.514 20 5 DCBDMN Cc1n[nH]nc1C(=O)N(C)CCNCc1csc([N+](=O)[O-])c1 ZINC001714742754 1181518929 /nfs/dbraw/zinc/51/89/29/1181518929.db2.gz XWNUKHFLBKCXTE-UHFFFAOYSA-N 0 1 324.366 0.945 20 5 DCBDMN Cc1ccoc1C(=O)NCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001721222405 1183867995 /nfs/dbraw/zinc/86/79/95/1183867995.db2.gz CCBHBKSBPHIYLG-VXGBXAGGSA-N 0 1 321.333 0.974 20 5 DCBDMN Cn1ccc(CNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)n1 ZINC001733716251 1186412781 /nfs/dbraw/zinc/41/27/81/1186412781.db2.gz HMEBLLWCNMRKQS-VXGBXAGGSA-N 0 1 307.354 0.214 20 5 DCBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1(F)CCCC1 ZINC001738058366 1187462352 /nfs/dbraw/zinc/46/23/52/1187462352.db2.gz QIYDZNFVJDHCDK-GHMZBOCLSA-N 0 1 313.329 0.509 20 5 DCBDMN CN(CCOCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1(C)CC1 ZINC001738667864 1187623564 /nfs/dbraw/zinc/62/35/64/1187623564.db2.gz RPJKXGKREFVTDC-GHMZBOCLSA-N 0 1 313.354 0.043 20 5 DCBDMN Cc1nocc1C(=O)NCCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001743686433 1188156195 /nfs/dbraw/zinc/15/61/95/1188156195.db2.gz PPLCPGNYTZKBTO-MWLCHTKSSA-N 0 1 310.310 0.227 20 5 DCBDMN CCc1n[nH]cc1C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001747783239 1188302780 /nfs/dbraw/zinc/30/27/80/1188302780.db2.gz OKNWMSCSLXMBCQ-LDYMZIIASA-N 0 1 321.337 0.016 20 5 DCBDMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nc(C)no1 ZINC001753143390 1188514522 /nfs/dbraw/zinc/51/45/22/1188514522.db2.gz QSMXKYRYNQOZFR-GHMZBOCLSA-N 0 1 311.342 0.371 20 5 DCBDMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ncoc1C ZINC001759059029 1190080524 /nfs/dbraw/zinc/08/05/24/1190080524.db2.gz BQKVASKFJVSUJE-GHMZBOCLSA-N 0 1 324.337 0.617 20 5 DCBDMN Cc1n[nH]c(C)c1C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001759698136 1190273256 /nfs/dbraw/zinc/27/32/56/1190273256.db2.gz FFSBVHNUIATMMU-YIZUVKHSSA-N 0 1 321.337 0.094 20 5 DCBDMN Cc1ncoc1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001759882655 1190328421 /nfs/dbraw/zinc/32/84/21/1190328421.db2.gz MTGFFDXZGGZJRW-RKDXNWHRSA-N 0 1 308.294 0.027 20 5 DCBDMN Cc1nc(C(=O)NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)o1 ZINC001575822669 1164164060 /nfs/dbraw/zinc/16/40/60/1164164060.db2.gz QLEDWYFEVMVYFY-NXEZZACHSA-N 0 1 310.310 0.193 20 5 DCBDMN CN1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]21 ZINC001164669329 719382513 /nfs/dbraw/zinc/38/25/13/719382513.db2.gz UTVULMKKVPUGNZ-GHMZBOCLSA-N 0 1 309.282 0.417 20 5 DCBDMN Cc1noc(CCCN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001042705657 751852769 /nfs/dbraw/zinc/85/27/69/751852769.db2.gz WONAJNWUSKUBRG-VXGBXAGGSA-N 0 1 323.353 0.118 20 5 DCBDMN C[C@@]1(CO)C[C@H](O)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001167396170 747158242 /nfs/dbraw/zinc/15/82/42/747158242.db2.gz AFCDFQHAPKFLPY-XPTSAGLGSA-N 0 1 320.305 0.429 20 5 DCBDMN O=C(N[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1)c1cnn[nH]1 ZINC001059458194 749197863 /nfs/dbraw/zinc/19/78/63/749197863.db2.gz BKMOFUFZUSLCGJ-LJGSYFOKSA-N 0 1 321.272 0.620 20 5 DCBDMN CN(CCN(C)c1ncccc1[N+](=O)[O-])C(=O)Cc1ncn[nH]1 ZINC001105470160 749726003 /nfs/dbraw/zinc/72/60/03/749726003.db2.gz LNJZGTVLKFLMCN-UHFFFAOYSA-N 0 1 319.325 0.245 20 5 DCBDMN Cc1nn(C)c(Cl)c1CNCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126931847 750142703 /nfs/dbraw/zinc/14/27/03/750142703.db2.gz BSJFQOFUDZTDEH-PSASIEDQSA-N 0 1 315.761 0.253 20 5 DCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)C1=COCCC1 ZINC001062688034 754883193 /nfs/dbraw/zinc/88/31/93/754883193.db2.gz XZDRBSDWOVSNCD-VXGBXAGGSA-N 0 1 323.349 0.501 20 5 DCBDMN O=C(Cc1ccc[nH]1)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062988892 755071446 /nfs/dbraw/zinc/07/14/46/755071446.db2.gz GCBSDPJJUANLPY-VXGBXAGGSA-N 0 1 320.349 0.378 20 5 DCBDMN CC/C=C(\C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001055211060 756754149 /nfs/dbraw/zinc/75/41/49/756754149.db2.gz CBEQMPFXAAQZCA-LKBRDWSHSA-N 0 1 321.377 0.925 20 5 DCBDMN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CN(C)CCN1C ZINC000823784651 758273317 /nfs/dbraw/zinc/27/33/17/758273317.db2.gz OFMGAWUKSYROII-GXFFZTMASA-N 0 1 307.354 0.354 20 5 DCBDMN O=C(NCCNCc1csc([N+](=O)[O-])c1)c1cc[n+]([O-])cc1 ZINC001123041284 767919202 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DFSNNFKHNRHHMD-CPCISQLKSA-N 0 1 314.319 0.463 20 5 DCBDMN O=C(NC[C@H](O)COCC1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356637007 415966519 /nfs/dbraw/zinc/96/65/19/415966519.db2.gz SGENRPJFEFVKIQ-ZDUSSCGKSA-N 0 1 310.306 0.818 20 5 DCBDMN O=C(N[C@@H]1CCN(c2ncccc2F)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000153623982 415983673 /nfs/dbraw/zinc/98/36/73/415983673.db2.gz NZOOFHFMDONIFV-MRVPVSSYSA-N 0 1 320.284 0.861 20 5 DCBDMN COCCN1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000298445451 416008392 /nfs/dbraw/zinc/00/83/92/416008392.db2.gz RVEUCTUYMSFTCT-UHFFFAOYSA-N 0 1 307.310 0.899 20 5 DCBDMN COc1cc(C(=O)NCCCc2nc(=O)[nH][nH]2)ccc1[N+](=O)[O-] ZINC000176252803 416121984 /nfs/dbraw/zinc/12/19/84/416121984.db2.gz FAQSEMZAFUTQBE-UHFFFAOYSA-N 0 1 321.293 0.377 20 5 DCBDMN O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000179647268 416190151 /nfs/dbraw/zinc/19/01/51/416190151.db2.gz GAEGCOWVYSFAFP-VIFPVBQESA-N 0 1 315.289 0.853 20 5 DCBDMN 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CCN(CCO)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000184337462 396291593 /nfs/dbraw/zinc/29/15/93/396291593.db2.gz ZQKMNFCCGCYESN-UHFFFAOYSA-N 0 1 317.367 0.187 20 5 DCBDMN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])C[NH+]1CCOCC1 ZINC000184803794 396307122 /nfs/dbraw/zinc/30/71/22/396307122.db2.gz JBXZLLKSTOXMLH-NSHDSACASA-N 0 1 323.349 0.999 20 5 DCBDMN C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H]1C ZINC000184820173 396307969 /nfs/dbraw/zinc/30/79/69/396307969.db2.gz NSUJYFMDLKPGMP-GHMZBOCLSA-N 0 1 323.349 0.828 20 5 DCBDMN C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H]1C ZINC000184820173 396307971 /nfs/dbraw/zinc/30/79/71/396307971.db2.gz NSUJYFMDLKPGMP-GHMZBOCLSA-N 0 1 323.349 0.828 20 5 DCBDMN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1=O ZINC000265667660 396335638 /nfs/dbraw/zinc/33/56/38/396335638.db2.gz WESGASPFBIJTDK-OCCSQVGLSA-N 0 1 323.349 0.497 20 5 DCBDMN Cc1n[nH]c(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000266208531 396350686 /nfs/dbraw/zinc/35/06/86/396350686.db2.gz JETRCWQHAHIHRW-IUCAKERBSA-N 0 1 311.342 0.153 20 5 DCBDMN O=C([O-])C12CC(C1)C[N@@H+]2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000594733692 396503448 /nfs/dbraw/zinc/50/34/48/396503448.db2.gz BWFGGDQVBIUZKX-VTWZXRTESA-N 0 1 322.317 0.884 20 5 DCBDMN NC(=O)CC1(NS(=O)(=O)c2ncccc2[N+](=O)[O-])CCC1 ZINC000594762153 396509232 /nfs/dbraw/zinc/50/92/32/396509232.db2.gz CZVFWYDDRHJHIQ-UHFFFAOYSA-N 0 1 314.323 0.066 20 5 DCBDMN O=C(N[C@H](CO)C[NH+]1CCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000293628762 396621624 /nfs/dbraw/zinc/62/16/24/396621624.db2.gz NCKMGZOMCUAFLL-NSHDSACASA-N 0 1 324.337 0.272 20 5 DCBDMN COC(=O)C[C@H](N)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000584836804 396628396 /nfs/dbraw/zinc/62/83/96/396628396.db2.gz RRJCUIDGALXFIL-VIFPVBQESA-N 0 1 311.294 0.110 20 5 DCBDMN C[C@H]1CNCCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000561239348 396636055 /nfs/dbraw/zinc/63/60/55/396636055.db2.gz DFHCADGODFEDQJ-JTQLQIEISA-N 0 1 306.322 0.031 20 5 DCBDMN O=C(N[C@H]1CC[C@@](O)(C(F)(F)F)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000590426592 396776638 /nfs/dbraw/zinc/77/66/38/396776638.db2.gz IVRNFIHLGOMDOW-CDUCUWFYSA-N 0 1 308.216 0.894 20 5 DCBDMN Cc1nn(C)c(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)c1[N+](=O)[O-] ZINC000564129916 396810881 /nfs/dbraw/zinc/81/08/81/396810881.db2.gz RJZLKGBSKCOHKI-WDEREUQCSA-N 0 1 307.354 0.945 20 5 DCBDMN O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000600529099 396883847 /nfs/dbraw/zinc/88/38/47/396883847.db2.gz BSCGIJYEJKAFMW-LLVKDONJSA-N 0 1 318.333 0.873 20 5 DCBDMN O=C(NCCN1CC[C@@H](O)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000600529099 396883855 /nfs/dbraw/zinc/88/38/55/396883855.db2.gz BSCGIJYEJKAFMW-LLVKDONJSA-N 0 1 318.333 0.873 20 5 DCBDMN CC(C)c1n[nH]c(C(=O)NCCN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600537079 396887482 /nfs/dbraw/zinc/88/74/82/396887482.db2.gz WSNVMSWQAQZVEU-SECBINFHSA-N 0 1 311.342 0.238 20 5 DCBDMN CC(C)c1n[n-]c(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600537079 396887488 /nfs/dbraw/zinc/88/74/88/396887488.db2.gz WSNVMSWQAQZVEU-SECBINFHSA-N 0 1 311.342 0.238 20 5 DCBDMN CC(C)c1n[n-]c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600537079 396887493 /nfs/dbraw/zinc/88/74/93/396887493.db2.gz WSNVMSWQAQZVEU-SECBINFHSA-N 0 1 311.342 0.238 20 5 DCBDMN O=C(NCCN1CC[C@H](O)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000600805904 396945922 /nfs/dbraw/zinc/94/59/22/396945922.db2.gz BSCGIJYEJKAFMW-NSHDSACASA-N 0 1 318.333 0.873 20 5 DCBDMN CC(=O)NC[C@H]1CCCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000600813457 396949566 /nfs/dbraw/zinc/94/95/66/396949566.db2.gz XDXWARACNMKFHN-SNVBAGLBSA-N 0 1 309.326 0.757 20 5 DCBDMN Cn1cnc([N+](=O)[O-])c1NC1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000601176123 397016681 /nfs/dbraw/zinc/01/66/81/397016681.db2.gz GHNNNMDTZVKUAF-LLVKDONJSA-N 0 1 322.369 0.435 20 5 DCBDMN Cn1ccnc1[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000572871136 397106122 /nfs/dbraw/zinc/10/61/22/397106122.db2.gz ZQNZEPRQVVHZIM-CHWSQXEVSA-N 0 1 320.353 0.627 20 5 DCBDMN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC[C@H]1CC[NH2+]C1 ZINC000573801384 397208410 /nfs/dbraw/zinc/20/84/10/397208410.db2.gz PVAASYSCSNVICV-SECBINFHSA-N 0 1 300.340 0.268 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CC[C@H](CN3CCCC3=O)C2)c1[N+](=O)[O-] ZINC000598402416 397224243 /nfs/dbraw/zinc/22/42/43/397224243.db2.gz QGDCNDITTSZISV-SNVBAGLBSA-N 0 1 321.337 0.711 20 5 DCBDMN O=[N+]([O-])c1ccc(N2CCC(O)(CN3CCOCC3)CC2)nc1 ZINC000364721568 397238694 /nfs/dbraw/zinc/23/86/94/397238694.db2.gz KUUJORWGOKYCQV-UHFFFAOYSA-N 0 1 322.365 0.653 20 5 DCBDMN Cc1nc(CN2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)oc1C ZINC000364743704 397242538 /nfs/dbraw/zinc/24/25/38/397242538.db2.gz SDCLLSYSUCHNAR-CHWSQXEVSA-N 0 1 322.365 0.991 20 5 DCBDMN C[C@H](C(=O)NC(N)=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365517629 397289999 /nfs/dbraw/zinc/28/99/99/397289999.db2.gz UFCVONGKHCOOCY-MRVPVSSYSA-N 0 1 310.314 0.012 20 5 DCBDMN Cc1n[nH]c(C(=O)N2CCN3CC(F)(F)C[C@H]3C2)c1[N+](=O)[O-] ZINC000592808037 397256315 /nfs/dbraw/zinc/25/63/15/397256315.db2.gz GFBZPSPLLUFFSR-QMMMGPOBSA-N 0 1 315.280 0.792 20 5 DCBDMN C[C@H](Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-])c1nnc[nH]1 ZINC000598614863 397259674 /nfs/dbraw/zinc/25/96/74/397259674.db2.gz GHNKPRHPPJZERF-QMMMGPOBSA-N 0 1 320.313 0.513 20 5 DCBDMN CC(C)[C@H]1CNCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000599100039 397336047 /nfs/dbraw/zinc/33/60/47/397336047.db2.gz DGTDAXCEUURRAR-SNVBAGLBSA-N 0 1 314.367 0.608 20 5 DCBDMN CC(C)(CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000614008326 397360731 /nfs/dbraw/zinc/36/07/31/397360731.db2.gz LSUPJAABNLYQIY-UHFFFAOYSA-N 0 1 323.349 0.829 20 5 DCBDMN O=C1CCc2cc([N+](=O)[O-])c(NCCN3CC[C@H](O)C3)cc2N1 ZINC000599200177 397360855 /nfs/dbraw/zinc/36/08/55/397360855.db2.gz ZNGHGPSPVIODDH-NSHDSACASA-N 0 1 320.349 0.958 20 5 DCBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCc2[nH]nnc2C1 ZINC000593489935 397374671 /nfs/dbraw/zinc/37/46/71/397374671.db2.gz YXHHXIMJIOKJIP-UHFFFAOYSA-N 0 1 305.269 0.979 20 5 DCBDMN Nc1c(F)c(N2CCN(Cc3nnc[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000593508757 397378152 /nfs/dbraw/zinc/37/81/52/397378152.db2.gz RDGLQNCILJYKAY-UHFFFAOYSA-N 0 1 321.316 0.756 20 5 DCBDMN CCCc1n[nH]c(C(=O)N2CC(N3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000593856145 397457527 /nfs/dbraw/zinc/45/75/27/397457527.db2.gz VWUAZNDFEPBSHY-SNVBAGLBSA-N 0 1 323.353 0.161 20 5 DCBDMN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1COCCN1 ZINC000599940439 397547500 /nfs/dbraw/zinc/54/75/00/397547500.db2.gz QEGNBAPMCPTZGK-ZDUSSCGKSA-N 0 1 322.365 0.767 20 5 DCBDMN CC(C)(C(=O)N[C@H]1CCN(C2CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000608839563 397757471 /nfs/dbraw/zinc/75/74/71/397757471.db2.gz JFVCVGMHQFAPOF-JTQLQIEISA-N 0 1 307.354 0.879 20 5 DCBDMN COc1cc(C(=O)NCc2nn[nH]n2)c([N+](=O)[O-])cc1OC ZINC000609493718 397777201 /nfs/dbraw/zinc/77/72/01/397777201.db2.gz WWQAHCIOBJBTNB-UHFFFAOYSA-N 0 1 308.254 0.055 20 5 DCBDMN CN1CC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1=O ZINC000160482894 158354739 /nfs/dbraw/zinc/35/47/39/158354739.db2.gz AJYPFHHEPNHNGO-MRVPVSSYSA-N 0 1 317.298 0.243 20 5 DCBDMN O=C(CCN1CCc2ncc([N+](=O)[O-])cc2C1)N1CCOCC1 ZINC000332515715 159210109 /nfs/dbraw/zinc/21/01/09/159210109.db2.gz WUNYLSJFXDOKLC-UHFFFAOYSA-N 0 1 320.349 0.597 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCCN(C(C)=O)CC2)c1[N+](=O)[O-] ZINC000407986816 160003858 /nfs/dbraw/zinc/00/38/58/160003858.db2.gz VIURFLPVDQRGCK-UHFFFAOYSA-N 0 1 309.326 0.575 20 5 DCBDMN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2=CC[NH2+]CC2)s1 ZINC000193384519 287060456 /nfs/dbraw/zinc/06/04/56/287060456.db2.gz LSUHGMPSTXGEMO-UHFFFAOYSA-N 0 1 303.365 0.854 20 5 DCBDMN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1COC[C@@H]1O ZINC000352808450 415332270 /nfs/dbraw/zinc/33/22/70/415332270.db2.gz YKADUNYRCRJETJ-YUTCNCBUSA-N 0 1 312.322 0.026 20 5 DCBDMN O=C(NCC[N@@H+]1CCCOCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000275959640 415401797 /nfs/dbraw/zinc/40/17/97/415401797.db2.gz ZUGIEQHDYDFPLG-UHFFFAOYSA-N 0 1 309.322 0.753 20 5 DCBDMN O=C(NCC[N@H+]1CCCOCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000275959640 415401804 /nfs/dbraw/zinc/40/18/04/415401804.db2.gz ZUGIEQHDYDFPLG-UHFFFAOYSA-N 0 1 309.322 0.753 20 5 DCBDMN COC(=O)[C@H]1COCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274738581 415361440 /nfs/dbraw/zinc/36/14/40/415361440.db2.gz YAPVSCSCHPMHEW-LLVKDONJSA-N 0 1 310.262 0.314 20 5 DCBDMN CNC(=O)C(C)(C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000122080266 415827275 /nfs/dbraw/zinc/82/72/75/415827275.db2.gz VXCLNDZUTAEYHQ-UHFFFAOYSA-N 0 1 319.321 0.973 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CCCN(C=O)CC2)c1[N+](=O)[O-] ZINC000294493846 415870750 /nfs/dbraw/zinc/87/07/50/415870750.db2.gz JYHDWQSQLASOCL-UHFFFAOYSA-N 0 1 309.326 0.746 20 5 DCBDMN O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc2[nH]nnc2c1 ZINC000129913495 415914473 /nfs/dbraw/zinc/91/44/73/415914473.db2.gz SATGBSMDTDJJDL-UHFFFAOYSA-N 0 1 301.266 0.493 20 5 DCBDMN COc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCN(C)CC2)c1 ZINC000299190946 416057823 /nfs/dbraw/zinc/05/78/23/416057823.db2.gz OHFBSAAVTPNVCY-UHFFFAOYSA-N 0 1 322.365 0.581 20 5 DCBDMN C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H]1C ZINC000164772946 416019918 /nfs/dbraw/zinc/01/99/18/416019918.db2.gz SPJRLOYWMDHKII-GHMZBOCLSA-N 0 1 323.349 0.828 20 5 DCBDMN C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H]1C ZINC000164772946 416019922 /nfs/dbraw/zinc/01/99/22/416019922.db2.gz SPJRLOYWMDHKII-GHMZBOCLSA-N 0 1 323.349 0.828 20 5 DCBDMN Cc1cccc(C(=O)NCCCc2nc(=O)[nH][nH]2)c1[N+](=O)[O-] ZINC000174586539 416081630 /nfs/dbraw/zinc/08/16/30/416081630.db2.gz WVVHBRONFSNNCY-UHFFFAOYSA-N 0 1 305.294 0.677 20 5 DCBDMN CC(C)[C@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CCN1C ZINC000357704070 416118682 /nfs/dbraw/zinc/11/86/82/416118682.db2.gz LPVJGJDMXHPGKQ-LLVKDONJSA-N 0 1 307.354 0.865 20 5 DCBDMN Cc1cc(C(=O)NC[C@@H]2CN(C)CCN2C)ccc1[N+](=O)[O-] ZINC000330666790 416226960 /nfs/dbraw/zinc/22/69/60/416226960.db2.gz AXYLBNYYLUJQMP-CYBMUJFWSA-N 0 1 306.366 0.879 20 5 DCBDMN CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000183580084 416247465 /nfs/dbraw/zinc/24/74/65/416247465.db2.gz LQMPRDXBEBBXNH-GFCCVEGCSA-N 0 1 323.349 0.829 20 5 DCBDMN C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000415551513 416347390 /nfs/dbraw/zinc/34/73/90/416347390.db2.gz DQWKUSVLCBHWTI-IUCAKERBSA-N 0 1 324.312 0.881 20 5 DCBDMN CCC[C@@H](O)[C@@H](CO)NCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000419803138 416413122 /nfs/dbraw/zinc/41/31/22/416413122.db2.gz BUCICBRHFIVJKS-ZYHUDNBSSA-N 0 1 314.338 0.921 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCc3n[nH]c(=O)cc3C2)c1[N+](=O)[O-] ZINC000361752175 416489843 /nfs/dbraw/zinc/48/98/43/416489843.db2.gz WAWKSXLJJHBTRH-UHFFFAOYSA-N 0 1 318.293 0.574 20 5 DCBDMN Nc1nccc(C(=O)NCc2n[nH]c(C3CC3)n2)c1[N+](=O)[O-] ZINC000594366350 416560992 /nfs/dbraw/zinc/56/09/92/416560992.db2.gz ODAROXVUYYTQCT-UHFFFAOYSA-N 0 1 303.282 0.498 20 5 DCBDMN CCn1cc(S(=O)(=O)N2CCN[C@H](C)[C@H]2C)c([N+](=O)[O-])n1 ZINC000440806544 416649620 /nfs/dbraw/zinc/64/96/20/416649620.db2.gz HXYZNSFWVOBFKP-RKDXNWHRSA-N 0 1 317.371 0.182 20 5 DCBDMN CNc1nccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)c1[N+](=O)[O-] ZINC000557656065 416746774 /nfs/dbraw/zinc/74/67/74/416746774.db2.gz BFKLVVDIZBMDNF-SNVBAGLBSA-N 0 1 316.321 1.562 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](CNC(N)=O)C2)c1[N+](=O)[O-] ZINC000444032454 416795799 /nfs/dbraw/zinc/79/57/99/416795799.db2.gz POSMEFMOAWKRDP-QMMMGPOBSA-N 0 1 324.341 0.401 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CCN3CCOC[C@H]3C2)c1[N+](=O)[O-] ZINC000408201279 417145518 /nfs/dbraw/zinc/14/55/18/417145518.db2.gz HMOBMXSJBUCUQM-SNVBAGLBSA-N 0 1 323.353 0.598 20 5 DCBDMN O=[N+]([O-])c1ccc(-c2noc(NCCc3nc[nH]n3)n2)cc1 ZINC000433415638 417267166 /nfs/dbraw/zinc/26/71/66/417267166.db2.gz VHWICBLTCBSLPR-UHFFFAOYSA-N 0 1 301.266 1.418 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCc3nc(N)ncc3C2)c1[N+](=O)[O-] ZINC000619129723 417245621 /nfs/dbraw/zinc/24/56/21/417245621.db2.gz LNCLXXGCYJGZBO-UHFFFAOYSA-N 0 1 317.309 0.451 20 5 DCBDMN O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000452376225 417478613 /nfs/dbraw/zinc/47/86/13/417478613.db2.gz YVVQJSZYALGQAR-NSHDSACASA-N 0 1 324.337 0.272 20 5 DCBDMN O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000452376225 417478618 /nfs/dbraw/zinc/47/86/18/417478618.db2.gz YVVQJSZYALGQAR-NSHDSACASA-N 0 1 324.337 0.272 20 5 DCBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CCC(=O)N(C)C1 ZINC000575137509 417514063 /nfs/dbraw/zinc/51/40/63/417514063.db2.gz ZSSBCYAIKICDIQ-JTQLQIEISA-N 0 1 307.306 0.993 20 5 DCBDMN C[C@H](O)CN1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000302387214 230231537 /nfs/dbraw/zinc/23/15/37/230231537.db2.gz HRORRTWAEAKWBU-JTQLQIEISA-N 0 1 306.326 0.140 20 5 DCBDMN CNC(=O)c1cccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000179462323 261113325 /nfs/dbraw/zinc/11/33/25/261113325.db2.gz BWYHQGZWCRRTHA-UHFFFAOYSA-N 0 1 303.278 0.608 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C)C[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000192909840 261139471 /nfs/dbraw/zinc/13/94/71/261139471.db2.gz RXXPYSGVMHPKEB-APPZFPTMSA-N 0 1 309.326 0.606 20 5 DCBDMN C[C@@H](NC(=O)C(=O)N1CCN[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000418774182 262288803 /nfs/dbraw/zinc/28/88/03/262288803.db2.gz CXPNUQTXAYGWTE-GHMZBOCLSA-N 0 1 320.349 0.592 20 5 DCBDMN CCOC(=O)[C@H]1NCC[C@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000422941435 262423967 /nfs/dbraw/zinc/42/39/67/262423967.db2.gz IEZUMFHHMASSCH-RISCZKNCSA-N 0 1 323.349 0.987 20 5 DCBDMN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CCN1C ZINC000489348527 272060388 /nfs/dbraw/zinc/06/03/88/272060388.db2.gz MOSKGUQWNDWMMW-LBPRGKRZSA-N 0 1 307.354 0.984 20 5 DCBDMN CC(C)(O)CN1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342126499 273507618 /nfs/dbraw/zinc/50/76/18/273507618.db2.gz VVALONHWNZSVNG-UHFFFAOYSA-N 0 1 322.365 0.587 20 5 DCBDMN C[C@H](CN(C)C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000344878338 279279515 /nfs/dbraw/zinc/27/95/15/279279515.db2.gz BLQJZWJUZSDDOW-SNVBAGLBSA-N 0 1 301.368 0.964 20 5 DCBDMN CN(CCCOc1ccc([N+](=O)[O-])cc1)CCS(N)(=O)=O ZINC001654693248 1173809005 /nfs/dbraw/zinc/80/90/05/1173809005.db2.gz OKHJTHJSBPNQNZ-UHFFFAOYSA-N 0 1 317.367 0.584 20 5 DCBDMN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CCC[NH2+]C1 ZINC000570964257 333469739 /nfs/dbraw/zinc/46/97/39/333469739.db2.gz KFDNTLQQBQGENL-SECBINFHSA-N 0 1 300.340 0.268 20 5 DCBDMN CC(C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCOCC1 ZINC000159565842 519794897 /nfs/dbraw/zinc/79/48/97/519794897.db2.gz WOPJVLZKZIEBNB-SNVBAGLBSA-N 0 1 311.342 0.405 20 5 DCBDMN COc1cc(CN2CC[C@@H](C(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000157137995 522388677 /nfs/dbraw/zinc/38/86/77/522388677.db2.gz SUGWXTVNGOQMEA-SECBINFHSA-N 0 1 309.322 0.919 20 5 DCBDMN CN(C)CC(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000266999216 524043473 /nfs/dbraw/zinc/04/34/73/524043473.db2.gz CEDREMMIALDFDX-UHFFFAOYSA-N 0 1 324.356 0.940 20 5 DCBDMN C[C@@H]1CNCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000124538263 525091867 /nfs/dbraw/zinc/09/18/67/525091867.db2.gz KGSKUWMXNIMHRY-SNVBAGLBSA-N 0 1 316.321 0.609 20 5 DCBDMN NCC(=O)NCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000124835170 527157707 /nfs/dbraw/zinc/15/77/07/527157707.db2.gz UDCHVQLOPKLPCD-UHFFFAOYSA-N 0 1 308.338 0.109 20 5 DCBDMN CCc1[nH]nc(C(=O)N(CCO)CCCOC)c1[N+](=O)[O-] ZINC000277955933 535997676 /nfs/dbraw/zinc/99/76/76/535997676.db2.gz MALBRQNAONXSHC-UHFFFAOYSA-N 0 1 300.315 0.351 20 5 DCBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC(=O)[O-] ZINC000820775080 598043797 /nfs/dbraw/zinc/04/37/97/598043797.db2.gz KIBJLVOUKXYMCX-UHFFFAOYSA-N 0 1 311.294 0.948 20 5 DCBDMN C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000828439249 601533872 /nfs/dbraw/zinc/53/38/72/601533872.db2.gz HVLRWAQXRFNTIY-SCDSUCTJSA-N 0 1 324.333 0.987 20 5 DCBDMN O=C([O-])C[C@@H]1CSCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000833222050 601886836 /nfs/dbraw/zinc/88/68/36/601886836.db2.gz RSDFSQRFHOQEPW-SECBINFHSA-N 0 1 300.340 0.683 20 5 DCBDMN O=C([O-])NC[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000834226358 605648466 /nfs/dbraw/zinc/64/84/66/605648466.db2.gz WHDSRRIFNNOCPN-SNVBAGLBSA-N 0 1 310.310 0.346 20 5 DCBDMN O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccccc1 ZINC000979406182 660736943 /nfs/dbraw/zinc/73/69/43/660736943.db2.gz ASVDLQQCFFESJZ-FMKGYKFTSA-N 0 1 317.345 0.976 20 5 DCBDMN O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cscn1 ZINC000979565469 660780986 /nfs/dbraw/zinc/78/09/86/660780986.db2.gz GISVDIZOTIQIHC-TURQNECASA-N 0 1 324.362 0.433 20 5 DCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2ncc(C)o2)C1 ZINC000950053415 661020987 /nfs/dbraw/zinc/02/09/87/661020987.db2.gz ZFIBOIXMRKMWSH-VXGBXAGGSA-N 0 1 308.338 0.681 20 5 DCBDMN Cn1cncc1CN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000981137102 661084990 /nfs/dbraw/zinc/08/49/90/661084990.db2.gz MOYRXKAYUJZUCU-CHWSQXEVSA-N 0 1 307.354 0.120 20 5 DCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCCN(Cc1ccon1)C2 ZINC000981764576 661213006 /nfs/dbraw/zinc/21/30/06/661213006.db2.gz SWQPGRHAQADBGL-CHWSQXEVSA-N 0 1 320.349 0.764 20 5 DCBDMN Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)no1 ZINC000972938955 658729565 /nfs/dbraw/zinc/72/95/65/658729565.db2.gz OJUYDGZQOIBGOQ-TURQNECASA-N 0 1 308.294 0.025 20 5 DCBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccsc1 ZINC000973855350 658971796 /nfs/dbraw/zinc/97/17/96/658971796.db2.gz PMXZTPHABKNTSE-LMLFDSFASA-N 0 1 309.347 0.790 20 5 DCBDMN Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000973989326 659118851 /nfs/dbraw/zinc/11/88/51/659118851.db2.gz XPYIVTNUMNZSMP-YVECIDJPSA-N 0 1 318.333 0.432 20 5 DCBDMN Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ns1 ZINC000974073459 659185362 /nfs/dbraw/zinc/18/53/62/659185362.db2.gz PIYXAZXLSVGSAJ-PKIKSRDPSA-N 0 1 324.362 0.494 20 5 DCBDMN Cc1coc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000974115067 659214563 /nfs/dbraw/zinc/21/45/63/659214563.db2.gz IXUULLHQPLZZQO-LMLFDSFASA-N 0 1 307.306 0.630 20 5 DCBDMN COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC[N@@H+](C)CCO)c1 ZINC000894590833 661985190 /nfs/dbraw/zinc/98/51/90/661985190.db2.gz NASUNHKCRFOGME-UHFFFAOYSA-N 0 1 311.338 0.742 20 5 DCBDMN O=[N+]([O-])c1cc2c(cc1CNC[C@H]1COCCO1)OCCO2 ZINC000748819652 662032117 /nfs/dbraw/zinc/03/21/17/662032117.db2.gz LNKPBRRNIIPVHZ-NSHDSACASA-N 0 1 310.306 0.871 20 5 DCBDMN O=C(NCc1ccccc1[N+](=O)[O-])C1CN([C@H]2CCOC2)C1 ZINC000895757239 662212412 /nfs/dbraw/zinc/21/24/12/662212412.db2.gz PPVISCNLANGUPW-ZDUSSCGKSA-N 0 1 305.334 0.932 20 5 DCBDMN CN1CC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000895768479 662213463 /nfs/dbraw/zinc/21/34/63/662213463.db2.gz CLLLEGVYHAKXNY-VIFPVBQESA-N 0 1 305.338 0.901 20 5 DCBDMN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000896556329 662290281 /nfs/dbraw/zinc/29/02/81/662290281.db2.gz PARRCZQJMXPRAU-ZWNOBZJWSA-N 0 1 322.365 0.665 20 5 DCBDMN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000896579841 662295366 /nfs/dbraw/zinc/29/53/66/662295366.db2.gz JCUITAALVRKOMI-RISCZKNCSA-N 0 1 306.366 0.959 20 5 DCBDMN C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C[C@@H]2C1 ZINC000898159579 662941716 /nfs/dbraw/zinc/94/17/16/662941716.db2.gz NVWTYNBZRIAUIS-ZJUUUORDSA-N 0 1 306.322 0.719 20 5 DCBDMN C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C[C@@H]2C1 ZINC000898159579 662941717 /nfs/dbraw/zinc/94/17/17/662941717.db2.gz NVWTYNBZRIAUIS-ZJUUUORDSA-N 0 1 306.322 0.719 20 5 DCBDMN O=C(CC1CCCCC1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000990163244 663010898 /nfs/dbraw/zinc/01/08/98/663010898.db2.gz MTJURTUBVCPYAX-CHWSQXEVSA-N 0 1 309.366 0.949 20 5 DCBDMN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000730080348 663044862 /nfs/dbraw/zinc/04/48/62/663044862.db2.gz BXJLTTUSHKEPML-TZMCWYRMSA-N 0 1 309.366 0.970 20 5 DCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC(N2CCCC2)C1 ZINC000898612906 663099164 /nfs/dbraw/zinc/09/91/64/663099164.db2.gz PIEYLBYGIDTNIQ-UHFFFAOYSA-N 0 1 307.354 0.796 20 5 DCBDMN Cc1c(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000907695363 663712670 /nfs/dbraw/zinc/71/26/70/663712670.db2.gz KXJQDOCNECXHKA-DOMZBBRYSA-N 0 1 307.350 0.975 20 5 DCBDMN Cc1c(CNC(=O)[C@]2(C)C[C@@H](O)CN2C)cccc1[N+](=O)[O-] ZINC000907695363 663712671 /nfs/dbraw/zinc/71/26/71/663712671.db2.gz KXJQDOCNECXHKA-DOMZBBRYSA-N 0 1 307.350 0.975 20 5 DCBDMN O=C(/C=C\c1ccco1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991279346 663934910 /nfs/dbraw/zinc/93/49/10/663934910.db2.gz KOEZFVZYHWOKRF-OPVGQWETSA-N 0 1 305.290 0.285 20 5 DCBDMN O=C(NC1CN(C(=O)c2occ3c2CCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991290664 663951462 /nfs/dbraw/zinc/95/14/62/663951462.db2.gz NCNNAQPWQZKUQT-VXGBXAGGSA-N 0 1 319.317 0.374 20 5 DCBDMN CCc1nc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)o1 ZINC000991289028 663953145 /nfs/dbraw/zinc/95/31/45/663953145.db2.gz VHXGTECRXTUMDR-NXEZZACHSA-N 0 1 322.321 0.151 20 5 DCBDMN Cc1cncc(C)c1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991291152 663954947 /nfs/dbraw/zinc/95/49/47/663954947.db2.gz RISZVMJDCMGRTK-VXGBXAGGSA-N 0 1 318.333 0.304 20 5 DCBDMN O=C(NC1CN(C(=O)c2conc2C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991298305 663974309 /nfs/dbraw/zinc/97/43/09/663974309.db2.gz ZIWNWROASDOANZ-MWLCHTKSSA-N 0 1 320.305 0.158 20 5 DCBDMN CCCc1occc1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991298625 663975425 /nfs/dbraw/zinc/97/54/25/663975425.db2.gz QNGXSHZLGGWHTA-VXGBXAGGSA-N 0 1 321.333 0.838 20 5 DCBDMN Cc1sccc1CC(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991467700 664355676 /nfs/dbraw/zinc/35/56/76/664355676.db2.gz RTTTTWDCFXFTJW-VXGBXAGGSA-N 0 1 323.374 0.591 20 5 DCBDMN O=C(NC1CN(Cc2csc(C3CC3)n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292414 664504599 /nfs/dbraw/zinc/50/45/99/664504599.db2.gz HGBPDAWSVPDCIP-VXGBXAGGSA-N 0 1 322.390 0.986 20 5 DCBDMN Cc1sccc1C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001805661 666100717 /nfs/dbraw/zinc/10/07/17/666100717.db2.gz HVMLVJBGAWXJPS-VXGBXAGGSA-N 0 1 323.374 0.910 20 5 DCBDMN O=C(NC1CCN(Cc2csnn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002782094 666220837 /nfs/dbraw/zinc/22/08/37/666220837.db2.gz HEFCRULZFJZDLB-GHMZBOCLSA-N 0 1 311.367 0.284 20 5 DCBDMN O=C(NC1CCN(C(=O)c2cscn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000945211576 666582764 /nfs/dbraw/zinc/58/27/64/666582764.db2.gz OIHYWTIWBSLBQW-MWLCHTKSSA-N 0 1 324.362 0.529 20 5 DCBDMN O=C(N[C@@H](CN1CCOCC1)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839492395 667749479 /nfs/dbraw/zinc/74/94/79/667749479.db2.gz QNBIGAHGXGCOLN-QLFBSQMISA-N 0 1 319.361 0.841 20 5 DCBDMN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCc2[nH]nnc2C1 ZINC000748363843 667925484 /nfs/dbraw/zinc/92/54/84/667925484.db2.gz RDAMIODCERIHEW-UHFFFAOYSA-N 0 1 318.249 0.820 20 5 DCBDMN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889764666 667993827 /nfs/dbraw/zinc/99/38/27/667993827.db2.gz SUPCNPSILUWLSP-KGLIPLIRSA-N 0 1 320.349 0.661 20 5 DCBDMN CCOC(=O)c1sc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])nc1C ZINC000839699943 668131927 /nfs/dbraw/zinc/13/19/27/668131927.db2.gz HKTBPNPVLGGTBC-HTQZYQBOSA-N 0 1 313.335 0.910 20 5 DCBDMN Cn1cc(CN2CCN(CCCCCO)CC2)c([N+](=O)[O-])n1 ZINC000931491927 669212342 /nfs/dbraw/zinc/21/23/42/669212342.db2.gz HHTGIENXSUURHF-UHFFFAOYSA-N 0 1 311.386 0.609 20 5 DCBDMN C[C@@H](NCc1cc(=O)n(C)c(=O)n1C)c1ccc([N+](=O)[O-])cc1 ZINC000932179133 669329332 /nfs/dbraw/zinc/32/93/32/669329332.db2.gz DMNAVVSFYFKVFG-SNVBAGLBSA-N 0 1 318.333 0.843 20 5 DCBDMN C[C@H](CS(C)(=O)=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158651067 669928152 /nfs/dbraw/zinc/92/81/52/669928152.db2.gz URWRVOWVHUUOJQ-SKDRFNHKSA-N 0 1 302.352 0.651 20 5 DCBDMN Cc1nn(CN2CC[C@H](CC(N)=O)C2)c2ncc([N+](=O)[O-])cc12 ZINC000808227451 670401520 /nfs/dbraw/zinc/40/15/20/670401520.db2.gz FGVVGHZLVKFJBL-SNVBAGLBSA-N 0 1 318.337 0.803 20 5 DCBDMN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840282003 670615684 /nfs/dbraw/zinc/61/56/84/670615684.db2.gz BRZOIKJXDPAPSW-FRRDWIJNSA-N 0 1 306.318 0.942 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCC3(CC2)OCCCO3)c1[N+](=O)[O-] ZINC000818427644 671014037 /nfs/dbraw/zinc/01/40/37/671014037.db2.gz IOTQAKHCUVHTLB-UHFFFAOYSA-N 0 1 310.310 0.996 20 5 DCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(CCc2ccncc2)CC1 ZINC000825100162 671449787 /nfs/dbraw/zinc/44/97/87/671449787.db2.gz WLVCAPGJCQBVOI-ZIAGYGMSSA-N 0 1 304.350 0.434 20 5 DCBDMN COC(=O)[C@@H]1C[C@H](O)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830865333 671644492 /nfs/dbraw/zinc/64/44/92/671644492.db2.gz MDPBAUDZYHZLGN-KWCYVHTRSA-N 0 1 324.333 0.484 20 5 DCBDMN CN1C(=O)Cc2cc(C(=O)COC(=O)[C@@H]3CC3[N+](=O)[O-])ccc21 ZINC000840674947 671898202 /nfs/dbraw/zinc/89/82/02/671898202.db2.gz TVKHXXIQFMGADL-ZYHUDNBSSA-N 0 1 318.285 0.597 20 5 DCBDMN