smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)OC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000819928771 945313305 /nfs/dbraw/zinc/31/33/05/945313305.db2.gz WOWSZBMIPYTIOT-NSHDSACASA-N -1 3 377.361 0.717 20 5 GCBDHM CC(C)(C)OC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000819928771 945313314 /nfs/dbraw/zinc/31/33/14/945313314.db2.gz WOWSZBMIPYTIOT-NSHDSACASA-N -1 3 377.361 0.717 20 5 GCBDHM CC(=O)N(C)CC(=O)N(C)CCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001573389482 947924276 /nfs/dbraw/zinc/92/42/76/947924276.db2.gz ROJSPWYJLXKYLD-UHFFFAOYSA-N -1 3 390.404 0.514 20 5 GCBDHM CC(=O)N(C)CC(=O)N(C)CCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001573389482 947924283 /nfs/dbraw/zinc/92/42/83/947924283.db2.gz ROJSPWYJLXKYLD-UHFFFAOYSA-N -1 3 390.404 0.514 20 5 GCBDHM Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826396424 948208412 /nfs/dbraw/zinc/20/84/12/948208412.db2.gz XRNVCIAVKQYQIR-UHFFFAOYSA-N -1 3 395.383 0.715 20 5 GCBDHM Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826396424 948208421 /nfs/dbraw/zinc/20/84/21/948208421.db2.gz XRNVCIAVKQYQIR-UHFFFAOYSA-N -1 3 395.383 0.715 20 5 GCBDHM O=[N+]([O-])c1cnc2c(c1)CN(C[C@@H](O)COc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826500977 948416575 /nfs/dbraw/zinc/41/65/75/948416575.db2.gz UJAYIHBTWXQATQ-OAHLLOKOSA-N -1 3 397.395 0.968 20 5 GCBDHM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001595317202 980489392 /nfs/dbraw/zinc/48/93/92/980489392.db2.gz NNOPHVWKBRJLMR-VXGBXAGGSA-N -1 3 382.421 0.302 20 5 GCBDHM CN(C(=O)CNC1(C(=O)[O-])CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001598024924 990233562 /nfs/dbraw/zinc/23/35/62/990233562.db2.gz KIXBBENNZHBBRI-UHFFFAOYSA-N -1 3 385.398 0.179 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-]C2CCC3(CC2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000511043589 530146062 /nfs/dbraw/zinc/14/60/62/530146062.db2.gz IPZKFMOTSAHVSY-UHFFFAOYSA-N -1 3 388.427 0.764 20 5 GCBDHM CCn1cc(S(=O)(=O)[N-]CCCN2CCCO[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000432291936 530189665 /nfs/dbraw/zinc/18/96/65/530189665.db2.gz PGDPXZHHVJXXKL-LBPRGKRZSA-N -1 3 375.451 0.590 20 5 GCBDHM CN(C)C(=O)[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)O1 ZINC000561102339 530190781 /nfs/dbraw/zinc/19/07/81/530190781.db2.gz WWKJCBLGYVNDAH-PWSUYJOCSA-N -1 3 375.378 0.648 20 5 GCBDHM COC(=O)C[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000599461407 530164377 /nfs/dbraw/zinc/16/43/77/530164377.db2.gz DUEUFMKDVZTJOJ-QMMMGPOBSA-N -1 3 397.203 0.560 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCS(=O)(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000599458103 530164559 /nfs/dbraw/zinc/16/45/59/530164559.db2.gz OYXPCUBWGIDTEO-GMSGAONNSA-N -1 3 382.391 0.596 20 5 GCBDHM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000511326225 530178811 /nfs/dbraw/zinc/17/88/11/530178811.db2.gz NAVNOVCKSYGTBG-VXGBXAGGSA-N -1 3 391.471 0.981 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCS(=O)(=O)C(C)C ZINC000288468065 530260357 /nfs/dbraw/zinc/26/03/57/530260357.db2.gz TZJDFXJKQYARKL-UHFFFAOYSA-N -1 3 394.427 0.483 20 5 GCBDHM CN1CCN(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000289261942 530263451 /nfs/dbraw/zinc/26/34/51/530263451.db2.gz AHYGFKUFYXQMOZ-UHFFFAOYSA-N -1 3 380.829 0.913 20 5 GCBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCn2ccnn2)c1 ZINC000611791154 530267074 /nfs/dbraw/zinc/26/70/74/530267074.db2.gz MCAKZSOHARUQTH-UHFFFAOYSA-N -1 3 376.192 0.927 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000614551115 530309967 /nfs/dbraw/zinc/30/99/67/530309967.db2.gz YRVNLKDTRYBEKV-TVQRCGJNSA-N -1 3 377.394 0.740 20 5 GCBDHM COC(=O)CSCC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264409056 530362303 /nfs/dbraw/zinc/36/23/03/530362303.db2.gz PQNLQPOKWOSXFW-UHFFFAOYSA-N -1 3 392.411 0.551 20 5 GCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCS(=O)(=O)NC2CC2)c1C ZINC000480952610 530366320 /nfs/dbraw/zinc/36/63/20/530366320.db2.gz NSUOIGQNEJYCLE-UHFFFAOYSA-N -1 3 377.444 0.572 20 5 GCBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC2CN(S(C)(=O)=O)C2)c1[N+](=O)[O-] ZINC000480691325 530342398 /nfs/dbraw/zinc/34/23/98/530342398.db2.gz FMDOOVLQTCOXRW-UHFFFAOYSA-N -1 3 377.444 0.381 20 5 GCBDHM CCS(=O)(=O)N(C)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000032442500 530406063 /nfs/dbraw/zinc/40/60/63/530406063.db2.gz ULLFQDGEPSDNQX-UHFFFAOYSA-N -1 3 395.459 0.553 20 5 GCBDHM CN(C)S(=O)(=O)C[C@@H]([N-]c1nccc(C(N)=O)c1[N+](=O)[O-])C(F)(F)F ZINC000291081954 530485906 /nfs/dbraw/zinc/48/59/06/530485906.db2.gz IFYAAUUFWLLSKP-SSDOTTSWSA-N -1 3 385.324 0.323 20 5 GCBDHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)OC ZINC000291643484 530494814 /nfs/dbraw/zinc/49/48/14/530494814.db2.gz APRVOLRXHMSFRI-SNVBAGLBSA-N -1 3 397.203 0.824 20 5 GCBDHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)OC ZINC000291883911 530510311 /nfs/dbraw/zinc/51/03/11/530510311.db2.gz HFXCVUFRBZUENT-SNVBAGLBSA-N -1 3 397.203 0.824 20 5 GCBDHM CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000051162394 530512627 /nfs/dbraw/zinc/51/26/27/530512627.db2.gz KECJZAAYPCRRNV-UHFFFAOYSA-N -1 3 385.851 0.856 20 5 GCBDHM CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000051162434 530513038 /nfs/dbraw/zinc/51/30/38/530513038.db2.gz MJXFZKATSGPXCQ-UHFFFAOYSA-N -1 3 381.432 0.211 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@]1(O)CCSC1 ZINC000276289364 530526785 /nfs/dbraw/zinc/52/67/85/530526785.db2.gz ZIHFHKNISBODJM-ZDUSSCGKSA-N -1 3 376.412 0.528 20 5 GCBDHM CCS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000438889034 530571538 /nfs/dbraw/zinc/57/15/38/530571538.db2.gz YCMHANSKDGCYNL-UHFFFAOYSA-N -1 3 383.473 0.525 20 5 GCBDHM CC(C)OCCS(=O)(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000267129128 530571550 /nfs/dbraw/zinc/57/15/50/530571550.db2.gz CCLPSNCCQLKXHP-UHFFFAOYSA-N -1 3 395.459 0.218 20 5 GCBDHM CCS(=O)(=O)NCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000267709502 530596927 /nfs/dbraw/zinc/59/69/27/530596927.db2.gz VLTHQNYYWNYBCZ-UHFFFAOYSA-N -1 3 385.851 0.774 20 5 GCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000268265335 530682404 /nfs/dbraw/zinc/68/24/04/530682404.db2.gz ROBAZIBHSCVPAX-NEPJUHHUSA-N -1 3 391.471 0.899 20 5 GCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000268265336 530682753 /nfs/dbraw/zinc/68/27/53/530682753.db2.gz ROBAZIBHSCVPAX-NWDGAFQWSA-N -1 3 391.471 0.899 20 5 GCBDHM CN1CC[C@](O)(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000545160340 530653126 /nfs/dbraw/zinc/65/31/26/530653126.db2.gz QBPNZEBIVRCWSV-LBPRGKRZSA-N -1 3 394.247 0.702 20 5 GCBDHM COCC[C@@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(=O)OC ZINC000589307699 530662477 /nfs/dbraw/zinc/66/24/77/530662477.db2.gz CXSPBCUBGKCXKP-SNVBAGLBSA-N -1 3 380.350 0.599 20 5 GCBDHM CC(C)(C)NS(=O)(=O)CC[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546094224 530692524 /nfs/dbraw/zinc/69/25/24/530692524.db2.gz DSKBUZFBMXIAEJ-UHFFFAOYSA-N -1 3 379.460 0.732 20 5 GCBDHM CN1C[C@H]([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1=O ZINC000268901674 530694307 /nfs/dbraw/zinc/69/43/07/530694307.db2.gz WPOPYKWLDFDJIZ-SSDOTTSWSA-N -1 3 378.204 0.866 20 5 GCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCS(=O)(=O)NC(C)C)c1C ZINC000268875987 530694398 /nfs/dbraw/zinc/69/43/98/530694398.db2.gz QIUTVOGTBDOJCR-UHFFFAOYSA-N -1 3 379.460 0.818 20 5 GCBDHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000546659634 530696570 /nfs/dbraw/zinc/69/65/70/530696570.db2.gz LNKGLHZQTKQPBD-UHFFFAOYSA-N -1 3 387.805 0.576 20 5 GCBDHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000269153381 530697923 /nfs/dbraw/zinc/69/79/23/530697923.db2.gz TVPHVLKYJKYMEZ-UHFFFAOYSA-N -1 3 390.399 0.627 20 5 GCBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCCN2S(C)(=O)=O)c1[N+](=O)[O-] ZINC000276668767 530684106 /nfs/dbraw/zinc/68/41/06/530684106.db2.gz FXLNTTHTNSMQDZ-GFCCVEGCSA-N -1 3 391.471 0.914 20 5 GCBDHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000486007967 530758492 /nfs/dbraw/zinc/75/84/92/530758492.db2.gz UBZVMMGGOLLQFN-SFYZADRCSA-N -1 3 393.443 0.928 20 5 GCBDHM CC[C@@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000295500897 530758959 /nfs/dbraw/zinc/75/89/59/530758959.db2.gz BNSIRIRWKORUTF-VIFPVBQESA-N -1 3 381.432 0.210 20 5 GCBDHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1cc([N+](=O)[O-])n[nH]1 ZINC000552589702 530772556 /nfs/dbraw/zinc/77/25/56/530772556.db2.gz BVLZXUWWHGIBPM-UHFFFAOYSA-N -1 3 391.768 0.819 20 5 GCBDHM CC[C@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000295676357 530778794 /nfs/dbraw/zinc/77/87/94/530778794.db2.gz HPBABNDTWDTHMR-LLVKDONJSA-N -1 3 379.460 0.818 20 5 GCBDHM CC[C@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000295748133 530784897 /nfs/dbraw/zinc/78/48/97/530784897.db2.gz OBDABTNXFPCJHY-MRVPVSSYSA-N -1 3 385.851 0.854 20 5 GCBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN2CCCS2(=O)=O)cc1C ZINC000060924765 530785309 /nfs/dbraw/zinc/78/53/09/530785309.db2.gz SUDWWRRCTUJAPW-UHFFFAOYSA-N -1 3 377.444 0.525 20 5 GCBDHM CC[C@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000295805167 530789361 /nfs/dbraw/zinc/78/93/61/530789361.db2.gz SXJOPPJKNJCFOW-SECBINFHSA-N -1 3 381.432 0.210 20 5 GCBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCN2CCOCC2)c1 ZINC000066568787 530790056 /nfs/dbraw/zinc/79/00/56/530790056.db2.gz DTOQMCAZCCGXFM-UHFFFAOYSA-N -1 3 394.247 0.968 20 5 GCBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCN(C)S(C)(=O)=O)cc1C ZINC000060499629 530820387 /nfs/dbraw/zinc/82/03/87/530820387.db2.gz JLUIWZFFCUUDHZ-UHFFFAOYSA-N -1 3 379.460 0.771 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000593629653 530822311 /nfs/dbraw/zinc/82/23/11/530822311.db2.gz HGPRLNVKDWCTCQ-QMMMGPOBSA-N -1 3 397.406 0.055 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CCF)C(=O)OC ZINC000593632100 530822325 /nfs/dbraw/zinc/82/23/25/530822325.db2.gz JIIGUECWYBPXHO-SNVBAGLBSA-N -1 3 378.334 0.561 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](CO)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000416609366 530847537 /nfs/dbraw/zinc/84/75/37/530847537.db2.gz MLOBXXSVTZTVKD-JOYOIKCWSA-N -1 3 378.378 0.808 20 5 GCBDHM Cc1ccc(S(=O)(=O)[N-]CCS(=O)(=O)NC(C)(C)C)c([N+](=O)[O-])c1 ZINC000523110713 530855305 /nfs/dbraw/zinc/85/53/05/530855305.db2.gz XODMNUZRUYQNSB-UHFFFAOYSA-N -1 3 379.460 0.899 20 5 GCBDHM CCn1cc(S(=O)(=O)[N-]C[C@@H](O)CN2CCC(C)CC2)c([N+](=O)[O-])n1 ZINC000532853309 530899573 /nfs/dbraw/zinc/89/95/73/530899573.db2.gz SLFFCRDKOUKILD-GFCCVEGCSA-N -1 3 375.451 0.182 20 5 GCBDHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H](C)O ZINC000275775470 530909494 /nfs/dbraw/zinc/90/94/94/530909494.db2.gz MQPRKRIGIBRECF-QUBYGPBYSA-N -1 3 397.203 0.558 20 5 GCBDHM COCCN(C)CC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000275671508 530909541 /nfs/dbraw/zinc/90/95/41/530909541.db2.gz OLQYTIBVRRHAGM-UHFFFAOYSA-N -1 3 375.403 0.223 20 5 GCBDHM CCS(=O)(=O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276260329 530910413 /nfs/dbraw/zinc/91/04/13/530910413.db2.gz UBQZCFKNLHFYPK-UHFFFAOYSA-N -1 3 380.400 0.094 20 5 GCBDHM COC(=O)CSCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276271015 530910590 /nfs/dbraw/zinc/91/05/90/530910590.db2.gz VXFHPQHCGAMKLN-UHFFFAOYSA-N -1 3 392.411 0.566 20 5 GCBDHM CO[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000594822781 530885445 /nfs/dbraw/zinc/88/54/45/530885445.db2.gz OUONSHYZZJYYBV-MNOVXSKESA-N -1 3 378.428 0.302 20 5 GCBDHM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594827107 530886454 /nfs/dbraw/zinc/88/64/54/530886454.db2.gz RXOBGCKEEPMQDY-NXEZZACHSA-N -1 3 384.819 0.339 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2(CS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000275107312 530886535 /nfs/dbraw/zinc/88/65/35/530886535.db2.gz VKOFBVDLRLZNMY-UHFFFAOYSA-N -1 3 396.418 0.846 20 5 GCBDHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067329589 530888656 /nfs/dbraw/zinc/88/86/56/530888656.db2.gz GIFAKJULNMAJQF-UHFFFAOYSA-N -1 3 383.158 0.524 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000491661859 530930740 /nfs/dbraw/zinc/93/07/40/530930740.db2.gz JRGSRRPQBXTZBA-QMMMGPOBSA-N -1 3 382.391 0.598 20 5 GCBDHM Cc1nc(S(=O)(=O)N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cs1 ZINC000596113013 530931193 /nfs/dbraw/zinc/93/11/93/530931193.db2.gz ZOXYLGFDPCVHLT-UHFFFAOYSA-N -1 3 385.427 0.971 20 5 GCBDHM CNC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000493541981 530933352 /nfs/dbraw/zinc/93/33/52/530933352.db2.gz HNISIVVDVVKXMT-KOLCDFICSA-N -1 3 375.378 0.936 20 5 GCBDHM COC(=O)CCN1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1=O ZINC000467056310 530914697 /nfs/dbraw/zinc/91/46/97/530914697.db2.gz HAUCVEKMVAMDIV-SECBINFHSA-N -1 3 391.427 0.407 20 5 GCBDHM CC(=O)N1CCN(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000467418128 530915673 /nfs/dbraw/zinc/91/56/73/530915673.db2.gz IYEGRBJOXPYBSZ-UHFFFAOYSA-N -1 3 376.460 0.407 20 5 GCBDHM CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000468811794 530917435 /nfs/dbraw/zinc/91/74/35/530917435.db2.gz CVVVGVILFKTXTJ-SECBINFHSA-N -1 3 394.427 0.483 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CO)CCSC ZINC000469165382 530918002 /nfs/dbraw/zinc/91/80/02/530918002.db2.gz XRVXTUIJRTYDPL-SECBINFHSA-N -1 3 378.428 0.774 20 5 GCBDHM COC(=O)CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OC ZINC000468994694 530918346 /nfs/dbraw/zinc/91/83/46/530918346.db2.gz QDWSCVLLXMSGDG-QMMMGPOBSA-N -1 3 380.400 0.738 20 5 GCBDHM COCCOC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000469161553 530918454 /nfs/dbraw/zinc/91/84/54/530918454.db2.gz GCYDHNCHOUEGLR-SNVBAGLBSA-N -1 3 376.387 0.711 20 5 GCBDHM CS[C@@H](CO)[C@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000281160892 530920915 /nfs/dbraw/zinc/92/09/15/530920915.db2.gz IDDFTKNXYHYHFV-ONGXEEELSA-N -1 3 377.444 0.102 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(OCCO)CCOCC2)c(F)c1 ZINC000282109846 530923188 /nfs/dbraw/zinc/92/31/88/530923188.db2.gz TZKANNBPERGIIN-UHFFFAOYSA-N -1 3 378.378 0.570 20 5 GCBDHM C[C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000474312484 530925337 /nfs/dbraw/zinc/92/53/37/530925337.db2.gz TYBVPFUQVHSEMV-SECBINFHSA-N -1 3 394.427 0.468 20 5 GCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCN[C@@H]1CCCS(=O)(=O)C1 ZINC000271723641 530925994 /nfs/dbraw/zinc/92/59/94/530925994.db2.gz QSAHMSSLFNYJEF-LLVKDONJSA-N -1 3 377.444 0.040 20 5 GCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCN[C@H]1CCCS(=O)(=O)C1 ZINC000271723644 530926040 /nfs/dbraw/zinc/92/60/40/530926040.db2.gz QSAHMSSLFNYJEF-NSHDSACASA-N -1 3 377.444 0.040 20 5 GCBDHM CSC[C@@](C)(O)C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269787854 530927441 /nfs/dbraw/zinc/92/74/41/530927441.db2.gz QDCFPLWVXNOORQ-ZDUSSCGKSA-N -1 3 378.428 0.758 20 5 GCBDHM CS(=O)(=O)N1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000269853538 530950700 /nfs/dbraw/zinc/95/07/00/530950700.db2.gz GKIXZTPECIVIQB-SECBINFHSA-N -1 3 397.862 0.808 20 5 GCBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCN(S(C)(=O)=O)C2)cc1C ZINC000269875594 530951278 /nfs/dbraw/zinc/95/12/78/530951278.db2.gz PFGDBWXOJIFJII-LBPRGKRZSA-N -1 3 391.471 0.771 20 5 GCBDHM COC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000487110679 530981301 /nfs/dbraw/zinc/98/13/01/530981301.db2.gz IIEUSPZBFLIHOQ-CQSZACIVSA-N -1 3 376.387 0.850 20 5 GCBDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)OC ZINC000272435575 530995374 /nfs/dbraw/zinc/99/53/74/530995374.db2.gz HLLKPNLHSNQSLW-MRVPVSSYSA-N -1 3 394.789 0.940 20 5 GCBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCN2CCNC(=O)C2)cc1[N+](=O)[O-] ZINC000272717639 531008222 /nfs/dbraw/zinc/00/82/22/531008222.db2.gz WPMOFNCTGSFQNC-UHFFFAOYSA-N -1 3 376.822 0.267 20 5 GCBDHM CC(=O)N1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000572378795 530998814 /nfs/dbraw/zinc/99/88/14/530998814.db2.gz RLIOGIAWDDFSMU-UHFFFAOYSA-N -1 3 378.204 0.866 20 5 GCBDHM NS(=O)(=O)c1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000056044106 531001630 /nfs/dbraw/zinc/00/16/30/531001630.db2.gz WZHRBUAWLSIKSN-UHFFFAOYSA-N -1 3 389.386 0.860 20 5 GCBDHM CC[C@@](COC)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)OC ZINC000416514273 531038665 /nfs/dbraw/zinc/03/86/65/531038665.db2.gz GAQOKNLZQLYLMU-AWEZNQCLSA-N -1 3 376.387 0.850 20 5 GCBDHM CC[C@](COC)([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(=O)OC ZINC000416517851 531038732 /nfs/dbraw/zinc/03/87/32/531038732.db2.gz SNNJZDOIQXBXAQ-CQSZACIVSA-N -1 3 376.387 0.850 20 5 GCBDHM Cn1cnnc1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000108873747 531040079 /nfs/dbraw/zinc/04/00/79/531040079.db2.gz WEURVIUXJABIMF-UHFFFAOYSA-N -1 3 376.192 0.964 20 5 GCBDHM CS[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000270355061 531086667 /nfs/dbraw/zinc/08/66/67/531086667.db2.gz DLSUGBIVJJPBBH-UFBFGSQYSA-N -1 3 378.428 0.757 20 5 GCBDHM Nc1nc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)ncc1[N+](=O)[O-] ZINC000443875270 531095621 /nfs/dbraw/zinc/09/56/21/531095621.db2.gz DLLZWYBLJUYLIW-UHFFFAOYSA-N -1 3 378.823 0.494 20 5 GCBDHM Nc1nc(NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)ncc1[N+](=O)[O-] ZINC000509529395 531096001 /nfs/dbraw/zinc/09/60/01/531096001.db2.gz YMBMSALRGGUWBU-UHFFFAOYSA-N -1 3 390.784 0.572 20 5 GCBDHM COC(=O)[C@@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900608 598896145 /nfs/dbraw/zinc/89/61/45/598896145.db2.gz SWALJCVKTAQHBB-ZDUSSCGKSA-N -1 3 387.312 0.429 20 5 GCBDHM COC(=O)[C@@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900608 598896146 /nfs/dbraw/zinc/89/61/46/598896146.db2.gz SWALJCVKTAQHBB-ZDUSSCGKSA-N -1 3 387.312 0.429 20 5 GCBDHM O=c1n(CCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)nc2n1CCCC2 ZINC000738383569 598913622 /nfs/dbraw/zinc/91/36/22/598913622.db2.gz WKGRMIQTWQAMSO-UHFFFAOYSA-N -1 3 386.376 0.367 20 5 GCBDHM O=c1n(CCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)nc2n1CCCC2 ZINC000738383569 598913624 /nfs/dbraw/zinc/91/36/24/598913624.db2.gz WKGRMIQTWQAMSO-UHFFFAOYSA-N -1 3 386.376 0.367 20 5 GCBDHM NC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(-c2nnn[n-]2)cc1 ZINC000737741920 599110021 /nfs/dbraw/zinc/11/00/21/599110021.db2.gz QPIOUIUMQKGOJA-ZDUSSCGKSA-N -1 3 383.324 0.741 20 5 GCBDHM NC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(-c2nn[n-]n2)cc1 ZINC000737741920 599110023 /nfs/dbraw/zinc/11/00/23/599110023.db2.gz QPIOUIUMQKGOJA-ZDUSSCGKSA-N -1 3 383.324 0.741 20 5 GCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737486131 599125968 /nfs/dbraw/zinc/12/59/68/599125968.db2.gz AYGAGJKQBWJSFA-CYBMUJFWSA-N -1 3 386.328 0.050 20 5 GCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737486131 599125969 /nfs/dbraw/zinc/12/59/69/599125969.db2.gz AYGAGJKQBWJSFA-CYBMUJFWSA-N -1 3 386.328 0.050 20 5 GCBDHM Cc1c(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cccc1-c1nnn[n-]1 ZINC000822061533 607280036 /nfs/dbraw/zinc/28/00/36/607280036.db2.gz PJRYEYOOTWKXPE-UHFFFAOYSA-N -1 3 385.344 0.035 20 5 GCBDHM Cc1c(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cccc1-c1nn[n-]n1 ZINC000822061533 607280037 /nfs/dbraw/zinc/28/00/37/607280037.db2.gz PJRYEYOOTWKXPE-UHFFFAOYSA-N -1 3 385.344 0.035 20 5 GCBDHM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccncc1-c1nnn[n-]1 ZINC000737847346 599254263 /nfs/dbraw/zinc/25/42/63/599254263.db2.gz QFWGKFPCSPZPQJ-UHFFFAOYSA-N -1 3 382.340 0.350 20 5 GCBDHM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccncc1-c1nn[n-]n1 ZINC000737847346 599254265 /nfs/dbraw/zinc/25/42/65/599254265.db2.gz QFWGKFPCSPZPQJ-UHFFFAOYSA-N -1 3 382.340 0.350 20 5 GCBDHM CS(=O)(=O)c1ccc(C(=O)Nc2ccncc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737173251 599258062 /nfs/dbraw/zinc/25/80/62/599258062.db2.gz JKPGCFJQYZAAHT-UHFFFAOYSA-N -1 3 389.353 0.248 20 5 GCBDHM CS(=O)(=O)c1ccc(C(=O)Nc2ccncc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737173251 599258064 /nfs/dbraw/zinc/25/80/64/599258064.db2.gz JKPGCFJQYZAAHT-UHFFFAOYSA-N -1 3 389.353 0.248 20 5 GCBDHM COc1ccc(CC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1[N+](=O)[O-] ZINC000737087265 598294550 /nfs/dbraw/zinc/29/45/50/598294550.db2.gz MJOSNFVTXBIXLW-UHFFFAOYSA-N -1 3 388.344 0.348 20 5 GCBDHM COc1ccc(CC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1[N+](=O)[O-] ZINC000737087265 598294551 /nfs/dbraw/zinc/29/45/51/598294551.db2.gz MJOSNFVTXBIXLW-UHFFFAOYSA-N -1 3 388.344 0.348 20 5 GCBDHM Cn1cc([N+](=O)[O-])cc1C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737609473 598448679 /nfs/dbraw/zinc/44/86/79/598448679.db2.gz HYGNRCNFSRPZLE-UHFFFAOYSA-N -1 3 397.399 0.907 20 5 GCBDHM Cn1cc([N+](=O)[O-])cc1C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737609473 598448680 /nfs/dbraw/zinc/44/86/80/598448680.db2.gz HYGNRCNFSRPZLE-UHFFFAOYSA-N -1 3 397.399 0.907 20 5 GCBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738086430 598602201 /nfs/dbraw/zinc/60/22/01/598602201.db2.gz YRPTZKYHAAUAEV-UHFFFAOYSA-N -1 3 397.351 0.909 20 5 GCBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738086430 598602204 /nfs/dbraw/zinc/60/22/04/598602204.db2.gz YRPTZKYHAAUAEV-UHFFFAOYSA-N -1 3 397.351 0.909 20 5 GCBDHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000737771389 598606277 /nfs/dbraw/zinc/60/62/77/598606277.db2.gz QUHZQBWLTKSHAA-UHFFFAOYSA-N -1 3 383.328 0.892 20 5 GCBDHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000737771389 598606278 /nfs/dbraw/zinc/60/62/78/598606278.db2.gz QUHZQBWLTKSHAA-UHFFFAOYSA-N -1 3 383.328 0.892 20 5 GCBDHM COC(=O)[C@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000821657632 599523594 /nfs/dbraw/zinc/52/35/94/599523594.db2.gz RTNUPIDBRQTMFR-CYBMUJFWSA-N -1 3 385.340 0.701 20 5 GCBDHM COC(=O)[C@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000821657632 599523597 /nfs/dbraw/zinc/52/35/97/599523597.db2.gz RTNUPIDBRQTMFR-CYBMUJFWSA-N -1 3 385.340 0.701 20 5 GCBDHM CN(C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1)c1cccnn1 ZINC000821597697 607382303 /nfs/dbraw/zinc/38/23/03/607382303.db2.gz CZXQQVPTNZXTLE-CYBMUJFWSA-N -1 3 397.399 0.907 20 5 GCBDHM CN(C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1)c1cccnn1 ZINC000821597697 607382305 /nfs/dbraw/zinc/38/23/05/607382305.db2.gz CZXQQVPTNZXTLE-CYBMUJFWSA-N -1 3 397.399 0.907 20 5 GCBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)N1CCS(=O)CC1 ZINC000819984570 599568306 /nfs/dbraw/zinc/56/83/06/599568306.db2.gz YKTWYXMLEPIMME-UHFFFAOYSA-N -1 3 380.434 0.425 20 5 GCBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)N1CCS(=O)CC1 ZINC000819984570 599568309 /nfs/dbraw/zinc/56/83/09/599568309.db2.gz YKTWYXMLEPIMME-UHFFFAOYSA-N -1 3 380.434 0.425 20 5 GCBDHM O=C(COC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826415336 607391821 /nfs/dbraw/zinc/39/18/21/607391821.db2.gz ARTBWVRYVQTDMW-UHFFFAOYSA-N -1 3 399.323 0.119 20 5 GCBDHM O=C(COC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826415336 607391823 /nfs/dbraw/zinc/39/18/23/607391823.db2.gz ARTBWVRYVQTDMW-UHFFFAOYSA-N -1 3 399.323 0.119 20 5 GCBDHM O=C(NCCn1cc([N+](=O)[O-])cn1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826439805 607460838 /nfs/dbraw/zinc/46/08/38/607460838.db2.gz KVWFAUXCASWRED-UHFFFAOYSA-N -1 3 383.372 0.960 20 5 GCBDHM O=C(NCCn1cc([N+](=O)[O-])cn1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826439805 607460839 /nfs/dbraw/zinc/46/08/39/607460839.db2.gz KVWFAUXCASWRED-UHFFFAOYSA-N -1 3 383.372 0.960 20 5 GCBDHM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ncc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826409740 607466928 /nfs/dbraw/zinc/46/69/28/607466928.db2.gz NIBFUYPPORXSLE-UHFFFAOYSA-N -1 3 380.328 0.943 20 5 GCBDHM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ncc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826409740 607466929 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395.445 0.928 20 5 GCBDHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826473591 607742487 /nfs/dbraw/zinc/74/24/87/607742487.db2.gz FGHFNPSMMGCSIN-UHFFFAOYSA-N -1 3 396.367 0.701 20 5 GCBDHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826473591 607742488 /nfs/dbraw/zinc/74/24/88/607742488.db2.gz FGHFNPSMMGCSIN-UHFFFAOYSA-N -1 3 396.367 0.701 20 5 GCBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000822659830 606390826 /nfs/dbraw/zinc/39/08/26/606390826.db2.gz OWMNIHIUPRDGNP-UHFFFAOYSA-N -1 3 397.351 0.860 20 5 GCBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000822659830 606390829 /nfs/dbraw/zinc/39/08/29/606390829.db2.gz OWMNIHIUPRDGNP-UHFFFAOYSA-N -1 3 397.351 0.860 20 5 GCBDHM CN1C(=O)N[C@]2(CCC[C@@H]2CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1=O ZINC000821620360 606422081 /nfs/dbraw/zinc/42/20/81/606422081.db2.gz HHDAMJCNYTWWGK-ABKXIKBNSA-N -1 3 386.372 0.907 20 5 GCBDHM 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ZINC000826272483 607817193 /nfs/dbraw/zinc/81/71/93/607817193.db2.gz LRABAGLBTOBOJL-UHFFFAOYSA-N -1 3 390.381 0.719 20 5 GCBDHM Cc1cc([N+](=O)[O-])cn(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1=O ZINC000826272483 607817194 /nfs/dbraw/zinc/81/71/94/607817194.db2.gz LRABAGLBTOBOJL-UHFFFAOYSA-N -1 3 390.381 0.719 20 5 GCBDHM NC(=O)c1cc([N+](=O)[O-])cnc1N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826392690 608052580 /nfs/dbraw/zinc/05/25/80/608052580.db2.gz IZMIJMSRWXIKOY-CQSZACIVSA-N -1 3 396.367 0.847 20 5 GCBDHM NC(=O)c1cc([N+](=O)[O-])cnc1N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826392690 608052581 /nfs/dbraw/zinc/05/25/81/608052581.db2.gz IZMIJMSRWXIKOY-CQSZACIVSA-N -1 3 396.367 0.847 20 5 GCBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000826161395 608137850 /nfs/dbraw/zinc/13/78/50/608137850.db2.gz GJDNUYFKIACKGW-UHFFFAOYSA-N -1 3 388.344 0.635 20 5 GCBDHM O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000826425926 608164088 /nfs/dbraw/zinc/16/40/88/608164088.db2.gz ACMCOJGKHJGMHD-DGCLKSJQSA-N -1 3 390.381 0.661 20 5 GCBDHM O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000826425926 608164090 /nfs/dbraw/zinc/16/40/90/608164090.db2.gz ACMCOJGKHJGMHD-DGCLKSJQSA-N -1 3 390.381 0.661 20 5 GCBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826421853 608164134 /nfs/dbraw/zinc/16/41/34/608164134.db2.gz CAIWRPMQZKOWCE-RDJZCZTQSA-N -1 3 398.379 0.528 20 5 GCBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826421853 608164135 /nfs/dbraw/zinc/16/41/35/608164135.db2.gz CAIWRPMQZKOWCE-RDJZCZTQSA-N -1 3 398.379 0.528 20 5 GCBDHM Cn1cc([N+](=O)[O-])c(C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)n1 ZINC000826362740 608255574 /nfs/dbraw/zinc/25/55/74/608255574.db2.gz HEBJSIGJNNBSHX-UHFFFAOYSA-N -1 3 397.311 0.915 20 5 GCBDHM Cn1cc([N+](=O)[O-])c(C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)n1 ZINC000826362740 608255576 /nfs/dbraw/zinc/25/55/76/608255576.db2.gz HEBJSIGJNNBSHX-UHFFFAOYSA-N -1 3 397.311 0.915 20 5 GCBDHM Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000826362622 608278897 /nfs/dbraw/zinc/27/88/97/608278897.db2.gz BAOWMBBOMDLNLT-UHFFFAOYSA-N -1 3 383.372 0.471 20 5 GCBDHM Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000826362622 608278899 /nfs/dbraw/zinc/27/88/99/608278899.db2.gz BAOWMBBOMDLNLT-UHFFFAOYSA-N -1 3 383.372 0.471 20 5 GCBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000826172116 608349512 /nfs/dbraw/zinc/34/95/12/608349512.db2.gz NUMRXVMMRKBBQH-UHFFFAOYSA-N -1 3 386.324 0.689 20 5 GCBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000826172116 608349514 /nfs/dbraw/zinc/34/95/14/608349514.db2.gz NUMRXVMMRKBBQH-UHFFFAOYSA-N -1 3 386.324 0.689 20 5 GCBDHM COC(=O)[C@H](OC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826117372 608375755 /nfs/dbraw/zinc/37/57/55/608375755.db2.gz KKASOIVMDIQQIP-GFCCVEGCSA-N -1 3 387.312 0.580 20 5 GCBDHM COC(=O)[C@H](OC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826117372 608375757 /nfs/dbraw/zinc/37/57/57/608375757.db2.gz KKASOIVMDIQQIP-GFCCVEGCSA-N -1 3 387.312 0.580 20 5 GCBDHM C[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)S(N)(=O)=O ZINC000824427120 609163967 /nfs/dbraw/zinc/16/39/67/609163967.db2.gz LTMMWSQEIBSQCC-ZETCQYMHSA-N -1 3 378.374 0.412 20 5 GCBDHM C[C@@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)S(N)(=O)=O ZINC000824427120 609163968 /nfs/dbraw/zinc/16/39/68/609163968.db2.gz LTMMWSQEIBSQCC-ZETCQYMHSA-N -1 3 378.374 0.412 20 5 GCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826424687 609289445 /nfs/dbraw/zinc/28/94/45/609289445.db2.gz YMOOCGLNERHYPS-UHFFFAOYSA-N -1 3 398.318 0.935 20 5 GCBDHM O=[N+]([O-])c1cnc(N2CC(S(=O)(=O)NC3CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000826500986 609386495 /nfs/dbraw/zinc/38/64/95/609386495.db2.gz UUHQTXDBHIWCRH-UHFFFAOYSA-N -1 3 394.417 0.221 20 5 GCBDHM O=[N+]([O-])c1cnc(N2CC(S(=O)(=O)NC3CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000826500986 609386497 /nfs/dbraw/zinc/38/64/97/609386497.db2.gz UUHQTXDBHIWCRH-UHFFFAOYSA-N -1 3 394.417 0.221 20 5 GCBDHM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCc1nnc[nH]1 ZINC000096767311 642065138 /nfs/dbraw/zinc/06/51/38/642065138.db2.gz MECQXZPEVAIPRG-UHFFFAOYSA-N -1 3 376.192 0.996 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)N2CCc3nc[n-]c(=O)c3C2)cc1[N+](=O)[O-] ZINC000275032435 1184467884 /nfs/dbraw/zinc/46/78/84/1184467884.db2.gz AJFGTAIIOBMRKJ-UHFFFAOYSA-N -1 3 384.345 0.985 20 5 GCBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)N1c1cnn(C)c1 ZINC000610269988 1184714467 /nfs/dbraw/zinc/71/44/67/1184714467.db2.gz YLNLHONNBXIZKZ-TVQRCGJNSA-N -1 3 397.388 0.940 20 5 GCBDHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000582152418 1186442687 /nfs/dbraw/zinc/44/26/87/1186442687.db2.gz UEEXLOAECJXUJS-UHFFFAOYSA-N -1 3 398.397 0.673 20 5 GCBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H](O)Cn1ccnn1 ZINC000416545274 1189545783 /nfs/dbraw/zinc/54/57/83/1189545783.db2.gz HTCPKMNNCVOAFE-VIFPVBQESA-N -1 3 395.319 0.545 20 5 GCBDHM COc1ccc(C(=O)NCC(=O)NCc2cnc(C)[n-]c2=O)cc1[N+](=O)[O-] ZINC000542386926 1193787405 /nfs/dbraw/zinc/78/74/05/1193787405.db2.gz TVWCKLNZBCBUQR-UHFFFAOYSA-N -1 3 375.341 0.454 20 5 GCBDHM CN(C)S(=O)(=O)c1ccc(N2CCc3nc[n-]c(=O)c3C2)c([N+](=O)[O-])c1 ZINC000433819590 1193950474 /nfs/dbraw/zinc/95/04/74/1193950474.db2.gz JXIPXMMXMHWYSE-UHFFFAOYSA-N -1 3 379.398 0.903 20 5 GCBDHM O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(O)cc1[O-] ZINC000436571394 1195016778 /nfs/dbraw/zinc/01/67/78/1195016778.db2.gz VQGBGPMCENNHCB-UHFFFAOYSA-N -1 3 381.366 0.714 20 5 GCBDHM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000536326982 1195731461 /nfs/dbraw/zinc/73/14/61/1195731461.db2.gz AXIHPXAWFGZYRX-CABCVRRESA-N -1 3 392.437 0.904 20 5 GCBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1nnnn1C ZINC001213953161 1197495195 /nfs/dbraw/zinc/49/51/95/1197495195.db2.gz VQSFEMKLMGOMBO-LURJTMIESA-N -1 3 391.207 0.920 20 5 GCBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1nnnn1C ZINC001213953162 1197495248 /nfs/dbraw/zinc/49/52/48/1197495248.db2.gz VQSFEMKLMGOMBO-ZCFIWIBFSA-N -1 3 391.207 0.920 20 5 GCBDHM COCCn1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)cn1 ZINC000282445586 1199948116 /nfs/dbraw/zinc/94/81/16/1199948116.db2.gz VFXANEXGBNNKDE-UHFFFAOYSA-N -1 3 398.397 0.703 20 5 GCBDHM O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000768585787 1202024445 /nfs/dbraw/zinc/02/44/45/1202024445.db2.gz IGLIYLTYHHUFGA-UHFFFAOYSA-N -1 3 397.388 0.801 20 5 GCBDHM Cn1ncc2c1nc(N[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[nH]c2=O ZINC000769831078 1202074998 /nfs/dbraw/zinc/07/49/98/1202074998.db2.gz CCRFWHVBZQKQHY-UHFFFAOYSA-N -1 3 399.776 0.936 20 5 GCBDHM C[C@@H](OC(=O)c1cc([N+](=O)[O-])cnc1N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824721626 946911997 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O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNS(=O)(=O)c1ccsc1 ZINC000509406526 530131835 /nfs/dbraw/zinc/13/18/35/530131835.db2.gz XHDZEGGVAWZJBX-UHFFFAOYSA-N -1 3 391.452 0.913 20 5 GCBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(S(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000509803709 530135249 /nfs/dbraw/zinc/13/52/49/530135249.db2.gz KOHIASOIJPMNPN-NSHDSACASA-N -1 3 377.444 0.606 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1nc(CO)cs1 ZINC000509798233 530135311 /nfs/dbraw/zinc/13/53/11/530135311.db2.gz IJNOSCZIXAIGOJ-UHFFFAOYSA-N -1 3 387.395 0.809 20 5 GCBDHM O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NCc1nccs1 ZINC000609744896 530141136 /nfs/dbraw/zinc/14/11/36/530141136.db2.gz PXPADXIJAGFSDB-UHFFFAOYSA-N -1 3 385.427 0.829 20 5 GCBDHM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000599476164 530164085 /nfs/dbraw/zinc/16/40/85/530164085.db2.gz KYTLCLJIBLDPIA-UHFFFAOYSA-N -1 3 393.805 0.596 20 5 GCBDHM CN1C(=O)C[C@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1=O ZINC000287138531 530223047 /nfs/dbraw/zinc/22/30/47/530223047.db2.gz BGMXYUYNVWDOOI-VIFPVBQESA-N -1 3 392.187 0.393 20 5 GCBDHM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1=O ZINC000178346920 530233064 /nfs/dbraw/zinc/23/30/64/530233064.db2.gz DGVHBDBALOOLKA-VIFPVBQESA-N -1 3 378.204 0.866 20 5 GCBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCN(S(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000513110460 530251969 /nfs/dbraw/zinc/25/19/69/530251969.db2.gz OYVKOORYQVXHKI-LLVKDONJSA-N -1 3 377.444 0.463 20 5 GCBDHM COCC[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(N)=O ZINC000539384146 530252246 /nfs/dbraw/zinc/25/22/46/530252246.db2.gz FGZVQHBWTLNHJO-JTQLQIEISA-N -1 3 396.219 0.526 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2nc(N(C)C)no2)cc1[N+](=O)[O-] ZINC000433887427 530246644 /nfs/dbraw/zinc/24/66/44/530246644.db2.gz ZCKYCFNDDAMFCO-UHFFFAOYSA-N -1 3 375.338 0.670 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000286817879 530220152 /nfs/dbraw/zinc/22/01/52/530220152.db2.gz 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COC[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)OC ZINC000479990456 530265036 /nfs/dbraw/zinc/26/50/36/530265036.db2.gz UHTNDLNZQXXFNQ-JTQLQIEISA-N -1 3 397.203 0.824 20 5 GCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(O)CCS(=O)(=O)CC2)c1C ZINC000581206172 530325375 /nfs/dbraw/zinc/32/53/75/530325375.db2.gz VXBBQNLGKHSSCJ-UHFFFAOYSA-N -1 3 392.455 0.430 20 5 GCBDHM NC(=O)[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCOC1 ZINC000581498817 530325533 /nfs/dbraw/zinc/32/55/33/530325533.db2.gz KSVGTUGSJSIDEA-NSHDSACASA-N -1 3 383.304 0.536 20 5 GCBDHM NC(=O)[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCOC1 ZINC000581498816 530325648 /nfs/dbraw/zinc/32/56/48/530325648.db2.gz KSVGTUGSJSIDEA-LLVKDONJSA-N -1 3 383.304 0.536 20 5 GCBDHM NC(=O)[C@H]1CCCN1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000264608763 530373135 /nfs/dbraw/zinc/37/31/35/530373135.db2.gz OXFHQQBSVKWZKQ-GFCCVEGCSA-N -1 3 390.849 0.866 20 5 GCBDHM CS(=O)(=O)CCOCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 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377.444 0.734 20 5 GCBDHM NC(=O)NC(=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447025371 530907848 /nfs/dbraw/zinc/90/78/48/530907848.db2.gz CGZZYTFEGZZRAX-UHFFFAOYSA-N -1 3 395.191 0.221 20 5 GCBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C[C@H]1CCCS1(=O)=O ZINC000594763796 530880244 /nfs/dbraw/zinc/88/02/44/530880244.db2.gz AZYTXGHOEYMLLF-SNVBAGLBSA-N -1 3 385.423 0.999 20 5 GCBDHM CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000594826863 530886180 /nfs/dbraw/zinc/88/61/80/530886180.db2.gz PKEOIRDHODESJD-CMPLNLGQSA-N -1 3 378.428 0.302 20 5 GCBDHM C[C@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CN1CCOCC1 ZINC000443256947 530894335 /nfs/dbraw/zinc/89/43/35/530894335.db2.gz ZNODAZSNEUUGAM-AWEZNQCLSA-N -1 3 393.849 0.610 20 5 GCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNS(=O)(=O)CCC1CC1 ZINC000271251397 530894831 /nfs/dbraw/zinc/89/48/31/530894831.db2.gz HWGNEOQXMWQUAJ-UHFFFAOYSA-N -1 3 377.444 0.593 20 5 GCBDHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1c[nH]nc1[N+](=O)[O-] ZINC000549775431 530930219 /nfs/dbraw/zinc/93/02/19/530930219.db2.gz AOOOICKQSDJSIH-UHFFFAOYSA-N -1 3 375.313 0.304 20 5 GCBDHM CCOC(=O)c1cc(S(=O)(=O)[N-]CC(F)(F)CO)cc([N+](=O)[O-])c1C ZINC000466571597 530913012 /nfs/dbraw/zinc/91/30/12/530913012.db2.gz DUHYCRMLRQIADV-UHFFFAOYSA-N -1 3 382.341 0.986 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000467046895 530913655 /nfs/dbraw/zinc/91/36/55/530913655.db2.gz PFGUBNFSKPCQEU-ZJUUUORDSA-N -1 3 397.500 0.961 20 5 GCBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)N1CCOCC1 ZINC000467072676 530914512 /nfs/dbraw/zinc/91/45/12/530914512.db2.gz CKHPOLPIUSPPRX-JTQLQIEISA-N -1 3 377.444 0.880 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCC[C@]23NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000467081593 530914684 /nfs/dbraw/zinc/91/46/84/530914684.db2.gz AWKTYROYTAMDDK-SDBXPKJASA-N -1 3 388.427 0.621 20 5 GCBDHM CCN(CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)S(C)(=O)=O ZINC000467410437 530915596 /nfs/dbraw/zinc/91/55/96/530915596.db2.gz HHHBWHBDJHSHCT-UHFFFAOYSA-N -1 3 385.489 0.915 20 5 GCBDHM CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000493880896 530934424 /nfs/dbraw/zinc/93/44/24/530934424.db2.gz BNZSIWXKRMAIEU-CYBMUJFWSA-N -1 3 380.350 0.335 20 5 GCBDHM O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000332568233 530920957 /nfs/dbraw/zinc/92/09/57/530920957.db2.gz CFEUXSGHYYGHAQ-JTQLQIEISA-N -1 3 383.158 0.734 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H](CO)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280949645 530921204 /nfs/dbraw/zinc/92/12/04/530921204.db2.gz KAGZVKXFKHRHHI-VHSXEESVSA-N -1 3 378.378 0.666 20 5 GCBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CCSCCCO)OCCO2 ZINC000269772899 530925728 /nfs/dbraw/zinc/92/57/28/530925728.db2.gz IEEOVLDORVYNIG-UHFFFAOYSA-N -1 3 378.428 0.760 20 5 GCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCS(=O)(=O)NC(C)C ZINC000299405611 530927695 /nfs/dbraw/zinc/92/76/95/530927695.db2.gz NEXFGVYQBZFZBP-UHFFFAOYSA-N -1 3 381.432 0.210 20 5 GCBDHM CNS(=O)(=O)c1cccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000030370183 530935762 /nfs/dbraw/zinc/93/57/62/530935762.db2.gz MSRVHRBAPGKUAF-UHFFFAOYSA-N -1 3 385.423 0.981 20 5 GCBDHM Cc1nnc(CC(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000597263398 530953554 /nfs/dbraw/zinc/95/35/54/530953554.db2.gz YPOLIWBBGOWVRU-UHFFFAOYSA-N -1 3 385.427 0.392 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]CCN2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000444069029 530965943 /nfs/dbraw/zinc/96/59/43/530965943.db2.gz DLJXZWBIMBHHFW-JTQLQIEISA-N -1 3 377.394 0.742 20 5 GCBDHM COC[C@](C)([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(=O)OC ZINC000275028642 530996018 /nfs/dbraw/zinc/99/60/18/530996018.db2.gz BXEGVFBQRRZXCS-ZDUSSCGKSA-N -1 3 380.350 0.599 20 5 GCBDHM O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000547754508 530987662 /nfs/dbraw/zinc/98/76/62/530987662.db2.gz YBUAQFHKAXLJQD-UHFFFAOYSA-N -1 3 385.427 0.963 20 5 GCBDHM CS(=O)(=O)N1CCC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000299622321 531026931 /nfs/dbraw/zinc/02/69/31/531026931.db2.gz LOISMAYVGNRYIZ-UHFFFAOYSA-N -1 3 395.434 0.684 20 5 GCBDHM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416453480 531031125 /nfs/dbraw/zinc/03/11/25/531031125.db2.gz QUVIKFXJTFUSGH-MRVPVSSYSA-N -1 3 386.304 0.816 20 5 GCBDHM O=C(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCOCC1 ZINC000056012962 531001641 /nfs/dbraw/zinc/00/16/41/531001641.db2.gz AYUQAXJVPXPXQS-UHFFFAOYSA-N -1 3 377.806 0.775 20 5 GCBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCN1CCCS1(=O)=O ZINC000060924943 531102483 /nfs/dbraw/zinc/10/24/83/531102483.db2.gz WMKBGPIFGRVBKA-UHFFFAOYSA-N -1 3 383.835 0.562 20 5 GCBDHM NC(=O)[C@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736312 599111707 /nfs/dbraw/zinc/11/17/07/599111707.db2.gz HPTGFDOEEGIJOQ-OAHLLOKOSA-N -1 3 398.335 0.924 20 5 GCBDHM NC(=O)[C@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736312 599111708 /nfs/dbraw/zinc/11/17/08/599111708.db2.gz HPTGFDOEEGIJOQ-OAHLLOKOSA-N -1 3 398.335 0.924 20 5 GCBDHM NC(=O)[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738732 599121579 /nfs/dbraw/zinc/12/15/79/599121579.db2.gz WMXXIAQHOOKEIG-OAHLLOKOSA-N -1 3 398.335 0.924 20 5 GCBDHM NC(=O)[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738732 599121581 /nfs/dbraw/zinc/12/15/81/599121581.db2.gz WMXXIAQHOOKEIG-OAHLLOKOSA-N -1 3 398.335 0.924 20 5 GCBDHM COc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000737033511 599123754 /nfs/dbraw/zinc/12/37/54/599123754.db2.gz YGKMMKQTBYEILF-UHFFFAOYSA-N -1 3 378.326 0.946 20 5 GCBDHM COc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000737033511 599123755 /nfs/dbraw/zinc/12/37/55/599123755.db2.gz YGKMMKQTBYEILF-UHFFFAOYSA-N -1 3 378.326 0.946 20 5 GCBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCS(=O)(=O)C3)cc(-c3nnn[n-]3)c2c1 ZINC000738367218 599258700 /nfs/dbraw/zinc/25/87/00/599258700.db2.gz NWGCOCXRHGSGQQ-MRVPVSSYSA-N -1 3 375.370 0.922 20 5 GCBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCS(=O)(=O)C3)cc(-c3nn[n-]n3)c2c1 ZINC000738367218 599258703 /nfs/dbraw/zinc/25/87/03/599258703.db2.gz NWGCOCXRHGSGQQ-MRVPVSSYSA-N -1 3 375.370 0.922 20 5 GCBDHM O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823139938 607297443 /nfs/dbraw/zinc/29/74/43/607297443.db2.gz OAHMSBBVJIYCQE-GJZGRUSLSA-N -1 3 384.352 0.599 20 5 GCBDHM O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823139938 607297444 /nfs/dbraw/zinc/29/74/44/607297444.db2.gz OAHMSBBVJIYCQE-GJZGRUSLSA-N -1 3 384.352 0.599 20 5 GCBDHM Nc1nc(N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)ncc1[N+](=O)[O-] ZINC000737776097 598245946 /nfs/dbraw/zinc/24/59/46/598245946.db2.gz IBJMTTWOUXYNGW-UHFFFAOYSA-N -1 3 386.351 0.613 20 5 GCBDHM CC(C)c1n[nH]c(C(=O)NCCNc2ncccc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820183474 607350121 /nfs/dbraw/zinc/35/01/21/607350121.db2.gz DWMOPXCVHHLSCD-UHFFFAOYSA-N -1 3 386.376 0.858 20 5 GCBDHM CC(C)c1n[nH]c(C(=O)NCCNc2ncccc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820183474 607350123 /nfs/dbraw/zinc/35/01/23/607350123.db2.gz DWMOPXCVHHLSCD-UHFFFAOYSA-N -1 3 386.376 0.858 20 5 GCBDHM O=[N+]([O-])c1cnc(Nc2cnn(CCN3CCOCC3)c2)c(-c2nnn[n-]2)c1 ZINC000738373672 598503103 /nfs/dbraw/zinc/50/31/03/598503103.db2.gz FNKDIEBMSRKJQI-UHFFFAOYSA-N -1 3 386.376 0.442 20 5 GCBDHM O=[N+]([O-])c1cnc(Nc2cnn(CCN3CCOCC3)c2)c(-c2nn[n-]n2)c1 ZINC000738373672 598503104 /nfs/dbraw/zinc/50/31/04/598503104.db2.gz FNKDIEBMSRKJQI-UHFFFAOYSA-N -1 3 386.376 0.442 20 5 GCBDHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000737771793 598603171 /nfs/dbraw/zinc/60/31/71/598603171.db2.gz VRXNQNGJKPNSIY-UHFFFAOYSA-N -1 3 398.343 0.147 20 5 GCBDHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000737771793 598603173 /nfs/dbraw/zinc/60/31/73/598603173.db2.gz VRXNQNGJKPNSIY-UHFFFAOYSA-N -1 3 398.343 0.147 20 5 GCBDHM CCCc1n[nH]c(C(=O)NCCNc2ncccc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000736498674 598612437 /nfs/dbraw/zinc/61/24/37/598612437.db2.gz WWZOXDFMUNQHKT-UHFFFAOYSA-N -1 3 386.376 0.687 20 5 GCBDHM CCCc1n[nH]c(C(=O)NCCNc2ncccc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000736498674 598612439 /nfs/dbraw/zinc/61/24/39/598612439.db2.gz WWZOXDFMUNQHKT-UHFFFAOYSA-N -1 3 386.376 0.687 20 5 GCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737987103 598809216 /nfs/dbraw/zinc/80/92/16/598809216.db2.gz RFYXGKPHVADFME-UHFFFAOYSA-N -1 3 380.328 0.796 20 5 GCBDHM O=c1cc(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)[nH]c2c(-c3nnn[n-]3)cnn21 ZINC000738372978 599457153 /nfs/dbraw/zinc/45/71/53/599457153.db2.gz YOMYKCHDBHJYRL-UHFFFAOYSA-N -1 3 389.719 0.387 20 5 GCBDHM CN(CCS(C)(=O)=O)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821605216 599520558 /nfs/dbraw/zinc/52/05/58/599520558.db2.gz ZOUIVENLEKDBSB-UHFFFAOYSA-N -1 3 377.386 0.804 20 5 GCBDHM CN(CCS(C)(=O)=O)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821605216 599520559 /nfs/dbraw/zinc/52/05/59/599520559.db2.gz ZOUIVENLEKDBSB-UHFFFAOYSA-N -1 3 377.386 0.804 20 5 GCBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000826184275 607390655 /nfs/dbraw/zinc/39/06/55/607390655.db2.gz QYZCGVPICFWNSV-UHFFFAOYSA-N -1 3 386.324 0.689 20 5 GCBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000826184275 607390657 /nfs/dbraw/zinc/39/06/57/607390657.db2.gz QYZCGVPICFWNSV-UHFFFAOYSA-N -1 3 386.324 0.689 20 5 GCBDHM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826424688 607391985 /nfs/dbraw/zinc/39/19/85/607391985.db2.gz YNAIVTUVGPKRER-UHFFFAOYSA-N -1 3 386.324 0.559 20 5 GCBDHM O=C([O-])c1cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000738668704 599952101 /nfs/dbraw/zinc/95/21/01/599952101.db2.gz FFTAGUSPAITUNT-UHFFFAOYSA-N -1 3 390.396 0.673 20 5 GCBDHM CCn1cc(S(=O)(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])n1 ZINC000821566700 607441088 /nfs/dbraw/zinc/44/10/88/607441088.db2.gz QBSRBWYSRBQOSI-UHFFFAOYSA-N -1 3 378.374 0.816 20 5 GCBDHM CCn1cc(S(=O)(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])n1 ZINC000821566700 607441089 /nfs/dbraw/zinc/44/10/89/607441089.db2.gz QBSRBWYSRBQOSI-UHFFFAOYSA-N -1 3 378.374 0.816 20 5 GCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCNS(=O)(=O)c1cccnc1 ZINC000823629810 607468207 /nfs/dbraw/zinc/46/82/07/607468207.db2.gz IACVJFQBOJSNRU-UHFFFAOYSA-N -1 3 390.385 0.560 20 5 GCBDHM COC[C@](C)(CC(=O)[O-])NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000831573306 601488582 /nfs/dbraw/zinc/48/85/82/601488582.db2.gz NCEJVDVUBSJOEB-SFHVURJKSA-N -1 3 394.428 0.713 20 5 GCBDHM O=C([O-])[C@@]1(NC(=O)Cn2cnc([N+](=O)[O-])n2)CCCN(Cc2ccccc2)C1 ZINC000833122644 601741064 /nfs/dbraw/zinc/74/10/64/601741064.db2.gz QYKJLCFLDUCUCJ-QGZVFWFLSA-N -1 3 388.384 0.422 20 5 GCBDHM Cc1nccn1CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826331343 607592493 /nfs/dbraw/zinc/59/24/93/607592493.db2.gz DLQNZCYCRRECFE-UHFFFAOYSA-N -1 3 392.401 0.648 20 5 GCBDHM Cc1nccn1CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826331343 607592494 /nfs/dbraw/zinc/59/24/94/607592494.db2.gz DLQNZCYCRRECFE-UHFFFAOYSA-N -1 3 392.401 0.648 20 5 GCBDHM C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)N(C)C1CC1 ZINC000824429832 607606805 /nfs/dbraw/zinc/60/68/05/607606805.db2.gz ZEXCUSCQJORZOB-VIFPVBQESA-N -1 3 381.418 0.536 20 5 GCBDHM C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCN1C ZINC000824886408 607645101 /nfs/dbraw/zinc/64/51/01/607645101.db2.gz YMMDJWCULYBFGU-QWRGUYRKSA-N -1 3 395.445 0.878 20 5 GCBDHM CCN1C[C@@H](C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1 ZINC000825443512 607654151 /nfs/dbraw/zinc/65/41/51/607654151.db2.gz CWOHBCNDESZHCS-NXEZZACHSA-N -1 3 381.418 0.393 20 5 GCBDHM O=C([O-])C1(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCS(=O)(=O)CC1 ZINC000833109936 604438583 /nfs/dbraw/zinc/43/85/83/604438583.db2.gz DMXUAPDHMFUGNP-UHFFFAOYSA-N -1 3 397.409 0.106 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)NCCNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000823644098 606057277 /nfs/dbraw/zinc/05/72/77/606057277.db2.gz FQQNZEXDSCNRQE-UHFFFAOYSA-N -1 3 390.385 0.560 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)NCCNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000823644098 606057283 /nfs/dbraw/zinc/05/72/83/606057283.db2.gz FQQNZEXDSCNRQE-UHFFFAOYSA-N -1 3 390.385 0.560 20 5 GCBDHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000823488251 606279776 /nfs/dbraw/zinc/27/97/76/606279776.db2.gz KPYOBBZWETZFRW-UHFFFAOYSA-N -1 3 396.367 0.701 20 5 GCBDHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000823488251 606279777 /nfs/dbraw/zinc/27/97/77/606279777.db2.gz KPYOBBZWETZFRW-UHFFFAOYSA-N -1 3 396.367 0.701 20 5 GCBDHM C[C@@]1(C2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)NC(=O)NC1=O ZINC000820613127 606301489 /nfs/dbraw/zinc/30/14/89/606301489.db2.gz TZQOPQZJOIKZDP-INIZCTEOSA-N -1 3 386.372 0.589 20 5 GCBDHM 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IDDFTKNXYHYHFV-MWLCHTKSSA-N -1 3 377.444 0.102 20 5 GCBDHM O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000332568238 530921324 /nfs/dbraw/zinc/92/13/24/530921324.db2.gz CFEUXSGHYYGHAQ-SNVBAGLBSA-N -1 3 383.158 0.734 20 5 GCBDHM CS[C@@H](CO)[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000281160885 530921507 /nfs/dbraw/zinc/92/15/07/530921507.db2.gz IDDFTKNXYHYHFV-KOLCDFICSA-N -1 3 377.444 0.102 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H](CO)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280949638 530921511 /nfs/dbraw/zinc/92/15/11/530921511.db2.gz KAGZVKXFKHRHHI-NXEZZACHSA-N -1 3 378.378 0.666 20 5 GCBDHM Cc1ccc(S(=O)(=O)[N-]C2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000507542256 530941130 /nfs/dbraw/zinc/94/11/30/530941130.db2.gz AXJQITWEIDWJQY-UHFFFAOYSA-N -1 3 377.444 0.606 20 5 GCBDHM Cc1ccc(S(=O)(=O)[N-]CC2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000508010990 530941982 /nfs/dbraw/zinc/94/19/82/530941982.db2.gz ZQUPDPJTSRHIMD-UHFFFAOYSA-N -1 3 391.471 0.853 20 5 GCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CS(=O)(=O)CCO2)c1C ZINC000507889462 530942031 /nfs/dbraw/zinc/94/20/31/530942031.db2.gz OXCYZDCBWCKBQP-LLVKDONJSA-N -1 3 378.428 0.304 20 5 GCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCN2S(C)(=O)=O)c1C ZINC000269866503 530950852 /nfs/dbraw/zinc/95/08/52/530950852.db2.gz KXDZMCSPHLHPLH-GFCCVEGCSA-N -1 3 391.471 0.914 20 5 GCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000269902756 530987641 /nfs/dbraw/zinc/98/76/41/530987641.db2.gz ZQIPPOFBISARGB-LLVKDONJSA-N -1 3 377.444 0.463 20 5 GCBDHM CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000270182320 531022296 /nfs/dbraw/zinc/02/22/96/531022296.db2.gz JRALZFHHIFOGNN-SECBINFHSA-N -1 3 394.427 0.468 20 5 GCBDHM NC(=O)NC(=O)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416429037 531023713 /nfs/dbraw/zinc/02/37/13/531023713.db2.gz WWZOMZFCLZKQRB-UHFFFAOYSA-N -1 3 384.292 0.477 20 5 GCBDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])s1 ZINC000561091587 531063348 /nfs/dbraw/zinc/06/33/48/531063348.db2.gz KGCFNYKAYBZCRG-UHFFFAOYSA-N -1 3 385.427 0.931 20 5 GCBDHM CN1C(=O)C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000416481764 531037565 /nfs/dbraw/zinc/03/75/65/531037565.db2.gz VYMCRVCJRMGNBP-SSDOTTSWSA-N -1 3 381.288 0.649 20 5 GCBDHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000487406236 531042633 /nfs/dbraw/zinc/04/26/33/531042633.db2.gz