CCOC(=O)C(F)(F)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000841246577 671922787 /nfs/dbraw/zinc/92/27/87/671922787.db2.gz XPWUIVGYWOOTCN-HLTSFMKQSA-N 0 1 306.265 0.745 20 5 DCBDMN CO[C@@H](CS(=O)(=O)NN=c1[nH]cccc1[N+](=O)[O-])C(C)C ZINC000842585055 672019023 /nfs/dbraw/zinc/01/90/23/672019023.db2.gz PUCNKZFSKKITHI-JTQLQIEISA-N 0 1 318.355 0.907 20 5 DCBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1C[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001021861877 693793958 /nfs/dbraw/zinc/79/39/58/693793958.db2.gz BJEFZKZKYGVOOU-AOOOYVTPSA-N 0 1 319.325 0.102 20 5 DCBDMN CN(C(=O)c1ccc[nH]1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000953753509 685818520 /nfs/dbraw/zinc/81/85/20/685818520.db2.gz RZKGNMRUYBSLSQ-DGCLKSJQSA-N 0 1 320.349 0.743 20 5 DCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)Cc2ccco2)C1 ZINC000954240190 685977112 /nfs/dbraw/zinc/97/71/12/685977112.db2.gz ZKLSBVKOJVNYQP-VXGBXAGGSA-N 0 1 307.306 0.157 20 5 DCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C2(C(F)F)CC2)C1 ZINC000954240163 685977145 /nfs/dbraw/zinc/97/71/45/685977145.db2.gz YDUFJGIEVFBUNW-RKDXNWHRSA-N 0 1 317.292 0.366 20 5 DCBDMN Cc1cc(C)c(C(=O)N(C)C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)[nH]1 ZINC000954707277 686103792 /nfs/dbraw/zinc/10/37/92/686103792.db2.gz NBRZLIXLVIGEMK-VXGBXAGGSA-N 0 1 320.349 0.580 20 5 DCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cc(F)c[nH]2)C1 ZINC000967946768 690133705 /nfs/dbraw/zinc/13/37/05/690133705.db2.gz PUJSEDIUTYODIM-ZYHUDNBSSA-N 0 1 324.312 0.492 20 5 DCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ccncc2)C1 ZINC000967950852 690135624 /nfs/dbraw/zinc/13/56/24/690135624.db2.gz YKDRWLWXGSBSFE-CHWSQXEVSA-N 0 1 318.333 0.420 20 5 DCBDMN O=C(CC1CC1)N1CC2(C1)CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001010480163 691290411 /nfs/dbraw/zinc/29/04/11/691290411.db2.gz YTUXYQVISCQLRZ-CHWSQXEVSA-N 0 1 321.377 0.903 20 5 DCBDMN CCc1[nH]ccc1C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011081597 691460229 /nfs/dbraw/zinc/46/02/29/691460229.db2.gz GYZYWYBKKKCBGJ-DGCLKSJQSA-N 0 1 320.349 0.527 20 5 DCBDMN CC1=C(C(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCCO1 ZINC001011112616 691472306 /nfs/dbraw/zinc/47/23/06/691472306.db2.gz WPBUIYDIEGJQLC-CHWSQXEVSA-N 0 1 323.349 0.407 20 5 DCBDMN O=C(N[C@H]([C@H]1CCCO1)C1(CO)CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001570784705 1162621560 /nfs/dbraw/zinc/62/15/60/1162621560.db2.gz PNKRMPIHOGRDCC-ZYHUDNBSSA-N 0 1 324.337 0.758 20 5 DCBDMN Cc1ncc(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001745105542 1157766078 /nfs/dbraw/zinc/76/60/78/1157766078.db2.gz FVBRDUKGAQVLGS-RKDXNWHRSA-N 0 1 312.351 0.305 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1(C(F)F)CC1 ZINC001745308648 1157888271 /nfs/dbraw/zinc/88/82/71/1157888271.db2.gz VJBBTCSGXWYOCG-RKDXNWHRSA-N 0 1 319.308 0.662 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CC(F)(F)F ZINC001745308393 1157889166 /nfs/dbraw/zinc/88/91/66/1157889166.db2.gz OHECUKCCLTZWAL-HTQZYQBOSA-N 0 1 311.260 0.569 20 5 DCBDMN CCN(CCNC(=O)c1ncccc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001745364080 1157912921 /nfs/dbraw/zinc/91/29/21/1157912921.db2.gz YSSDJFZPEZZRHE-MWLCHTKSSA-N 0 1 324.312 0.464 20 5 DCBDMN CCCCOCC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001719983991 1158281296 /nfs/dbraw/zinc/28/12/96/1158281296.db2.gz BLLSGSMHBSJIEB-VXGBXAGGSA-N 0 1 313.354 0.139 20 5 DCBDMN CCc1onc(C)c1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001720089373 1158943217 /nfs/dbraw/zinc/94/32/17/1158943217.db2.gz PUEMVHLVLCELID-RKDXNWHRSA-N 0 1 310.310 0.057 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](c3ncon3)C2)c1[N+](=O)[O-] ZINC001303521006 1159154091 /nfs/dbraw/zinc/15/40/91/1159154091.db2.gz DKIUUMKBEXYBRO-SSDOTTSWSA-N 0 1 306.282 0.893 20 5 DCBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc2ccccc2[nH]1 ZINC001575139046 1163912131 /nfs/dbraw/zinc/91/21/31/1163912131.db2.gz BHYBRZNMTJBODJ-ZWNOBZJWSA-N 0 1 316.317 0.679 20 5 DCBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCCNS(C)(=O)=O ZINC001620773275 1164071251 /nfs/dbraw/zinc/07/12/51/1164071251.db2.gz UUQRKWMSBUWFCX-UHFFFAOYSA-N 0 1 301.368 0.850 20 5 DCBDMN C[C@](N)(C(=O)NC[C@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC001576508196 1164368621 /nfs/dbraw/zinc/36/86/21/1164368621.db2.gz OPTHTJGORNAPPI-LSDHHAIUSA-N 0 1 320.349 0.554 20 5 DCBDMN O=C(CCc1ccco1)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001578760105 1165097243 /nfs/dbraw/zinc/09/72/43/1165097243.db2.gz BBSRJUTZMDYZAP-LYIQGSDWSA-N 0 1 321.333 0.641 20 5 DCBDMN CN(CCc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001579234822 1165246165 /nfs/dbraw/zinc/24/61/65/1165246165.db2.gz GTQWKDONEWZGHL-VXGBXAGGSA-N 0 1 316.321 0.533 20 5 DCBDMN CN1CC[C@H]1CNC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC001584938801 1166386510 /nfs/dbraw/zinc/38/65/10/1166386510.db2.gz PXLSSSQQBRVXHR-JTQLQIEISA-N 0 1 320.305 0.323 20 5 DCBDMN CC1(C)CNC(=O)[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001585119148 1166402562 /nfs/dbraw/zinc/40/25/62/1166402562.db2.gz CMRRSHOKLTWAJI-LLVKDONJSA-N 0 1 317.305 0.726 20 5 DCBDMN C[C@@H]1[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC001590177350 1166801919 /nfs/dbraw/zinc/80/19/19/1166801919.db2.gz CYTOPMBJDVJWRQ-APPZFPTMSA-N 0 1 304.314 0.674 20 5 DCBDMN C[C@@H]1[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[N@H+]1C ZINC001590177350 1166801929 /nfs/dbraw/zinc/80/19/29/1166801929.db2.gz CYTOPMBJDVJWRQ-APPZFPTMSA-N 0 1 304.314 0.674 20 5 DCBDMN C[C@@H]1[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC001590177350 1166801939 /nfs/dbraw/zinc/80/19/39/1166801939.db2.gz CYTOPMBJDVJWRQ-APPZFPTMSA-N 0 1 304.314 0.674 20 5 DCBDMN C[C@@H]1[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC[N@H+]1C ZINC001590177350 1166801949 /nfs/dbraw/zinc/80/19/49/1166801949.db2.gz CYTOPMBJDVJWRQ-APPZFPTMSA-N 0 1 304.314 0.674 20 5 DCBDMN CCCCCNC(=O)[C@@H](C)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001590597744 1166948418 /nfs/dbraw/zinc/94/84/18/1166948418.db2.gz CDBMJLHGPXZMQT-MRVPVSSYSA-N 0 1 322.329 0.839 20 5 DCBDMN Cc1nc(CCn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)cs1 ZINC001592359384 1167503630 /nfs/dbraw/zinc/50/36/30/1167503630.db2.gz GHOIHCNZSGMZQF-UHFFFAOYSA-N 0 1 306.311 0.979 20 5 DCBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1c[nH]nc1-c1nn[nH]n1 ZINC001592919666 1167665288 /nfs/dbraw/zinc/66/52/88/1167665288.db2.gz KPWWUKHBYZNGRF-UHFFFAOYSA-N 0 1 314.265 0.679 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCO[C@@H](c3ccnn3C)C2)c1[N+](=O)[O-] ZINC001598156091 1168017882 /nfs/dbraw/zinc/01/78/82/1168017882.db2.gz VDTWOOCVWLMZMW-SNVBAGLBSA-N 0 1 320.309 0.574 20 5 DCBDMN Cn1cc(C[N@H+]2CCSC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])n1 ZINC001600952968 1168530722 /nfs/dbraw/zinc/53/07/22/1168530722.db2.gz KGYSSODHOVXFPJ-SECBINFHSA-N 0 1 300.340 0.578 20 5 DCBDMN CCC[C@H](C(=O)OCC)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001604128650 1169501565 /nfs/dbraw/zinc/50/15/65/1169501565.db2.gz XQBFCJIKZKHCBF-SSDOTTSWSA-N 0 1 309.286 0.876 20 5 DCBDMN O=[N+]([O-])c1cn(Cc2nnsc2Cl)nc1-c1nn[nH]n1 ZINC001607086471 1170384340 /nfs/dbraw/zinc/38/43/40/1170384340.db2.gz LWSDNJSNQCEINO-UHFFFAOYSA-N 0 1 313.690 0.525 20 5 DCBDMN CNC(=O)[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001610139931 1171173060 /nfs/dbraw/zinc/17/30/60/1171173060.db2.gz ZFEPSUXAQHHLNK-JTQLQIEISA-N 0 1 307.306 0.861 20 5 DCBDMN COc1c(O)ccc(CNCCN2CCNC2=O)c1[N+](=O)[O-] ZINC001621526659 1171411964 /nfs/dbraw/zinc/41/19/64/1171411964.db2.gz XJFKEOMBRGFJDS-UHFFFAOYSA-N 0 1 310.310 0.424 20 5 DCBDMN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CCc2nc[nH]c2C1 ZINC001625689004 1171477442 /nfs/dbraw/zinc/47/74/42/1171477442.db2.gz NWZYZTWXMYDIRR-VIFPVBQESA-N 0 1 317.305 0.153 20 5 DCBDMN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H](O)c1cnc[nH]1 ZINC001634630770 1171681011 /nfs/dbraw/zinc/68/10/11/1171681011.db2.gz KXLLWPVEHVBVPT-NSHDSACASA-N 0 1 308.269 0.849 20 5 DCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H](C)c2nn[nH]n2)n1 ZINC001638042259 1171784904 /nfs/dbraw/zinc/78/49/04/1171784904.db2.gz OWODYOJXMOHLTL-ZETCQYMHSA-N 0 1 308.302 0.200 20 5 DCBDMN Cc1nc(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)n[nH]1 ZINC001640089304 1171865532 /nfs/dbraw/zinc/86/55/32/1171865532.db2.gz HMSUSEMQMXRSMF-UHFFFAOYSA-N 0 1 319.306 0.956 20 5 DCBDMN CC(C)(CCN1CCOCC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001641029590 1171902722 /nfs/dbraw/zinc/90/27/22/1171902722.db2.gz DQFFTLCHBSAMAT-UHFFFAOYSA-N 0 1 311.342 0.549 20 5 DCBDMN CC(C)(NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1c[nH]nn1 ZINC001642461650 1171947202 /nfs/dbraw/zinc/94/72/02/1171947202.db2.gz WDZAURKBOFVQHH-NSHDSACASA-N 0 1 305.294 0.798 20 5 DCBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H]1CO ZINC001644650816 1172013359 /nfs/dbraw/zinc/01/33/59/1172013359.db2.gz OQSDRCHEWPWSJS-NSHDSACASA-N 0 1 307.306 0.959 20 5 DCBDMN C[C@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CCS1(=O)=O ZINC001645297424 1172034871 /nfs/dbraw/zinc/03/48/71/1172034871.db2.gz VSNBYDZNSCAAOH-BQBZGAKWSA-N 0 1 302.312 0.013 20 5 DCBDMN C[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CCS1(=O)=O ZINC001645297427 1172035171 /nfs/dbraw/zinc/03/51/71/1172035171.db2.gz VSNBYDZNSCAAOH-RQJHMYQMSA-N 0 1 302.312 0.013 20 5 DCBDMN COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001648429003 1173075183 /nfs/dbraw/zinc/07/51/83/1173075183.db2.gz TUIYSRLPCXYRFG-NQMVMOMDSA-N 0 1 308.294 0.286 20 5 DCBDMN C[C@@H]1CC=CC[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001657354879 1173911100 /nfs/dbraw/zinc/91/11/00/1173911100.db2.gz ATHYXYUIKKNHHB-RKDXNWHRSA-N 0 1 300.340 0.961 20 5 DCBDMN Cc1cncc([N+](=O)[O-])c1NC(=O)NCCN1CCN(C)CC1 ZINC001660510853 1174003408 /nfs/dbraw/zinc/00/34/08/1174003408.db2.gz SPTQIVHJWGAMAL-UHFFFAOYSA-N 0 1 322.369 0.089 20 5 DCBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](O)CS(C)(=O)=O ZINC001663378491 1174293162 /nfs/dbraw/zinc/29/31/62/1174293162.db2.gz OOSOGQBNTIKLCO-NSHDSACASA-N 0 1 316.379 0.707 20 5 DCBDMN Cc1ccc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])o1 ZINC001665297339 1174501527 /nfs/dbraw/zinc/50/15/27/1174501527.db2.gz OICAMLSHZTZMJP-UHFFFAOYSA-N 0 1 300.296 0.708 20 5 DCBDMN NC(=O)C(=O)NCC1(NCc2ccccc2[N+](=O)[O-])CCCC1 ZINC001666783296 1174635456 /nfs/dbraw/zinc/63/54/56/1174635456.db2.gz VWXZBPTYNIVUCN-UHFFFAOYSA-N 0 1 320.349 0.599 20 5 DCBDMN O=C(NCCN1CC[C@H](O)C1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001671785551 1175035860 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COCCN1CC[C@@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001543837618 1012527961 /nfs/dbraw/zinc/52/79/61/1012527961.db2.gz NEJOBQYCCPIVDM-SNVBAGLBSA-N 0 1 309.326 0.023 20 5 DCBDMN COCCN1CC[C@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001543837617 1012528650 /nfs/dbraw/zinc/52/86/50/1012528650.db2.gz NEJOBQYCCPIVDM-JTQLQIEISA-N 0 1 309.326 0.023 20 5 DCBDMN COC(C)(C)[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001475709833 1017141041 /nfs/dbraw/zinc/14/10/41/1017141041.db2.gz MFIJAGAMYOKZPR-SSDOTTSWSA-N 0 1 306.344 0.420 20 5 DCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@H]3CCC[C@H]32)n1 ZINC001475771957 1017153515 /nfs/dbraw/zinc/15/35/15/1017153515.db2.gz HBFMPVATGZPEOG-IWSPIJDZSA-N 0 1 300.340 0.795 20 5 DCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1ccco1 ZINC001501146656 1018919451 /nfs/dbraw/zinc/91/94/51/1018919451.db2.gz RHTFUQOWBWBWQW-VXGBXAGGSA-N 0 1 309.322 0.404 20 5 DCBDMN Cc1cnc(CN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)cn1 ZINC001493370978 1019366982 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CN(C)C(=O)NCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000179581195 199058562 /nfs/dbraw/zinc/05/85/62/199058562.db2.gz KYVOCOAZSPOAOL-UHFFFAOYSA-N 0 1 320.309 0.472 20 5 DCBDMN CC[C@@H](C)N(CC(=O)OC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000281527734 216362887 /nfs/dbraw/zinc/36/28/87/216362887.db2.gz ZUJFIQGISVKLRE-ZYHUDNBSSA-N 0 1 314.342 0.426 20 5 DCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H](c3nc[nH]n3)C2)c1 ZINC000425217353 240317631 /nfs/dbraw/zinc/31/76/31/240317631.db2.gz USYANFZWBCLYQE-SECBINFHSA-N 0 1 323.334 0.891 20 5 DCBDMN C[C@@H](O)[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569096929 291461397 /nfs/dbraw/zinc/46/13/97/291461397.db2.gz VPOPAPPKCLCEKU-NXEZZACHSA-N 0 1 302.352 0.727 20 5 DCBDMN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCN(C)C ZINC000094779969 193397076 /nfs/dbraw/zinc/39/70/76/193397076.db2.gz QTCQZJXRZVCDOL-UHFFFAOYSA-N 0 1 305.331 0.882 20 5 DCBDMN C[C@@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000571539998 291520247 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0.744 20 5 DCBDMN C[C@@H](NCC(=O)N1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294776507 533346612 /nfs/dbraw/zinc/34/66/12/533346612.db2.gz NMFYTFFBZFFLBS-SNVBAGLBSA-N 0 1 308.338 0.686 20 5 DCBDMN CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000285717983 131196362 /nfs/dbraw/zinc/19/63/62/131196362.db2.gz DDLMUKJHKYDUNM-APPZFPTMSA-N 0 1 300.315 0.206 20 5 DCBDMN C[C@H](CS(C)(=O)=O)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272556363 395899008 /nfs/dbraw/zinc/89/90/08/395899008.db2.gz PYZQWFNLUDGQFF-SSDOTTSWSA-N 0 1 302.308 0.463 20 5 DCBDMN COC(=O)[C@H](CC(F)(F)F)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000274317662 395939046 /nfs/dbraw/zinc/93/90/46/395939046.db2.gz WITVNSNRUFQWFW-BYPYZUCNSA-N 0 1 310.188 0.542 20 5 DCBDMN C[C@@H](O)C[C@H]1COCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274720064 395970091 /nfs/dbraw/zinc/97/00/91/395970091.db2.gz AINARZPPKINCNT-SKDRFNHKSA-N 0 1 310.306 0.912 20 5 DCBDMN COc1ccc(CNC(=O)C[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000262220656 396112128 /nfs/dbraw/zinc/11/21/28/396112128.db2.gz PBYIMIDHLYJAKS-NSHDSACASA-N 0 1 309.322 0.598 20 5 DCBDMN CNC(=O)[C@]1(C)CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000281882950 396246464 /nfs/dbraw/zinc/24/64/64/396246464.db2.gz SHNOKLNOIADSLZ-CQSZACIVSA-N 0 1 307.306 0.899 20 5 DCBDMN CN1CC[NH+](CCCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000183320723 396266455 /nfs/dbraw/zinc/26/64/55/396266455.db2.gz ATIOZMXOSFCLJL-UHFFFAOYSA-N 0 1 322.365 0.668 20 5 DCBDMN CCCc1[nH]nc(C(=O)N(C)CCOCCO)c1[N+](=O)[O-] ZINC000282266158 396275870 /nfs/dbraw/zinc/27/58/70/396275870.db2.gz WVMKSXLNVWCRBA-UHFFFAOYSA-N 0 1 300.315 0.351 20 5 DCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](CCO)c2ccco2)c1 ZINC000185091098 396316840 /nfs/dbraw/zinc/31/68/40/396316840.db2.gz CIIGJVOKEJWKTC-RYUDHWBXSA-N 0 1 310.310 0.459 20 5 DCBDMN CCc1[nH]nc(C(=O)N(C)C[C@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC000186144454 396342453 /nfs/dbraw/zinc/34/24/53/396342453.db2.gz JZELZLIUFMCNDE-LURJTMIESA-N 0 1 310.232 0.876 20 5 DCBDMN CC(C)N1C(=O)C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1=O ZINC000269291462 396404520 /nfs/dbraw/zinc/40/45/20/396404520.db2.gz PXEXEKQUDSSBQA-NSHDSACASA-N 0 1 321.289 0.566 20 5 DCBDMN C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@@H](C)C1 ZINC000193144563 396445027 /nfs/dbraw/zinc/44/50/27/396445027.db2.gz FBLCTMBSKPAJQP-WDEREUQCSA-N 0 1 323.349 0.828 20 5 DCBDMN C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@@H](C)C1 ZINC000193144563 396445031 /nfs/dbraw/zinc/44/50/31/396445031.db2.gz FBLCTMBSKPAJQP-WDEREUQCSA-N 0 1 323.349 0.828 20 5 DCBDMN Cc1c(CC(=O)NC[C@@H]2CN(C)CCN2C)cccc1[N+](=O)[O-] ZINC000269744170 396442032 /nfs/dbraw/zinc/44/20/32/396442032.db2.gz WWQBSBPWNMXQDI-CQSZACIVSA-N 0 1 320.393 0.808 20 5 DCBDMN CNC(=O)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000188143117 396379519 /nfs/dbraw/zinc/37/95/19/396379519.db2.gz BNJFDFVOJVRESA-UHFFFAOYSA-N 0 1 304.266 0.455 20 5 DCBDMN O=C([O-])C12CC(C1)C[N@@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000594734203 396503331 /nfs/dbraw/zinc/50/33/31/396503331.db2.gz SEHAMCSFIBEJNV-JYHUIVOISA-N 0 1 322.317 0.884 20 5 DCBDMN O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193412231 396450536 /nfs/dbraw/zinc/45/05/36/396450536.db2.gz BLPATOMWMAZVLK-VIFPVBQESA-N 0 1 306.322 0.910 20 5 DCBDMN O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193412231 396450539 /nfs/dbraw/zinc/45/05/39/396450539.db2.gz BLPATOMWMAZVLK-VIFPVBQESA-N 0 1 306.322 0.910 20 5 DCBDMN O=[N+]([O-])c1cccnc1N1CCN(CCc2c[nH]nn2)CC1 ZINC000595523045 396623480 /nfs/dbraw/zinc/62/34/80/396623480.db2.gz GNQRCLNZUVVNMK-UHFFFAOYSA-N 0 1 303.326 0.473 20 5 DCBDMN O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588863674 396695792 /nfs/dbraw/zinc/69/57/92/396695792.db2.gz TVHNYYBODABGLJ-NEPJUHHUSA-N 0 1 321.333 0.582 20 5 DCBDMN COC(=O)Cn1cc(CNCCc2cccc([N+](=O)[O-])c2)nn1 ZINC000295559141 396700991 /nfs/dbraw/zinc/70/09/91/396700991.db2.gz ZANAQXGBWYVQGX-UHFFFAOYSA-N 0 1 319.321 0.692 20 5 DCBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCOCCF)cc1 ZINC000596070874 396714092 /nfs/dbraw/zinc/71/40/92/396714092.db2.gz UGJDMLNEARNETL-UHFFFAOYSA-N 0 1 320.342 0.944 20 5 DCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000304309265 396730365 /nfs/dbraw/zinc/73/03/65/396730365.db2.gz JWAZYNPMLQMEAR-RDBSUJKOSA-N 0 1 310.354 0.796 20 5 DCBDMN Cc1n[nH]c(C(=O)N2CCC(N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000600105308 396738786 /nfs/dbraw/zinc/73/87/86/396738786.db2.gz KDPUGCUNYDSFJW-UHFFFAOYSA-N 0 1 323.353 0.563 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000610687415 396750070 /nfs/dbraw/zinc/75/00/70/396750070.db2.gz GWBDDHJAEFEHPT-VHSXEESVSA-N 0 1 310.310 0.646 20 5 DCBDMN CC[C@@H](CO)[NH+]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000563716747 396772497 /nfs/dbraw/zinc/77/24/97/396772497.db2.gz NIILZZYSGLKHHK-JTQLQIEISA-N 0 1 324.337 0.581 20 5 DCBDMN COc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[C@H](O)C2)c1 ZINC000600808150 396946742 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CCc1[nH]nc(C(=O)N2CC[C@@H](C(=O)OC)[C@@H]2C)c1[N+](=O)[O-] ZINC000349078166 254272236 /nfs/dbraw/zinc/27/22/36/254272236.db2.gz FKIVXIQHOVCNGI-JGVFFNPUSA-N 0 1 310.310 0.904 20 5 DCBDMN O=[N+]([O-])c1ccc(CNC[C@@H]2CS(=O)(=O)CCO2)cc1 ZINC000350781906 254325644 /nfs/dbraw/zinc/32/56/44/254325644.db2.gz RFTGVBPCGLYCRH-GFCCVEGCSA-N 0 1 300.336 0.498 20 5 DCBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H](O)C(F)F ZINC000336843389 296512453 /nfs/dbraw/zinc/51/24/53/296512453.db2.gz WVYCJVBXUOCTRF-ZETCQYMHSA-N 0 1 314.241 0.638 20 5 DCBDMN CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000271242039 395850201 /nfs/dbraw/zinc/85/02/01/395850201.db2.gz FHNBYAFETWRSHD-LLVKDONJSA-N 0 1 308.338 0.276 20 5 DCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)NCc1ccco1 ZINC000123331567 395893457 /nfs/dbraw/zinc/89/34/57/395893457.db2.gz KMYUWDGJPPMIKG-SSDOTTSWSA-N 0 1 307.266 0.346 20 5 DCBDMN Cc1nc2n(n1)C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)CC2 ZINC000272535792 395898370 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CNC(=O)[C@@H](C)CN(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000176385615 396155105 /nfs/dbraw/zinc/15/51/05/396155105.db2.gz DLSJICHTBONETJ-VIFPVBQESA-N 0 1 308.338 0.508 20 5 DCBDMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000279159815 396155242 /nfs/dbraw/zinc/15/52/42/396155242.db2.gz FUQZEVWNSRZFDH-SNVBAGLBSA-N 0 1 323.353 0.643 20 5 DCBDMN CCC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(N)=O ZINC000285494298 396350373 /nfs/dbraw/zinc/35/03/73/396350373.db2.gz XBAFQJIXLBWIBK-QMMMGPOBSA-N 0 1 319.314 0.666 20 5 DCBDMN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000288625865 396447946 /nfs/dbraw/zinc/44/79/46/396447946.db2.gz WDIJCNCQBLXCPY-LLVKDONJSA-N 0 1 322.365 0.754 20 5 DCBDMN Cc1noc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000595304798 396584160 /nfs/dbraw/zinc/58/41/60/396584160.db2.gz CNGRXNSKVBMPGZ-VXGBXAGGSA-N 0 1 310.354 0.922 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCOC[C@H]2CCOC)c1[N+](=O)[O-] ZINC000292388905 396547738 /nfs/dbraw/zinc/54/77/38/396547738.db2.gz ZPRNSQZDYQNTMP-SECBINFHSA-N 0 1 312.326 0.758 20 5 DCBDMN O=C1C[C@H](CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CN1 ZINC000595524646 396623269 /nfs/dbraw/zinc/62/32/69/396623269.db2.gz ZFABFKQREAJCJA-NSHDSACASA-N 0 1 305.338 0.248 20 5 DCBDMN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000586757894 396663425 /nfs/dbraw/zinc/66/34/25/396663425.db2.gz ZLASTOBENYGNGA-NSHDSACASA-N 0 1 323.353 0.645 20 5 DCBDMN Cn1c2cc(NCCc3nc[nH]n3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587996922 396674199 /nfs/dbraw/zinc/67/41/99/396674199.db2.gz BLULUVXHJQPYBD-UHFFFAOYSA-N 0 1 317.309 0.558 20 5 DCBDMN Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2CCCc3nn[nH]c32)n1 ZINC000596001355 396707283 /nfs/dbraw/zinc/70/72/83/396707283.db2.gz DERVPTRQWQFLQI-LURJTMIESA-N 0 1 316.281 0.965 20 5 DCBDMN CC(C)(CO)N1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596129133 396721460 /nfs/dbraw/zinc/72/14/60/396721460.db2.gz NSUXVHDCVLRLNA-UHFFFAOYSA-N 0 1 322.365 0.587 20 5 DCBDMN NC(=O)c1ccc(CN2CCc3cn[nH]c3C2)c([N+](=O)[O-])c1 ZINC000611008797 396801669 /nfs/dbraw/zinc/80/16/69/396801669.db2.gz KXJJJTGGYBCHCC-UHFFFAOYSA-N 0 1 301.306 0.975 20 5 DCBDMN COc1cc(C(=O)NCCN2CC[C@H](O)C2)cc([N+](=O)[O-])c1C ZINC000600808102 396945970 /nfs/dbraw/zinc/94/59/70/396945970.db2.gz HUSRRYLHIMNBFQ-LBPRGKRZSA-N 0 1 323.349 0.708 20 5 DCBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2cccnn2)c1 ZINC000571434107 396951490 /nfs/dbraw/zinc/95/14/90/396951490.db2.gz UCQBQIJOSOKTCL-CYBMUJFWSA-N 0 1 304.306 0.914 20 5 DCBDMN NC(=O)[C@]1(NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000572175394 397030442 /nfs/dbraw/zinc/03/04/42/397030442.db2.gz IMBIYYLKSDWDKN-AWEZNQCLSA-N 0 1 322.321 0.157 20 5 DCBDMN COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000619452902 397132570 /nfs/dbraw/zinc/13/25/70/397132570.db2.gz SDVXRBXQJRJHKI-BQBZGAKWSA-N 0 1 300.246 0.352 20 5 DCBDMN COC(=O)[C@H]1C[C@H](O)CN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000592193624 397119441 /nfs/dbraw/zinc/11/94/41/397119441.db2.gz CNCRQRLWFHRYQD-JQWIXIFHSA-N 0 1 310.306 0.656 20 5 DCBDMN COC(=O)[C@@H]1CNCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000592555647 397213103 /nfs/dbraw/zinc/21/31/03/397213103.db2.gz YMANBGHVFYUGQR-ZDUSSCGKSA-N 0 1 321.333 0.501 20 5 DCBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nn[nH]n1 ZINC000613233328 397224652 /nfs/dbraw/zinc/22/46/52/397224652.db2.gz CCDJELIYYFOTSN-SNVBAGLBSA-N 0 1 304.310 0.993 20 5 DCBDMN O=C1CCCN1[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000574029330 397228805 /nfs/dbraw/zinc/22/88/05/397228805.db2.gz VFJOETPVZRCEIN-GFCCVEGCSA-N 0 1 307.354 0.878 20 5 DCBDMN C[C@@H]1[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)CN1C ZINC000593188438 397336732 /nfs/dbraw/zinc/33/67/32/397336732.db2.gz HFSFOCBOWUOVDK-TUAOUCFPSA-N 0 1 322.365 0.696 20 5 DCBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](n2cncn2)C1 ZINC000614418972 397434787 /nfs/dbraw/zinc/43/47/87/397434787.db2.gz MSKXPMNCBHGSDF-NSHDSACASA-N 0 1 304.310 0.295 20 5 DCBDMN O=C(N[C@@H](CO)CN1CCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000603052671 397558819 /nfs/dbraw/zinc/55/88/19/397558819.db2.gz LZJWORAEHMEJPO-GFCCVEGCSA-N 0 1 311.313 0.920 20 5 DCBDMN O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599936725 397544179 /nfs/dbraw/zinc/54/41/79/397544179.db2.gz BNNLGJUUQSGJGQ-NEPJUHHUSA-N 0 1 321.333 0.582 20 5 DCBDMN CCOC(=O)c1nc(C)[nH]c1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000610231219 397806256 /nfs/dbraw/zinc/80/62/56/397806256.db2.gz DLUZQOKFPKJEDD-UHFFFAOYSA-N 0 1 322.281 0.638 20 5 DCBDMN C[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N(C)C ZINC000610550419 397831877 /nfs/dbraw/zinc/83/18/77/397831877.db2.gz BWBTUHDLYUPHCH-QWRGUYRKSA-N 0 1 307.354 0.953 20 5 DCBDMN CCc1nc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000125740980 158259397 /nfs/dbraw/zinc/25/93/97/158259397.db2.gz MNWIMOSMCMKNAN-UHFFFAOYSA-N 0 1 318.293 0.644 20 5 DCBDMN CCc1n[nH]c(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000125740980 158259400 /nfs/dbraw/zinc/25/94/00/158259400.db2.gz MNWIMOSMCMKNAN-UHFFFAOYSA-N 0 1 318.293 0.644 20 5 DCBDMN O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1[O-] ZINC000324249886 159013715 /nfs/dbraw/zinc/01/37/15/159013715.db2.gz HRRDDZLLICFHOB-MNOVXSKESA-N 0 1 321.333 0.893 20 5 DCBDMN CN1CC[C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000355617832 287185335 /nfs/dbraw/zinc/18/53/35/287185335.db2.gz KGPFWOMICDVJBH-LBPRGKRZSA-N 0 1 313.379 0.761 20 5 DCBDMN COCCN1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000265308237 415129186 /nfs/dbraw/zinc/12/91/86/415129186.db2.gz RCPHUZWKKGKRCR-VIFPVBQESA-N 0 1 311.342 0.419 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000265579995 415129259 /nfs/dbraw/zinc/12/92/59/415129259.db2.gz WIBFKGGHNOMSAY-SFYZADRCSA-N 0 1 316.339 0.274 20 5 DCBDMN COC(CN(CCCO)C(=O)c1n[nH]c(C)c1[N+](=O)[O-])OC ZINC000276226728 415453676 /nfs/dbraw/zinc/45/36/76/415453676.db2.gz MQJAHIGZGFYTJZ-UHFFFAOYSA-N 0 1 316.314 0.070 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000353221112 415480221 /nfs/dbraw/zinc/48/02/21/415480221.db2.gz WVRZMKJFLOXWRJ-RKDXNWHRSA-N 0 1 317.371 0.217 20 5 DCBDMN O=[N+]([O-])c1cccc(N2CCN(CC3(CO)COC3)CC2)c1 ZINC000089103586 415518466 /nfs/dbraw/zinc/51/84/66/415518466.db2.gz QRFCRIZQBZCTKF-UHFFFAOYSA-N 0 1 307.350 0.726 20 5 DCBDMN CC(=O)NC[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000353670682 415619639 /nfs/dbraw/zinc/61/96/39/415619639.db2.gz IPYYVJPIYFKRRQ-CYBMUJFWSA-N 0 1 309.322 0.637 20 5 DCBDMN CN(C)CC(=O)N1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286191464 415624398 /nfs/dbraw/zinc/62/43/98/415624398.db2.gz QWMOCBVEBNHUFN-UHFFFAOYSA-N 0 1 310.329 0.944 20 5 DCBDMN Cc1nc(NCCCN2CCC[C@@H]2C(N)=O)ncc1[N+](=O)[O-] ZINC000297187557 415955522 /nfs/dbraw/zinc/95/55/22/415955522.db2.gz QLGAHXVTNAAACN-SNVBAGLBSA-N 0 1 308.342 0.445 20 5 DCBDMN CC(C)[C@H]1CN(C)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357499967 416089050 /nfs/dbraw/zinc/08/90/50/416089050.db2.gz GDGFBCVUWQLWRX-LLVKDONJSA-N 0 1 307.354 0.865 20 5 DCBDMN CCN1C[C@H](C)N(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000345740820 416142481 /nfs/dbraw/zinc/14/24/81/416142481.db2.gz PLEZMLORSMVFCE-NEPJUHHUSA-N 0 1 324.385 0.915 20 5 DCBDMN CC[C@H]1C(=O)N(CC)CCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000331150298 416274744 /nfs/dbraw/zinc/27/47/44/416274744.db2.gz JEVGFXRGVMJGMI-VIFPVBQESA-N 0 1 309.326 0.709 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCN(CC)C(=O)[C@@H]2CC)c1[N+](=O)[O-] ZINC000331292255 416302695 /nfs/dbraw/zinc/30/26/95/416302695.db2.gz PYRCYAAYLSFGIJ-JTQLQIEISA-N 0 1 323.353 0.963 20 5 DCBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C1 ZINC000352198710 416304905 /nfs/dbraw/zinc/30/49/05/416304905.db2.gz PEUQYNRFKQQDKA-LERXQTSPSA-N 0 1 323.349 0.717 20 5 DCBDMN COC(=O)c1ccnc(NCCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000598625143 416605122 /nfs/dbraw/zinc/60/51/22/416605122.db2.gz OLGIOEVABMYMNY-UHFFFAOYSA-N 0 1 306.282 0.939 20 5 DCBDMN CC1(C)CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1CCO ZINC000614829313 416711757 /nfs/dbraw/zinc/71/17/57/416711757.db2.gz RAIQCXQSDJALNK-UHFFFAOYSA-N 0 1 322.365 0.587 20 5 DCBDMN C[C@@H](O)CN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444679326 416858859 /nfs/dbraw/zinc/85/88/59/416858859.db2.gz ALLJPHCNSAUGNF-LLVKDONJSA-N 0 1 319.365 0.970 20 5 DCBDMN Cc1n[nH]cc1-c1nnc(NC(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000444467690 416845628 /nfs/dbraw/zinc/84/56/28/416845628.db2.gz RJBNJGRLABLYAO-UHFFFAOYSA-N 0 1 320.294 1.120 20 5 DCBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCc2n[nH]nc2C1 ZINC000429298676 416960982 /nfs/dbraw/zinc/96/09/82/416960982.db2.gz FMCIMNXOEOIIEG-JTQLQIEISA-N 0 1 319.321 0.511 20 5 DCBDMN CCc1ccc(C(=O)NCC(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC000519542956 416913593 /nfs/dbraw/zinc/91/35/93/416913593.db2.gz YXTOZWMXMPIPBF-UHFFFAOYSA-N 0 1 320.349 0.319 20 5 DCBDMN COC(=O)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccncc1 ZINC000615834844 416918891 /nfs/dbraw/zinc/91/88/91/416918891.db2.gz LGLAZCHCNHUHIV-SECBINFHSA-N 0 1 319.277 0.747 20 5 DCBDMN Cn1cnc(CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000446508024 416932609 /nfs/dbraw/zinc/93/26/09/416932609.db2.gz ZXEUGVYPRXZLKF-UHFFFAOYSA-N 0 1 315.293 0.572 20 5 DCBDMN [NH3+]CCCOC1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000521620042 417019438 /nfs/dbraw/zinc/01/94/38/417019438.db2.gz GKLQKKVRDLEPMV-UHFFFAOYSA-N 0 1 324.337 0.665 20 5 DCBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CO)[C@H]1CCCO1 ZINC000447900556 417036875 /nfs/dbraw/zinc/03/68/75/417036875.db2.gz CQACBOGSWHCMQP-ZIAGYGMSSA-N 0 1 323.349 0.971 20 5 DCBDMN CN(C(=O)CN[C@@H](CO)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000447904263 417039329 /nfs/dbraw/zinc/03/93/29/417039329.db2.gz PKBUCXAZTSAVNH-UONOGXRCSA-N 0 1 323.349 0.687 20 5 DCBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](CO)[C@H]1CCCO1 ZINC000447918432 417042678 /nfs/dbraw/zinc/04/26/78/417042678.db2.gz BDHSEHYNPMYWLC-WCQYABFASA-N 0 1 323.349 0.971 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)c1[N+](=O)[O-] ZINC000408193337 417147239 /nfs/dbraw/zinc/14/72/39/417147239.db2.gz SAQWDYUGXBXIQP-VHSXEESVSA-N 0 1 322.321 0.837 20 5 DCBDMN C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCC2)O1 ZINC000568981384 417200810 /nfs/dbraw/zinc/20/08/10/417200810.db2.gz RSOBCJJQEXRFET-WCQYABFASA-N 0 1 310.354 0.796 20 5 DCBDMN CC(C)OC[C@@H](CO)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000433164982 417236929 /nfs/dbraw/zinc/23/69/29/417236929.db2.gz GZGOSSJDUPDIJX-CYBMUJFWSA-N 0 1 313.354 0.474 20 5 DCBDMN CCOC[C@H](O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000433358368 417253836 /nfs/dbraw/zinc/25/38/36/417253836.db2.gz AKNYDZUJMCQIQC-SECBINFHSA-N 0 1 308.294 0.598 20 5 DCBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCNCC1 ZINC000415283426 417355056 /nfs/dbraw/zinc/35/50/56/417355056.db2.gz NHXUDENYOQJCLK-UHFFFAOYSA-N 0 1 306.322 0.582 20 5 DCBDMN COC(=O)COc1ccc(CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000355606723 261352968 /nfs/dbraw/zinc/35/29/68/261352968.db2.gz MRMWTBGADHAOJM-UHFFFAOYSA-N 0 1 323.349 0.894 20 5 DCBDMN CC(=O)N[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000420985386 262389483 /nfs/dbraw/zinc/38/94/83/262389483.db2.gz KXMIQKATRGUDBU-TZMCWYRMSA-N 0 1 323.349 0.545 20 5 DCBDMN O=C(NCc1nc(C(F)(F)F)n[nH]1)c1n[nH]cc1[N+](=O)[O-] ZINC000361009569 271169686 /nfs/dbraw/zinc/16/96/86/271169686.db2.gz ROEHGCHORRCXFI-UHFFFAOYSA-N 0 1 305.176 0.385 20 5 DCBDMN CC(C)[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CCN1C ZINC000487074036 272037320 /nfs/dbraw/zinc/03/73/20/272037320.db2.gz