XZEHGBUKDVYMQB-JGVFFNPUSA-N -1 3 393.443 0.699 20 5 GCBDHM NC(=O)[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736310 599112033 /nfs/dbraw/zinc/11/20/33/599112033.db2.gz HPTGFDOEEGIJOQ-HNNXBMFYSA-N -1 3 398.335 0.924 20 5 GCBDHM NC(=O)[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736310 599112035 /nfs/dbraw/zinc/11/20/35/599112035.db2.gz HPTGFDOEEGIJOQ-HNNXBMFYSA-N -1 3 398.335 0.924 20 5 GCBDHM NC(=O)[C@H](OC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000737737489 599124075 /nfs/dbraw/zinc/12/40/75/599124075.db2.gz RSJGZQADYYTAFO-OAHLLOKOSA-N -1 3 397.351 0.957 20 5 GCBDHM NC(=O)[C@H](OC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000737737489 599124077 /nfs/dbraw/zinc/12/40/77/599124077.db2.gz RSJGZQADYYTAFO-OAHLLOKOSA-N -1 3 397.351 0.957 20 5 GCBDHM Cc1nc(NC(=O)c2cc([N+](=O)[O-])cn2C)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737482508 599201403 /nfs/dbraw/zinc/20/14/03/599201403.db2.gz MVZXHXZOABYFMN-UHFFFAOYSA-N -1 3 394.355 0.677 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737986117 599221305 /nfs/dbraw/zinc/22/13/05/599221305.db2.gz CAWYQOCBKAFMKY-UHFFFAOYSA-N -1 3 385.340 0.132 20 5 GCBDHM O=C(Cn1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1)N1CCOCC1 ZINC000737987297 599232434 /nfs/dbraw/zinc/23/24/34/599232434.db2.gz UJERNWCWBMXIRM-UHFFFAOYSA-N -1 3 399.371 0.574 20 5 GCBDHM O=C(Cn1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1)N1CCOCC1 ZINC000737987297 599232436 /nfs/dbraw/zinc/23/24/36/599232436.db2.gz UJERNWCWBMXIRM-UHFFFAOYSA-N -1 3 399.371 0.574 20 5 GCBDHM NC(=O)CSc1nnc(Sc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC000822873828 599250731 /nfs/dbraw/zinc/25/07/31/599250731.db2.gz LTBHLIYYNCDPTJ-UHFFFAOYSA-N -1 3 397.427 0.750 20 5 GCBDHM O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823139939 607297614 /nfs/dbraw/zinc/29/76/14/607297614.db2.gz OAHMSBBVJIYCQE-HUUCEWRRSA-N -1 3 384.352 0.599 20 5 GCBDHM O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823139939 607297615 /nfs/dbraw/zinc/29/76/15/607297615.db2.gz OAHMSBBVJIYCQE-HUUCEWRRSA-N -1 3 384.352 0.599 20 5 GCBDHM O=c1n(CCCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)nc2n1CCCC2 ZINC000823665726 607347500 /nfs/dbraw/zinc/34/75/00/607347500.db2.gz SZCQHEXFGPHVAA-UHFFFAOYSA-N -1 3 385.388 0.972 20 5 GCBDHM CC(C)(C(=O)NCCNc1ncccc1-c1nnn[n-]1)n1cc([N+](=O)[O-])cn1 ZINC000735573621 598331090 /nfs/dbraw/zinc/33/10/90/598331090.db2.gz AXYAKODTTUBFSB-UHFFFAOYSA-N -1 3 386.376 0.330 20 5 GCBDHM CC(C)(C(=O)NCCNc1ncccc1-c1nn[n-]n1)n1cc([N+](=O)[O-])cn1 ZINC000735573621 598331092 /nfs/dbraw/zinc/33/10/92/598331092.db2.gz AXYAKODTTUBFSB-UHFFFAOYSA-N -1 3 386.376 0.330 20 5 GCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCS(=O)(=O)N1CCSCC1 ZINC000738357945 598426599 /nfs/dbraw/zinc/42/65/99/598426599.db2.gz JBACFJGKIOKNPV-UHFFFAOYSA-N -1 3 399.458 0.565 20 5 GCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCS(=O)(=O)N1CCSCC1 ZINC000738357945 598426601 /nfs/dbraw/zinc/42/66/01/598426601.db2.gz JBACFJGKIOKNPV-UHFFFAOYSA-N -1 3 399.458 0.565 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737987119 598450900 /nfs/dbraw/zinc/45/09/00/598450900.db2.gz RTSMTESXCYLGOI-UHFFFAOYSA-N -1 3 398.387 0.152 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737987119 598450902 /nfs/dbraw/zinc/45/09/02/598450902.db2.gz RTSMTESXCYLGOI-UHFFFAOYSA-N -1 3 398.387 0.152 20 5 GCBDHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000738220211 598481561 /nfs/dbraw/zinc/48/15/61/598481561.db2.gz QGHTVXXTSFRORO-UHFFFAOYSA-N -1 3 395.335 0.916 20 5 GCBDHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000738220211 598481562 /nfs/dbraw/zinc/48/15/62/598481562.db2.gz QGHTVXXTSFRORO-UHFFFAOYSA-N -1 3 395.335 0.916 20 5 GCBDHM CC(C)(C(=O)OCCNc1ncccc1-c1nnn[n-]1)n1cc([N+](=O)[O-])cn1 ZINC000735581801 598512212 /nfs/dbraw/zinc/51/22/12/598512212.db2.gz DBSHYCSYADXSIV-UHFFFAOYSA-N -1 3 387.360 0.757 20 5 GCBDHM CC(C)(C(=O)OCCNc1ncccc1-c1nn[n-]n1)n1cc([N+](=O)[O-])cn1 ZINC000735581801 598512214 /nfs/dbraw/zinc/51/22/14/598512214.db2.gz DBSHYCSYADXSIV-UHFFFAOYSA-N -1 3 387.360 0.757 20 5 GCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737989490 598545791 /nfs/dbraw/zinc/54/57/91/598545791.db2.gz ZMRZJWCRKXIFIC-UHFFFAOYSA-N -1 3 381.259 0.607 20 5 GCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737989490 598545793 /nfs/dbraw/zinc/54/57/93/598545793.db2.gz ZMRZJWCRKXIFIC-UHFFFAOYSA-N -1 3 381.259 0.607 20 5 GCBDHM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000737863049 598617087 /nfs/dbraw/zinc/61/70/87/598617087.db2.gz RLEXEAXYHQGTPY-UHFFFAOYSA-N -1 3 376.362 0.302 20 5 GCBDHM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000737863049 598617090 /nfs/dbraw/zinc/61/70/90/598617090.db2.gz RLEXEAXYHQGTPY-UHFFFAOYSA-N -1 3 376.362 0.302 20 5 GCBDHM CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc([N+](=O)[O-])c1 ZINC000737174102 598806013 /nfs/dbraw/zinc/80/60/13/598806013.db2.gz REIQJTOVBKXNNS-UHFFFAOYSA-N -1 3 389.353 0.826 20 5 GCBDHM CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc([N+](=O)[O-])c1 ZINC000737174102 598806015 /nfs/dbraw/zinc/80/60/15/598806015.db2.gz REIQJTOVBKXNNS-UHFFFAOYSA-N -1 3 389.353 0.826 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])cn(Cc2cc(-c3nnn[n-]3)ccc2OC)c1=O ZINC000821668926 607378665 /nfs/dbraw/zinc/37/86/65/607378665.db2.gz PUUAEHAEJVZLLU-UHFFFAOYSA-N -1 3 386.324 0.780 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])cn(Cc2cc(-c3nn[n-]n3)ccc2OC)c1=O ZINC000821668926 607378667 /nfs/dbraw/zinc/37/86/67/607378667.db2.gz PUUAEHAEJVZLLU-UHFFFAOYSA-N -1 3 386.324 0.780 20 5 GCBDHM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826424358 607391710 /nfs/dbraw/zinc/39/17/10/607391710.db2.gz IQXMJYDUTSVMKW-UHFFFAOYSA-N -1 3 384.308 0.363 20 5 GCBDHM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826424358 607391711 /nfs/dbraw/zinc/39/17/11/607391711.db2.gz IQXMJYDUTSVMKW-UHFFFAOYSA-N -1 3 384.308 0.363 20 5 GCBDHM COc1ccc(COC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826205893 607390912 /nfs/dbraw/zinc/39/09/12/607390912.db2.gz SMNKBHHKBYJDPG-UHFFFAOYSA-N -1 3 386.324 0.689 20 5 GCBDHM COc1ccc(COC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826205893 607390914 /nfs/dbraw/zinc/39/09/14/607390914.db2.gz SMNKBHHKBYJDPG-UHFFFAOYSA-N -1 3 386.324 0.689 20 5 GCBDHM O=C(COC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826415451 607391804 /nfs/dbraw/zinc/39/18/04/607391804.db2.gz GJQKVPHLQOWORQ-UHFFFAOYSA-N -1 3 399.323 0.119 20 5 GCBDHM O=C(COC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826415451 607391806 /nfs/dbraw/zinc/39/18/06/607391806.db2.gz GJQKVPHLQOWORQ-UHFFFAOYSA-N -1 3 399.323 0.119 20 5 GCBDHM C[C@H](NC(=O)c1ccc(N2CCO[C@@H](CN(C)C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736658040 599968734 /nfs/dbraw/zinc/96/87/34/599968734.db2.gz YKSWGSGDDIMGHZ-AAEUAGOBSA-N -1 3 380.401 0.565 20 5 GCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ncc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826327303 607468282 /nfs/dbraw/zinc/46/82/82/607468282.db2.gz BSOBQKZLRYEUGT-UHFFFAOYSA-N -1 3 380.328 0.862 20 5 GCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ncc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826327303 607468283 /nfs/dbraw/zinc/46/82/83/607468283.db2.gz BSOBQKZLRYEUGT-UHFFFAOYSA-N -1 3 380.328 0.862 20 5 GCBDHM O=[N+]([O-])c1cccc(S(=O)(=O)NC2CCN(C3CC3)CC2)c1-c1nnn[n-]1 ZINC000826500170 607582583 /nfs/dbraw/zinc/58/25/83/607582583.db2.gz NMDNNWVLFSSSFY-UHFFFAOYSA-N -1 3 393.429 0.680 20 5 GCBDHM O=[N+]([O-])c1cccc(S(=O)(=O)NC2CCN(C3CC3)CC2)c1-c1nn[n-]n1 ZINC000826500170 607582585 /nfs/dbraw/zinc/58/25/85/607582585.db2.gz NMDNNWVLFSSSFY-UHFFFAOYSA-N -1 3 393.429 0.680 20 5 GCBDHM COc1ccc(CNC(=O)CCn2cc([N+](=O)[O-])nc2C)cc1-c1nnn[n-]1 ZINC000826196702 607589086 /nfs/dbraw/zinc/58/90/86/607589086.db2.gz LGOXCIGDMWPWRB-UHFFFAOYSA-N -1 3 386.372 0.995 20 5 GCBDHM COc1ccc(CNC(=O)CCn2cc([N+](=O)[O-])nc2C)cc1-c1nn[n-]n1 ZINC000826196702 607589087 /nfs/dbraw/zinc/58/90/87/607589087.db2.gz LGOXCIGDMWPWRB-UHFFFAOYSA-N -1 3 386.372 0.995 20 5 GCBDHM COCCn1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC000826163945 607685759 /nfs/dbraw/zinc/68/57/59/607685759.db2.gz RQUZOQKHWTXGBO-UHFFFAOYSA-N -1 3 395.357 0.386 20 5 GCBDHM COCCn1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC000826163945 607685760 /nfs/dbraw/zinc/68/57/60/607685760.db2.gz RQUZOQKHWTXGBO-UHFFFAOYSA-N -1 3 395.357 0.386 20 5 GCBDHM COC(=O)[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000833706471 605392314 /nfs/dbraw/zinc/39/23/14/605392314.db2.gz HGWNRJNYDCDGBP-BZPMIXESSA-N -1 3 382.369 0.673 20 5 GCBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821728735 606235901 /nfs/dbraw/zinc/23/59/01/606235901.db2.gz ZBFRGBHTICOTJN-UHFFFAOYSA-N -1 3 387.312 0.907 20 5 GCBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821728735 606235902 /nfs/dbraw/zinc/23/59/02/606235902.db2.gz ZBFRGBHTICOTJN-UHFFFAOYSA-N -1 3 387.312 0.907 20 5 GCBDHM C[C@]1(C2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)NC(=O)NC1=O ZINC000820612403 606301561 /nfs/dbraw/zinc/30/15/61/606301561.db2.gz DAZCCKWEUWVPBQ-MRXNPFEDSA-N -1 3 386.372 0.589 20 5 GCBDHM CCN(CC)C(=O)CN1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000821175422 606644898 /nfs/dbraw/zinc/64/48/98/606644898.db2.gz MTLNVAVRRFYBFT-UHFFFAOYSA-N -1 3 388.432 0.765 20 5 GCBDHM CCN(CC)C(=O)CN1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000821175422 606644899 /nfs/dbraw/zinc/64/48/99/606644899.db2.gz MTLNVAVRRFYBFT-UHFFFAOYSA-N -1 3 388.432 0.765 20 5 GCBDHM CCN1CCC[C@H]1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000821268056 606736322 /nfs/dbraw/zinc/73/63/22/606736322.db2.gz SAGXLEJYNLNKJT-NSHDSACASA-N -1 3 395.445 0.880 20 5 GCBDHM O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000823487427 606783847 /nfs/dbraw/zinc/78/38/47/606783847.db2.gz COGRHHJHOZVTBW-UHFFFAOYSA-N -1 3 381.356 0.527 20 5 GCBDHM O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823487427 606783848 /nfs/dbraw/zinc/78/38/48/606783848.db2.gz COGRHHJHOZVTBW-UHFFFAOYSA-N -1 3 381.356 0.527 20 5 GCBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](CNc3cccnn3)C2)c(-c2nnn[n-]2)c1 ZINC000823639813 606789222 /nfs/dbraw/zinc/78/92/22/606789222.db2.gz HPHZWRJNPDJEPZ-LBPRGKRZSA-N -1 3 383.372 0.882 20 5 GCBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](CNc3cccnn3)C2)c(-c2nn[n-]n2)c1 ZINC000823639813 606789224 /nfs/dbraw/zinc/78/92/24/606789224.db2.gz HPHZWRJNPDJEPZ-LBPRGKRZSA-N -1 3 383.372 0.882 20 5 GCBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](CNc3cccnn3)C2)c(-c2nnn[n-]2)c1 ZINC000823639812 606789343 /nfs/dbraw/zinc/78/93/43/606789343.db2.gz HPHZWRJNPDJEPZ-GFCCVEGCSA-N -1 3 383.372 0.882 20 5 GCBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](CNc3cccnn3)C2)c(-c2nn[n-]n2)c1 ZINC000823639812 606789344 /nfs/dbraw/zinc/78/93/44/606789344.db2.gz HPHZWRJNPDJEPZ-GFCCVEGCSA-N -1 3 383.372 0.882 20 5 GCBDHM O=C(COC(=O)c1ccc([N+](=O)[O-])cn1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823027630 606797693 /nfs/dbraw/zinc/79/76/93/606797693.db2.gz YTTIOAGRCCVEKK-UHFFFAOYSA-N -1 3 383.324 0.643 20 5 GCBDHM O=C(COC(=O)c1ccc([N+](=O)[O-])cn1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823027630 606797694 /nfs/dbraw/zinc/79/76/94/606797694.db2.gz YTTIOAGRCCVEKK-UHFFFAOYSA-N -1 3 383.324 0.643 20 5 GCBDHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821932409 606807951 /nfs/dbraw/zinc/80/79/51/606807951.db2.gz LVPWLBRRJAGTHX-KWQFWETISA-N -1 3 382.406 0.300 20 5 GCBDHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821932409 606807952 /nfs/dbraw/zinc/80/79/52/606807952.db2.gz LVPWLBRRJAGTHX-KWQFWETISA-N -1 3 382.406 0.300 20 5 GCBDHM CCn1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])n1 ZINC000825805096 607851548 /nfs/dbraw/zinc/85/15/48/607851548.db2.gz RMPKLCWHWRCCMU-UHFFFAOYSA-N -1 3 383.321 0.898 20 5 GCBDHM CCn1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])n1 ZINC000825805096 607851549 /nfs/dbraw/zinc/85/15/49/607851549.db2.gz RMPKLCWHWRCCMU-UHFFFAOYSA-N -1 3 383.321 0.898 20 5 GCBDHM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCN(C3CC3)C2)c1-c1nnn[n-]1 ZINC000826500404 607852578 /nfs/dbraw/zinc/85/25/78/607852578.db2.gz XNBCGDRAVMJFBX-VIFPVBQESA-N -1 3 379.402 0.290 20 5 GCBDHM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCN(C3CC3)C2)c1-c1nn[n-]n1 ZINC000826500404 607852579 /nfs/dbraw/zinc/85/25/79/607852579.db2.gz XNBCGDRAVMJFBX-VIFPVBQESA-N -1 3 379.402 0.290 20 5 GCBDHM NC(=O)COc1c(I)cc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826391738 607863234 /nfs/dbraw/zinc/86/32/34/607863234.db2.gz ZZZDAPZVNPOMSE-UHFFFAOYSA-N -1 3 390.097 0.244 20 5 GCBDHM NC(=O)COc1c(I)cc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826391738 607863235 /nfs/dbraw/zinc/86/32/35/607863235.db2.gz ZZZDAPZVNPOMSE-UHFFFAOYSA-N -1 3 390.097 0.244 20 5 GCBDHM NS(=O)(=O)[C@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000826394355 607899498 /nfs/dbraw/zinc/89/94/98/607899498.db2.gz GYCJGOHXWKTLLK-VIFPVBQESA-N -1 3 390.385 0.190 20 5 GCBDHM NS(=O)(=O)[C@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000826394355 607899499 /nfs/dbraw/zinc/89/94/99/607899499.db2.gz GYCJGOHXWKTLLK-VIFPVBQESA-N -1 3 390.385 0.190 20 5 GCBDHM C[C@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824729074 608254435 /nfs/dbraw/zinc/25/44/35/608254435.db2.gz IJBCDJYPQPCFSD-QMMMGPOBSA-N -1 3 386.328 0.692 20 5 GCBDHM C[C@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824729074 608254438 /nfs/dbraw/zinc/25/44/38/608254438.db2.gz IJBCDJYPQPCFSD-QMMMGPOBSA-N -1 3 386.328 0.692 20 5 GCBDHM Cn1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000826362768 608255514 /nfs/dbraw/zinc/25/55/14/608255514.db2.gz IAIYNPCFKXQPNB-GFCCVEGCSA-N -1 3 398.339 0.471 20 5 GCBDHM Cn1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000826362768 608255515 /nfs/dbraw/zinc/25/55/15/608255515.db2.gz IAIYNPCFKXQPNB-GFCCVEGCSA-N -1 3 398.339 0.471 20 5 GCBDHM Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)n1 ZINC000826362981 608255599 /nfs/dbraw/zinc/25/55/99/608255599.db2.gz QSXRQCFVHPZFQG-UHFFFAOYSA-N -1 3 378.330 0.365 20 5 GCBDHM Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)n1 ZINC000826362981 608255601 /nfs/dbraw/zinc/25/56/01/608255601.db2.gz QSXRQCFVHPZFQG-UHFFFAOYSA-N -1 3 378.330 0.365 20 5 GCBDHM NC(=O)c1cc([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)n[nH]1 ZINC000826392601 608293235 /nfs/dbraw/zinc/29/32/35/608293235.db2.gz FAWUTIQQMSPJSY-VIFPVBQESA-N -1 3 383.372 0.981 20 5 GCBDHM NC(=O)c1cc([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)n[nH]1 ZINC000826392601 608293237 /nfs/dbraw/zinc/29/32/37/608293237.db2.gz FAWUTIQQMSPJSY-VIFPVBQESA-N -1 3 383.372 0.981 20 5 GCBDHM O=C(c1ccc(=O)[nH]c1)N1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000826472498 608375260 /nfs/dbraw/zinc/37/52/60/608375260.db2.gz MHQMAIZDHRFVHV-UHFFFAOYSA-N -1 3 396.367 0.838 20 5 GCBDHM O=C(c1ccc(=O)[nH]c1)N1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000826472498 608375261 /nfs/dbraw/zinc/37/52/61/608375261.db2.gz MHQMAIZDHRFVHV-UHFFFAOYSA-N -1 3 396.367 0.838 20 5 GCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000826366808 608376164 /nfs/dbraw/zinc/37/61/64/608376164.db2.gz YRPDLACKNSHCPB-UHFFFAOYSA-N -1 3 378.330 0.365 20 5 GCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000826366808 608376166 /nfs/dbraw/zinc/37/61/66/608376166.db2.gz YRPDLACKNSHCPB-UHFFFAOYSA-N -1 3 378.330 0.365 20 5 GCBDHM Nc1nc(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ncc1[N+](=O)[O-] ZINC000826396044 609575601 /nfs/dbraw/zinc/57/56/01/609575601.db2.gz DRYNWPYBENIVQR-NSHDSACASA-N -1 3 396.371 0.755 20 5 GCBDHM Nc1nc(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ncc1[N+](=O)[O-] ZINC000826396044 609575603 /nfs/dbraw/zinc/57/56/03/609575603.db2.gz DRYNWPYBENIVQR-NSHDSACASA-N -1 3 396.371 0.755 20 5 GCBDHM Nc1nc(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ncc1[N+](=O)[O-] ZINC000826396043 609575627 /nfs/dbraw/zinc/57/56/27/609575627.db2.gz DRYNWPYBENIVQR-LLVKDONJSA-N -1 3 396.371 0.755 20 5 GCBDHM Nc1nc(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ncc1[N+](=O)[O-] ZINC000826396043 609575629 /nfs/dbraw/zinc/57/56/29/609575629.db2.gz DRYNWPYBENIVQR-LLVKDONJSA-N -1 3 396.371 0.755 20 5 GCBDHM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(N)=O ZINC000758482039 640530540 /nfs/dbraw/zinc/53/05/40/640530540.db2.gz GNXUANZDCPKBBC-MRVPVSSYSA-N -1 3 382.192 0.136 20 5 GCBDHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000761419424 640593712 /nfs/dbraw/zinc/59/37/12/640593712.db2.gz UANOMBLIWKCWLI-LBPRGKRZSA-N -1 3 375.403 0.264 20 5 GCBDHM NC(=O)NC(=O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000765210247 640663466 /nfs/dbraw/zinc/66/34/66/640663466.db2.gz ZVAKXDYQTZAYJN-UHFFFAOYSA-N -1 3 395.191 0.221 20 5 GCBDHM CN1CCN(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815036159 641817883 /nfs/dbraw/zinc/81/78/83/641817883.db2.gz RUNJBJXYOZKJMX-UHFFFAOYSA-N -1 3 380.829 0.913 20 5 GCBDHM COc1cc(CC[N-]S(=O)(=O)N=S(C)(C)=O)c([N+](=O)[O-])cc1OC ZINC000820781935 641969242 /nfs/dbraw/zinc/96/92/42/641969242.db2.gz OYQDFNKHWKPPLJ-UHFFFAOYSA-N -1 3 381.432 0.717 20 5 GCBDHM CCOCCS(=O)(=O)[N-]CC(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000803390707 642179694 /nfs/dbraw/zinc/17/96/94/642179694.db2.gz HFKTULIXOQORFC-UHFFFAOYSA-N -1 3 382.341 0.872 20 5 GCBDHM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1COCCN1 ZINC000858628000 642962960 /nfs/dbraw/zinc/96/29/60/642962960.db2.gz IFVDWTZWINCCHA-SECBINFHSA-N -1 3 380.220 0.624 20 5 GCBDHM O=C(Nc1n[n-]c(SCCO)n1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000274856228 1184404830 /nfs/dbraw/zinc/40/48/30/1184404830.db2.gz BWABILPBZSDFDY-UHFFFAOYSA-N -1 3 394.413 0.886 20 5 GCBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cnn(C)c1 ZINC000610269839 1184715184 /nfs/dbraw/zinc/71/51/84/1184715184.db2.gz MTISUEVHXYYLCK-IAQYHMDHSA-N -1 3 393.425 0.942 20 5 GCBDHM CCOC(=O)c1nnc(C2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)[n-]1 ZINC000277830657 1186627554 /nfs/dbraw/zinc/62/75/54/1186627554.db2.gz WBHWKKZBIQZXOE-UHFFFAOYSA-N -1 3 377.361 0.492 20 5 GCBDHM CCOC(=O)c1nc(C2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)n[n-]1 ZINC000277830657 1186627558 /nfs/dbraw/zinc/62/75/58/1186627558.db2.gz WBHWKKZBIQZXOE-UHFFFAOYSA-N -1 3 377.361 0.492 20 5 GCBDHM CS(=O)(=O)c1ccc(NCCN=c2ncnc3[nH][n-]cc2-3)c([N+](=O)[O-])c1 ZINC000502711222 1194351032 /nfs/dbraw/zinc/35/10/32/1194351032.db2.gz HPKKCBNRFZPPGH-UHFFFAOYSA-N -1 3 377.386 0.562 20 5 GCBDHM COC(=O)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)Cc1ccc([O-])c(F)c1 ZINC000422041487 1194379309 /nfs/dbraw/zinc/37/93/09/1194379309.db2.gz OLHRDWRESJLMND-LLVKDONJSA-N -1 3 380.332 0.784 20 5 GCBDHM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000504148844 1194759308 /nfs/dbraw/zinc/75/93/08/1194759308.db2.gz KTRJHJYJCIGXKE-LLVKDONJSA-N -1 3 375.389 0.908 20 5 GCBDHM NS(=O)(=O)c1cc(NCCNC(=O)c2ccc([O-])cc2)cc([N+](=O)[O-])c1 ZINC000436701699 1195026705 /nfs/dbraw/zinc/02/67/05/1195026705.db2.gz ALFSUWKFXWZJAN-UHFFFAOYSA-N -1 3 380.382 0.790 20 5 GCBDHM O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCc1ncccc1[O-] ZINC000473638671 1195426438 /nfs/dbraw/zinc/42/64/38/1195426438.db2.gz YXUHZYFSVXJZKG-UHFFFAOYSA-N -1 3 380.382 0.680 20 5 GCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000442975890 1196012812 /nfs/dbraw/zinc/01/28/12/1196012812.db2.gz RVTGJUQVTYNZDB-UHFFFAOYSA-N -1 3 389.340 0.315 20 5 GCBDHM O=C([N-]CC1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1)C(F)(F)F ZINC000282007518 1196472352 /nfs/dbraw/zinc/47/23/52/1196472352.db2.gz VTHQMJPAEJZAOW-UHFFFAOYSA-N -1 3 392.338 0.891 20 5 GCBDHM CCOC(=O)c1nc(C2CCN(C(=O)c3c([N+](=O)[O-])c(C)nn3C)CC2)n[n-]1 ZINC000444658754 1196511776 /nfs/dbraw/zinc/51/17/76/1196511776.db2.gz BWCRQCWAVIHKRY-UHFFFAOYSA-N -1 3 391.388 0.951 20 5 GCBDHM CCOC(=O)c1nnc(C2CCN(C(=O)c3c([N+](=O)[O-])c(C)nn3C)CC2)[n-]1 ZINC000444658754 1196511777 /nfs/dbraw/zinc/51/17/77/1196511777.db2.gz BWCRQCWAVIHKRY-UHFFFAOYSA-N -1 3 391.388 0.951 20 5 GCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000524386900 1196590957 /nfs/dbraw/zinc/59/09/57/1196590957.db2.gz MPGCEMNMNNZKIQ-LBPRGKRZSA-N -1 3 398.379 0.691 20 5 GCBDHM CCn1cc(S(=O)(=O)[N-]CCCCN2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000532858061 1197416691 /nfs/dbraw/zinc/41/66/91/1197416691.db2.gz BHMQRRKUHHBNCB-BETUJISGSA-N -1 3 389.478 0.979 20 5 GCBDHM COC(=O)Cn1cc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)nn1 ZINC000542746520 1199020345 /nfs/dbraw/zinc/02/03/45/1199020345.db2.gz SMXMLWCGWGHXPA-UHFFFAOYSA-N -1 3 383.386 0.455 20 5 GCBDHM CCOC(=O)c1cc(NC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)[n-]n1 ZINC000542833648 1200937176 /nfs/dbraw/zinc/93/71/76/1200937176.db2.gz NEPWYJBZNHLFDJ-UHFFFAOYSA-N -1 3 391.340 0.872 20 5 GCBDHM CCOC(=O)c1cc(NC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n[n-]1 ZINC000542833648 1200937182 /nfs/dbraw/zinc/93/71/82/1200937182.db2.gz NEPWYJBZNHLFDJ-UHFFFAOYSA-N -1 3 391.340 0.872 20 5 GCBDHM CN(C)S(=O)(=O)c1ccc(N2CCC(c3nnn[n-]3)CC2)c([N+](=O)[O-])c1 ZINC001187371968 1205961150 /nfs/dbraw/zinc/96/11/50/1205961150.db2.gz YBPFZIWPYZPDSQ-UHFFFAOYSA-N -1 3 381.418 0.742 20 5 GCBDHM CN(C)S(=O)(=O)c1ccc(N2CCC(c3nn[n-]n3)CC2)c([N+](=O)[O-])c1 ZINC001187371968 1205961152 /nfs/dbraw/zinc/96/11/52/1205961152.db2.gz YBPFZIWPYZPDSQ-UHFFFAOYSA-N -1 3 381.418 0.742 20 5 GCBDHM O=[N+]([O-])c1ccc2nc(N3CCS(=O)(=O)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645485 946460774 /nfs/dbraw/zinc/46/07/74/946460774.db2.gz RCNNHKREACQPBZ-UHFFFAOYSA-N -1 3 375.370 0.558 20 5 GCBDHM O=[N+]([O-])c1ccc2nc(N3CCS(=O)(=O)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823645485 946460780 /nfs/dbraw/zinc/46/07/80/946460780.db2.gz RCNNHKREACQPBZ-UHFFFAOYSA-N -1 3 375.370 0.558 20 5 GCBDHM C[C@H](OC(=O)c1cc([N+](=O)[O-])cnc1N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824721629 946913121 /nfs/dbraw/zinc/91/31/21/946913121.db2.gz CGWKWVPISYBUJM-QMMMGPOBSA-N -1 3 398.339 0.936 20 5 GCBDHM C[C@H](OC(=O)c1cc([N+](=O)[O-])cnc1N)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824721629 946913132 /nfs/dbraw/zinc/91/31/32/946913132.db2.gz CGWKWVPISYBUJM-QMMMGPOBSA-N -1 3 398.339 0.936 20 5 GCBDHM CC(C)(C(=O)[O-])N1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000600875613 975010682 /nfs/dbraw/zinc/01/06/82/975010682.db2.gz OZVSIQFUXBAJIO-UHFFFAOYSA-N -1 3 392.412 0.722 20 5 GCBDHM CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C(=O)[O-])C1 ZINC001598605657 993648891 /nfs/dbraw/zinc/64/88/91/993648891.db2.gz MYOFZTRZQCKTCH-NWDGAFQWSA-N -1 3 394.384 0.267 20 5 GCBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCCCS(N)(=O)=O)c1 ZINC000292915961 530119552 /nfs/dbraw/zinc/11/95/52/530119552.db2.gz XMLUPGCJYIKNPM-UHFFFAOYSA-N -1 3 385.851 0.904 20 5 GCBDHM O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000285604866 530121467 /nfs/dbraw/zinc/12/14/67/530121467.db2.gz WGEYDABOYKMBJM-UHFFFAOYSA-N -1 3 385.427 0.963 20 5 GCBDHM CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000511326223 530178866 /nfs/dbraw/zinc/17/88/66/530178866.db2.gz NAVNOVCKSYGTBG-NWDGAFQWSA-N -1 3 391.471 0.981 20 5 GCBDHM CN1C(=O)C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1=O ZINC000287176703 530223698 /nfs/dbraw/zinc/22/36/98/530223698.db2.gz CSUGAFSFBIGNGD-QMMMGPOBSA-N -1 3 381.288 0.649 20 5 GCBDHM CN1C(=O)C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1=O ZINC000287461306 530239727 /nfs/dbraw/zinc/23/97/27/530239727.db2.gz RPNNFJHJPZPPRO-MRVPVSSYSA-N -1 3 392.187 0.393 20 5 GCBDHM NC(=O)[C@@H]1CCCN1CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000518620444 530217264 /nfs/dbraw/zinc/21/72/64/530217264.db2.gz QWGZMDDVZOUXJZ-NSHDSACASA-N -1 3 390.849 0.866 20 5 GCBDHM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000612631829 530270781 /nfs/dbraw/zinc/27/07/81/530270781.db2.gz ROGQOMJIFGITDU-VIFPVBQESA-N -1 3 386.304 0.816 20 5 GCBDHM CS(=O)(=O)N1CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000513110621 530252715 /nfs/dbraw/zinc/25/27/15/530252715.db2.gz RAKARBQFXASGRF-SECBINFHSA-N -1 3 397.862 0.808 20 5 GCBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)NS(C)(=O)=O)cc1C ZINC000068940629 530255272 /nfs/dbraw/zinc/25/52/72/530255272.db2.gz KCNABWSVHNSZST-UHFFFAOYSA-N -1 3 379.460 0.818 20 5 GCBDHM COCCOCCC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000263994842 530256665 /nfs/dbraw/zinc/25/66/65/530256665.db2.gz LNAYFTDNOKJXNT-UHFFFAOYSA-N -1 3 376.387 0.697 20 5 GCBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C2CCN(S(C)(=O)=O)CC2)c1[N+](=O)[O-] ZINC000478176261 530257830 /nfs/dbraw/zinc/25/78/30/530257830.db2.gz NBDOFTFQPIVGPB-UHFFFAOYSA-N -1 3 391.471 0.914 20 5 GCBDHM COCCCONC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000288142016 530258662 /nfs/dbraw/zinc/25/86/62/530258662.db2.gz YJKNEALBNSMZLT-UHFFFAOYSA-N -1 3 376.391 0.140 20 5 GCBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000409827516 530301862 /nfs/dbraw/zinc/30/18/62/530301862.db2.gz IIOCIXQEDMEWDP-VXGBXAGGSA-N -1 3 391.471 0.899 20 5 GCBDHM CCN(CCO)CC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000274367197 530316143 /nfs/dbraw/zinc/31/61/43/530316143.db2.gz FRMAKKHEHHNMJE-UHFFFAOYSA-N -1 3 396.263 0.950 20 5 GCBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCn2ncnn2)c1 ZINC000480821896 530363277 /nfs/dbraw/zinc/36/32/77/530363277.db2.gz IRDMDIZDLGYBLM-UHFFFAOYSA-N -1 3 377.180 0.322 20 5 GCBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCn1cc(CO)nn1 ZINC000564758914 530351257 /nfs/dbraw/zinc/35/12/57/530351257.db2.gz JWFHKURNJKYDIH-UHFFFAOYSA-N -1 3 375.794 0.701 20 5 GCBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000565235686 530351726 /nfs/dbraw/zinc/35/17/26/530351726.db2.gz RXNKBYDSGFYXDC-NSHDSACASA-N -1 3 384.819 0.076 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)CC[N-]S(=O)(=O)c2cncc(F)c2)cc1 ZINC000541828218 530481449 /nfs/dbraw/zinc/48/14/49/530481449.db2.gz LXUAMDFIBVSRCH-UHFFFAOYSA-N -1 3 389.386 0.881 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCCS(=O)(=O)C1 ZINC000328389402 530520064 /nfs/dbraw/zinc/52/00/64/530520064.db2.gz NJFMRBBECLHPGH-SECBINFHSA-N -1 3 392.411 0.237 20 5 GCBDHM O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CSCCS1 ZINC000265302496 530527519 /nfs/dbraw/zinc/52/75/19/530527519.db2.gz YKPGZLRWSICGBA-LLVKDONJSA-N -1 3 391.496 0.838 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CCS(C)(=O)=O ZINC000544126566 530570421 /nfs/dbraw/zinc/57/04/21/530570421.db2.gz IEVWPAMURPCYEC-SECBINFHSA-N -1 3 394.427 0.483 20 5 GCBDHM CCS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000438905818 530572403 /nfs/dbraw/zinc/57/24/03/530572403.db2.gz ZBQAWUJMSXGAKU-UHFFFAOYSA-N -1 3 391.471 0.771 20 5 GCBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCN2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000267664062 530592501 /nfs/dbraw/zinc/59/25/01/530592501.db2.gz NFWMZOXRXBXVGS-UHFFFAOYSA-N -1 3 397.862 0.870 20 5 GCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN2CCS(=O)(=O)CC2)c1C ZINC000414460325 530603607 /nfs/dbraw/zinc/60/36/07/530603607.db2.gz QCEXYVHQLZBGBF-UHFFFAOYSA-N -1 3 391.471 0.220 20 5 GCBDHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1=O ZINC000160497430 530738897 /nfs/dbraw/zinc/73/88/97/530738897.db2.gz AOOSKUQXRSTOBH-SECBINFHSA-N -1 3 378.204 0.866 20 5 GCBDHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000591784447 530729752 /nfs/dbraw/zinc/72/97/52/530729752.db2.gz IFUDEUCSOSHMGQ-HQJQHLMTSA-N -1 3 385.320 0.301 20 5 GCBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000269522304 530770619 /nfs/dbraw/zinc/77/06/19/530770619.db2.gz MTZHTYYKQQGRER-UHFFFAOYSA-N -1 3 387.443 0.646 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)CS(C)(=O)=O ZINC000391430750 530779448 /nfs/dbraw/zinc/77/94/48/530779448.db2.gz MFNHLLYALSILHH-UHFFFAOYSA-N -1 3 394.427 0.483 20 5 GCBDHM NS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000016091581 530766218 /nfs/dbraw/zinc/76/62/18/530766218.db2.gz GJBZNEXWWITKGR-UHFFFAOYSA-N -1 3 377.425 0.782 20 5 GCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCS(=O)(=O)NCC1CCC1 ZINC000068938749 530795022 /nfs/dbraw/zinc/79/50/22/530795022.db2.gz HGGVDLSTAUUFCO-UHFFFAOYSA-N -1 3 391.471 0.901 20 5 GCBDHM COC(=O)Nc1ccc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000275074193 530817747 /nfs/dbraw/zinc/81/77/47/530817747.db2.gz LLVXYEMUPPTPFD-VIFPVBQESA-N -1 3 387.292 0.975 20 5 GCBDHM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593599245 530820381 /nfs/dbraw/zinc/82/03/81/530820381.db2.gz RVJYVLQDWAOIJL-ZYHUDNBSSA-N -1 3 392.459 0.376 20 5 GCBDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCF)C(=O)OC)cc1[N+](=O)[O-] ZINC000593633430 530822517 /nfs/dbraw/zinc/82/25/17/530822517.db2.gz GXWWSTLTDNRQSZ-SNVBAGLBSA-N -1 3 378.334 0.561 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]CC[C@@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000593661992 530824660 /nfs/dbraw/zinc/82/46/60/530824660.db2.gz YXUNNTMHMJHDAX-AWEZNQCLSA-N -1 3 378.378 0.952 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCS(=O)(=O)C2)cc1Br ZINC000298842791 530846653 /nfs/dbraw/zinc/84/66/53/530846653.db2.gz HWIVYJFPSJZTFY-ZETCQYMHSA-N -1 3 399.244 0.823 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](CO)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000416609364 530847296 /nfs/dbraw/zinc/84/72/96/530847296.db2.gz MLOBXXSVTZTVKD-BXKDBHETSA-N -1 3 378.378 0.808 20 5 GCBDHM CCS(=O)(=O)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000416624350 530848357 /nfs/dbraw/zinc/84/83/57/530848357.db2.gz QCJZBEHZOQMBOE-UHFFFAOYSA-N -1 3 394.427 0.485 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000275112969 530904087 /nfs/dbraw/zinc/90/40/87/530904087.db2.gz WUJUVKUAAHQCGC-SNVBAGLBSA-N -1 3 376.410 0.267 20 5 GCBDHM CS(=O)(=O)N[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000463221928 530904990 /nfs/dbraw/zinc/90/49/90/530904990.db2.gz MPUODLGXYABUKS-QWRGUYRKSA-N -1 3 377.444 0.734 20 5 GCBDHM O=C1OCCN1c1ccc(S(=O)(=O)[N-]CC(F)(F)CO)cc1[N+](=O)[O-] ZINC000275128971 530907320 /nfs/dbraw/zinc/90/73/20/530907320.db2.gz BJIPPSOHIWDDAJ-UHFFFAOYSA-N -1 3 381.313 0.457 20 5 GCBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@@H]1CCCS(=O)(=O)C1 ZINC000594753333 530879261 /nfs/dbraw/zinc/87/92/61/530879261.db2.gz IQTJDEQAJICHPT-SNVBAGLBSA-N -1 3 385.423 0.999 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)[C@H](CO)SC ZINC000276398770 530911147 /nfs/dbraw/zinc/91/11/47/530911147.db2.gz SKPGWYJJRZRTOC-KWQFWETISA-N -1 3 378.428 0.772 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)[C@@H](CO)SC ZINC000276398760 530911173 /nfs/dbraw/zinc/91/11/73/530911173.db2.gz SKPGWYJJRZRTOC-GZMMTYOYSA-N -1 3 378.428 0.772 20 5 GCBDHM Cc1ccc(S(=O)(=O)[N-]CCNS(=O)(=O)NC(C)C)c([N+](=O)[O-])c1 ZINC000428399464 530897585 /nfs/dbraw/zinc/89/75/85/530897585.db2.gz BDBQUQKDYCPSSN-UHFFFAOYSA-N -1 3 380.448 0.014 20 5 GCBDHM O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000490887382 530929708 /nfs/dbraw/zinc/92/97/08/530929708.db2.gz VZLSGWPKLWPNJY-JTQLQIEISA-N -1 3 383.158 0.734 20 5 GCBDHM NC(=O)COCC[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000269805574 530931556 /nfs/dbraw/zinc/93/15/56/530931556.db2.gz VGKPIPDMDQIOFC-UHFFFAOYSA-N -1 3 382.192 0.138 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-]CC2(O)CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000556405170 530933542 /nfs/dbraw/zinc/93/35/42/530933542.db2.gz XHXVOTXOZFJVBU-UHFFFAOYSA-N -1 3 384.457 0.183 20 5 GCBDHM COC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000271808600 530933600 /nfs/dbraw/zinc/93/36/00/530933600.db2.gz XZIVKRDXOCIPDI-SECBINFHSA-N -1 3 383.176 0.170 20 5 GCBDHM CNC(=O)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000493541982 530933764 /nfs/dbraw/zinc/93/37/64/530933764.db2.gz HNISIVVDVVKXMT-MWLCHTKSSA-N -1 3 375.378 0.936 20 5 GCBDHM CSCC[C@H](CO)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000443494617 530911865 /nfs/dbraw/zinc/91/18/65/530911865.db2.gz WLASOIVMGLCVSI-SECBINFHSA-N -1 3 378.428 0.758 20 5 GCBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCOCCS(C)(=O)=O)c1[N+](=O)[O-] ZINC000276925878 530912181 /nfs/dbraw/zinc/91/21/81/530912181.db2.gz ZNDSQVLQZRXYKX-UHFFFAOYSA-N -1 3 380.444 0.551 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCCN2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000467051242 530913691 /nfs/dbraw/zinc/91/36/91/530913691.db2.gz MYSBKKNYLBRTIH-SECBINFHSA-N -1 3 383.473 0.667 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000467042949 530914025 /nfs/dbraw/zinc/91/40/25/530914025.db2.gz CYCANCOMDVTAGI-VIFPVBQESA-N -1 3 383.473 0.525 20 5 GCBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)N1CCOCC1 ZINC000467072678 530914467 /nfs/dbraw/zinc/91/44/67/530914467.db2.gz CKHPOLPIUSPPRX-SNVBAGLBSA-N -1 3 377.444 0.880 20 5 GCBDHM COCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)CC2 ZINC000467062890 530914473 /nfs/dbraw/zinc/91/44/73/530914473.db2.gz GTDKAORYTJKJRV-SECBINFHSA-N -1 3 387.443 0.996 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCC[C@@]23NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000467081588 530914582 /nfs/dbraw/zinc/91/45/82/530914582.db2.gz AWKTYROYTAMDDK-AMIZOPFISA-N -1 3 388.427 0.621 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-]CCCN2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000467398309 530915063 /nfs/dbraw/zinc/91/50/63/530915063.db2.gz HERKKFVKRIKZHM-SNVBAGLBSA-N -1 3 376.460 0.583 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCS(=O)(=O)C1 ZINC000469185289 530918234 /nfs/dbraw/zinc/91/82/34/530918234.db2.gz HUZQSMZJUMBSJE-VIFPVBQESA-N -1 3 392.411 0.237 20 5 GCBDHM CC(C)(C)[S@](=O)CCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280709730 530920236 /nfs/dbraw/zinc/92/02/36/530920236.db2.gz GCCDXFSCKWORLQ-XMMPIXPASA-N -1 3 391.471 0.537 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)C(=O)NCCF ZINC000282392947 530924057 /nfs/dbraw/zinc/92/40/57/530924057.db2.gz ROAFTVLLKHFGLS-MRVPVSSYSA-N -1 3 377.350 0.134 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000269782116 530927252 /nfs/dbraw/zinc/92/72/52/530927252.db2.gz ABWCETAJNHCUJQ-UHFFFAOYSA-N -1 3 393.834 0.601 20 5 GCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2CN(S(C)(=O)=O)C2)c1C ZINC000494309473 530934997 /nfs/dbraw/zinc/93/49/97/530934997.db2.gz IXRPIWFZXQOSOL-UHFFFAOYSA-N -1 3 377.444 0.381 20 5 GCBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCS(=O)(=O)NC(C)(C)C ZINC000603583581 530935640 /nfs/dbraw/zinc/93/56/40/530935640.db2.gz KGXCNCRTOVSOKP-UHFFFAOYSA-N -1 3 395.459 0.600 20 5 GCBDHM COc1ccc(S(=O)(=O)[N-]CCS(=O)(=O)NC(C)(C)C)c([N+](=O)[O-])c1 ZINC000603583587 530935769 /nfs/dbraw/zinc/93/57/69/530935769.db2.gz LTNABHCAFNVNOE-UHFFFAOYSA-N -1 3 395.459 0.600 20 5 GCBDHM CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000497510965 530939743 /nfs/dbraw/zinc/93/97/43/530939743.db2.gz RRUWNLOTTHMHTM-UHFFFAOYSA-N -1 3 385.851 0.856 20 5 GCBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCN2S(C)(=O)=O)cc1C ZINC000269834460 530947574 /nfs/dbraw/zinc/94/75/74/530947574.db2.gz ALHZHSNDYNCEJO-GFCCVEGCSA-N -1 3 391.471 0.914 20 5 GCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000269874038 530951199 /nfs/dbraw/zinc/95/11/99/530951199.db2.gz OJJJHSYDPMKVJK-SNVBAGLBSA-N -1 3 393.443 0.163 20 5 GCBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(N)=O)O2)c1 ZINC000272455530 530995938 /nfs/dbraw/zinc/99/59/38/530995938.db2.gz KQFJGNVHRQDSTM-PSASIEDQSA-N -1 3 377.806 0.868 20 5 GCBDHM CN1CC[C@](O)(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416451085 531031200 /nfs/dbraw/zinc/03/12/00/531031200.db2.gz ATDREOLIRQTUTL-LBPRGKRZSA-N -1 3 383.348 0.959 20 5 GCBDHM CNC(=O)CN1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000056044827 531001847 /nfs/dbraw/zinc/00/18/47/531001847.db2.gz QNYWVDDLPJRQEV-UHFFFAOYSA-N -1 3 390.849 0.737 20 5 GCBDHM O=[N+]([O-])c1cnc(N2CCn3c(nnc3C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000738370526 598857293 /nfs/dbraw/zinc/85/72/93/598857293.db2.gz UXFUIMZKCAHVRX-UHFFFAOYSA-N -1 3 382.266 0.800 20 5 GCBDHM O=[N+]([O-])c1cnc(N2CCn3c(nnc3C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000738370526 598857295 /nfs/dbraw/zinc/85/72/95/598857295.db2.gz UXFUIMZKCAHVRX-UHFFFAOYSA-N -1 3 382.266 0.800 20 5 GCBDHM NC(=O)[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737740731 599111682 /nfs/dbraw/zinc/11/16/82/599111682.db2.gz ODBXHPVJACDETI-CYBMUJFWSA-N -1 3 383.324 0.741 20 5 GCBDHM NC(=O)[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737740731 599111684 /nfs/dbraw/zinc/11/16/84/599111684.db2.gz ODBXHPVJACDETI-CYBMUJFWSA-N -1 3 383.324 0.741 20 5 GCBDHM CN(CC(=O)NCCNc1ncccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000821592803 599144739 /nfs/dbraw/zinc/14/47/39/599144739.db2.gz WGGCNXAXZMYPQY-UHFFFAOYSA-N -1 3 397.399 0.834 20 5 GCBDHM CN(CC(=O)NCCNc1ncccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000821592803 599144741 /nfs/dbraw/zinc/14/47/41/599144741.db2.gz WGGCNXAXZMYPQY-UHFFFAOYSA-N -1 3 397.399 0.834 20 5 GCBDHM O=C(Cn1ccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1)N1CCOCC1 ZINC000737986434 599232031 /nfs/dbraw/zinc/23/20/31/599232031.db2.gz JEDCOJXROIGIGA-UHFFFAOYSA-N -1 3 399.371 0.574 20 5 GCBDHM NC(=O)CN1CCC(Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000737752063 599265497 /nfs/dbraw/zinc/26/54/97/599265497.db2.gz DQFIABLXZPOKFI-UHFFFAOYSA-N -1 3 397.399 0.685 20 5 GCBDHM NC(=O)CN1CCC(Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000737752063 599265499 /nfs/dbraw/zinc/26/54/99/599265499.db2.gz DQFIABLXZPOKFI-UHFFFAOYSA-N -1 3 397.399 0.685 20 5 GCBDHM Cc1nnc(CN2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)n1C ZINC000737519624 598339974 /nfs/dbraw/zinc/33/99/74/598339974.db2.gz BIYJDSWLYYFZDV-UHFFFAOYSA-N -1 3 384.404 0.534 20 5 GCBDHM Cc1nnc(CN2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)n1C ZINC000737519624 598339979 /nfs/dbraw/zinc/33/99/79/598339979.db2.gz BIYJDSWLYYFZDV-UHFFFAOYSA-N -1 3 384.404 0.534 20 5 GCBDHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000738032662 598457045 /nfs/dbraw/zinc/45/70/45/598457045.db2.gz RUOPKSUXIGRTAW-UHFFFAOYSA-N -1 3 383.372 0.897 20 5 GCBDHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000738032662 598457047 /nfs/dbraw/zinc/45/70/47/598457047.db2.gz RUOPKSUXIGRTAW-UHFFFAOYSA-N -1 3 383.372 0.897 20 5 GCBDHM CCn1ccnc1CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736721586 598502142 /nfs/dbraw/zinc/50/21/42/598502142.db2.gz HAUAOEUSWOQYMW-UHFFFAOYSA-N -1 3 384.404 0.709 20 5 GCBDHM CCn1ccnc1CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736721586 598502144 /nfs/dbraw/zinc/50/21/44/598502144.db2.gz HAUAOEUSWOQYMW-UHFFFAOYSA-N -1 3 384.404 0.709 20 5 GCBDHM NC(=O)c1ccccc1N1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737760188 598748070 /nfs/dbraw/zinc/74/80/70/598748070.db2.gz IDXNSBNNBHLRKQ-SNVBAGLBSA-N -1 3 395.383 0.960 20 5 GCBDHM NC(=O)c1ccccc1N1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737760188 598748071 /nfs/dbraw/zinc/74/80/71/598748071.db2.gz IDXNSBNNBHLRKQ-SNVBAGLBSA-N -1 3 395.383 0.960 20 5 GCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000737488452 599298914 /nfs/dbraw/zinc/29/89/14/599298914.db2.gz VMARTDRQJRVAJY-UHFFFAOYSA-N -1 3 376.362 0.221 20 5 GCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000737488452 599298916 /nfs/dbraw/zinc/29/89/16/599298916.db2.gz VMARTDRQJRVAJY-UHFFFAOYSA-N -1 3 376.362 0.221 20 5 GCBDHM NS(=O)(=O)c1ccc(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000822895136 599350851 /nfs/dbraw/zinc/35/08/51/599350851.db2.gz LEBCITRTCJXTHL-UHFFFAOYSA-N -1 3 390.385 0.472 20 5 GCBDHM NS(=O)(=O)c1ccc(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000822895136 599350853 /nfs/dbraw/zinc/35/08/53/599350853.db2.gz LEBCITRTCJXTHL-UHFFFAOYSA-N -1 3 390.385 0.472 20 5 GCBDHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000738261815 599388507 /nfs/dbraw/zinc/38/85/07/599388507.db2.gz UQCZZDYVNDJJFP-NSHDSACASA-N -1 3 381.356 0.892 20 5 GCBDHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000738261815 599388510 /nfs/dbraw/zinc/38/85/10/599388510.db2.gz UQCZZDYVNDJJFP-NSHDSACASA-N -1 3 381.356 0.892 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000821668729 607378568 /nfs/dbraw/zinc/37/85/68/607378568.db2.gz GCQISIDPSWDNAU-UHFFFAOYSA-N -1 3 386.324 0.780 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000821668729 607378569 /nfs/dbraw/zinc/37/85/69/607378569.db2.gz GCQISIDPSWDNAU-UHFFFAOYSA-N -1 3 386.324 0.780 20 5 GCBDHM COC(=O)[C@@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000821657633 599523925 /nfs/dbraw/zinc/52/39/25/599523925.db2.gz RTNUPIDBRQTMFR-ZDUSSCGKSA-N -1 3 385.340 0.701 20 5 GCBDHM COC(=O)[C@@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000821657633 599523927 /nfs/dbraw/zinc/52/39/27/599523927.db2.gz RTNUPIDBRQTMFR-ZDUSSCGKSA-N -1 3 385.340 0.701 20 5 GCBDHM O=C1CNC(=O)N1CCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000823535882 599545860 /nfs/dbraw/zinc/54/58/60/599545860.db2.gz LBIQTCMEZVSMCQ-UHFFFAOYSA-N -1 3 397.355 0.677 20 5 GCBDHM O=C1CNC(=O)N1CCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000823535882 599545862 /nfs/dbraw/zinc/54/58/62/599545862.db2.gz LBIQTCMEZVSMCQ-UHFFFAOYSA-N -1 3 397.355 0.677 20 5 GCBDHM O=C1CCC(=O)N1CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000823525034 599558387 /nfs/dbraw/zinc/55/83/87/599558387.db2.gz FEYLTLNPMWXKOU-UHFFFAOYSA-N -1 3 382.340 0.884 20 5 GCBDHM O=C1CCC(=O)N1CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000823525034 599558389 /nfs/dbraw/zinc/55/83/89/599558389.db2.gz FEYLTLNPMWXKOU-UHFFFAOYSA-N -1 3 382.340 0.884 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000823123236 599654117 /nfs/dbraw/zinc/65/41/17/599654117.db2.gz UFKAACRMDYBPRI-UHFFFAOYSA-N -1 3 397.311 0.765 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000823123236 599654118 /nfs/dbraw/zinc/65/41/18/599654118.db2.gz UFKAACRMDYBPRI-UHFFFAOYSA-N -1 3 397.311 0.765 20 5 GCBDHM NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000739161579 599942833 /nfs/dbraw/zinc/94/28/33/599942833.db2.gz WJYQQDSEMJQOAP-OAHLLOKOSA-N -1 3 390.396 0.847 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826424268 607421068 /nfs/dbraw/zinc/42/10/68/607421068.db2.gz DGDWHVIRCZCNBA-UHFFFAOYSA-N -1 3 381.352 0.742 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826424268 607421070 /nfs/dbraw/zinc/42/10/70/607421070.db2.gz DGDWHVIRCZCNBA-UHFFFAOYSA-N -1 3 381.352 0.742 20 5 GCBDHM O=C(CCN1C(=O)CCC1=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826406862 607523408 /nfs/dbraw/zinc/52/34/08/607523408.db2.gz QNJJEPTXFNQWJN-UHFFFAOYSA-N -1 3 393.747 0.906 20 5 GCBDHM O=C(CCN1C(=O)CCC1=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826406862 607523410 /nfs/dbraw/zinc/52/34/10/607523410.db2.gz QNJJEPTXFNQWJN-UHFFFAOYSA-N -1 3 393.747 0.906 20 5 GCBDHM C[C@@H]1CCCN(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1 ZINC000824947990 607588748 /nfs/dbraw/zinc/58/87/48/607588748.db2.gz SFEJTNDDOFEGAK-LLVKDONJSA-N -1 3 395.445 0.785 20 5 GCBDHM COc1ccc(COC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1-c1nnn[n-]1 ZINC000826205959 607604606 /nfs/dbraw/zinc/60/46/06/607604606.db2.gz WBXLUKOOGWUFEK-UHFFFAOYSA-N -1 3 386.324 0.689 20 5 GCBDHM COc1ccc(COC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1-c1nn[n-]n1 ZINC000826205959 607604608 /nfs/dbraw/zinc/60/46/08/607604608.db2.gz WBXLUKOOGWUFEK-UHFFFAOYSA-N -1 3 386.324 0.689 20 5 GCBDHM CCN1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1 ZINC000825458484 607608269 /nfs/dbraw/zinc/60/82/69/607608269.db2.gz CZDNOBBHWIRCAZ-UHFFFAOYSA-N -1 3 381.418 0.491 20 5 GCBDHM CCN1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000825458484 607608271 /nfs/dbraw/zinc/60/82/71/607608271.db2.gz CZDNOBBHWIRCAZ-UHFFFAOYSA-N -1 3 381.418 0.491 20 5 GCBDHM C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000824999192 607614737 /nfs/dbraw/zinc/61/47/37/607614737.db2.gz DLEXJPUMIQGEIJ-QWRGUYRKSA-N -1 3 393.429 0.632 20 5 GCBDHM CN(C)C[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000825860641 607673542 /nfs/dbraw/zinc/67/35/42/607673542.db2.gz VAFTZEWXODRWIJ-JTQLQIEISA-N -1 3 381.418 0.490 20 5 GCBDHM CC(C)N1C(=O)N[C@@]2(CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)C1=O ZINC000824295893 607674873 /nfs/dbraw/zinc/67/48/73/607674873.db2.gz BGLOOASZICFNED-MRXNPFEDSA-N -1 3 386.372 0.684 20 5 GCBDHM CC(C)N1C(=O)N[C@@]2(CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)C1=O ZINC000824295893 607674875 /nfs/dbraw/zinc/67/48/75/607674875.db2.gz BGLOOASZICFNED-MRXNPFEDSA-N -1 3 386.372 0.684 20 5 GCBDHM CC(C)N1C(=O)N[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)C1=O ZINC000824297046 607676013 /nfs/dbraw/zinc/67/60/13/607676013.db2.gz OVBRPGDVLSQQJJ-MRXNPFEDSA-N -1 3 386.372 0.684 20 5 GCBDHM CC(C)N1C(=O)N[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)C1=O ZINC000824297046 607676015 /nfs/dbraw/zinc/67/60/15/607676015.db2.gz OVBRPGDVLSQQJJ-MRXNPFEDSA-N -1 3 386.372 0.684 20 5 GCBDHM COC(=O)[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000833707899 605696267 /nfs/dbraw/zinc/69/62/67/605696267.db2.gz NGDGXCMNVXDOSA-KYOSRNDESA-N -1 3 382.369 0.673 20 5 GCBDHM O=[N+]([O-])c1ccn(CCN2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)n1 ZINC000823648611 606186430 /nfs/dbraw/zinc/18/64/30/606186430.db2.gz YQZWHADOGFDJRW-UHFFFAOYSA-N -1 3 387.379 0.933 20 5 GCBDHM COC(=O)[C@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000821648645 606370503 /nfs/dbraw/zinc/37/05/03/606370503.db2.gz OTZJTYHFIHPEHA-CYBMUJFWSA-N -1 3 387.312 0.429 20 5 GCBDHM COC(=O)[C@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000821648645 606370505 /nfs/dbraw/zinc/37/05/05/606370505.db2.gz OTZJTYHFIHPEHA-CYBMUJFWSA-N -1 3 387.312 0.429 20 5 GCBDHM C[C@@]1([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)NC(=O)NC1=O ZINC000820613142 606434155 /nfs/dbraw/zinc/43/41/55/606434155.db2.gz ULGZQLSRDVMJAZ-HWPZZCPQSA-N -1 3 386.372 0.589 20 5 GCBDHM C[C@@]1([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)NC(=O)NC1=O ZINC000820613144 606434331 /nfs/dbraw/zinc/43/43/31/606434331.db2.gz ULGZQLSRDVMJAZ-QFYYESIMSA-N -1 3 386.372 0.589 20 5 GCBDHM C[C@]1([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)NC(=O)NC1=O ZINC000820612688 606434360 /nfs/dbraw/zinc/43/43/60/606434360.db2.gz HJZONDBFXROLNU-XXFAHNHDSA-N -1 3 386.372 0.589 20 5 GCBDHM C[C@]1([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)NC(=O)NC1=O ZINC000820612688 606434361 /nfs/dbraw/zinc/43/43/61/606434361.db2.gz HJZONDBFXROLNU-XXFAHNHDSA-N -1 3 386.372 0.589 20 5 GCBDHM Nc1c(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cccc1[N+](=O)[O-] ZINC000822903796 606530002 /nfs/dbraw/zinc/53/00/02/606530002.db2.gz OOEZXLRUWFJMKX-UHFFFAOYSA-N -1 3 395.383 0.715 20 5 GCBDHM Nc1c(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cccc1[N+](=O)[O-] ZINC000822903796 606530003 /nfs/dbraw/zinc/53/00/03/606530003.db2.gz OOEZXLRUWFJMKX-UHFFFAOYSA-N -1 3 395.383 0.715 20 5 GCBDHM O=C([C@H]1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1)N1CCOCC1 ZINC000822916865 606645234 /nfs/dbraw/zinc/64/52/34/606645234.db2.gz GRKWGEKROZWTAG-LBPRGKRZSA-N -1 3 387.400 0.850 20 5 GCBDHM O=c1ccccn1CCN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000823664620 606709550 /nfs/dbraw/zinc/70/95/50/606709550.db2.gz BGXNRSHJYZUJQC-UHFFFAOYSA-N -1 3 397.399 0.154 20 5 GCBDHM CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000821268054 606736076 /nfs/dbraw/zinc/73/60/76/606736076.db2.gz SAGXLEJYNLNKJT-LLVKDONJSA-N -1 3 395.445 0.880 20 5 GCBDHM O=[N+]([O-])c1cnc(N2CCO[C@@H](CNc3cccnn3)C2)c(-c2nnn[n-]2)c1 ZINC000823651127 606788976 /nfs/dbraw/zinc/78/89/76/606788976.db2.gz GORBVLRPFJLWAL-NSHDSACASA-N -1 3 384.360 0.277 20 5 GCBDHM O=[N+]([O-])c1cnc(N2CCO[C@@H](CNc3cccnn3)C2)c(-c2nn[n-]n2)c1 ZINC000823651127 606788977 /nfs/dbraw/zinc/78/89/77/606788977.db2.gz GORBVLRPFJLWAL-NSHDSACASA-N -1 3 384.360 0.277 20 5 GCBDHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821932410 606807895 /nfs/dbraw/zinc/80/78/95/606807895.db2.gz LVPWLBRRJAGTHX-LDYMZIIASA-N -1 3 382.406 0.300 20 5 GCBDHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821932410 606807896 /nfs/dbraw/zinc/80/78/96/606807896.db2.gz LVPWLBRRJAGTHX-LDYMZIIASA-N -1 3 382.406 0.300 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])cn(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1=O ZINC000821669069 606861832 /nfs/dbraw/zinc/86/18/32/606861832.db2.gz WQQBFZATXBGRRE-ZDUSSCGKSA-N -1 3 386.324 0.457 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])cn(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000821669069 606861834 /nfs/dbraw/zinc/86/18/34/606861834.db2.gz WQQBFZATXBGRRE-ZDUSSCGKSA-N -1 3 386.324 0.457 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823118527 607170033 /nfs/dbraw/zinc/17/00/33/607170033.db2.gz CTKBUZYAAMGRRH-UHFFFAOYSA-N -1 3 386.284 0.484 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823118527 607170034 /nfs/dbraw/zinc/17/00/34/607170034.db2.gz CTKBUZYAAMGRRH-UHFFFAOYSA-N -1 3 386.284 0.484 20 5 GCBDHM O=C(NCCn1cc([N+](=O)[O-])cn1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823229344 607173385 /nfs/dbraw/zinc/17/33/85/607173385.db2.gz MMJOMUOVBWAWPK-UHFFFAOYSA-N -1 3 375.324 0.610 20 5 GCBDHM O=C(NCCn1cc([N+](=O)[O-])cn1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823229344 607173386 /nfs/dbraw/zinc/17/33/86/607173386.db2.gz MMJOMUOVBWAWPK-UHFFFAOYSA-N -1 3 375.324 0.610 20 5 GCBDHM O=[N+]([O-])c1ccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(-n2cnnn2)c1 ZINC000826498627 607877521 /nfs/dbraw/zinc/87/75/21/607877521.db2.gz DADFLBMKMTVHHO-AWEZNQCLSA-N -1 3 395.339 0.863 20 5 GCBDHM O=[N+]([O-])c1ccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(-n2cnnn2)c1 ZINC000826498627 607877522 /nfs/dbraw/zinc/87/75/22/607877522.db2.gz DADFLBMKMTVHHO-AWEZNQCLSA-N -1 3 395.339 0.863 20 5 GCBDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000826411829 608004945 /nfs/dbraw/zinc/00/49/45/608004945.db2.gz PIZTVPSMYCCPPM-UHFFFAOYSA-N -1 3 395.379 0.864 20 5 GCBDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000826411829 608004946 /nfs/dbraw/zinc/00/49/46/608004946.db2.gz PIZTVPSMYCCPPM-UHFFFAOYSA-N -1 3 395.379 0.864 20 5 GCBDHM O=C(CN1CCC(=O)NC1=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826480438 608162223 /nfs/dbraw/zinc/16/22/23/608162223.db2.gz BIVBGKQFGLRLTB-UHFFFAOYSA-N -1 3 394.735 0.309 20 5 GCBDHM