AOCRXDQAOGQFTQ-GFCCVEGCSA-N 0 1 307.354 0.865 20 5 DCBDMN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CCN1C ZINC000489348525 272060703 /nfs/dbraw/zinc/06/07/03/272060703.db2.gz MOSKGUQWNDWMMW-GFCCVEGCSA-N 0 1 307.354 0.984 20 5 DCBDMN CCN1CCN([C@@H]2CCN(c3c([N+](=O)[O-])c(C)nn3C)C2)CC1 ZINC000106478499 276198788 /nfs/dbraw/zinc/19/87/88/276198788.db2.gz BGKKWUAMWPKCIB-CYBMUJFWSA-N 0 1 322.413 0.853 20 5 DCBDMN COCCCN(CCO)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000276106080 277205948 /nfs/dbraw/zinc/20/59/48/277205948.db2.gz ZNMWICJIIMKAHR-UHFFFAOYSA-N 0 1 314.342 0.912 20 5 DCBDMN C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)N1CCN(C)CC1 ZINC000302008290 534091647 /nfs/dbraw/zinc/09/16/47/534091647.db2.gz VEZFSEROMFKIAY-NSHDSACASA-N 0 1 319.369 0.685 20 5 DCBDMN CCOC(=O)c1cc(C(=O)N2CCNCC2)cc([N+](=O)[O-])c1 ZINC000236989681 521429054 /nfs/dbraw/zinc/42/90/54/521429054.db2.gz MKQISGRZEIFLCF-UHFFFAOYSA-N 0 1 307.306 0.817 20 5 DCBDMN CN(CC(=O)NCCc1nc[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000267212617 522476907 /nfs/dbraw/zinc/47/69/07/522476907.db2.gz SHJOXVHROFIGKP-UHFFFAOYSA-N 0 1 304.310 0.508 20 5 DCBDMN COCCN1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000267237746 523874379 /nfs/dbraw/zinc/87/43/79/523874379.db2.gz ICEKWOOPJMTWPO-JTQLQIEISA-N 0 1 308.338 0.628 20 5 DCBDMN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])C[NH+]1CCOCC1 ZINC000130508854 524724424 /nfs/dbraw/zinc/72/44/24/524724424.db2.gz JKLCYECMMOCIKH-NSHDSACASA-N 0 1 323.349 0.999 20 5 DCBDMN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCNC[C@H]1C ZINC000124683623 525345828 /nfs/dbraw/zinc/34/58/28/525345828.db2.gz YOSUGXYFFHVISY-GHMZBOCLSA-N 0 1 320.349 0.533 20 5 DCBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000130881002 525380697 /nfs/dbraw/zinc/38/06/97/525380697.db2.gz NBJHWRFNBXLMHF-DTWKUNHWSA-N 0 1 309.326 0.837 20 5 DCBDMN Cc1c(C(=O)N2CCNCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237758890 525585142 /nfs/dbraw/zinc/58/51/42/525585142.db2.gz MTYPZKJZZRGZPN-UHFFFAOYSA-N 0 1 316.321 0.529 20 5 DCBDMN CC(C)(C)[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000331329778 526678572 /nfs/dbraw/zinc/67/85/72/526678572.db2.gz QPQSHVFNZDHVML-STQMWFEESA-N 0 1 312.370 0.899 20 5 DCBDMN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCCc1nc[nH]n1 ZINC000267154318 526967001 /nfs/dbraw/zinc/96/70/01/526967001.db2.gz JCIVAQZOFXCRHI-UHFFFAOYSA-N 0 1 309.257 0.590 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CCN3C(=O)CC[C@H]3C2)c1[N+](=O)[O-] ZINC000331889857 528543512 /nfs/dbraw/zinc/54/35/12/528543512.db2.gz WYOYYVVNNWRXQU-VIFPVBQESA-N 0 1 321.337 0.717 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](OCCOC)C2)c1[N+](=O)[O-] ZINC000275816351 536000681 /nfs/dbraw/zinc/00/06/81/536000681.db2.gz WDNQKNJSQDDEOG-VIFPVBQESA-N 0 1 312.326 0.758 20 5 DCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@H](c2ncon2)C1 ZINC000358091168 546190796 /nfs/dbraw/zinc/19/07/96/546190796.db2.gz AEWIRUOVRCTSLT-NSHDSACASA-N 0 1 320.261 0.897 20 5 DCBDMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000827380332 602391543 /nfs/dbraw/zinc/39/15/43/602391543.db2.gz RFDWAHRQYLAMFQ-SNVBAGLBSA-N 0 1 322.321 0.611 20 5 DCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCC2CC2)c1-c1nn[nH]n1 ZINC000826500168 607582702 /nfs/dbraw/zinc/58/27/02/607582702.db2.gz NLEYVSWFNDSIOY-UHFFFAOYSA-N 0 1 324.322 0.463 20 5 DCBDMN CN(C(=O)[O-])[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000827890023 603844765 /nfs/dbraw/zinc/84/47/65/603844765.db2.gz NRZABZMDAPMXQO-NSHDSACASA-N 0 1 322.321 0.878 20 5 DCBDMN CN(C(=O)[O-])[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000827890023 603844766 /nfs/dbraw/zinc/84/47/66/603844766.db2.gz NRZABZMDAPMXQO-NSHDSACASA-N 0 1 322.321 0.878 20 5 DCBDMN CCN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1C ZINC000825465733 607821727 /nfs/dbraw/zinc/82/17/27/607821727.db2.gz QIBXQHQOAHJTHV-VIFPVBQESA-N 0 1 318.341 0.700 20 5 DCBDMN O=C([O-])NC[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000834221734 605647914 /nfs/dbraw/zinc/64/79/14/605647914.db2.gz TZXLICWOTKMBGX-NSHDSACASA-N 0 1 324.337 0.736 20 5 DCBDMN CC(C)(C)[NH2+]CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000819923072 606706457 /nfs/dbraw/zinc/70/64/57/606706457.db2.gz UZQJDJNVFRWZSH-UHFFFAOYSA-N 0 1 306.330 0.970 20 5 DCBDMN CC(C)(C)[NH2+]CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000819923072 606706458 /nfs/dbraw/zinc/70/64/58/606706458.db2.gz UZQJDJNVFRWZSH-UHFFFAOYSA-N 0 1 306.330 0.970 20 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Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC000973894942 659015936 /nfs/dbraw/zinc/01/59/36/659015936.db2.gz QCDAFRYAOMFHKP-YVECIDJPSA-N 0 1 318.333 0.432 20 5 DCBDMN CCc1ncoc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000974110451 659209219 /nfs/dbraw/zinc/20/92/19/659209219.db2.gz BIUSJXQCYDOUNH-PKIKSRDPSA-N 0 1 322.321 0.279 20 5 DCBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)c3cccs3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976485163 659351215 /nfs/dbraw/zinc/35/12/15/659351215.db2.gz WFXVGGVOMRQBRB-GPTQDWHKSA-N 0 1 321.358 0.600 20 5 DCBDMN CCC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976491072 659359806 /nfs/dbraw/zinc/35/98/06/659359806.db2.gz FAUHJNIGJYOJJH-ZIQFBCGOSA-N 0 1 309.366 0.661 20 5 DCBDMN CC(C)c1ocnc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000999674283 665671770 /nfs/dbraw/zinc/67/17/70/665671770.db2.gz XNEHZZPIYLYTPX-NXEZZACHSA-N 0 1 322.321 0.404 20 5 DCBDMN COC(=O)[C@@H]1CN(C)CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000840500773 661655336 /nfs/dbraw/zinc/65/53/36/661655336.db2.gz XFZAURGWIVMELN-LLVKDONJSA-N 0 1 315.370 0.385 20 5 DCBDMN COc1ccccc1CNC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672357 661810316 /nfs/dbraw/zinc/81/03/16/661810316.db2.gz PGKSKTUOTHLMMF-MVWJERBFSA-N 0 1 322.317 0.908 20 5 DCBDMN CCc1nn(C)c(N[C@H](C)[C@H]2CN(C)CCN2C)c1[N+](=O)[O-] ZINC000895247497 662156153 /nfs/dbraw/zinc/15/61/53/662156153.db2.gz UTZBDABLKWUGQE-ZYHUDNBSSA-N 0 1 310.402 0.937 20 5 DCBDMN CN(CC1CCN(C(=O)C2CC2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000988405062 662767794 /nfs/dbraw/zinc/76/77/94/662767794.db2.gz IAEHHXTXTIZFKJ-CHWSQXEVSA-N 0 1 309.366 0.759 20 5 DCBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000900812264 663283792 /nfs/dbraw/zinc/28/37/92/663283792.db2.gz ULBDKHLYWZSWNI-MFKMUULPSA-N 0 1 322.365 0.665 20 5 DCBDMN O=C(Cc1cccc(F)c1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991285257 663943885 /nfs/dbraw/zinc/94/38/85/663943885.db2.gz BTKNELBNMPJTCN-CHWSQXEVSA-N 0 1 321.308 0.360 20 5 DCBDMN CCc1cnccc1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991291684 663956105 /nfs/dbraw/zinc/95/61/05/663956105.db2.gz XHASJSPWYFQULT-CHWSQXEVSA-N 0 1 318.333 0.250 20 5 DCBDMN Cc1csc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000991294487 663958152 /nfs/dbraw/zinc/95/81/52/663958152.db2.gz FXGRPWFZEADHAZ-NXEZZACHSA-N 0 1 309.347 0.662 20 5 DCBDMN C[C@@H]1CNCCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000911723978 664102956 /nfs/dbraw/zinc/10/29/56/664102956.db2.gz JGEUFKSKVWHDBR-YGRLFVJLSA-N 0 1 318.333 0.908 20 5 DCBDMN COc1nscc1CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030293690 664504356 /nfs/dbraw/zinc/50/43/56/664504356.db2.gz OWKFFGBXEMUUJJ-NXEZZACHSA-N 0 1 312.351 0.117 20 5 DCBDMN O=[N+]([O-])c1cc(CNC(CO)CO)ccc1Br ZINC000087752100 664613190 /nfs/dbraw/zinc/61/31/90/664613190.db2.gz OTSSSJFUIVXOOD-UHFFFAOYSA-N 0 1 305.128 0.800 20 5 DCBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cc2occc2[nH]1 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DCBDMN O=C([O-])[C@H]1C[C@@H](O)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001601769951 1168870311 /nfs/dbraw/zinc/87/03/11/1168870311.db2.gz UBBNDGQEAPYXCP-CMPLNLGQSA-N 0 1 310.306 0.741 20 5 DCBDMN CCC[C@H](C)NC(=O)[C@@H](C)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001604137478 1169502861 /nfs/dbraw/zinc/50/28/61/1169502861.db2.gz OHGCHLSHWXBTFC-JGVFFNPUSA-N 0 1 322.329 0.837 20 5 DCBDMN CN(Cc1cnc[nH]1)c1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001604794353 1169686728 /nfs/dbraw/zinc/68/67/28/1169686728.db2.gz AYXPEVCXUVKEJG-UHFFFAOYSA-N 0 1 301.270 0.529 20 5 DCBDMN CO[C@H](Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1)[C@@H]1CCOC1 ZINC001605013184 1169779520 /nfs/dbraw/zinc/77/95/20/1169779520.db2.gz WCXYZYADOWAUSN-VXNVDRBHSA-N 0 1 309.286 0.023 20 5 DCBDMN Cc1c(Nc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])cnn1C ZINC001605499775 1169940681 /nfs/dbraw/zinc/94/06/81/1169940681.db2.gz DCKFSZLXWOLNLH-UHFFFAOYSA-N 0 1 301.270 0.955 20 5 DCBDMN O=[N+]([O-])c1cn(Cc2cnc3ccccc3n2)nc1-c1nn[nH]n1 ZINC001607086242 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322.365 0.578 20 5 DCBDMN O=C(N[C@H](CO)[C@@H]1CCOC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001631892828 1171604737 /nfs/dbraw/zinc/60/47/37/1171604737.db2.gz ZHZOXCKRZLJULZ-PRHODGIISA-N 0 1 320.305 0.598 20 5 DCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](O)c1cnc[nH]1 ZINC001634632714 1171680901 /nfs/dbraw/zinc/68/09/01/1171680901.db2.gz ZQCXMTPISBOQSJ-SNVBAGLBSA-N 0 1 308.298 0.063 20 5 DCBDMN O=C(N[C@@H](CO)[C@@H]1CCCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001639147049 1171825079 /nfs/dbraw/zinc/82/50/79/1171825079.db2.gz IBFVSWCJGMIFFK-RNCFNFMXSA-N 0 1 310.306 0.818 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](C(=O)N(C)C)C2)c1[N+](=O)[O-] ZINC001642631292 1171952952 /nfs/dbraw/zinc/95/29/52/1171952952.db2.gz WJHMMTONVTWLKN-SECBINFHSA-N 0 1 323.353 0.821 20 5 DCBDMN Cc1ccncc1CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001642856571 1171957930 /nfs/dbraw/zinc/95/79/30/1171957930.db2.gz YLOYAXSKXOZYCW-ZIAGYGMSSA-N 0 1 304.350 0.699 20 5 DCBDMN CCc1[nH]nc(C(=O)N2[C@H](C)CC[C@@H](C(N)=O)[C@@H]2C)c1[N+](=O)[O-] ZINC001643820369 1171987037 /nfs/dbraw/zinc/98/70/37/1171987037.db2.gz CTGKEAWYHSASQG-HRDYMLBCSA-N 0 1 323.353 0.995 20 5 DCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(c2nn[nH]n2)CC1 ZINC001644046006 1171995079 /nfs/dbraw/zinc/99/50/79/1171995079.db2.gz YRCSFBIHNSCZCX-UHFFFAOYSA-N 0 1 320.313 0.019 20 5 DCBDMN COC(=O)[C@]1(O)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001644291294 1172001137 /nfs/dbraw/zinc/00/11/37/1172001137.db2.gz CPGMWSTVNXFYDX-AWEZNQCLSA-N 0 1 310.306 0.583 20 5 DCBDMN Cn1cc([C@@]2(CNC(=O)c3n[nH]cc3[N+](=O)[O-])CCCO2)cn1 ZINC001646420594 1172374568 /nfs/dbraw/zinc/37/45/68/1172374568.db2.gz KUVOUVAAVAUSKW-ZDUSSCGKSA-N 0 1 320.309 0.487 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C3OCCO3)C2)c1[N+](=O)[O-] ZINC001652081066 1173761363 /nfs/dbraw/zinc/76/13/63/1173761363.db2.gz NFXBLQBNMSMFLR-QMMMGPOBSA-N 0 1 310.310 0.715 20 5 DCBDMN CC(C)Oc1nc(NCc2n[nH]c(CO)n2)ccc1[N+](=O)[O-] ZINC001652081735 1173761427 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CCN(CCNCc1cn(C(C)C)nn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001668426994 1174795693 /nfs/dbraw/zinc/79/56/93/1174795693.db2.gz ZYCDEJRFHNLIQX-CHWSQXEVSA-N 0 1 324.385 0.462 20 5 DCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CCC[C@@H]1CO ZINC001669211948 1174910783 /nfs/dbraw/zinc/91/07/83/1174910783.db2.gz ANFUNGNKIGUBMS-RKDXNWHRSA-N 0 1 301.324 0.429 20 5 DCBDMN COCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1CCC1 ZINC001681095303 1175874834 /nfs/dbraw/zinc/87/48/34/1175874834.db2.gz JADKWTINFPRCMG-VXGBXAGGSA-N 0 1 313.354 0.043 20 5 DCBDMN O=C(NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1O ZINC001689234066 1176754976 /nfs/dbraw/zinc/75/49/76/1176754976.db2.gz UHEGNHWPGQUWRO-BLDJZWNYSA-N 0 1 319.317 0.460 20 5 DCBDMN COc1ccc(C(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001689326482 1176828525 /nfs/dbraw/zinc/82/85/25/1176828525.db2.gz RTQAQLZZEJGPOC-HLKOZVMDSA-N 0 1 323.305 0.356 20 5 DCBDMN COCC(C)(C)C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001689598649 1176971258 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CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nn(C)cc1Cl ZINC001713451368 1180829782 /nfs/dbraw/zinc/82/97/82/1180829782.db2.gz HYZIXXPAEKMJHF-LDYMZIIASA-N 0 1 315.761 0.287 20 5 DCBDMN CC(C)c1nc(CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001714536507 1181405809 /nfs/dbraw/zinc/40/58/09/1181405809.db2.gz QGEHIIJOOGDYLQ-NXEZZACHSA-N 0 1 311.342 0.406 20 5 DCBDMN NC(=O)CC(=O)NC/C=C\CNCc1cccc([N+](=O)[O-])c1 ZINC001716278341 1182298885 /nfs/dbraw/zinc/29/88/85/1182298885.db2.gz VQMKGFSGKKPOMZ-UPHRSURJSA-N 0 1 306.322 0.232 20 5 DCBDMN CC(C)N(CCN(C)Cc1cnn(C)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001717947538 1183087063 /nfs/dbraw/zinc/08/70/63/1183087063.db2.gz VITFKAAPIPLTMT-CHWSQXEVSA-N 0 1 324.385 0.149 20 5 DCBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCc1ccoc1 ZINC001720479914 1183624700 /nfs/dbraw/zinc/62/47/00/1183624700.db2.gz GRSRMAUUEACRBQ-CHWSQXEVSA-N 0 1 323.349 0.842 20 5 DCBDMN Cc1cc(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])oc1C ZINC001721078105 1183821327 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PWARDWMQFIJJCH-VXGBXAGGSA-N 0 1 321.377 0.903 20 5 DCBDMN COCCN1CC[C@H](NC(=O)Nc2c(C)cncc2[N+](=O)[O-])C1 ZINC001670514458 1157454150 /nfs/dbraw/zinc/45/41/50/1157454150.db2.gz DWBATAGBEDFZEG-NSHDSACASA-N 0 1 323.353 0.562 20 5 DCBDMN Cc1nsc(C)c1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001720088848 1158942638 /nfs/dbraw/zinc/94/26/38/1158942638.db2.gz LIHCDSWPDGHPQK-RKDXNWHRSA-N 0 1 312.351 0.271 20 5 DCBDMN CCc1cc(C(=O)NCCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001294218910 1159149800 /nfs/dbraw/zinc/14/98/00/1159149800.db2.gz KRDKBXSHCJPHPI-ZYHUDNBSSA-N 0 1 324.337 0.481 20 5 DCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1n[nH]c(C2CC2)n1 ZINC001569577685 1161154456 /nfs/dbraw/zinc/15/44/56/1161154456.db2.gz BDCSAQYKYWRINP-UHFFFAOYSA-N 0 1 319.325 0.802 20 5 DCBDMN CC(C)c1cccc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001575142939 1163915077 /nfs/dbraw/zinc/91/50/77/1163915077.db2.gz WKGCCLPORAATDR-ZWNOBZJWSA-N 0 1 320.349 0.716 20 5 DCBDMN CC(C)c1n[n-]c(C(=O)NC[C@H]2CCC3(C[NH2+]C3)O2)c1[N+](=O)[O-] ZINC001575847943 1164170159 /nfs/dbraw/zinc/17/01/59/1164170159.db2.gz SGZOLLGYLXSISO-SECBINFHSA-N 0 1 323.353 0.692 20 5 DCBDMN C[C@](N)(C(=O)NC[C@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC001576082001 1164233508 /nfs/dbraw/zinc/23/35/08/1164233508.db2.gz RNSATDWTWKFIAD-GXTWGEPZSA-N 0 1 309.322 0.300 20 5 DCBDMN C[C@](N)(C(=O)NC[C@@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC001576508195 1164369064 /nfs/dbraw/zinc/36/90/64/1164369064.db2.gz OPTHTJGORNAPPI-HUUCEWRRSA-N 0 1 320.349 0.554 20 5 DCBDMN Cc1cocc1C(=O)NCCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001577270701 1164655339 /nfs/dbraw/zinc/65/53/39/1164655339.db2.gz DRXAYLUTZKKPPO-ZYHUDNBSSA-N 0 1 309.322 0.832 20 5 DCBDMN CCN(CCNC(=O)c1cnnc(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001581068398 1165782506 /nfs/dbraw/zinc/78/25/06/1165782506.db2.gz BZEAIKPNBGLTJA-VXGBXAGGSA-N 0 1 321.337 0.029 20 5 DCBDMN Cc1conc1C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001583312024 1166242535 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0.996 20 5 DCBDMN Cn1nc(C2CC2)nc1Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001592596094 1167576187 /nfs/dbraw/zinc/57/61/87/1167576187.db2.gz KHXXHXUKNPINFH-UHFFFAOYSA-N 0 1 316.285 0.026 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[C@H](NC(=O)OC)C2)c1[N+](=O)[O-] ZINC001595549903 1167973127 /nfs/dbraw/zinc/97/31/27/1167973127.db2.gz MKSFYDTVAQDUCD-ZETCQYMHSA-N 0 1 311.298 0.451 20 5 DCBDMN Cc1cc(N(C)CC[N@@H+](C)CCO)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600235787 1168142855 /nfs/dbraw/zinc/14/28/55/1168142855.db2.gz RCWOVYHTPMILMG-UHFFFAOYSA-N 0 1 311.338 0.962 20 5 DCBDMN Cc1cc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600241114 1168144147 /nfs/dbraw/zinc/14/41/47/1168144147.db2.gz QTGLYORCGBPNEE-NWDGAFQWSA-N 0 1 321.333 0.857 20 5 DCBDMN COC[C@@](C)([NH3+])CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605044613 1169794042 /nfs/dbraw/zinc/79/40/42/1169794042.db2.gz ORWIDTSEENFRAG-LBPRGKRZSA-N 0 1 307.314 0.551 20 5 DCBDMN COC[C@@](C)([NH3+])CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] 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LRYIWSRJHNGJOI-UHFFFAOYSA-N 0 1 303.278 0.932 20 5 DCBDMN O=C(N[C@@H](CO)[C@@H]1CCOC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001631892827 1171604577 /nfs/dbraw/zinc/60/45/77/1171604577.db2.gz ZHZOXCKRZLJULZ-PELKAZGASA-N 0 1 320.305 0.598 20 5 DCBDMN CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001634487512 1171676721 /nfs/dbraw/zinc/67/67/21/1171676721.db2.gz RAYFXVFEEMIFES-UTUOFQBUSA-N 0 1 307.306 0.809 20 5 DCBDMN COC[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC001634621448 1171680074 /nfs/dbraw/zinc/68/00/74/1171680074.db2.gz GMMILCZBOCJJPK-NSHDSACASA-N 0 1 320.309 0.544 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](O)C[C@@]2(C)CO)c1[N+](=O)[O-] ZINC001641839229 1171929597 /nfs/dbraw/zinc/92/95/97/1171929597.db2.gz BKHGDDSIBHROLS-OQPBUACISA-N 0 1 312.326 0.399 20 5 DCBDMN CCc1n[nH]c(C(=O)N[C@@H](CO)CN2CCCC2)c1[N+](=O)[O-] ZINC001641853165 1171930947 /nfs/dbraw/zinc/93/09/47/1171930947.db2.gz ZANRQADUQJSQMW-SECBINFHSA-N 0 1 311.342 0.067 20 5 DCBDMN 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ZINC001296065283 957890010 /nfs/dbraw/zinc/89/00/10/957890010.db2.gz RZOIGXMCDBODEK-CHWSQXEVSA-N 0 1 322.365 0.508 20 5 DCBDMN Cc1cc(C(=O)N(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC001298033444 958386459 /nfs/dbraw/zinc/38/64/59/958386459.db2.gz FGUGQSUJKNQNKC-NXEZZACHSA-N 0 1 310.310 0.179 20 5 DCBDMN CC(=O)NCC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC001588514931 958787830 /nfs/dbraw/zinc/78/78/30/958787830.db2.gz MZPRFCABWQYSSS-VIFPVBQESA-N 0 1 310.310 0.401 20 5 DCBDMN CC(=O)NCC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC001588514931 958787846 /nfs/dbraw/zinc/78/78/46/958787846.db2.gz MZPRFCABWQYSSS-VIFPVBQESA-N 0 1 310.310 0.401 20 5 DCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCC[C@@H](O)C1CC1 ZINC001309937169 960214710 /nfs/dbraw/zinc/21/47/10/960214710.db2.gz CLDHUVVARQHUJP-SNVBAGLBSA-N 0 1 301.324 0.429 20 5 DCBDMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001332654645 961627061 /nfs/dbraw/zinc/62/70/61/961627061.db2.gz PFJLJKXDTAKAJZ-GFCCVEGCSA-N 0 1 314.342 0.585 20 5 DCBDMN Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001605421024 973443413 /nfs/dbraw/zinc/44/34/13/973443413.db2.gz OBHQMPZMRIGMNJ-ZWNOBZJWSA-N 0 1 310.310 0.133 20 5 DCBDMN Cc1cc(C)c(C(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001528018947 1014174983 /nfs/dbraw/zinc/17/49/83/1014174983.db2.gz LHZKEVZCWUGMPA-GHMZBOCLSA-N 0 1 309.322 0.750 20 5 DCBDMN CCCc1cc(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001528110884 1014208792 /nfs/dbraw/zinc/20/87/92/1014208792.db2.gz MRXNHUPFNLFQOP-ZYHUDNBSSA-N 0 1 324.337 0.481 20 5 DCBDMN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1CCC(=O)[O-] ZINC001594493505 985615278 /nfs/dbraw/zinc/61/52/78/985615278.db2.gz BRWROFBYUPWEJG-JTQLQIEISA-N 0 1 322.321 0.611 20 5 DCBDMN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@H+]1CCC(=O)[O-] ZINC001594493505 985615282 /nfs/dbraw/zinc/61/52/82/985615282.db2.gz BRWROFBYUPWEJG-JTQLQIEISA-N 0 1 322.321 0.611 20 5 DCBDMN CS(=O)(=O)CCc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001526353720 1015258643 /nfs/dbraw/zinc/25/86/43/1015258643.db2.gz OYXBMTADKNGSKZ-VXGBXAGGSA-N 0 1 312.347 0.877 20 5 DCBDMN CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nn[nH]n1 ZINC001532473776 1015350028 /nfs/dbraw/zinc/35/00/28/1015350028.db2.gz LOCJZIHXYNSFLC-UHFFFAOYSA-N 0 1 317.309 0.985 20 5 DCBDMN C[N@@H+]1C[C@H]2CN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001598628968 994145621 /nfs/dbraw/zinc/14/56/21/994145621.db2.gz IKFDXGMKRXCWPA-TXEJJXNPSA-N 0 1 319.317 0.927 20 5 DCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCC23CC3)n1 ZINC001464207650 1015888816 /nfs/dbraw/zinc/88/88/16/1015888816.db2.gz GSOUUHJPTFRGDC-VIFPVBQESA-N 0 1 300.340 0.939 20 5 DCBDMN COC(=O)[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC001598821996 996338578 /nfs/dbraw/zinc/33/85/78/996338578.db2.gz NYPZKYNFIMQDJA-OLZOCXBDSA-N 0 1 322.317 0.943 20 5 DCBDMN COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599276512 996813112 /nfs/dbraw/zinc/81/31/12/996813112.db2.gz BFHJRFDAWFAPBU-VXGBXAGGSA-N 0 1 310.306 0.875 20 5 DCBDMN COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599276512 996813127 /nfs/dbraw/zinc/81/31/27/996813127.db2.gz BFHJRFDAWFAPBU-VXGBXAGGSA-N 0 1 310.306 0.875 20 5 DCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1n[nH]c(C(C)C)n1 ZINC001468366249 1016247163 /nfs/dbraw/zinc/24/71/63/1016247163.db2.gz IZUUDXJTZGMUJX-UHFFFAOYSA-N 0 1 307.314 0.658 20 5 DCBDMN O=C(CNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCOc2ccccc21 ZINC001471843119 1016666697 /nfs/dbraw/zinc/66/66/97/1016666697.db2.gz AIFCSUIBUUKJGL-MWLCHTKSSA-N 0 1 305.290 0.193 20 5 DCBDMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1c[nH]c(C)n1 ZINC001492946343 1003196492 /nfs/dbraw/zinc/19/64/92/1003196492.db2.gz SIEUVFUMFATQGX-ZYHUDNBSSA-N 0 1 323.353 0.352 20 5 DCBDMN Cc1ccoc1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001505945169 1016751199 /nfs/dbraw/zinc/75/11/99/1016751199.db2.gz GRCBCKXYSDIGGJ-NXEZZACHSA-N 0 1 307.306 0.632 20 5 DCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(Cc2ccc(CO)cc2)CC1 ZINC001472957164 1016894297 /nfs/dbraw/zinc/89/42/97/1016894297.db2.gz CLHNJNPJQSTGRD-HUUCEWRRSA-N 0 1 319.361 0.488 20 5 DCBDMN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC001473390244 1016926313 /nfs/dbraw/zinc/92/63/13/1016926313.db2.gz DHXNYBAZUVZGGT-DMDPSCGWSA-N 0 1 307.354 0.686 20 5 DCBDMN CN(CC(C)(C)CNC(=O)c1cocn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001508658558 1016951333 /nfs/dbraw/zinc/95/13/33/1016951333.db2.gz AUOPFVHSVYSMFU-MWLCHTKSSA-N 0 1 324.337 0.554 20 5 DCBDMN O=C(c1cccc([N+](=O)[O-])c1[O-])N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001455302990 1009643555 /nfs/dbraw/zinc/64/35/55/1009643555.db2.gz BJTCLBPVESWINL-WDEREUQCSA-N 0 1 321.333 0.582 20 5 DCBDMN O=C(CCc1ccoc1)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001533445077 1011395069 /nfs/dbraw/zinc/39/50/69/1011395069.db2.gz FDMOBQRYBAFHHY-IKGCNYHESA-N 0 1 321.333 0.666 20 5 DCBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)c2nn[nH]n2)c1 ZINC001557697760 1012288325 /nfs/dbraw/zinc/28/83/25/1012288325.db2.gz RHNDCERQHOFPLU-UHFFFAOYSA-N 0 1 306.282 0.848 20 5 DCBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NC1(c2nn[nH]n2)CCC1 ZINC001558173850 1012332261 /nfs/dbraw/zinc/33/22/61/1012332261.db2.gz WYRSWVXSOHBHIE-UHFFFAOYSA-N 0 1 302.294 0.846 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](c3cn(C)nn3)C2)c1[N+](=O)[O-] ZINC001558766520 1012381937 /nfs/dbraw/zinc/38/19/37/1012381937.db2.gz VTDPVXKNNKGQKI-VIFPVBQESA-N 0 1 319.325 0.775 20 5 DCBDMN COc1ncccc1CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001561111992 1012462796 /nfs/dbraw/zinc/46/27/96/1012462796.db2.gz QAISEWPUGYITKG-UHFFFAOYSA-N 0 1 324.318 0.872 20 5 DCBDMN CCN1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC001564312538 1012520667 /nfs/dbraw/zinc/52/06/67/1012520667.db2.gz BOQNKYVRPVQBQW-LLVKDONJSA-N 0 1 310.358 0.527 20 5 DCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(c2nnc3n2CCCC3)CC1 ZINC001518500998 1017191876 /nfs/dbraw/zinc/19/18/76/1017191876.db2.gz CZILJFBWWHRPFP-VXGBXAGGSA-N 0 1 319.365 0.986 20 5 DCBDMN O=C(CCc1ccco1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001498092511 1018646480 /nfs/dbraw/zinc/64/64/80/1018646480.db2.gz CRSYOOLYXXSEHK-VXGBXAGGSA-N 0 1 307.306 0.204 20 5 DCBDMN O=C(NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccsc1 ZINC001501669175 1019370266 /nfs/dbraw/zinc/37/02/66/1019370266.db2.gz BVNBQYKXYYCHQK-JLVKAVFRSA-N 0 1 309.347 0.816 20 5 DCBDMN O=C(Cc1cncs1)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001501852674 1019521284 /nfs/dbraw/zinc/52/12/84/1019521284.db2.gz SWMHMKOCVZOEAS-COUIAZAYSA-N 0 1 324.362 0.139 20 5 DCBDMN CN1CCN(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000073082633 191277195 /nfs/dbraw/zinc/27/71/95/191277195.db2.gz YMYUDYFRIMCBDR-UHFFFAOYSA-N 0 1 322.365 0.337 20 5 DCBDMN O=C(NCCCOCC1CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000163505918 291246356 /nfs/dbraw/zinc/24/63/56/291246356.db2.gz QNNJPXFGKPWTKG-UHFFFAOYSA-N 0 1 312.326 0.881 20 5 DCBDMN CCOC(=O)c1ccnc(N(C)Cc2n[nH]c(=O)o2)c1[N+](=O)[O-] ZINC000425275648 240327416 /nfs/dbraw/zinc/32/74/16/240327416.db2.gz CIVVJSBWMMNUDM-UHFFFAOYSA-N 0 1 323.265 0.892 20 5 DCBDMN Cn1cc([C@@H](CO)NC[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000275205540 212194880 /nfs/dbraw/zinc/19/48/80/212194880.db2.gz REYFYSZIYOMEHC-KGLIPLIRSA-N 0 1 306.322 0.685 20 5 DCBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN(C)CCN1C ZINC000264816778 204179745 /nfs/dbraw/zinc/17/97/45/204179745.db2.gz ZAEXKQCKSUMOII-ZDUSSCGKSA-N 0 1 306.366 0.879 20 5 DCBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C(=O)CN(C)C)CC1 ZINC000288242279 220038060 /nfs/dbraw/zinc/03/80/60/220038060.db2.gz XCSXLJSGWHDWGI-UHFFFAOYSA-N 0 1 324.385 0.330 20 5 DCBDMN CCCN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CC(=O)N(C)C1=O ZINC000282538356 217072954 /nfs/dbraw/zinc/07/29/54/217072954.db2.gz RFYOOCZUSGAULF-JTQLQIEISA-N 0 1 309.326 0.261 20 5 DCBDMN COC(=O)[C@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000276643730 284360791 /nfs/dbraw/zinc/36/07/91/284360791.db2.gz RKANVYVFNFWOCI-CBAPKCEASA-N 0 1 310.310 0.898 20 5 DCBDMN CNC(=O)CCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000572538914 291574508 /nfs/dbraw/zinc/57/45/08/291574508.db2.gz NEOGZOLSJHSSAC-UHFFFAOYSA-N 0 1 307.354 0.638 20 5 DCBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(C(N)=O)CC1 ZINC000347802982 254192198 /nfs/dbraw/zinc/19/21/98/254192198.db2.gz OBILUQJNHFUEOZ-UHFFFAOYSA-N 0 1 322.321 0.540 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCC(CC(=O)NC)CC2)c1[N+](=O)[O-] ZINC000347993950 254210161 /nfs/dbraw/zinc/21/01/61/254210161.db2.gz RFMNBPKASNHGEL-UHFFFAOYSA-N 0 1 323.353 0.869 20 5 DCBDMN CCc1nn(C)c(N2CCN(C(=O)CN(C)C)CC2)c1[N+](=O)[O-] ZINC000092828423 395733719 /nfs/dbraw/zinc/73/37/19/395733719.db2.gz IBACOTVBVSUUJW-UHFFFAOYSA-N 0 1 324.385 0.101 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](NC(N)=O)C2)c1[N+](=O)[O-] ZINC000270750884 395804414 /nfs/dbraw/zinc/80/44/14/395804414.db2.gz MVXUADBFQGAQRZ-ZETCQYMHSA-N 0 1 310.314 0.324 20 5 DCBDMN COCCN1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000272493868 395894759 /nfs/dbraw/zinc/89/47/59/395894759.db2.gz RYVBTTCORXFFTL-SNVBAGLBSA-N 0 1 308.338 0.628 20 5 DCBDMN C[C@H](CN(C)C(=O)Cc1ccccc1[N+](=O)[O-])c1nn[nH]n1 ZINC000273482523 395924605 /nfs/dbraw/zinc/92/46/05/395924605.db2.gz JBPJYDYXUBFPFV-SECBINFHSA-N 0 1 304.310 0.913 20 5 DCBDMN O=C(N[C@@H](CO)C[C@H](O)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000271417277 395865086 /nfs/dbraw/zinc/86/50/86/395865086.db2.gz FCBVPTXXTWAHGI-PWSUYJOCSA-N 0 1 320.305 0.532 20 5 DCBDMN O=C1NCCCN1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000135404299 395939526 /nfs/dbraw/zinc/93/95/26/395939526.db2.gz RCBWDVCXZMMCQL-UHFFFAOYSA-N 0 1 322.369 0.671 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](N3CCCC3=O)C2)c1[N+](=O)[O-] ZINC000276709137 396023312 /nfs/dbraw/zinc/02/33/12/396023312.db2.gz DDBLOTJCFHGLJM-SECBINFHSA-N 0 1 321.337 0.717 20 5 DCBDMN C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCN1 ZINC000155183118 396047848 /nfs/dbraw/zinc/04/78/48/396047848.db2.gz LJZIOTBJNCJAEO-SECBINFHSA-N 0 1 316.317 0.870 20 5 DCBDMN O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000155649115 396055906 /nfs/dbraw/zinc/05/59/06/396055906.db2.gz JLOIXXGWEUXSMG-SNVBAGLBSA-N 0 1 321.337 0.839 20 5 DCBDMN CC(=O)N1CC[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000155940226 396060324 /nfs/dbraw/zinc/06/03/24/396060324.db2.gz KMFVQEZXFWHDHN-SECBINFHSA-N 0 1 317.305 0.822 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[S@](=O)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000277854437 396090761 /nfs/dbraw/zinc/09/07/61/396090761.db2.gz CNGJDEUVQVBHIO-PPRQPISWSA-N 0 1 314.367 0.721 20 5 DCBDMN C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278083358 396105008 /nfs/dbraw/zinc/10/50/08/396105008.db2.gz HMTUGVOFYDUNCQ-GZMMTYOYSA-N 0 1 306.322 0.908 20 5 DCBDMN C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278083358 396105011 /nfs/dbraw/zinc/10/50/11/396105011.db2.gz HMTUGVOFYDUNCQ-GZMMTYOYSA-N 0 1 306.322 0.908 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCOC[C@H]2CC(C)=O)c1[N+](=O)[O-] ZINC000278287036 396117043 /nfs/dbraw/zinc/11/70/43/396117043.db2.gz AWOSMJWPPZWPCV-SECBINFHSA-N 0 1 310.310 0.700 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000171807629 396125287 /nfs/dbraw/zinc/12/52/87/396125287.db2.gz LXHWJQNGZAUBKG-QMMMGPOBSA-N 0 1 310.310 0.906 20 5 DCBDMN CN(C)C(=O)CN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000074451745 396166996 /nfs/dbraw/zinc/16/69/96/396166996.db2.gz KYFCSQYCEWDRMJ-UHFFFAOYSA-N 0 1 305.294 0.631 20 5 DCBDMN COCCN1CC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000264451583 396281509 /nfs/dbraw/zinc/28/15/09/396281509.db2.gz CWUDMGDMOPMNPM-LLVKDONJSA-N 0 1 308.338 0.628 20 5 DCBDMN O=C(NC[C@]1(O)CCOC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000178945726 396216111 /nfs/dbraw/zinc/21/61/11/396216111.db2.gz RDWVXJAPHWUURC-CYBMUJFWSA-N 0 1 306.278 0.352 20 5 DCBDMN CC(C)[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(N)=O ZINC000264493688 396285494 /nfs/dbraw/zinc/28/54/94/396285494.db2.gz HASHPYVODKOVLC-JTQLQIEISA-N 0 1 305.294 0.711 20 5 DCBDMN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCc2cn[nH]c21 ZINC000269047544 396382941 /nfs/dbraw/zinc/38/29/41/396382941.db2.gz OWILAIMIFLCOBR-LLVKDONJSA-N 0 1 319.325 0.891 20 5 DCBDMN C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000269197466 396394106 /nfs/dbraw/zinc/39/41/06/396394106.db2.gz JHWXXBYQKDWDIY-LLVKDONJSA-N 0 1 320.349 0.535 20 5 DCBDMN COC(=O)COc1ccc(CNC/C=C/CO)cc1[N+](=O)[O-] ZINC000594976268 396543047 /nfs/dbraw/zinc/54/30/47/396543047.db2.gz XYQCMZDIDWPWNG-NSCUHMNNSA-N 0 1 310.306 0.785 20 5 DCBDMN O=C([O-])[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000582425808 396609807 /nfs/dbraw/zinc/60/98/07/396609807.db2.gz OSGIVTJCQIDROP-WCQYABFASA-N 0 1 310.306 0.884 20 5 DCBDMN C[N@@H+](Cc1n[n-]c(=O)o1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595548715 396628845 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0.712 20 5 DCBDMN NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001656343565 1173858684 /nfs/dbraw/zinc/85/86/84/1173858684.db2.gz NRRLCBGCJKPRBU-SECBINFHSA-N 0 1 315.351 0.411 20 5 DCBDMN NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001656343565 1173858686 /nfs/dbraw/zinc/85/86/86/1173858686.db2.gz NRRLCBGCJKPRBU-SECBINFHSA-N 0 1 315.351 0.411 20 5 DCBDMN O=[N+]([O-])c1ccc(O)cc1CNC(CO)(CO)C(F)(F)F ZINC001659502394 1173933110 /nfs/dbraw/zinc/93/31/10/1173933110.db2.gz KZLOMTDMJOKAQU-UHFFFAOYSA-N 0 1 310.228 0.676 20 5 DCBDMN Cc1noc(C)c1C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001686882181 1176240760 /nfs/dbraw/zinc/24/07/60/1176240760.db2.gz ZPLVMMOEUBBQNH-NXEZZACHSA-N 0 1 310.310 0.193 20 5 DCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1(C2CC2)CCC1 ZINC001688325659 1176453289 /nfs/dbraw/zinc/45/32/89/1176453289.db2.gz LCPRMKLDRUAMLH-VXGBXAGGSA-N 0 1 309.366 0.807 20 5 DCBDMN CCC(=CC(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)CC ZINC001688656991 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305.334 0.525 20 5 DCBDMN Cc1nc(C)c(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001722062868 1184158105 /nfs/dbraw/zinc/15/81/05/1184158105.db2.gz RVWATKOIPJHBKW-NXEZZACHSA-N 0 1 322.321 0.335 20 5 DCBDMN Cc1ccc(F)c(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001736741609 1187080000 /nfs/dbraw/zinc/08/00/00/1187080000.db2.gz RRAOWYQIHAEZBS-ZYHUDNBSSA-N 0 1 309.297 0.645 20 5 DCBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC001736741554 1187080662 /nfs/dbraw/zinc/08/06/62/1187080662.db2.gz PNAJKUSIISWADK-VXGBXAGGSA-N 0 1 319.317 0.133 20 5 DCBDMN CN(CCCNC(=O)C1CC(F)(F)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737117532 1187251092 /nfs/dbraw/zinc/25/10/92/1187251092.db2.gz MZDWSKYNAOSSFR-NXEZZACHSA-N 0 1 319.308 0.662 20 5 DCBDMN Cc1c[nH]cc1C(=O)NCCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737139767 1187260064 /nfs/dbraw/zinc/26/00/64/1187260064.db2.gz CNWLBYXSBTXPHU-ZYHUDNBSSA-N 0 1 308.338 0.567 20 5 DCBDMN Cc1ocnc1C(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001738462211 1187556948 /nfs/dbraw/zinc/55/69/48/1187556948.db2.gz JCBLNZPNMFDOSS-JAFKPYBISA-N 0 1 308.294 0.050 20 5 DCBDMN O=C(NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)nc1 ZINC001738474260 1187564824 /nfs/dbraw/zinc/56/48/24/1187564824.db2.gz PJLFPAHNXBRWJY-COUIAZAYSA-N 0 1 322.296 0.288 20 5 DCBDMN CCc1ccsc1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001742404222 1187976756 /nfs/dbraw/zinc/97/67/56/1187976756.db2.gz PZBXNYCXOHCQLE-NXEZZACHSA-N 0 1 311.363 0.822 20 5 DCBDMN Cc1occc1C(=O)NCCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001758331610 1189831462 /nfs/dbraw/zinc/83/14/62/1189831462.db2.gz YRDIJROGZVAUNZ-VXGBXAGGSA-N 0 1 309.322 0.832 20 5 DCBDMN O=C(N[C@H]1C[C@H](NC(=O)C2(CCF)CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001758674655 1189956961 /nfs/dbraw/zinc/95/69/61/1189956961.db2.gz OXSOWJBDZICITK-GWOFURMSSA-N 0 1 313.329 0.555 20 5 DCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(C1CC1)C1CC1 ZINC001759890416 1190332049 /nfs/dbraw/zinc/33/20/49/1190332049.db2.gz UZAODEVDSCBJKO-VXGBXAGGSA-N 0 1 321.377 0.853 20 5 DCBDMN CN1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC001164669336 719382829 /nfs/dbraw/zinc/38/28/29/719382829.db2.gz UTVULMKKVPUGNZ-WDEREUQCSA-N 0 1 309.282 0.417 20 5 DCBDMN O=C(NCC=CCNc1ccc([N+](=O)[O-])cn1)c1ncn[nH]1 ZINC001107286815 751988746 /nfs/dbraw/zinc/98/87/46/751988746.db2.gz FRBWFHJVSSGCQG-OWOJBTEDSA-N 0 1 303.282 0.506 20 5 DCBDMN O=C(NCC=CCNc1ccc([N+](=O)[O-])cn1)c1nc[nH]n1 ZINC001107286815 751988753 /nfs/dbraw/zinc/98/87/53/751988753.db2.gz FRBWFHJVSSGCQG-OWOJBTEDSA-N 0 1 303.282 0.506 20 5 DCBDMN COC(=O)c1ccc([N+](=O)[O-])cc1-n1c(C)ncc(CN)c1=N ZINC001167674689 747516666 /nfs/dbraw/zinc/51/66/66/747516666.db2.gz UXCLNXMIRWFAGY-UHFFFAOYSA-N 0 1 317.305 0.814 20 5 DCBDMN COC(=O)c1ncc([N+](=O)[O-])cc1-n1c(C)ncc(CN)c1=N ZINC001167677036 747532204 /nfs/dbraw/zinc/53/22/04/747532204.db2.gz GRUBCLMOVIHVSM-UHFFFAOYSA-N 0 1 318.293 0.209 20 5 DCBDMN Cc1nc(N[C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)ccc1[N+](=O)[O-] ZINC001059458469 749199047 /nfs/dbraw/zinc/19/90/47/749199047.db2.gz KEGLPFRRBMGICW-KYZUINATSA-N 0 1 317.309 0.789 20 5 DCBDMN O=C(NCCNCc1nc(-c2ccoc2)no1)[C@@H]1CC1[N+](=O)[O-] ZINC001126932496 750144997 /nfs/dbraw/zinc/14/49/97/750144997.db2.gz ZZUNGHMYYRTVAV-NXEZZACHSA-N 0 1 321.293 0.201 20 5 DCBDMN Cc1cc[nH]c1C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989165 755072056 /nfs/dbraw/zinc/07/20/56/755072056.db2.gz QSDHFNGZKDZPTL-GHMZBOCLSA-N 0 1 320.349 0.757 20 5 DCBDMN Cc1cnoc1C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062992978 755073517 /nfs/dbraw/zinc/07/35/17/755073517.db2.gz JHDWLHYHIJCNIL-NXEZZACHSA-N 0 1 322.321 0.417 20 5 DCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1cc[nH]c1 ZINC001063315903 755148802 /nfs/dbraw/zinc/14/88/02/755148802.db2.gz CBGMQWOIDXJTFA-GHMZBOCLSA-N 0 1 306.322 0.449 20 5 DCBDMN CC(C)=CCN1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC001053253721 755975460 /nfs/dbraw/zinc/97/54/60/755975460.db2.gz WAKXWEVOGGUAOY-CHWSQXEVSA-N 0 1 309.366 0.531 20 5 DCBDMN CCC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057544617 758001923 /nfs/dbraw/zinc/00/19/23/758001923.db2.gz KDGOAOUSSWFXHM-GHMZBOCLSA-N 0 1 315.370 0.025 20 5 DCBDMN O=C(NCCNCc1ccccc1[N+](=O)[O-])c1cnccn1 ZINC001122826558 767880071 /nfs/dbraw/zinc/88/00/71/767880071.db2.gz KQZQUSBGDPDPMZ-UHFFFAOYSA-N 0 1 301.306 0.904 20 5 DCBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1C[C@H](CNC(=O)C2CC2)C1 ZINC001086288330 759953327 /nfs/dbraw/zinc/95/33/27/759953327.db2.gz QRMLUVDPASITFK-HOMQSWHASA-N 0 1 307.354 0.723 20 5 DCBDMN CN1CCN(c2nnc(C[N+](=O)[O-])n2CC2CC2)CC1(C)C ZINC001123508442 767989363 /nfs/dbraw/zinc/98/93/63/767989363.db2.gz XSQPGYUUVLRVID-UHFFFAOYSA-N 0 1 308.386 0.995 20 5 DCBDMN COC(=O)Cc1ccc(NC[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC001170044853 761676311 /nfs/dbraw/zinc/67/63/11/761676311.db2.gz NJKNENDXCXDVPA-GFCCVEGCSA-N 0 1 309.322 0.711 20 5 DCBDMN CCN(CCNC(=O)c1cnn[nH]1)c1ncc(C)cc1[N+](=O)[O-] ZINC001100762944 763769319 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SDCVQWFVYMEKMO-UHFFFAOYSA-N 0 1 300.702 0.850 20 5 DCBDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000833628216 605187559 /nfs/dbraw/zinc/18/75/59/605187559.db2.gz DLZSSZWCYMEWAX-LLVKDONJSA-N 0 1 311.342 0.272 20 5 DCBDMN C[C@](O)(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(=O)[O-] ZINC000833524662 605499132 /nfs/dbraw/zinc/49/91/32/605499132.db2.gz KYCHIYCMCVLECS-ZANVPECISA-N 0 1 310.310 0.312 20 5 DCBDMN C[C@@](O)(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(=O)[O-] ZINC000833524657 605499206 /nfs/dbraw/zinc/49/92/06/605499206.db2.gz KYCHIYCMCVLECS-NOZJJQNGSA-N 0 1 310.310 0.312 20 5 DCBDMN C[NH+]1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821623144 607164454 /nfs/dbraw/zinc/16/44/54/607164454.db2.gz DYYWPPRWAUYTNY-UHFFFAOYSA-N 0 1 304.314 0.676 20 5 DCBDMN C[NH+]1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821623144 607164456 /nfs/dbraw/zinc/16/44/56/607164456.db2.gz DYYWPPRWAUYTNY-UHFFFAOYSA-N 0 1 304.314 0.676 20 5 DCBDMN O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccoc1 ZINC000979736508 660809635 /nfs/dbraw/zinc/80/96/35/660809635.db2.gz CBINHYBLLOHMHZ-HJQYOEGKSA-N 0 1 307.306 0.569 20 5 DCBDMN Cn1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000979739236 660810005 /nfs/dbraw/zinc/81/00/05/660810005.db2.gz NWETZAWZPFCRLL-OJAKKHQRSA-N 0 1 320.349 0.315 20 5 DCBDMN CCc1noc(CN2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000981137648 661085140 /nfs/dbraw/zinc/08/51/40/661085140.db2.gz BWCUQJSVANNGGU-GHMZBOCLSA-N 0 1 323.353 0.332 20 5 DCBDMN COCCN(CCC(=O)OC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000890659763 658209784 /nfs/dbraw/zinc/20/97/84/658209784.db2.gz SEKCQYKJLXIDKL-GHMZBOCLSA-N 0 1 316.354 0.858 20 5 DCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCOC[C@@H]2CC2CC2)c1 ZINC000933211072 658560423 /nfs/dbraw/zinc/56/04/23/658560423.db2.gz YTJJMRXCROQEEN-JSGCOSHPSA-N 0 1 310.354 0.653 20 5 DCBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC000972899254 658639511 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CN1CC[C@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000928568462 662132537 /nfs/dbraw/zinc/13/25/37/662132537.db2.gz GJWYMYYLFSNSKG-LBPRGKRZSA-N 0 1 303.322 0.765 20 5 DCBDMN O=C(C1=CCCC1)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940733991 665841129 /nfs/dbraw/zinc/84/11/29/665841129.db2.gz QBVOGCQARAFWRG-CHWSQXEVSA-N 0 1 307.350 0.823 20 5 DCBDMN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000896556325 662289994 /nfs/dbraw/zinc/28/99/94/662289994.db2.gz PARRCZQJMXPRAU-GXFFZTMASA-N 0 1 322.365 0.665 20 5 DCBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CN(C)CCN1C ZINC000896575911 662294217 /nfs/dbraw/zinc/29/42/17/662294217.db2.gz DBWCXKGYBAPGSH-PWSUYJOCSA-N 0 1 309.370 0.297 20 5 DCBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CCN1C ZINC000896580779 662295208 /nfs/dbraw/zinc/29/52/08/662295208.db2.gz NJEXUALYNYZXST-RISCZKNCSA-N 0 1 306.366 0.959 20 5 DCBDMN O=C1OCC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000728290965 662374904 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CC1(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC(F)(F)C1 ZINC000991294839 663959020 /nfs/dbraw/zinc/95/90/20/663959020.db2.gz HQYNTHXMSBEPBD-RKDXNWHRSA-N 0 1 317.292 0.414 20 5 DCBDMN CC(C)c1nc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)no1 ZINC001030292180 664504459 /nfs/dbraw/zinc/50/44/59/664504459.db2.gz WUIMQBSQPNZQMV-NXEZZACHSA-N 0 1 309.326 0.159 20 5 DCBDMN O=C(NC1CN(Cc2cccc(Cl)n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292631 664504716 /nfs/dbraw/zinc/50/47/16/664504716.db2.gz PSKCGWPFMPPHLA-GHMZBOCLSA-N 0 1 310.741 0.701 20 5 DCBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC(F)(F)C1 ZINC001001385974 666045792 /nfs/dbraw/zinc/04/57/92/666045792.db2.gz SDSHBSJPOAIWDX-NXEZZACHSA-N 0 1 317.292 0.272 20 5 DCBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc(F)cn1 ZINC001001523079 666067518 /nfs/dbraw/zinc/06/75/18/666067518.db2.gz RBTIIKZQHIPPSF-ZYHUDNBSSA-N 0 1 322.296 0.074 20 5 DCBDMN Cc1nscc1C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001795823 666103415 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DCBDMN Cc1cc(F)cc(C(=O)NCCN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000863322518 667129056 /nfs/dbraw/zinc/12/90/56/667129056.db2.gz WJYHBMKLAQCEHF-LLVKDONJSA-N 0 1 311.313 0.839 20 5 DCBDMN Cc1[nH]nc(C(=O)N(C)Cc2cccc(C(N)=O)c2)c1[N+](=O)[O-] ZINC000749735885 667962415 /nfs/dbraw/zinc/96/24/15/667962415.db2.gz PYONUVWKASZIBT-UHFFFAOYSA-N 0 1 317.305 0.997 20 5 DCBDMN Nc1ccc(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)cc1[N+](=O)[O-] ZINC000752915652 668023217 /nfs/dbraw/zinc/02/32/17/668023217.db2.gz QRTYLSNOIMUIGP-SECBINFHSA-N 0 1 317.309 0.710 20 5 DCBDMN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C(=O)N1c1ccccc1 ZINC000839691210 668131462 /nfs/dbraw/zinc/13/14/62/668131462.db2.gz IKIYLBIOBXKISC-OJAKKHQRSA-N 0 1 303.318 0.962 20 5 DCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H](COc2ccccc2)C1 ZINC000839734262 668133881 /nfs/dbraw/zinc/13/38/81/668133881.db2.gz RIIZZJHNDATGPE-MGPQQGTHSA-N 0 1 306.318 0.958 20 5 DCBDMN CCS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839721117 668136539 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Cn1nccc1[C@H](CO)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843107826 672062378 /nfs/dbraw/zinc/06/23/78/672062378.db2.gz LAEZCHOGTRFYLM-GXTWGEPZSA-N 0 1 306.322 0.685 20 5 DCBDMN CN1CCN(C[C@@H](O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000844943605 672210636 /nfs/dbraw/zinc/21/06/36/672210636.db2.gz TVOZPCUDOXZEJJ-LLVKDONJSA-N 0 1 313.329 0.721 20 5 DCBDMN CN(C(=O)c1cccnc1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000953545525 685732766 /nfs/dbraw/zinc/73/27/66/685732766.db2.gz DARAWQYCNODETN-VXGBXAGGSA-N 0 1 304.306 0.030 20 5 DCBDMN Cc1ncc(C(=O)N(C)C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC000953858666 685875651 /nfs/dbraw/zinc/87/56/51/685875651.db2.gz DBRILKNVBOBZJG-NXEZZACHSA-N 0 1 324.362 0.400 20 5 DCBDMN CN(C(=O)c1ncc[nH]1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000953921229 685900872 /nfs/dbraw/zinc/90/08/72/685900872.db2.gz ILVSEJIMBBVKGI-GHMZBOCLSA-N 0 1 321.337 0.138 20 5 DCBDMN CCc1[nH]ccc1C(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954239763 685977135 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20 5 DCBDMN O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1CN1CCC[C@@H](O)C1 ZINC001593483048 1167868993 /nfs/dbraw/zinc/86/89/93/1167868993.db2.gz SKAGSZHLWDSKKP-SECBINFHSA-N 0 1 304.310 0.732 20 5 DCBDMN O=C([O-])[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001601274606 1168686672 /nfs/dbraw/zinc/68/66/72/1168686672.db2.gz IJRJWELZYIIDQG-VXGBXAGGSA-N 0 1 323.305 0.443 20 5 DCBDMN O=C([O-])[C@@]1(NCC[N+](=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001601720356 1168831784 /nfs/dbraw/zinc/83/17/84/1168831784.db2.gz OUGZZBYBRWLCSB-OAHLLOKOSA-N 0 1 307.350 0.972 20 5 DCBDMN O=C([O-])[C@@]1(NCC[N+](=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001601720356 1168831791 /nfs/dbraw/zinc/83/17/91/1168831791.db2.gz OUGZZBYBRWLCSB-OAHLLOKOSA-N 0 1 307.350 0.972 20 5 DCBDMN O=C([O-])[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001601750460 1168850100 /nfs/dbraw/zinc/85/01/00/1168850100.db2.gz DCCYGOUHOFBCEF-AVGNSLFASA-N 0 1 310.306 0.538 20 5 DCBDMN 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FEMWLTHKYNFIMT-ZETCQYMHSA-N 0 1 306.330 0.719 20 5 DCBDMN C[C@@H](C[NH+](C)C)Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609374530 1170955204 /nfs/dbraw/zinc/95/52/04/1170955204.db2.gz FEMWLTHKYNFIMT-ZETCQYMHSA-N 0 1 306.330 0.719 20 5 DCBDMN Cc1nc(CCNc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])n[nH]1 ZINC001609449687 1170983674 /nfs/dbraw/zinc/98/36/74/1170983674.db2.gz GVNLFTKFKQOGOM-UHFFFAOYSA-N 0 1 315.297 0.856 20 5 DCBDMN C[C@@H](CN(C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC001611065833 1171350816 /nfs/dbraw/zinc/35/08/16/1171350816.db2.gz RDBHLVXEBQQIHG-KWQFWETISA-N 0 1 320.309 0.403 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCSC[C@@H]2CO)c1[N+](=O)[O-] ZINC001623320688 1171436329 /nfs/dbraw/zinc/43/63/29/1171436329.db2.gz QKYPLMPXFRXOFL-ZETCQYMHSA-N 0 1 300.340 0.430 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](c3nnc[nH]3)C2)c1[N+](=O)[O-] ZINC001633572674 1171648277 /nfs/dbraw/zinc/64/82/77/1171648277.db2.gz OAEHINGOMZDWPJ-QMMMGPOBSA-N 0 1 305.298 0.764 20 5 DCBDMN 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DCBDMN O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001536223094 1012030959 /nfs/dbraw/zinc/03/09/59/1012030959.db2.gz LIEGNSPJTVGGKU-MGPQQGTHSA-N 0 1 317.345 0.817 20 5 DCBDMN CC(C)(CCC(=O)N1CCSC[C@H]1c1nn[nH]n1)[N+](=O)[O-] ZINC001556270297 1012194512 /nfs/dbraw/zinc/19/45/12/1012194512.db2.gz OTFNYQOIYHYCER-QMMMGPOBSA-N 0 1 314.371 0.652 20 5 DCBDMN Cc1nn(C)c(C(=O)NCc2n[nH]c(C(C)C)n2)c1[N+](=O)[O-] ZINC001558988671 1012399878 /nfs/dbraw/zinc/39/98/78/1012399878.db2.gz AQSKGXYHNNGAOZ-UHFFFAOYSA-N 0 1 307.314 0.808 20 5 DCBDMN Cc1nc(CN2CCN(c3c([N+](=O)[O-])cnn3C)CC2)n[nH]1 ZINC001559153870 1012405956 /nfs/dbraw/zinc/40/59/56/1012405956.db2.gz KWSUZHCRQPVNCS-UHFFFAOYSA-N 0 1 306.330 0.077 20 5 DCBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(CO)(CO)CC2)cc1 ZINC001560128463 1012439665 /nfs/dbraw/zinc/43/96/65/1012439665.db2.gz GADYLKACYGVMEM-AWEZNQCLSA-N 0 1 310.350 0.695 20 5 DCBDMN CCO[C@@H]1C[C@](CO)(NCc2cn(C)nc2[N+](=O)[O-])C1(C)C ZINC001459949030 1012841528 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0.840 20 5 DCBDMN COCCN(CC(=O)OC)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272686289 210090157 /nfs/dbraw/zinc/09/01/57/210090157.db2.gz PFOXFSAMCYRSCM-UHFFFAOYSA-N 0 1 312.278 0.562 20 5 DCBDMN COC(=O)CNC(=O)[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180418034 199156265 /nfs/dbraw/zinc/15/62/65/199156265.db2.gz HOXNDDARJPZFOY-VHSXEESVSA-N 0 1 309.322 0.923 20 5 DCBDMN C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C(=O)[O-])C1 ZINC000566683827 291318845 /nfs/dbraw/zinc/31/88/45/291318845.db2.gz JFSQVIWRLJEEGY-ADEWGFFLSA-N 0 1 312.326 0.337 20 5 DCBDMN O=[N+]([O-])c1cnc2ccc(N3CC[C@H](c4nc[nH]n4)C3)nn21 ZINC000425275614 240327259 /nfs/dbraw/zinc/32/72/59/240327259.db2.gz AZXAIBLKRQXBFS-QMMMGPOBSA-N 0 1 300.282 0.750 20 5 DCBDMN CCn1ccnc1[C@@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567892402 291388636 /nfs/dbraw/zinc/38/86/36/291388636.db2.gz VUXANLOMTXUNQN-PWSUYJOCSA-N 0 1 308.342 0.719 20 5 DCBDMN COc1ccc(C(=O)NC[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000264769289 204143007 /nfs/dbraw/zinc/14/30/07/204143007.db2.gz VDIHAHXSMASALS-LBPRGKRZSA-N 0 1 322.365 0.579 20 5 DCBDMN COC(=O)C1(O)CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339064493 253027697 /nfs/dbraw/zinc/02/76/97/253027697.db2.gz IEWGXQJIWCNKJL-UHFFFAOYSA-N 0 1 310.306 0.800 20 5 DCBDMN CO[C@H]1C[C@H](c2n[nH]c(C)n2)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000344735493 253824523 /nfs/dbraw/zinc/82/45/23/253824523.db2.gz NHXJNVFRKVWRKZ-VHSXEESVSA-N 0 1 321.341 0.717 20 5 DCBDMN Cc1n[nH]c(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000347118976 254131153 /nfs/dbraw/zinc/13/11/53/254131153.db2.gz ADOOOQWBZIIPKF-VIFPVBQESA-N 0 1 311.342 0.155 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000347118976 254131154 /nfs/dbraw/zinc/13/11/54/254131154.db2.gz ADOOOQWBZIIPKF-VIFPVBQESA-N 0 1 311.342 0.155 20 5 DCBDMN Cc1n[nH]c(C(=O)N2CCCN([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000347118976 254131157 /nfs/dbraw/zinc/13/11/57/254131157.db2.gz ADOOOQWBZIIPKF-VIFPVBQESA-N 0 1 311.342 0.155 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCCN([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000347118976 254131158 /nfs/dbraw/zinc/13/11/58/254131158.db2.gz ADOOOQWBZIIPKF-VIFPVBQESA-N 0 1 311.342 0.155 20 5 DCBDMN O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000270853801 395816055 /nfs/dbraw/zinc/81/60/55/395816055.db2.gz KNIWOOXWKWZRTQ-VIFPVBQESA-N 0 1 321.337 0.981 20 5 DCBDMN C[NH+]1CCN(C2CCN(c3ncc([N+](=O)[O-])cn3)CC2)CC1 ZINC000217659577 395839846 /nfs/dbraw/zinc/83/98/46/395839846.db2.gz XPIUGRKJMLMJOU-UHFFFAOYSA-N 0 1 306.370 0.601 20 5 DCBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000134974746 395936306 /nfs/dbraw/zinc/93/63/06/395936306.db2.gz ZMMQEARJBKSLMF-NOZJJQNGSA-N 0 1 309.322 0.749 20 5 DCBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000134974746 395936308 /nfs/dbraw/zinc/93/63/08/395936308.db2.gz ZMMQEARJBKSLMF-NOZJJQNGSA-N 0 1 309.322 0.749 20 5 DCBDMN CN1CC[NH+](CCCNC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000136155322 395944834 /nfs/dbraw/zinc/94/48/34/395944834.db2.gz DHKQVRIBMAKOBO-UHFFFAOYSA-N 0 1 322.365 0.668 20 5 DCBDMN C[C@@H](CN(C)C(=O)c1c(N)cccc1[N+](=O)[O-])c1nn[nH]n1 ZINC000274819780 395978997 /nfs/dbraw/zinc/97/89/97/395978997.db2.gz XIDUICHOLQYVGZ-ZETCQYMHSA-N 0 1 305.298 0.566 20 5 DCBDMN CC(C)[C@H]1CN(C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000153765750 396025881 /nfs/dbraw/zinc/02/58/81/396025881.db2.gz LYCFIXQDFOULTF-CYBMUJFWSA-N 0 1 322.365 0.555 20 5 DCBDMN O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000155649241 396055293 /nfs/dbraw/zinc/05/52/93/396055293.db2.gz JLOIXXGWEUXSMG-JTQLQIEISA-N 0 1 321.337 0.839 20 5 DCBDMN COCC[N@H+](C)CCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277872139 396092342 /nfs/dbraw/zinc/09/23/42/396092342.db2.gz LWTBCIYNTZSSGN-UHFFFAOYSA-N 0 1 312.326 0.394 20 5 DCBDMN COCC[N@@H+](C)CCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277872139 396092346 /nfs/dbraw/zinc/09/23/46/396092346.db2.gz LWTBCIYNTZSSGN-UHFFFAOYSA-N 0 1 312.326 0.394 20 5 DCBDMN COCC[N@@H+]1CC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000277614020 396077792 /nfs/dbraw/zinc/07/77/92/396077792.db2.gz BBLPTJALKNQSAS-SNVBAGLBSA-N 0 1 310.310 0.146 20 5 DCBDMN COCC[N@H+]1CC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000277614020 396077793 /nfs/dbraw/zinc/07/77/93/396077793.db2.gz BBLPTJALKNQSAS-SNVBAGLBSA-N 0 1 310.310 0.146 20 5 DCBDMN C[C@H](CN1CCN(C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264495259 396285506 /nfs/dbraw/zinc/28/55/06/396285506.db2.gz YWPVAHFCNGUZJL-CYBMUJFWSA-N 0 1 320.393 0.889 20 5 DCBDMN O=C(NCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184582998 396299918 /nfs/dbraw/zinc/29/99/18/396299918.db2.gz OKBGQAFXAGZBAG-UHFFFAOYSA-N 0 1 309.322 0.753 20 5 DCBDMN C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1nnc[nH]1 ZINC000184785260 396306404 /nfs/dbraw/zinc/30/64/04/396306404.db2.gz QQZNZIDNJIBZJT-QMMMGPOBSA-N 0 1 311.323 0.894 20 5 DCBDMN COc1cc(CCNC(=O)c2ncn[nH]2)c([N+](=O)[O-])cc1OC ZINC000269417367 396413072 /nfs/dbraw/zinc/41/30/72/396413072.db2.gz JOWCBDXZNUGNSI-UHFFFAOYSA-N 0 1 321.293 0.703 20 5 DCBDMN COc1cc(CCNC(=O)c2nc[nH]n2)c([N+](=O)[O-])cc1OC ZINC000269417367 396413073 /nfs/dbraw/zinc/41/30/73/396413073.db2.gz JOWCBDXZNUGNSI-UHFFFAOYSA-N 0 1 321.293 0.703 20 5 DCBDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc([N+](=O)[O-])n[nH]1 ZINC000507458296 396497170 /nfs/dbraw/zinc/49/71/70/396497170.db2.gz FRRBTANKZIPWNZ-UHFFFAOYSA-N 0 1 300.238 0.750 20 5 DCBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCN1C(=O)CNC1=O ZINC000595034518 396546296 /nfs/dbraw/zinc/54/62/96/396546296.db2.gz WRRYHSZZLYBYMO-VIFPVBQESA-N 0 1 322.321 0.806 20 5 DCBDMN CNS(=O)(=O)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293975441 396645674 /nfs/dbraw/zinc/64/56/74/396645674.db2.gz AZOSSIVBPANTAP-MRVPVSSYSA-N 0 1 302.356 0.377 20 5 DCBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCOCCF ZINC000595409344 396604287 /nfs/dbraw/zinc/60/42/87/396604287.db2.gz OLYMFZUYDLXXMB-UHFFFAOYSA-N 0 1 310.278 0.998 20 5 DCBDMN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1n[nH]c(=O)o1 ZINC000595548725 396629030 /nfs/dbraw/zinc/62/90/30/396629030.db2.gz YQGMTRWXKGXLBM-UHFFFAOYSA-N 0 1 307.266 0.754 20 5 DCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCOC3(CCCC3)C2)c1 ZINC000305122073 396738619 /nfs/dbraw/zinc/73/86/19/396738619.db2.gz JXGYJILDSNDRPU-ZDUSSCGKSA-N 0 1 310.354 0.797 20 5 DCBDMN C[N@H+]1CC[C@H](C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000313974035 396776874 /nfs/dbraw/zinc/77/68/74/396776874.db2.gz AODBWAOUWOTTHO-SECBINFHSA-N 0 1 317.342 0.964 20 5 DCBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCN1CC[C@H](O)C1 ZINC000600808752 396947606 /nfs/dbraw/zinc/94/76/06/396947606.db2.gz PEONDSUWZODERG-LBPRGKRZSA-N 0 1 311.313 0.459 20 5 DCBDMN COc1cc(C(=O)NCCN2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000600809658 396948190 /nfs/dbraw/zinc/94/81/90/396948190.db2.gz WIKICUAECXJZJG-NSHDSACASA-N 0 1 309.322 0.400 20 5 DCBDMN COc1ccccc1[C@@H](N)CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000591680787 396977077 /nfs/dbraw/zinc/97/70/77/396977077.db2.gz HUNCIFXEWMAKJE-JTQLQIEISA-N 0 1 320.309 0.011 20 5 DCBDMN O=C1N[C@@H](Cc2cnc[nH]2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000348504828 397043368 /nfs/dbraw/zinc/04/33/68/397043368.db2.gz YYBYIIYMKHFXSB-LBPRGKRZSA-N 0 1 315.289 0.981 20 5 DCBDMN C[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@H](C)CN1 ZINC000592376432 397163794 /nfs/dbraw/zinc/16/37/94/397163794.db2.gz LMXWZAHQGSCMBQ-RKDXNWHRSA-N 0 1 300.340 0.361 20 5 DCBDMN CC(C)[C@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CCN1 ZINC000592379114 397164018 /nfs/dbraw/zinc/16/40/18/397164018.db2.gz HHMIPIXASCERPH-SNVBAGLBSA-N 0 1 314.367 0.608 20 5 DCBDMN COc1ccc(NC(=O)NC[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000599605521 397486015 /nfs/dbraw/zinc/48/60/15/397486015.db2.gz YROPMTMAJGIPMD-JTQLQIEISA-N 0 1 310.310 0.713 20 5 DCBDMN O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1COCCN1 ZINC000599919767 397540928 /nfs/dbraw/zinc/54/09/28/397540928.db2.gz QESBCIXKAHZICR-LBPRGKRZSA-N 0 1 308.338 0.425 20 5 DCBDMN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1nn[nH]n1 ZINC000609493732 397777725 /nfs/dbraw/zinc/77/77/25/397777725.db2.gz YGLPKRSNUKTBCN-UHFFFAOYSA-N 0 1 301.266 0.379 20 5 DCBDMN C[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N(C)C ZINC000610550420 397831447 /nfs/dbraw/zinc/83/14/47/397831447.db2.gz BWBTUHDLYUPHCH-WDEREUQCSA-N 0 1 307.354 0.953 20 5 DCBDMN COc1ccc(S(=O)(=O)N(C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000175702604 286347393 /nfs/dbraw/zinc/34/73/93/286347393.db2.gz NISDWZVLAPSSCK-UHFFFAOYSA-N 0 1 317.367 0.786 20 5 DCBDMN O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000137575947 158345930 /nfs/dbraw/zinc/34/59/30/158345930.db2.gz VRZMZWMQLRSJFK-ZETCQYMHSA-N 0 1 321.259 0.932 20 5 DCBDMN CC(C)[C@@H]1CN(C)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161650262 158359246 /nfs/dbraw/zinc/35/92/46/158359246.db2.gz UNQWBMPDDCFMJF-ZDUSSCGKSA-N 0 1 324.385 0.773 20 5 DCBDMN COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000323025263 159012420 /nfs/dbraw/zinc/01/24/20/159012420.db2.gz TULXMJVLCPVHJE-VIFPVBQESA-N 0 1 321.293 0.171 20 5 DCBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN[C@@H](C)C1 ZINC000415431773 287236546 /nfs/dbraw/zinc/23/65/46/287236546.db2.gz KQUYLIQLKMDFII-JTQLQIEISA-N 0 1 320.349 0.916 20 5 DCBDMN COCCN1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000265308232 415131010 /nfs/dbraw/zinc/13/10/10/415131010.db2.gz RCPHUZWKKGKRCR-SECBINFHSA-N 0 1 311.342 0.419 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000268257942 415181561 /nfs/dbraw/zinc/18/15/61/415181561.db2.gz KNWCETDKZORRCX-BDAKNGLRSA-N 0 1 307.310 0.510 20 5 DCBDMN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC000342833074 415309377 /nfs/dbraw/zinc/30/93/77/415309377.db2.gz WUVCYFYOLGEPJL-ZDUSSCGKSA-N 0 1 310.310 0.255 20 5 DCBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)Cc1nnc[nH]1 ZINC000080527724 415481571 /nfs/dbraw/zinc/48/15/71/415481571.db2.gz WWOZYGHOPKFRID-UHFFFAOYSA-N 0 1 311.323 0.842 20 5 DCBDMN O=C(Nc1nnc(CC(F)(F)F)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000344434080 415913771 /nfs/dbraw/zinc/91/37/71/415913771.db2.gz YOMAABOIHQQZIU-UHFFFAOYSA-N 0 1 322.228 1.527 20 5 DCBDMN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CCC1 ZINC000337595641 415982401 /nfs/dbraw/zinc/98/24/01/415982401.db2.gz OTILSWDJDGTGIM-NSHDSACASA-N 0 1 324.385 0.649 20 5 DCBDMN C[C@@H]1COCCN1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356518613 415937696 /nfs/dbraw/zinc/93/76/96/415937696.db2.gz YCFWDCZGENPHIE-SNVBAGLBSA-N 0 1 309.322 0.751 20 5 DCBDMN CN(C)[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1cccs1 ZINC000338096313 416044751 /nfs/dbraw/zinc/04/47/51/416044751.db2.gz RMWIDXIONJAWSU-SECBINFHSA-N 0 1 324.366 0.667 20 5 DCBDMN CC[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CCN1C[C@H](C)O ZINC000301257111 416079696 /nfs/dbraw/zinc/07/96/96/416079696.db2.gz FWYBITBQPLIYHG-CMPLNLGQSA-N 0 1 311.386 0.918 20 5 DCBDMN CS(=O)(=O)C1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCC1 ZINC000357321930 416063276 /nfs/dbraw/zinc/06/32/76/416063276.db2.gz NKTITAZJBGWICQ-UHFFFAOYSA-N 0 1 302.312 0.015 20 5 DCBDMN CC[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CCN1C[C@H](C)O ZINC000301257113 416080285 /nfs/dbraw/zinc/08/02/85/416080285.db2.gz FWYBITBQPLIYHG-JQWIXIFHSA-N 0 1 311.386 0.918 20 5 DCBDMN COC(=O)[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000338320394 416079302 /nfs/dbraw/zinc/07/93/02/416079302.db2.gz LFCSZDSIPARMIW-QPUJVOFHSA-N 0 1 324.289 0.703 20 5 DCBDMN Cc1nnc(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000171546237 416040681 /nfs/dbraw/zinc/04/06/81/416040681.db2.gz HCOCJNRHYABZPY-SSDOTTSWSA-N 0 1 318.293 0.778 20 5 DCBDMN Cc1n[nH]c(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000171546237 416040685 /nfs/dbraw/zinc/04/06/85/416040685.db2.gz HCOCJNRHYABZPY-SSDOTTSWSA-N 0 1 318.293 0.778 20 5 DCBDMN Cc1nn(C)c(N2CCN(C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000301516438 416085376 /nfs/dbraw/zinc/08/53/76/416085376.db2.gz BXLSWVQLCWZCBY-LBPRGKRZSA-N 0 1 309.370 0.795 20 5 DCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NC1(c2nn[nH]n2)CCCC1 ZINC000345557968 416115273 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O=c1c([N+](=O)[O-])cc(Br)cn1Cc1c[nH]nn1 ZINC000352144553 416295174 /nfs/dbraw/zinc/29/51/74/416295174.db2.gz HCANASPGKRTGQS-UHFFFAOYSA-N 0 1 300.072 0.685 20 5 DCBDMN C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H]1C ZINC000248406609 416333347 /nfs/dbraw/zinc/33/33/47/416333347.db2.gz SPJRLOYWMDHKII-MNOVXSKESA-N 0 1 323.349 0.828 20 5 DCBDMN C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H]1C ZINC000248406609 416333348 /nfs/dbraw/zinc/33/33/48/416333348.db2.gz SPJRLOYWMDHKII-MNOVXSKESA-N 0 1 323.349 0.828 20 5 DCBDMN Cc1n[nH]c(C(=O)N2CCN(Cc3ccon3)CC2)c1[N+](=O)[O-] ZINC000359550676 416350061 /nfs/dbraw/zinc/35/00/61/416350061.db2.gz PCOIBDUTYWLMEI-UHFFFAOYSA-N 0 1 320.309 0.572 20 5 DCBDMN NS(=O)(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000361742296 416486699 /nfs/dbraw/zinc/48/66/99/416486699.db2.gz DWDHTBSJPYPPMS-UHFFFAOYSA-N 0 1 313.379 0.890 20 5 DCBDMN C[N@@H+](CC(=O)[O-])[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000435645023 416529866 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CCN1CCN([C@@H]2CCN(c3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000609288113 416653897 /nfs/dbraw/zinc/65/38/97/416653897.db2.gz AHYCJUXEHULGBD-GFCCVEGCSA-N 0 1 308.386 0.545 20 5 DCBDMN Cc1nn(CCC(=O)NCCCc2nc[nH]n2)c(C)c1[N+](=O)[O-] ZINC000557064654 416723320 /nfs/dbraw/zinc/72/33/20/416723320.db2.gz RODSKFLNTFUPHY-UHFFFAOYSA-N 0 1 321.341 0.665 20 5 DCBDMN Cc1c(NC(=O)C(=O)NCc2c[nH]nn2)cccc1[N+](=O)[O-] ZINC000615164524 416773444 /nfs/dbraw/zinc/77/34/44/416773444.db2.gz CABDODANJBYNCM-UHFFFAOYSA-N 0 1 304.266 0.276 20 5 DCBDMN COC(=O)c1nc[nH]c1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000559237512 416803990 /nfs/dbraw/zinc/80/39/90/416803990.db2.gz LJRRRCNXWWGRJO-UHFFFAOYSA-N 0 1 308.254 0.330 20 5 DCBDMN O=C(NC[C@@H]1CCCC(=O)N1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000447755964 417024247 /nfs/dbraw/zinc/02/42/47/417024247.db2.gz FIYULJZJJRFPHT-QMMMGPOBSA-N 0 1 317.305 0.870 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCOC[C@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000408102895 417139334 /nfs/dbraw/zinc/13/93/34/417139334.db2.gz DTOVUPWWPOZRJY-VHSXEESVSA-N 0 1 310.310 0.646 20 5 DCBDMN CC(C)n1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000569596138 417273215 /nfs/dbraw/zinc/27/32/15/417273215.db2.gz WIUCGYBXSJQBJA-CYBMUJFWSA-N 0 1 308.342 0.719 20 5 DCBDMN CC(C)Oc1nc(NC[C@H]2CN(C)CCN2C)ccc1[N+](=O)[O-] ZINC000575071659 417509450 /nfs/dbraw/zinc/50/94/50/417509450.db2.gz BSPFAKCLYCPEBF-LBPRGKRZSA-N 0 1 323.397 1.435 20 5 DCBDMN CC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)NC ZINC000457014222 417677789 /nfs/dbraw/zinc/67/77/89/417677789.db2.gz PRIRGGBXWAGRSE-SECBINFHSA-N 0 1 305.294 0.726 20 5 DCBDMN Cc1ccc(C(=O)NCCNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000179584123 261113242 /nfs/dbraw/zinc/11/32/42/261113242.db2.gz NAFWAYILIPIPAS-UHFFFAOYSA-N 0 1 317.305 0.786 20 5 DCBDMN O=C(COc1ccccc1[N+](=O)[O-])NCCCc1nc[nH]n1 ZINC000315538130 261174287 /nfs/dbraw/zinc/17/42/87/261174287.db2.gz ZYSZNBCRVUFFRU-UHFFFAOYSA-N 0 1 305.294 0.841 20 5 DCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000363594379 271195845 /nfs/dbraw/zinc/19/58/45/271195845.db2.gz ACPNKWBHAXRDQL-UHFFFAOYSA-N 0 1 319.325 0.624 20 5 DCBDMN CN1CCN(C)[C@H](CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000491797883 272104876 /nfs/dbraw/zinc/10/48/76/272104876.db2.gz QMRSDQNXKSCKPB-IDTUSYRASA-N 0 1 318.377 0.970 20 5 DCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000495275794 272244096 /nfs/dbraw/zinc/24/40/96/272244096.db2.gz JWSCHOYGCSBWBI-SNVBAGLBSA-N 0 1 321.289 0.967 20 5 DCBDMN NC(=O)OC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000496955885 272356683 /nfs/dbraw/zinc/35/66/83/272356683.db2.gz JIQAXPQZTHNSSS-IJLUTSLNSA-N 0 1 307.306 0.888 20 5 DCBDMN CC(C)c1n[nH]c(C(=O)NCCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000551941621 288247900 /nfs/dbraw/zinc/24/79/00/288247900.db2.gz VAALHKHKIQNYBZ-UHFFFAOYSA-N 0 1 307.314 0.922 20 5 DCBDMN C[C@H](C(=O)[O-])[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000583392368 332382506 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ZINC000269298001 396405029 /nfs/dbraw/zinc/40/50/29/396405029.db2.gz SMFDDLJQSHPSRA-LBPRGKRZSA-N 0 1 307.306 0.897 20 5 DCBDMN CCc1cc(N2CCC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ncn1 ZINC000371619831 396472371 /nfs/dbraw/zinc/47/23/71/396472371.db2.gz CWYFBXFTRWSOOK-YNEHKIRRSA-N 0 1 319.365 0.789 20 5 DCBDMN CC(C)(C)OC(=O)N1C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O ZINC000496361660 396481865 /nfs/dbraw/zinc/48/18/65/396481865.db2.gz DECZDECHQVQHMF-DJLDLDEBSA-N 0 1 314.294 0.731 20 5 DCBDMN CNC(=O)c1ccc(N2C[C@@H]3OCCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000301637030 396717091 /nfs/dbraw/zinc/71/70/91/396717091.db2.gz FMFXIHFFJDCXIH-KBPBESRZSA-N 0 1 320.349 0.474 20 5 DCBDMN CN(CC(=O)NCCCc1nc[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000590538026 396790928 /nfs/dbraw/zinc/79/09/28/396790928.db2.gz JGZLODBAVJLGLJ-UHFFFAOYSA-N 0 1 318.337 0.898 20 5 DCBDMN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCN(C[C@H]2CCCO2)CC1 ZINC000611200262 396833625 /nfs/dbraw/zinc/83/36/25/396833625.db2.gz ZLOZPKCLKJBCST-LLVKDONJSA-N 0 1 323.353 0.645 20 5 DCBDMN Nc1c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cccc1[N+](=O)[O-] ZINC000611072381 396812928 /nfs/dbraw/zinc/81/29/28/396812928.db2.gz WEZPAPBXGZBFLL-QMMMGPOBSA-N 0 1 317.309 0.710 20 5 DCBDMN Nc1c(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)cccc1[N+](=O)[O-] ZINC000611072381 396812932 /nfs/dbraw/zinc/81/29/32/396812932.db2.gz WEZPAPBXGZBFLL-QMMMGPOBSA-N 0 1 317.309 0.710 20 5 DCBDMN O=C(NCCN1CC[C@@H](O)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600535149 396885207 /nfs/dbraw/zinc/88/52/07/396885207.db2.gz WJIWFFVAADYYQL-SECBINFHSA-N 0 1 323.305 0.120 20 5 DCBDMN CNc1c(C(=O)NCCN2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000600536478 396887124 /nfs/dbraw/zinc/88/71/24/396887124.db2.gz VUOSAURNMJUQAT-SNVBAGLBSA-N 0 1 308.338 0.433 20 5 DCBDMN [NH3+]C1CCC([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000592366988 397161258 /nfs/dbraw/zinc/16/12/58/397161258.db2.gz WWMDZJJGGXWRER-UHFFFAOYSA-N 0 1 300.340 0.538 20 5 DCBDMN [NH3+][C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000592379947 397163769 /nfs/dbraw/zinc/16/37/69/397163769.db2.gz BTBOQOKDFOUBJU-BDAKNGLRSA-N 0 1 300.340 0.538 20 5 DCBDMN C[C@@H]1CN[C@@H](C)CN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000592376430 397163892 /nfs/dbraw/zinc/16/38/92/397163892.db2.gz LMXWZAHQGSCMBQ-DTWKUNHWSA-N 0 1 300.340 0.361 20 5 DCBDMN CN(C[C@H]1COCCO1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000598181402 397185165 /nfs/dbraw/zinc/18/51/65/397185165.db2.gz MGHFLMIBCYUZPF-JTQLQIEISA-N 0 1 320.305 0.959 20 5 DCBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1COCCN1 ZINC000602551958 397437505 /nfs/dbraw/zinc/43/75/05/397437505.db2.gz PZIYTMNXYUXWMS-SNVBAGLBSA-N 0 1 313.741 0.895 20 5 DCBDMN CC(C)(C(=O)N1CCc2nc[nH]c2C1)n1cc([N+](=O)[O-])cn1 ZINC000599952434 397551264 /nfs/dbraw/zinc/55/12/64/397551264.db2.gz OHIVATKQSQGLRL-UHFFFAOYSA-N 0 1 304.310 0.834 20 5 DCBDMN O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)c1cc([N+](=O)[O-])c[nH]1 ZINC000594385441 397538865 /nfs/dbraw/zinc/53/88/65/397538865.db2.gz NAQCDMIORAUNQK-VIFPVBQESA-N 0 1 306.282 0.823 20 5 DCBDMN O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@@H]1COCCN1 ZINC000599921134 397540708 /nfs/dbraw/zinc/54/07/08/397540708.db2.gz DCIAPYKMZOKOJM-LLVKDONJSA-N 0 1 324.337 0.261 20 5 DCBDMN O=C(NC[C@@H](O)COc1ccc(F)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000119087991 158182463 /nfs/dbraw/zinc/18/24/63/158182463.db2.gz RHBKIFXMPBWYGU-SECBINFHSA-N 0 1 324.268 0.627 20 5 DCBDMN NC(=O)C1(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000128881853 158283896 /nfs/dbraw/zinc/28/38/96/158283896.db2.gz WTZKOYHVHIUSLD-UHFFFAOYSA-N 0 1 303.271 0.030 20 5 DCBDMN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCNCC1 ZINC000159401214 158352745 /nfs/dbraw/zinc/35/27/45/158352745.db2.gz KVVFJHYRNUDOHW-UHFFFAOYSA-N 0 1 301.306 0.826 20 5 DCBDMN [NH3+]CC(F)(F)C[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000162635016 158360806 /nfs/dbraw/zinc/36/08/06/158360806.db2.gz XEHZKPKNJZSYCQ-UHFFFAOYSA-N 0 1 309.294 0.608 20 5 DCBDMN C[C@@H]1[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000356876019 159254362 /nfs/dbraw/zinc/25/43/62/159254362.db2.gz LOJMMQLLGSOTLQ-GHMZBOCLSA-N 0 1 308.338 0.308 20 5 DCBDMN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(C2CCCC2)CC1 ZINC000129616242 196062751 /nfs/dbraw/zinc/06/27/51/196062751.db2.gz CQLXARCMYTYQKF-UHFFFAOYSA-N 0 1 308.342 0.273 20 5 DCBDMN CC[C@@H]1C(=O)NCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269396292 415249042 /nfs/dbraw/zinc/24/90/42/415249042.db2.gz MXAXNRJNTVDVNK-MRVPVSSYSA-N 0 1 309.326 0.792 20 5 DCBDMN C[C@H](O)CN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332162241 415276080 /nfs/dbraw/zinc/27/60/80/415276080.db2.gz ALLJPHCNSAUGNF-NSHDSACASA-N 0 1 319.365 0.970 20 5 DCBDMN O=[N+]([O-])c1cc(Br)cnc1NCc1nn[nH]n1 ZINC000044883933 415229650 /nfs/dbraw/zinc/22/96/50/415229650.db2.gz ROCRVGKGRPNPPQ-UHFFFAOYSA-N 0 1 300.076 0.878 20 5 DCBDMN CCOCCOCCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000276248918 415457520 /nfs/dbraw/zinc/45/75/20/415457520.db2.gz MZWUKNRQLBUXRT-UHFFFAOYSA-N 0 1 313.354 0.741 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCO[C@]3(CCO[C@H]3C)C2)c1[N+](=O)[O-] ZINC000280118576 415519695 /nfs/dbraw/zinc/51/96/95/415519695.db2.gz RYRKLWJGUSZWGH-LKFCYVNXSA-N 0 1 324.337 0.900 20 5 DCBDMN CCn1c(C)nc([N+](=O)[O-])c1NCCCN1CCC[C@@H]1C(N)=O ZINC000288864649 415694739 /nfs/dbraw/zinc/69/47/39/415694739.db2.gz LGTNCTGVRMVDID-LLVKDONJSA-N 0 1 324.385 0.871 20 5 DCBDMN O=C(NC[C@H](CO)Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000343860537 415754691 /nfs/dbraw/zinc/75/46/91/415754691.db2.gz OSDDBGIJNJFSRL-LLVKDONJSA-N 0 1 304.306 0.899 20 5 DCBDMN Cc1nc(Nc2cnn(CC(=O)NC3CC3)c2)ncc1[N+](=O)[O-] ZINC000295451680 415893812 /nfs/dbraw/zinc/89/38/12/415893812.db2.gz HESGAUMMYUWZOV-UHFFFAOYSA-N 0 1 317.309 0.912 20 5 DCBDMN CO[C@@H](C)c1noc(CN(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])n1 ZINC000357249083 416053406 /nfs/dbraw/zinc/05/34/06/416053406.db2.gz NAVDJOQDXFLHIK-ZETCQYMHSA-N 0 1 324.297 0.989 20 5 DCBDMN COc1ccc(S(=O)(=O)N[C@@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000344897039 416003915 /nfs/dbraw/zinc/00/39/15/416003915.db2.gz FEYFTYIINFZIOP-VIFPVBQESA-N 0 1 317.367 0.832 20 5 DCBDMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CN(C)C ZINC000344924663 416008426 /nfs/dbraw/zinc/00/84/26/416008426.db2.gz WGADLTLZOIYTRK-SECBINFHSA-N 0 1 317.367 0.832 20 5 DCBDMN C[C@@](NC(=O)c1n[nH]cc1[N+](=O)[O-])(C(N)=O)c1ccccc1 ZINC000345340499 416081782 /nfs/dbraw/zinc/08/17/82/416081782.db2.gz CQKQKUSBCBQGLJ-ZDUSSCGKSA-N 0 1 303.278 0.448 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCN(CC(C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000331183909 416280973 /nfs/dbraw/zinc/28/09/73/416280973.db2.gz SHCQZCIDXCGTSL-SNVBAGLBSA-N 0 1 323.353 0.955 20 5 DCBDMN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1cnc[nH]1 ZINC000359679595 416353043 /nfs/dbraw/zinc/35/30/43/416353043.db2.gz JJCHGWNHKOTKAY-VIFPVBQESA-N 0 1 317.305 0.753 20 5 DCBDMN CS(=O)(=O)c1cc(C(=O)NCc2cnc[nH]2)cc([N+](=O)[O-])c1 ZINC000359688388 416353297 /nfs/dbraw/zinc/35/32/97/416353297.db2.gz YYOZOHBGBKCULS-UHFFFAOYSA-N 0 1 324.318 0.651 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CCC(NC(N)=O)CC2)c1[N+](=O)[O-] ZINC000434240537 416464368 /nfs/dbraw/zinc/46/43/68/416464368.db2.gz UGMJBFWWMAVEAP-UHFFFAOYSA-N 0 1 324.341 0.714 20 5 DCBDMN C[C@@H](O)CN1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000439156232 416608795 /nfs/dbraw/zinc/60/87/95/416608795.db2.gz LLUKAJSGHNWQOS-GHMZBOCLSA-N 0 1 322.365 0.585 20 5 DCBDMN CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)n[nH]1 ZINC000546828590 416678749 /nfs/dbraw/zinc/67/87/49/416678749.db2.gz GSJSFLYTCPFKSO-UHFFFAOYSA-N 0 1 320.265 0.724 20 5 DCBDMN O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000542673422 416627601 /nfs/dbraw/zinc/62/76/01/416627601.db2.gz MJQHHSYJAAHQJA-SNVBAGLBSA-N 0 1 313.277 0.955 20 5 DCBDMN CN1CC=C(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000544835787 416661984 /nfs/dbraw/zinc/66/19/84/416661984.db2.gz KVJGLOUGJSIZHR-UHFFFAOYSA-N 0 1 312.351 0.530 20 5 DCBDMN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN[C@H](C)C1 ZINC000429334279 416962927 /nfs/dbraw/zinc/96/29/27/416962927.db2.gz POFBCEZZHLOMLK-MWLCHTKSSA-N 0 1 324.385 0.648 20 5 DCBDMN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN[C@@H](C)C1 ZINC000429334280 416964014 /nfs/dbraw/zinc/96/40/14/416964014.db2.gz POFBCEZZHLOMLK-ONGXEEELSA-N 0 1 324.385 0.648 20 5 DCBDMN CN1CCN(C)[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000524337645 417105142 /nfs/dbraw/zinc/10/51/42/417105142.db2.gz MHTOOULLDCWNFH-CQSZACIVSA-N 0 1 321.381 0.640 20 5 DCBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2CCC(=O)N(C)C2)c1[N+](=O)[O-] ZINC000568647811 417159296 /nfs/dbraw/zinc/15/92/96/417159296.db2.gz RSAMPPGRWDURBG-QMMMGPOBSA-N 0 1 309.326 0.573 20 5 DCBDMN O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000452783674 417502670 /nfs/dbraw/zinc/50/26/70/417502670.db2.gz NCNAGTSLHLHZLJ-LBPRGKRZSA-N 0 1 323.349 0.877 20 5 DCBDMN CN1CC[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000576347490 417602903 /nfs/dbraw/zinc/60/29/03/417602903.db2.gz GSSRNHHNGRJZBA-PWSUYJOCSA-N 0 1 311.363 0.919 20 5 DCBDMN C[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@H](C)N1CCO ZINC000456256770 417639944 /nfs/dbraw/zinc/63/99/44/417639944.db2.gz XNJNHRBMDFXFID-AOOOYVTPSA-N 0 1 324.337 0.223 20 5 DCBDMN Cc1ccc(C[C@H](CO)NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000190945028 261135867 /nfs/dbraw/zinc/13/58/67/261135867.db2.gz RNWRKKAUJQOEDW-LLVKDONJSA-N 0 1 304.306 0.960 20 5 DCBDMN O=C(N[C@H]1CN(c2ccc(F)cc2)C1=O)c1n[nH]cc1[N+](=O)[O-] ZINC000363684408 262127786 /nfs/dbraw/zinc/12/77/86/262127786.db2.gz GEOPCXZNSOQCEV-VIFPVBQESA-N 0 1 319.252 0.602 20 5 DCBDMN O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000363832972 262132886 /nfs/dbraw/zinc/13/28/86/262132886.db2.gz PIZMHOCWCUBQIW-NWDGAFQWSA-N 0 1 321.333 0.893 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CC(O)(C(F)F)C2)c1[N+](=O)[O-] ZINC000425016701 262514271 /nfs/dbraw/zinc/51/42/71/262514271.db2.gz HQKXBQLBMHNACL-UHFFFAOYSA-N 0 1 304.253 0.722 20 5 DCBDMN C[C@@H](CN(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1nn[nH]n1 ZINC000358386989 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/nfs/dbraw/zinc/27/07/10/693270710.db2.gz KHYGSHQXCIZWIQ-MWLCHTKSSA-N 0 1 320.305 0.014 20 5 DCBDMN Cc1conc1CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072725148 694657234 /nfs/dbraw/zinc/65/72/34/694657234.db2.gz JBHSPWGXHQQXTF-DGCLKSJQSA-N 0 1 320.349 0.683 20 5 DCBDMN CCc1nnc(CN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)o1 ZINC001691209262 1157611765 /nfs/dbraw/zinc/61/17/65/1157611765.db2.gz TWDOGDOKBQSHCI-GHMZBOCLSA-N 0 1 323.353 0.378 20 5 DCBDMN CC(C)(C)/C=C/C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001745978200 1158237603 /nfs/dbraw/zinc/23/76/03/1158237603.db2.gz SPMCVCPJACTISO-GKUNOOHESA-N 0 1 309.366 0.829 20 5 DCBDMN CC(C)(C(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC001746017270 1158244230 /nfs/dbraw/zinc/24/42/30/1158244230.db2.gz GTMOBSQWOWUREJ-VXGBXAGGSA-N 0 1 309.366 0.662 20 5 DCBDMN CN(CC(C)(C)CNC(=O)c1ncc[nH]1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001571792074 1162935019 /nfs/dbraw/zinc/93/50/19/1162935019.db2.gz CYKFCWOAGCFSQM-NXEZZACHSA-N 0 1 323.353 0.289 20 5 DCBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1ccc[nH]1 ZINC001687462193 1158641431 /nfs/dbraw/zinc/64/14/31/1158641431.db2.gz GWHSTRYIPAZXSD-VXGBXAGGSA-N 0 1 308.338 0.187 20 5 DCBDMN CC(C)c1nc(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC001569553218 1161141247 /nfs/dbraw/zinc/14/12/47/1161141247.db2.gz RBDUXYCCKHTVII-UHFFFAOYSA-N 0 1 320.309 0.314 20 5 DCBDMN Cc1cc(C(=O)N(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001577024845 1164586042 /nfs/dbraw/zinc/58/60/42/1164586042.db2.gz MXAWGVVUQAWUJZ-MWLCHTKSSA-N 0 1 310.310 0.227 20 5 DCBDMN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(Cc1c[nH]nn1)Cc1ccccc1 ZINC001578029765 1164900963 /nfs/dbraw/zinc/90/09/63/1164900963.db2.gz MASXOVGSJKSDLH-CHWSQXEVSA-N 0 1 301.306 0.999 20 5 DCBDMN CCC(=CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-])CC ZINC001579139771 1165220800 /nfs/dbraw/zinc/22/08/00/1165220800.db2.gz MJNMDZXHKHRNPR-VVSAWPALSA-N 0 1 321.377 0.971 20 5 DCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCN2CCOC[C@@]2(CO)C1 ZINC001620618831 1165725822 /nfs/dbraw/zinc/72/58/22/1165725822.db2.gz OPKKDXBIZABAJO-HNNXBMFYSA-N 0 1 323.349 0.179 20 5 DCBDMN CCN(CCNC(=O)c1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001581033778 1165776785 /nfs/dbraw/zinc/77/67/85/1165776785.db2.gz ZOKHLAWPVVBGKC-CHWSQXEVSA-N 0 1 305.334 0.930 20 5 DCBDMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)/C=C/C1CC1 ZINC001581372671 1165818643 /nfs/dbraw/zinc/81/86/43/1165818643.db2.gz CKGVGMIENPOOAT-FBVTZJDUSA-N 0 1 309.366 0.973 20 5 DCBDMN Cn1ncc([N+](=O)[O-])c1NC(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001581833986 1165885584 /nfs/dbraw/zinc/88/55/84/1165885584.db2.gz OQUOFDDDGQBXEK-UHFFFAOYSA-N 0 1 304.226 0.354 20 5 DCBDMN CN(C(=O)COC(C)(C)C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001585378003 1166426754 /nfs/dbraw/zinc/42/67/54/1166426754.db2.gz YIDYPPPLMPHHRK-GHMZBOCLSA-N 0 1 313.354 0.136 20 5 DCBDMN CCC(CC)NC(=O)[C@@H](C)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001590435909 1166906275 /nfs/dbraw/zinc/90/62/75/1166906275.db2.gz RJDDUGOHDIAPSY-SSDOTTSWSA-N 0 1 322.329 0.837 20 5 DCBDMN Cc1nc(CCNc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])n[nH]1 ZINC001592359779 1167505398 /nfs/dbraw/zinc/50/53/98/1167505398.db2.gz NQCQAICOKKLJNR-UHFFFAOYSA-N 0 1 315.297 0.856 20 5 DCBDMN O=C(NC[C@H](O)Cc1ccccc1F)c1n[nH]cc1[N+](=O)[O-] ZINC001596273467 1167990224 /nfs/dbraw/zinc/99/02/24/1167990224.db2.gz LBHWQRCANZMIOI-SECBINFHSA-N 0 1 308.269 0.790 20 5 DCBDMN O=C([O-])[C@@H]1C[C@H](O)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001601769482 1168867557 /nfs/dbraw/zinc/86/75/57/1168867557.db2.gz OFQDGULDMJVCKQ-MNOVXSKESA-N 0 1 310.306 0.741 20 5 DCBDMN COC(=O)[C@H](CC(C)C)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001604902336 1169737240 /nfs/dbraw/zinc/73/72/40/1169737240.db2.gz GRFNMZDMVIMJGC-ZETCQYMHSA-N 0 1 309.286 0.732 20 5 DCBDMN O=[N+]([O-])c1ccc(OCCn2cc(-c3nn[nH]n3)nn2)cc1 ZINC001607082979 1170383872 /nfs/dbraw/zinc/38/38/72/1170383872.db2.gz XPPKWDMXFSYZSQ-UHFFFAOYSA-N 0 1 302.254 0.445 20 5 DCBDMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc([N+](=O)[O-])c1 ZINC001609538068 1171013035 /nfs/dbraw/zinc/01/30/35/1171013035.db2.gz PGRJSTYHTMARHC-UHFFFAOYSA-N 0 1 315.253 0.005 20 5 DCBDMN O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001609550475 1171018342 /nfs/dbraw/zinc/01/83/42/1171018342.db2.gz WDEIUGGPNSHUQE-GHMZBOCLSA-N 0 1 318.293 0.027 20 5 DCBDMN C[N@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H](C(=O)[O-])C1 ZINC001610136722 1171169452 /nfs/dbraw/zinc/16/94/52/1171169452.db2.gz NAQDJIPXIQGXCM-SNVBAGLBSA-N 0 1 307.306 0.683 20 5 DCBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c1 ZINC001610842220 1171337349 /nfs/dbraw/zinc/33/73/49/1171337349.db2.gz SBGYPSVYPLODJJ-WCQYABFASA-N 0 1 310.306 0.468 20 5 DCBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c1 ZINC001610842220 1171337360 /nfs/dbraw/zinc/33/73/60/1171337360.db2.gz SBGYPSVYPLODJJ-WCQYABFASA-N 0 1 310.306 0.468 20 5 DCBDMN C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC001612950149 1171365572 /nfs/dbraw/zinc/36/55/72/1171365572.db2.gz GTWMTPXJHRVOSJ-ONGXEEELSA-N 0 1 322.369 0.135 20 5 DCBDMN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)n1 ZINC001618102457 1171395070 /nfs/dbraw/zinc/39/50/70/1171395070.db2.gz ZJPBCMRIFMVJLJ-QWRGUYRKSA-N 0 1 324.385 0.175 20 5 DCBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NCCO)c2)CC1 ZINC001627711709 1171510426 /nfs/dbraw/zinc/51/04/26/1171510426.db2.gz WYASGYAOIIKXBJ-UHFFFAOYSA-N 0 1 323.353 0.460 20 5 DCBDMN CN(CC1CN(C)C1)C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001627697462 1171511136 /nfs/dbraw/zinc/51/11/36/1171511136.db2.gz PQIXXLKWRRVFID-UHFFFAOYSA-N 0 1 321.337 0.719 20 5 DCBDMN O=C(Nc1cccc(C2CC(=O)NC(=O)C2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001636154604 1171728863 /nfs/dbraw/zinc/72/88/63/1171728863.db2.gz FWEWKFHPHLDVLB-VXGBXAGGSA-N 0 1 317.301 0.811 20 5 DCBDMN O=C(NC[C@H]1CCN(CC(F)F)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001636573478 1171742174 /nfs/dbraw/zinc/74/21/74/1171742174.db2.gz WFVLGAGPYOBJOK-SSDOTTSWSA-N 0 1 303.269 0.635 20 5 DCBDMN Nc1ncc(C(=O)N[C@H]2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC001637133297 1171758757 /nfs/dbraw/zinc/75/87/57/1171758757.db2.gz CUFDYKLWKLLFFU-QMMMGPOBSA-N 0 1 302.294 0.582 20 5 DCBDMN Cc1n[nH]c(C(=O)N2CCc3ccnc(N)c3C2)c1[N+](=O)[O-] ZINC001642211666 1171940165 /nfs/dbraw/zinc/94/01/65/1171940165.db2.gz DKCMFDVCPPFFHV-UHFFFAOYSA-N 0 1 302.294 0.802 20 5 DCBDMN CCc1[nH]nc(C(=O)N2C[C@H](OC)C[C@]2(C)CO)c1[N+](=O)[O-] ZINC001642620889 1171952659 /nfs/dbraw/zinc/95/26/59/1171952659.db2.gz PPYHOJNMOIFNRL-AMIZOPFISA-N 0 1 312.326 0.492 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCC(c3nnnn3C)CC2)c1[N+](=O)[O-] ZINC001644875232 1172023543 /nfs/dbraw/zinc/02/35/43/1172023543.db2.gz MBLAJTKYTHBKNB-UHFFFAOYSA-N 0 1 320.313 0.170 20 5 DCBDMN COC[C@@H]1COCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC001646244598 1172301833 /nfs/dbraw/zinc/30/18/33/1172301833.db2.gz PPILBAYLXPCJIS-SECBINFHSA-N 0 1 312.326 0.929 20 5 DCBDMN CNc1ccc(C(=O)NC2(c3nn[nH]n3)CCC2)cc1[N+](=O)[O-] ZINC001651218574 1173744408 /nfs/dbraw/zinc/74/44/08/1173744408.db2.gz NIHUFZKLVZUGSE-UHFFFAOYSA-N 0 1 317.309 0.959 20 5 DCBDMN O=C(N[C@@H]1CCS(=O)(=O)C2(CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001652398425 1173770063 /nfs/dbraw/zinc/77/00/63/1173770063.db2.gz ODYMCAAKRPIIKW-OPRDCNLKSA-N 0 1 302.352 0.268 20 5 DCBDMN COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])[C@@H]2C1 ZINC001652969618 1173779995 /nfs/dbraw/zinc/77/99/95/1173779995.db2.gz MNZFQDGBXIVVMV-BGZDPUMWSA-N 0 1 308.294 0.635 20 5 DCBDMN O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](c3nnn[n-]3)C2)cc1 ZINC001655439191 1173821046 /nfs/dbraw/zinc/82/10/46/1173821046.db2.gz JRRMSTAVPFSJMN-JQWIXIFHSA-N 0 1 304.310 0.631 20 5 DCBDMN O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@H](c3nnn[n-]3)C2)cc1 ZINC001655439191 1173821049 /nfs/dbraw/zinc/82/10/49/1173821049.db2.gz JRRMSTAVPFSJMN-JQWIXIFHSA-N 0 1 304.310 0.631 20 5 DCBDMN Cn1ncc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC001658156128 1173920600 /nfs/dbraw/zinc/92/06/00/1173920600.db2.gz IRTOODLVBTUNMM-UHFFFAOYSA-N 0 1 317.353 0.877 20 5 DCBDMN CC(=O)N[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001659074060 1173929488 /nfs/dbraw/zinc/92/94/88/1173929488.db2.gz ZXZMNYJYUVDVSR-CHWSQXEVSA-N 0 1 323.349 0.545 20 5 DCBDMN CN(Cc1cccc(=O)[nH]1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001660319398 1173976804 /nfs/dbraw/zinc/97/68/04/1173976804.db2.gz GVBCCJAALIRFBZ-GFCCVEGCSA-N 0 1 307.310 0.385 20 5 DCBDMN C[C@](Cn1cccn1)(NCCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001660572130 1174014055 /nfs/dbraw/zinc/01/40/55/1174014055.db2.gz GEPUDTOUJCIDDB-OAHLLOKOSA-N 0 1 317.349 0.868 20 5 DCBDMN COc1ccc(CNC[C@H](O)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC001663377762 1174292360 /nfs/dbraw/zinc/29/23/60/1174292360.db2.gz CBFSHFBNEXVENG-JTQLQIEISA-N 0 1 318.351 0.099 20 5 DCBDMN Cc1[nH]ncc1CN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001663549523 1174319664 /nfs/dbraw/zinc/31/96/64/1174319664.db2.gz GSYDDGAKZNZVEW-UHFFFAOYSA-N 0 1 314.327 0.181 20 5 DCBDMN C[C@H]1C[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCS1 ZINC001664601575 1174442840 /nfs/dbraw/zinc/44/28/40/1174442840.db2.gz WJJVETAKYDOGSI-YUMQZZPRSA-N 0 1 320.396 0.891 20 5 DCBDMN CC(C)=CC(=O)NCCOCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001679598592 1175740796 /nfs/dbraw/zinc/74/07/96/1175740796.db2.gz VGWDTRZFPAZBLN-VXGBXAGGSA-N 0 1 313.354 0.209 20 5 DCBDMN CCN(CCCNC(=O)c1ccnnc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001687786253 1176289345 /nfs/dbraw/zinc/28/93/45/1176289345.db2.gz VMFKJWDCZOXABD-VXGBXAGGSA-N 0 1 321.337 0.110 20 5 DCBDMN O=C(CC(F)(F)F)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001688013634 1176332684 /nfs/dbraw/zinc/33/26/84/1176332684.db2.gz SGKFTVNVZQKNEE-WCTZXXKLSA-N 0 1 309.244 0.367 20 5 DCBDMN CC(F)(F)CCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001688021163 1176336884 /nfs/dbraw/zinc/33/68/84/1176336884.db2.gz DEWWYWACIIRCQM-ZYUZMQFOSA-N 0 1 319.308 0.850 20 5 DCBDMN CCCC1(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001688050284 1176345658 /nfs/dbraw/zinc/34/56/58/1176345658.db2.gz VSIRGZLKAMXEHJ-WRWGMCAJSA-N 0 1 309.366 0.995 20 5 DCBDMN O=C(CCC(F)F)NCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001688494005 1176509246 /nfs/dbraw/zinc/50/92/46/1176509246.db2.gz RJHZQHIICHDOGK-NXEZZACHSA-N 0 1 319.308 0.804 20 5 DCBDMN CN(CCCNC(=O)c1ccn(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001703565499 1179594748 /nfs/dbraw/zinc/59/47/48/1179594748.db2.gz SUZGDGFGUCMCEK-VXGBXAGGSA-N 0 1 308.338 0.269 20 5 DCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1C(C)(C)C1(C)C ZINC001704202657 1179928337 /nfs/dbraw/zinc/92/83/37/1179928337.db2.gz ILXHFLSRUUICEK-NXEZZACHSA-N 0 1 311.382 0.908 20 5 DCBDMN C/C(=C/C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001705254038 1180320917 /nfs/dbraw/zinc/32/09/17/1180320917.db2.gz RWDNWNANJTXLAV-REIMVRAHSA-N 0 1 307.350 0.773 20 5 DCBDMN CN(CCNCC(F)(F)C(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001713591301 1180949729 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DCBDMN O=C(NCC1(NCc2nnc(C3CC3)o2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001723515775 1184322878 /nfs/dbraw/zinc/32/28/78/1184322878.db2.gz WFPUKQFKVQHIOM-NXEZZACHSA-N 0 1 321.337 0.351 20 5 DCBDMN NC(=O)CC(=O)NCC1(NCc2ccccc2[N+](=O)[O-])CC1 ZINC001733240630 1186198890 /nfs/dbraw/zinc/19/88/90/1186198890.db2.gz DYFZTSIOVDNWRK-UHFFFAOYSA-N 0 1 306.322 0.209 20 5 DCBDMN CC(F)(F)CCC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001736639371 1187012027 /nfs/dbraw/zinc/01/20/27/1187012027.db2.gz NJAWQLHXCQNVCA-NXEZZACHSA-N 0 1 319.308 0.758 20 5 DCBDMN Cc1ncccc1C(=O)N(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001738358198 1187518469 /nfs/dbraw/zinc/51/84/69/1187518469.db2.gz MFOCIUWVCPDPIB-CHWSQXEVSA-N 0 1 320.349 0.586 20 5 DCBDMN Cc1cccc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001738751542 1187647503 /nfs/dbraw/zinc/64/75/03/1187647503.db2.gz YJMRHUXYFXXVNR-ZYHUDNBSSA-N 0 1 318.333 0.434 20 5 DCBDMN Cc1conc1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001739062018 1187736988 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HYBKHUGJNURPBY-IHWYPQMZSA-N 0 1 317.309 0.814 20 5 DCBDMN Cc1ncc(CN)c(=N)n1-c1cc2c(c([N+](=O)[O-])c1)NN(C)C2 ZINC001167676833 747532055 /nfs/dbraw/zinc/53/20/55/747532055.db2.gz ANDKOQPDQKBZFW-UHFFFAOYSA-N 0 1 315.337 0.799 20 5 DCBDMN CCC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058628282 747808440 /nfs/dbraw/zinc/80/84/40/747808440.db2.gz ZPTHBZFBXFEZQS-GHMZBOCLSA-N 0 1 315.370 0.025 20 5 DCBDMN O=C(Cc1cncnc1)NCCNCc1ccccc1[N+](=O)[O-] ZINC001126403045 748708433 /nfs/dbraw/zinc/70/84/33/748708433.db2.gz QLQGLHXLSXSKNC-UHFFFAOYSA-N 0 1 315.333 0.833 20 5 DCBDMN O=C(N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1)c1cnn[nH]1 ZINC001059880714 749672726 /nfs/dbraw/zinc/67/27/26/749672726.db2.gz ZTLDFUCIKORKIR-OCAPTIKFSA-N 0 1 303.282 0.481 20 5 DCBDMN COCc1nc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001126932432 750143897 /nfs/dbraw/zinc/14/38/97/750143897.db2.gz XOOYEVIBKOZXSG-NXEZZACHSA-N 0 1 314.367 0.161 20 5 DCBDMN CSCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062472934 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DCBDMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN(C)C ZINC000121568963 415809103 /nfs/dbraw/zinc/80/91/03/415809103.db2.gz MPXOALPZWQNZAD-UHFFFAOYSA-N 0 1 303.340 0.443 20 5 DCBDMN C[C@H](CS(C)(=O)=O)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356587703 415956693 /nfs/dbraw/zinc/95/66/93/415956693.db2.gz FFOLKRHDMWWHNZ-MRVPVSSYSA-N 0 1 316.335 0.806 20 5 DCBDMN COc1c(C(=O)N(C)C[C@@H](C)c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC000356759191 415983021 /nfs/dbraw/zinc/98/30/21/415983021.db2.gz DWAWEYIOOMZBPF-MRVPVSSYSA-N 0 1 320.309 0.992 20 5 DCBDMN CO[C@H]1C[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])nn2C)N(C)C1 ZINC000344510021 415933244 /nfs/dbraw/zinc/93/32/44/415933244.db2.gz KNIXUPFPQWYYMX-UWVGGRQHSA-N 0 1 311.342 0.119 20 5 DCBDMN COCCn1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000356511607 415936890 /nfs/dbraw/zinc/93/68/90/415936890.db2.gz LECYJHKWNDILGM-UHFFFAOYSA-N 0 1 306.278 1.396 20 5 DCBDMN O=C(NCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccn[nH]1 ZINC000356991943 416018179 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O=C(NCCNC(=O)c1ccc(O)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000436743473 416570125 /nfs/dbraw/zinc/57/01/25/416570125.db2.gz YHWOMPDZEZXYCX-UHFFFAOYSA-N 0 1 319.277 0.183 20 5 DCBDMN Nc1c(C(=O)N2CC[C@@H](c3nc[nH]n3)C2)cccc1[N+](=O)[O-] ZINC000425063113 416682284 /nfs/dbraw/zinc/68/22/84/416682284.db2.gz FEAYLSRWMXUIMU-MRVPVSSYSA-N 0 1 302.294 0.925 20 5 DCBDMN Cc1n[nH]c(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000609285904 416653285 /nfs/dbraw/zinc/65/32/85/416653285.db2.gz RVZBVCOKPMIWMY-QWRGUYRKSA-N 0 1 323.353 0.298 20 5 DCBDMN COC(=O)C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccncc1 ZINC000615834845 416918263 /nfs/dbraw/zinc/91/82/63/416918263.db2.gz LGLAZCHCNHUHIV-VIFPVBQESA-N 0 1 319.277 0.747 20 5 DCBDMN O=C(CN[C@@H](CO)[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000447903646 417040280 /nfs/dbraw/zinc/04/02/80/417040280.db2.gz NRPPFMRYFRDGDM-WCQYABFASA-N 0 1 309.322 0.663 20 5 DCBDMN CC[C@@H](C)N1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000570410039 417353522 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FMCZCPFMHRINJL-FMKGYKFTSA-N 0 1 317.345 0.976 20 5 DCBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1C[C@H](NC(=O)c2cnco2)C1 ZINC001020447236 657665080 /nfs/dbraw/zinc/66/50/80/657665080.db2.gz OLRQJGOCMJSCSQ-KYZUINATSA-N 0 1 320.309 0.367 20 5 DCBDMN Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC000972935976 658712714 /nfs/dbraw/zinc/71/27/14/658712714.db2.gz GEXSSDYSGGQEAJ-GWOFURMSSA-N 0 1 307.306 0.630 20 5 DCBDMN Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC000972995311 658860226 /nfs/dbraw/zinc/86/02/26/658860226.db2.gz QCDAFRYAOMFHKP-FDYHWXHSSA-N 0 1 318.333 0.432 20 5 DCBDMN Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)on1 ZINC000973868808 658984222 /nfs/dbraw/zinc/98/42/22/658984222.db2.gz AUKBHBWUONHZOC-UTINFBMNSA-N 0 1 308.294 0.025 20 5 DCBDMN Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1C ZINC000973875843 658995254 /nfs/dbraw/zinc/99/52/54/658995254.db2.gz UVSSWWBAZRMIHH-LSCVPOLPSA-N 0 1 320.349 0.376 20 5 DCBDMN 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661783325 /nfs/dbraw/zinc/78/33/25/661783325.db2.gz SHEMFEBKDGZJRD-GHMZBOCLSA-N 0 1 314.319 0.767 20 5 DCBDMN NC(=O)[C@H](Cc1ccc(Cl)cc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673372 661887455 /nfs/dbraw/zinc/88/74/55/661887455.db2.gz MIUMIAJJPTYBPB-MXWKQRLJSA-N 0 1 312.709 0.945 20 5 DCBDMN CN(CC[N@@H+](C)CCO)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000894590375 661985247 /nfs/dbraw/zinc/98/52/47/661985247.db2.gz GAHFORYEQJFTKO-UHFFFAOYSA-N 0 1 311.367 0.960 20 5 DCBDMN CC(C)=C(F)C(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940724010 665839310 /nfs/dbraw/zinc/83/93/10/665839310.db2.gz RJKUQDZEGWGPAP-GHMZBOCLSA-N 0 1 313.329 0.976 20 5 DCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(C(=O)C2(C3CC3)CC2)CC1 ZINC000941008092 665907066 /nfs/dbraw/zinc/90/70/66/665907066.db2.gz WUGCXHYOVUZZMD-CHWSQXEVSA-N 0 1 321.377 0.903 20 5 DCBDMN CC(C)(C)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000905908150 663588472 /nfs/dbraw/zinc/58/84/72/663588472.db2.gz JYNPVPPVFUJGSN-BBBLOLIVSA-N 0 1 304.368 0.323 20 5 DCBDMN O=C(NC1CN(C(=O)c2ccc(Cl)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991291980 663956459 /nfs/dbraw/zinc/95/64/59/663956459.db2.gz APVQLPZKJFWRGG-VXGBXAGGSA-N 0 1 323.736 0.946 20 5 DCBDMN O=C(COc1ccccc1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991293269 663960128 /nfs/dbraw/zinc/96/01/28/663960128.db2.gz LWFDNYVDWCCSKS-CHWSQXEVSA-N 0 1 319.317 0.058 20 5 DCBDMN CCc1noc(C)c1CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030292627 664504536 /nfs/dbraw/zinc/50/45/36/664504536.db2.gz PQADRILZYJZBNR-ZWNOBZJWSA-N 0 1 308.338 0.511 20 5 DCBDMN CC(C)(C)c1noc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001030292669 664504620 /nfs/dbraw/zinc/50/46/20/664504620.db2.gz RJNWRYPVAGMMBF-NXEZZACHSA-N 0 1 323.353 0.333 20 5 DCBDMN CC(C)n1cccc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991794355 664561374 /nfs/dbraw/zinc/56/13/74/664561374.db2.gz YYEUVTGNKSOBFY-DGCLKSJQSA-N 0 1 320.349 0.675 20 5 DCBDMN CC(C)c1noc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001031662250 665273721 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O=C1OC[C@@]2(CNCc3csc([N+](=O)[O-])c3)COCCN12 ZINC000865768417 667344795 /nfs/dbraw/zinc/34/47/95/667344795.db2.gz IOBRLXFPHDIOLX-GFCCVEGCSA-N 0 1 313.335 