O=C(CN1CCC(=O)NC1=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826480438 608162225 /nfs/dbraw/zinc/16/22/25/608162225.db2.gz BIVBGKQFGLRLTB-UHFFFAOYSA-N -1 3 394.735 0.309 20 5 GCBDHM C[C@@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824729070 608254233 /nfs/dbraw/zinc/25/42/33/608254233.db2.gz IJBCDJYPQPCFSD-MRVPVSSYSA-N -1 3 386.328 0.692 20 5 GCBDHM C[C@@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824729070 608254234 /nfs/dbraw/zinc/25/42/34/608254234.db2.gz IJBCDJYPQPCFSD-MRVPVSSYSA-N -1 3 386.328 0.692 20 5 GCBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000826172221 608365800 /nfs/dbraw/zinc/36/58/00/608365800.db2.gz UFHCXEQKQRFFSI-UHFFFAOYSA-N -1 3 386.324 0.689 20 5 GCBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000826172221 608365801 /nfs/dbraw/zinc/36/58/01/608365801.db2.gz UFHCXEQKQRFFSI-UHFFFAOYSA-N -1 3 386.324 0.689 20 5 GCBDHM O=c1cc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)[nH]c2c(-c3nnn[n-]3)cnn21 ZINC000826501624 608406064 /nfs/dbraw/zinc/40/60/64/608406064.db2.gz ZLRFEEQRGNZWQN-UHFFFAOYSA-N -1 3 389.719 0.387 20 5 GCBDHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000826397956 609261713 /nfs/dbraw/zinc/26/17/13/609261713.db2.gz NIKGDCXXFGOJTC-HNNXBMFYSA-N -1 3 381.352 0.788 20 5 GCBDHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000826397956 609261716 /nfs/dbraw/zinc/26/17/16/609261716.db2.gz NIKGDCXXFGOJTC-HNNXBMFYSA-N -1 3 381.352 0.788 20 5 GCBDHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000826438196 609431067 /nfs/dbraw/zinc/43/10/67/609431067.db2.gz RJSJKMSVTZXZMT-UHFFFAOYSA-N -1 3 398.339 0.741 20 5 GCBDHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000826438196 609431070 /nfs/dbraw/zinc/43/10/70/609431070.db2.gz RJSJKMSVTZXZMT-UHFFFAOYSA-N -1 3 398.339 0.741 20 5 GCBDHM O=C(NCCNc1ncccc1-c1nnn[n-]1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000826438267 609446902 /nfs/dbraw/zinc/44/69/02/609446902.db2.gz VLYMHQFCXLZVSI-UHFFFAOYSA-N -1 3 398.339 0.741 20 5 GCBDHM O=C(NCCNc1ncccc1-c1nn[n-]n1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000826438267 609446904 /nfs/dbraw/zinc/44/69/04/609446904.db2.gz VLYMHQFCXLZVSI-UHFFFAOYSA-N -1 3 398.339 0.741 20 5 GCBDHM CS(=O)(=O)CCOCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000742308254 640243188 /nfs/dbraw/zinc/24/31/88/640243188.db2.gz GJOKIWDLSXULSS-UHFFFAOYSA-N -1 3 386.835 0.588 20 5 GCBDHM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000853828754 642806219 /nfs/dbraw/zinc/80/62/19/642806219.db2.gz IVKVSTPSQQSHRT-GHMZBOCLSA-N -1 3 380.325 0.495 20 5 GCBDHM CN(C)C(=O)Cn1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000432758423 1192668723 /nfs/dbraw/zinc/66/87/23/1192668723.db2.gz NCDBYDWKCVGVOV-UHFFFAOYSA-N -1 3 381.414 0.864 20 5 GCBDHM O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCc1ncccc1[O-] ZINC000471900743 1186088765 /nfs/dbraw/zinc/08/87/65/1186088765.db2.gz RDFJMVYTNZJDAA-UHFFFAOYSA-N -1 3 395.397 0.473 20 5 GCBDHM NC(=O)[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000416427492 1189515991 /nfs/dbraw/zinc/51/59/91/1189515991.db2.gz MXYASJYQYXVOHS-WPRPVWTQSA-N -1 3 397.331 0.925 20 5 GCBDHM CCOC(=O)Cn1cnc([N-]C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)n1 ZINC000425102800 1194853756 /nfs/dbraw/zinc/85/37/56/1194853756.db2.gz GPUVMJWPVMPFQU-UHFFFAOYSA-N -1 3 397.369 0.405 20 5 GCBDHM O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1c([O-])cccc1O ZINC000436647642 1195021949 /nfs/dbraw/zinc/02/19/49/1195021949.db2.gz MQBCIMHKDXPKOY-UHFFFAOYSA-N -1 3 381.366 0.714 20 5 GCBDHM COCCN(C)CCN1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1=O ZINC000436755594 1195034552 /nfs/dbraw/zinc/03/45/52/1195034552.db2.gz NZRRNEWDHQANPW-GFCCVEGCSA-N -1 3 380.401 0.209 20 5 GCBDHM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000536420544 1195765548 /nfs/dbraw/zinc/76/55/48/1195765548.db2.gz LYAAPEHKZUWQBU-SSDOTTSWSA-N -1 3 396.324 0.841 20 5 GCBDHM COCCOc1cc([N+](=O)[O-])c(C(=O)NCCc2c(C)[n-][nH]c2=O)cc1OC ZINC000523688546 1196545874 /nfs/dbraw/zinc/54/58/74/1196545874.db2.gz OCJFPJMBMJNNBP-NSHDSACASA-N -1 3 394.384 0.870 20 5 GCBDHM Cc1nc(C)c(CC(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)c(=O)[n-]1 ZINC000593671760 1201022540 /nfs/dbraw/zinc/02/25/40/1201022540.db2.gz SYVRIHSPQFNRPT-UHFFFAOYSA-N -1 3 397.395 1.421 20 5 GCBDHM CC[C@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001190465469 1206035935 /nfs/dbraw/zinc/03/59/35/1206035935.db2.gz MDNSONAFMZEYST-SECBINFHSA-N -1 3 383.423 0.648 20 5 GCBDHM CN1CCN(c2ccc(CNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cn2)CC1 ZINC000821628863 945759051 /nfs/dbraw/zinc/75/90/51/945759051.db2.gz SLVFXWJPBWAULE-UHFFFAOYSA-N -1 3 396.415 0.929 20 5 GCBDHM C[C@@H](OC(=O)c1cc([N+](=O)[O-])cnc1N)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824723312 946913286 /nfs/dbraw/zinc/91/32/86/946913286.db2.gz PPYZSOKORJDIRI-MRVPVSSYSA-N -1 3 398.339 0.936 20 5 GCBDHM C[C@@H](OC(=O)c1cc([N+](=O)[O-])cnc1N)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824723312 946913294 /nfs/dbraw/zinc/91/32/94/946913294.db2.gz PPYZSOKORJDIRI-MRVPVSSYSA-N -1 3 398.339 0.936 20 5 GCBDHM Cn1cc([N+](=O)[O-])c(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)n1 ZINC000826362761 948135322 /nfs/dbraw/zinc/13/53/22/948135322.db2.gz HVDJASSPEPYNTF-UHFFFAOYSA-N -1 3 394.355 0.829 20 5 GCBDHM Cn1cc([N+](=O)[O-])c(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)n1 ZINC000826362761 948135330 /nfs/dbraw/zinc/13/53/30/948135330.db2.gz HVDJASSPEPYNTF-UHFFFAOYSA-N -1 3 394.355 0.829 20 5 GCBDHM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001595317200 980489602 /nfs/dbraw/zinc/48/96/02/980489602.db2.gz NNOPHVWKBRJLMR-NWDGAFQWSA-N -1 3 382.421 0.302 20 5 GCBDHM COC[C@@]1(CN(C)C)COCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599198641 997264293 /nfs/dbraw/zinc/26/42/93/997264293.db2.gz YJIHBNTWRUJRBZ-KRWDZBQOSA-N -1 3 381.385 0.712 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]CCC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000510394117 530137231 /nfs/dbraw/zinc/13/72/31/530137231.db2.gz OECVWWNZYWYTTK-UHFFFAOYSA-N -1 3 378.378 0.952 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CO)CCSC ZINC000469165465 530190074 /nfs/dbraw/zinc/19/00/74/530190074.db2.gz XRVXTUIJRTYDPL-VIFPVBQESA-N -1 3 378.428 0.774 20 5 GCBDHM O=C1CCOC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000599442525 530162516 /nfs/dbraw/zinc/16/25/16/530162516.db2.gz UXUGFPGQKJYENW-JTQLQIEISA-N -1 3 379.188 0.994 20 5 GCBDHM CS(=O)(=O)c1ccc(NCC[N-]S(=O)(=O)c2c[nH]cn2)c([N+](=O)[O-])c1 ZINC000609920844 530169381 /nfs/dbraw/zinc/16/93/81/530169381.db2.gz PJYDFHXZXIZZJV-UHFFFAOYSA-N -1 3 389.415 0.112 20 5 GCBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(O)CCS(=O)(=O)CC1 ZINC000560072667 530169731 /nfs/dbraw/zinc/16/97/31/530169731.db2.gz ZVUZCQXWXGVROP-UHFFFAOYSA-N -1 3 398.846 0.466 20 5 GCBDHM COCC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(N)=O ZINC000539384147 530252058 /nfs/dbraw/zinc/25/20/58/530252058.db2.gz FGZVQHBWTLNHJO-SNVBAGLBSA-N -1 3 396.219 0.526 20 5 GCBDHM CCS(=O)(=O)C[C@@H](C)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000538158992 530243959 /nfs/dbraw/zinc/24/39/59/530243959.db2.gz JYENTHSRNSAUGK-LLVKDONJSA-N -1 3 379.460 0.286 20 5 GCBDHM CN1C(=O)C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1=O ZINC000287588051 530252353 /nfs/dbraw/zinc/25/23/53/530252353.db2.gz YOADXQKHMARVDQ-QMMMGPOBSA-N -1 3 392.187 0.393 20 5 GCBDHM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000612631828 530270638 /nfs/dbraw/zinc/27/06/38/530270638.db2.gz ROGQOMJIFGITDU-SECBINFHSA-N -1 3 386.304 0.816 20 5 GCBDHM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000612632815 530270707 /nfs/dbraw/zinc/27/07/07/530270707.db2.gz LUEIWJPRFAFZHO-VIFPVBQESA-N -1 3 397.203 0.560 20 5 GCBDHM CC[C@@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451744420 530256337 /nfs/dbraw/zinc/25/63/37/530256337.db2.gz VXBISTUWZXIUAT-VIFPVBQESA-N -1 3 385.851 0.854 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(C)OCCO ZINC000288289643 530258923 /nfs/dbraw/zinc/25/89/23/530258923.db2.gz FTOCUVKEEDOTAU-UHFFFAOYSA-N -1 3 376.387 0.447 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCN2CCCS2(=O)=O)c(Cl)c1 ZINC000142765836 530302079 /nfs/dbraw/zinc/30/20/79/530302079.db2.gz DFDBSHJMXNOSII-UHFFFAOYSA-N -1 3 383.835 0.562 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCS(=O)(=O)NC2CC2)c(Cl)c1 ZINC000515706755 530309586 /nfs/dbraw/zinc/30/95/86/530309586.db2.gz BALJFSDHTBHBGH-UHFFFAOYSA-N -1 3 383.835 0.608 20 5 GCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000364154402 530309763 /nfs/dbraw/zinc/30/97/63/530309763.db2.gz FXVQEPHIKAZPBP-UHFFFAOYSA-N -1 3 389.455 0.830 20 5 GCBDHM C[C@H]1CCN(S(=O)(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000540878627 530312786 /nfs/dbraw/zinc/31/27/86/530312786.db2.gz PPSYUVZFTZLXHQ-NSHDSACASA-N -1 3 392.459 0.049 20 5 GCBDHM COCCOCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276255735 530331280 /nfs/dbraw/zinc/33/12/80/530331280.db2.gz SVBKZOOEILRXGX-UHFFFAOYSA-N -1 3 376.387 0.713 20 5 GCBDHM Cn1ncc(NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1=O ZINC000564135905 530350434 /nfs/dbraw/zinc/35/04/34/530350434.db2.gz ZLHVMXKLQCBMIZ-UHFFFAOYSA-N -1 3 387.805 0.732 20 5 GCBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CCN1CCSCC1)OCCO2 ZINC000264838442 530466252 /nfs/dbraw/zinc/46/62/52/530466252.db2.gz HXRLHMNQILBSIF-UHFFFAOYSA-N -1 3 389.455 0.693 20 5 GCBDHM CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000299457553 530501790 /nfs/dbraw/zinc/50/17/90/530501790.db2.gz ATGZALFAGHQWMK-UHFFFAOYSA-N -1 3 381.432 0.211 20 5 GCBDHM CCN(CC)S(=O)(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265274981 530527004 /nfs/dbraw/zinc/52/70/04/530527004.db2.gz GWNSETZUEBXQBI-UHFFFAOYSA-N -1 3 380.448 0.049 20 5 GCBDHM CC[C@H](C)CS(=O)(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265289354 530527247 /nfs/dbraw/zinc/52/72/47/530527247.db2.gz KEZNKIILDLDINN-NSHDSACASA-N -1 3 379.460 0.839 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000467059346 530570625 /nfs/dbraw/zinc/57/06/25/530570625.db2.gz TXBNMVJADMSHIO-MWLCHTKSSA-N -1 3 377.444 0.879 20 5 GCBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCCN2C(=O)CNC2=O)cc1[N+](=O)[O-] ZINC000267612721 530589302 /nfs/dbraw/zinc/58/93/02/530589302.db2.gz HYRAAFVPNRHLGI-UHFFFAOYSA-N -1 3 390.805 0.777 20 5 GCBDHM COc1ccc(S(=O)(=O)[N-]CC2(CS(C)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000267690907 530594211 /nfs/dbraw/zinc/59/42/11/530594211.db2.gz FVYGDMPUUGKYAK-UHFFFAOYSA-N -1 3 378.428 0.707 20 5 GCBDHM CS(=O)(=O)N1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000047543954 530585969 /nfs/dbraw/zinc/58/59/69/530585969.db2.gz RGDSMXDIQDYFDK-UHFFFAOYSA-N -1 3 397.862 0.951 20 5 GCBDHM CNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000588901665 530656869 /nfs/dbraw/zinc/65/68/69/530656869.db2.gz GEMUVIUMVSEVNA-JTQLQIEISA-N -1 3 395.434 0.889 20 5 GCBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2CC[C@@H](C(N)=O)O2)cc1[N+](=O)[O-] ZINC000268388666 530686346 /nfs/dbraw/zinc/68/63/46/530686346.db2.gz WPHJFDCFPKOITG-KCJUWKMLSA-N -1 3 377.806 0.868 20 5 GCBDHM Cc1cc(S(=O)(=O)[N-]CC2(C(N)=O)CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000590589410 530690572 /nfs/dbraw/zinc/69/05/72/530690572.db2.gz VLGBSISNCXYMKD-UHFFFAOYSA-N -1 3 375.378 0.603 20 5 GCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCCS(C)(=O)=O)c1C ZINC000268914330 530695457 /nfs/dbraw/zinc/69/54/57/530695457.db2.gz ZOKUVOAZLJLBLO-UHFFFAOYSA-N -1 3 380.444 0.551 20 5 GCBDHM CN1CC[C@@](O)(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000546574330 530696020 /nfs/dbraw/zinc/69/60/20/530696020.db2.gz KZOYWETVGKMMFU-GFCCVEGCSA-N -1 3 383.348 0.959 20 5 GCBDHM NS(=O)(=O)c1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000553566894 530802401 /nfs/dbraw/zinc/80/24/01/530802401.db2.gz KNQFQKUDAVRJIW-UHFFFAOYSA-N -1 3 389.386 0.860 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]CC[C@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000593662005 530824484 /nfs/dbraw/zinc/82/44/84/530824484.db2.gz YXUNNTMHMJHDAX-CQSZACIVSA-N -1 3 378.378 0.952 20 5 GCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1CCS(=O)(=O)CC1 ZINC000534411953 530903263 /nfs/dbraw/zinc/90/32/63/530903263.db2.gz UTKKSALQNWSNEO-UHFFFAOYSA-N -1 3 378.428 0.707 20 5 GCBDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H](C)O ZINC000275849870 530909210 /nfs/dbraw/zinc/90/92/10/530909210.db2.gz XCEJVOUVIITXLY-LDWIPMOCSA-N -1 3 386.304 0.814 20 5 GCBDHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H](C)O ZINC000275775467 530909462 /nfs/dbraw/zinc/90/94/62/530909462.db2.gz MQPRKRIGIBRECF-LHLIQPBNSA-N -1 3 397.203 0.558 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCS(C)(=O)=O ZINC000276232500 530910120 /nfs/dbraw/zinc/91/01/20/530910120.db2.gz OZIYVDNEPVNWLY-UHFFFAOYSA-N -1 3 380.400 0.094 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@]1(O)CCSC1 ZINC000276289361 530910174 /nfs/dbraw/zinc/91/01/74/530910174.db2.gz ZIHFHKNISBODJM-CYBMUJFWSA-N -1 3 376.412 0.528 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCN1CCSCC1 ZINC000276267235 530910573 /nfs/dbraw/zinc/91/05/73/530910573.db2.gz VCGJNJZNDGIAIE-UHFFFAOYSA-N -1 3 389.455 0.709 20 5 GCBDHM CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000594822783 530885685 /nfs/dbraw/zinc/88/56/85/530885685.db2.gz OUONSHYZZJYYBV-WDEREUQCSA-N -1 3 378.428 0.302 20 5 GCBDHM C[S@@](=O)C1(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000443082406 530889941 /nfs/dbraw/zinc/88/99/41/530889941.db2.gz AVPPCIAKSMRXCO-HSZRJFAPSA-N -1 3 376.412 0.555 20 5 GCBDHM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2ccc(Br)cn2)c1 ZINC000427774981 530896174 /nfs/dbraw/zinc/89/61/74/530896174.db2.gz AMHVBMOBPQPBPD-UHFFFAOYSA-N -1 3 376.192 0.927 20 5 GCBDHM COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619489245 530930017 /nfs/dbraw/zinc/93/00/17/530930017.db2.gz OQTNMLZIPKMFPC-AWEZNQCLSA-N -1 3 376.387 0.850 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000491237813 530930056 /nfs/dbraw/zinc/93/00/56/530930056.db2.gz STJYTYKXLYHALZ-MRVPVSSYSA-N -1 3 382.391 0.456 20 5 GCBDHM CSCC[C@@H](CO)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000443494622 530912706 /nfs/dbraw/zinc/91/27/06/530912706.db2.gz WLASOIVMGLCVSI-VIFPVBQESA-N -1 3 378.428 0.758 20 5 GCBDHM CCOC1CC(O)(C[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000277463873 530913630 /nfs/dbraw/zinc/91/36/30/530913630.db2.gz BOOBTKYRAUVFEG-UHFFFAOYSA-N -1 3 378.378 0.951 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000493659895 530934182 /nfs/dbraw/zinc/93/41/82/530934182.db2.gz QSMCBSNAGGZZOX-SECBINFHSA-N -1 3 396.418 0.988 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@]23NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000467081590 530914406 /nfs/dbraw/zinc/91/44/06/530914406.db2.gz AWKTYROYTAMDDK-ISVAXAHUSA-N -1 3 388.427 0.621 20 5 GCBDHM CCS(=O)(=O)N(C)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467413786 530915566 /nfs/dbraw/zinc/91/55/66/530915566.db2.gz YWXINSYOPKFDAO-UHFFFAOYSA-N -1 3 385.489 0.915 20 5 GCBDHM COCCOC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000469161460 530918295 /nfs/dbraw/zinc/91/82/95/530918295.db2.gz GCYDHNCHOUEGLR-JTQLQIEISA-N -1 3 376.387 0.711 20 5 GCBDHM CS(=O)(=O)C1(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000280276945 530919772 /nfs/dbraw/zinc/91/97/72/530919772.db2.gz PJEPOSZIJBBYFJ-UHFFFAOYSA-N -1 3 392.411 0.222 20 5 GCBDHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1=O ZINC000472759835 530924018 /nfs/dbraw/zinc/92/40/18/530924018.db2.gz NMBQUWCUHAELFM-SECBINFHSA-N -1 3 378.204 0.866 20 5 GCBDHM CNC(=O)Cn1cnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000460572765 530924025 /nfs/dbraw/zinc/92/40/25/530924025.db2.gz JWENSKYAEMJKDA-UHFFFAOYSA-N -1 3 383.162 0.947 20 5 GCBDHM C[C@@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000474312497 530925632 /nfs/dbraw/zinc/92/56/32/530925632.db2.gz TYBVPFUQVHSEMV-VIFPVBQESA-N -1 3 394.427 0.468 20 5 GCBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000030640364 530937514 /nfs/dbraw/zinc/93/75/14/530937514.db2.gz OKOJKHHCMCXDGQ-UHFFFAOYSA-N -1 3 397.185 0.866 20 5 GCBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000271868930 530938573 /nfs/dbraw/zinc/93/85/73/530938573.db2.gz GCIPYXFLYHMACQ-UHFFFAOYSA-N -1 3 377.806 0.694 20 5 GCBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCS(=O)(=O)NC2CC2)cc1C ZINC000497783655 530940219 /nfs/dbraw/zinc/94/02/19/530940219.db2.gz YLMJRBSRGRKPBA-UHFFFAOYSA-N -1 3 377.444 0.572 20 5 GCBDHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cc([N+](=O)[O-])n[nH]1 ZINC000557068400 530940374 /nfs/dbraw/zinc/94/03/74/530940374.db2.gz SSIUIKVSNKTCFZ-UHFFFAOYSA-N -1 3 391.768 0.819 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]CCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000275009997 530942680 /nfs/dbraw/zinc/94/26/80/530942680.db2.gz MWEYHOHFTVMVEN-UHFFFAOYSA-N -1 3 377.394 0.743 20 5 GCBDHM COC[C@H](CCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])OC ZINC000597894774 530957162 /nfs/dbraw/zinc/95/71/62/530957162.db2.gz UWKLQYCSWFTSPN-NSHDSACASA-N -1 3 375.403 0.041 20 5 GCBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCCN2CCNC(=O)C2)cc1[N+](=O)[O-] ZINC000272419188 530994126 /nfs/dbraw/zinc/99/41/26/530994126.db2.gz MLAXXAJFOZZYBV-UHFFFAOYSA-N -1 3 390.849 0.657 20 5 GCBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@]2(O)CCOC2)c1 ZINC000269993241 530987612 /nfs/dbraw/zinc/98/76/12/530987612.db2.gz PMWYUBGTFVCJGA-LLVKDONJSA-N -1 3 381.204 0.787 20 5 GCBDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(N)=O ZINC000416453195 531030717 /nfs/dbraw/zinc/03/07/17/531030717.db2.gz FXCOEIYKARCKJE-MRVPVSSYSA-N -1 3 385.320 0.782 20 5 GCBDHM CCN(CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)S(C)(=O)=O ZINC000055284869 531000100 /nfs/dbraw/zinc/00/01/00/531000100.db2.gz QVPPRXDEKYPIQE-UHFFFAOYSA-N -1 3 383.423 0.684 20 5 GCBDHM CC[C@@](COC)([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(=O)OC ZINC000416517850 531039204 /nfs/dbraw/zinc/03/92/04/531039204.db2.gz SNNJZDOIQXBXAQ-AWEZNQCLSA-N -1 3 376.387 0.850 20 5 GCBDHM CCO[C@H]1C[C@@H](O)C12CCN(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC000736615016 599047151 /nfs/dbraw/zinc/04/71/51/599047151.db2.gz WXGVCCPUXBHKRK-OLZOCXBDSA-N -1 3 375.389 0.926 20 5 GCBDHM CCO[C@H]1C[C@@H](O)C12CCN(c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)CC2 ZINC000736615016 599047154 /nfs/dbraw/zinc/04/71/54/599047154.db2.gz WXGVCCPUXBHKRK-OLZOCXBDSA-N -1 3 375.389 0.926 20 5 GCBDHM NS(=O)(=O)c1ccc(F)c(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737770762 599059739 /nfs/dbraw/zinc/05/97/39/599059739.db2.gz YXVXYLIJOVAVHM-UHFFFAOYSA-N -1 3 394.348 0.569 20 5 GCBDHM NS(=O)(=O)c1ccc(F)c(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737770762 599059742 /nfs/dbraw/zinc/05/97/42/599059742.db2.gz YXVXYLIJOVAVHM-UHFFFAOYSA-N -1 3 394.348 0.569 20 5 GCBDHM NC(=O)[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736026 599099271 /nfs/dbraw/zinc/09/92/71/599099271.db2.gz GTFMQRDGLOCXNB-OAHLLOKOSA-N -1 3 383.368 0.970 20 5 GCBDHM COCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989013 599115859 /nfs/dbraw/zinc/11/58/59/599115859.db2.gz UJJHVTJPASWSIY-UHFFFAOYSA-N -1 3 399.367 0.616 20 5 GCBDHM COCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989013 599115862 /nfs/dbraw/zinc/11/58/62/599115862.db2.gz UJJHVTJPASWSIY-UHFFFAOYSA-N -1 3 399.367 0.616 20 5 GCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737486132 599125977 /nfs/dbraw/zinc/12/59/77/599125977.db2.gz AYGAGJKQBWJSFA-ZDUSSCGKSA-N -1 3 386.328 0.050 20 5 GCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737486132 599125978 /nfs/dbraw/zinc/12/59/78/599125978.db2.gz AYGAGJKQBWJSFA-ZDUSSCGKSA-N -1 3 386.328 0.050 20 5 GCBDHM O=C(Nc1ccncc1-c1nnn[n-]1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000738196692 599253138 /nfs/dbraw/zinc/25/31/38/599253138.db2.gz ZJXCGUFAYBXZPB-UHFFFAOYSA-N -1 3 378.312 0.425 20 5 GCBDHM O=C(Nc1ccncc1-c1nn[n-]n1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000738196692 599253141 /nfs/dbraw/zinc/25/31/41/599253141.db2.gz ZJXCGUFAYBXZPB-UHFFFAOYSA-N -1 3 378.312 0.425 20 5 GCBDHM Cc1c(C(=O)Nc2ccncc2-c2nnn[n-]2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000737208784 599254058 /nfs/dbraw/zinc/25/40/58/599254058.db2.gz GBXIFOPOAQMEFC-UHFFFAOYSA-N -1 3 392.339 0.733 20 5 GCBDHM Cc1c(C(=O)Nc2ccncc2-c2nn[n-]n2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000737208784 599254061 /nfs/dbraw/zinc/25/40/61/599254061.db2.gz GBXIFOPOAQMEFC-UHFFFAOYSA-N -1 3 392.339 0.733 20 5 GCBDHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000737771744 598294755 /nfs/dbraw/zinc/29/47/55/598294755.db2.gz USNNHIJLSXEQND-UHFFFAOYSA-N -1 3 397.355 0.752 20 5 GCBDHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000737771744 598294757 /nfs/dbraw/zinc/29/47/57/598294757.db2.gz USNNHIJLSXEQND-UHFFFAOYSA-N -1 3 397.355 0.752 20 5 GCBDHM COc1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)cn2)c([N+](=O)[O-])c1 ZINC000737104242 598484413 /nfs/dbraw/zinc/48/44/13/598484413.db2.gz UVGYJKOOLKCJFR-UHFFFAOYSA-N -1 3 399.323 0.974 20 5 GCBDHM COc1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)cn2)c([N+](=O)[O-])c1 ZINC000737104242 598484415 /nfs/dbraw/zinc/48/44/15/598484415.db2.gz UVGYJKOOLKCJFR-UHFFFAOYSA-N -1 3 399.323 0.974 20 5 GCBDHM O=[N+]([O-])c1cnc(NCC2(O)CCC3(CC2)OCCO3)c(-c2nnn[n-]2)c1 ZINC000738374956 598501183 /nfs/dbraw/zinc/50/11/83/598501183.db2.gz VAZQYGHSRCXMOI-UHFFFAOYSA-N -1 3 377.361 0.630 20 5 GCBDHM O=[N+]([O-])c1cnc(NCC2(O)CCC3(CC2)OCCO3)c(-c2nn[n-]n2)c1 ZINC000738374956 598501184 /nfs/dbraw/zinc/50/11/84/598501184.db2.gz VAZQYGHSRCXMOI-UHFFFAOYSA-N -1 3 377.361 0.630 20 5 GCBDHM O=C(c1cccc(O)c1)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000738272342 598501486 /nfs/dbraw/zinc/50/14/86/598501486.db2.gz ARHHZFZVQSSZLP-UHFFFAOYSA-N -1 3 396.367 0.838 20 5 GCBDHM O=C(c1cccc(O)c1)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000738272342 598501488 /nfs/dbraw/zinc/50/14/88/598501488.db2.gz ARHHZFZVQSSZLP-UHFFFAOYSA-N -1 3 396.367 0.838 20 5 GCBDHM Cc1cc(C)n(C[C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CCO2)n1 ZINC000737254778 598502337 /nfs/dbraw/zinc/50/23/37/598502337.db2.gz DNKOHMTZYWWQNT-CYBMUJFWSA-N -1 3 385.388 0.889 20 5 GCBDHM Cc1cc(C)n(C[C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CCO2)n1 ZINC000737254778 598502339 /nfs/dbraw/zinc/50/23/39/598502339.db2.gz DNKOHMTZYWWQNT-CYBMUJFWSA-N -1 3 385.388 0.889 20 5 GCBDHM CCN(C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC000736512981 598556438 /nfs/dbraw/zinc/55/64/38/598556438.db2.gz UWODSDKDIWVYKM-UHFFFAOYSA-N -1 3 396.433 0.420 20 5 GCBDHM CCN(C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC000736512981 598556440 /nfs/dbraw/zinc/55/64/40/598556440.db2.gz UWODSDKDIWVYKM-UHFFFAOYSA-N -1 3 396.433 0.420 20 5 GCBDHM O=[N+]([O-])c1ccc(NCCS(=O)(=O)NCC2CCC2)c(-c2nnn[n-]2)c1 ZINC000738371588 598593172 /nfs/dbraw/zinc/59/31/72/598593172.db2.gz SWZKFGLAFACIFW-UHFFFAOYSA-N -1 3 381.418 0.906 20 5 GCBDHM O=[N+]([O-])c1ccc(NCCS(=O)(=O)NCC2CCC2)c(-c2nn[n-]n2)c1 ZINC000738371588 598593173 /nfs/dbraw/zinc/59/31/73/598593173.db2.gz SWZKFGLAFACIFW-UHFFFAOYSA-N -1 3 381.418 0.906 20 5 GCBDHM O=[N+]([O-])c1cnc(NCCS(=O)(=O)NCC2CCC2)c(-c2nnn[n-]2)c1 ZINC000738373424 598593324 /nfs/dbraw/zinc/59/33/24/598593324.db2.gz CLDQCTZEBCMUAL-UHFFFAOYSA-N -1 3 382.406 0.301 20 5 GCBDHM O=[N+]([O-])c1cnc(NCCS(=O)(=O)NCC2CCC2)c(-c2nn[n-]n2)c1 ZINC000738373424 598593326 /nfs/dbraw/zinc/59/33/26/598593326.db2.gz CLDQCTZEBCMUAL-UHFFFAOYSA-N -1 3 382.406 0.301 20 5 GCBDHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000737770453 598606137 /nfs/dbraw/zinc/60/61/37/598606137.db2.gz IZIFJJLLTNUTAY-UHFFFAOYSA-N -1 3 387.360 0.599 20 5 GCBDHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000737770453 598606139 /nfs/dbraw/zinc/60/61/39/598606139.db2.gz IZIFJJLLTNUTAY-UHFFFAOYSA-N -1 3 387.360 0.599 20 5 GCBDHM CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1[N+](=O)[O-] ZINC000737174214 598662495 /nfs/dbraw/zinc/66/24/95/598662495.db2.gz SJHDUMBJNBRACR-UHFFFAOYSA-N -1 3 389.353 0.826 20 5 GCBDHM CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1[N+](=O)[O-] ZINC000737174214 598662497 /nfs/dbraw/zinc/66/24/97/598662497.db2.gz SJHDUMBJNBRACR-UHFFFAOYSA-N -1 3 389.353 0.826 20 5 GCBDHM NC(=O)CNC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737754625 599349549 /nfs/dbraw/zinc/34/95/49/599349549.db2.gz YKJIBDVLIBSWSB-UHFFFAOYSA-N -1 3 383.324 0.782 20 5 GCBDHM NC(=O)CNC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737754625 599349551 /nfs/dbraw/zinc/34/95/51/599349551.db2.gz YKJIBDVLIBSWSB-UHFFFAOYSA-N -1 3 383.324 0.782 20 5 GCBDHM O=[N+]([O-])c1cccc(S(=O)(=O)NCCNCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000823647643 599418251 /nfs/dbraw/zinc/41/82/51/599418251.db2.gz NSZBBLGDJPFWSK-UHFFFAOYSA-N -1 3 393.385 0.436 20 5 GCBDHM O=[N+]([O-])c1cccc(S(=O)(=O)NCCNCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000823647643 599418253 /nfs/dbraw/zinc/41/82/53/599418253.db2.gz NSZBBLGDJPFWSK-UHFFFAOYSA-N -1 3 393.385 0.436 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000823118635 599654013 /nfs/dbraw/zinc/65/40/13/599654013.db2.gz JNBHHZISPKGOAM-UHFFFAOYSA-N -1 3 397.311 0.765 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823118635 599654014 /nfs/dbraw/zinc/65/40/14/599654014.db2.gz JNBHHZISPKGOAM-UHFFFAOYSA-N -1 3 397.311 0.765 20 5 GCBDHM Cn1ccnc(N2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)c1=O ZINC000822693915 599686716 /nfs/dbraw/zinc/68/67/16/599686716.db2.gz OGTZKAKUUHSHAG-UHFFFAOYSA-N -1 3 383.372 0.195 20 5 GCBDHM Cn1ccnc(N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)c1=O ZINC000822693915 599686717 /nfs/dbraw/zinc/68/67/17/599686717.db2.gz OGTZKAKUUHSHAG-UHFFFAOYSA-N -1 3 383.372 0.195 20 5 GCBDHM CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737348667 599800458 /nfs/dbraw/zinc/80/04/58/599800458.db2.gz SZLPPHAIMWODSO-OAHLLOKOSA-N -1 3 392.412 0.966 20 5 GCBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000821745191 607415519 /nfs/dbraw/zinc/41/55/19/607415519.db2.gz JGYWCGWZWDFYAV-UHFFFAOYSA-N -1 3 386.324 0.689 20 5 GCBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000821745191 607415521 /nfs/dbraw/zinc/41/55/21/607415521.db2.gz JGYWCGWZWDFYAV-UHFFFAOYSA-N -1 3 386.324 0.689 20 5 GCBDHM CCn1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2OC)c([N+](=O)[O-])n1 ZINC000821566631 607444887 /nfs/dbraw/zinc/44/48/87/607444887.db2.gz MYUMSXMRTBMLQW-UHFFFAOYSA-N -1 3 395.357 0.768 20 5 GCBDHM CCn1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2OC)c([N+](=O)[O-])n1 ZINC000821566631 607444888 /nfs/dbraw/zinc/44/48/88/607444888.db2.gz MYUMSXMRTBMLQW-UHFFFAOYSA-N -1 3 395.357 0.768 20 5 GCBDHM C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)N(C)C1CC1 ZINC000824429831 607606298 /nfs/dbraw/zinc/60/62/98/607606298.db2.gz ZEXCUSCQJORZOB-SECBINFHSA-N -1 3 381.418 0.536 20 5 GCBDHM CCN1CCCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000825458731 607612762 /nfs/dbraw/zinc/61/27/62/607612762.db2.gz DXHHQCBLJRKTRN-LLVKDONJSA-N -1 3 395.445 0.928 20 5 GCBDHM C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCN1C ZINC000824886407 607645328 /nfs/dbraw/zinc/64/53/28/607645328.db2.gz YMMDJWCULYBFGU-MNOVXSKESA-N -1 3 395.445 0.878 20 5 GCBDHM Cc1cccc(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)c1-c1nnn[n-]1 ZINC000826303290 607676324 /nfs/dbraw/zinc/67/63/24/607676324.db2.gz IQMKKFOTZQJLEI-UHFFFAOYSA-N -1 3 378.374 0.258 20 5 GCBDHM Cc1cccc(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)c1-c1nn[n-]n1 ZINC000826303290 607676326 /nfs/dbraw/zinc/67/63/26/607676326.db2.gz IQMKKFOTZQJLEI-UHFFFAOYSA-N -1 3 378.374 0.258 20 5 GCBDHM O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826500829 607677618 /nfs/dbraw/zinc/67/76/18/607677618.db2.gz NVNXPSFVZHZOAL-UHFFFAOYSA-N -1 3 398.792 0.603 20 5 GCBDHM O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826500829 607677620 /nfs/dbraw/zinc/67/76/20/607677620.db2.gz NVNXPSFVZHZOAL-UHFFFAOYSA-N -1 3 398.792 0.603 20 5 GCBDHM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826424198 607696329 /nfs/dbraw/zinc/69/63/29/607696329.db2.gz AKECZDDSHUPTBP-UHFFFAOYSA-N -1 3 385.340 0.132 20 5 GCBDHM COc1ccc(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826197646 607711749 /nfs/dbraw/zinc/71/17/49/607711749.db2.gz XVZBGMFCNONJAZ-UHFFFAOYSA-N -1 3 385.340 0.262 20 5 GCBDHM COc1ccc(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826197646 607711750 /nfs/dbraw/zinc/71/17/50/607711750.db2.gz XVZBGMFCNONJAZ-UHFFFAOYSA-N -1 3 385.340 0.262 20 5 GCBDHM CN1C(=O)N[C@@]2(CCC[C@H]2CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1=O ZINC000821620286 606422126 /nfs/dbraw/zinc/42/21/26/606422126.db2.gz DORREBIRMLGIEB-MGPLVRAMSA-N -1 3 386.372 0.907 20 5 GCBDHM CN1C(=O)N[C@@]2(CCC[C@H]2CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1=O ZINC000821620286 606422128 /nfs/dbraw/zinc/42/21/28/606422128.db2.gz DORREBIRMLGIEB-MGPLVRAMSA-N -1 3 386.372 0.907 20 5 GCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000823135962 606559504 /nfs/dbraw/zinc/55/95/04/606559504.db2.gz CRVBDKKWBKDAIN-UHFFFAOYSA-N -1 3 396.270 0.711 20 5 GCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000823135962 606559505 /nfs/dbraw/zinc/55/95/05/606559505.db2.gz CRVBDKKWBKDAIN-UHFFFAOYSA-N -1 3 396.270 0.711 20 5 GCBDHM O=[N+]([O-])c1cnc(N2CCO[C@H](CNc3cccnn3)C2)c(-c2nnn[n-]2)c1 ZINC000823651125 606789475 /nfs/dbraw/zinc/78/94/75/606789475.db2.gz GORBVLRPFJLWAL-LLVKDONJSA-N -1 3 384.360 0.277 20 5 GCBDHM O=[N+]([O-])c1cnc(N2CCO[C@H](CNc3cccnn3)C2)c(-c2nn[n-]n2)c1 ZINC000823651125 606789477 /nfs/dbraw/zinc/78/94/77/606789477.db2.gz GORBVLRPFJLWAL-LLVKDONJSA-N -1 3 384.360 0.277 20 5 GCBDHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821932431 606807999 /nfs/dbraw/zinc/80/79/99/606807999.db2.gz MDUFGMQSXDHJGE-MNOVXSKESA-N -1 3 381.418 0.905 20 5 GCBDHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821932431 606808000 /nfs/dbraw/zinc/80/80/00/606808000.db2.gz MDUFGMQSXDHJGE-MNOVXSKESA-N -1 3 381.418 0.905 20 5 GCBDHM Nc1c(C(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000822904276 607004386 /nfs/dbraw/zinc/00/43/86/607004386.db2.gz UVAFGJTXCSDLHR-UHFFFAOYSA-N -1 3 397.351 0.830 20 5 GCBDHM Nc1c(C(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000822904276 607004388 /nfs/dbraw/zinc/00/43/88/607004388.db2.gz UVAFGJTXCSDLHR-UHFFFAOYSA-N -1 3 397.351 0.830 20 5 GCBDHM O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000443019780 607230545 /nfs/dbraw/zinc/23/05/45/607230545.db2.gz DVABDPZVKSTIKT-UHFFFAOYSA-N -1 3 398.792 0.603 20 5 GCBDHM O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000443019780 607230546 /nfs/dbraw/zinc/23/05/46/607230546.db2.gz DVABDPZVKSTIKT-UHFFFAOYSA-N -1 3 398.792 0.603 20 5 GCBDHM CCn1cc(S(=O)(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])n1 ZINC000825804978 607851771 /nfs/dbraw/zinc/85/17/71/607851771.db2.gz MTKZSQWDNVIKOQ-UHFFFAOYSA-N -1 3 392.401 0.812 20 5 GCBDHM CCn1cc(S(=O)(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])n1 ZINC000825804978 607851772 /nfs/dbraw/zinc/85/17/72/607851772.db2.gz MTKZSQWDNVIKOQ-UHFFFAOYSA-N -1 3 392.401 0.812 20 5 GCBDHM O=[N+]([O-])c1cnc2ccc(N3CCN(c4ncccc4-c4nnn[n-]4)CC3)nn21 ZINC000826500619 607988749 /nfs/dbraw/zinc/98/87/49/607988749.db2.gz FNCHSLXYSAWJOJ-UHFFFAOYSA-N -1 3 393.371 0.539 20 5 GCBDHM O=[N+]([O-])c1cnc2ccc(N3CCN(c4ncccc4-c4nn[n-]n4)CC3)nn21 ZINC000826500619 607988750 /nfs/dbraw/zinc/98/87/50/607988750.db2.gz FNCHSLXYSAWJOJ-UHFFFAOYSA-N -1 3 393.371 0.539 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826424457 608086426 /nfs/dbraw/zinc/08/64/26/608086426.db2.gz NBFCBVMKWSYZTK-AWEZNQCLSA-N -1 3 384.356 0.572 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826424457 608086427 /nfs/dbraw/zinc/08/64/27/608086427.db2.gz NBFCBVMKWSYZTK-AWEZNQCLSA-N -1 3 384.356 0.572 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826424458 608086657 /nfs/dbraw/zinc/08/66/57/608086657.db2.gz NBFCBVMKWSYZTK-CQSZACIVSA-N -1 3 384.356 0.572 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826424458 608086658 /nfs/dbraw/zinc/08/66/58/608086658.db2.gz NBFCBVMKWSYZTK-CQSZACIVSA-N -1 3 384.356 0.572 20 5 GCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826425786 608163373 /nfs/dbraw/zinc/16/33/73/608163373.db2.gz TWOHTCWSNMDIQG-UHFFFAOYSA-N -1 3 394.695 0.567 20 5 GCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826425786 608163374 /nfs/dbraw/zinc/16/33/74/608163374.db2.gz TWOHTCWSNMDIQG-UHFFFAOYSA-N -1 3 394.695 0.567 20 5 GCBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826423128 608164184 /nfs/dbraw/zinc/16/41/84/608164184.db2.gz ZOAFXBOQYYXPCJ-DOTOQJQBSA-N -1 3 398.379 0.528 20 5 GCBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826423128 608164186 /nfs/dbraw/zinc/16/41/86/608164186.db2.gz ZOAFXBOQYYXPCJ-DOTOQJQBSA-N -1 3 398.379 0.528 20 5 GCBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826423129 608164268 /nfs/dbraw/zinc/16/42/68/608164268.db2.gz ZOAFXBOQYYXPCJ-NVXWUHKLSA-N -1 3 398.379 0.528 20 5 GCBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826423129 608164270 /nfs/dbraw/zinc/16/42/70/608164270.db2.gz ZOAFXBOQYYXPCJ-NVXWUHKLSA-N -1 3 398.379 0.528 20 5 GCBDHM Cn1cc([N+](=O)[O-])c(C(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000826362613 608223318 /nfs/dbraw/zinc/22/33/18/608223318.db2.gz AOFOLAGIAIYJGZ-UHFFFAOYSA-N -1 3 397.399 0.861 20 5 GCBDHM Cn1cc([N+](=O)[O-])c(C(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000826362613 608223319 /nfs/dbraw/zinc/22/33/19/608223319.db2.gz AOFOLAGIAIYJGZ-UHFFFAOYSA-N -1 3 397.399 0.861 20 5 GCBDHM COC(=O)[C@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000826117020 608254407 /nfs/dbraw/zinc/25/44/07/608254407.db2.gz GYSXQYOSTJTOPN-GFCCVEGCSA-N -1 3 387.312 0.580 20 5 GCBDHM COC(=O)[C@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000826117020 608254409 /nfs/dbraw/zinc/25/44/09/608254409.db2.gz GYSXQYOSTJTOPN-GFCCVEGCSA-N -1 3 387.312 0.580 20 5 GCBDHM C[C@@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824727558 608254422 /nfs/dbraw/zinc/25/44/22/608254422.db2.gz BLGLWLVNLVQCKG-MRVPVSSYSA-N -1 3 386.328 0.692 20 5 GCBDHM C[C@@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824727558 608254423 /nfs/dbraw/zinc/25/44/23/608254423.db2.gz BLGLWLVNLVQCKG-MRVPVSSYSA-N -1 3 386.328 0.692 20 5 GCBDHM COC(=O)[C@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000826117826 608254886 /nfs/dbraw/zinc/25/48/86/608254886.db2.gz SKAFBPIDOCAUSD-GFCCVEGCSA-N -1 3 387.312 0.580 20 5 GCBDHM COC(=O)[C@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000826117826 608254888 /nfs/dbraw/zinc/25/48/88/608254888.db2.gz SKAFBPIDOCAUSD-GFCCVEGCSA-N -1 3 387.312 0.580 20 5 GCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826366758 608327289 /nfs/dbraw/zinc/32/72/89/608327289.db2.gz WEABFBOTVLPDAO-UHFFFAOYSA-N -1 3 397.399 0.466 20 5 GCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826366758 608327291 /nfs/dbraw/zinc/32/72/91/608327291.db2.gz WEABFBOTVLPDAO-UHFFFAOYSA-N -1 3 397.399 0.466 20 5 GCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826366390 608376423 /nfs/dbraw/zinc/37/64/23/608376423.db2.gz GEECUTNJLHYEGK-GFCCVEGCSA-N -1 3 398.339 0.471 20 5 GCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826366390 608376425 /nfs/dbraw/zinc/37/64/25/608376425.db2.gz GEECUTNJLHYEGK-GFCCVEGCSA-N -1 3 398.339 0.471 20 5 GCBDHM NC(=O)[C@H](OC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000826388678 609349981 /nfs/dbraw/zinc/34/99/81/609349981.db2.gz GQJLRSDTCFCHNN-CYBMUJFWSA-N -1 3 383.324 0.741 20 5 GCBDHM NC(=O)[C@H](OC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000826388678 609349982 /nfs/dbraw/zinc/34/99/82/609349982.db2.gz GQJLRSDTCFCHNN-CYBMUJFWSA-N -1 3 383.324 0.741 20 5 GCBDHM Nc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826396127 609350047 /nfs/dbraw/zinc/35/00/47/609350047.db2.gz IAJVXDIKTZKADR-UHFFFAOYSA-N -1 3 397.351 0.830 20 5 GCBDHM Nc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826396127 609350049 /nfs/dbraw/zinc/35/00/49/609350049.db2.gz IAJVXDIKTZKADR-UHFFFAOYSA-N -1 3 397.351 0.830 20 5 GCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000826497321 609367946 /nfs/dbraw/zinc/36/79/46/609367946.db2.gz CIASXMGJCLLBIZ-UHFFFAOYSA-N -1 3 393.429 0.826 20 5 GCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000826497321 609367950 /nfs/dbraw/zinc/36/79/50/609367950.db2.gz CIASXMGJCLLBIZ-UHFFFAOYSA-N -1 3 393.429 0.826 20 5 GCBDHM O=C(COC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000826414546 609629595 /nfs/dbraw/zinc/62/95/95/609629595.db2.gz AUYRWMIMGIKSTM-OAHLLOKOSA-N -1 3 398.335 0.990 20 5 GCBDHM O=C(COC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000826414546 609629597 /nfs/dbraw/zinc/62/95/97/609629597.db2.gz AUYRWMIMGIKSTM-OAHLLOKOSA-N -1 3 398.335 0.990 20 5 GCBDHM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826464484 609632991 /nfs/dbraw/zinc/63/29/91/609632991.db2.gz YCZHASJJRQKUQD-AWEZNQCLSA-N -1 3 386.324 0.213 20 5 GCBDHM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826464484 609632993 /nfs/dbraw/zinc/63/29/93/609632993.db2.gz YCZHASJJRQKUQD-AWEZNQCLSA-N -1 3 386.324 0.213 20 5 GCBDHM CC[N@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000262460876 639083042 /nfs/dbraw/zinc/08/30/42/639083042.db2.gz JXJVWTWZAMVGBB-UHFFFAOYSA-N -1 3 375.378 0.950 20 5 GCBDHM CC[N@@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000262460876 639083048 /nfs/dbraw/zinc/08/30/48/639083048.db2.gz JXJVWTWZAMVGBB-UHFFFAOYSA-N -1 3 375.378 0.950 20 5 GCBDHM CNC(=O)Cn1cnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Br)n1 ZINC000741996628 640231690 /nfs/dbraw/zinc/23/16/90/640231690.db2.gz LBIKLPCWHGAXON-UHFFFAOYSA-N -1 3 383.162 0.947 20 5 GCBDHM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(N)=O ZINC000758482042 640530640 /nfs/dbraw/zinc/53/06/40/640530640.db2.gz GNXUANZDCPKBBC-QMMMGPOBSA-N -1 3 382.192 0.136 20 5 GCBDHM CNS(=O)(=O)c1cccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c1 ZINC000759168769 640544488 /nfs/dbraw/zinc/54/44/88/640544488.db2.gz RTEHMNDYIHHXSL-UHFFFAOYSA-N -1 3 387.399 0.203 20 5 GCBDHM COCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(N)=O ZINC000775741646 641084302 /nfs/dbraw/zinc/08/43/02/641084302.db2.gz PKQDBWAEPADDGM-VIFPVBQESA-N -1 3 396.219 0.526 20 5 GCBDHM COC(=O)NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000832615761 642193988 /nfs/dbraw/zinc/19/39/88/642193988.db2.gz CHQBXEKCCKBVMN-UHFFFAOYSA-N -1 3 382.192 0.992 20 5 GCBDHM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000547776923 1184548203 /nfs/dbraw/zinc/54/82/03/1184548203.db2.gz SNUINIMGABTGPX-UHFFFAOYSA-N -1 3 381.352 0.821 20 5 GCBDHM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000547776923 1184548212 /nfs/dbraw/zinc/54/82/12/1184548212.db2.gz SNUINIMGABTGPX-UHFFFAOYSA-N -1 3 381.352 0.821 20 5 GCBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cnn(C)c1 ZINC000610269840 1184715508 /nfs/dbraw/zinc/71/55/08/1184715508.db2.gz MTISUEVHXYYLCK-NHYWBVRUSA-N -1 3 393.425 0.942 20 5 GCBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000477987416 1186259413 /nfs/dbraw/zinc/25/94/13/1186259413.db2.gz OZRQAHUMICUXID-UHFFFAOYSA-N -1 3 388.262 0.995 20 5 GCBDHM O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(O)cc1[O-] ZINC000436616777 1195018930 /nfs/dbraw/zinc/01/89/30/1195018930.db2.gz GDANIMDRLMPYEU-UHFFFAOYSA-N -1 3 381.366 0.714 20 5 GCBDHM COCCN(C)CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1=O ZINC000436747885 1195033341 /nfs/dbraw/zinc/03/33/41/1195033341.db2.gz PLBQSFMUNHMABV-LBPRGKRZSA-N -1 3 380.401 0.209 20 5 GCBDHM O=C1CNC(=O)N1CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416384863 1195595448 /nfs/dbraw/zinc/59/54/48/1195595448.db2.gz FKIMUJHWACVCCI-UHFFFAOYSA-N -1 3 396.303 0.444 20 5 GCBDHM Cn1c(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000441378008 1195629616 /nfs/dbraw/zinc/62/96/16/1195629616.db2.gz CLJRBENHNVLCPZ-UHFFFAOYSA-N -1 3 388.352 0.920 20 5 GCBDHM CN(C)CCCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000274761169 1195789423 /nfs/dbraw/zinc/78/94/23/1195789423.db2.gz INAYVZZKASDAPI-CYBMUJFWSA-N -1 3 385.442 0.881 20 5 GCBDHM NC(=O)C1=NO[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000281560994 1196308878 /nfs/dbraw/zinc/30/88/78/1196308878.db2.gz UPEQCHUJEYXEDJ-SSDOTTSWSA-N -1 3 396.303 0.522 20 5 GCBDHM Cc1ncc(CNC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000444364657 1196424789 /nfs/dbraw/zinc/42/47/89/1196424789.db2.gz RZLXEWOBRACNTM-UHFFFAOYSA-N -1 3 385.336 0.982 20 5 GCBDHM O=C(CNC(=O)Cc1ccccc1[N+](=O)[O-])Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000143335355 1196452644 /nfs/dbraw/zinc/45/26/44/1196452644.db2.gz OQTZPIVFYITULB-UHFFFAOYSA-N -1 3 397.347 0.422 20 5 GCBDHM COCCOc1cc([N+](=O)[O-])c(C(=O)NCCc2c(C)[n-][nH]c2=O)cc1OC ZINC000523688545 1196545806 /nfs/dbraw/zinc/54/58/06/1196545806.db2.gz OCJFPJMBMJNNBP-LLVKDONJSA-N -1 3 394.384 0.870 20 5 GCBDHM COc1c(C)cnc(Cn2cnc([N-]C(=O)c3c([N+](=O)[O-])cnn3C)n2)c1C ZINC000447700982 1196741929 /nfs/dbraw/zinc/74/19/29/1196741929.db2.gz OVUGSYCDUWJQOT-UHFFFAOYSA-N -1 3 386.372 1.241 20 5 GCBDHM CCn1cc(S(=O)(=O)[N-]C2CCN(CCOC(C)C)CC2)c([N+](=O)[O-])n1 ZINC000533174561 1197436212 /nfs/dbraw/zinc/43/62/12/1197436212.db2.gz RXFXNTAUOFFGIP-UHFFFAOYSA-N -1 3 389.478 0.979 20 5 GCBDHM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2ncn(CC(=O)N(C)C)n2)cc1[N+](=O)[O-] ZINC000741970432 1201787383 /nfs/dbraw/zinc/78/73/83/1201787383.db2.gz GDEAMNZZSZRZOA-UHFFFAOYSA-N -1 3 377.317 0.743 20 5 GCBDHM Cc1cc(S(=O)(=O)[N-]C2CC[NH+](CC(=O)[O-])CC2)c(F)cc1[N+](=O)[O-] ZINC001594328897 958200376 /nfs/dbraw/zinc/20/03/76/958200376.db2.gz BFVWJRNPWASSAL-UHFFFAOYSA-N -1 3 375.378 0.870 20 5 GCBDHM 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GCBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000465501280 530470646 /nfs/dbraw/zinc/47/06/46/530470646.db2.gz UDKMADWOLHPYJL-RYUDHWBXSA-N -1 3 391.471 0.899 20 5 GCBDHM CN(C)S(=O)(=O)C[C@H]([N-]c1nccc(C(N)=O)c1[N+](=O)[O-])C(F)(F)F ZINC000291081956 530486281 /nfs/dbraw/zinc/48/62/81/530486281.db2.gz IFYAAUUFWLLSKP-ZETCQYMHSA-N -1 3 385.324 0.323 20 5 GCBDHM O=C(CN1CCSC1=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265279000 530527093 /nfs/dbraw/zinc/52/70/93/530527093.db2.gz QXFUIQADLFPZNA-UHFFFAOYSA-N -1 3 388.427 0.158 20 5 GCBDHM CC[C@@H](C)CS(=O)(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265289351 530527249 /nfs/dbraw/zinc/52/72/49/530527249.db2.gz KEZNKIILDLDINN-LLVKDONJSA-N -1 3 379.460 0.839 20 5 GCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCCCS1(=O)=O ZINC000544103817 530570528 /nfs/dbraw/zinc/57/05/28/530570528.db2.gz ZEGKFDBBJSWGNQ-LLVKDONJSA-N -1 3 378.428 0.849 20 5 GCBDHM 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DBQJMPFGEBOVSO-MRVPVSSYSA-N -1 3 380.400 0.093 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCS(=O)(=O)C2)cc1Br ZINC000298842789 530846503 /nfs/dbraw/zinc/84/65/03/530846503.db2.gz HWIVYJFPSJZTFY-SSDOTTSWSA-N -1 3 399.244 0.823 20 5 GCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNS(=O)(=O)c1cccs1 ZINC000523939761 530862603 /nfs/dbraw/zinc/86/26/03/530862603.db2.gz ALRJOUDHOLSWBO-UHFFFAOYSA-N -1 3 391.452 0.913 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000548297608 530863210 /nfs/dbraw/zinc/86/32/10/530863210.db2.gz IQRQKXJNOFEERS-UHFFFAOYSA-N -1 3 396.418 0.846 20 5 GCBDHM O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1SCCS1 ZINC000270529009 530867540 /nfs/dbraw/zinc/86/75/40/530867540.db2.gz TWHQCAABFLGVSU-UHFFFAOYSA-N -1 3 377.469 0.795 20 5 GCBDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H](C)O ZINC000275689732 530909312 /nfs/dbraw/zinc/90/93/12/530909312.db2.gz DICYFKGCCJIRSC-LDWIPMOCSA-N -1 3 397.203 0.558 20 5 GCBDHM COCCN1CC[C@@H]([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000275737875 530909489 /nfs/dbraw/zinc/90/94/89/530909489.db2.gz YXESJZCAMMWHKM-SNVBAGLBSA-N -1 3 377.394 0.742 20 5 GCBDHM C[C@@]1([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000594742924 530878531 /nfs/dbraw/zinc/87/85/31/530878531.db2.gz CJMQLRFVLDRTED-CQSZACIVSA-N -1 3 385.423 0.999 20 5 GCBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C[C@H]1CCS(=O)(=O)C1 ZINC000594748069 530879350 /nfs/dbraw/zinc/87/93/50/530879350.db2.gz ZXLLOSFBUKJASW-SNVBAGLBSA-N -1 3 385.423 0.856 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@]1(C)CCS(=O)(=O)C1 ZINC000276211360 530910615 /nfs/dbraw/zinc/91/06/15/530910615.db2.gz LHMSIGIGIKUBCB-ZDUSSCGKSA-N -1 3 392.411 0.237 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCSCCCO ZINC000276213039 530910679 /nfs/dbraw/zinc/91/06/79/530910679.db2.gz LMTPCSYTCJKDDY-UHFFFAOYSA-N -1 3 378.428 0.775 20 5 GCBDHM NS(=O)(=O)CCCC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594776660 530882095 /nfs/dbraw/zinc/88/20/95/530882095.db2.gz JDNGLWAIIFCOSK-UHFFFAOYSA-N -1 3 388.427 0.490 20 5 GCBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCN(S(C)(=O)=O)C2)c1[N+](=O)[O-] ZINC000276823501 530910861 /nfs/dbraw/zinc/91/08/61/530910861.db2.gz NNPNXHDBXQTPOG-LBPRGKRZSA-N -1 3 391.471 0.771 20 5 GCBDHM CS(=O)(=O)CCCC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000425184363 530890984 /nfs/dbraw/zinc/89/09/84/530890984.db2.gz OOIMLKQYTOLPAW-UHFFFAOYSA-N -1 3 394.427 0.469 20 5 GCBDHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NCCn1cc([N+](=O)[O-])cn1 ZINC000427595060 530896342 /nfs/dbraw/zinc/89/63/42/530896342.db2.gz SHBPGWCZPKGVEP-UHFFFAOYSA-N -1 3 393.834 0.601 20 5 GCBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(S(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000299205886 530896801 /nfs/dbraw/zinc/89/68/01/530896801.db2.gz IYRHRQSXJFSOSB-SNVBAGLBSA-N -1 3 393.443 0.306 20 5 GCBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCN(S(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000299205883 530897071 /nfs/dbraw/zinc/89/70/71/530897071.db2.gz IYRHRQSXJFSOSB-JTQLQIEISA-N -1 3 393.443 0.306 20 5 GCBDHM CN(CCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CC(F)F ZINC000600802441 530931913 /nfs/dbraw/zinc/93/19/13/530931913.db2.gz PEWYGVRLVIZGNZ-UHFFFAOYSA-N -1 3 380.373 0.186 20 5 GCBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN2CCS(=O)(=O)CC2)cc1C ZINC000502668812 530933316 /nfs/dbraw/zinc/93/33/16/530933316.db2.gz OLDGFXDUUYVASA-UHFFFAOYSA-N -1 3 391.471 0.220 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-]CC2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000467047973 530913794 /nfs/dbraw/zinc/91/37/94/530913794.db2.gz SQPPEUNMNWVSTC-UHFFFAOYSA-N -1 3 397.500 0.915 20 5 GCBDHM O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NC1CC(F)(F)C1 ZINC000277369852 530913804 /nfs/dbraw/zinc/91/38/04/530913804.db2.gz BNUZXEHUCKYTSW-UHFFFAOYSA-N -1 3 378.357 0.970 20 5 GCBDHM CCN(CC)S(=O)(=O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467425189 530915707 /nfs/dbraw/zinc/91/57/07/530915707.db2.gz YHJHPLMNIDNOIE-UHFFFAOYSA-N -1 3 385.489 0.915 20 5 GCBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]Cc1nc(CO)cs1)OCCO2 ZINC000470240052 530920062 /nfs/dbraw/zinc/92/00/62/530920062.db2.gz YTGUITLSKWUDGA-UHFFFAOYSA-N -1 3 387.395 0.793 20 5 GCBDHM C[C@H](C[S@](C)=O)N(C)C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280902207 530920206 /nfs/dbraw/zinc/92/02/06/530920206.db2.gz DXJBLOHRWIDTRY-WYVULQQZSA-N -1 3 377.444 0.099 20 5 GCBDHM CC(C)(C)[S@@](=O)CCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280709726 530920819 /nfs/dbraw/zinc/92/08/19/530920819.db2.gz GCCDXFSCKWORLQ-DEOSSOPVSA-N -1 3 391.471 0.537 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](CO)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280949648 530921490 /nfs/dbraw/zinc/92/14/90/530921490.db2.gz KAGZVKXFKHRHHI-ZJUUUORDSA-N -1 3 378.378 0.666 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(CO)COC2)c(Br)c1 ZINC000269712077 530922018 /nfs/dbraw/zinc/92/20/18/530922018.db2.gz QXHVTYFIKNIVFG-UHFFFAOYSA-N -1 3 381.204 0.645 20 5 GCBDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)CCn2cc([N+](=O)[O-])nc2C)s1 ZINC000299549188 530927335 /nfs/dbraw/zinc/92/73/35/530927335.db2.gz VSOHHAMMCRKMBO-UHFFFAOYSA-N -1 3 387.443 0.776 20 5 GCBDHM CC(C)(C)NS(=O)(=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000604028004 530937673 /nfs/dbraw/zinc/93/76/73/530937673.db2.gz GTOUKCOPVGXEBC-UHFFFAOYSA-N -1 3 383.423 0.730 20 5 GCBDHM O=C(Cn1cc(Cl)cn1)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000498324722 530940777 /nfs/dbraw/zinc/94/07/77/530940777.db2.gz IHNHUSUPBJBCGK-UHFFFAOYSA-N -1 3 387.805 0.539 20 5 GCBDHM CS(=O)(=O)N1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000269849269 530948379 /nfs/dbraw/zinc/94/83/79/530948379.db2.gz FLEWEZMLLOPBEM-SECBINFHSA-N -1 3 381.407 0.294 20 5 GCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCN(S(C)(=O)=O)C2)c1C ZINC000269882421 530979096 /nfs/dbraw/zinc/97/90/96/530979096.db2.gz SLCVCLCRJHOKLK-LBPRGKRZSA-N -1 3 391.471 0.771 20 5 GCBDHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172361011 530971688 /nfs/dbraw/zinc/97/16/88/530971688.db2.gz YAQKKAPGLPFICX-UHFFFAOYSA-N -1 3 395.169 0.797 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2nnc[nH]2)c(Br)c1 ZINC000447042198 530995478 /nfs/dbraw/zinc/99/54/78/530995478.db2.gz QGXYXDJQSAOHCN-UHFFFAOYSA-N -1 3 376.192 0.996 20 5 GCBDHM CN1CCN(C(=O)CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000056094781 531002462 /nfs/dbraw/zinc/00/24/62/531002462.db2.gz MNZFNNUEAMNVBS-UHFFFAOYSA-N -1 3 390.849 0.691 20 5 GCBDHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000133247424 531091452 /nfs/dbraw/zinc/09/14/52/531091452.db2.gz ARCWSPWMTKEYQV-UHFFFAOYSA-N -1 3 397.185 0.566 20 5 GCBDHM C[C@@H]1CN=C(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)S1 ZINC000820804228 599046115 /nfs/dbraw/zinc/04/61/15/599046115.db2.gz OMPZTJICHLYHIU-SECBINFHSA-N -1 3 375.418 0.783 20 5 GCBDHM C[C@@H]1CN=C(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)S1 ZINC000820804228 599046118 /nfs/dbraw/zinc/04/61/18/599046118.db2.gz OMPZTJICHLYHIU-SECBINFHSA-N -1 3 375.418 0.783 20 5 GCBDHM CCO[C@@H]1C[C@@H](O)C12CCN(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC000736615014 599046559 /nfs/dbraw/zinc/04/65/59/599046559.db2.gz WXGVCCPUXBHKRK-CHWSQXEVSA-N -1 3 375.389 0.926 20 5 GCBDHM CCO[C@@H]1C[C@@H](O)C12CCN(c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)CC2 ZINC000736615014 599046562 /nfs/dbraw/zinc/04/65/62/599046562.db2.gz WXGVCCPUXBHKRK-CHWSQXEVSA-N -1 3 375.389 0.926 20 5 GCBDHM CCO[C@@H]1C[C@H](O)C12CCN(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC000736615018 599047134 /nfs/dbraw/zinc/04/71/34/599047134.db2.gz WXGVCCPUXBHKRK-QWHCGFSZSA-N -1 3 375.389 0.926 20 5 GCBDHM CCO[C@@H]1C[C@H](O)C12CCN(c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)CC2 ZINC000736615018 599047137 /nfs/dbraw/zinc/04/71/37/599047137.db2.gz WXGVCCPUXBHKRK-QWHCGFSZSA-N -1 3 375.389 0.926 20 5 GCBDHM NC(=O)[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000737744271 599112326 /nfs/dbraw/zinc/11/23/26/599112326.db2.gz VKRZGPUUVGZSFI-OAHLLOKOSA-N -1 3 398.335 0.924 20 5 GCBDHM NC(=O)[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000737744271 599112328 /nfs/dbraw/zinc/11/23/28/599112328.db2.gz VKRZGPUUVGZSFI-OAHLLOKOSA-N -1 3 398.335 0.924 20 5 GCBDHM NC(=O)[C@@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736913 599126016 /nfs/dbraw/zinc/12/60/16/599126016.db2.gz MWIPDBYQBYHTAC-ZDUSSCGKSA-N -1 3 386.328 0.131 20 5 GCBDHM NC(=O)[C@@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736913 599126017 /nfs/dbraw/zinc/12/60/17/599126017.db2.gz MWIPDBYQBYHTAC-ZDUSSCGKSA-N -1 3 386.328 0.131 20 5 GCBDHM O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1sccc1-c1nnn[n-]1 ZINC000823140143 607297808 /nfs/dbraw/zinc/29/78/08/607297808.db2.gz PHUSCGIFSYUNHO-VXGBXAGGSA-N -1 3 390.381 0.661 20 5 GCBDHM O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1sccc1-c1nn[n-]n1 ZINC000823140143 607297809 /nfs/dbraw/zinc/29/78/09/607297809.db2.gz PHUSCGIFSYUNHO-VXGBXAGGSA-N -1 3 390.381 0.661 20 5 GCBDHM Cn1ccnc1[C@H](O)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000822699054 607306362 /nfs/dbraw/zinc/30/63/62/607306362.db2.gz MSNMPQGHEOTBQW-GXFFZTMASA-N -1 3 385.388 0.853 20 5 GCBDHM Cn1ccnc1[C@H](O)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000822699054 607306363 /nfs/dbraw/zinc/30/63/63/607306363.db2.gz MSNMPQGHEOTBQW-GXFFZTMASA-N -1 3 385.388 0.853 20 5 GCBDHM Cc1cc(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c(N)c([N+](=O)[O-])c1 ZINC000737236555 598259457 /nfs/dbraw/zinc/25/94/57/598259457.db2.gz MVFKBGGCQYMGOQ-UHFFFAOYSA-N -1 3 383.372 0.902 20 5 GCBDHM Cc1cc(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c(N)c([N+](=O)[O-])c1 ZINC000737236555 598259459 /nfs/dbraw/zinc/25/94/59/598259459.db2.gz MVFKBGGCQYMGOQ-UHFFFAOYSA-N -1 3 383.372 0.902 20 5 GCBDHM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737892550 598322630 /nfs/dbraw/zinc/32/26/30/598322630.db2.gz WKDNFODKEGFNCV-UHFFFAOYSA-N -1 3 399.342 0.960 20 5 GCBDHM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737892550 598322632 /nfs/dbraw/zinc/32/26/32/598322632.db2.gz WKDNFODKEGFNCV-UHFFFAOYSA-N -1 3 399.342 0.960 20 5 GCBDHM Cc1nc(C)n(C[C@H]2CN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CCO2)n1 ZINC000737474908 598338079 /nfs/dbraw/zinc/33/80/79/598338079.db2.gz SSESSYNMCOIBLQ-CYBMUJFWSA-N -1 3 385.388 0.889 20 5 GCBDHM Cc1nc(C)n(C[C@H]2CN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CCO2)n1 ZINC000737474908 598338083 /nfs/dbraw/zinc/33/80/83/598338083.db2.gz SSESSYNMCOIBLQ-CYBMUJFWSA-N -1 3 385.388 0.889 20 5 GCBDHM O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccncc1-c1nnn[n-]1 ZINC000737982040 598379879 /nfs/dbraw/zinc/37/98/79/598379879.db2.gz MLIOXIYSQUHMSE-UHFFFAOYSA-N -1 3 382.296 0.138 20 5 GCBDHM O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccncc1-c1nn[n-]n1 ZINC000737982040 598379880 /nfs/dbraw/zinc/37/98/80/598379880.db2.gz MLIOXIYSQUHMSE-UHFFFAOYSA-N -1 3 382.296 0.138 20 5 GCBDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1cccc([N+](=O)[O-])c1 ZINC000737890120 598407022 /nfs/dbraw/zinc/40/70/22/598407022.db2.gz SRTFZGQTQBIJCZ-UHFFFAOYSA-N -1 3 381.352 0.821 20 5 GCBDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1cccc([N+](=O)[O-])c1 ZINC000737890120 598407024 /nfs/dbraw/zinc/40/70/24/598407024.db2.gz SRTFZGQTQBIJCZ-UHFFFAOYSA-N -1 3 381.352 0.821 20 5 GCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737986463 598449597 /nfs/dbraw/zinc/44/95/97/598449597.db2.gz KJLPYMOXUGLCAL-UHFFFAOYSA-N -1 3 398.387 0.152 20 5 GCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737986463 598449599 /nfs/dbraw/zinc/44/95/99/598449599.db2.gz KJLPYMOXUGLCAL-UHFFFAOYSA-N -1 3 398.387 0.152 20 5 GCBDHM Cc1ccc(N2CCCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)nn1 ZINC000737353334 598502631 /nfs/dbraw/zinc/50/26/31/598502631.db2.gz VGVCPOVTWUVXKW-UHFFFAOYSA-N -1 3 382.388 0.985 20 5 GCBDHM Cc1ccc(N2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)nn1 ZINC000737353334 598502632 /nfs/dbraw/zinc/50/26/32/598502632.db2.gz VGVCPOVTWUVXKW-UHFFFAOYSA-N -1 3 382.388 0.985 20 5 GCBDHM CS(=O)(=O)CCN1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000737161682 598591998 /nfs/dbraw/zinc/59/19/98/598591998.db2.gz CDRJYJDRCUMAEU-UHFFFAOYSA-N -1 3 396.433 0.091 20 5 GCBDHM CS(=O)(=O)CCN1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000737161682 598592000 /nfs/dbraw/zinc/59/20/00/598592000.db2.gz CDRJYJDRCUMAEU-UHFFFAOYSA-N -1 3 396.433 0.091 20 5 GCBDHM CCOc1ccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1[N+](=O)[O-] ZINC000736636398 598602730 /nfs/dbraw/zinc/60/27/30/598602730.db2.gz HMUIMNCXVXHJJU-UHFFFAOYSA-N -1 3 388.344 0.809 20 5 GCBDHM CCOc1ccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1[N+](=O)[O-] ZINC000736636398 598602732 /nfs/dbraw/zinc/60/27/32/598602732.db2.gz HMUIMNCXVXHJJU-UHFFFAOYSA-N -1 3 388.344 0.809 20 5 GCBDHM CCCc1n[nH]c(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1[N+](=O)[O-] ZINC000736496959 598606782 /nfs/dbraw/zinc/60/67/82/598606782.db2.gz AFCDESNJPJILSV-UHFFFAOYSA-N -1 3 386.376 0.687 20 5 GCBDHM CCCc1n[nH]c(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1[N+](=O)[O-] ZINC000736496959 598606784 /nfs/dbraw/zinc/60/67/84/598606784.db2.gz AFCDESNJPJILSV-UHFFFAOYSA-N -1 3 386.376 0.687 20 5 GCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737989215 598746342 /nfs/dbraw/zinc/74/63/42/598746342.db2.gz VDQXHTWZDBJJKG-UHFFFAOYSA-N -1 3 399.371 0.436 20 5 GCBDHM O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737982046 598804946 /nfs/dbraw/zinc/80/49/46/598804946.db2.gz MORAWQSKVWCANQ-UHFFFAOYSA-N -1 3 382.296 0.717 20 5 GCBDHM O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737982046 598804949 /nfs/dbraw/zinc/80/49/49/598804949.db2.gz MORAWQSKVWCANQ-UHFFFAOYSA-N -1 3 382.296 0.717 20 5 GCBDHM CCCCNC(=O)CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000821064851 599309351 /nfs/dbraw/zinc/30/93/51/599309351.db2.gz ASNSIMAMGPHPQJ-UHFFFAOYSA-N -1 3 389.420 0.208 20 5 GCBDHM CCCCNC(=O)CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000821064851 599309354 /nfs/dbraw/zinc/30/93/54/599309354.db2.gz ASNSIMAMGPHPQJ-UHFFFAOYSA-N -1 3 389.420 0.208 20 5 GCBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000821609752 599338079 /nfs/dbraw/zinc/33/80/79/599338079.db2.gz KLRGPTCWYKCHIN-UHFFFAOYSA-N -1 3 375.370 0.991 20 5 GCBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000821609752 599338082 /nfs/dbraw/zinc/33/80/82/599338082.db2.gz KLRGPTCWYKCHIN-UHFFFAOYSA-N -1 3 375.370 0.991 20 5 GCBDHM O=C(Cn1cc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cn1)N1CCOCC1 ZINC000823118698 599577823 /nfs/dbraw/zinc/57/78/23/599577823.db2.gz MUVYRDYUYTXVIH-UHFFFAOYSA-N -1 3 399.371 0.574 20 5 GCBDHM O=C(Cn1cc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1)N1CCOCC1 ZINC000823118698 599577824 /nfs/dbraw/zinc/57/78/24/599577824.db2.gz MUVYRDYUYTXVIH-UHFFFAOYSA-N -1 3 399.371 0.574 20 5 GCBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000823212216 599611867 /nfs/dbraw/zinc/61/18/67/599611867.db2.gz WWYLLRZWLVTQQV-UHFFFAOYSA-N -1 3 397.351 0.909 20 5 GCBDHM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826424491 607392013 /nfs/dbraw/zinc/39/20/13/607392013.db2.gz OOHPQNRIMUYBMF-UHFFFAOYSA-N -1 3 386.324 0.559 20 5 GCBDHM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826424491 607392015 /nfs/dbraw/zinc/39/20/15/607392015.db2.gz OOHPQNRIMUYBMF-UHFFFAOYSA-N -1 3 386.324 0.559 20 5 GCBDHM CN1N=C(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCC1=O ZINC000826052236 607523928 /nfs/dbraw/zinc/52/39/28/607523928.db2.gz QSLZNCJNNDOUEE-UHFFFAOYSA-N -1 3 378.736 0.975 20 5 GCBDHM CN1N=C(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCC1=O ZINC000826052236 607523931 /nfs/dbraw/zinc/52/39/31/607523931.db2.gz QSLZNCJNNDOUEE-UHFFFAOYSA-N -1 3 378.736 0.975 20 5 GCBDHM CCN(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C1CC1 ZINC000825424711 607604533 /nfs/dbraw/zinc/60/45/33/607604533.db2.gz OPWCQMTUEMDEDQ-UHFFFAOYSA-N -1 3 381.418 0.538 20 5 GCBDHM CN(CC(C)(C)CN1CCOCC1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825897698 607735159 /nfs/dbraw/zinc/73/51/59/607735159.db2.gz MHPMXTDUIDAJON-UHFFFAOYSA-N -1 3 376.421 0.965 20 5 GCBDHM CN(CC(C)(C)CN1CCOCC1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825897698 607735160 /nfs/dbraw/zinc/73/51/60/607735160.db2.gz MHPMXTDUIDAJON-UHFFFAOYSA-N -1 3 376.421 0.965 20 5 GCBDHM COC(=O)[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000833706474 605393835 /nfs/dbraw/zinc/39/38/35/605393835.db2.gz HGWNRJNYDCDGBP-DYEKYZERSA-N -1 3 382.369 0.673 20 5 GCBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000822632165 606225354 /nfs/dbraw/zinc/22/53/54/606225354.db2.gz SUEOWJJPQBUZQR-UHFFFAOYSA-N -1 3 383.372 0.471 20 5 GCBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000822632165 606225355 /nfs/dbraw/zinc/22/53/55/606225355.db2.gz SUEOWJJPQBUZQR-UHFFFAOYSA-N -1 3 383.372 0.471 20 5 GCBDHM O=C1NC[C@H]2CN(c3cc(-c4nnn[n-]4)c4cc([N+](=O)[O-])ccc4n3)CCN12 ZINC000823540888 606429450 /nfs/dbraw/zinc/42/94/50/606429450.db2.gz KRKNKHVXWHADIP-JTQLQIEISA-N -1 3 381.356 0.537 20 5 GCBDHM O=C1NC[C@H]2CN(c3cc(-c4nn[n-]n4)c4cc([N+](=O)[O-])ccc4n3)CCN12 ZINC000823540888 606429451 /nfs/dbraw/zinc/42/94/51/606429451.db2.gz KRKNKHVXWHADIP-JTQLQIEISA-N -1 3 381.356 0.537 20 5 GCBDHM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820766939 606472382 /nfs/dbraw/zinc/47/23/82/606472382.db2.gz FLWFIMINHYECCZ-KOLCDFICSA-N -1 3 381.418 0.857 20 5 GCBDHM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820766939 606472384 /nfs/dbraw/zinc/47/23/84/606472384.db2.gz FLWFIMINHYECCZ-KOLCDFICSA-N -1 3 381.418 0.857 20 5 GCBDHM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820768758 606472673 /nfs/dbraw/zinc/47/26/73/606472673.db2.gz PIIZJKYNTTYWGA-GZMMTYOYSA-N -1 3 382.406 0.252 20 5 GCBDHM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820768758 606472674 /nfs/dbraw/zinc/47/26/74/606472674.db2.gz PIIZJKYNTTYWGA-GZMMTYOYSA-N -1 3 382.406 0.252 20 5 GCBDHM Nc1c(C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cccc1[N+](=O)[O-] ZINC000822902500 606521819 /nfs/dbraw/zinc/52/18/19/606521819.db2.gz CKNKANWEDXXLNM-UHFFFAOYSA-N -1 3 395.383 0.715 20 5 GCBDHM Nc1c(C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cccc1[N+](=O)[O-] ZINC000822902500 606521821 /nfs/dbraw/zinc/52/18/21/606521821.db2.gz CKNKANWEDXXLNM-UHFFFAOYSA-N -1 3 395.383 0.715 20 5 GCBDHM Nc1c(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cccc1[N+](=O)[O-] ZINC000822903806 606521903 /nfs/dbraw/zinc/52/19/03/606521903.db2.gz OWTICXYYNWRBBZ-UHFFFAOYSA-N -1 3 395.383 0.715 20 5 GCBDHM Nc1c(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cccc1[N+](=O)[O-] ZINC000822903806 606521905 /nfs/dbraw/zinc/52/19/05/606521905.db2.gz OWTICXYYNWRBBZ-UHFFFAOYSA-N -1 3 395.383 0.715 20 5 GCBDHM CCN1CCC(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1 ZINC000821253755 606730666 /nfs/dbraw/zinc/73/06/66/606730666.db2.gz IBZRNYXLVHSWLX-UHFFFAOYSA-N -1 3 395.445 0.880 20 5 GCBDHM O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)c1-c1nnn[n-]1 ZINC000823646812 606733362 /nfs/dbraw/zinc/73/33/62/606733362.db2.gz AKOYYPGQJDDRTB-LLVKDONJSA-N -1 3 393.429 0.634 20 5 GCBDHM C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000820750941 606734324 /nfs/dbraw/zinc/73/43/24/606734324.db2.gz DOHGJNSWTFHZRM-QWRGUYRKSA-N -1 3 395.445 0.736 20 5 GCBDHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000823155620 606803434 /nfs/dbraw/zinc/80/34/34/606803434.db2.gz VFUGHBXNNVHZHW-UHFFFAOYSA-N -1 3 395.383 0.964 20 5 GCBDHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000823155620 606803435 /nfs/dbraw/zinc/80/34/35/606803435.db2.gz VFUGHBXNNVHZHW-UHFFFAOYSA-N -1 3 395.383 0.964 20 5 GCBDHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821932433 606807799 /nfs/dbraw/zinc/80/77/99/606807799.db2.gz MDUFGMQSXDHJGE-WDEREUQCSA-N -1 3 381.418 0.905 20 5 GCBDHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821932433 606807801 /nfs/dbraw/zinc/80/78/01/606807801.db2.gz MDUFGMQSXDHJGE-WDEREUQCSA-N -1 3 381.418 0.905 20 5 GCBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000821619183 607047289 /nfs/dbraw/zinc/04/72/89/607047289.db2.gz MHDVHBQCEUMEJQ-UHFFFAOYSA-N -1 3 381.418 0.635 20 5 GCBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000821619183 607047290 /nfs/dbraw/zinc/04/72/90/607047290.db2.gz MHDVHBQCEUMEJQ-UHFFFAOYSA-N -1 3 381.418 0.635 20 5 GCBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCN(S(C)(=O)=O)CC1 ZINC000821619231 607047434 /nfs/dbraw/zinc/04/74/34/607047434.db2.gz OQCGJGUWQNMLLO-UHFFFAOYSA-N -1 3 381.418 0.635 20 5 GCBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCN(S(C)(=O)=O)CC1 ZINC000821619231 607047437 /nfs/dbraw/zinc/04/74/37/607047437.db2.gz OQCGJGUWQNMLLO-UHFFFAOYSA-N -1 3 381.418 0.635 20 5 GCBDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCn1cnc([N+](=O)[O-])n1 ZINC000820004780 607091101 /nfs/dbraw/zinc/09/11/01/607091101.db2.gz BRPOSVCUGJQRDM-UHFFFAOYSA-N -1 3 388.344 0.767 20 5 GCBDHM Cc1cc(=O)n(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826256456 607816368 /nfs/dbraw/zinc/81/63/68/607816368.db2.gz KMFIGABCFFWZJX-UHFFFAOYSA-N -1 3 390.381 0.719 20 5 GCBDHM Cc1cc(=O)n(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826256456 607816369 /nfs/dbraw/zinc/81/63/69/607816369.db2.gz KMFIGABCFFWZJX-UHFFFAOYSA-N -1 3 390.381 0.719 20 5 GCBDHM Cc1nc(-c2cccc(-c3nnn[n-]3)c2)nn1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000826322351 607869151 /nfs/dbraw/zinc/86/91/51/607869151.db2.gz JBYYKNDIHCQFJU-CQSZACIVSA-N -1 3 396.371 0.599 20 5 GCBDHM Cc1nc(-c2cccc(-c3nn[n-]n3)c2)nn1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000826322351 607869152 /nfs/dbraw/zinc/86/91/52/607869152.db2.gz JBYYKNDIHCQFJU-CQSZACIVSA-N -1 3 396.371 0.599 20 5 GCBDHM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000826454764 608168179 /nfs/dbraw/zinc/16/81/79/608168179.db2.gz KCXIMUSPPGFVLF-UHFFFAOYSA-N -1 3 399.371 0.711 20 5 GCBDHM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000826454764 608168180 /nfs/dbraw/zinc/16/81/80/608168180.db2.gz KCXIMUSPPGFVLF-UHFFFAOYSA-N -1 3 399.371 0.711 20 5 GCBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000825793531 608179247 /nfs/dbraw/zinc/17/92/47/608179247.db2.gz WEVWZMMJXVMBMF-UHFFFAOYSA-N -1 3 383.332 0.375 20 5 GCBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000825793531 608179248 /nfs/dbraw/zinc/17/92/48/608179248.db2.gz WEVWZMMJXVMBMF-UHFFFAOYSA-N -1 3 383.332 0.375 20 5 GCBDHM COC(=O)[C@H](OC(=O)c1c([N+](=O)[O-])cnn1C)c1cccc(-c2nnn[n-]2)c1 ZINC000826117906 608375579 /nfs/dbraw/zinc/37/55/79/608375579.db2.gz VCNLIWIIMJKKII-GFCCVEGCSA-N -1 3 387.312 0.580 20 5 GCBDHM COC(=O)[C@H](OC(=O)c1c([N+](=O)[O-])cnn1C)c1cccc(-c2nn[n-]n2)c1 ZINC000826117906 608375581 /nfs/dbraw/zinc/37/55/81/608375581.db2.gz VCNLIWIIMJKKII-GFCCVEGCSA-N -1 3 387.312 0.580 20 5 GCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826366690 608381200 /nfs/dbraw/zinc/38/12/00/608381200.db2.gz UDYNMYPJHPXVAA-UHFFFAOYSA-N -1 3 397.399 0.907 20 5 GCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826366690 608381202 /nfs/dbraw/zinc/38/12/02/608381202.db2.gz UDYNMYPJHPXVAA-UHFFFAOYSA-N -1 3 397.399 0.907 20 5 GCBDHM O=[N+]([O-])c1cnc2ccc(N3CCN(c4ccc(-c5nnn[n-]5)cn4)CC3)nn21 ZINC000826500728 608403883 /nfs/dbraw/zinc/40/38/83/608403883.db2.gz KDRNDOCMOCHLAZ-UHFFFAOYSA-N -1 3 393.371 0.539 20 5 GCBDHM O=[N+]([O-])c1cnc2ccc(N3CCN(c4ccc(-c5nn[n-]n5)cn4)CC3)nn21 ZINC000826500728 608403884 /nfs/dbraw/zinc/40/38/84/608403884.db2.gz KDRNDOCMOCHLAZ-UHFFFAOYSA-N -1 3 393.371 0.539 20 5 GCBDHM COC(=O)CN(CCN1CCOCC1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] 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NKPYNJFVYLCZJS-UHFFFAOYSA-N -1 3 390.341 0.609 20 5 GCBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000826396226 948209302 /nfs/dbraw/zinc/20/93/02/948209302.db2.gz NKPYNJFVYLCZJS-UHFFFAOYSA-N -1 3 390.341 0.609 20 5 GCBDHM COC[C@]1(CN(C)C)COCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599198642 997263798 /nfs/dbraw/zinc/26/37/98/997263798.db2.gz YJIHBNTWRUJRBZ-QGZVFWFLSA-N -1 3 381.385 0.712 20 5 GCBDHM NS(=O)(=O)c1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000557864326 530117668 /nfs/dbraw/zinc/11/76/68/530117668.db2.gz SLNIMVPXZWCHBK-UHFFFAOYSA-N -1 3 377.425 0.782 20 5 GCBDHM Cc1nnc(CCNC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000292580446 530118356 /nfs/dbraw/zinc/11/83/56/530118356.db2.gz GMSZWTABQLUOLF-UHFFFAOYSA-N -1 3 385.427 0.392 20 5 GCBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@H]1CCCS(=O)(=O)C1)OCCO2 ZINC000510233120 530136780 /nfs/dbraw/zinc/13/67/80/530136780.db2.gz GEUYDRYHPSKJLJ-VIFPVBQESA-N -1 3 392.411 0.222 20 5 GCBDHM 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397.203 0.824 20 5 GCBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@]2(O)CCS(=O)(=O)C2)cc1C ZINC000515171684 530300828 /nfs/dbraw/zinc/30/08/28/530300828.db2.gz UIWCDVUPAPCSCQ-CYBMUJFWSA-N -1 3 378.428 0.040 20 5 GCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000147305696 530305517 /nfs/dbraw/zinc/30/55/17/530305517.db2.gz ZTTUFDODZFDIES-SNVBAGLBSA-N -1 3 393.443 0.306 20 5 GCBDHM CCOCCOC[C@H](O)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000480640113 530314951 /nfs/dbraw/zinc/31/49/51/530314951.db2.gz GXJZFBVFJJMOPX-CYBMUJFWSA-N -1 3 376.431 0.904 20 5 GCBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCS(=O)(=O)NC2CC2)c1[N+](=O)[O-] ZINC000481058049 530368090 /nfs/dbraw/zinc/36/80/90/530368090.db2.gz LBROBCSWLOGXTG-UHFFFAOYSA-N -1 3 377.444 0.572 20 5 GCBDHM CCS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000480690855 530337316 /nfs/dbraw/zinc/33/73/16/530337316.db2.gz BBPLBINIDCNUFN-UHFFFAOYSA-N -1 3 391.471 0.771 20 5 GCBDHM 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QBPNZEBIVRCWSV-GFCCVEGCSA-N -1 3 394.247 0.702 20 5 GCBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(N)=O)O2)cc1[N+](=O)[O-] ZINC000268388670 530686283 /nfs/dbraw/zinc/68/62/83/530686283.db2.gz WPHJFDCFPKOITG-LDYMZIIASA-N -1 3 377.806 0.868 20 5 GCBDHM CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590592010 530690742 /nfs/dbraw/zinc/69/07/42/530690742.db2.gz YTSCOECQUADNRP-UHFFFAOYSA-N -1 3 383.423 0.650 20 5 GCBDHM CCCN(C)S(=O)(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000268834629 530693972 /nfs/dbraw/zinc/69/39/72/530693972.db2.gz GDOHBHVRNOTRBB-UHFFFAOYSA-N -1 3 380.448 0.049 20 5 GCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCN(S(C)(=O)=O)C2)c1C ZINC000268837865 530694496 /nfs/dbraw/zinc/69/44/96/530694496.db2.gz HGGQYCWXXMJNGN-GFCCVEGCSA-N -1 3 391.471 0.914 20 5 GCBDHM CN1CC[C@](O)(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000546574332 530695991 /nfs/dbraw/zinc/69/59/91/530695991.db2.gz KZOYWETVGKMMFU-LBPRGKRZSA-N -1 3 383.348 0.959 20 5 GCBDHM CS(=O)(=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269479242 530750410 /nfs/dbraw/zinc/75/04/10/530750410.db2.gz NXMXXGUSQBIEKB-UHFFFAOYSA-N -1 3 376.334 0.937 20 5 GCBDHM NS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000064240911 530786428 /nfs/dbraw/zinc/78/64/28/530786428.db2.gz SDAGIRJQHAEKFD-UHFFFAOYSA-N -1 3 377.425 0.782 20 5 GCBDHM CS(=O)(=O)N[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000445035607 530801782 /nfs/dbraw/zinc/80/17/82/530801782.db2.gz CECFTDRACXZVAG-VXGBXAGGSA-N -1 3 395.434 0.873 20 5 GCBDHM CN1C[C@@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1=O ZINC000066577089 530789923 /nfs/dbraw/zinc/78/99/23/530789923.db2.gz HDVGTXDLIWATQC-QMMMGPOBSA-N -1 3 378.204 0.866 20 5 GCBDHM O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1C[C@@H]1C(F)F ZINC000554018042 530816021 /nfs/dbraw/zinc/81/60/21/530816021.db2.gz ZJXGMIUOKGVVDE-IUCAKERBSA-N -1 3 378.357 0.826 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(N)=O)O2)cc1[N+](=O)[O-] ZINC000275085624 530821302 /nfs/dbraw/zinc/82/13/02/530821302.db2.gz PABAKYSYGGNTTM-RDDDGLTNSA-N -1 3 377.350 0.054 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CCF)C(=O)OC ZINC000593632099 530822503 /nfs/dbraw/zinc/82/25/03/530822503.db2.gz JIIGUECWYBPXHO-JTQLQIEISA-N -1 3 378.334 0.561 20 5 GCBDHM CCS(=O)(=O)CCC[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000416629201 530848070 /nfs/dbraw/zinc/84/80/70/530848070.db2.gz YVWQNMZSNHFCQK-UHFFFAOYSA-N -1 3 384.407 0.846 20 5 GCBDHM COC(=O)CSCC[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275089955 530906631 /nfs/dbraw/zinc/90/66/31/530906631.db2.gz QKJKWTZYKCSHQX-UHFFFAOYSA-N -1 3 382.391 0.927 20 5 GCBDHM COCC[C@@H](C)S(=O)(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000464410372 530908609 /nfs/dbraw/zinc/90/86/09/530908609.db2.gz JBGXVDWLLLKVTN-LLVKDONJSA-N -1 3 395.459 0.218 20 5 GCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC(NS(C)(=O)=O)C2)c1C ZINC000619751884 530882887 /nfs/dbraw/zinc/88/28/87/530882887.db2.gz ACHVQMLYYAZGEI-UHFFFAOYSA-N -1 3 377.444 0.570 20 5 GCBDHM CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000594820506 530885355 /nfs/dbraw/zinc/88/53/55/530885355.db2.gz AXDWEMGLZNCGOB-CMPLNLGQSA-N -1 3 378.428 0.302 20 5 GCBDHM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000594822780 530885747 /nfs/dbraw/zinc/88/57/47/530885747.db2.gz OUONSHYZZJYYBV-GHMZBOCLSA-N -1 3 378.428 0.302 20 5 GCBDHM CO[C@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594827108 530886367 /nfs/dbraw/zinc/88/63/67/530886367.db2.gz RXOBGCKEEPMQDY-UWVGGRQHSA-N -1 3 384.819 0.339 20 5 GCBDHM COCc1nc(C[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)n[nH]1 ZINC000594828733 530886806 /nfs/dbraw/zinc/88/68/06/530886806.db2.gz VYTFYMDTGDMIQE-UHFFFAOYSA-N -1 3 375.338 0.486 20 5 GCBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C2(C(N)=O)CCOCC2)cc1[N+](=O)[O-] ZINC000371217528 530889408 /nfs/dbraw/zinc/88/94/08/530889408.db2.gz BVYYBIIXMYCVKX-UHFFFAOYSA-N -1 3 377.806 0.869 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2CCN(C)C(=O)C2)cc1[N+](=O)[O-] ZINC000425185122 530891071 /nfs/dbraw/zinc/89/10/71/530891071.db2.gz QCTOLKGWEDXTLJ-VIFPVBQESA-N -1 3 375.378 0.889 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)[C@H](CO)SC ZINC000276398764 530911331 /nfs/dbraw/zinc/91/13/31/530911331.db2.gz SKPGWYJJRZRTOC-KCJUWKMLSA-N -1 3 378.428 0.772 20 5 GCBDHM COCC[C@@H](COC)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000427603240 530896004 /nfs/dbraw/zinc/89/60/04/530896004.db2.gz JIMSAXWCKZYYNL-NSHDSACASA-N -1 3 375.403 0.041 20 5 GCBDHM CS[C@@H](C)CNC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000269821859 530933394 /nfs/dbraw/zinc/93/33/94/530933394.db2.gz SWURQUGFNMBGIS-JTQLQIEISA-N -1 3 376.460 0.924 20 5 GCBDHM COCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)CC2 ZINC000467062891 530914515 /nfs/dbraw/zinc/91/45/15/530914515.db2.gz GTDKAORYTJKJRV-VIFPVBQESA-N -1 3 387.443 0.996 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCN(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000467075989 530914576 /nfs/dbraw/zinc/91/45/76/530914576.db2.gz RXWIJCCLGDVZKH-SNVBAGLBSA-N -1 3 385.427 0.782 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1(S(C)(=O)=O)CC1 ZINC000280322908 530919607 /nfs/dbraw/zinc/91/96/07/530919607.db2.gz UBFMETPIUAJZMV-UHFFFAOYSA-N -1 3 392.411 0.237 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1([S@](C)=O)CCC1 ZINC000280794205 530920313 /nfs/dbraw/zinc/92/03/13/530920313.db2.gz QYRUIRLDULMEFL-DEOSSOPVSA-N -1 3 390.439 0.961 20 5 GCBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCSCCCO ZINC000281127183 530921466 /nfs/dbraw/zinc/92/14/66/530921466.db2.gz YALMDFFKKKGIBZ-UHFFFAOYSA-N -1 3 377.444 0.105 20 5 GCBDHM O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCOCCF ZINC000595872133 530922245 /nfs/dbraw/zinc/92/22/45/530922245.db2.gz CMRHYNQFAJJNCX-UHFFFAOYSA-N -1 3 378.382 0.158 20 5 GCBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CC2(CO)COC2)c1 ZINC000269733887 530922929 /nfs/dbraw/zinc/92/29/29/530922929.db2.gz ZNDKWCZSIVOQKP-UHFFFAOYSA-N -1 3 381.204 0.645 20 5 GCBDHM C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)NCCF ZINC000282188730 530923454 /nfs/dbraw/zinc/92/34/54/530923454.db2.gz DYHIGXITBYIFJO-MRVPVSSYSA-N -1 3 377.350 0.119 20 5 GCBDHM CN(C)C(=O)NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000271723722 530925944 /nfs/dbraw/zinc/92/59/44/530925944.db2.gz LJNZNNOXZRNNFF-UHFFFAOYSA-N -1 3 395.235 0.907 20 5 GCBDHM CC(C)NS(=O)(=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000299415509 530961997 /nfs/dbraw/zinc/96/19/97/530961997.db2.gz UBKQALBAMJYDII-UHFFFAOYSA-N -1 3 385.851 0.854 20 5 GCBDHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1[nH]ncc1[N+](=O)[O-] ZINC000495312875 530937410 /nfs/dbraw/zinc/93/74/10/530937410.db2.gz QPKZAXVMTFVZSX-UHFFFAOYSA-N -1 3 379.807 0.741 20 5 GCBDHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000495312875 530937412 /nfs/dbraw/zinc/93/74/12/530937412.db2.gz QPKZAXVMTFVZSX-UHFFFAOYSA-N -1 3 379.807 0.741 20 5 GCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CS(=O)(=O)CCO2)c1C ZINC000507889466 530941620 /nfs/dbraw/zinc/94/16/20/530941620.db2.gz OXCYZDCBWCKBQP-NSHDSACASA-N -1 3 378.428 0.304 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2COC3(CCOCC3)O2)c(F)c1 ZINC000272056231 530946690 /nfs/dbraw/zinc/94/66/90/530946690.db2.gz ODCHHLUPXNZACT-LLVKDONJSA-N -1 3 376.362 0.934 20 5 GCBDHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCc1ccccc1[N+](=O)[O-] ZINC000461258265 530994317 /nfs/dbraw/zinc/99/43/17/530994317.db2.gz AYDRGJCEJQPLFR-UHFFFAOYSA-N -1 3 397.185 0.979 20 5 GCBDHM COC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000487136874 530996595 /nfs/dbraw/zinc/99/65/95/530996595.db2.gz KYJNLPFWWWJBMA-CQSZACIVSA-N -1 3 376.387 0.850 20 5 GCBDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC ZINC000056014116 531001996 /nfs/dbraw/zinc/00/19/96/531001996.db2.gz OEQLLQDACZQDFC-VIFPVBQESA-N -1 3 380.762 0.631 20 5 GCBDHM O=[N+]([O-])c1cnc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)nc1 ZINC000440653125 531081467 /nfs/dbraw/zinc/08/14/67/531081467.db2.gz HSMFNJBFRNWJNP-UHFFFAOYSA-N -1 3 375.769 1.568 20 5 GCBDHM Nc1nc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)ncc1[N+](=O)[O-] ZINC000440664125 531095793 /nfs/dbraw/zinc/09/57/93/531095793.db2.gz KNBYPJNARGVCHK-UHFFFAOYSA-N -1 3 390.784 0.572 20 5 GCBDHM COC(=O)[C@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900605 598896427 /nfs/dbraw/zinc/89/64/27/598896427.db2.gz SWALJCVKTAQHBB-CYBMUJFWSA-N -1 3 387.312 0.429 20 5 GCBDHM COC(=O)[C@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900605 598896429 /nfs/dbraw/zinc/89/64/29/598896429.db2.gz SWALJCVKTAQHBB-CYBMUJFWSA-N -1 3 387.312 0.429 20 5 GCBDHM COC(=O)[C@H](OC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896682 598897718 /nfs/dbraw/zinc/89/77/18/598897718.db2.gz BCJFNCVCTLYLNT-CYBMUJFWSA-N -1 3 387.312 0.429 20 5 GCBDHM COC(=O)[C@H](OC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896682 598897720 /nfs/dbraw/zinc/89/77/20/598897720.db2.gz BCJFNCVCTLYLNT-CYBMUJFWSA-N -1 3 387.312 0.429 20 5 GCBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737497753 599118926 /nfs/dbraw/zinc/11/89/26/599118926.db2.gz FGUYVTNJFVYEJO-ZDUSSCGKSA-N -1 3 383.324 0.862 20 5 GCBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737497753 599118929 /nfs/dbraw/zinc/11/89/29/599118929.db2.gz FGUYVTNJFVYEJO-ZDUSSCGKSA-N -1 3 383.324 0.862 20 5 GCBDHM NC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc(-c2nnn[n-]2)cc1 ZINC000737740006 599119642 /nfs/dbraw/zinc/11/96/42/599119642.db2.gz LMQUSODQFRTSBZ-CYBMUJFWSA-N -1 3 383.324 0.741 20 5 GCBDHM NC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc(-c2nn[n-]n2)cc1 ZINC000737740006 599119644 /nfs/dbraw/zinc/11/96/44/599119644.db2.gz LMQUSODQFRTSBZ-CYBMUJFWSA-N -1 3 383.324 0.741 20 5 GCBDHM O=[N+]([O-])c1cnn(CCN2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)c1 ZINC000738374167 599124693 /nfs/dbraw/zinc/12/46/93/599124693.db2.gz JZNRQVLJLYUOPY-UHFFFAOYSA-N -1 3 387.379 0.933 20 5 GCBDHM O=[N+]([O-])c1cnn(CCN2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)c1 ZINC000738374167 599124695 /nfs/dbraw/zinc/12/46/95/599124695.db2.gz JZNRQVLJLYUOPY-UHFFFAOYSA-N -1 3 387.379 0.933 20 5 GCBDHM O=C(C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1)N1CCOCC1 ZINC000822917052 599197804 /nfs/dbraw/zinc/19/78/04/599197804.db2.gz MHOPPOKTJRNRBT-UHFFFAOYSA-N -1 3 388.388 0.245 20 5 GCBDHM O=C(C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1)N1CCOCC1 ZINC000822917052 599197806 /nfs/dbraw/zinc/19/78/06/599197806.db2.gz MHOPPOKTJRNRBT-UHFFFAOYSA-N -1 3 388.388 0.245 20 5 GCBDHM O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000823140526 607297959 /nfs/dbraw/zinc/29/79/59/607297959.db2.gz VVJLUCQDRVSYII-GJZGRUSLSA-N -1 3 384.352 0.599 20 5 GCBDHM O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000823140526 607297960 /nfs/dbraw/zinc/29/79/60/607297960.db2.gz VVJLUCQDRVSYII-GJZGRUSLSA-N -1 3 384.352 0.599 20 5 GCBDHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000738261830 598444303 /nfs/dbraw/zinc/44/43/03/598444303.db2.gz UXGJGZGKZBOETN-UHFFFAOYSA-N -1 3 381.356 0.527 20 5 GCBDHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000738261830 598444305 /nfs/dbraw/zinc/44/43/05/598444305.db2.gz UXGJGZGKZBOETN-UHFFFAOYSA-N -1 3 381.356 0.527 20 5 GCBDHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000738220232 598480040 /nfs/dbraw/zinc/48/00/40/598480040.db2.gz QVGKHPRUIGDCMX-UHFFFAOYSA-N -1 3 395.335 0.916 20 5 GCBDHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000738220232 598480042 /nfs/dbraw/zinc/48/00/42/598480042.db2.gz QVGKHPRUIGDCMX-UHFFFAOYSA-N -1 3 395.335 0.916 20 5 GCBDHM CN(C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC000736780576 598499149 /nfs/dbraw/zinc/49/91/49/598499149.db2.gz SQFPFRFNIVAFTE-UHFFFAOYSA-N -1 3 382.406 0.030 20 5 GCBDHM CN(C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC000736780576 598499151 /nfs/dbraw/zinc/49/91/51/598499151.db2.gz SQFPFRFNIVAFTE-UHFFFAOYSA-N -1 3 382.406 0.030 20 5 GCBDHM O=c1ccccn1CCN1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000738379348 598503236 /nfs/dbraw/zinc/50/32/36/598503236.db2.gz GPMWBPBSUHIMOH-UHFFFAOYSA-N -1 3 397.399 0.154 20 5 GCBDHM O=c1ccccn1CCN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000738379348 598503237 /nfs/dbraw/zinc/50/32/37/598503237.db2.gz GPMWBPBSUHIMOH-UHFFFAOYSA-N -1 3 397.399 0.154 20 5 GCBDHM CN(C)C(=O)CN1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736745686 598593248 /nfs/dbraw/zinc/59/32/48/598593248.db2.gz ARHIBSOQVFQTIS-UHFFFAOYSA-N -1 3 375.393 0.134 20 5 GCBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738085898 598602166 /nfs/dbraw/zinc/60/21/66/598602166.db2.gz PKVRAQHFJVFQNH-UHFFFAOYSA-N -1 3 397.351 0.909 20 5 GCBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738085898 598602168 /nfs/dbraw/zinc/60/21/68/598602168.db2.gz PKVRAQHFJVFQNH-UHFFFAOYSA-N -1 3 397.351 0.909 20 5 GCBDHM O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737879638 598805063 /nfs/dbraw/zinc/80/50/63/598805063.db2.gz VZKFIXKZYGDXIR-UHFFFAOYSA-N -1 3 396.323 0.534 20 5 GCBDHM O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737879638 598805064 /nfs/dbraw/zinc/80/50/64/598805064.db2.gz VZKFIXKZYGDXIR-UHFFFAOYSA-N -1 3 396.323 0.534 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737987294 598808045 /nfs/dbraw/zinc/80/80/45/598808045.db2.gz UGZMDRKCRSDOGG-UHFFFAOYSA-N -1 3 380.328 0.796 20 5 GCBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000737486114 599296895 /nfs/dbraw/zinc/29/68/95/599296895.db2.gz AQNAGJMCHYRMSZ-UHFFFAOYSA-N -1 3 390.389 0.611 20 5 GCBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000737486114 599296897 /nfs/dbraw/zinc/29/68/97/599296897.db2.gz AQNAGJMCHYRMSZ-UHFFFAOYSA-N -1 3 390.389 0.611 20 5 GCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNCc1ccc(-c2nnn[n-]2)o1 ZINC000823648214 599443417 /nfs/dbraw/zinc/44/34/17/599443417.db2.gz SSOCRCYGKIRKHQ-UHFFFAOYSA-N -1 3 393.385 0.436 20 5 GCBDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCc1ccccc1[N+](=O)[O-] ZINC000823005268 599489445 /nfs/dbraw/zinc/48/94/45/599489445.db2.gz JOTPLCAIAIDKIB-UHFFFAOYSA-N -1 3 395.379 0.864 20 5 GCBDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCc1ccccc1[N+](=O)[O-] ZINC000823005268 599489449 /nfs/dbraw/zinc/48/94/49/599489449.db2.gz JOTPLCAIAIDKIB-UHFFFAOYSA-N -1 3 395.379 0.864 20 5 GCBDHM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823005138 599490492 /nfs/dbraw/zinc/49/04/92/599490492.db2.gz DCWRCKBMWQAZOR-UHFFFAOYSA-N -1 3 399.342 0.960 20 5 GCBDHM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823005138 599490495 /nfs/dbraw/zinc/49/04/95/599490495.db2.gz DCWRCKBMWQAZOR-UHFFFAOYSA-N -1 3 399.342 0.960 20 5 GCBDHM CN(C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1)c1cccnn1 ZINC000821597588 607382452 /nfs/dbraw/zinc/38/24/52/607382452.db2.gz ALDOEEOROMFHHM-CYBMUJFWSA-N -1 3 397.399 0.907 20 5 GCBDHM CN(C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1)c1cccnn1 ZINC000821597588 607382454 /nfs/dbraw/zinc/38/24/54/607382454.db2.gz ALDOEEOROMFHHM-CYBMUJFWSA-N -1 3 397.399 0.907 20 5 GCBDHM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000826424660 607391713 /nfs/dbraw/zinc/39/17/13/607391713.db2.gz XHBXAZYDMBMOPX-UHFFFAOYSA-N -1 3 395.335 0.933 20 5 GCBDHM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000826424660 607391714 /nfs/dbraw/zinc/39/17/14/607391714.db2.gz XHBXAZYDMBMOPX-UHFFFAOYSA-N -1 3 395.335 0.933 20 5 GCBDHM C[C@H](Cn1ccnc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824466451 607588027 /nfs/dbraw/zinc/58/80/27/607588027.db2.gz XDUUQQKAXGBBQX-SECBINFHSA-N -1 3 378.374 0.338 20 5 GCBDHM CC1CCN(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1 ZINC000824954020 607588801 /nfs/dbraw/zinc/58/88/01/607588801.db2.gz IWKDRLYEEBEJSS-UHFFFAOYSA-N -1 3 395.445 0.785 20 5 GCBDHM CC1CCN(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000824954020 607588802 /nfs/dbraw/zinc/58/88/02/607588802.db2.gz IWKDRLYEEBEJSS-UHFFFAOYSA-N -1 3 395.445 0.785 20 5 GCBDHM C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000824977513 607670790 /nfs/dbraw/zinc/67/07/90/607670790.db2.gz QTGGWWKHUHDQQN-GXSJLCMTSA-N -1 3 393.429 0.536 20 5 GCBDHM C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824977513 607670792 /nfs/dbraw/zinc/67/07/92/607670792.db2.gz QTGGWWKHUHDQQN-GXSJLCMTSA-N -1 3 393.429 0.536 20 5 GCBDHM O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2ccc(-c3nnn[n-]3)nc2)c1 ZINC000823647885 606061024 /nfs/dbraw/zinc/06/10/24/606061024.db2.gz PEJJJKCZKOKDGU-UHFFFAOYSA-N -1 3 390.385 0.560 20 5 GCBDHM O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2ccc(-c3nn[n-]n3)nc2)c1 ZINC000823647885 606061026 /nfs/dbraw/zinc/06/10/26/606061026.db2.gz PEJJJKCZKOKDGU-UHFFFAOYSA-N -1 3 390.385 0.560 20 5 GCBDHM O=[N+]([O-])c1ccn(CCN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)n1 ZINC000823647264 606188379 /nfs/dbraw/zinc/18/83/79/606188379.db2.gz JGIIMUXFKZGLJD-UHFFFAOYSA-N -1 3 387.379 0.933 20 5 GCBDHM CC(C)OCCOC[C@H](O)CN(C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820146851 606238961 /nfs/dbraw/zinc/23/89/61/606238961.db2.gz SKAIYBHMTPOZBN-GFCCVEGCSA-N -1 3 381.393 0.409 20 5 GCBDHM CC(C)OCCOC[C@H](O)CN(C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820146851 606238963 /nfs/dbraw/zinc/23/89/63/606238963.db2.gz SKAIYBHMTPOZBN-GFCCVEGCSA-N -1 3 381.393 0.409 20 5 GCBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000822627196 606290569 /nfs/dbraw/zinc/29/05/69/606290569.db2.gz LOGOOJSCJWPDMV-LLVKDONJSA-N -1 3 383.372 0.835 20 5 GCBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000822627196 606290571 /nfs/dbraw/zinc/29/05/71/606290571.db2.gz LOGOOJSCJWPDMV-LLVKDONJSA-N -1 3 383.372 0.835 20 5 GCBDHM CN1C(=O)N[C@@]2(CCC[C@@H]2CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1=O ZINC000821620362 606422296 /nfs/dbraw/zinc/42/22/96/606422296.db2.gz HHDAMJCNYTWWGK-JDNHERCYSA-N -1 3 386.372 0.907 20 5 GCBDHM CN1C(=O)N[C@@]2(CCC[C@@H]2CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1=O ZINC000821620362 606422298 /nfs/dbraw/zinc/42/22/98/606422298.db2.gz HHDAMJCNYTWWGK-JDNHERCYSA-N -1 3 386.372 0.907 20 5 GCBDHM CN1C(=O)N[C@@]2(CCC[C@H]2CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1=O ZINC000821620235 606422349 /nfs/dbraw/zinc/42/23/49/606422349.db2.gz CPNACGSFCVEVTG-VXJOIVPMSA-N -1 3 387.360 0.302 20 5 GCBDHM CN1C(=O)N[C@@]2(CCC[C@H]2CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1=O ZINC000821620235 606422350 /nfs/dbraw/zinc/42/23/50/606422350.db2.gz CPNACGSFCVEVTG-VXJOIVPMSA-N -1 3 387.360 0.302 20 5 GCBDHM CN(C)C(=O)CN1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821575687 606709992 /nfs/dbraw/zinc/70/99/92/606709992.db2.gz LSHQJYCJJQQJBN-UHFFFAOYSA-N -1 3 375.393 0.134 20 5 GCBDHM CN(C)C(=O)CN1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821575687 606709993 /nfs/dbraw/zinc/70/99/93/606709993.db2.gz LSHQJYCJJQQJBN-UHFFFAOYSA-N -1 3 375.393 0.134 20 5 GCBDHM CC(C)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000820092695 606730597 /nfs/dbraw/zinc/73/05/97/606730597.db2.gz NWJBNWIEKUVMQW-UHFFFAOYSA-N -1 3 395.445 0.737 20 5 GCBDHM C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000820750939 606734438 /nfs/dbraw/zinc/73/44/38/606734438.db2.gz DOHGJNSWTFHZRM-MNOVXSKESA-N -1 3 395.445 0.736 20 5 GCBDHM O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H](N3CC=CC3)C2)c1-c1nn[n-]n1 ZINC000823648388 606735567 /nfs/dbraw/zinc/73/55/67/606735567.db2.gz VXGRWFABWOOOTO-LLVKDONJSA-N -1 3 391.413 0.410 20 5 GCBDHM Nc1c(C(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000822902487 607003780 /nfs/dbraw/zinc/00/37/80/607003780.db2.gz CHPIVLRHCMEEHT-UHFFFAOYSA-N -1 3 397.351 0.830 20 5 GCBDHM Nc1c(C(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000822902487 607003782 /nfs/dbraw/zinc/00/37/82/607003782.db2.gz CHPIVLRHCMEEHT-UHFFFAOYSA-N -1 3 397.351 0.830 20 5 GCBDHM NC(=O)[C@@H]1CC[C@@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)O1 ZINC000822860636 607118431 /nfs/dbraw/zinc/11/84/31/607118431.db2.gz ZXBJGSJFJWJGKZ-ZANVPECISA-N -1 3 384.356 0.768 20 5 GCBDHM NC(=O)[C@@H]1CC[C@@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)O1 ZINC000822860636 607118433 /nfs/dbraw/zinc/11/84/33/607118433.db2.gz ZXBJGSJFJWJGKZ-ZANVPECISA-N -1 3 384.356 0.768 20 5 GCBDHM O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000823651929 607231080 /nfs/dbraw/zinc/23/10/80/607231080.db2.gz RSVQKGIETDZLNA-UHFFFAOYSA-N -1 3 382.337 0.089 20 5 GCBDHM O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000823651929 607231081 /nfs/dbraw/zinc/23/10/81/607231081.db2.gz RSVQKGIETDZLNA-UHFFFAOYSA-N -1 3 382.337 0.089 20 5 GCBDHM O=[N+]([O-])c1cnn(C[C@H](O)COc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC000826500965 607876705 /nfs/dbraw/zinc/87/67/05/607876705.db2.gz SYYOVZOPYIRRME-VIFPVBQESA-N -1 3 376.289 0.320 20 5 GCBDHM O=[N+]([O-])c1cnn(C[C@H](O)COc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC000826500965 607876706 /nfs/dbraw/zinc/87/67/06/607876706.db2.gz SYYOVZOPYIRRME-VIFPVBQESA-N -1 3 376.289 0.320 20 5 GCBDHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826395425 607991462 /nfs/dbraw/zinc/99/14/62/607991462.db2.gz AZIWNXFCNKZJBR-UHFFFAOYSA-N -1 3 397.355 0.821 20 5 GCBDHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826395425 607991463 /nfs/dbraw/zinc/99/14/63/607991463.db2.gz AZIWNXFCNKZJBR-UHFFFAOYSA-N -1 3 397.355 0.821 20 5 GCBDHM O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826474693 608109767 /nfs/dbraw/zinc/10/97/67/608109767.db2.gz ATCHXXSYFWZVKI-UHFFFAOYSA-N -1 3 383.372 0.456 20 5 GCBDHM O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826475171 608117759 /nfs/dbraw/zinc/11/77/59/608117759.db2.gz WBEOINOVYPGMDA-UHFFFAOYSA-N -1 3 383.372 0.851 20 5 GCBDHM NC(=O)c1ccc(COC(=O)COc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826393103 608140040 /nfs/dbraw/zinc/14/00/40/608140040.db2.gz BPXXVKJNBGNIBM-UHFFFAOYSA-N -1 3 398.335 0.996 20 5 GCBDHM NC(=O)c1ccc(COC(=O)COc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826393103 608140041 /nfs/dbraw/zinc/14/00/41/608140041.db2.gz BPXXVKJNBGNIBM-UHFFFAOYSA-N -1 3 398.335 0.996 20 5 GCBDHM COCC(=O)N(C)CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826147533 608162969 /nfs/dbraw/zinc/16/29/69/608162969.db2.gz ALCHRIYPEKTQMC-UHFFFAOYSA-N -1 3 383.752 0.472 20 5 GCBDHM COCC(=O)N(C)CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826147533 608162971 /nfs/dbraw/zinc/16/29/71/608162971.db2.gz ALCHRIYPEKTQMC-UHFFFAOYSA-N -1 3 383.752 0.472 20 5 GCBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826246594 608163506 /nfs/dbraw/zinc/16/35/06/608163506.db2.gz HJVILZKDEXQOOY-HOTGVXAUSA-N -1 3 398.379 0.908 20 5 GCBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826246594 608163507 /nfs/dbraw/zinc/16/35/07/608163507.db2.gz HJVILZKDEXQOOY-HOTGVXAUSA-N -1 3 398.379 0.908 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826424640 608192311 /nfs/dbraw/zinc/19/23/11/608192311.db2.gz WFTKETDGQPLCDI-UHFFFAOYSA-N -1 3 394.355 0.678 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826424640 608192313 /nfs/dbraw/zinc/19/23/13/608192313.db2.gz WFTKETDGQPLCDI-UHFFFAOYSA-N -1 3 394.355 0.678 20 5 GCBDHM C[C@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824727559 608254703 /nfs/dbraw/zinc/25/47/03/608254703.db2.gz BLGLWLVNLVQCKG-QMMMGPOBSA-N -1 3 386.328 0.692 20 5 GCBDHM C[C@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824727559 608254705 /nfs/dbraw/zinc/25/47/05/608254705.db2.gz BLGLWLVNLVQCKG-QMMMGPOBSA-N -1 3 386.328 0.692 20 5 GCBDHM NC(=O)c1cc([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)n[nH]1 ZINC000826392666 608293361 /nfs/dbraw/zinc/29/33/61/608293361.db2.gz HYSYYLOJOLKDNC-MRVPVSSYSA-N -1 3 384.360 0.376 20 5 GCBDHM NC(=O)c1cc([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)n[nH]1 ZINC000826392666 608293363 /nfs/dbraw/zinc/29/33/63/608293363.db2.gz HYSYYLOJOLKDNC-MRVPVSSYSA-N -1 3 384.360 0.376 20 5 GCBDHM C[C@@H](OC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824712918 608374943 /nfs/dbraw/zinc/37/49/43/608374943.db2.gz FGAADLOKAMFNEY-MRVPVSSYSA-N -1 3 386.328 0.692 20 5 GCBDHM C[C@@H](OC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824712918 608374945 /nfs/dbraw/zinc/37/49/45/608374945.db2.gz FGAADLOKAMFNEY-MRVPVSSYSA-N -1 3 386.328 0.692 20 5 GCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826366286 608376151 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CCN(CCO)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000184338494 530499236 /nfs/dbraw/zinc/49/92/36/530499236.db2.gz TZOONYMJUMNGRV-UHFFFAOYSA-N -1 3 396.263 0.950 20 5 GCBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCS(=O)(=O)NC(C)C)cc1C ZINC000299410655 530510509 /nfs/dbraw/zinc/51/05/09/530510509.db2.gz QYFVELPZYJTPBM-UHFFFAOYSA-N -1 3 379.460 0.818 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](C)S(C)(=O)=O ZINC000542240612 530527562 /nfs/dbraw/zinc/52/75/62/530527562.db2.gz MDZMRISOGCENQJ-QMMMGPOBSA-N -1 3 380.400 0.093 20 5 GCBDHM CCS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000438888670 530571718 /nfs/dbraw/zinc/57/17/18/530571718.db2.gz WHZKWDZXFNEIGM-UHFFFAOYSA-N -1 3 397.862 0.808 20 5 GCBDHM CCS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000438905057 530572720 /nfs/dbraw/zinc/57/27/20/530572720.db2.gz VUCJEWRLKLXCIT-UHFFFAOYSA-N -1 3 393.443 0.163 20 5 GCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCN(S(C)(=O)=O)C2)c1C 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/nfs/dbraw/zinc/75/84/99/530758499.db2.gz UBZVMMGGOLLQFN-JGVFFNPUSA-N -1 3 393.443 0.928 20 5 GCBDHM COCCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000485919931 530745193 /nfs/dbraw/zinc/74/51/93/530745193.db2.gz IFBKXRYKIWIOTR-OLZOCXBDSA-N -1 3 378.378 0.833 20 5 GCBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NC1(CO)CCSCC1 ZINC000458069319 530745288 /nfs/dbraw/zinc/74/52/88/530745288.db2.gz HCVXWLRTSLSHBQ-UHFFFAOYSA-N -1 3 389.455 0.247 20 5 GCBDHM CN1CCO[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000269449323 530745882 /nfs/dbraw/zinc/74/58/82/530745882.db2.gz BWHUABLTTHYMDX-JTQLQIEISA-N -1 3 394.247 0.966 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCS(=O)(=O)C2)c(Br)c1 ZINC000269456936 530746204 /nfs/dbraw/zinc/74/62/04/530746204.db2.gz FWQKCLGIQSQBCK-SSDOTTSWSA-N -1 3 399.244 0.823 20 5 GCBDHM CS(=O)(=O)NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269470086 530748054 /nfs/dbraw/zinc/74/80/54/530748054.db2.gz KVFJIKKLGPIVJZ-UHFFFAOYSA-N -1 3 391.349 0.441 20 5 GCBDHM CC[C@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000295650210 530776263 /nfs/dbraw/zinc/77/62/63/530776263.db2.gz FFCCUEOMXUIVJW-LLVKDONJSA-N -1 3 379.460 0.818 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@]1(C)CCS(=O)(=O)C1 ZINC000273239818 530802241 /nfs/dbraw/zinc/80/22/41/530802241.db2.gz XFIHKSAWDUQIHM-ZDUSSCGKSA-N -1 3 392.411 0.237 20 5 GCBDHM CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273486639 530814871 /nfs/dbraw/zinc/81/48/71/530814871.db2.gz GRCMSRDIONLERY-SECBINFHSA-N -1 3 394.427 0.483 20 5 GCBDHM CCN1C[C@@H](C[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CC1=O ZINC000593640446 530823210 /nfs/dbraw/zinc/82/32/10/530823210.db2.gz GZVFMQZOLYHAIH-SECBINFHSA-N -1 3 375.378 0.889 20 5 GCBDHM COCCNC(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000298858092 530847930 /nfs/dbraw/zinc/84/79/30/530847930.db2.gz OMZFNCWWDAMTTE-UHFFFAOYSA-N -1 3 396.219 0.398 20 5 GCBDHM 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530907956 /nfs/dbraw/zinc/90/79/56/530907956.db2.gz FZYKEZVPHVMNEE-UHFFFAOYSA-N -1 3 378.378 0.810 20 5 GCBDHM CS(=O)(=O)C1(C[N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000594773128 530881460 /nfs/dbraw/zinc/88/14/60/530881460.db2.gz UFBWSMJZEGJGQG-UHFFFAOYSA-N -1 3 385.423 0.999 20 5 GCBDHM CSC[C@H](CCO)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000443242671 530893604 /nfs/dbraw/zinc/89/36/04/530893604.db2.gz NACFODDDCLQRIO-VIFPVBQESA-N -1 3 378.428 0.758 20 5 GCBDHM O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ncncc1Cl ZINC000426313927 530893757 /nfs/dbraw/zinc/89/37/57/530893757.db2.gz XZFNORCPXOJNPY-UHFFFAOYSA-N -1 3 385.789 0.747 20 5 GCBDHM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000427804008 530896523 /nfs/dbraw/zinc/89/65/23/530896523.db2.gz YFXXBOUXZQTBHG-UHFFFAOYSA-N -1 3 376.192 0.927 20 5 GCBDHM CS[C@H](C)CNC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000269821861 530933703 /nfs/dbraw/zinc/93/37/03/530933703.db2.gz SWURQUGFNMBGIS-SNVBAGLBSA-N -1 3 376.460 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530950291 /nfs/dbraw/zinc/95/02/91/530950291.db2.gz GKIXZTPECIVIQB-VIFPVBQESA-N -1 3 397.862 0.808 20 5 GCBDHM NC(=O)[C@@]1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000576003414 530950805 /nfs/dbraw/zinc/95/08/05/530950805.db2.gz WTWTXSPSTGNMTE-LLVKDONJSA-N -1 3 383.304 0.536 20 5 GCBDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](C)O ZINC000416465775 531031570 /nfs/dbraw/zinc/03/15/70/531031570.db2.gz MWVYRQPGBYRALR-LDWIPMOCSA-N -1 3 386.304 0.814 20 5 GCBDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](C)O ZINC000416465778 531031870 /nfs/dbraw/zinc/03/18/70/531031870.db2.gz MWVYRQPGBYRALR-WKEGUHRASA-N -1 3 386.304 0.814 20 5 GCBDHM CCS(=O)(=O)N(C)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000056057243 531002544 /nfs/dbraw/zinc/00/25/44/531002544.db2.gz UBMVRWCHLRIXHL-UHFFFAOYSA-N -1 3 383.423 0.684 20 5 GCBDHM C[C@@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000270278736 531037190 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/nfs/dbraw/zinc/30/63/78/607306378.db2.gz MSNMPQGHEOTBQW-GWCFXTLKSA-N -1 3 385.388 0.853 20 5 GCBDHM Cn1ccnc1[C@@H](O)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000822699053 607306379 /nfs/dbraw/zinc/30/63/79/607306379.db2.gz MSNMPQGHEOTBQW-GWCFXTLKSA-N -1 3 385.388 0.853 20 5 GCBDHM CS(=O)(=O)NCCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737169252 599267190 /nfs/dbraw/zinc/26/71/90/599267190.db2.gz QQWIKXQKPAHYAJ-UHFFFAOYSA-N -1 3 392.401 0.674 20 5 GCBDHM CS(=O)(=O)NCCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737169252 599267192 /nfs/dbraw/zinc/26/71/92/599267192.db2.gz QQWIKXQKPAHYAJ-UHFFFAOYSA-N -1 3 392.401 0.674 20 5 GCBDHM O=[N+]([O-])c1ccc(NCCS(=O)(=O)N2CCSCC2)c(-c2nnn[n-]2)c1 ZINC000738369554 598426560 /nfs/dbraw/zinc/42/65/60/598426560.db2.gz IQPKPHYAFARPBH-UHFFFAOYSA-N -1 3 399.458 0.565 20 5 GCBDHM O=[N+]([O-])c1ccc(NCCS(=O)(=O)N2CCSCC2)c(-c2nn[n-]n2)c1 ZINC000738369554 598426561 /nfs/dbraw/zinc/42/65/61/598426561.db2.gz IQPKPHYAFARPBH-UHFFFAOYSA-N -1 3 399.458 0.565 20 5 GCBDHM O=C1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cn2)CCN1 ZINC000738306007 598498964 /nfs/dbraw/zinc/49/89/64/598498964.db2.gz GEBKZRDXGTZKEJ-UHFFFAOYSA-N -1 3 382.344 0.245 20 5 GCBDHM O=C1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cn2)CCN1 ZINC000738306007 598498965 /nfs/dbraw/zinc/49/89/65/598498965.db2.gz GEBKZRDXGTZKEJ-UHFFFAOYSA-N -1 3 382.344 0.245 20 5 GCBDHM O=C(c1ccccc1O)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000738277290 598499308 /nfs/dbraw/zinc/49/93/08/598499308.db2.gz BFZQPYDIBCAVJS-UHFFFAOYSA-N -1 3 396.367 0.838 20 5 GCBDHM Cc1cc(C)n(C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CCO2)n1 ZINC000737254781 598502323 /nfs/dbraw/zinc/50/23/23/598502323.db2.gz DNKOHMTZYWWQNT-ZDUSSCGKSA-N -1 3 385.388 0.889 20 5 GCBDHM Cc1cc(C)n(C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CCO2)n1 ZINC000737254781 598502325 /nfs/dbraw/zinc/50/23/25/598502325.db2.gz DNKOHMTZYWWQNT-ZDUSSCGKSA-N -1 3 385.388 0.889 20 5 GCBDHM Cc1nc(CN2CCCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)no1 ZINC000737477841 598502386 /nfs/dbraw/zinc/50/23/86/598502386.db2.gz PGURADOGZJAVFQ-UHFFFAOYSA-N -1 3 386.376 0.574 20 5 GCBDHM Cc1nc(CN2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)no1 ZINC000737477841 598502388 /nfs/dbraw/zinc/50/23/88/598502388.db2.gz PGURADOGZJAVFQ-UHFFFAOYSA-N -1 3 386.376 0.574 20 5 GCBDHM