0.967 20 5 DCBDMN COC(=O)[C@H]1CN(C)CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886244946 667745318 /nfs/dbraw/zinc/74/53/18/667745318.db2.gz FXGTVVGEOSGUBD-LBPRGKRZSA-N 0 1 308.338 0.526 20 5 DCBDMN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCc1cnc[nH]1 ZINC000748319994 667923446 /nfs/dbraw/zinc/92/34/46/667923446.db2.gz FFFKALKARFHAED-UHFFFAOYSA-N 0 1 300.278 0.984 20 5 DCBDMN C[C@]1(NC(=O)C(F)(F)F)CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000872753060 667936009 /nfs/dbraw/zinc/93/60/09/667936009.db2.gz IZRSFFJNNIRKMG-JTQLQIEISA-N 0 1 321.259 0.892 20 5 DCBDMN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839573611 668118123 /nfs/dbraw/zinc/11/81/23/668118123.db2.gz DNFJYJUTTRJMOC-DDHJBXDOSA-N 0 1 313.354 0.041 20 5 DCBDMN O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C(F)(F)F ZINC000839779293 668141651 /nfs/dbraw/zinc/14/16/51/668141651.db2.gz ZPVWPKVXBVILCF-DJLDLDEBSA-N 0 1 323.271 0.569 20 5 DCBDMN Nc1ccc(C(=O)Nc2nc(SCCO)n[nH]2)cc1[N+](=O)[O-] ZINC000762591444 668368762 /nfs/dbraw/zinc/36/87/62/668368762.db2.gz QMQTVVWSWUDWRH-UHFFFAOYSA-N 0 1 324.322 0.632 20 5 DCBDMN COC(=O)[C@]12CN(Cc3cn(C)nc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000877492560 668623432 /nfs/dbraw/zinc/62/34/32/668623432.db2.gz ZWWPGDNWOIGHJH-SMDDNHRTSA-N 0 1 324.337 0.340 20 5 DCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCn2cnc(C(F)(F)F)c2C1 ZINC000881646508 669360895 /nfs/dbraw/zinc/36/08/95/669360895.db2.gz ALSIJBQCXNKGHR-RNFRBKRXSA-N 0 1 304.228 0.909 20 5 DCBDMN Nc1ccc(C(=O)N[C@@H](CO)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000808079554 670388242 /nfs/dbraw/zinc/38/82/42/670388242.db2.gz KHDXWOKQZGDMGP-GFCCVEGCSA-N 0 1 322.365 0.754 20 5 DCBDMN O=C(NCC1CCN(C(=O)c2cocn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000952271550 670471049 /nfs/dbraw/zinc/47/10/49/670471049.db2.gz VRLACMZKRUJRQQ-ZYHUDNBSSA-N 0 1 322.321 0.308 20 5 DCBDMN O=C(/C=C/C1CC1)N1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000952271528 670471059 /nfs/dbraw/zinc/47/10/59/670471059.db2.gz QRZIRMLMROQLLA-LSMGEYOZSA-N 0 1 321.377 0.973 20 5 DCBDMN CCN1CCN(CC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000854497466 670578207 /nfs/dbraw/zinc/57/82/07/670578207.db2.gz PVZHOCHNCRQECS-UHFFFAOYSA-N 0 1 307.354 0.753 20 5 DCBDMN NC(=O)c1[nH]nnc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000813375263 670624029 /nfs/dbraw/zinc/62/40/29/670624029.db2.gz PTXQIXYOVGDQEL-UHFFFAOYSA-N 0 1 312.192 0.342 20 5 DCBDMN CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855073136 670676640 /nfs/dbraw/zinc/67/66/40/670676640.db2.gz VLJCJRPZSOGZMZ-OPRDCNLKSA-N 0 1 300.311 0.221 20 5 DCBDMN CN(CC1CN(C)C1)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000855639186 670737598 /nfs/dbraw/zinc/73/75/98/670737598.db2.gz DNLSDHVCGIRILN-UHFFFAOYSA-N 0 1 317.349 0.965 20 5 DCBDMN O=C(CNS(=O)(=O)c1ncccc1[N+](=O)[O-])OCC1CC1 ZINC000849373792 670783182 /nfs/dbraw/zinc/78/31/82/670783182.db2.gz VFVWZRMFUYLHCR-UHFFFAOYSA-N 0 1 315.307 0.221 20 5 DCBDMN C[S@@](=O)CCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000849377916 670783422 /nfs/dbraw/zinc/78/34/22/670783422.db2.gz QUAAMPAADFCSHO-GOSISDBHSA-N 0 1 307.353 0.037 20 5 DCBDMN O=C(Oc1cccc(C(=O)N2CCOCC2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000857672037 670938077 /nfs/dbraw/zinc/93/80/77/670938077.db2.gz LQYUHNARAFDRPK-CHWSQXEVSA-N 0 1 320.301 0.730 20 5 DCBDMN [NH3+]CCCOCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000858632369 671024472 /nfs/dbraw/zinc/02/44/72/671024472.db2.gz RNCOKDVAGWTSKV-UHFFFAOYSA-N 0 1 321.330 0.378 20 5 DCBDMN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000819721596 671134794 /nfs/dbraw/zinc/13/47/94/671134794.db2.gz BKBCFSBZESPHPV-ZYHUDNBSSA-N 0 1 317.305 0.762 20 5 DCBDMN COC(=O)NC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000852766495 671158725 /nfs/dbraw/zinc/15/87/25/671158725.db2.gz CPWOVBBBPZPWLO-UHFFFAOYSA-N 0 1 324.337 0.577 20 5 DCBDMN C[C@@H](CS(=O)(=O)N1CCCC1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000822034302 671303971 /nfs/dbraw/zinc/30/39/71/671303971.db2.gz ZCZBVNMMOLVMOY-IVZWLZJFSA-N 0 1 306.340 0.009 20 5 DCBDMN O=C(NCCN1CC[C@@H](O)C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000827528036 671530693 /nfs/dbraw/zinc/53/06/93/671530693.db2.gz FSGJSMXKYAXTHU-QLFBSQMISA-N 0 1 319.361 0.881 20 5 DCBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])NC[C@H]1Cc2ccccc2O1 ZINC000840673156 671898193 /nfs/dbraw/zinc/89/81/93/671898193.db2.gz RSRXUXNPHOAFAX-IJLUTSLNSA-N 0 1 320.301 0.315 20 5 DCBDMN Cn1nccc1[C@H](CO)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843106524 672062588 /nfs/dbraw/zinc/06/25/88/672062588.db2.gz BFLNNPAHYAQLNJ-JSGCOSHPSA-N 0 1 306.322 0.685 20 5 DCBDMN O=C(NCCc1cccc([N+](=O)[O-])c1)C1CN([C@@H]2CCOC2)C1 ZINC000897241293 685440526 /nfs/dbraw/zinc/44/05/26/685440526.db2.gz HRQGRWIVKBAPLU-OAHLLOKOSA-N 0 1 319.361 0.974 20 5 DCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)Cc2ccoc2)C1 ZINC000954240776 685977668 /nfs/dbraw/zinc/97/76/68/685977668.db2.gz XKNXZMJMWCUYFC-VXGBXAGGSA-N 0 1 307.306 0.157 20 5 DCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2coc(C)n2)C1 ZINC000967950557 690135241 /nfs/dbraw/zinc/13/52/41/690135241.db2.gz UKCPXBDARFIBDO-ZYHUDNBSSA-N 0 1 322.321 0.321 20 5 DCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C(=O)C2CC3(CC3)C2)CC1 ZINC001011115804 691472970 /nfs/dbraw/zinc/47/29/70/691472970.db2.gz WJEYUCFCAVUCLW-VXGBXAGGSA-N 0 1 307.350 0.513 20 5 DCBDMN O=C(NC1CC2(C1)CC(NC(=O)C1CCC1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC001013941749 691946916 /nfs/dbraw/zinc/94/69/16/691946916.db2.gz JMXFBHLLNYDRHU-FIRKGOOJSA-N 0 1 321.377 0.995 20 5 DCBDMN CC(C)c1noc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001020139110 693709405 /nfs/dbraw/zinc/70/94/05/693709405.db2.gz RAEAIXZANFIBEB-GWOFURMSSA-N 0 1 323.353 0.595 20 5 DCBDMN CNC(=O)NCC(=O)N(C)CCNCc1ccccc1[N+](=O)[O-] ZINC001691340064 1157647371 /nfs/dbraw/zinc/64/73/71/1157647371.db2.gz UUYQAXBQXQGEQC-UHFFFAOYSA-N 0 1 323.353 0.072 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1ccco1 ZINC001745308788 1157889123 /nfs/dbraw/zinc/88/91/23/1157889123.db2.gz YTYUXQRFUXTBEM-VXGBXAGGSA-N 0 1 309.322 0.452 20 5 DCBDMN Cc1cnoc1C(=O)N(C)CCNCc1c([N+](=O)[O-])ncn1C ZINC001691541146 1158326880 /nfs/dbraw/zinc/32/68/80/1158326880.db2.gz YFRSODKMJQRBQO-UHFFFAOYSA-N 0 1 322.325 0.487 20 5 DCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ncnn1C(C)(C)C ZINC001567281358 1160295057 /nfs/dbraw/zinc/29/50/57/1160295057.db2.gz KQMHXCLINHISNL-GHMZBOCLSA-N 0 1 324.385 0.246 20 5 DCBDMN COc1cccc(C(=O)N[C@H](CO)CN2CCCC2)c1[N+](=O)[O-] ZINC001569932419 1161329928 /nfs/dbraw/zinc/32/99/28/1161329928.db2.gz PNJGRCCJQASPQP-NSHDSACASA-N 0 1 323.349 0.790 20 5 DCBDMN C[C@@](N)(C(=O)NC[C@@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC001576082003 1164234673 /nfs/dbraw/zinc/23/46/73/1164234673.db2.gz RNSATDWTWKFIAD-OCCSQVGLSA-N 0 1 309.322 0.300 20 5 DCBDMN CCN1C[C@H](NC(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC1=O ZINC001577759574 1164783458 /nfs/dbraw/zinc/78/34/58/1164783458.db2.gz HNNGBOWTVUOVAG-ABAIWWIYSA-N 0 1 320.349 0.506 20 5 DCBDMN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@@H](CO)Cc1c[nH]nn1 ZINC001578025737 1164902850 /nfs/dbraw/zinc/90/28/50/1164902850.db2.gz REERBADIGSFRPB-SECBINFHSA-N 0 1 324.272 0.577 20 5 DCBDMN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@@H](CO)Cc1cnn[nH]1 ZINC001578025737 1164902858 /nfs/dbraw/zinc/90/28/58/1164902858.db2.gz REERBADIGSFRPB-SECBINFHSA-N 0 1 324.272 0.577 20 5 DCBDMN O=[N+]([O-])c1cnc2ccc(F)cc2c1N[C@H](CO)c1c[nH]nn1 ZINC001578051130 1164908789 /nfs/dbraw/zinc/90/87/89/1164908789.db2.gz JOHHXGBMRKVYRF-LLVKDONJSA-N 0 1 318.268 0.968 20 5 DCBDMN COc1cc([N+](=O)[O-])cnc1NC(=O)CNC[C@@H]1CCCO1 ZINC001579181054 1165232337 /nfs/dbraw/zinc/23/23/37/1165232337.db2.gz VETQFNADPJDXPY-JTQLQIEISA-N 0 1 310.310 0.706 20 5 DCBDMN CCN(CCNC(=O)CCc1ccon1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001581134081 1165788976 /nfs/dbraw/zinc/78/89/76/1165788976.db2.gz QYMJARYSODDLQW-VXGBXAGGSA-N 0 1 324.337 0.237 20 5 DCBDMN Cc1ccoc1CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001584953598 1166388274 /nfs/dbraw/zinc/38/82/74/1166388274.db2.gz DQOUAXZGXJZOLQ-GHMZBOCLSA-N 0 1 321.333 0.561 20 5 DCBDMN C[C@H](C(=O)NC(C)(C)C)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001588965932 1166624220 /nfs/dbraw/zinc/62/42/20/1166624220.db2.gz POENCOCSPSYOJC-ZCFIWIBFSA-N 0 1 308.302 0.447 20 5 DCBDMN CC(C)N(C(=O)Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1)C(C)C ZINC001589673074 1166671952 /nfs/dbraw/zinc/67/19/52/1166671952.db2.gz RQQXJIVOLYKAGS-UHFFFAOYSA-N 0 1 322.329 0.617 20 5 DCBDMN CC(C)c1nnc(Cn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)s1 ZINC001589778246 1166685169 /nfs/dbraw/zinc/68/51/69/1166685169.db2.gz BGGQDFVXQXAOKA-UHFFFAOYSA-N 0 1 321.326 0.995 20 5 DCBDMN CCCN(CCC)C(=O)Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001590622934 1166950638 /nfs/dbraw/zinc/95/06/38/1166950638.db2.gz QFBZSYJIEJJJIL-UHFFFAOYSA-N 0 1 322.329 0.620 20 5 DCBDMN COc1ccc(Cn2cc(-c3nn[nH]n3)nn2)cc1[N+](=O)[O-] ZINC001591604990 1167336369 /nfs/dbraw/zinc/33/63/69/1167336369.db2.gz VBVDZYGDTPUBGS-UHFFFAOYSA-N 0 1 302.254 0.423 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCO[C@H](c3ccnn3C)C2)c1[N+](=O)[O-] ZINC001598156087 1168018705 /nfs/dbraw/zinc/01/87/05/1168018705.db2.gz VDTWOOCVWLMZMW-JTQLQIEISA-N 0 1 320.309 0.574 20 5 DCBDMN Cc1noc(CN2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)c1[N+](=O)[O-] ZINC001600813282 1168342276 /nfs/dbraw/zinc/34/22/76/1168342276.db2.gz VPNYUEMWZNYSHX-VIFPVBQESA-N 0 1 312.326 0.872 20 5 DCBDMN O=C([O-])[C@@H](CF)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001601648440 1168802569 /nfs/dbraw/zinc/80/25/69/1168802569.db2.gz BPSIPMYJODJZSC-MRVPVSSYSA-N 0 1 300.242 0.878 20 5 DCBDMN O=C([O-])[C@@]1(O)CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001601722840 1168830391 /nfs/dbraw/zinc/83/03/91/1168830391.db2.gz YROWTUCIHAVWKX-CQSZACIVSA-N 0 1 310.306 0.885 20 5 DCBDMN O=C([O-])COc1ccc(C[N@@H+]2CC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC001602083161 1168991116 /nfs/dbraw/zinc/99/11/16/1168991116.db2.gz JGWIQYHUJYWPQW-LLVKDONJSA-N 0 1 310.306 0.872 20 5 DCBDMN Cc1ccnc(NCCn2cnc(-c3nn[nH]n3)n2)c1[N+](=O)[O-] ZINC001605959208 1170038020 /nfs/dbraw/zinc/03/80/20/1170038020.db2.gz DVSPQYCZVYSRQL-UHFFFAOYSA-N 0 1 316.285 0.182 20 5 DCBDMN C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)CC(=O)[O-] ZINC001606094820 1170073963 /nfs/dbraw/zinc/07/39/63/1170073963.db2.gz DQVKWPGCKFUYNT-JTQLQIEISA-N 0 1 300.315 0.337 20 5 DCBDMN CN1CC[NH+](CCCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001606240861 1170133043 /nfs/dbraw/zinc/13/30/43/1170133043.db2.gz HAIQGRAXOQZXSZ-UHFFFAOYSA-N 0 1 323.353 0.737 20 5 DCBDMN C[N@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C(=O)[O-])C1 ZINC001606245452 1170135172 /nfs/dbraw/zinc/13/51/72/1170135172.db2.gz HVPWFCRTQPBHQH-JTQLQIEISA-N 0 1 322.321 0.146 20 5 DCBDMN C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@]1(C)C(=O)[O-] ZINC001607477977 1170463660 /nfs/dbraw/zinc/46/36/60/1170463660.db2.gz UXEDJFZMOUHTLE-HZMBPMFUSA-N 0 1 309.322 0.799 20 5 DCBDMN CN1CC[NH+](CCCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001610132851 1171168641 /nfs/dbraw/zinc/16/86/41/1171168641.db2.gz ADORGHRHUFPSQA-UHFFFAOYSA-N 0 1 323.353 0.737 20 5 DCBDMN CN1C[C@@H](CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)OC1=O ZINC001620495281 1171403986 /nfs/dbraw/zinc/40/39/86/1171403986.db2.gz KQIWXMJQNGRTOI-OCCSQVGLSA-N 0 1 309.322 0.843 20 5 DCBDMN CCc1nc([C@@H]2C[C@@H](O)CN2CCn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC001620674653 1171405211 /nfs/dbraw/zinc/40/52/11/1171405211.db2.gz CWBDBXZYDFRHOB-MNOVXSKESA-N 0 1 321.341 0.280 20 5 DCBDMN Cc1[nH]ncc1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001622440980 1171424831 /nfs/dbraw/zinc/42/48/31/1171424831.db2.gz QYJLYLJSLNCFLF-UHFFFAOYSA-N 0 1 311.323 0.842 20 5 DCBDMN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCO[C@@H](c2nn[nH]n2)C1 ZINC001632776759 1171626004 /nfs/dbraw/zinc/62/60/04/1171626004.db2.gz YAPGMJYNTMNXLK-SECBINFHSA-N 0 1 322.256 0.461 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](c3nncn3C)C2)c1[N+](=O)[O-] ZINC001637065847 1171756939 /nfs/dbraw/zinc/75/69/39/1171756939.db2.gz AYUKDIDBVVJCNY-MRVPVSSYSA-N 0 1 305.298 0.385 20 5 DCBDMN CC(C)(CCNC(=O)c1n[nH]cc1[N+](=O)[O-])S(C)(=O)=O ZINC001638185013 1171791947 /nfs/dbraw/zinc/79/19/47/1171791947.db2.gz CKIVTWMMGWDDHF-UHFFFAOYSA-N 0 1 304.328 0.261 20 5 DCBDMN O=C(Cc1ncn[nH]1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001638638767 1171802412 /nfs/dbraw/zinc/80/24/12/1171802412.db2.gz YOKFCJMWLQSLNO-UHFFFAOYSA-N 0 1 303.278 0.545 20 5 DCBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](C(=O)NC)C2)c1[N+](=O)[O-] ZINC001639523968 1171841784 /nfs/dbraw/zinc/84/17/84/1171841784.db2.gz MUMQBSPWUOGOBE-MRVPVSSYSA-N 0 1 309.326 0.479 20 5 DCBDMN CC(C)n1ccc(CN2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001642855927 1171958434 /nfs/dbraw/zinc/95/84/34/1171958434.db2.gz GOJHJRLAEQFVHO-ZIAGYGMSSA-N 0 1 321.381 0.773 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](O)[C@H](F)C2)c1[N+](=O)[O-] ZINC001647777794 1173054682 /nfs/dbraw/zinc/05/46/82/1173054682.db2.gz LJWHLVCGJKIBBI-SFYZADRCSA-N 0 1 300.290 0.986 20 5 DCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001653197480 1173783062 /nfs/dbraw/zinc/78/30/62/1173783062.db2.gz CRZBMDWSHIEEJO-GFCCVEGCSA-N 0 1 322.369 0.636 20 5 DCBDMN Cn1cc([C@@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC001660592101 1174017272 /nfs/dbraw/zinc/01/72/72/1174017272.db2.gz QAQJNPLHQBJGPG-LLVKDONJSA-N 0 1 305.342 0.799 20 5 DCBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cnoc1C1CC1 ZINC001686589254 1176168149 /nfs/dbraw/zinc/16/81/49/1176168149.db2.gz MSNUNAUJLNEGIX-PSASIEDQSA-N 0 1 308.294 0.063 20 5 DCBDMN CC(C)(C)C(=O)C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001689272938 1176784844 /nfs/dbraw/zinc/78/48/44/1176784844.db2.gz NBSSOOLLYJOFNL-NUNSBDKSSA-N 0 1 311.338 0.055 20 5 DCBDMN CCn1nc(C)c(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001699259042 1177999153 /nfs/dbraw/zinc/99/91/53/1177999153.db2.gz ZNSSXYXJLWYIKW-WPCUQIPDSA-N 0 1 322.369 0.034 20 5 DCBDMN COc1ccc(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001704203344 1179929578 /nfs/dbraw/zinc/92/95/78/1179929578.db2.gz QGAMZZUEBPVVJB-RKDXNWHRSA-N 0 1 311.294 0.142 20 5 DCBDMN Cc1cc(CN(C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001717207129 1182731394 /nfs/dbraw/zinc/73/13/94/1182731394.db2.gz XWKGOTDPOPLZQZ-CHWSQXEVSA-N 0 1 310.354 0.929 20 5 DCBDMN CC/C=C/CCN1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC001717219106 1182736731 /nfs/dbraw/zinc/73/67/31/1182736731.db2.gz HIYMJVSTCQMBLT-LSMGEYOZSA-N 0 1 323.393 0.921 20 5 DCBDMN COCCCC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001719409836 1183471218 /nfs/dbraw/zinc/47/12/18/1183471218.db2.gz LEJZRAYYYMVSIZ-WRWGMCAJSA-N 0 1 313.354 0.089 20 5 DCBDMN CN(CCNC(=O)c1ccc(F)cn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001721073480 1183817166 /nfs/dbraw/zinc/81/71/66/1183817166.db2.gz PVRVFCLFIBDYHI-MWLCHTKSSA-N 0 1 310.285 0.074 20 5 DCBDMN CCc1[nH]ccc1C(=O)NCCN(CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001721144956 1183847467 /nfs/dbraw/zinc/84/74/67/1183847467.db2.gz MLJVXGFHGFPMDI-DGCLKSJQSA-N 0 1 322.365 0.821 20 5 DCBDMN Cc1ccc(CC(=O)NC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001721835939 1184069832 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O=C(NCCN(C(=O)c1ccsn1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001737880853 1187421527 /nfs/dbraw/zinc/42/15/27/1187421527.db2.gz KLFPYEDDGGSGAT-MWLCHTKSSA-N 0 1 324.362 0.529 20 5 DCBDMN Cc1ocnc1C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001738462210 1187557475 /nfs/dbraw/zinc/55/74/75/1187557475.db2.gz JCBLNZPNMFDOSS-HLKOZVMDSA-N 0 1 308.294 0.050 20 5 DCBDMN CN(CCCNC(=O)/C=C\c1ccco1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001743330478 1188116591 /nfs/dbraw/zinc/11/65/91/1188116591.db2.gz QFRNPJZXOBFZHW-NTQVKLLNSA-N 0 1 321.333 0.923 20 5 DCBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccccc1 ZINC001743457015 1188135773 /nfs/dbraw/zinc/13/57/73/1188135773.db2.gz YKKRLNIHWXWSKP-CHWSQXEVSA-N 0 1 305.334 0.930 20 5 DCBDMN CC(C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001744565677 1188219735 /nfs/dbraw/zinc/21/97/35/1188219735.db2.gz UHPVEYXSPPLDTN-DIACKHNESA-N 0 1 309.366 0.661 20 5 DCBDMN Cc1conc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001754980574 1188986708 /nfs/dbraw/zinc/98/67/08/1188986708.db2.gz ISQJSDCITCIAMX-ZYHUDNBSSA-N 0 1 308.338 0.777 20 5 DCBDMN CCCc1n[nH]cc1C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001758171796 1189768809 /nfs/dbraw/zinc/76/88/09/1189768809.db2.gz MDJIHDKVFXTPIZ-BXKDBHETSA-N 0 1 323.353 0.264 20 5 DCBDMN CCN(CCNC(=O)c1ccncc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001758993826 1190060331 /nfs/dbraw/zinc/06/03/31/1190060331.db2.gz IROCTDQNHYGGAM-ZYHUDNBSSA-N 0 1 324.312 0.464 20 5 DCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1=COCCC1 ZINC001759880160 1190326401 /nfs/dbraw/zinc/32/64/01/1190326401.db2.gz SOOREGBZGBVXEY-GHMZBOCLSA-N 0 1 309.322 0.111 20 5 DCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2ccc(F)cn2)C1 ZINC001042705645 751851797 /nfs/dbraw/zinc/85/17/97/751851797.db2.gz WCWNPCSXGUBFEW-CHWSQXEVSA-N 0 1 308.313 0.529 20 5 DCBDMN O=C(N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1)c1ncn[nH]1 ZINC001059692212 749473222 /nfs/dbraw/zinc/47/32/22/749473222.db2.gz GKHHLEPKYSMKCD-OCAPTIKFSA-N 0 1 303.282 0.481 20 5 DCBDMN O=C(N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1)c1nc[nH]n1 ZINC001059692212 749473227 /nfs/dbraw/zinc/47/32/27/749473227.db2.gz GKHHLEPKYSMKCD-OCAPTIKFSA-N 0 1 303.282 0.481 20 5 DCBDMN CC(C)(C)c1cnc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001126943147 750155761 /nfs/dbraw/zinc/15/57/61/750155761.db2.gz MWYMMAIUTYGMHD-NXEZZACHSA-N 0 1 310.354 0.843 20 5 DCBDMN CCN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)Cc1ncn[nH]1 ZINC001106838212 751305708 /nfs/dbraw/zinc/30/57/08/751305708.db2.gz CBJOQSDGCCCNLP-UHFFFAOYSA-N 0 1 319.325 0.611 20 5 DCBDMN Cc1cc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)no1 ZINC001062481240 754761073 /nfs/dbraw/zinc/76/10/73/754761073.db2.gz LVKBHRFROHQHLW-MWLCHTKSSA-N 0 1 322.321 0.417 20 5 DCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1ccncc1 ZINC001062989450 755071459 /nfs/dbraw/zinc/07/14/59/755071459.db2.gz DUPDEPJGXZHQJG-VXGBXAGGSA-N 0 1 318.333 0.516 20 5 DCBDMN CCN(C(=O)CCC1CC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079520851 755897259 /nfs/dbraw/zinc/89/72/59/755897259.db2.gz YHXRRESEUJPSPT-CHWSQXEVSA-N 0 1 309.366 0.901 20 5 DCBDMN Cc1nc(N2CCN(C(=O)c3ccn[nH]3)CC2)ccc1[N+](=O)[O-] ZINC001055721509 756885720 /nfs/dbraw/zinc/88/57/20/756885720.db2.gz CFFWLACKFNXEDR-UHFFFAOYSA-N 0 1 316.321 0.984 20 5 DCBDMN Cc1cc([N+](=O)[O-])cnc1NCCN(C)C(=O)Cc1ncn[nH]1 ZINC001101771823 764312702 /nfs/dbraw/zinc/31/27/02/764312702.db2.gz FKMBVHQMHHVIKC-UHFFFAOYSA-N 0 1 319.325 0.529 20 5 DCBDMN Cc1nn[nH]c1C(=O)N(C)CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001101885921 764399029 /nfs/dbraw/zinc/39/90/29/764399029.db2.gz WSEBJTFHQUFCQY-UHFFFAOYSA-N 0 1 319.325 0.909 20 5 DCBDMN CN(C)C(=O)CC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001134939048 765737663 /nfs/dbraw/zinc/73/76/63/765737663.db2.gz NTHHIQJUOZRHHL-UHFFFAOYSA-N 0 1 314.367 0.340 20 5 DCBDMN O=C(NCc1nn[nH]n1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001143974241 766760067 /nfs/dbraw/zinc/76/00/67/766760067.db2.gz GGXPDLOWPXVDFL-UHFFFAOYSA-N 0 1 302.294 0.846 20 5 DCBDMN O=C(CCc1nc[nH]n1)NCCNc1ncc([N+](=O)[O-])cc1F ZINC001093566307 768625089 /nfs/dbraw/zinc/62/50/89/768625089.db2.gz JUJSSVCQGCQHQN-UHFFFAOYSA-N 0 1 323.288 0.408 20 5 DCBDMN O=C(NCCCNc1cc[nH]c(=O)c1[N+](=O)[O-])c1cnn[nH]1 ZINC001094881336 769443868 /nfs/dbraw/zinc/44/38/68/769443868.db2.gz GMZKXJBUCHCHNS-UHFFFAOYSA-N 0 1 307.270 0.046 20 5 DCBDMN COc1c(C(=O)N[C@H](CO)Cc2cnc[nH]2)cccc1[N+](=O)[O-] ZINC001152490313 769578118 /nfs/dbraw/zinc/57/81/18/769578118.db2.gz PXRMEVWPDPMOHW-JTQLQIEISA-N 0 1 320.305 0.660 20 5 DCBDMN O=C(NCC1(Nc2ncc([N+](=O)[O-])cc2F)CC1)c1ncn[nH]1 ZINC001110199493 770328832 /nfs/dbraw/zinc/32/88/32/770328832.db2.gz AHFLFLRRXIKRHL-UHFFFAOYSA-N 0 1 321.272 0.622 20 5 DCBDMN O=C(NCC1(Nc2ncc([N+](=O)[O-])cc2F)CC1)c1nc[nH]n1 ZINC001110199493 770328840 /nfs/dbraw/zinc/32/88/40/770328840.db2.gz AHFLFLRRXIKRHL-UHFFFAOYSA-N 0 1 321.272 0.622 20 5 DCBDMN COc1ncnc(NCc2nnc3n2CCCNC3)c1[N+](=O)[O-] ZINC001155430960 770499929 /nfs/dbraw/zinc/49/99/29/770499929.db2.gz VAIFVFYDYRJTGF-UHFFFAOYSA-N 0 1 320.313 0.090 20 5 DCBDMN CCOC(=O)C1=C(Nc2cc([N+](=O)[O-])cc[n+]2[O-])[C@H](C)OC1 ZINC001157380426 771599064 /nfs/dbraw/zinc/59/90/64/771599064.db2.gz GKUFPSANTLVUFG-QMMMGPOBSA-N 0 1 309.278 0.876 20 5 DCBDMN COC(=O)c1ccnc(NC(=N)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC001157915203 771691935 /nfs/dbraw/zinc/69/19/35/771691935.db2.gz LAXLFTMBTNBCSB-UHFFFAOYSA-N 0 1 322.325 0.370 20 5 DCBDMN CCOC(=O)c1c(CN)ncn1-c1cnc(F)c([N+](=O)[O-])c1 ZINC001162537618 772388266 /nfs/dbraw/zinc/38/82/66/772388266.db2.gz WQAPQJXFYSNXBQ-UHFFFAOYSA-N 0 1 309.257 0.950 20 5 DCBDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cccnc1 ZINC001066652624 774957867 /nfs/dbraw/zinc/95/78/67/774957867.db2.gz YECGCEJXHWYNNX-CHWSQXEVSA-N 0 1 320.349 0.667 20 5 DCBDMN Cc1conc1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067389205 777785881 /nfs/dbraw/zinc/78/58/81/777785881.db2.gz TWKFKSDUKRZJKC-GHMZBOCLSA-N 0 1 324.337 0.569 20 5 DCBDMN Cc1nnc(CN(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001482595840 941559038 /nfs/dbraw/zinc/55/90/38/941559038.db2.gz XOFSEZXYBPVTFE-NXEZZACHSA-N 0 1 313.383 0.402 20 5 DCBDMN CCC/C=C/CCN1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001484272944 943286864 /nfs/dbraw/zinc/28/68/64/943286864.db2.gz OAOWYBRBKJDGFC-IJWDBEHRSA-N 0 1 311.382 0.561 20 5 DCBDMN CCOCC(=O)N[C@H]1C[C@@H](NCc2c([N+](=O)[O-])ncn2C)C1 ZINC001490991702 943698586 /nfs/dbraw/zinc/69/85/86/943698586.db2.gz XBOGQCDBBFDLLW-AOOOYVTPSA-N 0 1 311.342 0.102 20 5 DCBDMN O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ocnc1C1CC1 ZINC001491284475 943893635 /nfs/dbraw/zinc/89/36/35/943893635.db2.gz WPHLHRGLZGCHHL-RKDXNWHRSA-N 0 1 308.294 0.063 20 5 DCBDMN O=C(NCCN1CCN(C/C=C\Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001316962707 944690351 /nfs/dbraw/zinc/69/03/51/944690351.db2.gz FQJNDVRBZRRHNA-JZIZGNRHSA-N 0 1 316.789 0.138 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nn(CC)nc1C ZINC001317479436 944989818 /nfs/dbraw/zinc/98/98/18/944989818.db2.gz FYCKKWUTMGTCQX-DGCLKSJQSA-N 0 1 324.385 0.210 20 5 DCBDMN CC(C)c1n[nH]c(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)n1 ZINC001319591315 945626803 /nfs/dbraw/zinc/62/68/03/945626803.db2.gz IGMYILDAPIYJQU-UHFFFAOYSA-N 0 1 306.282 0.637 20 5 DCBDMN CC(C)c1nc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC001319591315 945626807 /nfs/dbraw/zinc/62/68/07/945626807.db2.gz IGMYILDAPIYJQU-UHFFFAOYSA-N 0 1 306.282 0.637 20 5 DCBDMN Cc1nn(C)c(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)c1[N+](=O)[O-] ZINC001320060978 945731902 /nfs/dbraw/zinc/73/19/02/945731902.db2.gz XUAWBHFWVCELLR-MRVPVSSYSA-N 0 1 320.313 0.170 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCc3n[nH]c(=O)cc3C2)c1[N+](=O)[O-] ZINC001320396697 945857947 /nfs/dbraw/zinc/85/79/47/945857947.db2.gz CQUFXGNHDOJQMI-UHFFFAOYSA-N 0 1 304.266 0.320 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCC(C(=O)NC)CC2)c1[N+](=O)[O-] ZINC001255896725 946558538 /nfs/dbraw/zinc/55/85/38/946558538.db2.gz MSVPTHCEPBXMCJ-UHFFFAOYSA-N 0 1 309.326 0.479 20 5 DCBDMN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCCN1CC=CC1 ZINC001322300843 946643747 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O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000600529827 396883720 /nfs/dbraw/zinc/88/37/20/396883720.db2.gz DHYKZEWPJVLIBN-SNVBAGLBSA-N 0 1 319.321 0.268 20 5 DCBDMN O=C(NCC[N@H+]1CC[C@@H](O)C1)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000600529827 396883726 /nfs/dbraw/zinc/88/37/26/396883726.db2.gz DHYKZEWPJVLIBN-SNVBAGLBSA-N 0 1 319.321 0.268 20 5 DCBDMN O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000600529827 396883732 /nfs/dbraw/zinc/88/37/32/396883732.db2.gz DHYKZEWPJVLIBN-SNVBAGLBSA-N 0 1 319.321 0.268 20 5 DCBDMN COc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[C@@H](O)C2)c1 ZINC000600533182 396885494 /nfs/dbraw/zinc/88/54/94/396885494.db2.gz KMCAQPPGOOFSEF-SNVBAGLBSA-N 0 1 309.322 0.400 20 5 DCBDMN COc1ccc(C(=O)NCCN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600544851 396887221 /nfs/dbraw/zinc/88/72/21/396887221.db2.gz GFNFVRFEHILPPS-LLVKDONJSA-N 0 1 309.322 0.400 20 5 DCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000364413929 397197742 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CO[C@H]1CS(=O)(=O)C[C@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000602706652 397467936 /nfs/dbraw/zinc/46/79/36/397467936.db2.gz GUZZHMBDANTLIG-OLZOCXBDSA-N 0 1 314.363 0.539 20 5 DCBDMN CN1CCN(Cc2cn(Cc3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000603160335 397576483 /nfs/dbraw/zinc/57/64/83/397576483.db2.gz GXWSGTXVFOWUDT-UHFFFAOYSA-N 0 1 316.365 0.982 20 5 DCBDMN C[C@@H]1[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000356876022 159254858 /nfs/dbraw/zinc/25/48/58/159254858.db2.gz LOJMMQLLGSOTLQ-MNOVXSKESA-N 0 1 308.338 0.308 20 5 DCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCS(=O)(=O)CC1 ZINC000408157498 160050052 /nfs/dbraw/zinc/05/00/52/160050052.db2.gz CYOMXEPPVZXQPE-UHFFFAOYSA-N 0 1 314.319 0.561 20 5 DCBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)S(=O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000408351575 160090309 /nfs/dbraw/zinc/09/03/09/160090309.db2.gz GKYOZQMLDVPKOU-YUMQZZPRSA-N 0 1 314.367 0.862 20 5 DCBDMN CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C2(CCCCC2)C1 ZINC000408358450 160091323 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C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N)c1nn[nH]n1 ZINC000276181816 415443399 /nfs/dbraw/zinc/44/33/99/415443399.db2.gz GWQWUCNQYHYOKI-SSDOTTSWSA-N 0 1 305.298 0.566 20 5 DCBDMN Cc1nc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n[nH]1 ZINC000343571570 415643371 /nfs/dbraw/zinc/64/33/71/415643371.db2.gz JDVISDZKIXLBFN-UHFFFAOYSA-N 0 1 303.326 0.739 20 5 DCBDMN O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000126519410 415877144 /nfs/dbraw/zinc/87/71/44/415877144.db2.gz ODDVVSJOWOPDRE-ZCFIWIBFSA-N 0 1 307.232 0.684 20 5 DCBDMN O=C(Nc1nn[nH]c1C(=O)NC1CC1)c1ccc([N+](=O)[O-])s1 ZINC000297642879 415965055 /nfs/dbraw/zinc/96/50/55/415965055.db2.gz DHQGTIGUWQKBQM-UHFFFAOYSA-N 0 1 322.306 0.919 20 5 DCBDMN C[C@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000582184037 416447347 /nfs/dbraw/zinc/44/73/47/416447347.db2.gz JWQGYGGLFLCQFP-VIFPVBQESA-N 0 1 310.310 0.191 20 5 DCBDMN C[C@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000582184037 416447355 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Cc1n[nH]c(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000609285905 416653760 /nfs/dbraw/zinc/65/37/60/416653760.db2.gz RVZBVCOKPMIWMY-WDEREUQCSA-N 0 1 323.353 0.298 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](n3ccnn3)C2)c1[N+](=O)[O-] ZINC000424998289 416675920 /nfs/dbraw/zinc/67/59/20/416675920.db2.gz DNEANAOSRIAISM-SECBINFHSA-N 0 1 319.325 0.949 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)c1[N+](=O)[O-] ZINC000369766287 416826172 /nfs/dbraw/zinc/82/61/72/416826172.db2.gz KZKGJNFOWTXAFG-ZETCQYMHSA-N 0 1 309.282 0.157 20 5 DCBDMN COc1cccc(C(=O)N2CCc3[nH]nnc3C2)c1[N+](=O)[O-] ZINC000444299864 416828430 /nfs/dbraw/zinc/82/84/30/416828430.db2.gz XCMSWDHBMDQBHF-UHFFFAOYSA-N 0 1 303.278 0.920 20 5 DCBDMN CCC[C@@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1nn[nH]n1 ZINC000427634109 416832117 /nfs/dbraw/zinc/83/21/17/416832117.db2.gz POBCCKSZQBEEKH-SSDOTTSWSA-N 0 1 308.302 0.596 20 5 DCBDMN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN[C@H](C)C1 ZINC000429334278 416963556 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O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000363832973 262133110 /nfs/dbraw/zinc/13/31/10/262133110.db2.gz PIZMHOCWCUBQIW-RYUDHWBXSA-N 0 1 321.333 0.893 20 5 DCBDMN CCC[C@@H]1CNCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000417921496 262265403 /nfs/dbraw/zinc/26/54/03/262265403.db2.gz ZZSMIIRFFVDRSV-LLVKDONJSA-N 0 1 310.358 0.575 20 5 DCBDMN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1cnc[nH]1 ZINC000488615162 272046810 /nfs/dbraw/zinc/04/68/10/272046810.db2.gz ZOUBJOMLAYRWIA-SNVBAGLBSA-N 0 1 321.341 0.867 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N2CCS(=O)CC2)c1[N+](=O)[O-] ZINC000408393789 276040830 /nfs/dbraw/zinc/04/08/30/276040830.db2.gz NBOQKBJGRBJOEH-UHFFFAOYSA-N 0 1 300.340 0.646 20 5 DCBDMN CNC(=O)c1ccc(N2C[C@H]3OCCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000153154282 277259491 /nfs/dbraw/zinc/25/94/91/277259491.db2.gz FMFXIHFFJDCXIH-UONOGXRCSA-N 0 1 320.349 0.474 20 5 DCBDMN CCOCC[NH+]1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000584616982 337372990 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Nc1nc(N2CCN(C3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000267023663 527556320 /nfs/dbraw/zinc/55/63/20/527556320.db2.gz JJKFVWATUOMYOE-UHFFFAOYSA-N 0 1 308.342 0.268 20 5 DCBDMN O=C(NCc1cnc[nH]1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000359702041 546200152 /nfs/dbraw/zinc/20/01/52/546200152.db2.gz XCXNSJXXENIZBG-UHFFFAOYSA-N 0 1 313.277 0.829 20 5 DCBDMN O=[N+]([O-])c1ccc2nc(-n3cnc(-c4nn[nH]n4)n3)sc2c1 ZINC000738367378 598537655 /nfs/dbraw/zinc/53/76/55/598537655.db2.gz SLEJVPZEFLZDBM-UHFFFAOYSA-N 0 1 315.278 0.965 20 5 DCBDMN C[NH+](C)[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1CC1 ZINC000821581834 606708147 /nfs/dbraw/zinc/70/81/47/606708147.db2.gz VWWYJYWNQHEKKA-JTQLQIEISA-N 0 1 318.341 0.922 20 5 DCBDMN C[NH+](C)[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C1CC1 ZINC000821581834 606708149 /nfs/dbraw/zinc/70/81/49/606708149.db2.gz VWWYJYWNQHEKKA-JTQLQIEISA-N 0 1 318.341 0.922 20 5 DCBDMN C[NH+](C)C(C)(C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821579947 607162783 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ANXDNLKGFSRFJT-FPQZTECRSA-N 0 1 321.333 0.878 20 5 DCBDMN Cc1conc1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979758104 660813415 /nfs/dbraw/zinc/81/34/15/660813415.db2.gz UOJKHMJUGCKVMZ-GWOFURMSSA-N 0 1 322.321 0.273 20 5 DCBDMN COc1cc(CN2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC000981138422 661085568 /nfs/dbraw/zinc/08/55/68/661085568.db2.gz RFBNLBGIWOFYLS-VXGBXAGGSA-N 0 1 324.337 0.383 20 5 DCBDMN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000158646987 658537052 /nfs/dbraw/zinc/53/70/52/658537052.db2.gz NAKFWKGXXSENEO-YPMHNXCESA-N 0 1 314.363 0.795 20 5 DCBDMN CN1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000888985069 658896703 /nfs/dbraw/zinc/89/67/03/658896703.db2.gz JXZKKUNIMJZQNP-UHFFFAOYSA-N 0 1 322.365 0.620 20 5 DCBDMN CN1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000888985069 658896708 /nfs/dbraw/zinc/89/67/08/658896708.db2.gz JXZKKUNIMJZQNP-UHFFFAOYSA-N 0 1 322.365 0.620 20 5 DCBDMN 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0 1 313.697 0.539 20 5 DCBDMN CCCc1nc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)co1 ZINC000991299959 663976946 /nfs/dbraw/zinc/97/69/46/663976946.db2.gz ZXRDZNIQUHEUAZ-MWLCHTKSSA-N 0 1 322.321 0.233 20 5 DCBDMN O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCNCC1 ZINC000911647043 664098003 /nfs/dbraw/zinc/09/80/03/664098003.db2.gz MTRNBLPTVFRGHJ-CYBMUJFWSA-N 0 1 304.306 0.520 20 5 DCBDMN O=C(NC1CN(Cc2ccncc2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292444 664504531 /nfs/dbraw/zinc/50/45/31/664504531.db2.gz JMAQXFIOWFQZBT-ZYHUDNBSSA-N 0 1 310.741 0.701 20 5 DCBDMN CN1CCN(C)[C@H](CNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000732049794 664898821 /nfs/dbraw/zinc/89/88/21/664898821.db2.gz ABKQDLHABHFOFY-LLVKDONJSA-N 0 1 304.354 0.900 20 5 DCBDMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NN=c1nccc[nH]1 ZINC000918399964 665166348 /nfs/dbraw/zinc/16/63/48/665166348.db2.gz VVIBTQIZQACUPD-UHFFFAOYSA-N 0 1 313.270 0.829 20 5 DCBDMN Cc1nc(C)c(C(=O)NCC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001001303965 666032676 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YDAUTYJAWOLCKY-SECBINFHSA-N 0 1 320.284 0.806 20 5 DCBDMN CN(C)c1ccnc(CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)c1 ZINC001644817081 1172022661 /nfs/dbraw/zinc/02/26/61/1172022661.db2.gz XMYRDNOSYOMDRG-UHFFFAOYSA-N 0 1 316.321 0.963 20 5 DCBDMN CCCc1[nH]nc(C(=O)N(CC)CCC(=O)NC)c1[N+](=O)[O-] ZINC001646070917 1172241728 /nfs/dbraw/zinc/24/17/28/1172241728.db2.gz QVJLKOSMAKXUHV-UHFFFAOYSA-N 0 1 311.342 0.869 20 5 DCBDMN C[C@@H](O)CN(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001646398624 1172364488 /nfs/dbraw/zinc/36/44/88/1172364488.db2.gz IWVHHARKRMPKTN-SNVBAGLBSA-N 0 1 317.367 0.186 20 5 DCBDMN Nc1cn[nH]c1[C@@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC001648723870 1173079899 /nfs/dbraw/zinc/07/98/99/1173079899.db2.gz PVRZXMOZEJDHMZ-MRVPVSSYSA-N 0 1 305.298 0.113 20 5 DCBDMN COc1cccnc1CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001664467701 1174433955 /nfs/dbraw/zinc/43/39/55/1174433955.db2.gz CRPYTFUNCRZDHQ-UHFFFAOYSA-N 0 1 324.318 0.872 20 5 DCBDMN Cc1sccc1CC(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001686588858 1176167824 /nfs/dbraw/zinc/16/78/24/1176167824.db2.gz ADBMGWUAPPRKTF-GHMZBOCLSA-N 0 1 311.363 0.497 20 5 DCBDMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CSC ZINC001687711596 1176283441 /nfs/dbraw/zinc/28/34/41/1176283441.db2.gz STGWAZBNCARMMA-NXEZZACHSA-N 0 1 303.384 0.369 20 5 DCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cncc(F)c1 ZINC001688325606 1176453533 /nfs/dbraw/zinc/45/35/33/1176453533.db2.gz ISGJFSORHHWWIK-GHMZBOCLSA-N 0 1 310.285 0.074 20 5 DCBDMN Cc1csc(C(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001704200612 1179926885 /nfs/dbraw/zinc/92/68/85/1179926885.db2.gz MJUZZCZDLLVMPG-NXEZZACHSA-N 0 1 311.363 0.910 20 5 DCBDMN Cc1cc(C(=O)N(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)n[nH]1 ZINC001704399397 1179999055 /nfs/dbraw/zinc/99/90/55/1179999055.db2.gz KAGWMGGXROZCAA-ZYHUDNBSSA-N 0 1 321.337 0.104 20 5 DCBDMN Cc1cc(C(=O)N(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)[nH]n1 ZINC001704399397 1179999064 /nfs/dbraw/zinc/99/90/64/1179999064.db2.gz KAGWMGGXROZCAA-ZYHUDNBSSA-N 0 1 321.337 0.104 20 5 DCBDMN CC(C)(C)/C=C\C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001720874797 1183747698 /nfs/dbraw/zinc/74/76/98/1183747698.db2.gz RIZUOMHZYZJUOA-REZVZJQKSA-N 0 1 321.377 0.827 20 5 DCBDMN CN(CCNC(=O)CC1CCOCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001721069361 1183814586 /nfs/dbraw/zinc/81/45/86/1183814586.db2.gz ZILAVIRSNKYACW-VXGBXAGGSA-N 0 1 313.354 0.043 20 5 DCBDMN CN(CC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cnco1 ZINC001725935411 1185049793 /nfs/dbraw/zinc/04/97/93/1185049793.db2.gz APCVAJACLCTZNG-NXEZZACHSA-N 0 1 324.337 0.554 20 5 DCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nnc(C2CC2)o1 ZINC001731770423 1185476070 /nfs/dbraw/zinc/47/60/70/1185476070.db2.gz VWLJCKILHCSRLR-NXEZZACHSA-N 0 1 309.326 0.160 20 5 DCBDMN CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1ccco1 ZINC001731887257 1185548528 /nfs/dbraw/zinc/54/85/28/1185548528.db2.gz MXSMVJLZUXPPLG-UHFFFAOYSA-N 0 1 307.310 0.783 20 5 DCBDMN CN(CC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cocn1 ZINC001734726466 1186731303 /nfs/dbraw/zinc/73/13/03/1186731303.db2.gz MTNMXGWPDCEGJV-MWLCHTKSSA-N 0 1 324.337 0.554 20 5 DCBDMN Cc1c(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])ccn1C(C)C ZINC001736741735 1187080257 /nfs/dbraw/zinc/08/02/57/1187080257.db2.gz WZCAJFASDMOUPY-CHWSQXEVSA-N 0 1 322.365 0.889 20 5 DCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCc1ccoc1 ZINC001737725977 1187393767 /nfs/dbraw/zinc/39/37/67/1187393767.db2.gz IZULCKJYHKCTHJ-VXGBXAGGSA-N 0 1 309.322 0.452 20 5 DCBDMN CC(C)N(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cnco1 ZINC001739082401 1187741300 /nfs/dbraw/zinc/74/13/00/1187741300.db2.gz QFOJMPCAMYAQPT-GHMZBOCLSA-N 0 1 324.337 0.649 20 5 DCBDMN CC(C)N(CCN(C)C(=O)c1ccon1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001739081944 1187741554 /nfs/dbraw/zinc/74/15/54/1187741554.db2.gz RSAYQZZDHIDLGK-ZYHUDNBSSA-N 0 1 324.337 0.649 20 5 DCBDMN Cc1cscc1C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001742801708 1188056239 /nfs/dbraw/zinc/05/62/39/1188056239.db2.gz HMMBKHHCIQZXCD-MWLCHTKSSA-N 0 1 311.363 0.958 20 5 DCBDMN Cc1ccoc1CC(=O)N(C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001743456973 1188135423 /nfs/dbraw/zinc/13/54/23/1188135423.db2.gz XIJMEYNDNYVODL-VXGBXAGGSA-N 0 1 323.349 0.760 20 5 DCBDMN CCN(CCCNC(=O)c1oncc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001743946328 1188173059 /nfs/dbraw/zinc/17/30/59/1188173059.db2.gz XCPRTVOEKZYUSF-GHMZBOCLSA-N 0 1 324.337 0.617 20 5 DCBDMN Cc1cc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)[nH]1 ZINC001747787681 1188302457 /nfs/dbraw/zinc/30/24/57/1188302457.db2.gz NNPQDGVCAROEJT-VXGBXAGGSA-N 0 1 320.349 0.675 20 5 DCBDMN CC(C)c1noc(CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001753049083 1188484581 /nfs/dbraw/zinc/48/45/81/1188484581.db2.gz QLCJIZIPLPHPED-NXEZZACHSA-N 0 1 311.342 0.406 20 5 DCBDMN Cc1cc(CN(C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])nn1C ZINC001755036638 1189003959 /nfs/dbraw/zinc/00/39/59/1189003959.db2.gz ITCZJVSLEAPLFX-ZIAGYGMSSA-N 0 1 323.397 0.674 20 5 DCBDMN CCN(CCCNC(=O)Cc1ccoc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001758489516 1189906006 /nfs/dbraw/zinc/90/60/06/1189906006.db2.gz IEMQAQVZELENFD-CHWSQXEVSA-N 0 1 323.349 0.842 20 5 DCBDMN O=C(/C=C/c1ccc[nH]1)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001758699838 1189965000 /nfs/dbraw/zinc/96/50/00/1189965000.db2.gz WMPPRKOCCYCBFS-YPQLIASRSA-N 0 1 318.333 0.457 20 5 DCBDMN Cc1noc(C)c1C(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001758928995 1190040027 /nfs/dbraw/zinc/04/00/27/1190040027.db2.gz FYCLBSYCVSRWHU-NXEZZACHSA-N 0 1 310.310 0.145 20 5 DCBDMN CCN(CCNC(=O)C1(C2CC2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001759007152 1190064955 /nfs/dbraw/zinc/06/49/55/1190064955.db2.gz AXMDWSNNUXKUJB-VXGBXAGGSA-N 0 1 309.366 0.807 20 5 DCBDMN CCN(CCNC(=O)c1cc(F)c[nH]1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001759014663 1190067372 /nfs/dbraw/zinc/06/73/72/1190067372.db2.gz MWRNPVQHFYDUMI-MWLCHTKSSA-N 0 1 312.301 0.397 20 5 DCBDMN CN(C(=O)CCC(F)(F)F)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001759952574 1190344297 /nfs/dbraw/zinc/34/42/97/1190344297.db2.gz JYRXVIPQQKOOHS-RKDXNWHRSA-N 0 1 323.271 0.663 20 5 DCBDMN Cc1ccnc(CN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001042705672 751852093 /nfs/dbraw/zinc/85/20/93/751852093.db2.gz XIKOULSUVKTBMJ-VXGBXAGGSA-N 0 1 305.338 0.093 20 5 DCBDMN CCc1nc(C)c(CN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001042711087 751856981 /nfs/dbraw/zinc/85/69/81/751856981.db2.gz PCNPSUWZNPOTGO-VXGBXAGGSA-N 0 1 322.365 0.853 20 5 DCBDMN Cc1cc([N+](=O)[O-])cnc1NCC=CCNC(=O)c1ncn[nH]1 ZINC001107287444 751989154 /nfs/dbraw/zinc/98/91/54/751989154.db2.gz XAKTXUXECYDXSM-NSCUHMNNSA-N 0 1 317.309 0.814 20 5 DCBDMN Cc1cc([N+](=O)[O-])cnc1NCC=CCNC(=O)c1nc[nH]n1 ZINC001107287444 751989158 /nfs/dbraw/zinc/98/91/58/751989158.db2.gz XAKTXUXECYDXSM-NSCUHMNNSA-N 0 1 317.309 0.814 20 5 DCBDMN Cn1cc(Nc2cc(O)nc(=O)n2C2CC2)cc([N+](=O)[O-])c1=O ZINC001167761716 748133100 /nfs/dbraw/zinc/13/31/00/748133100.db2.gz VOMJOOZDIUYTCX-UHFFFAOYSA-N 0 1 319.277 0.634 20 5 DCBDMN O=C(N[C@H]1C[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1)c1ncn[nH]1 ZINC001059692458 749473683 /nfs/dbraw/zinc/47/36/83/749473683.db2.gz SESICNSMRRTTBP-KNVOCYPGSA-N 0 1 319.281 0.186 20 5 DCBDMN O=C(N[C@H]1C[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1)c1nc[nH]n1 ZINC001059692458 749473684 /nfs/dbraw/zinc/47/36/84/749473684.db2.gz SESICNSMRRTTBP-KNVOCYPGSA-N 0 1 319.281 0.186 20 5 DCBDMN O=C(NCCNCc1nc(C2CCCC2)no1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936619 750149518 /nfs/dbraw/zinc/14/95/18/750149518.db2.gz MYWBWODXTRMFNN-GHMZBOCLSA-N 0 1 323.353 0.598 20 5 DCBDMN O=C(N[C@@H]1[C@H]2CN(c3ccccc3[N+](=O)[O-])C[C@H]21)c1ncn[nH]1 ZINC001060426690 750948940 /nfs/dbraw/zinc/94/89/40/750948940.db2.gz FTLOWITXRDFLAR-GDGBQDQQSA-N 0 1 314.305 0.578 20 5 DCBDMN O=C(N[C@@H]1[C@H]2CN(c3ccccc3[N+](=O)[O-])C[C@H]21)c1nc[nH]n1 ZINC001060426690 750948944 /nfs/dbraw/zinc/94/89/44/750948944.db2.gz FTLOWITXRDFLAR-GDGBQDQQSA-N 0 1 314.305 0.578 20 5 DCBDMN Cn1cccc1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062549316 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COc1cc(CNC[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])cc1O ZINC001461195481 1013013436 /nfs/dbraw/zinc/01/34/36/1013013436.db2.gz LYBJVDLWINDHOP-LBPRGKRZSA-N 0 1 324.381 0.644 20 5 DCBDMN CN(C(=O)/C=C/c1ccco1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001506253722 1017140655 /nfs/dbraw/zinc/14/06/55/1017140655.db2.gz GTWVCUCLVIAUIK-IJWDBEHRSA-N 0 1 319.317 0.627 20 5 DCBDMN CN(CCNC(=O)c1ncn[nH]1)c1ncc([N+](=O)[O-])cc1F ZINC001478260829 1017332579 /nfs/dbraw/zinc/33/25/79/1017332579.db2.gz BBGBBTVBNWJXJX-UHFFFAOYSA-N 0 1 309.261 0.113 20 5 DCBDMN CN(CCNC(=O)c1nc[nH]n1)c1ncc([N+](=O)[O-])cc1F ZINC001478260829 1017332596 /nfs/dbraw/zinc/33/25/96/1017332596.db2.gz BBGBBTVBNWJXJX-UHFFFAOYSA-N 0 1 309.261 0.113 20 5 DCBDMN Cc1ncsc1C(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001495874510 1018796761 /nfs/dbraw/zinc/79/67/61/1018796761.db2.gz YRSOPTHJJVNRDU-RKDXNWHRSA-N 0 1 312.351 0.305 20 5 DCBDMN CCOCC1(C(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001496188494 1019146310 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COC[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)OC ZINC000272994180 210373531 /nfs/dbraw/zinc/37/35/31/210373531.db2.gz QLXDTSXVISYSSR-VIFPVBQESA-N 0 1 308.294 0.862 20 5 DCBDMN CC(=O)N1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000028027154 395695617 /nfs/dbraw/zinc/69/56/17/395695617.db2.gz CHUHYRHSTUQUDZ-UHFFFAOYSA-N 0 1 317.305 0.775 20 5 DCBDMN Nc1nc(NCCn2cc([N+](=O)[O-])cn2)cc(-n2cccn2)n1 ZINC000092923312 395735065 /nfs/dbraw/zinc/73/50/65/395735065.db2.gz BNESNWGAUMMCOM-UHFFFAOYSA-N 0 1 315.297 0.461 20 5 DCBDMN O=C(NC[C@]1(O)CCc2ccccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000271036057 395832730 /nfs/dbraw/zinc/83/27/30/395832730.db2.gz QCGAUXOXHLFOOJ-CQSZACIVSA-N 0 1 302.290 0.882 20 5 DCBDMN CCNC(=O)CN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000054223588 395895564 /nfs/dbraw/zinc/89/55/64/395895564.db2.gz SARXAGJVEUHTFK-UHFFFAOYSA-N 0 1 308.338 0.991 20 5 DCBDMN CNC(=O)CCCN(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000154754965 396042092 /nfs/dbraw/zinc/04/20/92/396042092.db2.gz RRGWASXQSSWFMZ-UHFFFAOYSA-N 0 1 308.338 0.652 20 5 DCBDMN Cc1c(NC(=O)CCNC2(C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000152388875 396008202 /nfs/dbraw/zinc/00/82/02/396008202.db2.gz YVAAGKFCIYRBGV-UHFFFAOYSA-N 0 1 306.322 0.839 20 5 DCBDMN COc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCN(C)CC1 ZINC000277648381 396079233 /nfs/dbraw/zinc/07/92/33/396079233.db2.gz UVWCGGFUVQJIPT-UHFFFAOYSA-N 0 1 322.365 0.581 20 5 DCBDMN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N1CCN(C)CC1 ZINC000178199846 396190989 /nfs/dbraw/zinc/19/09/89/396190989.db2.gz LNRCRPQVPCEKED-NSHDSACASA-N 0 1 321.381 0.543 20 5 DCBDMN C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nncn1C ZINC000280844648 396225456 /nfs/dbraw/zinc/22/54/56/396225456.db2.gz QQYKOBZTBARYJX-MRVPVSSYSA-N 0 1 305.294 0.962 20 5 DCBDMN Cc1n[nH]c(C(=O)N2CCC[C@H]2CN2CCOCC2)c1[N+](=O)[O-] ZINC000080919343 396289211 /nfs/dbraw/zinc/28/92/11/396289211.db2.gz FLJGGSQWKOMKKG-NSHDSACASA-N 0 1 323.353 0.563 20 5 DCBDMN CC(C)(CC(N)=O)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000186274529 396347009 /nfs/dbraw/zinc/34/70/09/396347009.db2.gz HAHVPVPJSKGUKX-UHFFFAOYSA-N 0 1 305.294 0.855 20 5 DCBDMN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CC(=O)NC1=O ZINC000269382635 396411121 /nfs/dbraw/zinc/41/11/21/396411121.db2.gz JYWMRFLTMMRIGC-ZETCQYMHSA-N 0 1 323.309 0.319 20 5 DCBDMN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000191015802 396413965 /nfs/dbraw/zinc/41/39/65/396413965.db2.gz ZZBDAWUBGNACCU-UHFFFAOYSA-N 0 1 323.349 0.667 20 5 DCBDMN COC[C@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CCO1 ZINC000269539318 396422573 /nfs/dbraw/zinc/42/25/73/396422573.db2.gz UUPMNOASNRZWMM-SECBINFHSA-N 0 1 312.326 0.929 20 5 DCBDMN Cc1noc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000595304793 396582997 /nfs/dbraw/zinc/58/29/97/396582997.db2.gz CNGRXNSKVBMPGZ-NEPJUHHUSA-N 0 1 310.354 0.922 20 5 DCBDMN O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373110612 396567181 /nfs/dbraw/zinc/56/71/81/396567181.db2.gz IWWKJUDCJJJXFA-GHMZBOCLSA-N 0 1 322.321 0.288 20 5 DCBDMN O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373110612 396567183 /nfs/dbraw/zinc/56/71/83/396567183.db2.gz IWWKJUDCJJJXFA-GHMZBOCLSA-N 0 1 322.321 0.288 20 5 DCBDMN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C2CC2)O1 ZINC000373430559 396590583 /nfs/dbraw/zinc/59/05/83/396590583.db2.gz HHTVNTPLAFSZFA-SWHYSGLUSA-N 0 1 310.354 0.652 20 5 DCBDMN C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1nccn1C ZINC000595382341 396598728 /nfs/dbraw/zinc/59/87/28/396598728.db2.gz FVLULNFXZRGGDO-QMMMGPOBSA-N 0 1 311.323 0.763 20 5 DCBDMN CCOCC[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000562425446 396663032 /nfs/dbraw/zinc/66/30/32/396663032.db2.gz ZKYAAIBWGBZFTK-AWEZNQCLSA-N 0 1 324.381 0.899 20 5 DCBDMN O=C(N[C@@H](CO)CN1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000588869998 396696820 /nfs/dbraw/zinc/69/68/20/396696820.db2.gz RZYHSWKCOIMJKQ-SNVBAGLBSA-N 0 1 311.313 0.920 20 5 DCBDMN CCOC[C@@H]1CN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])CCO1 ZINC000600411922 396827862 /nfs/dbraw/zinc/82/78/62/396827862.db2.gz POPNTZLXGXIWID-VIFPVBQESA-N 0 1 312.326 0.758 20 5 DCBDMN CC[C@@H]1CN(C)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000590930746 396856959 /nfs/dbraw/zinc/85/69/59/396856959.db2.gz BDWHJAAPNQONKH-LLVKDONJSA-N 0 1 310.358 0.527 20 5 DCBDMN O=C(NCCN1CC[C@H](O)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000600698423 396920950 /nfs/dbraw/zinc/92/09/50/396920950.db2.gz DXAGASFLUFURHO-JTQLQIEISA-N 0 1 312.301 0.922 20 5 DCBDMN C[C@@H](C(=O)NCCN1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000600808815 396947841 /nfs/dbraw/zinc/94/78/41/396947841.db2.gz RVPPECYJEDCHNA-RISCZKNCSA-N 0 1 307.350 0.881 20 5 DCBDMN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC(c2nc[nH]n2)CC1 ZINC000618382513 396974189 /nfs/dbraw/zinc/97/41/89/396974189.db2.gz ZIJJIYKNDXSQJC-UHFFFAOYSA-N 0 1 318.293 0.833 20 5 DCBDMN COc1ccccc1[C@H](N)CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000591680788 396977188 /nfs/dbraw/zinc/97/71/88/396977188.db2.gz HUNCIFXEWMAKJE-SNVBAGLBSA-N 0 1 320.309 0.011 20 5 DCBDMN CC[C@H]1CN(C)CCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000619578167 397153276 /nfs/dbraw/zinc/15/32/76/397153276.db2.gz BBKMMXKZVDSWRO-LBPRGKRZSA-N 0 1 322.365 0.699 20 5 DCBDMN COC(=O)[C@@H]1C[C@@H](O)CN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000592193626 397120449 /nfs/dbraw/zinc/12/04/49/397120449.db2.gz CNCRQRLWFHRYQD-ZYHUDNBSSA-N 0 1 310.306 0.656 20 5 DCBDMN CC(C)c1[nH]nc(C(=O)N(C)C[C@@H]2COCCO2)c1[N+](=O)[O-] ZINC000598184938 397186267 /nfs/dbraw/zinc/18/62/67/397186267.db2.gz WELNIRCHXKFVKO-SECBINFHSA-N 0 1 312.326 0.929 20 5 DCBDMN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC[C@@H]1CC[NH2+]C1 ZINC000573801385 397208548 /nfs/dbraw/zinc/20/85/48/397208548.db2.gz PVAASYSCSNVICV-VIFPVBQESA-N 0 1 300.340 0.268 20 5 DCBDMN COC(=O)[C@H]1CNCCCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000592549891 397209376 /nfs/dbraw/zinc/20/93/76/397209376.db2.gz PNACQNRIVSSCFP-CYBMUJFWSA-N 0 1 321.333 0.880 20 5 DCBDMN CC(C)(CO)[NH+]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000592972658 397308802 /nfs/dbraw/zinc/30/88/02/397308802.db2.gz DQDOENPMKMPJBJ-UHFFFAOYSA-N 0 1 324.337 0.581 20 5 DCBDMN COC(=O)c1ccnc(N(C)Cc2n[nH]c(=O)o2)c1[N+](=O)[O-] ZINC000598630338 397264459 /nfs/dbraw/zinc/26/44/59/397264459.db2.gz ICGMOUAFVGEVBB-UHFFFAOYSA-N 0 1 309.238 0.501 20 5 DCBDMN COC(=O)c1ccc([N+](=O)[O-])c(NCCN2CC[C@@H](O)C2)n1 ZINC000599176008 397354980 /nfs/dbraw/zinc/35/49/80/397354980.db2.gz NQVNLJCJZWBFMO-SECBINFHSA-N 0 1 310.310 0.255 20 5 DCBDMN C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000599271595 397385615 /nfs/dbraw/zinc/38/56/15/397385615.db2.gz HSKNJEJTGLAIJK-PSASIEDQSA-N 0 1 318.355 0.564 20 5 DCBDMN C[C@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N(C)C ZINC000602157352 397326383 /nfs/dbraw/zinc/32/63/83/397326383.db2.gz HNVNMFPCAMIHRO-LLVKDONJSA-N 0 1 307.354 0.589 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599936778 397544610 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DCBDMN [NH3+]CC(F)(F)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000162629989 158361090 /nfs/dbraw/zinc/36/10/90/158361090.db2.gz ZGDXJGLFJOFHCK-UHFFFAOYSA-N 0 1 313.257 0.606 20 5 DCBDMN CN(C)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000170873477 158377496 /nfs/dbraw/zinc/37/74/96/158377496.db2.gz RTDDGHIMGBNQLY-QMMMGPOBSA-N 0 1 305.381 0.981 20 5 DCBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H](O)C1CC1 ZINC000269309017 158905190 /nfs/dbraw/zinc/90/51/90/158905190.db2.gz HRYYDXBSLGWEMZ-SNVBAGLBSA-N 0 1 304.299 0.783 20 5 DCBDMN COC(=O)c1cc(C(=O)NCCc2nc[nH]n2)cc([N+](=O)[O-])c1 ZINC000359746362 159264823 /nfs/dbraw/zinc/26/48/23/159264823.db2.gz ACZSWSZKBRXGTR-UHFFFAOYSA-N 0 1 319.277 0.472 20 5 DCBDMN COC(=O)[C@H](O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000135342704 287021516 /nfs/dbraw/zinc/02/15/16/287021516.db2.gz NLYJOMWUTNYHJK-GFCCVEGCSA-N 0 1 312.326 0.037 20 5 DCBDMN COC(=O)[C@@H](O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000135342955 287021617 /nfs/dbraw/zinc/02/16/17/287021617.db2.gz BIUMIQBWLSIGCD-LBPRGKRZSA-N 0 1 312.326 0.037 20 5 DCBDMN C[C@H](CO)N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H](C)O ZINC000248934239 287103937 /nfs/dbraw/zinc/10/39/37/287103937.db2.gz MYWQEMXQBCABKV-ZJUUUORDSA-N 0 1 311.338 0.257 20 5 DCBDMN CCc1nc([C@@H](C)NC(=O)c2c([N+](=O)[O-])c(C)nn2C)n[nH]1 ZINC000342994644 415400095 /nfs/dbraw/zinc/40/00/95/415400095.db2.gz AELCLAQEQIGJNC-SSDOTTSWSA-N 0 1 307.314 0.808 20 5 DCBDMN O=C1NC(=O)N2CCN(Cc3cc(O)ccc3[N+](=O)[O-])C[C@H]12 ZINC000332623911 415420095 /nfs/dbraw/zinc/42/00/95/415420095.db2.gz NDZPMMCMCFVJKY-LLVKDONJSA-N 0 1 306.278 0.036 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000353221104 415480091 /nfs/dbraw/zinc/48/00/91/415480091.db2.gz WVRZMKJFLOXWRJ-DTWKUNHWSA-N 0 1 317.371 0.217 20 5 DCBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)Cc1nnc[nH]1 ZINC000080527804 415480095 /nfs/dbraw/zinc/48/00/95/415480095.db2.gz JRHWMRRKTPWTBA-UHFFFAOYSA-N 0 1 311.323 0.842 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCOCC(F)(F)C2)c1[N+](=O)[O-] ZINC000290558054 415820494 /nfs/dbraw/zinc/82/04/94/415820494.db2.gz FOHPEMKRYXDUQU-UHFFFAOYSA-N 0 1 304.253 0.988 20 5 DCBDMN O=C(CNC(=O)c1n[nH]cc1[N+](=O)[O-])Nc1ccc(F)cc1 ZINC000126793756 415878123 /nfs/dbraw/zinc/87/81/23/415878123.db2.gz XOGDGANVJKVPTJ-UHFFFAOYSA-N 0 1 307.241 0.826 20 5 DCBDMN O=C(NC1CCS(=O)(=O)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356330491 415899201 /nfs/dbraw/zinc/89/92/01/415899201.db2.gz UOKLYIUCXGOPOR-UHFFFAOYSA-N 0 1 314.319 0.607 20 5 DCBDMN O=C(NCCNc1cnccn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356406716 415915419 /nfs/dbraw/zinc/91/54/19/415915419.db2.gz NQQHCRBLOFJSFQ-UHFFFAOYSA-N 0 1 303.278 0.932 20 5 DCBDMN CO[C@H]1C[C@@H](c2nnc[nH]2)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000344738766 415980947 /nfs/dbraw/zinc/98/09/47/415980947.db2.gz OPSVGBCVDDNTBA-IUCAKERBSA-N 0 1 307.314 0.408 20 5 DCBDMN Cn1cc([C@@H](CO)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC000356781722 415985472 /nfs/dbraw/zinc/98/54/72/415985472.db2.gz OFAUJLNOYJPGNC-GFCCVEGCSA-N 0 1 306.278 0.497 20 5 DCBDMN C[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1nnc[nH]1 ZINC000176735378 416133262 /nfs/dbraw/zinc/13/32/62/416133262.db2.gz RCOANSMCNCPLNI-QMMMGPOBSA-N 0 1 318.293 0.320 20 5 DCBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C1 ZINC000352198711 416304360 /nfs/dbraw/zinc/30/43/60/416304360.db2.gz PEUQYNRFKQQDKA-SWHYSGLUSA-N 0 1 323.349 0.717 20 5 DCBDMN Cc1ccc(S(=O)(=O)NCCc2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000434104114 416461052 /nfs/dbraw/zinc/46/10/52/416461052.db2.gz MUBWHPFWCKEDQC-UHFFFAOYSA-N 0 1 311.323 0.542 20 5 DCBDMN C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1nnc[nH]1 ZINC000540890871 416596755 /nfs/dbraw/zinc/59/67/55/416596755.db2.gz OKJXBURWVIQLLF-ZCFIWIBFSA-N 0 1 305.250 0.933 20 5 DCBDMN Nc1ccc(NCc2n[nH]c([C@H]3CCCO3)n2)nc1[N+](=O)[O-] ZINC000596296800 416581419 /nfs/dbraw/zinc/58/14/19/416581419.db2.gz CCZSPJIKOZIUQS-MRVPVSSYSA-N 0 1 305.298 1.154 20 5 DCBDMN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1Cc2ccccc2CN1 ZINC000423915935 416590011 /nfs/dbraw/zinc/59/00/11/416590011.db2.gz YPDNZUXMXFXDQL-CQSZACIVSA-N 0 1 315.333 0.622 20 5 DCBDMN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000425318497 416694013 /nfs/dbraw/zinc/69/40/13/416694013.db2.gz IJCQMKGLGMNRSG-UHFFFAOYSA-N 0 1 308.254 0.426 20 5 DCBDMN CN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1(C)C ZINC000559258016 416804466 /nfs/dbraw/zinc/80/44/66/416804466.db2.gz NLHLCEMXSGMJLL-UHFFFAOYSA-N 0 1 308.338 0.309 20 5 DCBDMN O=C(NCCN1CCC1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446904718 416954219 /nfs/dbraw/zinc/95/42/19/416954219.db2.gz BXIWGMMEDMIRKL-UHFFFAOYSA-N 0 1 318.337 0.976 20 5 DCBDMN CN(C(=O)CN[C@H](CO)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000447904262 417038665 /nfs/dbraw/zinc/03/86/65/417038665.db2.gz PKBUCXAZTSAVNH-KGLIPLIRSA-N 0 1 323.349 0.687 20 5 DCBDMN CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000282482089 276138800 /nfs/dbraw/zinc/13/88/00/276138800.db2.gz VLGPPHXJFCBPJY-GXTWGEPZSA-N 0 1 323.349 0.545 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCN(C(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000552146634 288266457 /nfs/dbraw/zinc/26/64/57/288266457.db2.gz RLEMARDEOJDQIT-UHFFFAOYSA-N 0 1 310.314 0.066 20 5 DCBDMN [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C[C@@H]21 ZINC000570569935 332775382 /nfs/dbraw/zinc/77/53/82/332775382.db2.gz MBVXDUWDHAZTNO-JFUSQASVSA-N 0 1 306.322 0.895 20 5 DCBDMN C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[NH2+]1 ZINC000575922999 341814844 /nfs/dbraw/zinc/81/48/44/341814844.db2.gz SDGVQNBNDPZGOZ-BDAKNGLRSA-N 0 1 300.340 0.409 20 5 DCBDMN CCO[C@H]1C[C@](CO)(NC(=O)c2n[nH]cc2[N+](=O)[O-])C1(C)C ZINC000188820078 520584894 /nfs/dbraw/zinc/58/48/94/520584894.db2.gz HKEDCLINEHDYLV-TVQRCGJNSA-N 0 1 312.326 0.614 20 5 DCBDMN COc1cc(OCC(=O)N(C)Cc2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000266475353 522889197 /nfs/dbraw/zinc/88/91/97/522889197.db2.gz OXTXORWEVSSMGP-UHFFFAOYSA-N 0 1 321.293 0.759 20 5 DCBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CNC(=O)CN ZINC000237256296 523184272 /nfs/dbraw/zinc/18/42/72/523184272.db2.gz NSJSCNRIGAOWPB-UHFFFAOYSA-N 0 1 314.729 0.282 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)c1[N+](=O)[O-] ZINC000188203396 523665505 /nfs/dbraw/zinc/66/55/05/523665505.db2.gz XMWJIHNMFAYQNB-SNVBAGLBSA-N 0 1 321.337 0.764 20 5 DCBDMN O=C(CCn1cc([N+](=O)[O-])cn1)NCCN1CCCOCC1 ZINC000189470446 526670823 /nfs/dbraw/zinc/67/08/23/526670823.db2.gz SGVHQTONUAVDQP-UHFFFAOYSA-N 0 1 311.342 0.020 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCO[C@H](c3ncon3)C2)c1[N+](=O)[O-] ZINC000444366527 536000237 /nfs/dbraw/zinc/00/02/37/536000237.db2.gz FMWFFHZHXQYHCL-QMMMGPOBSA-N 0 1 322.281 0.477 20 5 DCBDMN O=C([O-])CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000034936390 597080443 /nfs/dbraw/zinc/08/04/43/597080443.db2.gz HUJNFFFUMAHEGS-UHFFFAOYSA-N 0 1 307.306 0.827 20 5 DCBDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000833628846 605189164 /nfs/dbraw/zinc/18/91/64/605189164.db2.gz OXTIGLJUCPCVQQ-LLVKDONJSA-N 0 1 311.342 0.272 20 5 DCBDMN O=C([O-])N1CC[C@@H]([NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000834086656 605585177 /nfs/dbraw/zinc/58/51/77/605585177.db2.gz WHUBBELKOYELJW-GFCCVEGCSA-N 0 1 321.337 0.864 20 5 DCBDMN C[N@@H+]1CCC[C@@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821625437 606702853 /nfs/dbraw/zinc/70/28/53/606702853.db2.gz NSJJIIJKSAQRAJ-MRVPVSSYSA-N 0 1 304.314 0.676 20 5 DCBDMN C[N@H+]1CCC[C@@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821625437 606702855 /nfs/dbraw/zinc/70/28/55/606702855.db2.gz NSJJIIJKSAQRAJ-MRVPVSSYSA-N 0 1 304.314 0.676 20 5 DCBDMN C[N@@H+]1CCC[C@@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821625437 606702857 /nfs/dbraw/zinc/70/28/57/606702857.db2.gz NSJJIIJKSAQRAJ-MRVPVSSYSA-N 0 1 304.314 0.676 20 5 DCBDMN C[N@H+]1CCC[C@@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821625437 606702859 /nfs/dbraw/zinc/70/28/59/606702859.db2.gz NSJJIIJKSAQRAJ-MRVPVSSYSA-N 0 1 304.314 0.676 20 5 DCBDMN C[NH+]1CCC(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821622119 606706867 /nfs/dbraw/zinc/70/68/67/606706867.db2.gz SKKHZAKDIXGJGP-UHFFFAOYSA-N 0 1 318.341 0.924 20 5 DCBDMN C[NH+]1CCC(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821622119 606706868 /nfs/dbraw/zinc/70/68/68/606706868.db2.gz SKKHZAKDIXGJGP-UHFFFAOYSA-N 0 1 318.341 0.924 20 5 DCBDMN C[NH+](C)[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821583335 606707030 /nfs/dbraw/zinc/70/70/30/606707030.db2.gz RLJZMLSURDZSNO-MRVPVSSYSA-N 0 1 304.314 0.310 20 5 DCBDMN C[NH+](C)[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821583335 606707031 /nfs/dbraw/zinc/70/70/31/606707031.db2.gz RLJZMLSURDZSNO-MRVPVSSYSA-N 0 1 304.314 0.310 20 5 DCBDMN C[N@@H+]1CCC[C@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821623997 606709725 /nfs/dbraw/zinc/70/97/25/606709725.db2.gz XDYJFXNMGWIZIT-SECBINFHSA-N 0 1 318.341 0.924 20 5 DCBDMN C[N@H+]1CCC[C@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821623997 606709726 /nfs/dbraw/zinc/70/97/26/606709726.db2.gz XDYJFXNMGWIZIT-SECBINFHSA-N 0 1 318.341 0.924 20 5 DCBDMN C[N@@H+]1CCC[C@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821623997 606709727 /nfs/dbraw/zinc/70/97/27/606709727.db2.gz XDYJFXNMGWIZIT-SECBINFHSA-N 0 1 318.341 0.924 20 5 DCBDMN C[N@H+]1CCC[C@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821623997 606709728 /nfs/dbraw/zinc/70/97/28/606709728.db2.gz XDYJFXNMGWIZIT-SECBINFHSA-N 0 1 318.341 0.924 20 5 DCBDMN COc1cc(F)c([N+](=O)[O-])c(-n2cnc(-c3nn[nH]n3)n2)c1 ZINC000826180110 608172025 /nfs/dbraw/zinc/17/20/25/608172025.db2.gz SJGMKZZEIYYLIF-UHFFFAOYSA-N 0 1 306.217 0.503 20 5 DCBDMN Cc1ccoc1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000978594030 660565912 /nfs/dbraw/zinc/56/59/12/660565912.db2.gz NGLDZZBQKNCPIV-WRWGMCAJSA-N 0 1 321.333 0.878 20 5 DCBDMN Cc1cc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)on1 ZINC000978796616 660608225 /nfs/dbraw/zinc/60/82/25/660608225.db2.gz UEDGBDSPVUJYIJ-LMLFDSFASA-N 0 1 322.321 0.273 20 5 DCBDMN O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cc(F)c[nH]1 ZINC000979744179 660810973 /nfs/dbraw/zinc/81/09/73/660810973.db2.gz AWVDXHYQGHLIGL-UGKPPGOTSA-N 0 1 324.312 0.444 20 5 DCBDMN Cc1cocc1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979746453 660811659 /nfs/dbraw/zinc/81/16/59/660811659.db2.gz GNDDJABTJCJJJM-PRULPYPASA-N 0 1 321.333 0.878 20 5 DCBDMN Cc1nocc1CN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000981136832 661084810 /nfs/dbraw/zinc/08/48/10/661084810.db2.gz IDAYCSWZOBDBFP-CHWSQXEVSA-N 0 1 308.338 0.683 20 5 DCBDMN Cc1ncoc1CN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000981138464 661085258 /nfs/dbraw/zinc/08/52/58/661085258.db2.gz UDUHSEGTWZJHHN-VXGBXAGGSA-N 0 1 308.338 0.683 20 5 DCBDMN Cc1nc(CN2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)o1 ZINC000981138193 661085270 /nfs/dbraw/zinc/08/52/70/661085270.db2.gz PIJOESNEHGCEKG-TZMCWYRMSA-N 0 1 322.365 0.991 20 5 DCBDMN 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20 5 DCBDMN CN1CCN(C)[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000264639797 396298694 /nfs/dbraw/zinc/29/86/94/396298694.db2.gz FCYLWWPKLHXJRK-CYBMUJFWSA-N 0 1 322.365 0.336 20 5 DCBDMN CCC[C@H]1C(=O)NCCN1C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000192836688 396439129 /nfs/dbraw/zinc/43/91/29/396439129.db2.gz VTFXVEAKZMILMY-VIFPVBQESA-N 0 1 309.326 0.621 20 5 DCBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000291250660 396481631 /nfs/dbraw/zinc/48/16/31/396481631.db2.gz MQMLUMRFXNFDCL-BQBZGAKWSA-N 0 1 316.339 0.274 20 5 DCBDMN CCOC(=O)c1c[nH]c(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])n1 ZINC000585681708 396648563 /nfs/dbraw/zinc/64/85/63/396648563.db2.gz DJVXAILCLYCVNY-UHFFFAOYSA-N 0 1 308.254 0.778 20 5 DCBDMN Cc1nc(CN2CCN(Cc3onc(C)c3[N+](=O)[O-])CC2)n[nH]1 ZINC000595394235 396600988 /nfs/dbraw/zinc/60/09/88/396600988.db2.gz BUINVHNWCWGQFK-UHFFFAOYSA-N 0 1 321.341 0.636 20 5 DCBDMN CCc1[nH]nc(C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000374549109 396671783 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ZINC001122417813 767798812 /nfs/dbraw/zinc/79/88/12/767798812.db2.gz