O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737877603 598806154 /nfs/dbraw/zinc/80/61/54/598806154.db2.gz JQSXJYWLSLWPNI-UHFFFAOYSA-N -1 3 394.307 0.405 20 5 GCBDHM O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737877603 598806155 /nfs/dbraw/zinc/80/61/55/598806155.db2.gz JQSXJYWLSLWPNI-UHFFFAOYSA-N -1 3 394.307 0.405 20 5 GCBDHM COCC(=O)N1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821680501 599480755 /nfs/dbraw/zinc/48/07/55/599480755.db2.gz LEZBDLNHVVQSDE-UHFFFAOYSA-N -1 3 398.383 0.618 20 5 GCBDHM COCC(=O)N1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821680501 599480756 /nfs/dbraw/zinc/48/07/56/599480756.db2.gz LEZBDLNHVVQSDE-UHFFFAOYSA-N -1 3 398.383 0.618 20 5 GCBDHM CN(C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1)c1cccnn1 ZINC000821597698 607382767 /nfs/dbraw/zinc/38/27/67/607382767.db2.gz CZXQQVPTNZXTLE-ZDUSSCGKSA-N -1 3 397.399 0.907 20 5 GCBDHM CN(C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1)c1cccnn1 ZINC000821597698 607382770 /nfs/dbraw/zinc/38/27/70/607382770.db2.gz CZXQQVPTNZXTLE-ZDUSSCGKSA-N -1 3 397.399 0.907 20 5 GCBDHM C[C@H]1CCCN(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1 ZINC000824947994 607588829 /nfs/dbraw/zinc/58/88/29/607588829.db2.gz SFEJTNDDOFEGAK-NSHDSACASA-N -1 3 395.445 0.785 20 5 GCBDHM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN3CCC[C@H]3C2)c1-c1nnn[n-]1 ZINC000826499992 607613985 /nfs/dbraw/zinc/61/39/85/607613985.db2.gz HLHUGAGMIDWJLG-JTQLQIEISA-N -1 3 379.402 0.244 20 5 GCBDHM C[C@@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000824977515 607670952 /nfs/dbraw/zinc/67/09/52/607670952.db2.gz QTGGWWKHUHDQQN-KOLCDFICSA-N -1 3 393.429 0.536 20 5 GCBDHM C[C@@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824977515 607670954 /nfs/dbraw/zinc/67/09/54/607670954.db2.gz QTGGWWKHUHDQQN-KOLCDFICSA-N -1 3 393.429 0.536 20 5 GCBDHM CC(C)OCCOC[C@@H](O)CN(C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820146853 606238742 /nfs/dbraw/zinc/23/87/42/606238742.db2.gz SKAIYBHMTPOZBN-LBPRGKRZSA-N -1 3 381.393 0.409 20 5 GCBDHM CC(C)OCCOC[C@@H](O)CN(C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820146853 606238743 /nfs/dbraw/zinc/23/87/43/606238743.db2.gz SKAIYBHMTPOZBN-LBPRGKRZSA-N -1 3 381.393 0.409 20 5 GCBDHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)OCCn1cnc([N+](=O)[O-])n1 ZINC000823060738 606400445 /nfs/dbraw/zinc/40/04/45/606400445.db2.gz JSWOHBMYBWPKEX-UHFFFAOYSA-N -1 3 390.385 0.843 20 5 GCBDHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)OCCn1cnc([N+](=O)[O-])n1 ZINC000823060738 606400446 /nfs/dbraw/zinc/40/04/46/606400446.db2.gz JSWOHBMYBWPKEX-UHFFFAOYSA-N -1 3 390.385 0.843 20 5 GCBDHM C[C@]1([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)NC(=O)NC1=O ZINC000820613145 606433987 /nfs/dbraw/zinc/43/39/87/606433987.db2.gz ULGZQLSRDVMJAZ-QLJPJBMISA-N -1 3 386.372 0.589 20 5 GCBDHM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820767263 606472662 /nfs/dbraw/zinc/47/26/62/606472662.db2.gz HELSGFHPCFTFRB-SKDRFNHKSA-N -1 3 381.418 0.857 20 5 GCBDHM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820767263 606472664 /nfs/dbraw/zinc/47/26/64/606472664.db2.gz HELSGFHPCFTFRB-SKDRFNHKSA-N -1 3 381.418 0.857 20 5 GCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCO[C@@H](CNc2cccnn2)C1 ZINC000823629795 606789469 /nfs/dbraw/zinc/78/94/69/606789469.db2.gz HGWODFYDYYPOFK-LBPRGKRZSA-N -1 3 383.372 0.882 20 5 GCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCO[C@@H](CNc2cccnn2)C1 ZINC000823629795 606789470 /nfs/dbraw/zinc/78/94/70/606789470.db2.gz HGWODFYDYYPOFK-LBPRGKRZSA-N -1 3 383.372 0.882 20 5 GCBDHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821932896 606807976 /nfs/dbraw/zinc/80/79/76/606807976.db2.gz TXOUPFHTSHJHQG-BXKDBHETSA-N -1 3 381.418 0.905 20 5 GCBDHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821932896 606807977 /nfs/dbraw/zinc/80/79/77/606807977.db2.gz TXOUPFHTSHJHQG-BXKDBHETSA-N -1 3 381.418 0.905 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823118968 607170285 /nfs/dbraw/zinc/17/02/85/607170285.db2.gz XPRMLQDXKMBMJF-UHFFFAOYSA-N -1 3 386.284 0.484 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823118968 607170286 /nfs/dbraw/zinc/17/02/86/607170286.db2.gz XPRMLQDXKMBMJF-UHFFFAOYSA-N -1 3 386.284 0.484 20 5 GCBDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000826413114 608057535 /nfs/dbraw/zinc/05/75/35/608057535.db2.gz RPEGKFUNLCHBLQ-UHFFFAOYSA-N -1 3 385.340 0.592 20 5 GCBDHM CCc1nnc([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)[nH]1 ZINC000825745834 608097914 /nfs/dbraw/zinc/09/79/14/608097914.db2.gz QBPSWEDOODKMOL-ZETCQYMHSA-N -1 3 393.389 0.495 20 5 GCBDHM CCc1nnc([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[nH]1 ZINC000825745834 608097915 /nfs/dbraw/zinc/09/79/15/608097915.db2.gz QBPSWEDOODKMOL-ZETCQYMHSA-N -1 3 393.389 0.495 20 5 GCBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826246596 608163664 /nfs/dbraw/zinc/16/36/64/608163664.db2.gz HJVILZKDEXQOOY-JKSUJKDBSA-N -1 3 398.379 0.908 20 5 GCBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826246596 608163666 /nfs/dbraw/zinc/16/36/66/608163666.db2.gz HJVILZKDEXQOOY-JKSUJKDBSA-N -1 3 398.379 0.908 20 5 GCBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826421851 608163804 /nfs/dbraw/zinc/16/38/04/608163804.db2.gz CAIWRPMQZKOWCE-DOTOQJQBSA-N -1 3 398.379 0.528 20 5 GCBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826421851 608163805 /nfs/dbraw/zinc/16/38/05/608163805.db2.gz CAIWRPMQZKOWCE-DOTOQJQBSA-N -1 3 398.379 0.528 20 5 GCBDHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCCNc1ccccc1[N+](=O)[O-] ZINC000826413879 608216290 /nfs/dbraw/zinc/21/62/90/608216290.db2.gz VLPPNNGBNCIDQQ-UHFFFAOYSA-N -1 3 383.372 0.810 20 5 GCBDHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCCNc1ccccc1[N+](=O)[O-] ZINC000826413879 608216292 /nfs/dbraw/zinc/21/62/92/608216292.db2.gz VLPPNNGBNCIDQQ-UHFFFAOYSA-N -1 3 383.372 0.810 20 5 GCBDHM COC(=O)[C@@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000826117021 608254740 /nfs/dbraw/zinc/25/47/40/608254740.db2.gz GYSXQYOSTJTOPN-LBPRGKRZSA-N -1 3 387.312 0.580 20 5 GCBDHM COC(=O)[C@@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000826117021 608254742 /nfs/dbraw/zinc/25/47/42/608254742.db2.gz GYSXQYOSTJTOPN-LBPRGKRZSA-N -1 3 387.312 0.580 20 5 GCBDHM NC(=O)c1cc([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000826392867 608293309 /nfs/dbraw/zinc/29/33/09/608293309.db2.gz QBHHGQDKIODDSX-JTQLQIEISA-N -1 3 383.372 0.981 20 5 GCBDHM NC(=O)c1cc([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000826392867 608293310 /nfs/dbraw/zinc/29/33/10/608293310.db2.gz QBHHGQDKIODDSX-JTQLQIEISA-N -1 3 383.372 0.981 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826424413 609289373 /nfs/dbraw/zinc/28/93/73/609289373.db2.gz LKJGKZBUCWZKTN-UHFFFAOYSA-N -1 3 398.318 0.935 20 5 GCBDHM O=C(Nc1ccncc1[N+](=O)[O-])N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826459036 609357017 /nfs/dbraw/zinc/35/70/17/609357017.db2.gz RXEQFTBKHAMOAL-UHFFFAOYSA-N -1 3 395.383 0.946 20 5 GCBDHM O=C(Nc1ccncc1[N+](=O)[O-])N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826459036 609357020 /nfs/dbraw/zinc/35/70/20/609357020.db2.gz RXEQFTBKHAMOAL-UHFFFAOYSA-N -1 3 395.383 0.946 20 5 GCBDHM O=C(Nc1ccncc1[N+](=O)[O-])N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826459202 609357049 /nfs/dbraw/zinc/35/70/49/609357049.db2.gz ZGWFPDVCCIXFIT-UHFFFAOYSA-N -1 3 396.371 0.341 20 5 GCBDHM O=C(Nc1ccncc1[N+](=O)[O-])N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826459202 609357051 /nfs/dbraw/zinc/35/70/51/609357051.db2.gz ZGWFPDVCCIXFIT-UHFFFAOYSA-N -1 3 396.371 0.341 20 5 GCBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826396159 609385459 /nfs/dbraw/zinc/38/54/59/609385459.db2.gz KDAWPMPZXLWMKN-UHFFFAOYSA-N -1 3 398.339 0.225 20 5 GCBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826396159 609385463 /nfs/dbraw/zinc/38/54/63/609385463.db2.gz KDAWPMPZXLWMKN-UHFFFAOYSA-N -1 3 398.339 0.225 20 5 GCBDHM O=C(COC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000826414545 609629503 /nfs/dbraw/zinc/62/95/03/609629503.db2.gz AUYRWMIMGIKSTM-HNNXBMFYSA-N -1 3 398.335 0.990 20 5 GCBDHM O=C(COC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000826414545 609629504 /nfs/dbraw/zinc/62/95/04/609629504.db2.gz AUYRWMIMGIKSTM-HNNXBMFYSA-N -1 3 398.335 0.990 20 5 GCBDHM O=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)NC1CC1 ZINC000746618259 640297888 /nfs/dbraw/zinc/29/78/88/640297888.db2.gz GCENFBIMBSBIJG-UHFFFAOYSA-N -1 3 378.204 0.914 20 5 GCBDHM CNC(=O)Cn1cnc([N-]C(=O)c2cccc([N+](=O)[O-])c2Br)n1 ZINC000758496785 640532587 /nfs/dbraw/zinc/53/25/87/640532587.db2.gz UESOQMCWALPDJX-UHFFFAOYSA-N -1 3 383.162 0.947 20 5 GCBDHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])cc1F ZINC000760365770 640568858 /nfs/dbraw/zinc/56/88/58/640568858.db2.gz RFCBMUCTMNLYPR-UHFFFAOYSA-N -1 3 390.374 0.838 20 5 GCBDHM O=C(NN1CC(=O)[N-]C1=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000766062935 640689250 /nfs/dbraw/zinc/68/92/50/640689250.db2.gz YUWIHMWTNNPTBB-UHFFFAOYSA-N -1 3 390.093 0.396 20 5 GCBDHM O=C([N-]N1CC(=O)NC1=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000766062935 640689252 /nfs/dbraw/zinc/68/92/52/640689252.db2.gz YUWIHMWTNNPTBB-UHFFFAOYSA-N -1 3 390.093 0.396 20 5 GCBDHM Cc1noc(COC(=O)c2ccc(S(=O)(=O)[N-]CCO)s2)c1[N+](=O)[O-] ZINC000853900978 642810435 /nfs/dbraw/zinc/81/04/35/642810435.db2.gz NGFZDIFQOLLHAR-UHFFFAOYSA-N -1 3 391.383 0.580 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC(CO)(CO)C2)c(Br)c1 ZINC001670735892 1186337571 /nfs/dbraw/zinc/33/75/71/1186337571.db2.gz SEAKDUFCNKSFMP-UHFFFAOYSA-N -1 3 395.231 0.769 20 5 GCBDHM COC(=O)[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)Cc1ccc([O-])c(F)c1 ZINC000422046745 1194379702 /nfs/dbraw/zinc/37/97/02/1194379702.db2.gz UCGKVBMBASCUIG-NSHDSACASA-N -1 3 380.332 0.784 20 5 GCBDHM NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCNC(=O)c1ccc([O-])cc1 ZINC000436723731 1195029853 /nfs/dbraw/zinc/02/98/53/1195029853.db2.gz VUPQYFCIBRQFGJ-UHFFFAOYSA-N -1 3 380.382 0.790 20 5 GCBDHM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436739120 1195030530 /nfs/dbraw/zinc/03/05/30/1195030530.db2.gz NBNWKWALCBMXMW-UHFFFAOYSA-N -1 3 386.364 0.447 20 5 GCBDHM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000536326996 1195731422 /nfs/dbraw/zinc/73/14/22/1195731422.db2.gz AXIHPXAWFGZYRX-HUUCEWRRSA-N -1 3 392.437 0.904 20 5 GCBDHM Cc1cc(C(=O)NCC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)ccc1[N+](=O)[O-] ZINC000143322731 1196417443 /nfs/dbraw/zinc/41/74/43/1196417443.db2.gz WNTRMRDNNPSYIW-UHFFFAOYSA-N -1 3 397.347 0.802 20 5 GCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000523693909 1196550180 /nfs/dbraw/zinc/55/01/80/1196550180.db2.gz ILRORHDICOQKIA-GHMZBOCLSA-N -1 3 393.425 0.889 20 5 GCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000524409305 1196593055 /nfs/dbraw/zinc/59/30/55/1196593055.db2.gz WTEKOFPQYPWEIK-MNOVXSKESA-N -1 3 377.357 0.421 20 5 GCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826366823 948144615 /nfs/dbraw/zinc/14/46/15/948144615.db2.gz ZIEUNGSFGRLBKU-UHFFFAOYSA-N -1 3 394.355 0.829 20 5 GCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826366823 948144620 /nfs/dbraw/zinc/14/46/20/948144620.db2.gz ZIEUNGSFGRLBKU-UHFFFAOYSA-N -1 3 394.355 0.829 20 5 GCBDHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000826395619 948205009 /nfs/dbraw/zinc/20/50/09/948205009.db2.gz LHTHLWPUIDAJOS-UHFFFAOYSA-N -1 3 388.300 0.139 20 5 GCBDHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000826395619 948205021 /nfs/dbraw/zinc/20/50/21/948205021.db2.gz LHTHLWPUIDAJOS-UHFFFAOYSA-N -1 3 388.300 0.139 20 5 GCBDHM O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2cnccc2-c2nnn[n-]2)c1 ZINC000826500448 948415851 /nfs/dbraw/zinc/41/58/51/948415851.db2.gz YPPJBPLESPQKBL-UHFFFAOYSA-N -1 3 390.385 0.560 20 5 GCBDHM O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2cnccc2-c2nn[n-]n2)c1 ZINC000826500448 948415856 /nfs/dbraw/zinc/41/58/56/948415856.db2.gz YPPJBPLESPQKBL-UHFFFAOYSA-N -1 3 390.385 0.560 20 5 GCBDHM O=C([O-])[C@@]1(N2CCN(c3ncnc4sc([N+](=O)[O-])cc43)CC2)CCOC1 ZINC001331731727 961384605 /nfs/dbraw/zinc/38/46/05/961384605.db2.gz XPNGIUNHKRPWGK-OAHLLOKOSA-N -1 3 379.398 0.965 20 5 GCBDHM CC(C)(C(=O)[O-])N1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC001589629410 987535741 /nfs/dbraw/zinc/53/57/41/987535741.db2.gz YFKRLCVKQDKGSN-UHFFFAOYSA-N -1 3 376.413 0.965 20 5 GCBDHM CN(C)[C@H](CNC(=O)Cn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O)c1ccccc1 ZINC001598169936 990694695 /nfs/dbraw/zinc/69/46/95/990694695.db2.gz KAMXARYTNHHWDF-OAHLLOKOSA-N -1 3 388.380 0.874 20 5 GCBDHM CN1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C[C@@H](C(=O)[O-])C1 ZINC001598607386 993691165 /nfs/dbraw/zinc/69/11/65/993691165.db2.gz NMIUBLQIRADINQ-LBPRGKRZSA-N -1 3 388.380 0.997 20 5 GCBDHM C[C@H](NC(=O)c1ccc(N2CCN3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171142 994029863 /nfs/dbraw/zinc/02/98/63/994029863.db2.gz RXRIDDBPFVMZRT-WCFLWFBJSA-N -1 3 378.385 0.053 20 5 GCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000285528063 530114247 /nfs/dbraw/zinc/11/42/47/530114247.db2.gz SEEREWKCKRUMTK-LLVKDONJSA-N -1 3 389.455 0.830 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCS(=O)(=O)[C@H]1C ZINC000293093019 530120659 /nfs/dbraw/zinc/12/06/59/530120659.db2.gz VVLAATFRYAKBBS-KWQFWETISA-N -1 3 392.411 0.235 20 5 GCBDHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H](C)O ZINC000275849879 530137323 /nfs/dbraw/zinc/13/73/23/530137323.db2.gz XCEJVOUVIITXLY-QUBYGPBYSA-N -1 3 386.304 0.814 20 5 GCBDHM CCn1cc(S(=O)(=O)[N-]CCCN2CCCO[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000432291935 530189417 /nfs/dbraw/zinc/18/94/17/530189417.db2.gz PGDPXZHHVJXXKL-GFCCVEGCSA-N -1 3 375.451 0.590 20 5 GCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000537182942 530194171 /nfs/dbraw/zinc/19/41/71/530194171.db2.gz JTECRTYVAXHHFU-SMDDNHRTSA-N -1 3 390.439 0.609 20 5 GCBDHM O=C1NCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000331322599 530196563 /nfs/dbraw/zinc/19/65/63/530196563.db2.gz CSRAWDRPRWQSMF-SECBINFHSA-N -1 3 378.204 0.914 20 5 GCBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@@H]2COCCN2)c1 ZINC000599108986 530159979 /nfs/dbraw/zinc/15/99/79/530159979.db2.gz YAZZYEIPIFNESR-SECBINFHSA-N -1 3 380.220 0.624 20 5 GCBDHM COC(=O)COCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000599446687 530162000 /nfs/dbraw/zinc/16/20/00/530162000.db2.gz JATWJXYIDPFQKH-UHFFFAOYSA-N -1 3 397.203 0.825 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CCSC)C(N)=O ZINC000599402078 530163375 /nfs/dbraw/zinc/16/33/75/530163375.db2.gz IIEKPGSRORGITM-JTQLQIEISA-N -1 3 391.427 0.267 20 5 GCBDHM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000599476032 530164076 /nfs/dbraw/zinc/16/40/76/530164076.db2.gz HIEPGJANVUBJCR-UHFFFAOYSA-N -1 3 393.805 0.596 20 5 GCBDHM COC(=O)C[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599462972 530165203 /nfs/dbraw/zinc/16/52/03/530165203.db2.gz SPFYEBREGACPBB-QMMMGPOBSA-N -1 3 386.304 0.816 20 5 GCBDHM COC(=O)C[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599462970 530165365 /nfs/dbraw/zinc/16/53/65/530165365.db2.gz SPFYEBREGACPBB-MRVPVSSYSA-N -1 3 386.304 0.816 20 5 GCBDHM CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000511326222 530178849 /nfs/dbraw/zinc/17/88/49/530178849.db2.gz NAVNOVCKSYGTBG-NEPJUHHUSA-N -1 3 391.471 0.981 20 5 GCBDHM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000287457080 530239695 /nfs/dbraw/zinc/23/96/95/530239695.db2.gz OSKVNPBKSSTBDZ-MRVPVSSYSA-N -1 3 379.322 0.909 20 5 GCBDHM C[C@H]1CSC[C@H]1NC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000561925678 530247053 /nfs/dbraw/zinc/24/70/53/530247053.db2.gz PYKZTEGISFPRIQ-WDEREUQCSA-N -1 3 388.471 0.924 20 5 GCBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC[C@@](F)(CO)C1 ZINC000286734821 530218381 /nfs/dbraw/zinc/21/83/81/530218381.db2.gz IEHVVNDAFQFLMM-AWEZNQCLSA-N -1 3 375.378 0.196 20 5 GCBDHM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000612631904 530270634 /nfs/dbraw/zinc/27/06/34/530270634.db2.gz XVHIDTPXQFVDED-JTQLQIEISA-N -1 3 397.203 0.560 20 5 GCBDHM CS(=O)(=O)N1CC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000513110622 530252751 /nfs/dbraw/zinc/25/27/51/530252751.db2.gz RAKARBQFXASGRF-VIFPVBQESA-N -1 3 397.862 0.808 20 5 GCBDHM CN1C(=O)C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1=O ZINC000287588049 530252993 /nfs/dbraw/zinc/25/29/93/530252993.db2.gz YOADXQKHMARVDQ-MRVPVSSYSA-N -1 3 392.187 0.393 20 5 GCBDHM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000451647743 530256160 /nfs/dbraw/zinc/25/61/60/530256160.db2.gz JHLQDHJXWAACLA-AWEZNQCLSA-N -1 3 376.387 0.447 20 5 GCBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CNS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000409827515 530301600 /nfs/dbraw/zinc/30/16/00/530301600.db2.gz IIOCIXQEDMEWDP-RYUDHWBXSA-N -1 3 391.471 0.899 20 5 GCBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000409827514 530301903 /nfs/dbraw/zinc/30/19/03/530301903.db2.gz IIOCIXQEDMEWDP-NWDGAFQWSA-N -1 3 391.471 0.899 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]CC(C)(C)NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000614547170 530309622 /nfs/dbraw/zinc/30/96/22/530309622.db2.gz OUWXVXDNLFSSRL-UHFFFAOYSA-N -1 3 399.422 0.349 20 5 GCBDHM CS(=O)(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000516974984 530314202 /nfs/dbraw/zinc/31/42/02/530314202.db2.gz PEYSRPIOQKEBAX-MRVPVSSYSA-N -1 3 383.835 0.560 20 5 GCBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CCC1CS(=O)(=O)C1)OCCO2 ZINC000615747774 530314532 /nfs/dbraw/zinc/31/45/32/530314532.db2.gz ZBAFUGALLBRHBJ-UHFFFAOYSA-N -1 3 392.411 0.079 20 5 GCBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CS(=O)(=O)CCO2)c1[N+](=O)[O-] ZINC000480692748 530342466 /nfs/dbraw/zinc/34/24/66/530342466.db2.gz KPHVYJCCJUYMCA-LLVKDONJSA-N -1 3 378.428 0.304 20 5 GCBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCCN(C)S(C)(=O)=O)c1[N+](=O)[O-] ZINC000616408925 530372311 /nfs/dbraw/zinc/37/23/11/530372311.db2.gz YOQKPKATKCWQOT-UHFFFAOYSA-N -1 3 379.460 0.771 20 5 GCBDHM O=C1CNC(=O)N1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000264507056 530371206 /nfs/dbraw/zinc/37/12/06/530371206.db2.gz RIFWSOVNKZLSBK-UHFFFAOYSA-N -1 3 376.778 0.468 20 5 GCBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000465501273 530470597 /nfs/dbraw/zinc/47/05/97/530470597.db2.gz UDKMADWOLHPYJL-NEPJUHHUSA-N -1 3 391.471 0.899 20 5 GCBDHM COCCN1CC[C@H]([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000275737870 530499093 /nfs/dbraw/zinc/49/90/93/530499093.db2.gz YXESJZCAMMWHKM-JTQLQIEISA-N -1 3 377.394 0.742 20 5 GCBDHM COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)OC ZINC000291643482 530495016 /nfs/dbraw/zinc/49/50/16/530495016.db2.gz APRVOLRXHMSFRI-JTQLQIEISA-N -1 3 397.203 0.824 20 5 GCBDHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)OC ZINC000291836708 530502231 /nfs/dbraw/zinc/50/22/31/530502231.db2.gz CEMZAGKKVSAMEP-SECBINFHSA-N -1 3 397.203 0.824 20 5 GCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNS(=O)(=O)N1CCCCC1 ZINC000265265055 530526704 /nfs/dbraw/zinc/52/67/04/530526704.db2.gz DNBRLOUFKMLXTI-UHFFFAOYSA-N -1 3 392.459 0.193 20 5 GCBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC(F)(F)C1 ZINC000292084316 530527052 /nfs/dbraw/zinc/52/70/52/530527052.db2.gz IJQOXMWBJCLKNS-UHFFFAOYSA-N -1 3 379.341 0.367 20 5 GCBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H]2CCS(=O)(=O)C2)c1 ZINC000066568726 530558433 /nfs/dbraw/zinc/55/84/33/530558433.db2.gz IFZGSVDZWVXXSI-QMMMGPOBSA-N -1 3 399.244 0.823 20 5 GCBDHM CCS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000438889339 530572227 /nfs/dbraw/zinc/57/22/27/530572227.db2.gz ZCMOBHKGWDRXLT-UHFFFAOYSA-N -1 3 377.444 0.463 20 5 GCBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)N1CCOCC1 ZINC000267610169 530587753 /nfs/dbraw/zinc/58/77/53/530587753.db2.gz HJJOEWGRPVCFJP-LBPRGKRZSA-N -1 3 375.378 0.650 20 5 GCBDHM CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000268833374 530693869 /nfs/dbraw/zinc/69/38/69/530693869.db2.gz FYLNKFYIMNKDBX-UHFFFAOYSA-N -1 3 379.460 0.819 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCS(=O)(=O)NCC2CCC2)c(F)c1 ZINC000068938916 530753332 /nfs/dbraw/zinc/75/33/32/530753332.db2.gz YKJULWHSAJMMKA-UHFFFAOYSA-N -1 3 395.434 0.732 20 5 GCBDHM CS(=O)(=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269498238 530756384 /nfs/dbraw/zinc/75/63/84/530756384.db2.gz VYEOXHSICNBEBH-UHFFFAOYSA-N -1 3 387.233 0.680 20 5 GCBDHM CC[C@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000295717376 530781469 /nfs/dbraw/zinc/78/14/69/530781469.db2.gz LIXGWTOCKVGOPZ-MRVPVSSYSA-N -1 3 399.422 0.349 20 5 GCBDHM CS(=O)(=O)N[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000445035605 530801818 /nfs/dbraw/zinc/80/18/18/530801818.db2.gz CECFTDRACXZVAG-NWDGAFQWSA-N -1 3 395.434 0.873 20 5 GCBDHM COCCOCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273222571 530801878 /nfs/dbraw/zinc/80/18/78/530801878.db2.gz VEQXRKXORMKJQD-UHFFFAOYSA-N -1 3 376.387 0.713 20 5 GCBDHM CS(=O)(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000067878334 530792355 /nfs/dbraw/zinc/79/23/55/530792355.db2.gz SNCONFCXBSJNOR-SNVBAGLBSA-N -1 3 397.862 0.951 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CS(C)(=O)=O ZINC000273455613 530813633 /nfs/dbraw/zinc/81/36/33/530813633.db2.gz DBQJMPFGEBOVSO-QMMMGPOBSA-N -1 3 380.400 0.093 20 5 GCBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]CCS(=O)(=O)NCC1CCC1 ZINC000273462256 530813656 /nfs/dbraw/zinc/81/36/56/530813656.db2.gz BQEOOTURQNXETH-UHFFFAOYSA-N -1 3 391.471 0.734 20 5 GCBDHM COCCOC[C@@H](C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000462418008 530816003 /nfs/dbraw/zinc/81/60/03/530816003.db2.gz FYHDBQQRNPGVME-SNVBAGLBSA-N -1 3 376.387 0.696 20 5 GCBDHM CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593599244 530820261 /nfs/dbraw/zinc/82/02/61/530820261.db2.gz RVJYVLQDWAOIJL-PWSUYJOCSA-N -1 3 392.459 0.376 20 5 GCBDHM CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593599242 530820327 /nfs/dbraw/zinc/82/03/27/530820327.db2.gz RVJYVLQDWAOIJL-CMPLNLGQSA-N -1 3 392.459 0.376 20 5 GCBDHM CCN1C[C@H](C[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CC1=O ZINC000593640451 530823313 /nfs/dbraw/zinc/82/33/13/530823313.db2.gz GZVFMQZOLYHAIH-VIFPVBQESA-N -1 3 375.378 0.889 20 5 GCBDHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000130975563 530874349 /nfs/dbraw/zinc/87/43/49/530874349.db2.gz SGTFKNGEZHYHMG-UHFFFAOYSA-N -1 3 383.158 0.524 20 5 GCBDHM NC(=O)[C@@]1([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCOC1 ZINC000594493617 530867389 /nfs/dbraw/zinc/86/73/89/530867389.db2.gz UHGMXAQITTYTTE-LLVKDONJSA-N -1 3 394.203 0.280 20 5 GCBDHM COC(=O)[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000486516706 530845625 /nfs/dbraw/zinc/84/56/25/530845625.db2.gz JEMQEBNHGWFIGO-QMMMGPOBSA-N -1 3 383.176 0.170 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C(N)=O)O2)cc1[N+](=O)[O-] ZINC000275085622 530906393 /nfs/dbraw/zinc/90/63/93/530906393.db2.gz PABAKYSYGGNTTM-CPCISQLKSA-N -1 3 377.350 0.054 20 5 GCBDHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)[C@@H](C)O ZINC000275813712 530909405 /nfs/dbraw/zinc/90/94/05/530909405.db2.gz RDPRCYRZDISKIO-LHLIQPBNSA-N -1 3 397.203 0.558 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@](C)(O)CSC ZINC000276238523 530910443 /nfs/dbraw/zinc/91/04/43/530910443.db2.gz PYJGLONZHHFPPG-CYBMUJFWSA-N -1 3 378.428 0.774 20 5 GCBDHM CS(=O)(=O)NCCC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594745352 530879081 /nfs/dbraw/zinc/87/90/81/530879081.db2.gz FVPZQMNQBVUANR-UHFFFAOYSA-N -1 3 388.427 0.361 20 5 GCBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C[C@@H]1CCS(=O)(=O)C1 ZINC000594748068 530879371 /nfs/dbraw/zinc/87/93/71/530879371.db2.gz ZXLLOSFBUKJASW-JTQLQIEISA-N -1 3 385.423 0.856 20 5 GCBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C[C@@H]1CCCS1(=O)=O ZINC000594763795 530880239 /nfs/dbraw/zinc/88/02/39/530880239.db2.gz AZYTXGHOEYMLLF-JTQLQIEISA-N -1 3 385.423 0.999 20 5 GCBDHM CO[C@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000594820507 530885348 /nfs/dbraw/zinc/88/53/48/530885348.db2.gz AXDWEMGLZNCGOB-JQWIXIFHSA-N -1 3 378.428 0.302 20 5 GCBDHM C[S@](=O)C1(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000443082412 530889761 /nfs/dbraw/zinc/88/97/61/530889761.db2.gz AVPPCIAKSMRXCO-QHCPKHFHSA-N -1 3 376.412 0.555 20 5 GCBDHM COc1ccc(S(=O)(=O)[N-]CC(C)(C)NS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000068940874 530896506 /nfs/dbraw/zinc/89/65/06/530896506.db2.gz CKTVHIYXMUDTJE-UHFFFAOYSA-N -1 3 381.432 0.210 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]CCS(=O)(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000491203709 530929931 /nfs/dbraw/zinc/92/99/31/530929931.db2.gz SWVGAORLVASOCD-UHFFFAOYSA-N -1 3 397.406 0.103 20 5 GCBDHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCc1ccccc1[N+](=O)[O-] ZINC000053867265 530929958 /nfs/dbraw/zinc/92/99/58/530929958.db2.gz ZAJKQQWGFSPJLZ-UHFFFAOYSA-N -1 3 383.158 0.524 20 5 GCBDHM COC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000271808603 530932882 /nfs/dbraw/zinc/93/28/82/530932882.db2.gz XZIVKRDXOCIPDI-VIFPVBQESA-N -1 3 383.176 0.170 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000493659897 530934141 /nfs/dbraw/zinc/93/41/41/530934141.db2.gz QSMCBSNAGGZZOX-VIFPVBQESA-N -1 3 396.418 0.988 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000467393456 530915540 /nfs/dbraw/zinc/91/55/40/530915540.db2.gz KWNOIVMPRNJWRN-SECBINFHSA-N -1 3 383.473 0.667 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCS(=O)(=O)C1 ZINC000469180148 530918371 /nfs/dbraw/zinc/91/83/71/530918371.db2.gz DLFLZBYDOMUJIT-SECBINFHSA-N -1 3 392.411 0.094 20 5 GCBDHM C[C@H](C[S@@](C)=O)N(C)C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280902188 530920388 /nfs/dbraw/zinc/92/03/88/530920388.db2.gz DXJBLOHRWIDTRY-DJNLSKAYSA-N -1 3 377.444 0.099 20 5 GCBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1CSCCS1 ZINC000281350450 530922056 /nfs/dbraw/zinc/92/20/56/530922056.db2.gz VIGCRIPWJHXFMA-SNVBAGLBSA-N -1 3 391.496 0.838 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)C(=O)NCCF ZINC000282307294 530923130 /nfs/dbraw/zinc/92/31/30/530923130.db2.gz MOXPFSDZQASNIS-QMMMGPOBSA-N -1 3 377.350 0.134 20 5 GCBDHM CN1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1=O ZINC000472759836 530924129 /nfs/dbraw/zinc/92/41/29/530924129.db2.gz NMBQUWCUHAELFM-VIFPVBQESA-N -1 3 378.204 0.866 20 5 GCBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C[C@@]1(O)CCSC1)OCCO2 ZINC000269779654 530926901 /nfs/dbraw/zinc/92/69/01/530926901.db2.gz HYHRGCMFRUXBAB-ZDUSSCGKSA-N -1 3 376.412 0.512 20 5 GCBDHM O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NC1(C(F)F)CC1 ZINC000507204370 530941050 /nfs/dbraw/zinc/94/10/50/530941050.db2.gz KTUPJASFIPUSBR-UHFFFAOYSA-N -1 3 378.357 0.970 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CS(=O)(=O)CCO2)c(Cl)c1 ZINC000507936369 530941993 /nfs/dbraw/zinc/94/19/93/530941993.db2.gz MKNCDKNEEZPMTE-SECBINFHSA-N -1 3 384.819 0.340 20 5 GCBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCN(S(C)(=O)=O)C2)cc1C ZINC000269875591 530951230 /nfs/dbraw/zinc/95/12/30/530951230.db2.gz PFGDBWXOJIFJII-GFCCVEGCSA-N -1 3 391.471 0.771 20 5 GCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCN1C(=O)CSC1=O ZINC000053668480 530987124 /nfs/dbraw/zinc/98/71/24/530987124.db2.gz RYSXKLLOSDPUGI-UHFFFAOYSA-N -1 3 375.384 0.577 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@]2(O)CCOC2)c(Br)c1 ZINC000270012009 530988423 /nfs/dbraw/zinc/98/84/23/530988423.db2.gz USJHEUBCRLIBML-LLVKDONJSA-N -1 3 381.204 0.787 20 5 GCBDHM CS[C@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000270355055 531086799 /nfs/dbraw/zinc/08/67/99/531086799.db2.gz DLSUGBIVJJPBBH-PRHODGIISA-N -1 3 378.428 0.757 20 5 GCBDHM Cn1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])nc1Cl ZINC000822685357 607258927 /nfs/dbraw/zinc/25/89/27/607258927.db2.gz XVLZEODLNHJSNL-UHFFFAOYSA-N -1 3 385.749 0.930 20 5 GCBDHM Cn1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])nc1Cl ZINC000822685357 607258928 /nfs/dbraw/zinc/25/89/28/607258928.db2.gz XVLZEODLNHJSNL-UHFFFAOYSA-N -1 3 385.749 0.930 20 5 GCBDHM O=C(Nc1ccncc1-c1nnn[n-]1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000738194259 599252759 /nfs/dbraw/zinc/25/27/59/599252759.db2.gz BLURBUCWIWXNOG-UHFFFAOYSA-N -1 3 378.312 0.425 20 5 GCBDHM O=C(Nc1ccncc1-c1nn[n-]n1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000738194259 599252761 /nfs/dbraw/zinc/25/27/61/599252761.db2.gz BLURBUCWIWXNOG-UHFFFAOYSA-N -1 3 378.312 0.425 20 5 GCBDHM O=[N+]([O-])c1cc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)ccc1-c1nnn[n-]1 ZINC000823635308 607345748 /nfs/dbraw/zinc/34/57/48/607345748.db2.gz VFYIFUMDTALQHJ-LBPRGKRZSA-N -1 3 393.429 0.084 20 5 GCBDHM CC(C)(C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)n1cc([N+](=O)[O-])cn1 ZINC000735575054 598329643 /nfs/dbraw/zinc/32/96/43/598329643.db2.gz OOEXDEAFSZEHBP-UHFFFAOYSA-N -1 3 386.376 0.330 20 5 GCBDHM CC(C)(C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)n1cc([N+](=O)[O-])cn1 ZINC000735575054 598329644 /nfs/dbraw/zinc/32/96/44/598329644.db2.gz OOEXDEAFSZEHBP-UHFFFAOYSA-N -1 3 386.376 0.330 20 5 GCBDHM CCOC[C@@H](O)CN1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000736609220 598338660 /nfs/dbraw/zinc/33/86/60/598338660.db2.gz PDHBFIQVUXQGQH-ZDUSSCGKSA-N -1 3 377.405 0.294 20 5 GCBDHM Cc1nnc(CN2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)n1C ZINC000737520382 598340057 /nfs/dbraw/zinc/34/00/57/598340057.db2.gz HIZBDIHLJCTGPE-UHFFFAOYSA-N -1 3 384.404 0.534 20 5 GCBDHM Cc1nnc(CN2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)n1C ZINC000737520382 598340061 /nfs/dbraw/zinc/34/00/61/598340061.db2.gz HIZBDIHLJCTGPE-UHFFFAOYSA-N -1 3 384.404 0.534 20 5 GCBDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000737890114 598405078 /nfs/dbraw/zinc/40/50/78/598405078.db2.gz SFWUFFDHOQIKFU-UHFFFAOYSA-N -1 3 395.379 0.864 20 5 GCBDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000737890114 598405080 /nfs/dbraw/zinc/40/50/80/598405080.db2.gz SFWUFFDHOQIKFU-UHFFFAOYSA-N -1 3 395.379 0.864 20 5 GCBDHM Cn1c(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)ccc1[N+](=O)[O-] ZINC000737594198 598448761 /nfs/dbraw/zinc/44/87/61/598448761.db2.gz SQZUWDYHJGJWER-UHFFFAOYSA-N -1 3 397.399 0.907 20 5 GCBDHM Cn1c(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)ccc1[N+](=O)[O-] ZINC000737594198 598448763 /nfs/dbraw/zinc/44/87/63/598448763.db2.gz SQZUWDYHJGJWER-UHFFFAOYSA-N -1 3 397.399 0.907 20 5 GCBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737050242 598477309 /nfs/dbraw/zinc/47/73/09/598477309.db2.gz CIFWHOLMFJGYAM-UHFFFAOYSA-N -1 3 399.323 0.974 20 5 GCBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737050242 598477310 /nfs/dbraw/zinc/47/73/10/598477310.db2.gz CIFWHOLMFJGYAM-UHFFFAOYSA-N -1 3 399.323 0.974 20 5 GCBDHM CN(C(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000736737703 598479691 /nfs/dbraw/zinc/47/96/91/598479691.db2.gz VLOIHKLCQRJPBQ-UHFFFAOYSA-N -1 3 383.324 0.990 20 5 GCBDHM CN(C(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000736737703 598479692 /nfs/dbraw/zinc/47/96/92/598479692.db2.gz VLOIHKLCQRJPBQ-UHFFFAOYSA-N -1 3 383.324 0.990 20 5 GCBDHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000737770452 598602924 /nfs/dbraw/zinc/60/29/24/598602924.db2.gz IYHOSVXXCKZAEH-UHFFFAOYSA-N -1 3 390.385 0.889 20 5 GCBDHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000737770452 598602926 /nfs/dbraw/zinc/60/29/26/598602926.db2.gz IYHOSVXXCKZAEH-UHFFFAOYSA-N -1 3 390.385 0.889 20 5 GCBDHM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737846281 598660183 /nfs/dbraw/zinc/66/01/83/598660183.db2.gz ITFHSSLBXQTOHP-UHFFFAOYSA-N -1 3 382.340 0.929 20 5 GCBDHM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737846281 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ZINC000480927954 530366050 /nfs/dbraw/zinc/36/60/50/530366050.db2.gz NWFMAGHHSYLJNV-UHFFFAOYSA-N -1 3 391.471 0.914 20 5 GCBDHM O=C([N-]C1=NCCS1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000264850931 530475051 /nfs/dbraw/zinc/47/50/51/530475051.db2.gz MNSIUNPOUSQXNY-LBPRGKRZSA-N -1 3 384.439 0.967 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](CO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000481588767 530487845 /nfs/dbraw/zinc/48/78/45/530487845.db2.gz PETWXEJNJWDWDP-GFCCVEGCSA-N -1 3 378.378 0.808 20 5 GCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCS(=O)(=O)NC(C)(C)C ZINC000603640173 530491609 /nfs/dbraw/zinc/49/16/09/530491609.db2.gz ADTKCHMILYMCPZ-UHFFFAOYSA-N -1 3 395.459 0.600 20 5 GCBDHM Cc1cc(CS(=O)(=O)[N-]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)on1 ZINC000543686208 530500997 /nfs/dbraw/zinc/50/09/97/530500997.db2.gz BIKACQBQWHMMCE-UHFFFAOYSA-N -1 3 389.411 0.785 20 5 GCBDHM O=C1[N-]C(=O)C2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)N1 ZINC000056034980 530495786 /nfs/dbraw/zinc/49/57/86/530495786.db2.gz SLRIGZQZJGTWAU-UHFFFAOYSA-N -1 3 388.789 0.611 20 5 GCBDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H](C)O ZINC000275775473 530509775 /nfs/dbraw/zinc/50/97/75/530509775.db2.gz MQPRKRIGIBRECF-WKEGUHRASA-N -1 3 397.203 0.558 20 5 GCBDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)[C@@H](C)O ZINC000275813709 530519782 /nfs/dbraw/zinc/51/97/82/530519782.db2.gz RDPRCYRZDISKIO-LDWIPMOCSA-N -1 3 397.203 0.558 20 5 GCBDHM O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CSCCS1 ZINC000265302498 530527622 /nfs/dbraw/zinc/52/76/22/530527622.db2.gz YKPGZLRWSICGBA-NSHDSACASA-N -1 3 391.496 0.838 20 5 GCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CCN(S(C)(=O)=O)CC1 ZINC000046033605 530556379 /nfs/dbraw/zinc/55/63/79/530556379.db2.gz LLHSMQSAMHUALS-UHFFFAOYSA-N -1 3 377.444 0.606 20 5 GCBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCCCS2(=O)=O)c([N+](=O)[O-])c1 ZINC000544103821 530570480 /nfs/dbraw/zinc/57/04/80/530570480.db2.gz ZHWIAOQTQDLOKS-LLVKDONJSA-N -1 3 378.428 0.849 20 5 GCBDHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000053217239 530591219 /nfs/dbraw/zinc/59/12/19/530591219.db2.gz FYZNFBJMPOHHLM-UHFFFAOYSA-N -1 3 397.185 0.566 20 5 GCBDHM C[C@@H](O)CN(CC(F)F)C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000456575315 530682655 /nfs/dbraw/zinc/68/26/55/530682655.db2.gz IHRRPZQUKOQZDQ-SECBINFHSA-N -1 3 381.357 0.348 20 5 GCBDHM CS(=O)(=O)CC[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000268881301 530694480 /nfs/dbraw/zinc/69/44/80/530694480.db2.gz RQIICNLSGAMHEG-UHFFFAOYSA-N -1 3 387.233 0.680 20 5 GCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCN(S(C)(=O)=O)C2)c1C ZINC000268837870 530694691 /nfs/dbraw/zinc/69/46/91/530694691.db2.gz HGGQYCWXXMJNGN-LBPRGKRZSA-N -1 3 391.471 0.914 20 5 GCBDHM COCCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000485919929 530744957 /nfs/dbraw/zinc/74/49/57/530744957.db2.gz IFBKXRYKIWIOTR-CHWSQXEVSA-N -1 3 378.378 0.833 20 5 GCBDHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000591784448 530729838 /nfs/dbraw/zinc/72/98/38/530729838.db2.gz IFUDEUCSOSHMGQ-RDDDGLTNSA-N -1 3 385.320 0.301 20 5 GCBDHM C[C@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000591784446 530730297 /nfs/dbraw/zinc/73/02/97/530730297.db2.gz IFUDEUCSOSHMGQ-CPCISQLKSA-N -1 3 385.320 0.301 20 5 GCBDHM COCCNC(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269491076 530754088 /nfs/dbraw/zinc/75/40/88/530754088.db2.gz SSHZWKIXDARXSP-UHFFFAOYSA-N -1 3 385.320 0.655 20 5 GCBDHM COCCNC(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269489803 530754352 /nfs/dbraw/zinc/75/43/52/530754352.db2.gz RZLYTHQZGIHEQO-UHFFFAOYSA-N -1 3 396.219 0.398 20 5 GCBDHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000486007968 530758868 /nfs/dbraw/zinc/75/88/68/530758868.db2.gz UBZVMMGGOLLQFN-YUMQZZPRSA-N -1 3 393.443 0.928 20 5 GCBDHM CC[C@@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000295505414 530760429 /nfs/dbraw/zinc/76/04/29/530760429.db2.gz BYXHEUWGNPOMBX-NSHDSACASA-N -1 3 379.460 0.818 20 5 GCBDHM COCCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000485919935 530745295 /nfs/dbraw/zinc/74/52/95/530745295.db2.gz IFBKXRYKIWIOTR-STQMWFEESA-N -1 3 378.378 0.833 20 5 GCBDHM CCS(=O)(=O)N(C)CCC[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000298413003 530771797 /nfs/dbraw/zinc/77/17/97/530771797.db2.gz NRFLWWPMPJUDNF-UHFFFAOYSA-N -1 3 395.459 0.553 20 5 GCBDHM CC[C@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000295664633 530777956 /nfs/dbraw/zinc/77/79/56/530777956.db2.gz GOOKWAIGDJRSNL-SECBINFHSA-N -1 3 381.432 0.210 20 5 GCBDHM NS(=O)(=O)c1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000066000183 530789613 /nfs/dbraw/zinc/78/96/13/530789613.db2.gz KDCORASBVOVGKY-UHFFFAOYSA-N -1 3 377.425 0.782 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)NCC[N-]S(=O)(=O)c2ccco2)cc1 ZINC000445738987 530823670 /nfs/dbraw/zinc/82/36/70/530823670.db2.gz ITJXUYVLYQSHRX-UHFFFAOYSA-N -1 3 375.384 0.445 20 5 GCBDHM CCS(=O)(=O)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000416618778 530848033 /nfs/dbraw/zinc/84/80/33/530848033.db2.gz GBHVWMLLQRWMOB-UHFFFAOYSA-N -1 3 394.427 0.485 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@]2(C)CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000275137877 530874490 /nfs/dbraw/zinc/87/44/90/530874490.db2.gz JNHVFAMWNAEIRR-LBPRGKRZSA-N -1 3 382.391 0.598 20 5 GCBDHM CCN(CCC[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000298887443 530852805 /nfs/dbraw/zinc/85/28/05/530852805.db2.gz SVBBWHWPIUBFHS-UHFFFAOYSA-N -1 3 395.459 0.553 20 5 GCBDHM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@H]1CNCCO1 ZINC000420485277 530870472 /nfs/dbraw/zinc/87/04/72/530870472.db2.gz ZMQWOVBMNUFRLR-SECBINFHSA-N -1 3 380.220 0.624 20 5 GCBDHM CC[C@H](CS(=O)(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])OC ZINC000420677171 530872143 /nfs/dbraw/zinc/87/21/43/530872143.db2.gz MGBFWVWQGIJNGJ-LLVKDONJSA-N -1 3 395.459 0.218 20 5 GCBDHM CC[C@@H](CS(=O)(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])OC ZINC000420677173 530872623 /nfs/dbraw/zinc/87/26/23/530872623.db2.gz MGBFWVWQGIJNGJ-NSHDSACASA-N -1 3 395.459 0.218 20 5 GCBDHM COC[C@@](C)([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(=O)OC ZINC000275028638 530906077 /nfs/dbraw/zinc/90/60/77/530906077.db2.gz BXEGVFBQRRZXCS-CYBMUJFWSA-N -1 3 380.350 0.599 20 5 GCBDHM CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275261097 530907843 /nfs/dbraw/zinc/90/78/43/530907843.db2.gz OZPPMFHOSHARMA-UHFFFAOYSA-N -1 3 399.422 0.350 20 5 GCBDHM COCC[C@H](C)S(=O)(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000464410373 530908454 /nfs/dbraw/zinc/90/84/54/530908454.db2.gz JBGXVDWLLLKVTN-NSHDSACASA-N -1 3 395.459 0.218 20 5 GCBDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H](C)O ZINC000275849883 530909323 /nfs/dbraw/zinc/90/93/23/530909323.db2.gz XCEJVOUVIITXLY-WKEGUHRASA-N -1 3 386.304 0.814 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@](C)(O)CSC ZINC000276238528 530910346 /nfs/dbraw/zinc/91/03/46/530910346.db2.gz PYJGLONZHHFPPG-ZDUSSCGKSA-N -1 3 378.428 0.774 20 5 GCBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@H]1CCCS(=O)(=O)C1 ZINC000594753332 530878924 /nfs/dbraw/zinc/87/89/24/530878924.db2.gz IQTJDEQAJICHPT-JTQLQIEISA-N -1 3 385.423 0.999 20 5 GCBDHM CCS(=O)(=O)NCC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594749598 530879040 /nfs/dbraw/zinc/87/90/40/530879040.db2.gz VJLPEIIMYJOIQI-UHFFFAOYSA-N -1 3 388.427 0.361 20 5 GCBDHM CO[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000594820508 530885811 /nfs/dbraw/zinc/88/58/11/530885811.db2.gz AXDWEMGLZNCGOB-PWSUYJOCSA-N -1 3 378.428 0.302 20 5 GCBDHM CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594827109 530886072 /nfs/dbraw/zinc/88/60/72/530886072.db2.gz RXOBGCKEEPMQDY-VHSXEESVSA-N -1 3 384.819 0.339 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)[C@@H](CO)SC ZINC000276399251 530910940 /nfs/dbraw/zinc/91/09/40/530910940.db2.gz SKPGWYJJRZRTOC-LDYMZIIASA-N -1 3 378.428 0.772 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](C)S(C)(=O)=O ZINC000527290837 530890205 /nfs/dbraw/zinc/89/02/05/530890205.db2.gz NJRKEJJZNYHQFN-MRVPVSSYSA-N -1 3 380.400 0.093 20 5 GCBDHM CSC[C@@H](CCO)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000443242667 530893669 /nfs/dbraw/zinc/89/36/69/530893669.db2.gz NACFODDDCLQRIO-SECBINFHSA-N -1 3 378.428 0.758 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000491661858 530930712 /nfs/dbraw/zinc/93/07/12/530930712.db2.gz JRGSRRPQBXTZBA-MRVPVSSYSA-N -1 3 382.391 0.598 20 5 GCBDHM COC(=O)[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000271793904 530931816 /nfs/dbraw/zinc/93/18/16/530931816.db2.gz VJNBRLFMDQKMCU-QMMMGPOBSA-N -1 3 383.176 0.170 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000467046894 530914066 /nfs/dbraw/zinc/91/40/66/530914066.db2.gz PFGUBNFSKPCQEU-VHSXEESVSA-N -1 3 397.500 0.961 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCCS1(=O)=O ZINC000469146388 530918459 /nfs/dbraw/zinc/91/84/59/530918459.db2.gz WVVMXSPVUZHDSZ-JTQLQIEISA-N -1 3 392.411 0.237 20 5 GCBDHM C[C@@H](C[S@@](C)=O)N(C)C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280902194 530920212 /nfs/dbraw/zinc/92/02/12/530920212.db2.gz DXJBLOHRWIDTRY-SDWAUSNYSA-N -1 3 377.444 0.099 20 5 GCBDHM NS(=O)(=O)c1ccc(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000391955581 530920796 /nfs/dbraw/zinc/92/07/96/530920796.db2.gz FQMBJZKLURIVOF-UHFFFAOYSA-N -1 3 391.452 0.923 20 5 GCBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1CSCCS1 ZINC000281350446 530921867 /nfs/dbraw/zinc/92/18/67/530921867.db2.gz VIGCRIPWJHXFMA-JTQLQIEISA-N -1 3 391.496 0.838 20 5 GCBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000332642588 530922124 /nfs/dbraw/zinc/92/21/24/530922124.db2.gz GNZXCWRILBOTAH-NSHDSACASA-N -1 3 397.185 0.662 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)C(=O)NCCF ZINC000282307289 530923627 /nfs/dbraw/zinc/92/36/27/530923627.db2.gz MOXPFSDZQASNIS-MRVPVSSYSA-N -1 3 377.350 0.134 20 5 GCBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCS(=O)(=O)NC(C)C ZINC000299355643 530927701 /nfs/dbraw/zinc/92/77/01/530927701.db2.gz DVCYDKHETIWKEB-UHFFFAOYSA-N -1 3 381.432 0.210 20 5 GCBDHM COc1ccc(S(=O)(=O)[N-]CCCN(C)S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000603632051 530935308 /nfs/dbraw/zinc/93/53/08/530935308.db2.gz MAOQWBPOGOOJKA-UHFFFAOYSA-N -1 3 381.432 0.163 20 5 GCBDHM COCC(=O)N1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000603958001 530936793 /nfs/dbraw/zinc/93/67/93/530936793.db2.gz WASATKVCBUIBDI-UHFFFAOYSA-N -1 3 375.378 0.650 20 5 GCBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(S(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000269846242 530948438 /nfs/dbraw/zinc/94/84/38/530948438.db2.gz DOVNAAOHOLBGKB-JTQLQIEISA-N -1 3 393.443 0.163 20 5 GCBDHM NC(=O)[C@]1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000576003415 530950484 /nfs/dbraw/zinc/95/04/84/530950484.db2.gz WTWTXSPSTGNMTE-NSHDSACASA-N -1 3 383.304 0.536 20 5 GCBDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)OC ZINC000272435579 530995163 /nfs/dbraw/zinc/99/51/63/530995163.db2.gz HLLKPNLHSNQSLW-QMMMGPOBSA-N -1 3 394.789 0.940 20 5 GCBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@H]2CC[C@H](C(N)=O)O2)c1 ZINC000272455534 530995813 /nfs/dbraw/zinc/99/58/13/530995813.db2.gz KQFJGNVHRQDSTM-WCBMZHEXSA-N -1 3 377.806 0.868 20 5 GCBDHM COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000487136872 530996576 /nfs/dbraw/zinc/99/65/76/530996576.db2.gz KYJNLPFWWWJBMA-AWEZNQCLSA-N -1 3 376.387 0.850 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@]2(O)CCOC2)c(Br)c1 ZINC000270012011 530988266 /nfs/dbraw/zinc/98/82/66/530988266.db2.gz USJHEUBCRLIBML-NSHDSACASA-N -1 3 381.204 0.787 20 5 GCBDHM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416453482 531031166 /nfs/dbraw/zinc/03/11/66/531031166.db2.gz QUVIKFXJTFUSGH-QMMMGPOBSA-N -1 3 386.304 0.816 20 5 GCBDHM CC[C@](COC)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)OC ZINC000416514274 531038771 /nfs/dbraw/zinc/03/87/71/531038771.db2.gz GAQOKNLZQLYLMU-CQSZACIVSA-N -1 3 376.387 0.850 20 5 GCBDHM CS[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000270355052 531086582 /nfs/dbraw/zinc/08/65/82/531086582.db2.gz DLSUGBIVJJPBBH-PELKAZGASA-N -1 3 378.428 0.757 20 5 GCBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737497752 599118490 /nfs/dbraw/zinc/11/84/90/599118490.db2.gz FGUYVTNJFVYEJO-CYBMUJFWSA-N -1 3 383.324 0.862 20 5 GCBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737497752 599118493 /nfs/dbraw/zinc/11/84/93/599118493.db2.gz FGUYVTNJFVYEJO-CYBMUJFWSA-N -1 3 383.324 0.862 20 5 GCBDHM CN(CC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccccc1[N+](=O)[O-] ZINC000821592534 599141888 /nfs/dbraw/zinc/14/18/88/599141888.db2.gz JZSAYSRAIURIPI-UHFFFAOYSA-N -1 3 397.399 0.834 20 5 GCBDHM CN(CC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccccc1[N+](=O)[O-] ZINC000821592534 599141890 /nfs/dbraw/zinc/14/18/90/599141890.db2.gz JZSAYSRAIURIPI-UHFFFAOYSA-N -1 3 397.399 0.834 20 5 GCBDHM CCOC(=O)CCCS(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736592403 599176736 /nfs/dbraw/zinc/17/67/36/599176736.db2.gz PRMMKZANHPTBDB-UHFFFAOYSA-N -1 3 385.358 0.827 20 5 GCBDHM CCOC(=O)CCCS(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736592403 599176739 /nfs/dbraw/zinc/17/67/39/599176739.db2.gz PRMMKZANHPTBDB-UHFFFAOYSA-N -1 3 385.358 0.827 20 5 GCBDHM CNC(=O)CN1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736874443 599259130 /nfs/dbraw/zinc/25/91/30/599259130.db2.gz QVWOFHXPOYYGOZ-UHFFFAOYSA-N -1 3 397.399 0.191 20 5 GCBDHM CNC(=O)CN1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736874443 599259132 /nfs/dbraw/zinc/25/91/32/599259132.db2.gz QVWOFHXPOYYGOZ-UHFFFAOYSA-N -1 3 397.399 0.191 20 5 GCBDHM O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823139940 607297458 /nfs/dbraw/zinc/29/74/58/607297458.db2.gz OAHMSBBVJIYCQE-LSDHHAIUSA-N -1 3 384.352 0.599 20 5 GCBDHM O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823139940 607297459 /nfs/dbraw/zinc/29/74/59/607297459.db2.gz OAHMSBBVJIYCQE-LSDHHAIUSA-N -1 3 384.352 0.599 20 5 GCBDHM CS(=O)(=O)NCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737168189 599267221 /nfs/dbraw/zinc/26/72/21/599267221.db2.gz FVIMGUDFKHSQAL-UHFFFAOYSA-N -1 3 378.374 0.284 20 5 GCBDHM CS(=O)(=O)NCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737168189 599267223 /nfs/dbraw/zinc/26/72/23/599267223.db2.gz FVIMGUDFKHSQAL-UHFFFAOYSA-N -1 3 378.374 0.284 20 5 GCBDHM CCOC(=O)CN1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000736596615 598246403 /nfs/dbraw/zinc/24/64/03/598246403.db2.gz SCQARHJYDPMINI-UHFFFAOYSA-N -1 3 375.389 0.850 20 5 GCBDHM CCOC(=O)CN1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000736596615 598246405 /nfs/dbraw/zinc/24/64/05/598246405.db2.gz SCQARHJYDPMINI-UHFFFAOYSA-N -1 3 375.389 0.850 20 5 GCBDHM NC(=O)c1cccnc1N1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000822889832 607346829 /nfs/dbraw/zinc/34/68/29/607346829.db2.gz GDRFXTNSYHWUMG-UHFFFAOYSA-N -1 3 395.383 0.595 20 5 GCBDHM CCOc1ccnc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)n1 ZINC000736654620 598501747 /nfs/dbraw/zinc/50/17/47/598501747.db2.gz HVKOWUNTSCSOFL-UHFFFAOYSA-N -1 3 398.387 0.685 20 5 GCBDHM CCOc1ccnc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)n1 ZINC000736654620 598501750 /nfs/dbraw/zinc/50/17/50/598501750.db2.gz HVKOWUNTSCSOFL-UHFFFAOYSA-N -1 3 398.387 0.685 20 5 GCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCN(c2ccc3nncn3n2)CC1 ZINC000738359489 598545541 /nfs/dbraw/zinc/54/55/41/598545541.db2.gz RYLZKHHFRLIPOK-UHFFFAOYSA-N -1 3 393.371 0.539 20 5 GCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCN(c2ccc3nncn3n2)CC1 ZINC000738359489 598545542 /nfs/dbraw/zinc/54/55/42/598545542.db2.gz RYLZKHHFRLIPOK-UHFFFAOYSA-N -1 3 393.371 0.539 20 5 GCBDHM CCS(=O)(=O)N(C)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736659709 598556305 /nfs/dbraw/zinc/55/63/05/598556305.db2.gz VDTCAHMSFCSXCT-UHFFFAOYSA-N -1 3 396.433 0.420 20 5 GCBDHM CCS(=O)(=O)N(C)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736659709 598556307 /nfs/dbraw/zinc/55/63/07/598556307.db2.gz VDTCAHMSFCSXCT-UHFFFAOYSA-N -1 3 396.433 0.420 20 5 GCBDHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000737772418 598606453 /nfs/dbraw/zinc/60/64/53/598606453.db2.gz YYRPVRKEYSRURJ-UHFFFAOYSA-N -1 3 388.300 0.139 20 5 GCBDHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000737772418 598606454 /nfs/dbraw/zinc/60/64/54/598606454.db2.gz YYRPVRKEYSRURJ-UHFFFAOYSA-N -1 3 388.300 0.139 20 5 GCBDHM NC(=O)c1ccccc1N1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737760187 598747995 /nfs/dbraw/zinc/74/79/95/598747995.db2.gz IDXNSBNNBHLRKQ-JTQLQIEISA-N -1 3 395.383 0.960 20 5 GCBDHM NC(=O)c1ccccc1N1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737760187 598747996 /nfs/dbraw/zinc/74/79/96/598747996.db2.gz IDXNSBNNBHLRKQ-JTQLQIEISA-N -1 3 395.383 0.960 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826424434 607371247 /nfs/dbraw/zinc/37/12/47/607371247.db2.gz MDSICTSKRRPLOJ-UHFFFAOYSA-N -1 3 384.308 0.363 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826424434 607371249 /nfs/dbraw/zinc/37/12/49/607371249.db2.gz MDSICTSKRRPLOJ-UHFFFAOYSA-N -1 3 384.308 0.363 20 5 GCBDHM CN(C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1)c1cccnn1 ZINC000821597589 607382584 /nfs/dbraw/zinc/38/25/84/607382584.db2.gz ALDOEEOROMFHHM-ZDUSSCGKSA-N -1 3 397.399 0.907 20 5 GCBDHM CN(C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1)c1cccnn1 ZINC000821597589 607382586 /nfs/dbraw/zinc/38/25/86/607382586.db2.gz ALDOEEOROMFHHM-ZDUSSCGKSA-N -1 3 397.399 0.907 20 5 GCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000823122399 599657755 /nfs/dbraw/zinc/65/77/55/599657755.db2.gz AEHVFSYVKCBLCG-UHFFFAOYSA-N -1 3 397.311 0.765 20 5 GCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823122399 599657756 /nfs/dbraw/zinc/65/77/56/599657756.db2.gz AEHVFSYVKCBLCG-UHFFFAOYSA-N -1 3 397.311 0.765 20 5 GCBDHM C[C@@H](NC(=O)c1ccc(N2CCO[C@H](CN(C)C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736658041 599968646 /nfs/dbraw/zinc/96/86/46/599968646.db2.gz YKSWGSGDDIMGHZ-DGCLKSJQSA-N -1 3 380.401 0.565 20 5 GCBDHM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826424200 607427546 /nfs/dbraw/zinc/42/75/46/607427546.db2.gz AMALYHFUNPFRGJ-UHFFFAOYSA-N -1 3 381.352 0.742 20 5 GCBDHM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826424200 607427547 /nfs/dbraw/zinc/42/75/47/607427547.db2.gz AMALYHFUNPFRGJ-UHFFFAOYSA-N -1 3 381.352 0.742 20 5 GCBDHM NC(=O)NC(=O)C1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000822873747 607466623 /nfs/dbraw/zinc/46/66/23/607466623.db2.gz HTHRWNUGHBXFMB-UHFFFAOYSA-N -1 3 375.349 0.336 20 5 GCBDHM NC(=O)NC(=O)C1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000822873747 607466624 /nfs/dbraw/zinc/46/66/24/607466624.db2.gz HTHRWNUGHBXFMB-UHFFFAOYSA-N -1 3 375.349 0.336 20 5 GCBDHM O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2cccnc2)c(-c2nnn[n-]2)c1 ZINC000823639456 607468336 /nfs/dbraw/zinc/46/83/36/607468336.db2.gz AOMSKDUQLQMATB-UHFFFAOYSA-N -1 3 390.385 0.560 20 5 GCBDHM O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2cccnc2)c(-c2nn[n-]n2)c1 ZINC000823639456 607468337 /nfs/dbraw/zinc/46/83/37/607468337.db2.gz AOMSKDUQLQMATB-UHFFFAOYSA-N -1 3 390.385 0.560 20 5 GCBDHM C[C@H]1CCCCN1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000824936602 607588225 /nfs/dbraw/zinc/58/82/25/607588225.db2.gz KCWJKZGAYGCSNF-NSHDSACASA-N -1 3 395.445 0.928 20 5 GCBDHM CCN1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1 ZINC000825451195 607593938 /nfs/dbraw/zinc/59/39/38/607593938.db2.gz HFVSQECZYPAGQG-JTQLQIEISA-N -1 3 381.418 0.538 20 5 GCBDHM CCN1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000825451195 607593940 /nfs/dbraw/zinc/59/39/40/607593940.db2.gz HFVSQECZYPAGQG-JTQLQIEISA-N -1 3 381.418 0.538 20 5 GCBDHM CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826028921 607616526 /nfs/dbraw/zinc/61/65/26/607616526.db2.gz KTMLMGCQVNOFGP-LLVKDONJSA-N -1 3 395.445 0.737 20 5 GCBDHM CC(C)N1C(=O)N[C@]2(CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)C1=O ZINC000824295961 607675049 /nfs/dbraw/zinc/67/50/49/607675049.db2.gz BYZQISUQBYLRPK-HNNXBMFYSA-N -1 3 387.360 0.079 20 5 GCBDHM CC(C)N1C(=O)N[C@]2(CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)C1=O ZINC000824295961 607675050 /nfs/dbraw/zinc/67/50/50/607675050.db2.gz BYZQISUQBYLRPK-HNNXBMFYSA-N -1 3 387.360 0.079 20 5 GCBDHM CN(CC(C)(C)CN1CCOCC1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000825898037 607735132 /nfs/dbraw/zinc/73/51/32/607735132.db2.gz WNXNYIUPOLADDQ-UHFFFAOYSA-N -1 3 376.421 0.965 20 5 GCBDHM CN(CC(C)(C)CN1CCOCC1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825898037 607735133 /nfs/dbraw/zinc/73/51/33/607735133.db2.gz WNXNYIUPOLADDQ-UHFFFAOYSA-N -1 3 376.421 0.965 20 5 GCBDHM COC(=O)[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000833707901 605696476 /nfs/dbraw/zinc/69/64/76/605696476.db2.gz NGDGXCMNVXDOSA-UXIGCNINSA-N -1 3 382.369 0.673 20 5 GCBDHM O=c1ccc([N+](=O)[O-])cn1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823664611 606328458 /nfs/dbraw/zinc/32/84/58/606328458.db2.gz BEGWMMVYFNLUGV-UHFFFAOYSA-N -1 3 376.354 0.411 20 5 GCBDHM O=c1ccc([N+](=O)[O-])cn1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823664611 606328460 /nfs/dbraw/zinc/32/84/60/606328460.db2.gz BEGWMMVYFNLUGV-UHFFFAOYSA-N -1 3 376.354 0.411 20 5 GCBDHM COC(=O)[C@@H](OC(=O)Cn1ccc([N+](=O)[O-])n1)c1cccc(-c2nnn[n-]2)c1 ZINC000821648576 606372147 /nfs/dbraw/zinc/37/21/47/606372147.db2.gz NAWLBUGLFYULMX-ZDUSSCGKSA-N -1 3 387.312 0.429 20 5 GCBDHM COC(=O)[C@@H](OC(=O)Cn1ccc([N+](=O)[O-])n1)c1cccc(-c2nn[n-]n2)c1 ZINC000821648576 606372148 /nfs/dbraw/zinc/37/21/48/606372148.db2.gz NAWLBUGLFYULMX-ZDUSSCGKSA-N -1 3 387.312 0.429 20 5 GCBDHM COC(=O)CN1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821662505 606446700 /nfs/dbraw/zinc/44/67/00/606446700.db2.gz FVOLTSSEUFPLJR-UHFFFAOYSA-N -1 3 398.383 0.618 20 5 GCBDHM COC(=O)CN1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821662505 606446702 /nfs/dbraw/zinc/44/67/02/606446702.db2.gz FVOLTSSEUFPLJR-UHFFFAOYSA-N -1 3 398.383 0.618 20 5 GCBDHM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820767018 606472645 /nfs/dbraw/zinc/47/26/45/606472645.db2.gz FLWFIMINHYECCZ-ONGXEEELSA-N -1 3 381.418 0.857 20 5 GCBDHM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820767018 606472647 /nfs/dbraw/zinc/47/26/47/606472647.db2.gz FLWFIMINHYECCZ-ONGXEEELSA-N -1 3 381.418 0.857 20 5 GCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823122429 606595162 /nfs/dbraw/zinc/59/51/62/606595162.db2.gz AWMKEQKDVQRYMQ-UHFFFAOYSA-N -1 3 397.399 0.757 20 5 GCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823122429 606595163 /nfs/dbraw/zinc/59/51/63/606595163.db2.gz AWMKEQKDVQRYMQ-UHFFFAOYSA-N -1 3 397.399 0.757 20 5 GCBDHM O=C(CN1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000822997628 606645180 /nfs/dbraw/zinc/64/51/80/606645180.db2.gz TVSQNQXANQHSAS-UHFFFAOYSA-N -1 3 386.416 0.519 20 5 GCBDHM O=C(CN1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000822997628 606645181 /nfs/dbraw/zinc/64/51/81/606645181.db2.gz TVSQNQXANQHSAS-UHFFFAOYSA-N -1 3 386.416 0.519 20 5 GCBDHM O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)c1-c1nnn[n-]1 ZINC000823646819 606733507 /nfs/dbraw/zinc/73/35/07/606733507.db2.gz AKOYYPGQJDDRTB-NSHDSACASA-N -1 3 393.429 0.634 20 5 GCBDHM CN([C@@H]1CCCN(C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000821623108 606734629 /nfs/dbraw/zinc/73/46/29/606734629.db2.gz CVJCDDTYNNVEDQ-SNVBAGLBSA-N -1 3 381.418 0.490 20 5 GCBDHM CN([C@@H]1CCCN(C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821623108 606734631 /nfs/dbraw/zinc/73/46/31/606734631.db2.gz CVJCDDTYNNVEDQ-SNVBAGLBSA-N -1 3 381.418 0.490 20 5 GCBDHM CN([C@H]1CCCN(C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000821623107 606735211 /nfs/dbraw/zinc/73/52/11/606735211.db2.gz CVJCDDTYNNVEDQ-JTQLQIEISA-N -1 3 381.418 0.490 20 5 GCBDHM CN([C@H]1CCCN(C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821623107 606735212 /nfs/dbraw/zinc/73/52/12/606735212.db2.gz CVJCDDTYNNVEDQ-JTQLQIEISA-N -1 3 381.418 0.490 20 5 GCBDHM Cc1cc(=O)n(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822160604 606777210 /nfs/dbraw/zinc/77/72/10/606777210.db2.gz ITICJYKNJNBSCR-UHFFFAOYSA-N -1 3 390.381 0.719 20 5 GCBDHM Cc1cc(=O)n(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822160604 606777212 /nfs/dbraw/zinc/77/72/12/606777212.db2.gz ITICJYKNJNBSCR-UHFFFAOYSA-N -1 3 390.381 0.719 20 5 GCBDHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821932407 606807907 /nfs/dbraw/zinc/80/79/07/606807907.db2.gz LVPWLBRRJAGTHX-GZMMTYOYSA-N -1 3 382.406 0.300 20 5 GCBDHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821932407 606807908 /nfs/dbraw/zinc/80/79/08/606807908.db2.gz LVPWLBRRJAGTHX-GZMMTYOYSA-N -1 3 382.406 0.300 20 5 GCBDHM Cn1c(Cl)ncc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822605091 607229057 /nfs/dbraw/zinc/22/90/57/607229057.db2.gz YGCMOPQFVRZOET-UHFFFAOYSA-N -1 3 385.749 0.930 20 5 GCBDHM Cn1c(Cl)ncc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822605091 607229058 /nfs/dbraw/zinc/22/90/58/607229058.db2.gz YGCMOPQFVRZOET-UHFFFAOYSA-N -1 3 385.749 0.930 20 5 GCBDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000822224092 607230714 /nfs/dbraw/zinc/23/07/14/607230714.db2.gz WCOOKIZVQWHMFG-UHFFFAOYSA-N -1 3 378.374 0.258 20 5 GCBDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000822224092 607230715 /nfs/dbraw/zinc/23/07/15/607230715.db2.gz WCOOKIZVQWHMFG-UHFFFAOYSA-N -1 3 378.374 0.258 20 5 GCBDHM O=c1ccc([N+](=O)[O-])cn1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826501702 607816523 /nfs/dbraw/zinc/81/65/23/607816523.db2.gz CYTYAUHUQZUQCO-UHFFFAOYSA-N -1 3 376.354 0.411 20 5 GCBDHM O=c1ccc([N+](=O)[O-])cn1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826501702 607816524 /nfs/dbraw/zinc/81/65/24/607816524.db2.gz CYTYAUHUQZUQCO-UHFFFAOYSA-N -1 3 376.354 0.411 20 5 GCBDHM CCn1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)c([N+](=O)[O-])n1 ZINC000825805138 607851605 /nfs/dbraw/zinc/85/16/05/607851605.db2.gz UIJPTFUQJPBVAQ-UHFFFAOYSA-N -1 3 383.321 0.898 20 5 GCBDHM CCn1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)c([N+](=O)[O-])n1 ZINC000825805138 607851606 /nfs/dbraw/zinc/85/16/06/607851606.db2.gz UIJPTFUQJPBVAQ-UHFFFAOYSA-N -1 3 383.321 0.898 20 5 GCBDHM O=[N+]([O-])c1cnn(C[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000826500838 607868754 /nfs/dbraw/zinc/86/87/54/607868754.db2.gz OCCFBSWJNUGDCZ-SNVBAGLBSA-N -1 3 376.289 0.320 20 5 GCBDHM O=[N+]([O-])c1cnn(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000826500838 607868755 /nfs/dbraw/zinc/86/87/55/607868755.db2.gz OCCFBSWJNUGDCZ-SNVBAGLBSA-N -1 3 376.289 0.320 20 5 GCBDHM Cc1nc(-c2cccc(-c3nnn[n-]3)c2)nn1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000826322350 607869142 /nfs/dbraw/zinc/86/91/42/607869142.db2.gz JBYYKNDIHCQFJU-AWEZNQCLSA-N -1 3 396.371 0.599 20 5 GCBDHM Cc1nc(-c2cccc(-c3nn[n-]n3)c2)nn1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000826322350 607869143 /nfs/dbraw/zinc/86/91/43/607869143.db2.gz JBYYKNDIHCQFJU-AWEZNQCLSA-N -1 3 396.371 0.599 20 5 GCBDHM CCOc1cc(-c2nnn[n-]2)ccc1OC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000825609365 607871870 /nfs/dbraw/zinc/87/18/70/607871870.db2.gz LJYVPKNYXNAMTI-GFCCVEGCSA-N -1 3 375.345 0.810 20 5 GCBDHM CCOc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000825609365 607871871 /nfs/dbraw/zinc/87/18/71/607871871.db2.gz LJYVPKNYXNAMTI-GFCCVEGCSA-N -1 3 375.345 0.810 20 5 GCBDHM O=[N+]([O-])c1ccc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c(-n2cnnn2)c1 ZINC000826498628 607877656 /nfs/dbraw/zinc/87/76/56/607877656.db2.gz DADFLBMKMTVHHO-CQSZACIVSA-N -1 3 395.339 0.863 20 5 GCBDHM O=[N+]([O-])c1ccc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c(-n2cnnn2)c1 ZINC000826498628 607877657 /nfs/dbraw/zinc/87/76/57/607877657.db2.gz DADFLBMKMTVHHO-CQSZACIVSA-N -1 3 395.339 0.863 20 5 GCBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000826161955 608137549 /nfs/dbraw/zinc/13/75/49/608137549.db2.gz HBJNZKRAUCJTGD-UHFFFAOYSA-N -1 3 388.344 0.786 20 5 GCBDHM Cn1cc(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cn1 ZINC000826358581 608161759 /nfs/dbraw/zinc/16/17/59/608161759.db2.gz ZIWFBFZOHHGMHF-UHFFFAOYSA-N -1 3 376.720 0.983 20 5 GCBDHM Cn1cc(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cn1 ZINC000826358581 608161760 /nfs/dbraw/zinc/16/17/60/608161760.db2.gz ZIWFBFZOHHGMHF-UHFFFAOYSA-N -1 3 376.720 0.983 20 5 GCBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826423131 608163839 /nfs/dbraw/zinc/16/38/39/608163839.db2.gz ZOAFXBOQYYXPCJ-WBVHZDCISA-N -1 3 398.379 0.528 20 5 GCBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826423131 608163840 /nfs/dbraw/zinc/16/38/40/608163840.db2.gz ZOAFXBOQYYXPCJ-WBVHZDCISA-N -1 3 398.379 0.528 20 5 GCBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826421854 608163857 /nfs/dbraw/zinc/16/38/57/608163857.db2.gz CAIWRPMQZKOWCE-WBVHZDCISA-N -1 3 398.379 0.528 20 5 GCBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826421854 608163859 /nfs/dbraw/zinc/16/38/59/608163859.db2.gz CAIWRPMQZKOWCE-WBVHZDCISA-N -1 3 398.379 0.528 20 5 GCBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826423130 608164169 /nfs/dbraw/zinc/16/41/69/608164169.db2.gz ZOAFXBOQYYXPCJ-RDJZCZTQSA-N -1 3 398.379 0.528 20 5 GCBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826423130 608164170 /nfs/dbraw/zinc/16/41/70/608164170.db2.gz ZOAFXBOQYYXPCJ-RDJZCZTQSA-N -1 3 398.379 0.528 20 5 GCBDHM Cn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000826362772 608280642 /nfs/dbraw/zinc/28/06/42/608280642.db2.gz IBPGHBHELRQPSC-ZDUSSCGKSA-N -1 3 384.356 0.722 20 5 GCBDHM Cn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000826362772 608280644 /nfs/dbraw/zinc/28/06/44/608280644.db2.gz IBPGHBHELRQPSC-ZDUSSCGKSA-N -1 3 384.356 0.722 20 5 GCBDHM O=C(c1ccc(=O)[nH]c1)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000826472859 608375023 /nfs/dbraw/zinc/37/50/23/608375023.db2.gz ZATLFXARXLHRNL-UHFFFAOYSA-N -1 3 396.367 0.838 20 5 GCBDHM O=C(c1ccc(=O)[nH]c1)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000826472859 608375025 /nfs/dbraw/zinc/37/50/25/608375025.db2.gz ZATLFXARXLHRNL-UHFFFAOYSA-N -1 3 396.367 0.838 20 5 GCBDHM O=[N+]([O-])c1cccc(S(=O)(=O)NCCCCn2ccnc2)c1-c1nn[n-]n1 ZINC000826500106 608566209 /nfs/dbraw/zinc/56/62/09/608566209.db2.gz LENHGTFEHZMJBR-UHFFFAOYSA-N -1 3 392.401 0.730 20 5 GCBDHM CCc1nn(C)c(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1[N+](=O)[O-] ZINC000825759705 608666384 /nfs/dbraw/zinc/66/63/84/608666384.db2.gz OHRNBFGTNVJOIK-UHFFFAOYSA-N -1 3 384.404 0.792 20 5 GCBDHM CCc1nn(C)c(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1[N+](=O)[O-] ZINC000825759705 608666386 /nfs/dbraw/zinc/66/63/86/608666386.db2.gz OHRNBFGTNVJOIK-UHFFFAOYSA-N -1 3 384.404 0.792 20 5 GCBDHM COC(=O)C1(O)CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000826128305 608798740 /nfs/dbraw/zinc/79/87/40/608798740.db2.gz BUSUZCRCIKJBDR-UHFFFAOYSA-N -1 3 399.367 0.827 20 5 GCBDHM COC(=O)C1(O)CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000826128305 608798744 /nfs/dbraw/zinc/79/87/44/608798744.db2.gz BUSUZCRCIKJBDR-UHFFFAOYSA-N -1 3 399.367 0.827 20 5 GCBDHM C[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)S(N)(=O)=O ZINC000824427119 609164138 /nfs/dbraw/zinc/16/41/38/609164138.db2.gz LTMMWSQEIBSQCC-SSDOTTSWSA-N -1 3 378.374 0.412 20 5 GCBDHM C[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)S(N)(=O)=O ZINC000824427119 609164139 /nfs/dbraw/zinc/16/41/39/609164139.db2.gz LTMMWSQEIBSQCC-SSDOTTSWSA-N -1 3 378.374 0.412 20 5 GCBDHM Nc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826396182 609349987 /nfs/dbraw/zinc/34/99/87/609349987.db2.gz LGWGEMGSKOTSSF-UHFFFAOYSA-N -1 3 397.351 0.830 20 5 GCBDHM Nc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826396182 609349988 /nfs/dbraw/zinc/34/99/88/609349988.db2.gz LGWGEMGSKOTSSF-UHFFFAOYSA-N -1 3 397.351 0.830 20 5 GCBDHM O=C(Nc1ccncc1-c1nnn[n-]1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826459204 609384109 /nfs/dbraw/zinc/38/41/09/609384109.db2.gz ZJDZISGQSOPDOV-AWEZNQCLSA-N -1 3 380.324 0.724 20 5 GCBDHM O=C(Nc1ccncc1-c1nn[n-]n1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826459204 609384111 /nfs/dbraw/zinc/38/41/11/609384111.db2.gz ZJDZISGQSOPDOV-AWEZNQCLSA-N -1 3 380.324 0.724 20 5 GCBDHM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826464485 609633177 /nfs/dbraw/zinc/63/31/77/609633177.db2.gz YCZHASJJRQKUQD-CQSZACIVSA-N -1 3 386.324 0.213 20 5 GCBDHM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826464485 609633179 /nfs/dbraw/zinc/63/31/79/609633179.db2.gz YCZHASJJRQKUQD-CQSZACIVSA-N -1 3 386.324 0.213 20 5 GCBDHM CN1CC[C@@](O)(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000762554363 640609567 /nfs/dbraw/zinc/60/95/67/640609567.db2.gz 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COCCNC(=O)C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000416573936 530847193 /nfs/dbraw/zinc/84/71/93/530847193.db2.gz WONWVXLQPHOVCA-UHFFFAOYSA-N -1 3 377.806 0.822 20 5 GCBDHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cnccn1 ZINC000522615140 530853721 /nfs/dbraw/zinc/85/37/21/530853721.db2.gz FHNZWNMGLYNKTF-UHFFFAOYSA-N -1 3 385.789 0.747 20 5 GCBDHM CC(=O)N1CC([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000594469645 530865042 /nfs/dbraw/zinc/86/50/42/530865042.db2.gz LHCCLYDMVWUCML-UHFFFAOYSA-N -1 3 378.204 0.866 20 5 GCBDHM C[C@H](C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)S(C)(=O)=O ZINC000533149811 530900220 /nfs/dbraw/zinc/90/02/20/530900220.db2.gz QRHYGIQXJZVJPR-MRVPVSSYSA-N -1 3 380.400 0.077 20 5 GCBDHM COc1c(S(=O)(=O)[N-]CCC(N)=O)cc(Br)c(C)c1[N+](=O)[O-] ZINC000276950677 530911849 /nfs/dbraw/zinc/91/18/49/530911849.db2.gz UEMMDMIURZWEGT-UHFFFAOYSA-N -1 3 396.219 0.828 20 5 GCBDHM CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275348831 530907650 /nfs/dbraw/zinc/90/76/50/530907650.db2.gz GFYINCZWCYBBCA-QMMMGPOBSA-N -1 3 384.407 0.844 20 5 GCBDHM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H](C)O ZINC000275689747 530909357 /nfs/dbraw/zinc/90/93/57/530909357.db2.gz DICYFKGCCJIRSC-QUBYGPBYSA-N -1 3 397.203 0.558 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@]1(C)CCS(=O)(=O)C1 ZINC000276211354 530910156 /nfs/dbraw/zinc/91/01/56/530910156.db2.gz LHMSIGIGIKUBCB-CYBMUJFWSA-N -1 3 392.411 0.237 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]C2CC(NS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000619752016 530883040 /nfs/dbraw/zinc/88/30/40/530883040.db2.gz SETCVTIMXNALLU-UHFFFAOYSA-N -1 3 397.406 0.101 20 5 GCBDHM CS(=O)(=O)NC1CC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000619752098 530883280 /nfs/dbraw/zinc/88/32/80/530883280.db2.gz HJBQLUMUDHNQCM-UHFFFAOYSA-N -1 3 383.835 0.607 20 5 GCBDHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1[nH]ncc1[N+](=O)[O-] ZINC000442968146 530887121 /nfs/dbraw/zinc/88/71/21/530887121.db2.gz RTNKTNGSNOOPTP-UHFFFAOYSA-N -1 3 391.768 0.819 20 5 GCBDHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1n[nH]cc1[N+](=O)[O-] ZINC000442968146 530887123 /nfs/dbraw/zinc/88/71/23/530887123.db2.gz RTNKTNGSNOOPTP-UHFFFAOYSA-N -1 3 391.768 0.819 20 5 GCBDHM O=C(CCOCC(F)F)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000276717128 530911123 /nfs/dbraw/zinc/91/11/23/530911123.db2.gz ZKJYZYTVVLMZLO-UHFFFAOYSA-N -1 3 381.357 0.661 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]C2(C(N)=O)CCOCC2)cc1[N+](=O)[O-] ZINC000373610554 530893671 /nfs/dbraw/zinc/89/36/71/530893671.db2.gz ROQYBOZIQNKWIE-UHFFFAOYSA-N -1 3 377.350 0.055 20 5 GCBDHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CN1CCOCC1 ZINC000443256694 530894350 /nfs/dbraw/zinc/89/43/50/530894350.db2.gz XEZKAIAFERPRSF-AWEZNQCLSA-N -1 3 393.849 0.610 20 5 GCBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)NS(C)(=O)=O ZINC000068940479 530895995 /nfs/dbraw/zinc/89/59/95/530895995.db2.gz CBFUJAHWIPEZNG-UHFFFAOYSA-N -1 3 385.851 0.854 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]CCS(=O)(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000490762970 530929703 /nfs/dbraw/zinc/92/97/03/530929703.db2.gz VBSOFLAKDRKTMO-UHFFFAOYSA-N -1 3 399.422 0.349 20 5 GCBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCCN(S(C)(=O)=O)C2)c1[N+](=O)[O-] ZINC000276888839 530912372 /nfs/dbraw/zinc/91/23/72/530912372.db2.gz UCPFZIUAXAMDHE-LBPRGKRZSA-N -1 3 391.471 0.914 20 5 GCBDHM COCC(=O)N1CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000467411434 530915416 /nfs/dbraw/zinc/91/54/16/530915416.db2.gz NTOGIVYTBKLITI-UHFFFAOYSA-N -1 3 377.444 0.880 20 5 GCBDHM C[S@](=O)C1(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000280788337 530920536 /nfs/dbraw/zinc/92/05/36/530920536.db2.gz QEPCPYIKNUFMNA-DEOSSOPVSA-N -1 3 390.439 0.946 20 5 GCBDHM O=C(C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)NCC(F)F ZINC000280921164 530921172 /nfs/dbraw/zinc/92/11/72/530921172.db2.gz IGVOLAJWWIWOST-UHFFFAOYSA-N -1 3 381.313 0.026 20 5 GCBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CC(C(N)=O)=NO2)cc1[N+](=O)[O-] ZINC000281570552 530922410 /nfs/dbraw/zinc/92/24/10/530922410.db2.gz VMEIULMGIXCFSL-ZETCQYMHSA-N -1 3 376.778 0.465 20 5 GCBDHM CC(C)(C)CS(=O)(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000282156499 530923440 /nfs/dbraw/zinc/92/34/40/530923440.db2.gz KRXBDDMCOTZTTA-UHFFFAOYSA-N -1 3 379.460 0.839 20 5 GCBDHM C[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)NCCF ZINC000282188750 530923448 /nfs/dbraw/zinc/92/34/48/530923448.db2.gz DYHIGXITBYIFJO-QMMMGPOBSA-N -1 3 377.350 0.119 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1([S@@](C)=O)CC1 ZINC000282593615 530923936 /nfs/dbraw/zinc/92/39/36/530923936.db2.gz QGJNQVBIPDJDQV-HSZRJFAPSA-N -1 3 376.412 0.571 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1([S@](C)=O)CC1 ZINC000282593618 530924356 /nfs/dbraw/zinc/92/43/56/530924356.db2.gz QGJNQVBIPDJDQV-QHCPKHFHSA-N -1 3 376.412 0.571 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]CCN2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000444069030 530965851 /nfs/dbraw/zinc/96/58/51/530965851.db2.gz DLJXZWBIMBHHFW-SNVBAGLBSA-N -1 3 377.394 0.742 20 5 GCBDHM NC(=O)COCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269824527 530940915 /nfs/dbraw/zinc/94/09/15/530940915.db2.gz YXQJUVKFJHRKBU-UHFFFAOYSA-N -1 3 382.192 0.138 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CS(=O)(=O)CCO2)c(Cl)c1 ZINC000507936371 530941851 /nfs/dbraw/zinc/94/18/51/530941851.db2.gz MKNCDKNEEZPMTE-VIFPVBQESA-N -1 3 384.819 0.340 20 5 GCBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CS(=O)(=O)CCO2)cc1C ZINC000507890883 530941964 /nfs/dbraw/zinc/94/19/64/530941964.db2.gz RDFYNBHIVZJMAY-LLVKDONJSA-N -1 3 378.428 0.304 20 5 GCBDHM CS(=O)(=O)N1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000269849270 530949393 /nfs/dbraw/zinc/94/93/93/530949393.db2.gz FLEWEZMLLOPBEM-VIFPVBQESA-N -1 3 381.407 0.294 20 5 GCBDHM CNS(=O)(=O)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416475417 531034134 /nfs/dbraw/zinc/03/41/34/531034134.db2.gz ULSGPFNEEKPQDF-UHFFFAOYSA-N -1 3 391.349 0.441 20 5 GCBDHM CCN1CCN(C(=O)C[N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000272797529 531116811 /nfs/dbraw/zinc/11/68/11/531116811.db2.gz DDISDMWFGALKOX-UHFFFAOYSA-N -1 3 376.460 0.636 20 5 GCBDHM COC(=O)[C@@H](OC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896685 598897593 /nfs/dbraw/zinc/89/75/93/598897593.db2.gz BCJFNCVCTLYLNT-ZDUSSCGKSA-N -1 3 387.312 0.429 20 5 GCBDHM COC(=O)[C@@H](OC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896685 598897594 /nfs/dbraw/zinc/89/75/94/598897594.db2.gz BCJFNCVCTLYLNT-ZDUSSCGKSA-N -1 3 387.312 0.429 20 5 GCBDHM COCCNC(=O)Cn1cc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cn1 ZINC000821691074 599039883 /nfs/dbraw/zinc/03/98/83/599039883.db2.gz HPSDOJRSULAXOJ-UHFFFAOYSA-N -1 3 387.360 0.478 20 5 GCBDHM COCCNC(=O)Cn1cc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC000821691074 599039887 /nfs/dbraw/zinc/03/98/87/599039887.db2.gz HPSDOJRSULAXOJ-UHFFFAOYSA-N -1 3 387.360 0.478 20 5 GCBDHM Cc1nn(C)c(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000737510725 599122890 /nfs/dbraw/zinc/12/28/90/599122890.db2.gz UOVXFVQKKUUDSD-GFCCVEGCSA-N -1 3 386.328 0.200 20 5 GCBDHM Cc1nn(C)c(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000737510725 599122892 /nfs/dbraw/zinc/12/28/92/599122892.db2.gz UOVXFVQKKUUDSD-GFCCVEGCSA-N -1 3 386.328 0.200 20 5 GCBDHM NC(=O)[C@@H](OC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000737737487 599123827 /nfs/dbraw/zinc/12/38/27/599123827.db2.gz RSJGZQADYYTAFO-HNNXBMFYSA-N -1 3 397.351 0.957 20 5 GCBDHM NC(=O)[C@@H](OC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000737737487 599123829 /nfs/dbraw/zinc/12/38/29/599123829.db2.gz RSJGZQADYYTAFO-HNNXBMFYSA-N -1 3 397.351 0.957 20 5 GCBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737487799 599219320 /nfs/dbraw/zinc/21/93/20/599219320.db2.gz NIQFMDUVQYRBOZ-UHFFFAOYSA-N -1 3 386.372 0.865 20 5 GCBDHM O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000823140528 607297712 /nfs/dbraw/zinc/29/77/12/607297712.db2.gz VVJLUCQDRVSYII-LSDHHAIUSA-N -1 3 384.352 0.599 20 5 GCBDHM O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000823140528 607297713 /nfs/dbraw/zinc/29/77/13/607297713.db2.gz VVJLUCQDRVSYII-LSDHHAIUSA-N -1 3 384.352 0.599 20 5 GCBDHM O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000823140527 607297757 /nfs/dbraw/zinc/29/77/57/607297757.db2.gz VVJLUCQDRVSYII-HUUCEWRRSA-N -1 3 384.352 0.599 20 5 GCBDHM O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000823140527 607297758 /nfs/dbraw/zinc/29/77/58/607297758.db2.gz VVJLUCQDRVSYII-HUUCEWRRSA-N -1 3 384.352 0.599 20 5 GCBDHM O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1sccc1-c1nnn[n-]1 ZINC000823140141 607297835 /nfs/dbraw/zinc/29/78/35/607297835.db2.gz PHUSCGIFSYUNHO-NWDGAFQWSA-N -1 3 390.381 0.661 20 5 GCBDHM O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1sccc1-c1nn[n-]n1 ZINC000823140141 607297836 /nfs/dbraw/zinc/29/78/36/607297836.db2.gz PHUSCGIFSYUNHO-NWDGAFQWSA-N -1 3 390.381 0.661 20 5 GCBDHM O=[N+]([O-])c1cc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)ccc1-c1nnn[n-]1 ZINC000823635307 607345780 /nfs/dbraw/zinc/34/57/80/607345780.db2.gz VFYIFUMDTALQHJ-GFCCVEGCSA-N -1 3 393.429 0.084 20 5 GCBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccc4nncn4n3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370808 598545459 /nfs/dbraw/zinc/54/54/59/598545459.db2.gz QNXPEJYIPVGOPB-UHFFFAOYSA-N -1 3 393.371 0.539 20 5 GCBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccc4nncn4n3)CC2)c(-c2nn[n-]n2)c1 ZINC000738370808 598545461 /nfs/dbraw/zinc/54/54/61/598545461.db2.gz QNXPEJYIPVGOPB-UHFFFAOYSA-N -1 3 393.371 0.539 20 5 GCBDHM CS(=O)(=O)CCN1CCC(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000737163543 598592497 /nfs/dbraw/zinc/59/24/97/598592497.db2.gz YPLVFFKENNNZCW-UHFFFAOYSA-N -1 3 395.445 0.696 20 5 GCBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(S(N)(=O)=O)c1 ZINC000820461725 599315991 /nfs/dbraw/zinc/31/59/91/599315991.db2.gz QPZHLNHQHBJUSK-MRVPVSSYSA-N -1 3 390.385 0.990 20 5 GCBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccc(S(N)(=O)=O)c1 ZINC000820461725 599315994 /nfs/dbraw/zinc/31/59/94/599315994.db2.gz QPZHLNHQHBJUSK-MRVPVSSYSA-N -1 3 390.385 0.990 20 5 GCBDHM NS(=O)(=O)c1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000822895016 599341388 /nfs/dbraw/zinc/34/13/88/599341388.db2.gz KTQRYGAFQYNDPX-UHFFFAOYSA-N -1 3 376.358 0.429 20 5 GCBDHM NS(=O)(=O)c1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000822895016 599341390 /nfs/dbraw/zinc/34/13/90/599341390.db2.gz KTQRYGAFQYNDPX-UHFFFAOYSA-N -1 3 376.358 0.429 20 5 GCBDHM NC(=O)CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737754507 599349297 /nfs/dbraw/zinc/34/92/97/599349297.db2.gz XIBVYWZSTZKJED-UHFFFAOYSA-N -1 3 383.324 0.782 20 5 GCBDHM NC(=O)CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000737754507 599349301 /nfs/dbraw/zinc/34/93/01/599349301.db2.gz XIBVYWZSTZKJED-UHFFFAOYSA-N -1 3 383.324 0.782 20 5 GCBDHM NC(=O)N1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000822873997 599519767 /nfs/dbraw/zinc/51/97/67/599519767.db2.gz OVIWYGQJHFXSJD-UHFFFAOYSA-N -1 3 383.372 0.914 20 5 GCBDHM NC(=O)N1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000822873997 599519768 /nfs/dbraw/zinc/51/97/68/599519768.db2.gz OVIWYGQJHFXSJD-UHFFFAOYSA-N -1 3 383.372 0.914 20 5 GCBDHM CC(=O)NC[C@@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000819810418 599560775 /nfs/dbraw/zinc/56/07/75/599560775.db2.gz JFKNLRZZXCJNPG-GFCCVEGCSA-N -1 3 398.383 0.664 20 5 GCBDHM CC(=O)NC[C@@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000819810418 599560777 /nfs/dbraw/zinc/56/07/77/599560777.db2.gz JFKNLRZZXCJNPG-GFCCVEGCSA-N -1 3 398.383 0.664 20 5 GCBDHM NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000739161577 599942973 /nfs/dbraw/zinc/94/29/73/599942973.db2.gz WJYQQDSEMJQOAP-HNNXBMFYSA-N -1 3 390.396 0.847 20 5 GCBDHM C[C@H](NC(=O)c1ccc(N2CCO[C@H](CN(C)C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736658042 599968569 /nfs/dbraw/zinc/96/85/69/599968569.db2.gz YKSWGSGDDIMGHZ-WCQYABFASA-N -1 3 380.401 0.565 20 5 GCBDHM O=[N+]([O-])c1cccc(S(=O)(=O)NCCN2CCCCC2)c1-c1nnn[n-]1 ZINC000826500385 607589798 /nfs/dbraw/zinc/58/97/98/607589798.db2.gz WPZBEJYZJROOKH-UHFFFAOYSA-N -1 3 381.418 0.539 20 5 GCBDHM O=[N+]([O-])c1cccc(S(=O)(=O)NCCN2CCCCC2)c1-c1nn[n-]n1 ZINC000826500385 607589799 /nfs/dbraw/zinc/58/97/99/607589799.db2.gz WPZBEJYZJROOKH-UHFFFAOYSA-N -1 3 381.418 0.539 20 5 GCBDHM C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000824999190 607614593 /nfs/dbraw/zinc/61/45/93/607614593.db2.gz DLEXJPUMIQGEIJ-GHMZBOCLSA-N -1 3 393.429 0.632 20 5 GCBDHM COC(=O)[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000833706477 605393584 /nfs/dbraw/zinc/39/35/84/605393584.db2.gz HGWNRJNYDCDGBP-MBNYWOFBSA-N -1 3 382.369 0.673 20 5 GCBDHM O=[N+]([O-])c1ccc2nc(N3CCCS(=O)(=O)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823644059 606222341 /nfs/dbraw/zinc/22/23/41/606222341.db2.gz FBLNPXQTNZQRNR-UHFFFAOYSA-N -1 3 389.397 0.948 20 5 GCBDHM O=[N+]([O-])c1ccc2nc(N3CCCS(=O)(=O)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823644059 606222343 /nfs/dbraw/zinc/22/23/43/606222343.db2.gz FBLNPXQTNZQRNR-UHFFFAOYSA-N -1 3 389.397 0.948 20 5 GCBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000822659499 606383408 /nfs/dbraw/zinc/38/34/08/606383408.db2.gz NGWFYCFEQCJMJP-UHFFFAOYSA-N -1 3 397.351 0.860 20 5 GCBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000822659499 606383411 /nfs/dbraw/zinc/38/34/11/606383411.db2.gz NGWFYCFEQCJMJP-UHFFFAOYSA-N -1 3 397.351 0.860 20 5 GCBDHM CN1C(=O)N[C@@]2(CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1=O ZINC000821620288 606422248 /nfs/dbraw/zinc/42/22/48/606422248.db2.gz DORREBIRMLGIEB-QLJPJBMISA-N -1 3 386.372 0.907 20 5 GCBDHM CN1C(=O)N[C@@]2(CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1=O ZINC000821620288 606422250 /nfs/dbraw/zinc/42/22/50/606422250.db2.gz DORREBIRMLGIEB-QLJPJBMISA-N -1 3 386.372 0.907 20 5 GCBDHM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820768760 606472810 /nfs/dbraw/zinc/47/28/10/606472810.db2.gz PIIZJKYNTTYWGA-KWQFWETISA-N -1 3 382.406 0.252 20 5 GCBDHM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820768760 606472811 /nfs/dbraw/zinc/47/28/11/606472811.db2.gz PIIZJKYNTTYWGA-KWQFWETISA-N -1 3 382.406 0.252 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])cc(Cl)c1=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823118566 606779302 /nfs/dbraw/zinc/77/93/02/606779302.db2.gz FZPYLLLCTCCELA-UHFFFAOYSA-N -1 3 389.759 0.906 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])cc(Cl)c1=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823118566 606779306 /nfs/dbraw/zinc/77/93/06/606779306.db2.gz FZPYLLLCTCCELA-UHFFFAOYSA-N -1 3 389.759 0.906 20 5 GCBDHM O=C(COC(=O)c1ccc([N+](=O)[O-])cn1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823027686 606797271 /nfs/dbraw/zinc/79/72/71/606797271.db2.gz ZWDASUVVONJXLQ-UHFFFAOYSA-N -1 3 383.324 0.643 20 5 GCBDHM O=C(COC(=O)c1ccc([N+](=O)[O-])cn1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823027686 606797273 /nfs/dbraw/zinc/79/72/73/606797273.db2.gz ZWDASUVVONJXLQ-UHFFFAOYSA-N -1 3 383.324 0.643 20 5 GCBDHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821932430 606808205 /nfs/dbraw/zinc/80/82/05/606808205.db2.gz MDUFGMQSXDHJGE-GHMZBOCLSA-N -1 3 381.418 0.905 20 5 GCBDHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821932430 606808206 /nfs/dbraw/zinc/80/82/06/606808206.db2.gz MDUFGMQSXDHJGE-GHMZBOCLSA-N -1 3 381.418 0.905 20 5 GCBDHM NC(=O)[C@H]1CC[C@@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)O1 ZINC000822860635 607118362 /nfs/dbraw/zinc/11/83/62/607118362.db2.gz ZXBJGSJFJWJGKZ-TVQRCGJNSA-N -1 3 384.356 0.768 20 5 GCBDHM NC(=O)[C@H]1CC[C@@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)O1 ZINC000822860635 607118364 /nfs/dbraw/zinc/11/83/64/607118364.db2.gz ZXBJGSJFJWJGKZ-TVQRCGJNSA-N -1 3 384.356 0.768 20 5 GCBDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000821700350 607228658 /nfs/dbraw/zinc/22/86/58/607228658.db2.gz LPNHBOZCXPBBIQ-UHFFFAOYSA-N -1 3 388.344 0.175 20 5 GCBDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000821700350 607228659 /nfs/dbraw/zinc/22/86/59/607228659.db2.gz LPNHBOZCXPBBIQ-UHFFFAOYSA-N -1 3 388.344 0.175 20 5 GCBDHM O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823229105 607228957 /nfs/dbraw/zinc/22/89/57/607228957.db2.gz DIMQCVJVHVOMAN-OAHLLOKOSA-N -1 3 397.399 0.757 20 5 GCBDHM O=[N+]([O-])c1cnn(C[C@H](O)COc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000826500837 607868594 /nfs/dbraw/zinc/86/85/94/607868594.db2.gz OCCFBSWJNUGDCZ-JTQLQIEISA-N -1 3 376.289 0.320 20 5 GCBDHM O=[N+]([O-])c1cnn(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000826500837 607868595 /nfs/dbraw/zinc/86/85/95/607868595.db2.gz OCCFBSWJNUGDCZ-JTQLQIEISA-N -1 3 376.289 0.320 20 5 GCBDHM O=[N+]([O-])c1cnn(C[C@@H](O)COc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC000826500964 607876851 /nfs/dbraw/zinc/87/68/51/607876851.db2.gz SYYOVZOPYIRRME-SECBINFHSA-N -1 3 376.289 0.320 20 5 GCBDHM O=[N+]([O-])c1cnn(C[C@@H](O)COc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC000826500964 607876852 /nfs/dbraw/zinc/87/68/52/607876852.db2.gz SYYOVZOPYIRRME-SECBINFHSA-N -1 3 376.289 0.320 20 5 GCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826424566 608085563 /nfs/dbraw/zinc/08/55/63/608085563.db2.gz RWEIKLWTWCIGCF-CYBMUJFWSA-N -1 3 384.356 0.572 20 5 GCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826424566 608085564 /nfs/dbraw/zinc/08/55/64/608085564.db2.gz RWEIKLWTWCIGCF-CYBMUJFWSA-N -1 3 384.356 0.572 20 5 GCBDHM O=C(CN1CSCC1=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826411931 608163749 /nfs/dbraw/zinc/16/37/49/608163749.db2.gz TXUAREPYGPNORG-UHFFFAOYSA-N -1 3 383.777 0.900 20 5 GCBDHM O=C(CN1CSCC1=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826411931 608163750 /nfs/dbraw/zinc/16/37/50/608163750.db2.gz TXUAREPYGPNORG-UHFFFAOYSA-N -1 3 383.777 0.900 20 5 GCBDHM O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000826425927 608163967 /nfs/dbraw/zinc/16/39/67/608163967.db2.gz ACMCOJGKHJGMHD-WCQYABFASA-N -1 3 390.381 0.661 20 5 GCBDHM O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000826425927 608163969 /nfs/dbraw/zinc/16/39/69/608163969.db2.gz ACMCOJGKHJGMHD-WCQYABFASA-N -1 3 390.381 0.661 20 5 GCBDHM C[C@H](O)C(=O)N1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000824678469 608234731 /nfs/dbraw/zinc/23/47/31/608234731.db2.gz MUJLJVGGPDNNAA-JTQLQIEISA-N -1 3 398.383 0.353 20 5 GCBDHM C[C@H](O)C(=O)N1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000824678469 608234732 /nfs/dbraw/zinc/23/47/32/608234732.db2.gz MUJLJVGGPDNNAA-JTQLQIEISA-N -1 3 398.383 0.353 20 5 GCBDHM CN(CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N)c1ccccc1[N+](=O)[O-] ZINC000825897962 608274567 /nfs/dbraw/zinc/27/45/67/608274567.db2.gz SIBAJKPFSGUHQJ-UHFFFAOYSA-N -1 3 387.360 0.233 20 5 GCBDHM CN(CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N)c1ccccc1[N+](=O)[O-] ZINC000825897962 608274570 /nfs/dbraw/zinc/27/45/70/608274570.db2.gz SIBAJKPFSGUHQJ-UHFFFAOYSA-N -1 3 387.360 0.233 20 5 GCBDHM O=[N+]([O-])c1cnn(CCNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000826500575 608340061 /nfs/dbraw/zinc/34/00/61/608340061.db2.gz CMMPKTDRLFWDKB-UHFFFAOYSA-N -1 3 396.364 0.230 20 5 GCBDHM C[C@@H](OC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824715586 608374745 /nfs/dbraw/zinc/37/47/45/608374745.db2.gz SMYFQXCPQVKVFV-MRVPVSSYSA-N -1 3 386.328 0.692 20 5 GCBDHM C[C@@H](OC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824715586 608374746 /nfs/dbraw/zinc/37/47/46/608374746.db2.gz SMYFQXCPQVKVFV-MRVPVSSYSA-N -1 3 386.328 0.692 20 5 GCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826366432 608384045 /nfs/dbraw/zinc/38/40/45/608384045.db2.gz HWOHVOVMEBZJHD-ZDUSSCGKSA-N -1 3 384.356 0.722 20 5 GCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826366432 608384047 /nfs/dbraw/zinc/38/40/47/608384047.db2.gz HWOHVOVMEBZJHD-ZDUSSCGKSA-N -1 3 384.356 0.722 20 5 GCBDHM COC(=O)CN(CCN1CCOCC1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826138156 608584616 /nfs/dbraw/zinc/58/46/16/608584616.db2.gz HKWOYNFNJCDNNU-UHFFFAOYSA-N -1 3 391.388 0.087 20 5 GCBDHM COC(=O)CN(CCN1CCOCC1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826138156 608584618 /nfs/dbraw/zinc/58/46/18/608584618.db2.gz HKWOYNFNJCDNNU-UHFFFAOYSA-N -1 3 391.388 0.087 20 5 GCBDHM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]N=c1[nH]cccc1[N+](=O)[O-] ZINC000799538057 641607633 /nfs/dbraw/zinc/60/76/33/641607633.db2.gz YICSPEZFCZQUBH-UHFFFAOYSA-N -1 3 387.399 0.203 20 5 GCBDHM CON(C)C(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000817148640 641875188 /nfs/dbraw/zinc/87/51/88/641875188.db2.gz GFKRWTNANLMRGC-UHFFFAOYSA-N -1 3 382.192 0.655 20 5 GCBDHM O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481927633 1192337928 /nfs/dbraw/zinc/33/79/28/1192337928.db2.gz YUSOAAKMCBYGTC-UHFFFAOYSA-N -1 3 398.257 0.644 20 5 GCBDHM CN(C)CCCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000274761174 1184281796 /nfs/dbraw/zinc/28/17/96/1184281796.db2.gz INAYVZZKASDAPI-ZDUSSCGKSA-N -1 3 385.442 0.881 20 5 GCBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000275612614 1184821068 /nfs/dbraw/zinc/82/10/68/1184821068.db2.gz HGTBTIWBDNDRND-SECBINFHSA-N -1 3 396.385 0.719 20 5 GCBDHM COC(=O)CC[C@@H]([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000277145763 1186250090 /nfs/dbraw/zinc/25/00/90/1186250090.db2.gz XXZMZXRWYORMBB-CYBMUJFWSA-N -1 3 388.398 0.552 20 5 GCBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC12COCCN1CCOC2 ZINC001670735562 1186334602 /nfs/dbraw/zinc/33/46/02/1186334602.db2.gz IAHHCTTZZXGIHC-UHFFFAOYSA-N -1 3 391.833 0.628 20 5 GCBDHM COCCN(C)CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1=O ZINC000582802126 1186684740 /nfs/dbraw/zinc/68/47/40/1186684740.db2.gz YPUZGANCFPLZJS-ZDUSSCGKSA-N -1 3 380.401 0.209 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CN3CCN2CC3)c(C(F)(F)F)c1 ZINC000179059241 1187007570 /nfs/dbraw/zinc/00/75/70/1187007570.db2.gz OUAYNWSQAJMPPL-NSHDSACASA-N -1 3 394.375 0.892 20 5 GCBDHM CN(C)C(=O)Cn1cc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)nn1 ZINC000065721209 1187190120 /nfs/dbraw/zinc/19/01/20/1187190120.db2.gz REZSSPIZPZCANE-UHFFFAOYSA-N -1 3 390.356 0.688 20 5 GCBDHM NC(=O)[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000416427491 1189515912 /nfs/dbraw/zinc/51/59/12/1189515912.db2.gz MXYASJYQYXVOHS-WCBMZHEXSA-N -1 3 397.331 0.925 20 5 GCBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H]1CN2CCN1CC2 ZINC000416440707 1189519319 /nfs/dbraw/zinc/51/93/19/1189519319.db2.gz SZNOTVRVEGTNQV-NSHDSACASA-N -1 3 394.375 0.892 20 5 GCBDHM O=C1[N-]C(=O)/C(=C\NNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000016719169 1194616514 /nfs/dbraw/zinc/61/65/14/1194616514.db2.gz VRZNAJUPWBSJQW-ZROIWOOFSA-N -1 3 388.361 0.689 20 5 GCBDHM COCCN(C)CCN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1=O ZINC000436747884 1195033137 /nfs/dbraw/zinc/03/31/37/1195033137.db2.gz PLBQSFMUNHMABV-GFCCVEGCSA-N -1 3 380.401 0.209 20 5 GCBDHM COCCN(C)CCN1C[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1=O ZINC000436794460 1195037682 /nfs/dbraw/zinc/03/76/82/1195037682.db2.gz OCAIMMYOVIDLAK-ZDUSSCGKSA-N -1 3 380.401 0.209 20 5 GCBDHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000427578255 1195757749 /nfs/dbraw/zinc/75/77/49/1195757749.db2.gz FSYKYHDXHNZMLX-UHFFFAOYSA-N -1 3 397.395 0.994 20 5 GCBDHM Cc1n[nH]c(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000442963814 1196013787 /nfs/dbraw/zinc/01/37/87/1196013787.db2.gz JIITZEAUVOGTGB-UHFFFAOYSA-N -1 3 389.340 0.613 20 5 GCBDHM O=C(c1ccccc1[O-])N1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000533095557 1197431845 /nfs/dbraw/zinc/43/18/45/1197431845.db2.gz BKVHQTULRNEZKY-UHFFFAOYSA-N -1 3 392.393 0.842 20 5 GCBDHM CNc1nccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1[N+](=O)[O-] ZINC000581446072 1200738212 /nfs/dbraw/zinc/73/82/12/1200738212.db2.gz BYHBXLFTQKDRRS-UHFFFAOYSA-N -1 3 385.380 1.335 20 5 GCBDHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000770112415 1202085634 /nfs/dbraw/zinc/08/56/34/1202085634.db2.gz PJCHBRBCFCVADK-LBPRGKRZSA-N -1 3 387.414 0.701 20 5 GCBDHM Cn1ncc(C[N-]S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)n1 ZINC000805101270 1205532001 /nfs/dbraw/zinc/53/20/01/1205532001.db2.gz UMAXIQPOUJQKSC-UHFFFAOYSA-N -1 3 382.358 0.158 20 5 GCBDHM 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/nfs/dbraw/zinc/13/99/32/530139932.db2.gz PHNLMZFIJOPCSF-UHFFFAOYSA-N -1 3 386.411 0.247 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@]2(O)CCS(=O)(=O)C2)c(Cl)c1 ZINC000578380265 530148793 /nfs/dbraw/zinc/14/87/93/530148793.db2.gz YOXKJPFUVGRXAZ-LLVKDONJSA-N -1 3 384.819 0.076 20 5 GCBDHM O=C1CCOC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000599442526 530161982 /nfs/dbraw/zinc/16/19/82/530161982.db2.gz UXUGFPGQKJYENW-SNVBAGLBSA-N -1 3 379.188 0.994 20 5 GCBDHM CSCC[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(N)=O ZINC000599402066 530163399 /nfs/dbraw/zinc/16/33/99/530163399.db2.gz HVIJODOYUWHMIQ-QMMMGPOBSA-N -1 3 391.427 0.251 20 5 GCBDHM COC(=O)C[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000599461321 530164307 /nfs/dbraw/zinc/16/43/07/530164307.db2.gz CLPDPCAVISGBNC-SECBINFHSA-N -1 3 397.203 0.560 20 5 GCBDHM O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000599628820 530165193 /nfs/dbraw/zinc/16/51/93/530165193.db2.gz 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ZINC000563250543 530348985 /nfs/dbraw/zinc/34/89/85/530348985.db2.gz XUBSWWSKCHDSNY-NSHDSACASA-N -1 3 379.460 0.981 20 5 GCBDHM COC(=O)CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OC ZINC000480742026 530351791 /nfs/dbraw/zinc/35/17/91/530351791.db2.gz QDWSCVLLXMSGDG-MRVPVSSYSA-N -1 3 380.400 0.738 20 5 GCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCS(=O)(=O)N1CCSCC1 ZINC000264558176 530372188 /nfs/dbraw/zinc/37/21/88/530372188.db2.gz UCSRIUSKNFKUOW-UHFFFAOYSA-N -1 3 395.484 0.252 20 5 GCBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2NS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000465501281 530470855 /nfs/dbraw/zinc/47/08/55/530470855.db2.gz UDKMADWOLHPYJL-VXGBXAGGSA-N -1 3 391.471 0.899 20 5 GCBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCN(S(C)(=O)=O)C2)c1[N+](=O)[O-] ZINC000567477427 530458019 /nfs/dbraw/zinc/45/80/19/530458019.db2.gz QQCJNVCDDMVDLV-NSHDSACASA-N -1 3 377.444 0.524 20 5 GCBDHM O=C(C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])N1CCNCC1 ZINC000571403230 530507426 /nfs/dbraw/zinc/50/74/26/530507426.db2.gz YFOLFDFETPWSFQ-UHFFFAOYSA-N -1 3 397.240 0.612 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCCS(=O)(=O)C1 ZINC000328389405 530520182 /nfs/dbraw/zinc/52/01/82/530520182.db2.gz NJFMRBBECLHPGH-VIFPVBQESA-N -1 3 392.411 0.237 20 5 GCBDHM CCCCN(C)S(=O)(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265273434 530527059 /nfs/dbraw/zinc/52/70/59/530527059.db2.gz GSPURVNGUHANNF-UHFFFAOYSA-N -1 3 394.475 0.439 20 5 GCBDHM O=C(COCC(F)(F)F)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265303716 530527517 /nfs/dbraw/zinc/52/75/17/530527517.db2.gz YRJJSPZSCWTUBW-UHFFFAOYSA-N -1 3 385.320 0.568 20 5 GCBDHM CSC[C@@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265477681 530529658 /nfs/dbraw/zinc/52/96/58/530529658.db2.gz ODVSWXSOUIKVJJ-SNVBAGLBSA-N -1 3 376.460 0.924 20 5 GCBDHM CCS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000438901960 530572844 /nfs/dbraw/zinc/57/28/44/530572844.db2.gz KQGMELATONYFRN-UHFFFAOYSA-N -1 3 381.407 0.294 20 5 GCBDHM CNS(=O)(=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000439095710 530574807 /nfs/dbraw/zinc/57/48/07/530574807.db2.gz XWWDFRBEDWOWAK-UHFFFAOYSA-N -1 3 391.349 0.441 20 5 GCBDHM CC[C@@](COC)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(=O)OC ZINC000591329541 530711455 /nfs/dbraw/zinc/71/14/55/530711455.db2.gz CXJPORHBKUAQJT-AWEZNQCLSA-N -1 3 376.387 0.850 20 5 GCBDHM CCOC(=O)COCC[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000295474131 530755427 /nfs/dbraw/zinc/75/54/27/530755427.db2.gz MCMCZGITPIRJKS-UHFFFAOYSA-N -1 3 380.350 0.601 20 5 GCBDHM CC[C@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000295500894 530759257 /nfs/dbraw/zinc/75/92/57/530759257.db2.gz BNSIRIRWKORUTF-SECBINFHSA-N -1 3 381.432 0.210 20 5 GCBDHM CNC(=O)CN1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000026975725 530773617 /nfs/dbraw/zinc/77/36/17/530773617.db2.gz AFGMBHMBCNPLHF-UHFFFAOYSA-N -1 3 390.849 0.737 20 5 GCBDHM CC[C@@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000295676372 530779016 /nfs/dbraw/zinc/77/90/16/530779016.db2.gz HPBABNDTWDTHMR-NSHDSACASA-N -1 3 379.460 0.818 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@]1(C)CCS(=O)(=O)C1 ZINC000273239816 530803261 /nfs/dbraw/zinc/80/32/61/530803261.db2.gz XFIHKSAWDUQIHM-CYBMUJFWSA-N -1 3 392.411 0.237 20 5 GCBDHM CS(=O)(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000067877994 530792427 /nfs/dbraw/zinc/79/24/27/530792427.db2.gz DRNDVLFRTLFDTC-SECBINFHSA-N -1 3 381.407 0.436 20 5 GCBDHM CS(=O)(=O)NC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCCC1 ZINC000593530032 530815753 /nfs/dbraw/zinc/81/57/53/530815753.db2.gz FZWIKBQGSGWDLC-UHFFFAOYSA-N -1 3 392.459 0.520 20 5 GCBDHM CS(=O)(=O)N[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593599243 530820368 /nfs/dbraw/zinc/82/03/68/530820368.db2.gz RVJYVLQDWAOIJL-JQWIXIFHSA-N -1 3 392.459 0.376 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-][C@]2(C)CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000275137862 530874476 /nfs/dbraw/zinc/87/44/76/530874476.db2.gz JNHVFAMWNAEIRR-GFCCVEGCSA-N -1 3 382.391 0.598 20 5 GCBDHM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H]1CNCCO1 ZINC000420485279 530870267 /nfs/dbraw/zinc/87/02/67/530870267.db2.gz ZMQWOVBMNUFRLR-VIFPVBQESA-N -1 3 380.220 0.624 20 5 GCBDHM O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000270580064 530870611 /nfs/dbraw/zinc/87/06/11/530870611.db2.gz FLTQVMNULSJBAH-UHFFFAOYSA-N -1 3 385.427 0.963 20 5 GCBDHM CCN(CCO)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000274426044 530904478 /nfs/dbraw/zinc/90/44/78/530904478.db2.gz RGEVQXRQQBEKEZ-UHFFFAOYSA-N -1 3 396.263 0.950 20 5 GCBDHM COC(=O)Nc1ccc(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000275074192 530905987 /nfs/dbraw/zinc/90/59/87/530905987.db2.gz LLVXYEMUPPTPFD-SECBINFHSA-N -1 3 387.292 0.975 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H](O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000275053904 530906198 /nfs/dbraw/zinc/90/61/98/530906198.db2.gz IDNRHOQREXYGCD-ZDUSSCGKSA-N -1 3 378.378 0.808 20 5 GCBDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)[C@H](C)O ZINC000275813717 530909686 /nfs/dbraw/zinc/90/96/86/530909686.db2.gz RDPRCYRZDISKIO-WKEGUHRASA-N -1 3 397.203 0.558 20 5 GCBDHM CS(=O)(=O)NC1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000619751894 530883309 /nfs/dbraw/zinc/88/33/09/530883309.db2.gz AMJGVUGDOSFNBC-UHFFFAOYSA-N -1 3 383.835 0.607 20 5 GCBDHM CO[C@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000594822782 530885758 /nfs/dbraw/zinc/88/57/58/530885758.db2.gz OUONSHYZZJYYBV-QWRGUYRKSA-N -1 3 378.428 0.302 20 5 GCBDHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1[nH]ncc1[N+](=O)[O-] ZINC000442970424 530886770 /nfs/dbraw/zinc/88/67/70/530886770.db2.gz ULEXGNYXKFJGEC-UHFFFAOYSA-N -1 3 375.313 0.304 20 5 GCBDHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1n[nH]cc1[N+](=O)[O-] ZINC000442970424 530886771 /nfs/dbraw/zinc/88/67/71/530886771.db2.gz ULEXGNYXKFJGEC-UHFFFAOYSA-N -1 3 375.313 0.304 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]CCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000425176817 530890863 /nfs/dbraw/zinc/89/08/63/530890863.db2.gz CFCJIKDDXJHGLH-UHFFFAOYSA-N -1 3 384.407 0.846 20 5 GCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(C)NS(C)(=O)=O ZINC000068940665 530896105 /nfs/dbraw/zinc/89/61/05/530896105.db2.gz PIRXOGUKGLZXKC-UHFFFAOYSA-N -1 3 381.432 0.210 20 5 GCBDHM Cc1ccc(S(=O)(=O)[N-]CCS(=O)(=O)NCC2CCC2)c([N+](=O)[O-])c1 ZINC000068938863 530896376 /nfs/dbraw/zinc/89/63/76/530896376.db2.gz VDQMTBJLIFQIDV-UHFFFAOYSA-N -1 3 391.471 0.901 20 5 GCBDHM COc1ccc(S(=O)(=O)[N-]C2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000493302756 530933644 /nfs/dbraw/zinc/93/36/44/530933644.db2.gz IOLDUDUPLCHJIX-UHFFFAOYSA-N -1 3 393.443 0.306 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]C(C)(C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000493442226 530933658 /nfs/dbraw/zinc/93/36/58/530933658.db2.gz KIBIKMBNTZPVPX-UHFFFAOYSA-N -1 3 384.407 0.844 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000467046892 530913949 /nfs/dbraw/zinc/91/39/49/530913949.db2.gz PFGUBNFSKPCQEU-UWVGGRQHSA-N -1 3 397.500 0.961 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-]C[C@](C)(O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000467075197 530914423 /nfs/dbraw/zinc/91/44/23/530914423.db2.gz OHZWXVIBLZUVBH-ZDUSSCGKSA-N -1 3 379.460 0.326 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-]CCC(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000467412234 530915585 /nfs/dbraw/zinc/91/55/85/530915585.db2.gz GXTKRFVCCSDKTM-UHFFFAOYSA-N -1 3 376.460 0.407 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)CS(C)(=O)=O ZINC000469117508 530918142 /nfs/dbraw/zinc/91/81/42/530918142.db2.gz WNAQIRGRXURWHC-UHFFFAOYSA-N -1 3 394.427 0.483 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCCS1(=O)=O ZINC000469146578 530918474 /nfs/dbraw/zinc/91/84/74/530918474.db2.gz WVVMXSPVUZHDSZ-SNVBAGLBSA-N -1 3 392.411 0.237 20 5 GCBDHM O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1CCSC1 ZINC000279869575 530919535 /nfs/dbraw/zinc/91/95/35/530919535.db2.gz FXZKDGYNFXSRLF-NSHDSACASA-N -1 3 388.471 0.925 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(=O)NCC(F)F ZINC000281071911 530921460 /nfs/dbraw/zinc/92/14/60/530921460.db2.gz UWUHCEUVSXFZAI-UHFFFAOYSA-N -1 3 381.313 0.041 20 5 GCBDHM COc1ccc(S(=O)(=O)[N-]CCS(=O)(=O)NC(C)C)c([N+](=O)[O-])c1 ZINC000299350395 530927807 /nfs/dbraw/zinc/92/78/07/530927807.db2.gz CBMNJMRXVDNTBA-UHFFFAOYSA-N -1 3 381.432 0.210 20 5 GCBDHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCn1cc([N+](=O)[O-])cn1 ZINC000296448217 530962587 /nfs/dbraw/zinc/96/25/87/530962587.db2.gz WJEWCPFTIIYSLX-VIFPVBQESA-N -1 3 388.324 0.595 20 5 GCBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CS(=O)(=O)CCO1 ZINC000507886289 530941660 /nfs/dbraw/zinc/94/16/60/530941660.db2.gz GTWLAJGOKROBEI-VIFPVBQESA-N -1 3 384.819 0.340 20 5 GCBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CS(=O)(=O)CCO2)cc1C ZINC000507890886 530941938 /nfs/dbraw/zinc/94/19/38/530941938.db2.gz RDFYNBHIVZJMAY-NSHDSACASA-N -1 3 378.428 0.304 20 5 GCBDHM COC[C@@H](CCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])OC ZINC000597894773 530957205 /nfs/dbraw/zinc/95/72/05/530957205.db2.gz UWKLQYCSWFTSPN-LLVKDONJSA-N -1 3 375.403 0.041 20 5 GCBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCS(=O)(=O)NC1CC1 ZINC000026841832 530978312 /nfs/dbraw/zinc/97/83/12/530978312.db2.gz PZRWIQAPTPQYFU-UHFFFAOYSA-N -1 3 383.835 0.608 20 5 GCBDHM COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000487110677 530981049 /nfs/dbraw/zinc/98/10/49/530981049.db2.gz IIEUSPZBFLIHOQ-AWEZNQCLSA-N -1 3 376.387 0.850 20 5 GCBDHM O=C1CN(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000272252967 530982718 /nfs/dbraw/zinc/98/27/18/530982718.db2.gz YRUUMQYFIHURKA-UHFFFAOYSA-N -1 3 376.822 0.348 20 5 GCBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@H]2CC[C@@H](C(N)=O)O2)c1 