JMVFSOOTACTDGA-LBPRGKRZSA-N 0 1 322.365 0.844 20 5 DCBDMN Cc1cc(CC(=O)NCCNc2ncccc2[N+](=O)[O-])[nH]n1 ZINC001093551428 768622563 /nfs/dbraw/zinc/62/25/63/768622563.db2.gz FIVZFQNLMNSIAG-UHFFFAOYSA-N 0 1 304.310 0.792 20 5 DCBDMN Cc1ccnc(NCCCNC(=O)c2cnn[nH]2)c1[N+](=O)[O-] ZINC001094881369 769445102 /nfs/dbraw/zinc/44/51/02/769445102.db2.gz HPXCSQSWFLUIHL-UHFFFAOYSA-N 0 1 305.298 0.648 20 5 DCBDMN COC(=O)c1n[nH]c(C(=O)OC)c1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001234189041 769578057 /nfs/dbraw/zinc/57/80/57/769578057.db2.gz IFWZMJQYWFXMGC-SSDOTTSWSA-N 0 1 313.266 0.417 20 5 DCBDMN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCSC[C@H]1c1nn[nH]n1 ZINC001154776458 770293547 /nfs/dbraw/zinc/29/35/47/770293547.db2.gz KQFSRDGRZXWZBY-QMMMGPOBSA-N 0 1 309.311 0.366 20 5 DCBDMN C[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1=NN(C)CC1=O ZINC001179927113 771034497 /nfs/dbraw/zinc/03/44/97/771034497.db2.gz VRRIVOVZYOSSGV-QMMMGPOBSA-N 0 1 321.293 0.073 20 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ZINC001163125590 772468185 /nfs/dbraw/zinc/46/81/85/772468185.db2.gz AKTMGFABNCQUND-UHFFFAOYSA-N 0 1 306.282 0.639 20 5 DCBDMN Cc1cn[nH]c1CN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O ZINC001166327999 772802244 /nfs/dbraw/zinc/80/22/44/772802244.db2.gz LRIPKLBZUNGRCA-UHFFFAOYSA-N 0 1 322.302 0.971 20 5 DCBDMN Cc1nc(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001221797546 775199870 /nfs/dbraw/zinc/19/98/70/775199870.db2.gz VMFLYQMRLCAOCP-UHFFFAOYSA-N 0 1 320.309 0.900 20 5 DCBDMN Cc1cc(C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001066761127 775327215 /nfs/dbraw/zinc/32/72/15/775327215.db2.gz GJDUPRGNQMCNMI-ZYHUDNBSSA-N 0 1 324.337 0.569 20 5 DCBDMN CN(CCCNC(=O)c1cnn[nH]1)c1ccccc1[N+](=O)[O-] ZINC001095778464 775665147 /nfs/dbraw/zinc/66/51/47/775665147.db2.gz BGIJVOQUVLVVHV-UHFFFAOYSA-N 0 1 304.310 0.969 20 5 DCBDMN O=c1nc2cc[nH]c2c(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)[nH]1 ZINC001227808574 776008700 /nfs/dbraw/zinc/00/87/00/776008700.db2.gz JRBDIGKQMLMMEM-LURJTMIESA-N 0 1 318.249 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KWGJBZHXAFLIFS-ZDUSSCGKSA-N 0 1 308.338 0.725 20 5 DCBDMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nc(C)no1 ZINC001266043432 950293807 /nfs/dbraw/zinc/29/38/07/950293807.db2.gz YHLSVMBMXYEDFI-GHMZBOCLSA-N 0 1 311.342 0.371 20 5 DCBDMN COC[C@@]1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CNCCO1 ZINC001330592840 950532076 /nfs/dbraw/zinc/53/20/76/950532076.db2.gz HRUFHKHMHYYBNK-OAHLLOKOSA-N 0 1 321.333 0.442 20 5 DCBDMN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC(c2nc[nH]n2)CC1 ZINC001331715945 951266323 /nfs/dbraw/zinc/26/63/23/951266323.db2.gz QWSZHWUVRUGTQY-UHFFFAOYSA-N 0 1 319.325 0.706 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCC(NC(=O)C3CC3)CC2)c1[N+](=O)[O-] ZINC001343108703 953323342 /nfs/dbraw/zinc/32/33/42/953323342.db2.gz BOSWWFXRJZZRLA-UHFFFAOYSA-N 0 1 321.337 0.757 20 5 DCBDMN Cc1nc([C@@H](C)NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n[nH]1 ZINC001346132063 953806745 /nfs/dbraw/zinc/80/67/45/953806745.db2.gz YJFSIBWRIFRUFS-SSDOTTSWSA-N 0 1 306.282 0.060 20 5 DCBDMN CC(C)c1cc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1C 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SRGBCCLTHURNIF-MRVWCRGKSA-N 0 1 305.334 0.803 20 5 DCBDMN C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CN(C)CCN1C ZINC001293743923 957422836 /nfs/dbraw/zinc/42/28/36/957422836.db2.gz FPFKVPCNAPNOHO-IINYFYTJSA-N 0 1 321.381 0.541 20 5 DCBDMN Cc1cc(C(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])ccc1F ZINC001296215129 957924982 /nfs/dbraw/zinc/92/49/82/957924982.db2.gz VCQQGXPYEGRYTQ-DGCLKSJQSA-N 0 1 323.324 0.988 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1c[nH]cc1C ZINC001296300497 957951732 /nfs/dbraw/zinc/95/17/32/957951732.db2.gz HGOWYJDJSYAZHC-ZYHUDNBSSA-N 0 1 308.338 0.567 20 5 DCBDMN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(c2nn[nH]n2)CC1 ZINC001302753651 960030843 /nfs/dbraw/zinc/03/08/43/960030843.db2.gz SUQWVGSEEZQCMB-UHFFFAOYSA-N 0 1 303.282 0.523 20 5 DCBDMN Cc1nn(C)c(C(=O)NCc2n[nH]c(C(C)(C)C)n2)c1[N+](=O)[O-] ZINC001306854216 960134755 /nfs/dbraw/zinc/13/47/55/960134755.db2.gz AWIPZGLNBVSHNB-UHFFFAOYSA-N 0 1 321.341 0.982 20 5 DCBDMN O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](c3nn[nH]n3)C2)c1 ZINC001308035979 960165210 /nfs/dbraw/zinc/16/52/10/960165210.db2.gz TVRILTQQGJROAD-JTQLQIEISA-N 0 1 304.310 0.976 20 5 DCBDMN O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](c3nnn[n-]3)C2)c1 ZINC001308035979 960165219 /nfs/dbraw/zinc/16/52/19/960165219.db2.gz TVRILTQQGJROAD-JTQLQIEISA-N 0 1 304.310 0.976 20 5 DCBDMN O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](c3nnn[n-]3)C2)c1 ZINC001308035979 960165222 /nfs/dbraw/zinc/16/52/22/960165222.db2.gz TVRILTQQGJROAD-JTQLQIEISA-N 0 1 304.310 0.976 20 5 DCBDMN CC(C)[C@H](O)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001309196614 960193439 /nfs/dbraw/zinc/19/34/39/960193439.db2.gz GMHFNEMEROKSLY-SNVBAGLBSA-N 0 1 303.340 0.675 20 5 DCBDMN Cn1c(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)n[nH]c1=O ZINC001312427400 960274416 /nfs/dbraw/zinc/27/44/16/960274416.db2.gz SFYATLFXPROELK-UHFFFAOYSA-N 0 1 320.309 0.471 20 5 DCBDMN COC[C@@]1(C(=O)[O-])C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001604559029 973613934 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DCBDMN C[N@@H+](CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)CC(=O)[O-] ZINC001598492209 992311758 /nfs/dbraw/zinc/31/17/58/992311758.db2.gz GMKZEPKUWGINMU-UHFFFAOYSA-N 0 1 320.305 0.822 20 5 DCBDMN CO[C@@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC001599122968 997776556 /nfs/dbraw/zinc/77/65/56/997776556.db2.gz FCEZYQLXAAPTMV-MNOVXSKESA-N 0 1 312.326 0.664 20 5 DCBDMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1CC=CC1 ZINC001492945938 998562467 /nfs/dbraw/zinc/56/24/67/998562467.db2.gz OXJYPPGPGGPALO-CHWSQXEVSA-N 0 1 309.366 0.973 20 5 DCBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(C)(C)C(N)=O ZINC001468399192 1016251846 /nfs/dbraw/zinc/25/18/46/1016251846.db2.gz PCOFPOFDSQBJPT-UHFFFAOYSA-N 0 1 305.294 0.807 20 5 DCBDMN CN(CCN1CC2(C1)CCOCC2)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001471316602 1016554222 /nfs/dbraw/zinc/55/42/22/1016554222.db2.gz GUSKSCSTAWFXQI-UHFFFAOYSA-N 0 1 323.353 0.502 20 5 DCBDMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccon1 ZINC001492946504 1003217945 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DCBDMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CSC ZINC001497256261 1017998243 /nfs/dbraw/zinc/99/82/43/1017998243.db2.gz FMNXFNFBNRZIQY-NXEZZACHSA-N 0 1 303.384 0.369 20 5 DCBDMN CC(C)(F)C(=O)NCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001497358659 1018074665 /nfs/dbraw/zinc/07/46/65/1018074665.db2.gz ODJFTICGYPPYOK-NXEZZACHSA-N 0 1 301.318 0.507 20 5 DCBDMN CN(CCNC(=O)Cc1ccc(F)cn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001496189257 1019149223 /nfs/dbraw/zinc/14/92/23/1019149223.db2.gz PVCJCLJNYQLGPQ-VXGBXAGGSA-N 0 1 324.312 0.003 20 5 DCBDMN O=C(CC(F)(F)F)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001501723031 1019416094 /nfs/dbraw/zinc/41/60/94/1019416094.db2.gz OSIVXEWSOANBJE-XLNBVVSQSA-N 0 1 309.244 0.393 20 5 DCBDMN O=C(NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cncc(F)c1 ZINC001501774827 1019462920 /nfs/dbraw/zinc/46/29/20/1019462920.db2.gz KTVYNZMZPRPKFQ-NUYITTKVSA-N 0 1 322.296 0.288 20 5 DCBDMN O=C(CCn1cccc1)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001501852985 1019520205 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DCBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339760777 282773360 /nfs/dbraw/zinc/77/33/60/282773360.db2.gz YGAVGRSCHHEJCR-GXTWGEPZSA-N 0 1 310.354 0.738 20 5 DCBDMN O=C(NCc1ccccc1[N+](=O)[O-])c1[nH]nc2c1CNCC2 ZINC000188318340 200226435 /nfs/dbraw/zinc/22/64/35/200226435.db2.gz JNGROQCIDNAXFF-UHFFFAOYSA-N 0 1 301.306 0.894 20 5 DCBDMN CCc1[nH]nc(C(=O)N(C)CCNC(=O)C(C)C)c1[N+](=O)[O-] ZINC000092264288 193182683 /nfs/dbraw/zinc/18/26/83/193182683.db2.gz SSUCNYFDWIHVRG-UHFFFAOYSA-N 0 1 311.342 0.725 20 5 DCBDMN Cc1c(C(=O)NC[C@@H]2CN(C)CCN2C)cccc1[N+](=O)[O-] ZINC000264762340 204138121 /nfs/dbraw/zinc/13/81/21/204138121.db2.gz UKLRENOWKDNYAQ-GFCCVEGCSA-N 0 1 306.366 0.879 20 5 DCBDMN CCCc1[nH]nc(C(=O)N(CC)CCOCCO)c1[N+](=O)[O-] ZINC000282538755 217073067 /nfs/dbraw/zinc/07/30/67/217073067.db2.gz PUFVVIFHDVZLDY-UHFFFAOYSA-N 0 1 314.342 0.741 20 5 DCBDMN CCn1cc(S(=O)(=O)NCCN(C)C2CC2)c([N+](=O)[O-])n1 ZINC000339049904 253026677 /nfs/dbraw/zinc/02/66/77/253026677.db2.gz ZTIGGROMJQOHOZ-UHFFFAOYSA-N 0 1 317.371 0.184 20 5 DCBDMN O=[N+]([O-])c1ccc(O)cc1CN1C[C@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000339195921 253039332 /nfs/dbraw/zinc/03/93/32/253039332.db2.gz PYAXSIKMUZBNPR-NOZJJQNGSA-N 0 1 312.347 0.919 20 5 DCBDMN Cn1c(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000340996855 253332763 /nfs/dbraw/zinc/33/27/63/253332763.db2.gz QCTCJRKYWZDQOM-JTQLQIEISA-N 0 1 323.353 0.003 20 5 DCBDMN Cn1c(C(=O)NCCCN2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000340996855 253332765 /nfs/dbraw/zinc/33/27/65/253332765.db2.gz QCTCJRKYWZDQOM-JTQLQIEISA-N 0 1 323.353 0.003 20 5 DCBDMN COC[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272895886 210286196 /nfs/dbraw/zinc/28/61/96/210286196.db2.gz BVVJBUIKOPJBDJ-SNVBAGLBSA-N 0 1 302.352 0.993 20 5 DCBDMN COc1cc(C(=O)N2CCc3[nH]nnc3C2)ccc1[N+](=O)[O-] ZINC000346112647 254012245 /nfs/dbraw/zinc/01/22/45/254012245.db2.gz TWAKFJKAOZXQGT-UHFFFAOYSA-N 0 1 303.278 0.920 20 5 DCBDMN COCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000351252432 254334979 /nfs/dbraw/zinc/33/49/79/254334979.db2.gz KDYDJUPJPSATJT-SECBINFHSA-N 0 1 309.326 0.023 20 5 DCBDMN CCc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2N)n[nH]1 ZINC000351936629 254382394 /nfs/dbraw/zinc/38/23/94/254382394.db2.gz MJXRRQOEVNUWIT-LURJTMIESA-N 0 1 305.298 0.744 20 5 DCBDMN O=C(CN1CCc2n[nH]nc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000351649404 254356226 /nfs/dbraw/zinc/35/62/26/254356226.db2.gz UYYXLAKVDCSXQD-UHFFFAOYSA-N 0 1 302.294 0.710 20 5 DCBDMN COc1ccc(C(=O)Cn2cnc([N+](=O)[O-])n2)c2c1C(=O)CO2 ZINC000351676699 254358675 /nfs/dbraw/zinc/35/86/75/254358675.db2.gz POCWIGPDMCUVMP-UHFFFAOYSA-N 0 1 318.245 0.653 20 5 DCBDMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000275469622 130324167 /nfs/dbraw/zinc/32/41/67/130324167.db2.gz RGKUYJZPNGIUGF-JTQLQIEISA-N 0 1 310.354 0.840 20 5 DCBDMN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000340225131 131229705 /nfs/dbraw/zinc/22/97/05/131229705.db2.gz GIAMNSSONZLJLM-WCQYABFASA-N 0 1 309.322 0.155 20 5 DCBDMN COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000011639501 395686661 /nfs/dbraw/zinc/68/66/61/395686661.db2.gz GLMUWVNZBAPOFT-GFCCVEGCSA-N 0 1 318.289 0.832 20 5 DCBDMN CCc1nc([C@H](C)NC(=O)Cn2cc([N+](=O)[O-])nc2C)n[nH]1 ZINC000270810525 395811066 /nfs/dbraw/zinc/81/10/66/395811066.db2.gz XZCLBWBWXZRPMF-ZETCQYMHSA-N 0 1 307.314 0.658 20 5 DCBDMN CN(C)[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccsc1 ZINC000048249141 395811632 /nfs/dbraw/zinc/81/16/32/395811632.db2.gz TVIODHRRBHVMCW-JTQLQIEISA-N 0 1 324.366 0.667 20 5 DCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(C2CCCC2)CC1 ZINC000054724517 395904391 /nfs/dbraw/zinc/90/43/91/395904391.db2.gz KNXQQXODSPIBCI-UHFFFAOYSA-N 0 1 307.354 0.878 20 5 DCBDMN CCN1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1=O ZINC000273479021 395924005 /nfs/dbraw/zinc/92/40/05/395924005.db2.gz LOZJJUQEQPFNEA-UHFFFAOYSA-N 0 1 309.326 0.746 20 5 DCBDMN Cc1n[nH]c(CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)n1 ZINC000272318778 395884106 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0.870 20 5 DCBDMN O=C(NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cccnc1 ZINC000068896579 396065387 /nfs/dbraw/zinc/06/53/87/396065387.db2.gz MOWGUVQEOUSYQC-CHWSQXEVSA-N 0 1 318.333 0.468 20 5 DCBDMN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCN1CC=CCC1 ZINC000280275079 396190048 /nfs/dbraw/zinc/19/00/48/396190048.db2.gz PWBCOZICFCWURL-UHFFFAOYSA-N 0 1 306.322 0.135 20 5 DCBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2C(=O)NC2CC2)c1[N+](=O)[O-] ZINC000264130892 396257274 /nfs/dbraw/zinc/25/72/74/396257274.db2.gz DVNPZUWJDXPXAQ-VIFPVBQESA-N 0 1 307.310 0.510 20 5 DCBDMN CN(C)CC[N@@H+](C)CCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000290669762 396469274 /nfs/dbraw/zinc/46/92/74/396469274.db2.gz PDWBOBJOVGVSNF-UHFFFAOYSA-N 0 1 324.381 0.914 20 5 DCBDMN CN(CCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)CC[NH+](C)C ZINC000290669762 396469276 /nfs/dbraw/zinc/46/92/76/396469276.db2.gz PDWBOBJOVGVSNF-UHFFFAOYSA-N 0 1 324.381 0.914 20 5 DCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cn3ccccc3n2)c1 ZINC000581602796 396567671 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COC(=O)[C@H]1C[C@@H](O)CN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000592193623 397120040 /nfs/dbraw/zinc/12/00/40/397120040.db2.gz CNCRQRLWFHRYQD-CMPLNLGQSA-N 0 1 310.306 0.656 20 5 DCBDMN C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000573927337 397219848 /nfs/dbraw/zinc/21/98/48/397219848.db2.gz KWOHTXNDVBRCQL-UHFFFAOYSA-N 0 1 302.308 0.385 20 5 DCBDMN C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000573927337 397219850 /nfs/dbraw/zinc/21/98/50/397219850.db2.gz KWOHTXNDVBRCQL-UHFFFAOYSA-N 0 1 302.308 0.385 20 5 DCBDMN CNc1ccc(C(=O)N(C)Cc2n[nH]c(=O)o2)cc1[N+](=O)[O-] ZINC000598744776 397288558 /nfs/dbraw/zinc/28/85/58/397288558.db2.gz KMEQPXWLNSNDLK-UHFFFAOYSA-N 0 1 307.266 0.997 20 5 DCBDMN COC(=O)Cc1ccc(NCCN2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599175638 397353822 /nfs/dbraw/zinc/35/38/22/397353822.db2.gz FVNUREOGSFEMAB-GFCCVEGCSA-N 0 1 323.349 0.789 20 5 DCBDMN CC(C)(C(=O)NC[C@H]1COCCN1)c1ccc([N+](=O)[O-])cc1 ZINC000602552535 397437992 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CN(Cc1nnc[nH]1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000080528228 158081175 /nfs/dbraw/zinc/08/11/75/158081175.db2.gz NAJMAVQAYGMIPQ-UHFFFAOYSA-N 0 1 311.323 0.675 20 5 DCBDMN C[C@H](CC(N)=O)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000336834257 298351860 /nfs/dbraw/zinc/35/18/60/298351860.db2.gz HQQFFNYNLDNQLC-ZCFIWIBFSA-N 0 1 305.287 0.276 20 5 DCBDMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000370730928 287224306 /nfs/dbraw/zinc/22/43/06/287224306.db2.gz RMOINKAVHMZJQI-YUMQZZPRSA-N 0 1 321.305 0.712 20 5 DCBDMN CN(C)CCN(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000267582632 415143790 /nfs/dbraw/zinc/14/37/90/415143790.db2.gz ZHPUWWXVLVMKFP-UHFFFAOYSA-N 0 1 305.331 0.916 20 5 DCBDMN CCO[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000274263934 415346595 /nfs/dbraw/zinc/34/65/95/415346595.db2.gz VTQIQKYBDQZBAF-BREBYQMCSA-N 0 1 310.310 0.774 20 5 DCBDMN CCn1cc(S(=O)(=O)[N-]C2CCC([NH3+])CC2)c([N+](=O)[O-])n1 ZINC000353269638 415492638 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O=C(N[C@H](CO)Cc1ccc(O)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000191966801 416292663 /nfs/dbraw/zinc/29/26/63/416292663.db2.gz LAGKNNVWQONDDK-VIFPVBQESA-N 0 1 306.278 0.357 20 5 DCBDMN CN(C(=O)CN1CC[C@@](C)(C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000361565678 416453730 /nfs/dbraw/zinc/45/37/30/416453730.db2.gz NTWIHWLFQAIDEG-OAHLLOKOSA-N 0 1 320.349 0.755 20 5 DCBDMN CNc1nccc(C(=O)NCc2n[nH]c(C(C)C)n2)c1[N+](=O)[O-] ZINC000594366444 416559593 /nfs/dbraw/zinc/55/95/93/416559593.db2.gz TYRUHPNPMFMFEK-UHFFFAOYSA-N 0 1 319.325 1.203 20 5 DCBDMN CCOC(=O)c1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000538649524 416569932 /nfs/dbraw/zinc/56/99/32/416569932.db2.gz GSCFSHQZXYFBAC-UHFFFAOYSA-N 0 1 322.281 0.720 20 5 DCBDMN Cn1c(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)ccc1[N+](=O)[O-] ZINC000539324333 416578540 /nfs/dbraw/zinc/57/85/40/416578540.db2.gz BIONJRYDHHKSGY-QMMMGPOBSA-N 0 1 305.298 0.466 20 5 DCBDMN CCC[NH2+]CC[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000440838342 416651189 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CNc1nc(C(=O)N[C@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000455018434 417590314 /nfs/dbraw/zinc/59/03/14/417590314.db2.gz WVIWAJNFKRLFOJ-VIFPVBQESA-N 0 1 305.338 0.998 20 5 DCBDMN CO[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000456385592 417647002 /nfs/dbraw/zinc/64/70/02/417647002.db2.gz ZOAPHXBHWRSHAF-GHMZBOCLSA-N 0 1 306.278 0.303 20 5 DCBDMN Cc1nc(CN2CCN(c3ccc([N+](=O)[O-])cn3)CC2)n[nH]1 ZINC000301976577 230015298 /nfs/dbraw/zinc/01/52/98/230015298.db2.gz COBRMHOAWRTICK-UHFFFAOYSA-N 0 1 303.326 0.739 20 5 DCBDMN C[C@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1nnc[nH]1 ZINC000302062832 230072960 /nfs/dbraw/zinc/07/29/60/230072960.db2.gz SOPAHALPCIWNHC-LURJTMIESA-N 0 1 312.311 0.533 20 5 DCBDMN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H](CO)O1 ZINC000187906926 261125185 /nfs/dbraw/zinc/12/51/85/261125185.db2.gz YFOJHHYQMAJDHC-SCZZXKLOSA-N 0 1 320.305 0.693 20 5 DCBDMN CSc1nn(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC000188154015 261126103 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690135093 /nfs/dbraw/zinc/13/50/93/690135093.db2.gz TZBJVHVUAKIFTR-CHWSQXEVSA-N 0 1 309.366 0.901 20 5 DCBDMN CCN(C(=O)c1[nH]cnc1C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000968127566 690174923 /nfs/dbraw/zinc/17/49/23/690174923.db2.gz LGYCYSZVQLDWTO-GHMZBOCLSA-N 0 1 321.337 0.056 20 5 DCBDMN O=C(c1cc[nH]c1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000968998925 690448305 /nfs/dbraw/zinc/44/83/05/690448305.db2.gz OELZHFYARPJBAC-YVECIDJPSA-N 0 1 318.333 0.495 20 5 DCBDMN CN(CCNC(=O)c1ncccc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001745226786 1157849275 /nfs/dbraw/zinc/84/92/75/1157849275.db2.gz JKBQICUSEQVOPG-PSASIEDQSA-N 0 1 310.285 0.074 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cn(CC)cn1 ZINC001745308023 1157886916 /nfs/dbraw/zinc/88/69/16/1157886916.db2.gz CYYMNIAKTQVRED-ZYHUDNBSSA-N 0 1 323.353 0.147 20 5 DCBDMN Cc1cccc(C(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001747098743 1158078103 /nfs/dbraw/zinc/07/81/03/1158078103.db2.gz NZWHBYMMTXVBPU-FTYDKLPRSA-N 0 1 318.333 0.457 20 5 DCBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1(CCF)CC1 ZINC001687462303 1158642157 /nfs/dbraw/zinc/64/21/57/1158642157.db2.gz LNFYGASDFLHVLQ-GHMZBOCLSA-N 0 1 315.345 0.756 20 5 DCBDMN CN(C)C1(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC001561692616 1159869254 /nfs/dbraw/zinc/86/92/54/1159869254.db2.gz DTOYODGEHOXMDM-UHFFFAOYSA-N 0 1 300.340 0.362 20 5 DCBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC001566693432 1160130787 /nfs/dbraw/zinc/13/07/87/1160130787.db2.gz MOTWJIDYYAKXDS-SECBINFHSA-N 0 1 320.313 0.019 20 5 DCBDMN O=C(NCC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cn[nH]c1 ZINC001572715026 1163295239 /nfs/dbraw/zinc/29/52/39/1163295239.db2.gz NWTPXVYNMVXRFD-GHMZBOCLSA-N 0 1 321.337 0.091 20 5 DCBDMN O=C(/C=C/c1ccc[nH]1)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001575795417 1164154573 /nfs/dbraw/zinc/15/45/73/1164154573.db2.gz FFRZRHAHPVSIOI-GKUNOOHESA-N 0 1 306.322 0.316 20 5 DCBDMN CCC1(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCC1 ZINC001578569718 1165064439 /nfs/dbraw/zinc/06/44/39/1165064439.db2.gz RTWYFSKTMMMKGM-DDHJBXDOSA-N 0 1 309.366 0.995 20 5 DCBDMN O=C(NC[C@H]1COCCN1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001580666697 1165679867 /nfs/dbraw/zinc/67/98/67/1165679867.db2.gz XNGYIKOIOUIVSP-JTQLQIEISA-N 0 1 304.306 0.794 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1[nH]ccc1C ZINC001581082880 1165785714 /nfs/dbraw/zinc/78/57/14/1165785714.db2.gz WHIBODLARYIRAU-GHMZBOCLSA-N 0 1 308.338 0.567 20 5 DCBDMN Cc1ccncc1C(=O)N(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001582941903 1166137648 /nfs/dbraw/zinc/13/76/48/1166137648.db2.gz PWUQOWNKUPYXCG-DGCLKSJQSA-N 0 1 320.349 0.586 20 5 DCBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CN(C)CCN1C ZINC001586538794 1166495330 /nfs/dbraw/zinc/49/53/30/1166495330.db2.gz QHPSFCQKUSJSPJ-HZMBPMFUSA-N 0 1 321.381 0.541 20 5 DCBDMN CCN(CC)C(=O)[C@H](C)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001590683221 1166972863 /nfs/dbraw/zinc/97/28/63/1166972863.db2.gz PYLHXLZJWMMIMQ-ZETCQYMHSA-N 0 1 308.302 0.401 20 5 DCBDMN CCN1CC[C@@H]1CNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590731543 1166990166 /nfs/dbraw/zinc/99/01/66/1166990166.db2.gz WQXRREQGDXEDOR-SECBINFHSA-N 0 1 304.314 0.676 20 5 DCBDMN C[NH+](C)C[C@H](CO)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591012450 1167079697 /nfs/dbraw/zinc/07/96/97/1167079697.db2.gz QGQXHUYUBYMSGH-ZCFIWIBFSA-N 0 1 313.343 0.171 20 5 DCBDMN C[NH+](C)C[C@H](CO)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591012450 1167079704 /nfs/dbraw/zinc/07/97/04/1167079704.db2.gz QGQXHUYUBYMSGH-ZCFIWIBFSA-N 0 1 313.343 0.171 20 5 DCBDMN C[N@@H+]1CC[C@@H]2CN(c3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])C[C@@H]21 ZINC001591196360 1167145070 /nfs/dbraw/zinc/14/50/70/1167145070.db2.gz VVNWRFYKIOVYBE-SKDRFNHKSA-N 0 1 315.337 0.915 20 5 DCBDMN C[N@H+]1CC[C@@H]2CN(c3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])C[C@@H]21 ZINC001591196360 1167145074 /nfs/dbraw/zinc/14/50/74/1167145074.db2.gz VVNWRFYKIOVYBE-SKDRFNHKSA-N 0 1 315.337 0.915 20 5 DCBDMN C[N@@H+]1CC[C@@H]2CN(c3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])C[C@@H]21 ZINC001591196360 1167145076 /nfs/dbraw/zinc/14/50/76/1167145076.db2.gz VVNWRFYKIOVYBE-SKDRFNHKSA-N 0 1 315.337 0.915 20 5 DCBDMN C[N@H+]1CC[C@@H]2CN(c3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])C[C@@H]21 ZINC001591196360 1167145080 /nfs/dbraw/zinc/14/50/80/1167145080.db2.gz VVNWRFYKIOVYBE-SKDRFNHKSA-N 0 1 315.337 0.915 20 5 DCBDMN Cc1noc(COc2cnc(-c3nn[nH]n3)nc2)c1[N+](=O)[O-] ZINC001592462179 1167531443 /nfs/dbraw/zinc/53/14/43/1167531443.db2.gz IBFSNEDHABEDMC-UHFFFAOYSA-N 0 1 304.226 0.440 20 5 DCBDMN O=C(NC1(c2cccc(-c3nn[nH]n3)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001592960980 1167674915 /nfs/dbraw/zinc/67/49/15/1167674915.db2.gz CUNLPUPVOJVUEW-GHMZBOCLSA-N 0 1 314.305 0.637 20 5 DCBDMN O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1CN1C[C@H]2C[C@@]2(CO)C1 ZINC001593480546 1167866213 /nfs/dbraw/zinc/86/62/13/1167866213.db2.gz BNGOCMDEKJEDDN-OTYXRUKQSA-N 0 1 316.321 0.589 20 5 DCBDMN NC(=O)C1([NH2+]Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCOCC1 ZINC001601139434 1168595926 /nfs/dbraw/zinc/59/59/26/1168595926.db2.gz UVXZEAJIOGBRSV-UHFFFAOYSA-N 0 1 323.305 0.417 20 5 DCBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](O)(C(=O)[O-])C1 ZINC001603179837 1169268238 /nfs/dbraw/zinc/26/82/38/1169268238.db2.gz AINNKEHUYWLCIT-XPTSAGLGSA-N 0 1 323.305 0.443 20 5 DCBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](O)(C(=O)[O-])C1 ZINC001603179837 1169268245 /nfs/dbraw/zinc/26/82/45/1169268245.db2.gz AINNKEHUYWLCIT-XPTSAGLGSA-N 0 1 323.305 0.443 20 5 DCBDMN Cc1ncsc1CCn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001606104271 1170077229 /nfs/dbraw/zinc/07/72/29/1170077229.db2.gz JNZUCRCMJPIZNS-UHFFFAOYSA-N 0 1 306.311 0.979 20 5 DCBDMN C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001609854470 1171105060 /nfs/dbraw/zinc/10/50/60/1171105060.db2.gz VSTCTNPHTAPYHY-RHYQMDGZSA-N 0 1 324.337 0.886 20 5 DCBDMN C[N@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C(=O)[O-])C1 ZINC001610135454 1171170799 /nfs/dbraw/zinc/17/07/99/1171170799.db2.gz RDTNMGFGTCROGO-OCCSQVGLSA-N 0 1 323.349 0.576 20 5 DCBDMN Cc1nc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC001622648396 1171374643 /nfs/dbraw/zinc/37/46/43/1171374643.db2.gz XUBMHHAQSOBCAD-UHFFFAOYSA-N 0 1 311.323 0.808 20 5 DCBDMN COC(=O)COc1ccc(CN2C[C@@H](C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC001621538533 1171411611 /nfs/dbraw/zinc/41/16/11/1171411611.db2.gz LYSNVILCHMADOZ-MFKMUULPSA-N 0 1 324.333 0.959 20 5 DCBDMN COC(=O)COc1ccc(CN2C[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001621538531 1171412090 /nfs/dbraw/zinc/41/20/90/1171412090.db2.gz LYSNVILCHMADOZ-GWCFXTLKSA-N 0 1 324.333 0.959 20 5 DCBDMN CC(C)[C@H](O)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001621803856 1171414152 /nfs/dbraw/zinc/41/41/52/1171414152.db2.gz VOSIYWLZCYYIGI-SECBINFHSA-N 0 1 306.344 0.014 20 5 DCBDMN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)CN1CCCCC1 ZINC001623852843 1171446224 /nfs/dbraw/zinc/44/62/24/1171446224.db2.gz KNYGSKHKZCIJRP-NSHDSACASA-N 0 1 322.365 0.754 20 5 DCBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2CCCCN(C)C2=O)c1[N+](=O)[O-] ZINC001635150743 1171694086 /nfs/dbraw/zinc/69/40/86/1171694086.db2.gz ZPIBADKVVKOMMZ-JTQLQIEISA-N 0 1 323.353 0.963 20 5 DCBDMN O=C(NC[C@@H]1CCN(CC(F)F)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001636573479 1171741633 /nfs/dbraw/zinc/74/16/33/1171741633.db2.gz WFVLGAGPYOBJOK-ZETCQYMHSA-N 0 1 303.269 0.635 20 5 DCBDMN Cc1nc(Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001641076307 1171903965 /nfs/dbraw/zinc/90/39/65/1171903965.db2.gz GYAKXEIKXHSJSR-UHFFFAOYSA-N 0 1 302.250 0.886 20 5 DCBDMN Cn1cc([N+](=O)[O-])c(N2CC[C@](C)(NC(=O)C(F)(F)F)C2)n1 ZINC001643088122 1171964215 /nfs/dbraw/zinc/96/42/15/1171964215.db2.gz VPOLNRJYZCLMRF-JTQLQIEISA-N 0 1 321.259 0.976 20 5 DCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001643695804 1171983173 /nfs/dbraw/zinc/98/31/73/1171983173.db2.gz QLEHSURRNOUNMO-WDEREUQCSA-N 0 1 309.326 0.530 20 5 DCBDMN O=C(N[C@H]1CCCN2CCSC[C@@H]12)c1n[nH]cc1[N+](=O)[O-] ZINC001644757546 1172019863 /nfs/dbraw/zinc/01/98/63/1172019863.db2.gz JMGIYDMRMBLIHN-WPRPVWTQSA-N 0 1 311.367 0.628 20 5 DCBDMN CN1CC[C@@H]1CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001645082125 1172028115 /nfs/dbraw/zinc/02/81/15/1172028115.db2.gz LCJFRMUPASAAOG-GFCCVEGCSA-N 0 1 321.337 0.537 20 5 DCBDMN C[C@](CO)(NC[C@@H](O)C1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC001655317965 1173817976 /nfs/dbraw/zinc/81/79/76/1173817976.db2.gz MIZSYNYHNHPXQS-ZIAGYGMSSA-N 0 1 310.350 0.668 20 5 DCBDMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ncc(C)o1 ZINC001660524758 1174004748 /nfs/dbraw/zinc/00/47/48/1174004748.db2.gz HSNBGIDOIVOUTO-VXGBXAGGSA-N 0 1 310.354 0.976 20 5 DCBDMN Nc1ncccc1CN[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001660657508 1174030350 /nfs/dbraw/zinc/03/03/50/1174030350.db2.gz PUTOVZGRYRJNSE-ZIAGYGMSSA-N 0 1 318.333 0.756 20 5 DCBDMN Cc1ccc(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])nc1C ZINC001688325647 1176453458 /nfs/dbraw/zinc/45/34/58/1176453458.db2.gz KVKGDBBGLKTUCJ-DGCLKSJQSA-N 0 1 320.349 0.552 20 5 DCBDMN Cc1ncsc1C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001689240526 1176758457 /nfs/dbraw/zinc/75/84/57/1176758457.db2.gz LLHBOBGXQFYRHT-HLKOZVMDSA-N 0 1 324.362 0.519 20 5 DCBDMN Cc1cnccc1C(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001704202651 1179928720 /nfs/dbraw/zinc/92/87/20/1179928720.db2.gz IDXCNQYGNLMZPA-VXGBXAGGSA-N 0 1 306.322 0.243 20 5 DCBDMN CCc1cccc(C(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001704219271 1179936354 /nfs/dbraw/zinc/93/63/54/1179936354.db2.gz JGVQIKAOBOBFDK-DGCLKSJQSA-N 0 1 320.349 0.497 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCc1ccco1 ZINC001704275623 1179958509 /nfs/dbraw/zinc/95/85/09/1179958509.db2.gz ITRFALBZDFJVNS-CHWSQXEVSA-N 0 1 323.349 0.842 20 5 DCBDMN CCCSCC(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001704502816 1180024995 /nfs/dbraw/zinc/02/49/95/1180024995.db2.gz CNOBYBYBWQCMFY-NXEZZACHSA-N 0 1 301.368 0.122 20 5 DCBDMN C/C(=C\C(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC001704559471 1180061667 /nfs/dbraw/zinc/06/16/67/1180061667.db2.gz JAHBSOYJIRMBJD-BDFMHNHWSA-N 0 1 307.350 0.583 20 5 DCBDMN CN(CCN(C)C(=O)C1(C(F)F)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001704884336 1180160392 /nfs/dbraw/zinc/16/03/92/1180160392.db2.gz OHNDDAAZJKVTEP-RKDXNWHRSA-N 0 1 319.308 0.614 20 5 DCBDMN CC(C)OCCC(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001705331802 1180349491 /nfs/dbraw/zinc/34/94/91/1180349491.db2.gz VEOOMGWXZRAPJC-VXGBXAGGSA-N 0 1 313.354 0.136 20 5 DCBDMN CN(CCNC(=O)Cc1nnc[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001713473868 1180851297 /nfs/dbraw/zinc/85/12/97/1180851297.db2.gz ZEDFXPXJDRAMMD-UHFFFAOYSA-N 0 1 318.337 0.504 20 5 DCBDMN Cc1ncoc1C(=O)N(C)CCNCc1c([N+](=O)[O-])ncn1C ZINC001714696667 1181486680 /nfs/dbraw/zinc/48/66/80/1181486680.db2.gz JIXYNJQIKQGNIM-UHFFFAOYSA-N 0 1 322.325 0.487 20 5 DCBDMN O=C(Cc1ccsc1)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001722053684 1184154191 /nfs/dbraw/zinc/15/41/91/1184154191.db2.gz PIDSNNLWEUAIFN-GHMZBOCLSA-N 0 1 323.374 0.721 20 5 DCBDMN COCC(=O)NCC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001722240672 1184212749 /nfs/dbraw/zinc/21/27/49/1184212749.db2.gz WVXYPHWBUGKTNL-GHMZBOCLSA-N 0 1 313.354 0.043 20 5 DCBDMN Cc1ccc(C)c(CC(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001736741615 1187080742 /nfs/dbraw/zinc/08/07/42/1187080742.db2.gz RSZYOOZPFQWUTE-ZIAGYGMSSA-N 0 1 319.361 0.744 20 5 DCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1occc1Cl ZINC001737726473 1187394077 /nfs/dbraw/zinc/39/40/77/1187394077.db2.gz VRPHXMVUJGBWPR-VXNVDRBHSA-N 0 1 315.713 0.786 20 5 DCBDMN CCc1nc[nH]c1C(=O)N(CC)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737798717 1187408631 /nfs/dbraw/zinc/40/86/31/1187408631.db2.gz ZKGJFYOUOZZWIV-MWLCHTKSSA-N 0 1 323.353 0.216 20 5 DCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccsn1 ZINC001737797291 1187408986 /nfs/dbraw/zinc/40/89/86/1187408986.db2.gz GSLWMHQYBALBQU-PSASIEDQSA-N 0 1 312.351 0.387 20 5 DCBDMN O=C(CCc1ccccn1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001738011689 1187446705 /nfs/dbraw/zinc/44/67/05/1187446705.db2.gz JRGNEDMLWSCHOT-CHWSQXEVSA-N 0 1 318.333 0.006 20 5 DCBDMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)[nH]1 ZINC001758171605 1189767276 /nfs/dbraw/zinc/76/72/76/1189767276.db2.gz IXQOZDKOTPIMLM-VXNVDRBHSA-N 0 1 314.729 0.569 20 5 DCBDMN COc1ccccc1C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001758171777 1189768541 /nfs/dbraw/zinc/76/85/41/1189768541.db2.gz LNAIWLBRDGDVGU-VXGBXAGGSA-N 0 1 321.333 0.597 20 5 DCBDMN CN(CCCNC(=O)C1(CF)CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001758456020 1189896430 /nfs/dbraw/zinc/89/64/30/1189896430.db2.gz CODSJXILNKZNKV-GHMZBOCLSA-N 0 1 315.345 0.756 20 5 DCBDMN O=C(NCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1)c1ccon1 ZINC001759074977 1190082813 /nfs/dbraw/zinc/08/28/13/1190082813.db2.gz FVFMVCMYYSERDZ-MWLCHTKSSA-N 0 1 308.294 0.061 20 5 DCBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1(C(F)(F)F)CC1 ZINC001759229241 1190131606 /nfs/dbraw/zinc/13/16/06/1190131606.db2.gz UDRLGFAHVAIKLO-HTQZYQBOSA-N 0 1 321.255 0.321 20 5 DCBDMN Cc1coc(C(=O)N(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001759558235 1190210127 /nfs/dbraw/zinc/21/01/27/1190210127.db2.gz VKFNMGFCCKSPEW-GHMZBOCLSA-N 0 1 309.322 0.784 20 5 DCBDMN