ZINC000272455532 530996153 /nfs/dbraw/zinc/99/61/53/530996153.db2.gz KQFJGNVHRQDSTM-SCZZXKLOSA-N -1 3 377.806 0.868 20 5 GCBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@]2(O)CCOC2)ccc1Br ZINC000269964656 530987194 /nfs/dbraw/zinc/98/71/94/530987194.db2.gz JPQHUOAQHATBNV-LLVKDONJSA-N -1 3 381.204 0.787 20 5 GCBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@]2(O)CCOC2)ccc1Br ZINC000269964660 530987674 /nfs/dbraw/zinc/98/76/74/530987674.db2.gz JPQHUOAQHATBNV-NSHDSACASA-N -1 3 381.204 0.787 20 5 GCBDHM O=c1cc(C(F)(F)F)nc(CS(=O)(=O)CCn2cc([N+](=O)[O-])cn2)[n-]1 ZINC000270135795 531020723 /nfs/dbraw/zinc/02/07/23/531020723.db2.gz NNRZFKOKVNBAFD-UHFFFAOYSA-N -1 3 381.292 0.921 20 5 GCBDHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](C)O ZINC000416465776 531031958 /nfs/dbraw/zinc/03/19/58/531031958.db2.gz MWVYRQPGBYRALR-LHLIQPBNSA-N -1 3 386.304 0.814 20 5 GCBDHM CS(=O)(=O)N1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000055214795 530999938 /nfs/dbraw/zinc/99/99/38/530999938.db2.gz IXCGBDSOXVUXDP-UHFFFAOYSA-N -1 3 381.407 0.436 20 5 GCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(CCO)c1ccccc1 ZINC000738357169 599040459 /nfs/dbraw/zinc/04/04/59/599040459.db2.gz DTXIYHFWSFTVTR-UHFFFAOYSA-N -1 3 390.381 0.963 20 5 GCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(CCO)c1ccccc1 ZINC000738357169 599040462 /nfs/dbraw/zinc/04/04/62/599040462.db2.gz DTXIYHFWSFTVTR-UHFFFAOYSA-N -1 3 390.381 0.963 20 5 GCBDHM C[C@H]1CN=C(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)S1 ZINC000820804229 599045946 /nfs/dbraw/zinc/04/59/46/599045946.db2.gz OMPZTJICHLYHIU-VIFPVBQESA-N -1 3 375.418 0.783 20 5 GCBDHM C[C@H]1CN=C(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)S1 ZINC000820804229 599045949 /nfs/dbraw/zinc/04/59/49/599045949.db2.gz OMPZTJICHLYHIU-VIFPVBQESA-N -1 3 375.418 0.783 20 5 GCBDHM O=[N+]([O-])c1cnn(CCN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c1 ZINC000738373891 599124985 /nfs/dbraw/zinc/12/49/85/599124985.db2.gz JMWCFXAYHYOKRP-UHFFFAOYSA-N -1 3 387.379 0.933 20 5 GCBDHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000821601373 599144472 /nfs/dbraw/zinc/14/44/72/599144472.db2.gz DHNKQWNEJNZTKX-UHFFFAOYSA-N -1 3 383.376 0.797 20 5 GCBDHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1nc2sccn2c1[N+](=O)[O-] ZINC000821601419 599144703 /nfs/dbraw/zinc/14/47/03/599144703.db2.gz GGVOHRTWGZWWJE-UHFFFAOYSA-N -1 3 389.405 0.858 20 5 GCBDHM COCCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988472 599205919 /nfs/dbraw/zinc/20/59/19/599205919.db2.gz ORXHIMDEKZKXQF-UHFFFAOYSA-N -1 3 386.372 0.959 20 5 GCBDHM COCCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988472 599205921 /nfs/dbraw/zinc/20/59/21/599205921.db2.gz ORXHIMDEKZKXQF-UHFFFAOYSA-N -1 3 386.372 0.959 20 5 GCBDHM Cc1nc(C)n(C[C@@H]2CN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CCO2)n1 ZINC000737474909 598338196 /nfs/dbraw/zinc/33/81/96/598338196.db2.gz SSESSYNMCOIBLQ-ZDUSSCGKSA-N -1 3 385.388 0.889 20 5 GCBDHM Cc1nc(C)n(C[C@@H]2CN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CCO2)n1 ZINC000737474909 598338197 /nfs/dbraw/zinc/33/81/97/598338197.db2.gz SSESSYNMCOIBLQ-ZDUSSCGKSA-N -1 3 385.388 0.889 20 5 GCBDHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000738033062 598456826 /nfs/dbraw/zinc/45/68/26/598456826.db2.gz TUHLKJCSIQQTAP-UHFFFAOYSA-N -1 3 383.372 0.897 20 5 GCBDHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000738033062 598456827 /nfs/dbraw/zinc/45/68/27/598456827.db2.gz TUHLKJCSIQQTAP-UHFFFAOYSA-N -1 3 383.372 0.897 20 5 GCBDHM Cc1n[nH]c(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1[N+](=O)[O-] ZINC000737201973 598473101 /nfs/dbraw/zinc/47/31/01/598473101.db2.gz LIVRVFIZCIEKKO-UHFFFAOYSA-N -1 3 398.387 0.600 20 5 GCBDHM Cc1n[nH]c(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1[N+](=O)[O-] ZINC000737201973 598473103 /nfs/dbraw/zinc/47/31/03/598473103.db2.gz LIVRVFIZCIEKKO-UHFFFAOYSA-N -1 3 398.387 0.600 20 5 GCBDHM CCN1CCN(C2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)C1=O ZINC000736571476 598501795 /nfs/dbraw/zinc/50/17/95/598501795.db2.gz RLSQYKAUPCRRQB-UHFFFAOYSA-N -1 3 387.404 0.896 20 5 GCBDHM CCN1CCN(C2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)C1=O ZINC000736571476 598501796 /nfs/dbraw/zinc/50/17/96/598501796.db2.gz RLSQYKAUPCRRQB-UHFFFAOYSA-N -1 3 387.404 0.896 20 5 GCBDHM COc1cc(C)nc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)n1 ZINC000737039517 598502055 /nfs/dbraw/zinc/50/20/55/598502055.db2.gz HNWNASXUPSZUFO-UHFFFAOYSA-N -1 3 398.387 0.604 20 5 GCBDHM COc1cc(C)nc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)n1 ZINC000737039517 598502056 /nfs/dbraw/zinc/50/20/56/598502056.db2.gz HNWNASXUPSZUFO-UHFFFAOYSA-N -1 3 398.387 0.604 20 5 GCBDHM Cc1noc([C@H](C)N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)n1 ZINC000737534006 598502658 /nfs/dbraw/zinc/50/26/58/598502658.db2.gz NGRZJOFOYAZEBM-VIFPVBQESA-N -1 3 386.376 0.745 20 5 GCBDHM Cc1noc([C@H](C)N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)n1 ZINC000737534006 598502659 /nfs/dbraw/zinc/50/26/59/598502659.db2.gz NGRZJOFOYAZEBM-VIFPVBQESA-N -1 3 386.376 0.745 20 5 GCBDHM O=[N+]([O-])c1cnc(Sc2nnnn2C2CCOCC2)c(-c2nnn[n-]2)c1 ZINC000738375375 598503174 /nfs/dbraw/zinc/50/31/74/598503174.db2.gz ZOAYVKRJQXROAG-UHFFFAOYSA-N -1 3 376.362 0.659 20 5 GCBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737488394 598510663 /nfs/dbraw/zinc/51/06/63/598510663.db2.gz UIGYXNUGNRTOIT-UHFFFAOYSA-N -1 3 387.360 0.720 20 5 GCBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737488394 598510665 /nfs/dbraw/zinc/51/06/65/598510665.db2.gz UIGYXNUGNRTOIT-UHFFFAOYSA-N -1 3 387.360 0.720 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826424396 607371091 /nfs/dbraw/zinc/37/10/91/607371091.db2.gz KVCRKTPEAKACID-UHFFFAOYSA-N -1 3 384.308 0.363 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826424396 607371093 /nfs/dbraw/zinc/37/10/93/607371093.db2.gz KVCRKTPEAKACID-UHFFFAOYSA-N -1 3 384.308 0.363 20 5 GCBDHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000738261814 599388396 /nfs/dbraw/zinc/38/83/96/599388396.db2.gz UQCZZDYVNDJJFP-LLVKDONJSA-N -1 3 381.356 0.892 20 5 GCBDHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000738261814 599388398 /nfs/dbraw/zinc/38/83/98/599388398.db2.gz UQCZZDYVNDJJFP-LLVKDONJSA-N -1 3 381.356 0.892 20 5 GCBDHM CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737348665 599800645 /nfs/dbraw/zinc/80/06/45/599800645.db2.gz SZLPPHAIMWODSO-HNNXBMFYSA-N -1 3 392.412 0.966 20 5 GCBDHM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826424608 607391827 /nfs/dbraw/zinc/39/18/27/607391827.db2.gz UTMAMQGXLINLLM-UHFFFAOYSA-N -1 3 384.308 0.363 20 5 GCBDHM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826424608 607391829 /nfs/dbraw/zinc/39/18/29/607391829.db2.gz UTMAMQGXLINLLM-UHFFFAOYSA-N -1 3 384.308 0.363 20 5 GCBDHM C[C@@H](NC(=O)c1ccc(N2CCO[C@@H](CN(C)C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736658043 599968768 /nfs/dbraw/zinc/96/87/68/599968768.db2.gz YKSWGSGDDIMGHZ-YPMHNXCESA-N -1 3 380.401 0.565 20 5 GCBDHM COC[C@@](C)(CC(=O)[O-])NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000831573302 601488412 /nfs/dbraw/zinc/48/84/12/601488412.db2.gz NCEJVDVUBSJOEB-GOSISDBHSA-N -1 3 394.428 0.713 20 5 GCBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000826450961 607523565 /nfs/dbraw/zinc/52/35/65/607523565.db2.gz KJMXSKVAQRJSIA-LURJTMIESA-N -1 3 386.777 0.802 20 5 GCBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000826450961 607523566 /nfs/dbraw/zinc/52/35/66/607523566.db2.gz KJMXSKVAQRJSIA-LURJTMIESA-N -1 3 386.777 0.802 20 5 GCBDHM CN(CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)S(C)(=O)=O ZINC000825892281 607524056 /nfs/dbraw/zinc/52/40/56/607524056.db2.gz ILQCAWLYWMWGLA-UHFFFAOYSA-N -1 3 389.781 0.258 20 5 GCBDHM CN(CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)S(C)(=O)=O ZINC000825892281 607524058 /nfs/dbraw/zinc/52/40/58/607524058.db2.gz ILQCAWLYWMWGLA-UHFFFAOYSA-N -1 3 389.781 0.258 20 5 GCBDHM C[C@@H](Cn1ccnc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824466455 607588141 /nfs/dbraw/zinc/58/81/41/607588141.db2.gz XDUUQQKAXGBBQX-VIFPVBQESA-N -1 3 378.374 0.338 20 5 GCBDHM CCN1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1 ZINC000825451198 607594460 /nfs/dbraw/zinc/59/44/60/607594460.db2.gz HFVSQECZYPAGQG-SNVBAGLBSA-N -1 3 381.418 0.538 20 5 GCBDHM CCN1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000825451198 607594462 /nfs/dbraw/zinc/59/44/62/607594462.db2.gz HFVSQECZYPAGQG-SNVBAGLBSA-N -1 3 381.418 0.538 20 5 GCBDHM CN(CCN1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000825937373 607606563 /nfs/dbraw/zinc/60/65/63/607606563.db2.gz BIVUVNOQOYVHCE-UHFFFAOYSA-N -1 3 381.418 0.491 20 5 GCBDHM CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826028922 607616614 /nfs/dbraw/zinc/61/66/14/607616614.db2.gz KTMLMGCQVNOFGP-NSHDSACASA-N -1 3 395.445 0.737 20 5 GCBDHM C[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCN1C ZINC000824886409 607645146 /nfs/dbraw/zinc/64/51/46/607645146.db2.gz YMMDJWCULYBFGU-WDEREUQCSA-N -1 3 395.445 0.878 20 5 GCBDHM CCN1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)[C@@H](C)C1 ZINC000825443516 607654492 /nfs/dbraw/zinc/65/44/92/607654492.db2.gz CWOHBCNDESZHCS-UWVGGRQHSA-N -1 3 381.418 0.393 20 5 GCBDHM CC(C)N1C(=O)N[C@]2(CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)C1=O ZINC000824297045 607676074 /nfs/dbraw/zinc/67/60/74/607676074.db2.gz OVBRPGDVLSQQJJ-INIZCTEOSA-N -1 3 386.372 0.684 20 5 GCBDHM CC(C)N1C(=O)N[C@]2(CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)C1=O ZINC000824297045 607676075 /nfs/dbraw/zinc/67/60/75/607676075.db2.gz OVBRPGDVLSQQJJ-INIZCTEOSA-N -1 3 386.372 0.684 20 5 GCBDHM O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000826500754 607677530 /nfs/dbraw/zinc/67/75/30/607677530.db2.gz KYBJOEMKYIVQLN-UHFFFAOYSA-N -1 3 382.337 0.089 20 5 GCBDHM O=c1c([N+](=O)[O-])cccn1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823657620 606330547 /nfs/dbraw/zinc/33/05/47/606330547.db2.gz SPNNTCQRWSUFPU-UHFFFAOYSA-N -1 3 376.354 0.411 20 5 GCBDHM O=c1c([N+](=O)[O-])cccn1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823657620 606330549 /nfs/dbraw/zinc/33/05/49/606330549.db2.gz SPNNTCQRWSUFPU-UHFFFAOYSA-N -1 3 376.354 0.411 20 5 GCBDHM COC(=O)[C@H](OC(=O)Cn1ccc([N+](=O)[O-])n1)c1cccc(-c2nnn[n-]2)c1 ZINC000821648575 606371685 /nfs/dbraw/zinc/37/16/85/606371685.db2.gz NAWLBUGLFYULMX-CYBMUJFWSA-N -1 3 387.312 0.429 20 5 GCBDHM COC(=O)[C@H](OC(=O)Cn1ccc([N+](=O)[O-])n1)c1cccc(-c2nn[n-]n2)c1 ZINC000821648575 606371687 /nfs/dbraw/zinc/37/16/87/606371687.db2.gz NAWLBUGLFYULMX-CYBMUJFWSA-N -1 3 387.312 0.429 20 5 GCBDHM CNC(=O)CCOC1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000821633029 606427774 /nfs/dbraw/zinc/42/77/74/606427774.db2.gz UVONNJCTBIKREO-UHFFFAOYSA-N -1 3 375.389 0.896 20 5 GCBDHM CNC(=O)CCOC1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000821633029 606427775 /nfs/dbraw/zinc/42/77/75/606427775.db2.gz UVONNJCTBIKREO-UHFFFAOYSA-N -1 3 375.389 0.896 20 5 GCBDHM C[C@]1([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)NC(=O)NC1=O ZINC000820613143 606434366 /nfs/dbraw/zinc/43/43/66/606434366.db2.gz ULGZQLSRDVMJAZ-MGPLVRAMSA-N -1 3 386.372 0.589 20 5 GCBDHM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820767261 606472493 /nfs/dbraw/zinc/47/24/93/606472493.db2.gz HELSGFHPCFTFRB-CABZTGNLSA-N -1 3 381.418 0.857 20 5 GCBDHM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820767261 606472496 /nfs/dbraw/zinc/47/24/96/606472496.db2.gz HELSGFHPCFTFRB-CABZTGNLSA-N -1 3 381.418 0.857 20 5 GCBDHM C[C@@H](C(=O)NC1CC1)N1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000819857256 606644601 /nfs/dbraw/zinc/64/46/01/606644601.db2.gz QETWMUUIWBHVLQ-NSHDSACASA-N -1 3 386.416 0.564 20 5 GCBDHM C[C@@H](C(=O)NC1CC1)N1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000819857256 606644602 /nfs/dbraw/zinc/64/46/02/606644602.db2.gz QETWMUUIWBHVLQ-NSHDSACASA-N -1 3 386.416 0.564 20 5 GCBDHM CN(C1CCN(C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000821622142 606731073 /nfs/dbraw/zinc/73/10/73/606731073.db2.gz TZSRCHJRCWSUMP-UHFFFAOYSA-N -1 3 381.418 0.490 20 5 GCBDHM CN(C1CCN(C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821622142 606731074 /nfs/dbraw/zinc/73/10/74/606731074.db2.gz TZSRCHJRCWSUMP-UHFFFAOYSA-N -1 3 381.418 0.490 20 5 GCBDHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821932898 606808081 /nfs/dbraw/zinc/80/80/81/606808081.db2.gz TXOUPFHTSHJHQG-CABZTGNLSA-N -1 3 381.418 0.905 20 5 GCBDHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821932898 606808082 /nfs/dbraw/zinc/80/80/82/606808082.db2.gz TXOUPFHTSHJHQG-CABZTGNLSA-N -1 3 381.418 0.905 20 5 GCBDHM O=C1OC[C@H]2CN(c3cc(-c4nnn[n-]4)c4cc([N+](=O)[O-])ccc4n3)CCN12 ZINC000823550996 606882249 /nfs/dbraw/zinc/88/22/49/606882249.db2.gz ATHSJYAZKKILNE-SNVBAGLBSA-N -1 3 382.340 0.964 20 5 GCBDHM O=C1OC[C@H]2CN(c3cc(-c4nn[n-]n4)c4cc([N+](=O)[O-])ccc4n3)CCN12 ZINC000823550996 606882251 /nfs/dbraw/zinc/88/22/51/606882251.db2.gz ATHSJYAZKKILNE-SNVBAGLBSA-N -1 3 382.340 0.964 20 5 GCBDHM COCCC(=O)N1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000821685732 607129962 /nfs/dbraw/zinc/12/99/62/607129962.db2.gz NXZLMCKIAVDHJW-UHFFFAOYSA-N -1 3 376.377 0.609 20 5 GCBDHM COCCC(=O)N1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000821685732 607129963 /nfs/dbraw/zinc/12/99/63/607129963.db2.gz NXZLMCKIAVDHJW-UHFFFAOYSA-N -1 3 376.377 0.609 20 5 GCBDHM O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823229104 607228965 /nfs/dbraw/zinc/22/89/65/607228965.db2.gz DIMQCVJVHVOMAN-HNNXBMFYSA-N -1 3 397.399 0.757 20 5 GCBDHM NC(=O)c1ccc(NCCOC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c([N+](=O)[O-])c1 ZINC000826393442 607778550 /nfs/dbraw/zinc/77/85/50/607778550.db2.gz SDHOLRUXTDBRAV-UHFFFAOYSA-N -1 3 386.328 0.471 20 5 GCBDHM O=c1c([N+](=O)[O-])cccn1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826501543 607817445 /nfs/dbraw/zinc/81/74/45/607817445.db2.gz VHPSFTMBSINVEW-UHFFFAOYSA-N -1 3 376.354 0.411 20 5 GCBDHM O=c1c([N+](=O)[O-])cccn1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826501543 607817446 /nfs/dbraw/zinc/81/74/46/607817446.db2.gz VHPSFTMBSINVEW-UHFFFAOYSA-N -1 3 376.354 0.411 20 5 GCBDHM CCn1cc(S(=O)(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])n1 ZINC000825800026 607851734 /nfs/dbraw/zinc/85/17/34/607851734.db2.gz ZRTSPSKLBQPDLM-UHFFFAOYSA-N -1 3 392.401 0.812 20 5 GCBDHM CCn1cc(S(=O)(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])n1 ZINC000825800026 607851735 /nfs/dbraw/zinc/85/17/35/607851735.db2.gz ZRTSPSKLBQPDLM-UHFFFAOYSA-N -1 3 392.401 0.812 20 5 GCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cc(I)c1OCCO ZINC000826497451 607863142 /nfs/dbraw/zinc/86/31/42/607863142.db2.gz HSVFLQVSFYFDTE-UHFFFAOYSA-N -1 3 377.098 0.751 20 5 GCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cc(I)c1OCCO ZINC000826497451 607863143 /nfs/dbraw/zinc/86/31/43/607863143.db2.gz HSVFLQVSFYFDTE-UHFFFAOYSA-N -1 3 377.098 0.751 20 5 GCBDHM COC(=O)[C@@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000826117827 608254829 /nfs/dbraw/zinc/25/48/29/608254829.db2.gz SKAFBPIDOCAUSD-LBPRGKRZSA-N -1 3 387.312 0.580 20 5 GCBDHM COC(=O)[C@@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000826117827 608254830 /nfs/dbraw/zinc/25/48/30/608254830.db2.gz SKAFBPIDOCAUSD-LBPRGKRZSA-N -1 3 387.312 0.580 20 5 GCBDHM Cc1oc(NC(=O)COC(=O)c2nn(C)cc2[N+](=O)[O-])c(-c2nnn[n-]2)c1C ZINC000826342389 608255674 /nfs/dbraw/zinc/25/56/74/608255674.db2.gz ILDZHQIHOAOKDJ-UHFFFAOYSA-N -1 3 390.316 0.514 20 5 GCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826366783 608343460 /nfs/dbraw/zinc/34/34/60/608343460.db2.gz XFUVUGPXJCNPDB-UHFFFAOYSA-N -1 3 383.372 0.471 20 5 GCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826366783 608343461 /nfs/dbraw/zinc/34/34/61/608343461.db2.gz XFUVUGPXJCNPDB-UHFFFAOYSA-N -1 3 383.372 0.471 20 5 GCBDHM C[C@H](OC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824715587 608374764 /nfs/dbraw/zinc/37/47/64/608374764.db2.gz SMYFQXCPQVKVFV-QMMMGPOBSA-N -1 3 386.328 0.692 20 5 GCBDHM C[C@H](OC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824715587 608374767 /nfs/dbraw/zinc/37/47/67/608374767.db2.gz SMYFQXCPQVKVFV-QMMMGPOBSA-N -1 3 386.328 0.692 20 5 GCBDHM COC(=O)[C@@H](OC(=O)c1c([N+](=O)[O-])cnn1C)c1cccc(-c2nnn[n-]2)c1 ZINC000826117907 608375521 /nfs/dbraw/zinc/37/55/21/608375521.db2.gz VCNLIWIIMJKKII-LBPRGKRZSA-N -1 3 387.312 0.580 20 5 GCBDHM COC(=O)[C@@H](OC(=O)c1c([N+](=O)[O-])cnn1C)c1cccc(-c2nn[n-]n2)c1 ZINC000826117907 608375523 /nfs/dbraw/zinc/37/55/23/608375523.db2.gz VCNLIWIIMJKKII-LBPRGKRZSA-N -1 3 387.312 0.580 20 5 GCBDHM COCCN1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1=O ZINC000826159793 608555585 /nfs/dbraw/zinc/55/55/85/608555585.db2.gz SETGIRORQMKADT-UHFFFAOYSA-N -1 3 398.383 0.618 20 5 GCBDHM COCCN1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1=O ZINC000826159793 608555586 /nfs/dbraw/zinc/55/55/86/608555586.db2.gz SETGIRORQMKADT-UHFFFAOYSA-N -1 3 398.383 0.618 20 5 GCBDHM CCc1nn(C)c(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1[N+](=O)[O-] ZINC000825759910 608776983 /nfs/dbraw/zinc/77/69/83/608776983.db2.gz OXOOKUGGJSPZIZ-UHFFFAOYSA-N -1 3 384.404 0.792 20 5 GCBDHM CCc1nn(C)c(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1[N+](=O)[O-] ZINC000825759910 608776985 /nfs/dbraw/zinc/77/69/85/608776985.db2.gz OXOOKUGGJSPZIZ-UHFFFAOYSA-N -1 3 384.404 0.792 20 5 GCBDHM O=[N+]([O-])c1ccc(N2CC(S(=O)(=O)NC3CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000826498283 609367258 /nfs/dbraw/zinc/36/72/58/609367258.db2.gz OHEHAKDOWQPQSX-UHFFFAOYSA-N -1 3 393.429 0.826 20 5 GCBDHM O=[N+]([O-])c1ccc(N2CC(S(=O)(=O)NC3CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000826498283 609367261 /nfs/dbraw/zinc/36/72/61/609367261.db2.gz OHEHAKDOWQPQSX-UHFFFAOYSA-N -1 3 393.429 0.826 20 5 GCBDHM CNC(=O)[C@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000826060523 609387352 /nfs/dbraw/zinc/38/73/52/609387352.db2.gz NVRRIGMFWSKUSV-CYBMUJFWSA-N -1 3 384.356 0.274 20 5 GCBDHM CNC(=O)[C@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000826060523 609387355 /nfs/dbraw/zinc/38/73/55/609387355.db2.gz NVRRIGMFWSKUSV-CYBMUJFWSA-N -1 3 384.356 0.274 20 5 GCBDHM O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826500663 609560907 /nfs/dbraw/zinc/56/09/07/609560907.db2.gz HJCKOAOHAAKZEC-UHFFFAOYSA-N -1 3 398.792 0.603 20 5 GCBDHM O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826500663 609560909 /nfs/dbraw/zinc/56/09/09/609560909.db2.gz HJCKOAOHAAKZEC-UHFFFAOYSA-N -1 3 398.792 0.603 20 5 GCBDHM CS(=O)(=O)c1cc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])ccc1F ZINC000759169663 640544523 /nfs/dbraw/zinc/54/45/23/640544523.db2.gz UYFBLUZEZVYALJ-UHFFFAOYSA-N -1 3 390.374 0.838 20 5 GCBDHM COCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(N)=O ZINC000775741642 641084215 /nfs/dbraw/zinc/08/42/15/641084215.db2.gz PKQDBWAEPADDGM-SECBINFHSA-N -1 3 396.219 0.526 20 5 GCBDHM CS(=O)(=O)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000841477256 642298095 /nfs/dbraw/zinc/29/80/95/642298095.db2.gz KHGVXCHCUNSHGZ-UHFFFAOYSA-N -1 3 376.334 0.937 20 5 GCBDHM CN1C(=O)CN([N-]C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1=O ZINC000785304033 1192197790 /nfs/dbraw/zinc/19/77/90/1192197790.db2.gz FKYYWBHTFBNNAU-UHFFFAOYSA-N -1 3 387.255 0.060 20 5 GCBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)N1c1cnn(C)c1 ZINC000610269987 1184713915 /nfs/dbraw/zinc/71/39/15/1184713915.db2.gz YLNLHONNBXIZKZ-RNCFNFMXSA-N -1 3 397.388 0.940 20 5 GCBDHM CCOC(=O)c1cc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[n-]n1 ZINC000581226657 1185541104 /nfs/dbraw/zinc/54/11/04/1185541104.db2.gz IDFBHGRQEMSQIO-UHFFFAOYSA-N -1 3 387.308 0.729 20 5 GCBDHM CCOC(=O)c1cc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n[n-]1 ZINC000581226657 1185541109 /nfs/dbraw/zinc/54/11/09/1185541109.db2.gz IDFBHGRQEMSQIO-UHFFFAOYSA-N -1 3 387.308 0.729 20 5 GCBDHM CN(C)CCN(CC(=O)[O-])C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000610891016 1186250761 /nfs/dbraw/zinc/25/07/61/1186250761.db2.gz VXIWIEMDPPYZKQ-UHFFFAOYSA-N -1 3 394.384 0.758 20 5 GCBDHM O=C(CNC(=O)c1ccccc1[N+](=O)[O-])Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000065741811 1187240478 /nfs/dbraw/zinc/24/04/78/1187240478.db2.gz BPIOJDVKKGWHST-UHFFFAOYSA-N -1 3 383.320 0.905 20 5 GCBDHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000487338207 1189798742 /nfs/dbraw/zinc/79/87/42/1189798742.db2.gz PCKQPSKOTPYSMU-BDAKNGLRSA-N -1 3 391.377 0.469 20 5 GCBDHM CCc1n[n-]c(S(=O)(=O)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)n1 ZINC000424204756 1194805304 /nfs/dbraw/zinc/80/53/04/1194805304.db2.gz LGXXTTMXXYBJRN-UHFFFAOYSA-N -1 3 383.342 0.416 20 5 GCBDHM CCc1nnc(S(=O)(=O)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[n-]1 ZINC000424204756 1194805306 /nfs/dbraw/zinc/80/53/06/1194805306.db2.gz LGXXTTMXXYBJRN-UHFFFAOYSA-N -1 3 383.342 0.416 20 5 GCBDHM CCn1cc(S(=O)(=O)[N-]C[C@H](C(C)C)N2CCN(C)CC2)c([N+](=O)[O-])n1 ZINC000435809699 1194966644 /nfs/dbraw/zinc/96/66/44/1194966644.db2.gz QLRIHCPZMNWCCQ-CYBMUJFWSA-N -1 3 388.494 0.362 20 5 GCBDHM NC(=O)C1=NO[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000281560998 1196309129 /nfs/dbraw/zinc/30/91/29/1196309129.db2.gz UPEQCHUJEYXEDJ-ZETCQYMHSA-N -1 3 396.303 0.522 20 5 GCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000523684469 1196547668 /nfs/dbraw/zinc/54/76/68/1196547668.db2.gz BIQNKTCUNZWPHM-GFCCVEGCSA-N -1 3 389.368 0.911 20 5 GCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000523693911 1196550497 /nfs/dbraw/zinc/55/04/97/1196550497.db2.gz ILRORHDICOQKIA-QWRGUYRKSA-N -1 3 393.425 0.889 20 5 GCBDHM CCn1cc(S(=O)(=O)[N-]CCCCN2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000532858062 1197416788 /nfs/dbraw/zinc/41/67/88/1197416788.db2.gz BHMQRRKUHHBNCB-CHWSQXEVSA-N -1 3 389.478 0.979 20 5 GCBDHM COc1ccc(CC(=O)NCCNc2ncccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737083724 944955508 /nfs/dbraw/zinc/95/55/08/944955508.db2.gz UIUTYNYOEQWJGV-UHFFFAOYSA-N -1 3 398.383 0.949 20 5 GCBDHM COc1ccc(CC(=O)NCCNc2ncccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737083724 944955521 /nfs/dbraw/zinc/95/55/21/944955521.db2.gz UIUTYNYOEQWJGV-UHFFFAOYSA-N -1 3 398.383 0.949 20 5 GCBDHM O=[N+]([O-])c1cnc(NC2CCN(S(=O)(=O)C3CC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823652173 946462371 /nfs/dbraw/zinc/46/23/71/946462371.db2.gz WGHWCRQQIMSYGL-UHFFFAOYSA-N -1 3 394.417 0.538 20 5 GCBDHM O=[N+]([O-])c1cnc(NC2CCN(S(=O)(=O)C3CC3)CC2)c(-c2nn[n-]n2)c1 ZINC000823652173 946462378 /nfs/dbraw/zinc/46/23/78/946462378.db2.gz WGHWCRQQIMSYGL-UHFFFAOYSA-N -1 3 394.417 0.538 20 5 GCBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3CN4CCN3CC4)cc(-c3nnn[n-]3)c2c1 ZINC000826499419 948415703 /nfs/dbraw/zinc/41/57/03/948415703.db2.gz IAUOEGOYQNIAEC-LBPRGKRZSA-N -1 3 381.400 0.735 20 5 GCBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3CN4CCN3CC4)cc(-c3nn[n-]n3)c2c1 ZINC000826499419 948415709 /nfs/dbraw/zinc/41/57/09/948415709.db2.gz IAUOEGOYQNIAEC-LBPRGKRZSA-N -1 3 381.400 0.735 20 5 GCBDHM CN(C)CCN(CC(=O)[O-])C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001329405316 957694496 /nfs/dbraw/zinc/69/44/96/957694496.db2.gz JKKQEMGIQXDHNV-UHFFFAOYSA-N -1 3 386.792 0.453 20 5 GCBDHM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000600871900 975009344 /nfs/dbraw/zinc/00/93/44/975009344.db2.gz ATQRWFSFHHVUSQ-GFCCVEGCSA-N -1 3 396.448 0.835 20 5 GCBDHM CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001595317201 980489622 /nfs/dbraw/zinc/48/96/22/980489622.db2.gz NNOPHVWKBRJLMR-RYUDHWBXSA-N -1 3 382.421 0.302 20 5 GCBDHM O=C(NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cnccn1 ZINC000608833634 530118585 /nfs/dbraw/zinc/11/85/85/530118585.db2.gz AHLGPLJLZXZPGU-UHFFFAOYSA-N -1 3 385.789 0.747 20 5 GCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNS(=O)(=O)c1ccoc1 ZINC000509399303 530130313 /nfs/dbraw/zinc/13/03/13/530130313.db2.gz BGGFSJXYKSLVEN-UHFFFAOYSA-N -1 3 375.384 0.445 20 5 GCBDHM CC(=O)N1CCN(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609196555 530136292 /nfs/dbraw/zinc/13/62/92/530136292.db2.gz YTENMRJSVNVXQV-UHFFFAOYSA-N -1 3 390.849 0.691 20 5 GCBDHM NS(=O)(=O)c1ccc(F)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000609678922 530139723 /nfs/dbraw/zinc/13/97/23/530139723.db2.gz OWUMPOAQGBTERE-UHFFFAOYSA-N -1 3 389.386 0.860 20 5 GCBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@H]2CC(C(N)=O)=NO2)c1 ZINC000275857287 530151071 /nfs/dbraw/zinc/15/10/71/530151071.db2.gz HZUPXGOBJIEWMN-ZETCQYMHSA-N -1 3 376.778 0.465 20 5 GCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000537182939 530194162 /nfs/dbraw/zinc/19/41/62/530194162.db2.gz JTECRTYVAXHHFU-BXUZGUMPSA-N -1 3 390.439 0.609 20 5 GCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000537182941 530194235 /nfs/dbraw/zinc/19/42/35/530194235.db2.gz JTECRTYVAXHHFU-RISCZKNCSA-N -1 3 390.439 0.609 20 5 GCBDHM COC(=O)CCN1CC[C@H]([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1=O ZINC000537684174 530198208 /nfs/dbraw/zinc/19/82/08/530198208.db2.gz UGSJNIRHWOYKDV-QMMMGPOBSA-N -1 3 391.427 0.636 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2COCCN2)c(Br)c1 ZINC000599105931 530159379 /nfs/dbraw/zinc/15/93/79/530159379.db2.gz GTGOAUNXRVIHTP-MRVPVSSYSA-N -1 3 380.220 0.624 20 5 GCBDHM Cc1ccc(S(=O)(=O)[N-]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000539109672 530250036 /nfs/dbraw/zinc/25/00/36/530250036.db2.gz SXDFACYATRQVMC-UHFFFAOYSA-N -1 3 389.411 0.753 20 5 GCBDHM NC(=O)[C@H]1CCCN1CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000518620443 530217300 /nfs/dbraw/zinc/21/73/00/530217300.db2.gz QWGZMDDVZOUXJZ-LLVKDONJSA-N -1 3 390.849 0.866 20 5 GCBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000561549284 530221962 /nfs/dbraw/zinc/22/19/62/530221962.db2.gz YAOMLDOCQRJFRG-SNVBAGLBSA-N 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CCn1cc(S(=O)(=O)[N-]CC2(SC)CCN(C)CC2)c([N+](=O)[O-])n1 ZINC000589296201 530344510 /nfs/dbraw/zinc/34/45/10/530344510.db2.gz PDMYVCKTCKULSU-UHFFFAOYSA-N -1 3 377.492 0.917 20 5 GCBDHM CCC[C@@H](C)S(=O)(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000563250542 530348975 /nfs/dbraw/zinc/34/89/75/530348975.db2.gz XUBSWWSKCHDSNY-LLVKDONJSA-N -1 3 379.460 0.981 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CO)CCSC ZINC000543197951 530455307 /nfs/dbraw/zinc/45/53/07/530455307.db2.gz YIFKZQGWSZOPDD-SECBINFHSA-N -1 3 378.428 0.774 20 5 GCBDHM CCN(CCO)CC[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000184342689 530499426 /nfs/dbraw/zinc/49/94/26/530499426.db2.gz AXKAMIXUEVPDFM-UHFFFAOYSA-N -1 3 396.263 0.950 20 5 GCBDHM CNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000570754335 530502013 /nfs/dbraw/zinc/50/20/13/530502013.db2.gz OFURXSXQVDNOMA-JTQLQIEISA-N -1 3 377.444 0.749 20 5 GCBDHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)OC ZINC000292019691 530522207 /nfs/dbraw/zinc/52/22/07/530522207.db2.gz WXLBHUGIIYXPNE-SNVBAGLBSA-N -1 3 397.203 0.824 20 5 GCBDHM Cc1nnc(NC(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000265292547 530527299 /nfs/dbraw/zinc/52/72/99/530527299.db2.gz KQQGRHABJQHOSY-UHFFFAOYSA-N -1 3 386.415 0.855 20 5 GCBDHM CCc1nnsc1C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265292224 530527476 /nfs/dbraw/zinc/52/74/76/530527476.db2.gz VEABHYJLGQGPDI-UHFFFAOYSA-N -1 3 385.427 0.717 20 5 GCBDHM CN1CC[C@@](O)(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000545865072 530686200 /nfs/dbraw/zinc/68/62/00/530686200.db2.gz BLHCVHSDCLESDO-GFCCVEGCSA-N -1 3 394.247 0.702 20 5 GCBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C(N)=O)O2)cc1[N+](=O)[O-] ZINC000268388668 530686524 /nfs/dbraw/zinc/68/65/24/530686524.db2.gz WPHJFDCFPKOITG-KWQFWETISA-N -1 3 377.806 0.868 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-]CCS(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000545942029 530687439 /nfs/dbraw/zinc/68/74/39/530687439.db2.gz YHPSSSIGWQEEJJ-UHFFFAOYSA-N -1 3 385.489 0.961 20 5 GCBDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)s1 ZINC000269054136 530696212 /nfs/dbraw/zinc/69/62/12/530696212.db2.gz RJKHMCLKZQUEGL-UHFFFAOYSA-N -1 3 388.431 0.260 20 5 GCBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC(F)(F)C(F)(F)C1 ZINC000457929987 530701224 /nfs/dbraw/zinc/70/12/24/530701224.db2.gz ODHXWMSYFLEUNA-UHFFFAOYSA-N -1 3 385.295 0.986 20 5 GCBDHM CN1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1=O ZINC000269487745 530754585 /nfs/dbraw/zinc/75/45/85/530754585.db2.gz RHLSVTVYKAMWDG-SSDOTTSWSA-N -1 3 378.204 0.866 20 5 GCBDHM CS(=O)(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000067878059 530792385 /nfs/dbraw/zinc/79/23/85/530792385.db2.gz YSKBAJZJZWVIDU-SECBINFHSA-N -1 3 397.862 0.951 20 5 GCBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCN(S(C)(=O)=O)C2)cc1C ZINC000067878004 530792734 /nfs/dbraw/zinc/79/27/34/530792734.db2.gz NPNHRZQMXAAVEM-GFCCVEGCSA-N -1 3 391.471 0.914 20 5 GCBDHM COC(=O)[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000273419548 530811700 /nfs/dbraw/zinc/81/17/00/530811700.db2.gz DEKWRCDLVXXXTK-QMMMGPOBSA-N -1 3 383.176 0.170 20 5 GCBDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCF)C(=O)OC)cc1[N+](=O)[O-] ZINC000593633429 530822463 /nfs/dbraw/zinc/82/24/63/530822463.db2.gz GXWWSTLTDNRQSZ-JTQLQIEISA-N -1 3 378.334 0.561 20 5 GCBDHM CCS(=O)(=O)CCC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000416616640 530848288 /nfs/dbraw/zinc/84/82/88/530848288.db2.gz CNCMDCJXKWSRRR-UHFFFAOYSA-N -1 3 394.427 0.469 20 5 GCBDHM CC(C)NS(=O)(=O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000521804546 530850318 /nfs/dbraw/zinc/85/03/18/530850318.db2.gz KSHDRFLXNCFOBI-UHFFFAOYSA-N -1 3 385.851 0.854 20 5 GCBDHM CCn1cc(S(=O)(=O)[N-]C[C@H](O)CN2CCC(C)CC2)c([N+](=O)[O-])n1 ZINC000532853310 530899114 /nfs/dbraw/zinc/89/91/14/530899114.db2.gz SLFFCRDKOUKILD-LBPRGKRZSA-N -1 3 375.451 0.182 20 5 GCBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCCN(S(C)(=O)=O)C2)c1[N+](=O)[O-] ZINC000276888838 530911720 /nfs/dbraw/zinc/91/17/20/530911720.db2.gz UCPFZIUAXAMDHE-GFCCVEGCSA-N -1 3 391.471 0.914 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]CCN2C(=O)CSC2=O)cc1[N+](=O)[O-] ZINC000275138095 530906973 /nfs/dbraw/zinc/90/69/73/530906973.db2.gz JOZOUCOGHUPNFB-UHFFFAOYSA-N -1 3 393.374 0.716 20 5 GCBDHM O=C1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CN1 ZINC000447035536 530908438 /nfs/dbraw/zinc/90/84/38/530908438.db2.gz CIRZFAFNUKTIRX-ZETCQYMHSA-N -1 3 378.204 0.914 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCCS1(=O)=O ZINC000328375793 530909737 /nfs/dbraw/zinc/90/97/37/530909737.db2.gz LCAPRGRLLOOYEW-JTQLQIEISA-N -1 3 392.411 0.237 20 5 GCBDHM COCC[C@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276213189 530910263 /nfs/dbraw/zinc/91/02/63/530910263.db2.gz LOXXJGYNNASHPB-AWEZNQCLSA-N -1 3 376.387 0.447 20 5 GCBDHM C[C@]1([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000594742922 530878617 /nfs/dbraw/zinc/87/86/17/530878617.db2.gz CJMQLRFVLDRTED-AWEZNQCLSA-N -1 3 385.423 0.999 20 5 GCBDHM CO[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000594826867 530886047 /nfs/dbraw/zinc/88/60/47/530886047.db2.gz PKEOIRDHODESJD-PWSUYJOCSA-N -1 3 378.428 0.302 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2=O)cc1[N+](=O)[O-] ZINC000425225893 530891471 /nfs/dbraw/zinc/89/14/71/530891471.db2.gz PROQMNACPZUZFF-VIFPVBQESA-N -1 3 375.334 0.168 20 5 GCBDHM CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000276774834 530911207 /nfs/dbraw/zinc/91/12/07/530911207.db2.gz HPAPVHZJYLEBLO-UHFFFAOYSA-N -1 3 379.460 0.819 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCN2CCN(CCO)CC2)s1 ZINC000443258224 530893867 /nfs/dbraw/zinc/89/38/67/530893867.db2.gz UJBSGTUKACWZPT-UHFFFAOYSA-N -1 3 392.503 0.325 20 5 GCBDHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CN1CCOCC1 ZINC000443256948 530894288 /nfs/dbraw/zinc/89/42/88/530894288.db2.gz ZNODAZSNEUUGAM-CQSZACIVSA-N -1 3 393.849 0.610 20 5 GCBDHM COCC[C@H](COC)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000427603239 530896513 /nfs/dbraw/zinc/89/65/13/530896513.db2.gz JIMSAXWCKZYYNL-LLVKDONJSA-N -1 3 375.403 0.041 20 5 GCBDHM O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000490887385 530929577 /nfs/dbraw/zinc/92/95/77/530929577.db2.gz VZLSGWPKLWPNJY-SNVBAGLBSA-N -1 3 383.158 0.734 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000491237815 530930166 /nfs/dbraw/zinc/93/01/66/530930166.db2.gz STJYTYKXLYHALZ-QMMMGPOBSA-N -1 3 382.391 0.456 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H](O)COCC2CC2)cc1[N+](=O)[O-] ZINC000491720029 530930668 /nfs/dbraw/zinc/93/06/68/530930668.db2.gz KWWHQIQVIRNOAC-JTQLQIEISA-N -1 3 378.378 0.808 20 5 GCBDHM COC(=O)[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000271793903 530932392 /nfs/dbraw/zinc/93/23/92/530932392.db2.gz VJNBRLFMDQKMCU-MRVPVSSYSA-N -1 3 383.176 0.170 20 5 GCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000501479574 530932834 /nfs/dbraw/zinc/93/28/34/530932834.db2.gz XYQVETDRLWDLDQ-UHFFFAOYSA-N -1 3 393.834 0.752 20 5 GCBDHM COc1c(S(=O)(=O)[N-][C@H](C)C(N)=O)cc(Br)c(C)c1[N+](=O)[O-] ZINC000276947136 530912040 /nfs/dbraw/zinc/91/20/40/530912040.db2.gz TUJFTKGZACSTPW-ZCFIWIBFSA-N -1 3 396.219 0.826 20 5 GCBDHM COC(=O)[C@H](O)C(C)(C)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000277048008 530912309 /nfs/dbraw/zinc/91/23/09/530912309.db2.gz NHAMGVNVXXFHPQ-NSHDSACASA-N -1 3 380.350 0.333 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-]C2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000467417272 530915037 /nfs/dbraw/zinc/91/50/37/530915037.db2.gz KEPBSZGRHXNXNI-UHFFFAOYSA-N -1 3 383.473 0.667 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-]C2CCN(CC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000467425388 530915355 /nfs/dbraw/zinc/91/53/55/530915355.db2.gz ZHJLMQHBCIAWDG-UHFFFAOYSA-N -1 3 390.487 0.796 20 5 GCBDHM CSCC[C@@H](O)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000449921415 530916250 /nfs/dbraw/zinc/91/62/50/530916250.db2.gz HJENWQDLKWOZLG-LLVKDONJSA-N -1 3 377.444 0.103 20 5 GCBDHM CC(=O)CSCC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000278387823 530916414 /nfs/dbraw/zinc/91/64/14/530916414.db2.gz RNUABFAWMGHWQF-UHFFFAOYSA-N -1 3 375.428 0.312 20 5 GCBDHM C[C@@H](C[S@](C)=O)N(C)C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280902201 530920813 /nfs/dbraw/zinc/92/08/13/530920813.db2.gz DXJBLOHRWIDTRY-VCGICTTQSA-N -1 3 377.444 0.099 20 5 GCBDHM CSC[C@@](C)(O)CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000281031186 530921112 /nfs/dbraw/zinc/92/11/12/530921112.db2.gz VFTQFGPAMJPNOY-ZDUSSCGKSA-N -1 3 377.444 0.103 20 5 GCBDHM O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000332602681 530921233 /nfs/dbraw/zinc/92/12/33/530921233.db2.gz IOLUKAWGVGCODV-SNVBAGLBSA-N -1 3 383.158 0.734 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)C(=O)NCCF ZINC000282392952 530923985 /nfs/dbraw/zinc/92/39/85/530923985.db2.gz ROAFTVLLKHFGLS-QMMMGPOBSA-N -1 3 377.350 0.134 20 5 GCBDHM CC1=C([O-])N(C)S(=O)(=O)N1CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000282968693 530924682 /nfs/dbraw/zinc/92/46/82/530924682.db2.gz IXASMEOQZSCKFU-ZETCQYMHSA-N -1 3 376.778 0.594 20 5 GCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1CCN(S(C)(=O)=O)CC1 ZINC000299602074 530927504 /nfs/dbraw/zinc/92/75/04/530927504.db2.gz HMZZZEOIDXKGKY-UHFFFAOYSA-N -1 3 391.471 0.853 20 5 GCBDHM CCn1cc(S(=O)(=O)[N-]CC2(O)CCN(C(C)C)CC2)c([N+](=O)[O-])n1 ZINC000611107403 530945251 /nfs/dbraw/zinc/94/52/51/530945251.db2.gz PFZGAMFDNJBHED-UHFFFAOYSA-N -1 3 375.451 0.325 20 5 GCBDHM CS(=O)(=O)N1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000269862154 530950535 /nfs/dbraw/zinc/95/05/35/530950535.db2.gz JOLMEWMQBMWBCU-SNVBAGLBSA-N -1 3 381.407 0.436 20 5 GCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000269874034 530951615 /nfs/dbraw/zinc/95/16/15/530951615.db2.gz OJJJHSYDPMKVJK-JTQLQIEISA-N -1 3 393.443 0.163 20 5 GCBDHM CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000270182322 531022260 /nfs/dbraw/zinc/02/22/60/531022260.db2.gz JRALZFHHIFOGNN-VIFPVBQESA-N -1 3 394.427 0.468 20 5 GCBDHM Cn1cnc([N+](=O)[O-])c1-c1noc(Cn2cc(Br)c(=O)[n-]c2=O)n1 ZINC000350901691 531043889 /nfs/dbraw/zinc/04/38/89/531043889.db2.gz NGSSAUYPFYIRMF-UHFFFAOYSA-N -1 3 398.133 0.451 20 5 GCBDHM Cc1ncsc1CCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000297044975 531048639 /nfs/dbraw/zinc/04/86/39/531048639.db2.gz VCIZPZKPPKTCKU-UHFFFAOYSA-N -1 3 384.439 0.997 20 5 GCBDHM CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000065267829 531166403 /nfs/dbraw/zinc/16/64/03/531166403.db2.gz IIAKVIPJKHRPTI-UHFFFAOYSA-N -1 3 379.460 0.819 20 5 GCBDHM COCCNC(=O)Cn1cc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC000821691083 599039433 /nfs/dbraw/zinc/03/94/33/599039433.db2.gz HZUMOWWEHDNUFR-UHFFFAOYSA-N -1 3 387.360 0.478 20 5 GCBDHM COCCNC(=O)Cn1cc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC000821691083 599039436 /nfs/dbraw/zinc/03/94/36/599039436.db2.gz HZUMOWWEHDNUFR-UHFFFAOYSA-N -1 3 387.360 0.478 20 5 GCBDHM CCO[C@H]1C[C@H](O)C12CCN(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC000736615021 599046731 /nfs/dbraw/zinc/04/67/31/599046731.db2.gz WXGVCCPUXBHKRK-STQMWFEESA-N -1 3 375.389 0.926 20 5 GCBDHM CCO[C@H]1C[C@H](O)C12CCN(c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)CC2 ZINC000736615021 599046734 /nfs/dbraw/zinc/04/67/34/599046734.db2.gz WXGVCCPUXBHKRK-STQMWFEESA-N -1 3 375.389 0.926 20 5 GCBDHM NC(=O)[C@@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737740734 599112093 /nfs/dbraw/zinc/11/20/93/599112093.db2.gz ODBXHPVJACDETI-ZDUSSCGKSA-N -1 3 383.324 0.741 20 5 GCBDHM NC(=O)[C@@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737740734 599112094 /nfs/dbraw/zinc/11/20/94/599112094.db2.gz ODBXHPVJACDETI-ZDUSSCGKSA-N -1 3 383.324 0.741 20 5 GCBDHM NC(=O)[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000737744267 599112429 /nfs/dbraw/zinc/11/24/29/599112429.db2.gz VKRZGPUUVGZSFI-HNNXBMFYSA-N -1 3 398.335 0.924 20 5 GCBDHM NC(=O)[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000737744267 599112430 /nfs/dbraw/zinc/11/24/30/599112430.db2.gz VKRZGPUUVGZSFI-HNNXBMFYSA-N -1 3 398.335 0.924 20 5 GCBDHM O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1sccc1-c1nnn[n-]1 ZINC000823140140 607297745 /nfs/dbraw/zinc/29/77/45/607297745.db2.gz PHUSCGIFSYUNHO-NEPJUHHUSA-N -1 3 390.381 0.661 20 5 GCBDHM O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1sccc1-c1nn[n-]n1 ZINC000823140140 607297746 /nfs/dbraw/zinc/29/77/46/607297746.db2.gz PHUSCGIFSYUNHO-NEPJUHHUSA-N -1 3 390.381 0.661 20 5 GCBDHM O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000823140525 607297775 /nfs/dbraw/zinc/29/77/75/607297775.db2.gz VVJLUCQDRVSYII-CABCVRRESA-N -1 3 384.352 0.599 20 5 GCBDHM O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000823140525 607297776 /nfs/dbraw/zinc/29/77/76/607297776.db2.gz VVJLUCQDRVSYII-CABCVRRESA-N -1 3 384.352 0.599 20 5 GCBDHM CCOC(=O)CN1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736596906 598246474 /nfs/dbraw/zinc/24/64/74/598246474.db2.gz VCLMWDIHWYQUJS-UHFFFAOYSA-N -1 3 375.389 0.850 20 5 GCBDHM CCOC(=O)CN1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736596906 598246476 /nfs/dbraw/zinc/24/64/76/598246476.db2.gz VCLMWDIHWYQUJS-UHFFFAOYSA-N -1 3 375.389 0.850 20 5 GCBDHM O=C(Nc1ccncc1-c1nnn[n-]1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000738198976 598382557 /nfs/dbraw/zinc/38/25/57/598382557.db2.gz ZSQLVDDOJBQNLT-UHFFFAOYSA-N -1 3 396.367 0.681 20 5 GCBDHM O=C(Nc1ccncc1-c1nn[n-]n1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000738198976 598382558 /nfs/dbraw/zinc/38/25/58/598382558.db2.gz ZSQLVDDOJBQNLT-UHFFFAOYSA-N -1 3 396.367 0.681 20 5 GCBDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1ccccc1[N+](=O)[O-] ZINC000737889604 598403304 /nfs/dbraw/zinc/40/33/04/598403304.db2.gz MOPDUFOLUXSFTJ-UHFFFAOYSA-N -1 3 381.352 0.821 20 5 GCBDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1ccccc1[N+](=O)[O-] ZINC000737889604 598403305 /nfs/dbraw/zinc/40/33/05/598403305.db2.gz MOPDUFOLUXSFTJ-UHFFFAOYSA-N -1 3 381.352 0.821 20 5 GCBDHM NS(=O)(=O)Cc1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737765791 598421207 /nfs/dbraw/zinc/42/12/07/598421207.db2.gz PRUDMRQMRIDDOI-UHFFFAOYSA-N -1 3 390.385 0.571 20 5 GCBDHM NS(=O)(=O)Cc1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737765791 598421209 /nfs/dbraw/zinc/42/12/09/598421209.db2.gz PRUDMRQMRIDDOI-UHFFFAOYSA-N -1 3 390.385 0.571 20 5 GCBDHM CC(=O)N1CCN(C(=O)CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000735464665 598466947 /nfs/dbraw/zinc/46/69/47/598466947.db2.gz CRUIILBYUFZYTM-UHFFFAOYSA-N -1 3 388.388 0.268 20 5 GCBDHM CC(=O)N1CCN(C(=O)CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000735464665 598466948 /nfs/dbraw/zinc/46/69/48/598466948.db2.gz CRUIILBYUFZYTM-UHFFFAOYSA-N -1 3 388.388 0.268 20 5 GCBDHM CCOC(=O)CN1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736595572 598500677 /nfs/dbraw/zinc/50/06/77/598500677.db2.gz KRKRSXCYQVSGGL-UHFFFAOYSA-N -1 3 376.377 0.245 20 5 GCBDHM CCOC(=O)CN1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736595572 598500678 /nfs/dbraw/zinc/50/06/78/598500678.db2.gz KRKRSXCYQVSGGL-UHFFFAOYSA-N -1 3 376.377 0.245 20 5 GCBDHM Cc1noc([C@@H](C)N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)n1 ZINC000737534003 598502800 /nfs/dbraw/zinc/50/28/00/598502800.db2.gz NGRZJOFOYAZEBM-SECBINFHSA-N -1 3 386.376 0.745 20 5 GCBDHM Cc1noc([C@@H](C)N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)n1 ZINC000737534003 598502801 /nfs/dbraw/zinc/50/28/01/598502801.db2.gz NGRZJOFOYAZEBM-SECBINFHSA-N -1 3 386.376 0.745 20 5 GCBDHM Nc1c(-c2nnn[n-]2)cnn1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000737776316 598513133 /nfs/dbraw/zinc/51/31/33/598513133.db2.gz LBVAOWKWJKYPAK-UHFFFAOYSA-N -1 3 391.735 0.277 20 5 GCBDHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000737771535 598604730 /nfs/dbraw/zinc/60/47/30/598604730.db2.gz SEUJYPBUFNVLOZ-UHFFFAOYSA-N -1 3 383.328 0.892 20 5 GCBDHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000737771535 598604732 /nfs/dbraw/zinc/60/47/32/598604732.db2.gz SEUJYPBUFNVLOZ-UHFFFAOYSA-N -1 3 383.328 0.892 20 5 GCBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000821613378 599336304 /nfs/dbraw/zinc/33/63/04/599336304.db2.gz KWKFROINOFHIGV-UHFFFAOYSA-N -1 3 375.370 0.991 20 5 GCBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000821613378 599336307 /nfs/dbraw/zinc/33/63/07/599336307.db2.gz KWKFROINOFHIGV-UHFFFAOYSA-N -1 3 375.370 0.991 20 5 GCBDHM C[C@@H](C(=O)NC1CC1)N1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000824040004 607449062 /nfs/dbraw/zinc/44/90/62/607449062.db2.gz KLCAIMLUAMMCNY-NSHDSACASA-N -1 3 386.416 0.564 20 5 GCBDHM C[C@H](C(=O)NC1CC1)N1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000824040003 607449262 /nfs/dbraw/zinc/44/92/62/607449262.db2.gz KLCAIMLUAMMCNY-LLVKDONJSA-N -1 3 386.416 0.564 20 5 GCBDHM O=C(CN1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1)N1CCCC1 ZINC000826411296 607450543 /nfs/dbraw/zinc/45/05/43/607450543.db2.gz SQDJBNVWGLQSHE-UHFFFAOYSA-N -1 3 386.416 0.519 20 5 GCBDHM O=C([O-])[C@]1(NC(=O)Cn2cnc([N+](=O)[O-])n2)CCCN(Cc2ccccc2)C1 ZINC000833122640 601740898 /nfs/dbraw/zinc/74/08/98/601740898.db2.gz QYKJLCFLDUCUCJ-KRWDZBQOSA-N -1 3 388.384 0.422 20 5 GCBDHM Cn1nc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)ccc1=O ZINC000826365955 607525201 /nfs/dbraw/zinc/52/52/01/607525201.db2.gz LRRZPXINYCVAAJ-UHFFFAOYSA-N -1 3 376.720 0.774 20 5 GCBDHM Cn1nc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)ccc1=O ZINC000826365955 607525203 /nfs/dbraw/zinc/52/52/03/607525203.db2.gz LRRZPXINYCVAAJ-UHFFFAOYSA-N -1 3 376.720 0.774 20 5 GCBDHM CCc1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)[nH]n1 ZINC000825700903 607619923 /nfs/dbraw/zinc/61/99/23/607619923.db2.gz YMLHTFWGYBDIDM-UHFFFAOYSA-N -1 3 378.374 0.539 20 5 GCBDHM CCc1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[nH]n1 ZINC000825700903 607619925 /nfs/dbraw/zinc/61/99/25/607619925.db2.gz YMLHTFWGYBDIDM-UHFFFAOYSA-N -1 3 378.374 0.539 20 5 GCBDHM C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCN1C ZINC000824886406 607644906 /nfs/dbraw/zinc/64/49/06/607644906.db2.gz YMMDJWCULYBFGU-GHMZBOCLSA-N -1 3 395.445 0.878 20 5 GCBDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000825621479 607669946 /nfs/dbraw/zinc/66/99/46/607669946.db2.gz USWQUQCTABXSCT-UHFFFAOYSA-N -1 3 385.340 0.974 20 5 GCBDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000825621479 607669948 /nfs/dbraw/zinc/66/99/48/607669948.db2.gz USWQUQCTABXSCT-UHFFFAOYSA-N -1 3 385.340 0.974 20 5 GCBDHM C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000824977520 607670877 /nfs/dbraw/zinc/67/08/77/607670877.db2.gz QTGGWWKHUHDQQN-MWLCHTKSSA-N -1 3 393.429 0.536 20 5 GCBDHM C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824977520 607670879 /nfs/dbraw/zinc/67/08/79/607670879.db2.gz QTGGWWKHUHDQQN-MWLCHTKSSA-N -1 3 393.429 0.536 20 5 GCBDHM CN(C)C[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000825860713 607673589 /nfs/dbraw/zinc/67/35/89/607673589.db2.gz VAFTZEWXODRWIJ-SNVBAGLBSA-N -1 3 381.418 0.490 20 5 GCBDHM CC(C)N(CCN(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000824288522 607679461 /nfs/dbraw/zinc/67/94/61/607679461.db2.gz IVJABJPJORXHOT-UHFFFAOYSA-N -1 3 383.434 0.736 20 5 GCBDHM CC(C)N(CCN(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824288522 607679462 /nfs/dbraw/zinc/67/94/62/607679462.db2.gz IVJABJPJORXHOT-UHFFFAOYSA-N -1 3 383.434 0.736 20 5 GCBDHM CN1C(=O)N[C@]2(CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1=O ZINC000821620285 606422269 /nfs/dbraw/zinc/42/22/69/606422269.db2.gz DORREBIRMLGIEB-HWPZZCPQSA-N -1 3 386.372 0.907 20 5 GCBDHM CN1C(=O)N[C@]2(CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1=O ZINC000821620285 606422270 /nfs/dbraw/zinc/42/22/70/606422270.db2.gz DORREBIRMLGIEB-HWPZZCPQSA-N -1 3 386.372 0.907 20 5 GCBDHM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820767260 606472792 /nfs/dbraw/zinc/47/27/92/606472792.db2.gz HELSGFHPCFTFRB-BXKDBHETSA-N -1 3 381.418 0.857 20 5 GCBDHM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820767260 606472794 /nfs/dbraw/zinc/47/27/94/606472794.db2.gz HELSGFHPCFTFRB-BXKDBHETSA-N -1 3 381.418 0.857 20 5 GCBDHM CN1CCN(c2ncccc2CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821628719 606702941 /nfs/dbraw/zinc/70/29/41/606702941.db2.gz OWFXZBZNXPBXHP-UHFFFAOYSA-N -1 3 396.415 0.929 20 5 GCBDHM CN1CCN(c2ncccc2CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821628719 606702942 /nfs/dbraw/zinc/70/29/42/606702942.db2.gz OWFXZBZNXPBXHP-UHFFFAOYSA-N -1 3 396.415 0.929 20 5 GCBDHM Cn1cc(CN2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cn1 ZINC000822679563 606709061 /nfs/dbraw/zinc/70/90/61/606709061.db2.gz GOMNBWXJKPANQF-UHFFFAOYSA-N -1 3 384.404 0.616 20 5 GCBDHM Cn1cc(CN2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cn1 ZINC000822679563 606709063 /nfs/dbraw/zinc/70/90/63/606709063.db2.gz GOMNBWXJKPANQF-UHFFFAOYSA-N -1 3 384.404 0.616 20 5 GCBDHM CN([C@H]1CCN(C2CC2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000821592386 606734976 /nfs/dbraw/zinc/73/49/76/606734976.db2.gz DCAPHZFONJXAAP-NSHDSACASA-N -1 3 393.429 0.632 20 5 GCBDHM CN([C@H]1CCN(C2CC2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821592386 606734977 /nfs/dbraw/zinc/73/49/77/606734977.db2.gz DCAPHZFONJXAAP-NSHDSACASA-N -1 3 393.429 0.632 20 5 GCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCO[C@H](CNc2cccnn2)C1 ZINC000823629794 606789454 /nfs/dbraw/zinc/78/94/54/606789454.db2.gz HGWODFYDYYPOFK-GFCCVEGCSA-N -1 3 383.372 0.882 20 5 GCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCO[C@H](CNc2cccnn2)C1 ZINC000823629794 606789456 /nfs/dbraw/zinc/78/94/56/606789456.db2.gz HGWODFYDYYPOFK-GFCCVEGCSA-N -1 3 383.372 0.882 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1=O ZINC000821669068 606862124 /nfs/dbraw/zinc/86/21/24/606862124.db2.gz WQQBFZATXBGRRE-CYBMUJFWSA-N -1 3 386.324 0.457 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000821669068 606862126 /nfs/dbraw/zinc/86/21/26/606862126.db2.gz WQQBFZATXBGRRE-CYBMUJFWSA-N -1 3 386.324 0.457 20 5 GCBDHM NC(=O)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(-c2nnn[n-]2)cc1 ZINC000822850534 607003749 /nfs/dbraw/zinc/00/37/49/607003749.db2.gz JUKQKHYVTAJUJR-CYBMUJFWSA-N -1 3 383.324 0.741 20 5 GCBDHM NC(=O)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(-c2nn[n-]n2)cc1 ZINC000822850534 607003751 /nfs/dbraw/zinc/00/37/51/607003751.db2.gz JUKQKHYVTAJUJR-CYBMUJFWSA-N -1 3 383.324 0.741 20 5 GCBDHM NC(=O)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(-c2nnn[n-]2)cc1 ZINC000822850535 607004009 /nfs/dbraw/zinc/00/40/09/607004009.db2.gz JUKQKHYVTAJUJR-ZDUSSCGKSA-N -1 3 383.324 0.741 20 5 GCBDHM NC(=O)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(-c2nn[n-]n2)cc1 ZINC000822850535 607004011 /nfs/dbraw/zinc/00/40/11/607004011.db2.gz JUKQKHYVTAJUJR-ZDUSSCGKSA-N -1 3 383.324 0.741 20 5 GCBDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000822152057 607230669 /nfs/dbraw/zinc/23/06/69/607230669.db2.gz FFJCRQVQAGPPOW-UHFFFAOYSA-N -1 3 378.374 0.258 20 5 GCBDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000822152057 607230670 /nfs/dbraw/zinc/23/06/70/607230670.db2.gz FFJCRQVQAGPPOW-UHFFFAOYSA-N -1 3 378.374 0.258 20 5 GCBDHM O=[N+]([O-])c1cc(N2CCN(c3ccc4nncn4n3)CC2)ccc1-c1nnn[n-]1 ZINC000826498450 607841541 /nfs/dbraw/zinc/84/15/41/607841541.db2.gz VHAPAARBFZVVII-UHFFFAOYSA-N -1 3 393.371 0.539 20 5 GCBDHM NC(=O)c1cc([N+](=O)[O-])cnc1N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826392689 608052441 /nfs/dbraw/zinc/05/24/41/608052441.db2.gz IZMIJMSRWXIKOY-AWEZNQCLSA-N -1 3 396.367 0.847 20 5 GCBDHM NC(=O)c1cc([N+](=O)[O-])cnc1N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826392689 608052442 /nfs/dbraw/zinc/05/24/42/608052442.db2.gz IZMIJMSRWXIKOY-AWEZNQCLSA-N -1 3 396.367 0.847 20 5 GCBDHM O=C(COc1cccc(-c2nnn[n-]2)c1)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000826418410 608057540 /nfs/dbraw/zinc/05/75/40/608057540.db2.gz FVOATXAXFPCARK-UHFFFAOYSA-N -1 3 386.324 0.559 20 5 GCBDHM O=C(COc1cccc(-c2nn[n-]n2)c1)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000826418410 608057541 /nfs/dbraw/zinc/05/75/41/608057541.db2.gz FVOATXAXFPCARK-UHFFFAOYSA-N -1 3 386.324 0.559 20 5 GCBDHM O=c1ccc([N+](=O)[O-])cn1CCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826501783 608061814 /nfs/dbraw/zinc/06/18/14/608061814.db2.gz HAQAFDZVQPKIBO-UHFFFAOYSA-N -1 3 397.399 0.154 20 5 GCBDHM O=c1ccc([N+](=O)[O-])cn1CCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826501783 608061815 /nfs/dbraw/zinc/06/18/15/608061815.db2.gz HAQAFDZVQPKIBO-UHFFFAOYSA-N -1 3 397.399 0.154 20 5 GCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826327768 608081778 /nfs/dbraw/zinc/08/17/78/608081778.db2.gz UJHGHJPPQUZORF-CQSZACIVSA-N -1 3 398.383 0.880 20 5 GCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826327768 608081779 /nfs/dbraw/zinc/08/17/79/608081779.db2.gz UJHGHJPPQUZORF-CQSZACIVSA-N -1 3 398.383 0.880 20 5 GCBDHM O=C(CCn1cc([N+](=O)[O-])cn1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826409524 608085078 /nfs/dbraw/zinc/08/50/78/608085078.db2.gz DASMWAAPWDCYGJ-HNNXBMFYSA-N -1 3 398.383 0.962 20 5 GCBDHM O=C(CCn1cc([N+](=O)[O-])cn1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826409524 608085079 /nfs/dbraw/zinc/08/50/79/608085079.db2.gz DASMWAAPWDCYGJ-HNNXBMFYSA-N -1 3 398.383 0.962 20 5 GCBDHM O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826475013 608109624 /nfs/dbraw/zinc/10/96/24/608109624.db2.gz OTHDFSANGFXKNF-UHFFFAOYSA-N -1 3 387.335 0.600 20 5 GCBDHM O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826475013 608109625 /nfs/dbraw/zinc/10/96/25/608109625.db2.gz OTHDFSANGFXKNF-UHFFFAOYSA-N -1 3 387.335 0.600 20 5 GCBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000826161531 608138748 /nfs/dbraw/zinc/13/87/48/608138748.db2.gz NBMQRFRXANMLSB-UHFFFAOYSA-N -1 3 389.332 0.030 20 5 GCBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000826161598 608138918 /nfs/dbraw/zinc/13/89/18/608138918.db2.gz PTLZGJXEQPPNIR-UHFFFAOYSA-N -1 3 388.344 0.635 20 5 GCBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826246593 608163233 /nfs/dbraw/zinc/16/32/33/608163233.db2.gz HJVILZKDEXQOOY-CVEARBPZSA-N -1 3 398.379 0.908 20 5 GCBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826246593 608163234 /nfs/dbraw/zinc/16/32/34/608163234.db2.gz HJVILZKDEXQOOY-CVEARBPZSA-N -1 3 398.379 0.908 20 5 GCBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826246595 608163514 /nfs/dbraw/zinc/16/35/14/608163514.db2.gz HJVILZKDEXQOOY-HZPDHXFCSA-N -1 3 398.379 0.908 20 5 GCBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826246595 608163515 /nfs/dbraw/zinc/16/35/15/608163515.db2.gz HJVILZKDEXQOOY-HZPDHXFCSA-N -1 3 398.379 0.908 20 5 GCBDHM O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000826425928 608163895 /nfs/dbraw/zinc/16/38/95/608163895.db2.gz ACMCOJGKHJGMHD-YPMHNXCESA-N -1 3 390.381 0.661 20 5 GCBDHM O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000826425928 608163896 /nfs/dbraw/zinc/16/38/96/608163896.db2.gz ACMCOJGKHJGMHD-YPMHNXCESA-N -1 3 390.381 0.661 20 5 GCBDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000826158911 608278458 /nfs/dbraw/zinc/27/84/58/608278458.db2.gz IKOCGOGRQNCYEM-UHFFFAOYSA-N -1 3 386.372 0.797 20 5 GCBDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000826158911 608278459 /nfs/dbraw/zinc/27/84/59/608278459.db2.gz IKOCGOGRQNCYEM-UHFFFAOYSA-N -1 3 386.372 0.797 20 5 GCBDHM NC(=O)c1cc([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)n[nH]1 ZINC000826392600 608293617 /nfs/dbraw/zinc/29/36/17/608293617.db2.gz FAWUTIQQMSPJSY-SECBINFHSA-N -1 3 383.372 0.981 20 5 GCBDHM NC(=O)c1cc([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)n[nH]1 ZINC000826392600 608293619 /nfs/dbraw/zinc/29/36/19/608293619.db2.gz FAWUTIQQMSPJSY-SECBINFHSA-N -1 3 383.372 0.981 20 5 GCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826366720 608376785 /nfs/dbraw/zinc/37/67/85/608376785.db2.gz VCLHRJCQXLBNRL-UHFFFAOYSA-N -1 3 397.311 0.915 20 5 GCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826366720 608376787 /nfs/dbraw/zinc/37/67/87/608376787.db2.gz VCLHRJCQXLBNRL-UHFFFAOYSA-N -1 3 397.311 0.915 20 5 GCBDHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000825938417 608391373 /nfs/dbraw/zinc/39/13/73/608391373.db2.gz SLUYOXOKTXFSAE-UHFFFAOYSA-N -1 3 384.364 0.192 20 5 GCBDHM O=C(Cn1cc(Cl)cc([N+](=O)[O-])c1=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826424718 608407338 /nfs/dbraw/zinc/40/73/38/608407338.db2.gz ZPPXENVGHMQQQA-UHFFFAOYSA-N -1 3 389.759 0.906 20 5 GCBDHM O=C(Cn1cc(Cl)cc([N+](=O)[O-])c1=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826424718 608407340 /nfs/dbraw/zinc/40/73/40/608407340.db2.gz ZPPXENVGHMQQQA-UHFFFAOYSA-N -1 3 389.759 0.906 20 5 GCBDHM NC(=O)[C@@H](OC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000826388679 609349872 /nfs/dbraw/zinc/34/98/72/609349872.db2.gz GQJLRSDTCFCHNN-ZDUSSCGKSA-N -1 3 383.324 0.741 20 5 GCBDHM NC(=O)[C@@H](OC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000826388679 609349874 /nfs/dbraw/zinc/34/98/74/609349874.db2.gz GQJLRSDTCFCHNN-ZDUSSCGKSA-N -1 3 383.324 0.741 20 5 GCBDHM O=C(Nc1ccncc1[N+](=O)[O-])N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826458955 609356956 /nfs/dbraw/zinc/35/69/56/609356956.db2.gz OHNRTZIKONGMAL-UHFFFAOYSA-N -1 3 396.371 0.341 20 5 GCBDHM O=C(Nc1ccncc1[N+](=O)[O-])N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826458955 609356958 /nfs/dbraw/zinc/35/69/58/609356958.db2.gz OHNRTZIKONGMAL-UHFFFAOYSA-N -1 3 396.371 0.341 20 5 GCBDHM COC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])cnc1N)c1cccc(-c2nnn[n-]2)c1 ZINC000826116922 609384646 /nfs/dbraw/zinc/38/46/46/609384646.db2.gz FMUVBTAORPIONF-LBPRGKRZSA-N -1 3 399.323 0.823 20 5 GCBDHM COC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])cnc1N)c1cccc(-c2nn[n-]n2)c1 ZINC000826116922 609384648 /nfs/dbraw/zinc/38/46/48/609384648.db2.gz FMUVBTAORPIONF-LBPRGKRZSA-N -1 3 399.323 0.823 20 5 GCBDHM COC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(-c2nnn[n-]2)cc1 ZINC000826117017 609384937 /nfs/dbraw/zinc/38/49/37/609384937.db2.gz GWGNFKOQWMUFOW-LBPRGKRZSA-N -1 3 399.323 0.823 20 5 GCBDHM COC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(-c2nn[n-]n2)cc1 ZINC000826117017 609384939 /nfs/dbraw/zinc/38/49/39/609384939.db2.gz GWGNFKOQWMUFOW-LBPRGKRZSA-N -1 3 399.323 0.823 20 5 GCBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826396453 609385702 /nfs/dbraw/zinc/38/57/02/609385702.db2.gz YVNGMTWMYDILKV-UHFFFAOYSA-N -1 3 384.312 0.548 20 5 GCBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826396453 609385704 /nfs/dbraw/zinc/38/57/04/609385704.db2.gz YVNGMTWMYDILKV-UHFFFAOYSA-N -1 3 384.312 0.548 20 5 GCBDHM NC(=O)c1ccc(COC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000826393405 609628209 /nfs/dbraw/zinc/62/82/09/609628209.db2.gz QPVGKSJYWUGNSB-AWEZNQCLSA-N -1 3 398.335 0.651 20 5 GCBDHM NC(=O)c1ccc(COC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000826393405 609628210 /nfs/dbraw/zinc/62/82/10/609628210.db2.gz QPVGKSJYWUGNSB-AWEZNQCLSA-N -1 3 398.335 0.651 20 5 GCBDHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000761419422 640593837 /nfs/dbraw/zinc/59/38/37/640593837.db2.gz UANOMBLIWKCWLI-GFCCVEGCSA-N -1 3 375.403 0.264 20 5 GCBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cnn(C)c1 ZINC000610269841 1184714238 /nfs/dbraw/zinc/71/42/38/1184714238.db2.gz MTISUEVHXYYLCK-XHDPSFHLSA-N -1 3 393.425 0.942 20 5 GCBDHM COC(=O)CC[C@@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000277000593 1186221863 /nfs/dbraw/zinc/22/18/63/1186221863.db2.gz GMBRXMWSXDKPFH-GFCCVEGCSA-N -1 3 388.398 0.552 20 5 GCBDHM O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCc1ncccc1[O-] ZINC000472154374 1186399262 /nfs/dbraw/zinc/39/92/62/1186399262.db2.gz JMFPHPMUOWJRRB-UHFFFAOYSA-N -1 3 380.382 0.969 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)Cn2ccnn2)c(C(F)(F)F)c1 ZINC000416550940 1189548319 /nfs/dbraw/zinc/54/83/19/1189548319.db2.gz RNDKCJIGSIZVIS-SECBINFHSA-N -1 3 395.319 0.545 20 5 GCBDHM COCCN(C)CCN1C[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1=O ZINC000425307023 1194904370 /nfs/dbraw/zinc/90/43/70/1194904370.db2.gz AYMSANOHINVRFQ-ZDUSSCGKSA-N -1 3 380.401 0.209 20 5 GCBDHM O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1[O-] ZINC000436716930 1195029324 /nfs/dbraw/zinc/02/93/24/1195029324.db2.gz AVDYVHZXFGGBNQ-UHFFFAOYSA-N -1 3 381.366 0.714 20 5 GCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000522262315 1196068122 /nfs/dbraw/zinc/06/81/22/1196068122.db2.gz QIDFBPDLJLBBKP-JTQLQIEISA-N -1 3 379.398 0.414 20 5 GCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000524409306 1196593228 /nfs/dbraw/zinc/59/32/28/1196593228.db2.gz WTEKOFPQYPWEIK-QWRGUYRKSA-N -1 3 377.357 0.421 20 5 GCBDHM CCOCCS(=O)(=O)[N-]CC(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000767376225 1201971393 /nfs/dbraw/zinc/97/13/93/1201971393.db2.gz ITCNQBCWYDIFQY-UHFFFAOYSA-N -1 3 387.370 0.735 20 5 GCBDHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CCn2cc([N+](=O)[O-])cn2)c1F ZINC000769452743 1202058498 /nfs/dbraw/zinc/05/84/98/1202058498.db2.gz VPHYIMLXZWCYKV-UHFFFAOYSA-N -1 3 390.324 0.835 20 5 GCBDHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000770112413 1202085346 /nfs/dbraw/zinc/08/53/46/1202085346.db2.gz PJCHBRBCFCVADK-GFCCVEGCSA-N -1 3 387.414 0.701 20 5 GCBDHM Cn1cnnc1Sc1ccc(C(=O)[N-]N2CC(=O)N(C)C2=O)cc1[N+](=O)[O-] ZINC000770454578 1202099693 /nfs/dbraw/zinc/09/96/93/1202099693.db2.gz HKUYDGDOXYCQFQ-UHFFFAOYSA-N -1 3 391.369 0.413 20 5 GCBDHM CCS(=O)(=O)CCn1cc(C)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000787803699 1205403633 /nfs/dbraw/zinc/40/36/33/1205403633.db2.gz QVQMITXGRPOZFG-UHFFFAOYSA-N -1 3 383.386 0.887 20 5 GCBDHM O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCCc2c(=O)[n-]cnc21 ZINC001132783538 1205651773 /nfs/dbraw/zinc/65/17/73/1205651773.db2.gz MDLLROXBNCUZQG-UHFFFAOYSA-N -1 3 385.336 0.795 20 5 GCBDHM NC(=O)c1ccc(NCCOC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000826393369 948200789 /nfs/dbraw/zinc/20/07/89/948200789.db2.gz PDLSQKUYEXYYJT-UHFFFAOYSA-N -1 3 386.328 0.471 20 5 GCBDHM NC(=O)c1ccc(NCCOC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000826393369 948200799 /nfs/dbraw/zinc/20/07/99/948200799.db2.gz PDLSQKUYEXYYJT-UHFFFAOYSA-N -1 3 386.328 0.471 20 5 GCBDHM 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530941759 /nfs/dbraw/zinc/94/17/59/530941759.db2.gz GTWLAJGOKROBEI-SECBINFHSA-N -1 3 384.819 0.340 20 5 GCBDHM CS(=O)(=O)N1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000269889244 530979134 /nfs/dbraw/zinc/97/91/34/530979134.db2.gz VLEIHEZXRHFYRW-SNVBAGLBSA-N -1 3 397.862 0.951 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCn2ncnn2)c(Br)c1 ZINC000447017694 530991118 /nfs/dbraw/zinc/99/11/18/530991118.db2.gz PLAWRHDFBKZCIU-UHFFFAOYSA-N -1 3 377.180 0.322 20 5 GCBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C(N)=O)O2)c1 ZINC000272455536 530996084 /nfs/dbraw/zinc/99/60/84/530996084.db2.gz KQFJGNVHRQDSTM-WPRPVWTQSA-N -1 3 377.806 0.868 20 5 GCBDHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000487406235 531042469 /nfs/dbraw/zinc/04/24/69/531042469.db2.gz XZEHGBUKDVYMQB-HTQZYQBOSA-N -1 3 393.443 0.699 20 5 GCBDHM CS[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000270355058 531086542 /nfs/dbraw/zinc/08/65/42/531086542.db2.gz DLSUGBIVJJPBBH-QPUJVOFHSA-N -1 3 378.428 0.757 20 5 GCBDHM NC(=O)[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738729 599121476 /nfs/dbraw/zinc/12/14/76/599121476.db2.gz WMXXIAQHOOKEIG-HNNXBMFYSA-N -1 3 398.335 0.924 20 5 GCBDHM NC(=O)[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738729 599121477 /nfs/dbraw/zinc/12/14/77/599121477.db2.gz WMXXIAQHOOKEIG-HNNXBMFYSA-N -1 3 398.335 0.924 20 5 GCBDHM Cc1nn(C)c(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000737510732 599123401 /nfs/dbraw/zinc/12/34/01/599123401.db2.gz UOVXFVQKKUUDSD-LBPRGKRZSA-N -1 3 386.328 0.200 20 5 GCBDHM Cc1nn(C)c(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000737510732 599123404 /nfs/dbraw/zinc/12/34/04/599123404.db2.gz UOVXFVQKKUUDSD-LBPRGKRZSA-N -1 3 386.328 0.200 20 5 GCBDHM Cn1ccnc1[C@H](O)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000822699056 607306416 /nfs/dbraw/zinc/30/64/16/607306416.db2.gz MSNMPQGHEOTBQW-ZWNOBZJWSA-N -1 3 385.388 0.853 20 5 GCBDHM O=C(CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)N1CCOCC1 ZINC000737848063 599265239 /nfs/dbraw/zinc/26/52/39/599265239.db2.gz NUOLKIJRIJOLLK-UHFFFAOYSA-N -1 3 398.383 0.984 20 5 GCBDHM O=C(CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)N1CCOCC1 ZINC000737848063 599265242 /nfs/dbraw/zinc/26/52/42/599265242.db2.gz NUOLKIJRIJOLLK-UHFFFAOYSA-N -1 3 398.383 0.984 20 5 GCBDHM Cn1ccnc1[C@@H](O)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000822699055 607306409 /nfs/dbraw/zinc/30/64/09/607306409.db2.gz MSNMPQGHEOTBQW-MFKMUULPSA-N -1 3 385.388 0.853 20 5 GCBDHM Cn1ccnc1[C@@H](O)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000822699055 607306410 /nfs/dbraw/zinc/30/64/10/607306410.db2.gz MSNMPQGHEOTBQW-MFKMUULPSA-N -1 3 385.388 0.853 20 5 GCBDHM Cn1ccnc1[C@H](O)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000822699056 607306415 /nfs/dbraw/zinc/30/64/15/607306415.db2.gz MSNMPQGHEOTBQW-ZWNOBZJWSA-N -1 3 385.388 0.853 20 5 GCBDHM COc1ccnc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)n1 ZINC000737158299 598241803 /nfs/dbraw/zinc/24/18/03/598241803.db2.gz DVCFOHYMMAFVMF-UHFFFAOYSA-N -1 3 384.360 0.295 20 5 GCBDHM COc1ccnc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)n1 ZINC000737158299 598241805 /nfs/dbraw/zinc/24/18/05/598241805.db2.gz DVCFOHYMMAFVMF-UHFFFAOYSA-N -1 3 384.360 0.295 20 5 GCBDHM NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737756380 598244776 /nfs/dbraw/zinc/24/47/76/598244776.db2.gz WDYHMXZNNAFVIX-UHFFFAOYSA-N -1 3 395.383 0.595 20 5 GCBDHM NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737756380 598244778 /nfs/dbraw/zinc/24/47/78/598244778.db2.gz WDYHMXZNNAFVIX-UHFFFAOYSA-N -1 3 395.383 0.595 20 5 GCBDHM Cc1nn(CCC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c(C)c1[N+](=O)[O-] ZINC000737513508 598294983 /nfs/dbraw/zinc/29/49/83/598294983.db2.gz POFNEJQBAQQHRO-UHFFFAOYSA-N -1 3 390.364 0.000 20 5 GCBDHM Cc1nn(CCC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c(C)c1[N+](=O)[O-] ZINC000737513508 598294984 /nfs/dbraw/zinc/29/49/84/598294984.db2.gz POFNEJQBAQQHRO-UHFFFAOYSA-N -1 3 390.364 0.000 20 5 GCBDHM CCOC[C@H](O)CN1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000736609217 598339082 /nfs/dbraw/zinc/33/90/82/598339082.db2.gz PDHBFIQVUXQGQH-CYBMUJFWSA-N -1 3 377.405 0.294 20 5 GCBDHM CN(C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1)c1cccnn1 ZINC000821597609 607382539 /nfs/dbraw/zinc/38/25/39/607382539.db2.gz BATDSUQGSUWXMK-GFCCVEGCSA-N -1 3 398.387 0.302 20 5 GCBDHM CN(C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1)c1cccnn1 ZINC000821597609 607382541 /nfs/dbraw/zinc/38/25/41/607382541.db2.gz BATDSUQGSUWXMK-GFCCVEGCSA-N -1 3 398.387 0.302 20 5 GCBDHM CN(C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1)c1cccnn1 ZINC000821597610 607382805 /nfs/dbraw/zinc/38/28/05/607382805.db2.gz BATDSUQGSUWXMK-LBPRGKRZSA-N -1 3 398.387 0.302 20 5 GCBDHM CN(C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1)c1cccnn1 ZINC000821597610 607382807 /nfs/dbraw/zinc/38/28/07/607382807.db2.gz BATDSUQGSUWXMK-LBPRGKRZSA-N -1 3 398.387 0.302 20 5 GCBDHM Cn1ccnc1[C@H](O)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000822698944 607387589 /nfs/dbraw/zinc/38/75/89/607387589.db2.gz JGIGZBFWGMXTAU-CYBMUJFWSA-N -1 3 385.388 0.853 20 5 GCBDHM Cn1ccnc1[C@H](O)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000822698944 607387590 /nfs/dbraw/zinc/38/75/90/607387590.db2.gz JGIGZBFWGMXTAU-CYBMUJFWSA-N -1 3 385.388 0.853 20 5 GCBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000826450962 607523436 /nfs/dbraw/zinc/52/34/36/607523436.db2.gz KJMXSKVAQRJSIA-ZCFIWIBFSA-N -1 3 386.777 0.802 20 5 GCBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000826450962 607523439 /nfs/dbraw/zinc/52/34/39/607523439.db2.gz KJMXSKVAQRJSIA-ZCFIWIBFSA-N -1 3 386.777 0.802 20 5 GCBDHM CCN1C[C@@H](C)[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1 ZINC000825443519 607654382 /nfs/dbraw/zinc/65/43/82/607654382.db2.gz CWOHBCNDESZHCS-ZJUUUORDSA-N -1 3 381.418 0.393 20 5 GCBDHM C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CN1C1CC1 ZINC000824892705 607667237 /nfs/dbraw/zinc/66/72/37/607667237.db2.gz MBOALQZTJFKJPI-NXEZZACHSA-N -1 3 393.429 0.678 20 5 GCBDHM C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CN1C1CC1 ZINC000824892705 607667239 /nfs/dbraw/zinc/66/72/39/607667239.db2.gz MBOALQZTJFKJPI-NXEZZACHSA-N -1 3 393.429 0.678 20 5 GCBDHM O=C([O-])C1(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCS(=O)(=O)CC1 ZINC000833110427 604440145 /nfs/dbraw/zinc/44/01/45/604440145.db2.gz QUBXWUDEJNNKMY-UHFFFAOYSA-N -1 3 397.409 0.106 20 5 GCBDHM O=C(NCCCO)C1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000826436662 607727516 /nfs/dbraw/zinc/72/75/16/607727516.db2.gz CRMBLMNMTDNPFJ-UHFFFAOYSA-N -1 3 375.389 0.490 20 5 GCBDHM O=C(NCCCO)C1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000826436662 607727518 /nfs/dbraw/zinc/72/75/18/607727518.db2.gz CRMBLMNMTDNPFJ-UHFFFAOYSA-N -1 3 375.389 0.490 20 5 GCBDHM COC(=O)[C@@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000821648646 606370477 /nfs/dbraw/zinc/37/04/77/606370477.db2.gz OTZJTYHFIHPEHA-ZDUSSCGKSA-N -1 3 387.312 0.429 20 5 GCBDHM COC(=O)[C@@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000821648646 606370479 /nfs/dbraw/zinc/37/04/79/606370479.db2.gz OTZJTYHFIHPEHA-ZDUSSCGKSA-N -1 3 387.312 0.429 20 5 GCBDHM CN1C(=O)N[C@]2(CCC[C@H]2CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1=O ZINC000821620233 606422474 /nfs/dbraw/zinc/42/24/74/606422474.db2.gz CPNACGSFCVEVTG-AYVTZFPOSA-N -1 3 387.360 0.302 20 5 GCBDHM CN1C(=O)N[C@]2(CCC[C@H]2CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1=O ZINC000821620233 606422477 /nfs/dbraw/zinc/42/24/77/606422477.db2.gz CPNACGSFCVEVTG-AYVTZFPOSA-N -1 3 387.360 0.302 20 5 GCBDHM CNC(=O)CCOC1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000821632929 606427660 /nfs/dbraw/zinc/42/76/60/606427660.db2.gz PITBAYATJZJDOK-UHFFFAOYSA-N -1 3 375.389 0.896 20 5 GCBDHM CNC(=O)CCOC1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000821632929 606427662 /nfs/dbraw/zinc/42/76/62/606427662.db2.gz PITBAYATJZJDOK-UHFFFAOYSA-N -1 3 375.389 0.896 20 5 GCBDHM O=C1NC[C@@H]2CN(c3cc(-c4nnn[n-]4)c4cc([N+](=O)[O-])ccc4n3)CCN12 ZINC000823540891 606429259 /nfs/dbraw/zinc/42/92/59/606429259.db2.gz KRKNKHVXWHADIP-SNVBAGLBSA-N -1 3 381.356 0.537 20 5 GCBDHM O=C1NC[C@@H]2CN(c3cc(-c4nn[n-]n4)c4cc([N+](=O)[O-])ccc4n3)CCN12 ZINC000823540891 606429261 /nfs/dbraw/zinc/42/92/61/606429261.db2.gz KRKNKHVXWHADIP-SNVBAGLBSA-N -1 3 381.356 0.537 20 5 GCBDHM C[C@@]1([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)NC(=O)NC1=O ZINC000820612680 606434376 /nfs/dbraw/zinc/43/43/76/606434376.db2.gz HJZONDBFXROLNU-ABKXIKBNSA-N -1 3 386.372 0.589 20 5 GCBDHM C[C@@]1([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)NC(=O)NC1=O ZINC000820612680 606434377 /nfs/dbraw/zinc/43/43/77/606434377.db2.gz HJZONDBFXROLNU-ABKXIKBNSA-N -1 3 386.372 0.589 20 5 GCBDHM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820766938 606472804 /nfs/dbraw/zinc/47/28/04/606472804.db2.gz FLWFIMINHYECCZ-GXSJLCMTSA-N -1 3 381.418 0.857 20 5 GCBDHM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820766938 606472805 /nfs/dbraw/zinc/47/28/05/606472805.db2.gz FLWFIMINHYECCZ-GXSJLCMTSA-N -1 3 381.418 0.857 20 5 GCBDHM C[C@H](C(=O)NC1CC1)N1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000819857255 606644625 /nfs/dbraw/zinc/64/46/25/606644625.db2.gz QETWMUUIWBHVLQ-LLVKDONJSA-N -1 3 386.416 0.564 20 5 GCBDHM C[C@H](C(=O)NC1CC1)N1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000819857255 606644626 /nfs/dbraw/zinc/64/46/26/606644626.db2.gz QETWMUUIWBHVLQ-LLVKDONJSA-N -1 3 386.416 0.564 20 5 GCBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cnn(CCN2CCOCC2)c1 ZINC000823630040 606707320 /nfs/dbraw/zinc/70/73/20/606707320.db2.gz QHIXWFQXZFRTBY-UHFFFAOYSA-N -1 3 386.376 0.442 20 5 GCBDHM O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823487458 606779558 /nfs/dbraw/zinc/77/95/58/606779558.db2.gz CVGDOFSKOXHANG-UHFFFAOYSA-N -1 3 381.356 0.527 20 5 GCBDHM O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823487458 606779561 /nfs/dbraw/zinc/77/95/61/606779561.db2.gz CVGDOFSKOXHANG-UHFFFAOYSA-N -1 3 381.356 0.527 20 5 GCBDHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821932901 606807934 /nfs/dbraw/zinc/80/79/34/606807934.db2.gz TXOUPFHTSHJHQG-SKDRFNHKSA-N -1 3 381.418 0.905 20 5 GCBDHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821932901 606807935 /nfs/dbraw/zinc/80/79/35/606807935.db2.gz TXOUPFHTSHJHQG-SKDRFNHKSA-N -1 3 381.418 0.905 20 5 GCBDHM NC(=O)[C@@H]1CC[C@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)O1 ZINC000822860634 607118383 /nfs/dbraw/zinc/11/83/83/607118383.db2.gz ZXBJGSJFJWJGKZ-RNCFNFMXSA-N -1 3 384.356 0.768 20 5 GCBDHM NC(=O)[C@@H]1CC[C@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)O1 ZINC000822860634 607118385 /nfs/dbraw/zinc/11/83/85/607118385.db2.gz ZXBJGSJFJWJGKZ-RNCFNFMXSA-N -1 3 384.356 0.768 20 5 GCBDHM O=C(NCCn1cc([N+](=O)[O-])cn1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000823229025 607173886 /nfs/dbraw/zinc/17/38/86/607173886.db2.gz ASSWYBKQKBLWRA-UHFFFAOYSA-N -1 3 375.324 0.610 20 5 GCBDHM O=C(NCCn1cc([N+](=O)[O-])cn1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000823229025 607173887 /nfs/dbraw/zinc/17/38/87/607173887.db2.gz ASSWYBKQKBLWRA-UHFFFAOYSA-N -1 3 375.324 0.610 20 5 GCBDHM O=[N+]([O-])c1cnn(C[C@@H](O)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000826500958 607868659 /nfs/dbraw/zinc/86/86/59/607868659.db2.gz SVTJXVIBNBLMLE-AWEZNQCLSA-N -1 3 381.356 0.896 20 5 GCBDHM O=[N+]([O-])c1cnn(C[C@@H](O)Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000826500958 607868660 /nfs/dbraw/zinc/86/86/60/607868660.db2.gz SVTJXVIBNBLMLE-AWEZNQCLSA-N -1 3 381.356 0.896 20 5 GCBDHM NS(=O)(=O)[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000826394354 607899584 /nfs/dbraw/zinc/89/95/84/607899584.db2.gz GYCJGOHXWKTLLK-SECBINFHSA-N -1 3 390.385 0.190 20 5 GCBDHM NS(=O)(=O)[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000826394354 607899585 /nfs/dbraw/zinc/89/95/85/607899585.db2.gz GYCJGOHXWKTLLK-SECBINFHSA-N -1 3 390.385 0.190 20 5 GCBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826421852 608163979 /nfs/dbraw/zinc/16/39/79/608163979.db2.gz CAIWRPMQZKOWCE-NVXWUHKLSA-N -1 3 398.379 0.528 20 5 GCBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826421852 608163980 /nfs/dbraw/zinc/16/39/80/608163980.db2.gz CAIWRPMQZKOWCE-NVXWUHKLSA-N -1 3 398.379 0.528 20 5 GCBDHM C[C@@H](O)C(=O)N1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000824678473 608234224 /nfs/dbraw/zinc/23/42/24/608234224.db2.gz MUJLJVGGPDNNAA-SNVBAGLBSA-N -1 3 398.383 0.353 20 5 GCBDHM C[C@@H](O)C(=O)N1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000824678473 608234225 /nfs/dbraw/zinc/23/42/25/608234225.db2.gz MUJLJVGGPDNNAA-SNVBAGLBSA-N -1 3 398.383 0.353 20 5 GCBDHM NC(=O)c1cc([C@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)n[nH]1 ZINC000826392667 608293400 /nfs/dbraw/zinc/29/34/00/608293400.db2.gz HYSYYLOJOLKDNC-QMMMGPOBSA-N -1 3 384.360 0.376 20 5 GCBDHM NC(=O)c1cc([C@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)n[nH]1 ZINC000826392667 608293402 /nfs/dbraw/zinc/29/34/02/608293402.db2.gz HYSYYLOJOLKDNC-QMMMGPOBSA-N -1 3 384.360 0.376 20 5 GCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826366316 608332462 /nfs/dbraw/zinc/33/24/62/608332462.db2.gz BWOIIMPRDVSBRC-UHFFFAOYSA-N -1 3 397.399 0.861 20 5 GCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826366316 608332463 /nfs/dbraw/zinc/33/24/63/608332463.db2.gz BWOIIMPRDVSBRC-UHFFFAOYSA-N -1 3 397.399 0.861 20 5 GCBDHM O=[N+]([O-])c1cccc(S(=O)(=O)NCCCn2ccnc2)c1-c1nn[n-]n1 ZINC000826500122 608352133 /nfs/dbraw/zinc/35/21/33/608352133.db2.gz LZQVBVNRNLPNBC-UHFFFAOYSA-N -1 3 378.374 0.340 20 5 GCBDHM C[C@H](OC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824712919 608375150 /nfs/dbraw/zinc/37/51/50/608375150.db2.gz FGAADLOKAMFNEY-QMMMGPOBSA-N -1 3 386.328 0.692 20 5 GCBDHM C[C@H](OC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824712919 608375152 /nfs/dbraw/zinc/37/51/52/608375152.db2.gz FGAADLOKAMFNEY-QMMMGPOBSA-N -1 3 386.328 0.692 20 5 GCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826366391 608376104 /nfs/dbraw/zinc/37/61/04/608376104.db2.gz GEECUTNJLHYEGK-LBPRGKRZSA-N -1 3 398.339 0.471 20 5 GCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826366391 608376106 /nfs/dbraw/zinc/37/61/06/608376106.db2.gz GEECUTNJLHYEGK-LBPRGKRZSA-N -1 3 398.339 0.471 20 5 GCBDHM 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ZINC000278215529 1186834945 /nfs/dbraw/zinc/83/49/45/1186834945.db2.gz RMTAPVSGJVCFFR-UHFFFAOYSA-N -1 3 376.329 0.003 20 5 GCBDHM O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000065741826 1187240320 /nfs/dbraw/zinc/24/03/20/1187240320.db2.gz XQAYBEYDILMEFS-UHFFFAOYSA-N -1 3 383.320 0.905 20 5 GCBDHM O=c1[n-]cnc2c1CCN(S(=O)(=O)c1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000612429237 1187487768 /nfs/dbraw/zinc/48/77/68/1187487768.db2.gz ORHXQFBEOOBDHJ-UHFFFAOYSA-N -1 3 394.365 0.609 20 5 GCBDHM NC(=O)[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000416427490 1189515599 /nfs/dbraw/zinc/51/55/99/1189515599.db2.gz MXYASJYQYXVOHS-SCZZXKLOSA-N -1 3 397.331 0.925 20 5 GCBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H]1CN2CCN1CC2 ZINC000416440700 1189519224 /nfs/dbraw/zinc/51/92/24/1189519224.db2.gz SZNOTVRVEGTNQV-LLVKDONJSA-N -1 3 394.375 0.892 20 5 GCBDHM O=C1CN(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1 ZINC000416453368 1189520936 /nfs/dbraw/zinc/52/09/36/1189520936.db2.gz GASZEROYKROSOD-UHFFFAOYSA-N -1 3 396.347 0.324 20 5 GCBDHM NS(=O)(=O)c1ccc(NCCNC(=O)c2ccc([O-])cc2)c([N+](=O)[O-])c1 ZINC000047537836 1193919580 /nfs/dbraw/zinc/91/95/80/1193919580.db2.gz FRBOVJUFWYKNBX-UHFFFAOYSA-N -1 3 380.382 0.790 20 5 GCBDHM NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCCNC(=O)c1ccc([O-])cc1 ZINC000436806712 1195038910 /nfs/dbraw/zinc/03/89/10/1195038910.db2.gz IWLBXJKMYBWXTO-UHFFFAOYSA-N -1 3 380.382 0.790 20 5 GCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000524409304 1196592751 /nfs/dbraw/zinc/59/27/51/1196592751.db2.gz WTEKOFPQYPWEIK-GHMZBOCLSA-N -1 3 377.357 0.421 20 5 GCBDHM CN(C)C(=O)[C@@H]1CCCN1CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525175044 1196655109 /nfs/dbraw/zinc/65/51/09/1196655109.db2.gz COQKZZJTMXMEGL-LBPRGKRZSA-N -1 3 385.446 0.211 20 5 GCBDHM CN1CCN(c2cc(C[N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])ccn2)CC1 ZINC000525700512 1196701547 /nfs/dbraw/zinc/70/15/47/1196701547.db2.gz JERWGVANCYCMHT-UHFFFAOYSA-N -1 3 392.441 0.615 20 5 GCBDHM CCn1cc(S(=O)(=O)[N-]CCCCN2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000532858064 1197416614 /nfs/dbraw/zinc/41/66/14/1197416614.db2.gz BHMQRRKUHHBNCB-STQMWFEESA-N -1 3 389.478 0.979 20 5 GCBDHM CNc1nccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1[N+](=O)[O-] ZINC000566443185 1200738300 /nfs/dbraw/zinc/73/83/00/1200738300.db2.gz OQDAVPXPASRMEH-UHFFFAOYSA-N -1 3 385.380 1.335 20 5 GCBDHM CNc1nccc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])c1[N+](=O)[O-] ZINC000597653617 1200741170 /nfs/dbraw/zinc/74/11/70/1200741170.db2.gz QAAQYADATLVXCR-UWVGGRQHSA-N -1 3 388.384 1.525 20 5 GCBDHM COC(=O)c1ccc(S(=O)(=O)N2CCc3c(nc[n-]c3=O)C2)c([N+](=O)[O-])c1 ZINC000767850370 1201989958 /nfs/dbraw/zinc/98/99/58/1201989958.db2.gz KRXGXFPPYJUPJQ-UHFFFAOYSA-N -1 3 394.365 0.624 20 5 GCBDHM Cc1ncc(NC2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c(=O)[n-]1 ZINC001173696495 1205726697 /nfs/dbraw/zinc/72/66/97/1205726697.db2.gz YSLBUIYYJACPJD-CYBMUJFWSA-N -1 3 393.425 0.736 20 5 GCBDHM Cc1cc(C)nc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)n1 ZINC000826265520 947766660 /nfs/dbraw/zinc/76/66/60/947766660.db2.gz CGXSSFSAAYCQLQ-UHFFFAOYSA-N -1 3 382.388 0.903 20 5 GCBDHM Cc1cc(C)nc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)n1 ZINC000826265520 947766663 /nfs/dbraw/zinc/76/66/63/947766663.db2.gz CGXSSFSAAYCQLQ-UHFFFAOYSA-N -1 3 382.388 0.903 20 5 GCBDHM Nc1cc(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000826395829 948204943 /nfs/dbraw/zinc/20/49/43/948204943.db2.gz UTINUSYJTLLZFA-UHFFFAOYSA-N -1 3 397.399 0.571 20 5 GCBDHM Nc1cc(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000826395829 948204948 /nfs/dbraw/zinc/20/49/48/948204948.db2.gz UTINUSYJTLLZFA-UHFFFAOYSA-N -1 3 397.399 0.571 20 5 GCBDHM CSc1nnc(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[n-]1 ZINC000608986401 530134036 /nfs/dbraw/zinc/13/40/36/530134036.db2.gz BTUSLQQVPFDECG-UHFFFAOYSA-N -1 3 386.415 0.742 20 5 GCBDHM CSc1n[n-]c(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000608986401 530134037 /nfs/dbraw/zinc/13/40/37/530134037.db2.gz BTUSLQQVPFDECG-UHFFFAOYSA-N -1 3 386.415 0.742 20 5 GCBDHM CSc1nc(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000608986401 530134038 /nfs/dbraw/zinc/13/40/38/530134038.db2.gz BTUSLQQVPFDECG-UHFFFAOYSA-N -1 3 386.415 0.742 20 5 GCBDHM COC(=O)CCN1CC[C@@H]([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1=O ZINC000537684171 530198185 /nfs/dbraw/zinc/19/81/85/530198185.db2.gz UGSJNIRHWOYKDV-MRVPVSSYSA-N -1 3 391.427 0.636 20 5 GCBDHM COC(=O)C[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000599461406 530164500 /nfs/dbraw/zinc/16/45/00/530164500.db2.gz DUEUFMKDVZTJOJ-MRVPVSSYSA-N -1 3 397.203 0.560 20 5 GCBDHM COC(=O)C[C@H](O)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000599461322 530164633 /nfs/dbraw/zinc/16/46/33/530164633.db2.gz CLPDPCAVISGBNC-VIFPVBQESA-N -1 3 397.203 0.560 20 5 GCBDHM COC(=O)c1cn(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)nn1 ZINC000560069713 530170099 /nfs/dbraw/zinc/17/00/99/530170099.db2.gz GKFHNGHQUIDDPG-UHFFFAOYSA-N -1 3 375.388 0.321 20 5 GCBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCN2S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000511429048 530182786 /nfs/dbraw/zinc/18/27/86/530182786.db2.gz LNWFPXDOZOIWJM-LBPRGKRZSA-N -1 3 391.471 0.996 20 5 GCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)NS(C)(=O)=O)c1C ZINC000610800227 530224458 /nfs/dbraw/zinc/22/44/58/530224458.db2.gz PQSXXFRGXSRWRG-UHFFFAOYSA-N -1 3 379.460 0.818 20 5 GCBDHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H](C)O ZINC000274361383 530251663 /nfs/dbraw/zinc/25/16/63/530251663.db2.gz NLQBXAVTSAJDKI-LHLIQPBNSA-N -1 3 397.203 0.558 20 5 GCBDHM CS(=O)(=O)N1CCC(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000043956178 530239411 /nfs/dbraw/zinc/23/94/11/530239411.db2.gz LVQKHWOJICTLRP-UHFFFAOYSA-N -1 3 377.444 0.545 20 5 GCBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(S(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000513110461 530252032 /nfs/dbraw/zinc/25/20/32/530252032.db2.gz OYVKOORYQVXHKI-NSHDSACASA-N -1 3 377.444 0.463 20 5 GCBDHM C[C@@H]1CSC[C@H]1NC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000561925672 530247040 /nfs/dbraw/zinc/24/70/40/530247040.db2.gz PYKZTEGISFPRIQ-GHMZBOCLSA-N -1 3 388.471 0.924 20 5 GCBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C1CCS(=O)CC1)OCCO2 ZINC000540050907 530254407 /nfs/dbraw/zinc/25/44/07/530254407.db2.gz GPHDCOFWWPRUKA-UHFFFAOYSA-N -1 3 376.412 0.555 20 5 GCBDHM COC[C@](C)(O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000451647745 530256319 /nfs/dbraw/zinc/25/63/19/530256319.db2.gz JHLQDHJXWAACLA-CQSZACIVSA-N -1 3 376.387 0.447 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCS(=O)(=O)C(C)C ZINC000288364989 530259931 /nfs/dbraw/zinc/25/99/31/530259931.db2.gz IYRXWTILGOBAPX-UHFFFAOYSA-N -1 3 394.427 0.483 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000288425418 530260237 /nfs/dbraw/zinc/26/02/37/530260237.db2.gz OVSJRLGWTQNJMR-GZMMTYOYSA-N -1 3 392.411 0.093 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2(S(C)(=O)=O)CCC2)cc1[N+](=O)[O-] ZINC000280117007 530261827 /nfs/dbraw/zinc/26/18/27/530261827.db2.gz CFKHPFAOUFNEBL-UHFFFAOYSA-N -1 3 396.418 0.988 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(S(C)(=O)=O)CC1 ZINC000280167503 530302946 /nfs/dbraw/zinc/30/29/46/530302946.db2.gz GWFBQTWOZILIIY-UHFFFAOYSA-N -1 3 392.411 0.237 20 5 GCBDHM COc1ccc(S(=O)(=O)[N-]CC2(S(C)(=O)=O)CCC2)c([N+](=O)[O-])c1 ZINC000280256233 530313385 /nfs/dbraw/zinc/31/33/85/530313385.db2.gz NNCURIDDHJGNCB-UHFFFAOYSA-N -1 3 378.428 0.849 20 5 GCBDHM COC(=O)CCN1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1=O ZINC000467056317 530359205 /nfs/dbraw/zinc/35/92/05/530359205.db2.gz HAUCVEKMVAMDIV-VIFPVBQESA-N -1 3 391.427 0.407 20 5 GCBDHM NC(=O)NC(=O)CC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000480835545 530364086 /nfs/dbraw/zinc/36/40/86/530364086.db2.gz BJZHPYGGNMITNA-UHFFFAOYSA-N -1 3 395.191 0.221 20 5 GCBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@]1(O)CCS(=O)(=O)C1 ZINC000565235685 530351782 /nfs/dbraw/zinc/35/17/82/530351782.db2.gz RXNKBYDSGFYXDC-LLVKDONJSA-N -1 3 384.819 0.076 20 5 GCBDHM CN1CCO[C@@H](C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000108873905 530430404 /nfs/dbraw/zinc/43/04/04/530430404.db2.gz MJHCWJAGXMVUFJ-NSHDSACASA-N -1 3 394.247 0.966 20 5 GCBDHM O=C([N-]N1CCCNC1=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290965373 530480892 /nfs/dbraw/zinc/48/08/92/530480892.db2.gz CUTLKWJFXYHJOT-UHFFFAOYSA-N -1 3 386.162 0.742 20 5 GCBDHM CCS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000438885074 530571751 /nfs/dbraw/zinc/57/17/51/530571751.db2.gz IJFILTWVYGELQR-UHFFFAOYSA-N -1 3 391.471 0.771 20 5 GCBDHM CCn1cnc(S(=O)(=O)[N-]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000544673665 530577520 /nfs/dbraw/zinc/57/75/20/530577520.db2.gz IYOCEEMGQGMSLB-UHFFFAOYSA-N -1 3 388.427 0.563 20 5 GCBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCN2C(=O)CCC2=O)cc1[N+](=O)[O-] ZINC000267654257 530591881 /nfs/dbraw/zinc/59/18/81/530591881.db2.gz VNNWLRBZAWQNEG-UHFFFAOYSA-N -1 3 375.790 0.984 20 5 GCBDHM CS(=O)(=O)N[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000268304595 530683946 /nfs/dbraw/zinc/68/39/46/530683946.db2.gz XRGIXUPZVQKNIC-WDEREUQCSA-N -1 3 377.444 0.591 20 5 GCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000268265337 530682326 /nfs/dbraw/zinc/68/23/26/530682326.db2.gz ROBAZIBHSCVPAX-RYUDHWBXSA-N -1 3 391.471 0.899 20 5 GCBDHM CN1CC[C@](O)(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000545865073 530686254 /nfs/dbraw/zinc/68/62/54/530686254.db2.gz BLHCVHSDCLESDO-LBPRGKRZSA-N -1 3 394.247 0.702 20 5 GCBDHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000552120503 530762930 /nfs/dbraw/zinc/76/29/30/530762930.db2.gz QVCCUFOGGANRMV-UHFFFAOYSA-N -1 3 379.807 0.741 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCS(=O)(=O)C2)c(Br)c1 ZINC000269456937 530746642 /nfs/dbraw/zinc/74/66/42/530746642.db2.gz FWQKCLGIQSQBCK-ZETCQYMHSA-N -1 3 399.244 0.823 20 5 GCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000067878046 530792437 /nfs/dbraw/zinc/79/24/37/530792437.db2.gz CBEQGUZEPJAWDV-LLVKDONJSA-N -1 3 377.444 0.606 20 5 GCBDHM CS(=O)(=O)N1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000067878056 530792452 /nfs/dbraw/zinc/79/24/52/530792452.db2.gz YSKBAJZJZWVIDU-VIFPVBQESA-N -1 3 397.862 0.951 20 5 GCBDHM COCC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273540214 530815245 /nfs/dbraw/zinc/81/52/45/530815245.db2.gz LIOAZVXZSHJGOU-CQSZACIVSA-N -1 3 376.387 0.447 20 5 GCBDHM CCS(=O)(=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273519969 530815396 /nfs/dbraw/zinc/81/53/96/530815396.db2.gz JNNZHBKVBVNCMJ-UHFFFAOYSA-N -1 3 380.400 0.094 20 5 GCBDHM CS(=O)(=O)c1ccc(NCC[N-]S(=O)(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000445668757 530819356 /nfs/dbraw/zinc/81/93/56/530819356.db2.gz QHKKURZMYHPUCW-UHFFFAOYSA-N -1 3 389.411 0.982 20 5 GCBDHM Nc1nc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)ncc1[N+](=O)[O-] ZINC000298719165 530822859 /nfs/dbraw/zinc/82/28/59/530822859.db2.gz NLHAUGGCMAEXST-UHFFFAOYSA-N -1 3 384.443 0.976 20 5 GCBDHM O=C1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CN1 ZINC000416577814 530847466 /nfs/dbraw/zinc/84/74/66/530847466.db2.gz GEZNKHDTXFNQMY-SSDOTTSWSA-N -1 3 378.204 0.772 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]CCN2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000548369447 530868196 /nfs/dbraw/zinc/86/81/96/530868196.db2.gz BEYCSMXEWKGIPE-JTQLQIEISA-N -1 3 377.394 0.742 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000275053901 530906210 /nfs/dbraw/zinc/90/62/10/530906210.db2.gz IDNRHOQREXYGCD-CYBMUJFWSA-N -1 3 378.378 0.808 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCN2CCOCC2)c(Br)c1 ZINC000446936017 530907965 /nfs/dbraw/zinc/90/79/65/530907965.db2.gz JJRXYNUREOOUBN-UHFFFAOYSA-N -1 3 394.247 0.968 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCS(=O)(=O)C1 ZINC000328260006 530909474 /nfs/dbraw/zinc/90/94/74/530909474.db2.gz CYTKFYFNIJOZNI-VIFPVBQESA-N -1 3 392.411 0.094 20 5 GCBDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H](C)O ZINC000275775463 530909728 /nfs/dbraw/zinc/90/97/28/530909728.db2.gz MQPRKRIGIBRECF-LDWIPMOCSA-N -1 3 397.203 0.558 20 5 GCBDHM COCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276213195 530910734 /nfs/dbraw/zinc/91/07/34/530910734.db2.gz LOXXJGYNNASHPB-CQSZACIVSA-N -1 3 376.387 0.447 20 5 GCBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC(NS(C)(=O)=O)C2)cc1C ZINC000619752103 530882876 /nfs/dbraw/zinc/88/28/76/530882876.db2.gz HQHBHMATYOGIPW-UHFFFAOYSA-N -1 3 377.444 0.570 20 5 GCBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C2CC(NS(C)(=O)=O)C2)c1[N+](=O)[O-] ZINC000619751983 530883115 /nfs/dbraw/zinc/88/31/15/530883115.db2.gz OBRVOOHNKCDQOX-UHFFFAOYSA-N -1 3 377.444 0.570 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]CCN2C(=O)CCC2=O)cc1[N+](=O)[O-] ZINC000275107331 530886453 /nfs/dbraw/zinc/88/64/53/530886453.db2.gz VMCAAJATELXMSZ-UHFFFAOYSA-N -1 3 375.334 0.170 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2CCN(C)C(=O)C2)cc1[N+](=O)[O-] ZINC000425185119 530890523 /nfs/dbraw/zinc/89/05/23/530890523.db2.gz QCTOLKGWEDXTLJ-SECBINFHSA-N -1 3 375.378 0.889 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCCS(C)(=O)=O ZINC000425177914 530890975 /nfs/dbraw/zinc/89/09/75/530890975.db2.gz IWDHVPMWXGFXBG-UHFFFAOYSA-N -1 3 394.427 0.485 20 5 GCBDHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CN1CCOCC1 ZINC000443241711 530893343 /nfs/dbraw/zinc/89/33/43/530893343.db2.gz UJCYDFKGTJORCR-CQSZACIVSA-N -1 3 377.394 0.095 20 5 GCBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)NS(C)(=O)=O ZINC000068940750 530896145 /nfs/dbraw/zinc/89/61/45/530896145.db2.gz IGKRYBUTKZSYKB-UHFFFAOYSA-N -1 3 381.432 0.210 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000467046890 530913603 /nfs/dbraw/zinc/91/36/03/530913603.db2.gz PFGUBNFSKPCQEU-NXEZZACHSA-N -1 3 397.500 0.961 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCN(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000467075988 530914691 /nfs/dbraw/zinc/91/46/91/530914691.db2.gz RXWIJCCLGDVZKH-JTQLQIEISA-N -1 3 385.427 0.782 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-]CCCN2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000467398308 530915661 /nfs/dbraw/zinc/91/56/61/530915661.db2.gz HERKKFVKRIKZHM-JTQLQIEISA-N -1 3 376.460 0.583 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(=O)NCC(F)F ZINC000281116827 530921308 /nfs/dbraw/zinc/92/13/08/530921308.db2.gz XZYYMQNDWFKTFW-UHFFFAOYSA-N -1 3 381.313 0.041 20 5 GCBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000332642586 530921626 /nfs/dbraw/zinc/92/16/26/530921626.db2.gz GNZXCWRILBOTAH-LLVKDONJSA-N -1 3 397.185 0.662 20 5 GCBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C[C@]1(O)CCSC1)OCCO2 ZINC000269779652 530925733 /nfs/dbraw/zinc/92/57/33/530925733.db2.gz HYHRGCMFRUXBAB-CYBMUJFWSA-N -1 3 376.412 0.512 20 5 GCBDHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCn1cc([N+](=O)[O-])cn1 ZINC000296448202 530962179 /nfs/dbraw/zinc/96/21/79/530962179.db2.gz WJEWCPFTIIYSLX-SECBINFHSA-N -1 3 388.324 0.595 20 5 GCBDHM CCS(=O)(=O)N(C)CCC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000507434627 530941213 /nfs/dbraw/zinc/94/12/13/530941213.db2.gz NELIKFXCVZLSKM-UHFFFAOYSA-N -1 3 379.460 0.853 20 5 GCBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCN(S(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000269846244 530948404 /nfs/dbraw/zinc/94/84/04/530948404.db2.gz DOVNAAOHOLBGKB-SNVBAGLBSA-N -1 3 393.443 0.163 20 5 GCBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCCN2S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000269864346 530950669 /nfs/dbraw/zinc/95/06/69/530950669.db2.gz KJNZIPDRQAWRLJ-SNVBAGLBSA-N -1 3 393.443 0.306 20 5 GCBDHM CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275348827 530994150 /nfs/dbraw/zinc/99/41/50/530994150.db2.gz GFYINCZWCYBBCA-MRVPVSSYSA-N -1 3 384.407 0.844 20 5 GCBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@@]2(O)CCOC2)c1 ZINC000269993244 530987238 /nfs/dbraw/zinc/98/72/38/530987238.db2.gz PMWYUBGTFVCJGA-NSHDSACASA-N -1 3 381.204 0.787 20 5 GCBDHM CN1CC[C@@](O)(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416451084 531030783 /nfs/dbraw/zinc/03/07/83/531030783.db2.gz ATDREOLIRQTUTL-GFCCVEGCSA-N -1 3 383.348 0.959 20 5 GCBDHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(N)=O ZINC000416453202 531031151 /nfs/dbraw/zinc/03/11/51/531031151.db2.gz FXCOEIYKARCKJE-QMMMGPOBSA-N -1 3 385.320 0.782 20 5 GCBDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC ZINC000056014117 531001734 /nfs/dbraw/zinc/00/17/34/531001734.db2.gz OEQLLQDACZQDFC-SECBINFHSA-N -1 3 380.762 0.631 20 5 GCBDHM CCS(=O)(=O)N(C)CCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000056057250 531002253 /nfs/dbraw/zinc/00/22/53/531002253.db2.gz VFKPGIPXZPCFCI-UHFFFAOYSA-N -1 3 379.460 0.853 20 5 GCBDHM NC(=O)C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000056052973 531002299 /nfs/dbraw/zinc/00/22/99/531002299.db2.gz JYHMIZZFMKKPEY-UHFFFAOYSA-N -1 3 377.806 0.809 20 5 GCBDHM NC(=O)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000056052972 531002537 /nfs/dbraw/zinc/00/25/37/531002537.db2.gz MIYBRUWKAQWRHF-UHFFFAOYSA-N -1 3 377.806 0.809 20 5 GCBDHM C[C@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000270278734 531037262 /nfs/dbraw/zinc/03/72/62/531037262.db2.gz YXHZPRBUZOCYPM-MRVPVSSYSA-N -1 3 380.400 0.077 20 5 GCBDHM NC(=O)[C@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736912 599125959 /nfs/dbraw/zinc/12/59/59/599125959.db2.gz MWIPDBYQBYHTAC-CYBMUJFWSA-N -1 3 386.328 0.131 20 5 GCBDHM NC(=O)[C@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736912 599125960 /nfs/dbraw/zinc/12/59/60/599125960.db2.gz MWIPDBYQBYHTAC-CYBMUJFWSA-N -1 3 386.328 0.131 20 5 GCBDHM CC(C)(C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)n1cc([N+](=O)[O-])cn1 ZINC000735574546 599215244 /nfs/dbraw/zinc/21/52/44/599215244.db2.gz IEKMWOWYQAQYBJ-UHFFFAOYSA-N -1 3 386.372 0.902 20 5 GCBDHM CC(C)c1n[nH]c(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1[N+](=O)[O-] ZINC000820183487 607349290 /nfs/dbraw/zinc/34/92/90/607349290.db2.gz FNSMZLVEQUTRJO-UHFFFAOYSA-N -1 3 386.376 0.858 20 5 GCBDHM CC(C)c1n[nH]c(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1[N+](=O)[O-] ZINC000820183487 607349293 /nfs/dbraw/zinc/34/92/93/607349293.db2.gz FNSMZLVEQUTRJO-UHFFFAOYSA-N -1 3 386.376 0.858 20 5 GCBDHM CN(CCc1ccccn1)C(=O)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736806001 598458779 /nfs/dbraw/zinc/45/87/79/598458779.db2.gz LJYWKCGGFYQXHL-UHFFFAOYSA-N -1 3 383.372 0.678 20 5 GCBDHM CN(CCc1ccccn1)C(=O)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736806001 598458781 /nfs/dbraw/zinc/45/87/81/598458781.db2.gz LJYWKCGGFYQXHL-UHFFFAOYSA-N -1 3 383.372 0.678 20 5 GCBDHM Cn1ccnc1CN1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000737615734 598502692 /nfs/dbraw/zinc/50/26/92/598502692.db2.gz LADUVYMWQDGIMH-UHFFFAOYSA-N -1 3 384.404 0.616 20 5 GCBDHM Cn1ccnc1CN1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000737615734 598502694 /nfs/dbraw/zinc/50/26/94/598502694.db2.gz LADUVYMWQDGIMH-UHFFFAOYSA-N -1 3 384.404 0.616 20 5 GCBDHM CS(=O)(=O)CCN1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000737162025 598592211 /nfs/dbraw/zinc/59/22/11/598592211.db2.gz HKANGIJMOKBRGX-UHFFFAOYSA-N -1 3 395.445 0.696 20 5 GCBDHM CS(=O)(=O)CCN1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000737162025 598592212 /nfs/dbraw/zinc/59/22/12/598592212.db2.gz HKANGIJMOKBRGX-UHFFFAOYSA-N -1 3 395.445 0.696 20 5 GCBDHM O=c1ccccn1CCN1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000738378873 598673463 /nfs/dbraw/zinc/67/34/63/598673463.db2.gz APBZUBFBZBVIRP-UHFFFAOYSA-N -1 3 396.411 0.759 20 5 GCBDHM O=c1ccccn1CCN1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000738378873 598673465 /nfs/dbraw/zinc/67/34/65/598673465.db2.gz APBZUBFBZBVIRP-UHFFFAOYSA-N -1 3 396.411 0.759 20 5 GCBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(S(N)(=O)=O)c1 ZINC000820461726 599315068 /nfs/dbraw/zinc/31/50/68/599315068.db2.gz QPZHLNHQHBJUSK-QMMMGPOBSA-N -1 3 390.385 0.990 20 5 GCBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccc(S(N)(=O)=O)c1 ZINC000820461726 599315070 /nfs/dbraw/zinc/31/50/70/599315070.db2.gz QPZHLNHQHBJUSK-QMMMGPOBSA-N -1 3 390.385 0.990 20 5 GCBDHM NS(=O)(=O)c1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC000822894574 599407686 /nfs/dbraw/zinc/40/76/86/599407686.db2.gz BPGGUDGKWCNWSY-UHFFFAOYSA-N -1 3 382.387 0.491 20 5 GCBDHM NS(=O)(=O)c1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)s1 ZINC000822894574 599407690 /nfs/dbraw/zinc/40/76/90/599407690.db2.gz BPGGUDGKWCNWSY-UHFFFAOYSA-N -1 3 382.387 0.491 20 5 GCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNc1cccc(-c2nnn[n-]2)n1 ZINC000738370554 599441372 /nfs/dbraw/zinc/44/13/72/599441372.db2.gz VVQJVNOJEIYHCU-UHFFFAOYSA-N -1 3 390.385 0.560 20 5 GCBDHM Cn1ccnc1[C@@H](O)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000822698945 607387557 /nfs/dbraw/zinc/38/75/57/607387557.db2.gz JGIGZBFWGMXTAU-ZDUSSCGKSA-N -1 3 385.388 0.853 20 5 GCBDHM Cn1ccnc1[C@@H](O)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000822698945 607387559 /nfs/dbraw/zinc/38/75/59/607387559.db2.gz JGIGZBFWGMXTAU-ZDUSSCGKSA-N -1 3 385.388 0.853 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ncc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826424375 607468565 /nfs/dbraw/zinc/46/85/65/607468565.db2.gz JRWSGLPWOXVBNX-UHFFFAOYSA-N -1 3 393.323 0.519 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ncc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826424375 607468566 /nfs/dbraw/zinc/46/85/66/607468566.db2.gz JRWSGLPWOXVBNX-UHFFFAOYSA-N -1 3 393.323 0.519 20 5 GCBDHM O=[N+]([O-])c1cnc(NCCNS(=O)(=O)c2cccs2)c(-c2nnn[n-]2)c1 ZINC000826500585 607562599 /nfs/dbraw/zinc/56/25/99/607562599.db2.gz CYRQVXOHXQSPMN-UHFFFAOYSA-N -1 3 396.414 0.622 20 5 GCBDHM O=[N+]([O-])c1cnc(NCCNS(=O)(=O)c2cccs2)c(-c2nn[n-]n2)c1 ZINC000826500585 607562600 /nfs/dbraw/zinc/56/26/00/607562600.db2.gz CYRQVXOHXQSPMN-UHFFFAOYSA-N -1 3 396.414 0.622 20 5 GCBDHM C[C@@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CN1C1CC1 ZINC000824892708 607667862 /nfs/dbraw/zinc/66/78/62/607667862.db2.gz MBOALQZTJFKJPI-ZJUUUORDSA-N -1 3 393.429 0.678 20 5 GCBDHM C[C@@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CN1C1CC1 ZINC000824892708 607667863 /nfs/dbraw/zinc/66/78/63/607667863.db2.gz MBOALQZTJFKJPI-ZJUUUORDSA-N -1 3 393.429 0.678 20 5 GCBDHM C[C@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000824977522 607670856 /nfs/dbraw/zinc/67/08/56/607670856.db2.gz QTGGWWKHUHDQQN-ONGXEEELSA-N -1 3 393.429 0.536 20 5 GCBDHM C[C@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824977522 607670858 /nfs/dbraw/zinc/67/08/58/607670858.db2.gz QTGGWWKHUHDQQN-ONGXEEELSA-N -1 3 393.429 0.536 20 5 GCBDHM CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000830934544 604410024 /nfs/dbraw/zinc/41/00/24/604410024.db2.gz HFMWGYQJQWSHIL-OAHLLOKOSA-N -1 3 390.396 0.672 20 5 GCBDHM O=C(COC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000823396415 606232044 /nfs/dbraw/zinc/23/20/44/606232044.db2.gz IZKMIEGQDDPXER-UHFFFAOYSA-N -1 3 383.324 0.849 20 5 GCBDHM O=C(COC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000823396415 606232046 /nfs/dbraw/zinc/23/20/46/606232046.db2.gz IZKMIEGQDDPXER-UHFFFAOYSA-N -1 3 383.324 0.849 20 5 GCBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000822627198 606290990 /nfs/dbraw/zinc/29/09/90/606290990.db2.gz LOGOOJSCJWPDMV-NSHDSACASA-N -1 3 383.372 0.835 20 5 GCBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000822627198 606290992 /nfs/dbraw/zinc/29/09/92/606290992.db2.gz LOGOOJSCJWPDMV-NSHDSACASA-N -1 3 383.372 0.835 20 5 GCBDHM C[C@]1(C2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)NC(=O)NC1=O ZINC000820613128 606301542 /nfs/dbraw/zinc/30/15/42/606301542.db2.gz TZQOPQZJOIKZDP-MRXNPFEDSA-N -1 3 386.372 0.589 20 5 GCBDHM C[C@]1(C2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)NC(=O)NC1=O ZINC000820613128 606301544 /nfs/dbraw/zinc/30/15/44/606301544.db2.gz TZQOPQZJOIKZDP-MRXNPFEDSA-N -1 3 386.372 0.589 20 5 GCBDHM CN(C(=O)COC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc([N+](=O)[O-])cc1 ZINC000821570565 606382725 /nfs/dbraw/zinc/38/27/25/606382725.db2.gz APIZQYVFFYOXDV-UHFFFAOYSA-N -1 3 385.340 0.933 20 5 GCBDHM CN(C(=O)COC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc([N+](=O)[O-])cc1 ZINC000821570565 606382726 /nfs/dbraw/zinc/38/27/26/606382726.db2.gz APIZQYVFFYOXDV-UHFFFAOYSA-N -1 3 385.340 0.933 20 5 GCBDHM CN1C(=O)N[C@]2(CCC[C@H]2CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1=O ZINC000821620287 606422563 /nfs/dbraw/zinc/42/25/63/606422563.db2.gz DORREBIRMLGIEB-QFYYESIMSA-N -1 3 386.372 0.907 20 5 GCBDHM CN1C(=O)N[C@]2(CCC[C@H]2CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1=O ZINC000821620287 606422565 /nfs/dbraw/zinc/42/25/65/606422565.db2.gz DORREBIRMLGIEB-QFYYESIMSA-N -1 3 386.372 0.907 20 5 GCBDHM C[C@]1([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)NC(=O)NC1=O ZINC000820612685 606434060 /nfs/dbraw/zinc/43/40/60/606434060.db2.gz HJZONDBFXROLNU-JDNHERCYSA-N -1 3 386.372 0.589 20 5 GCBDHM C[C@]1([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)NC(=O)NC1=O ZINC000820612685 606434063 /nfs/dbraw/zinc/43/40/63/606434063.db2.gz HJZONDBFXROLNU-JDNHERCYSA-N -1 3 386.372 0.589 20 5 GCBDHM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820768761 606472505 /nfs/dbraw/zinc/47/25/05/606472505.db2.gz PIIZJKYNTTYWGA-LDYMZIIASA-N -1 3 382.406 0.252 20 5 GCBDHM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820768761 606472507 /nfs/dbraw/zinc/47/25/07/606472507.db2.gz PIIZJKYNTTYWGA-LDYMZIIASA-N -1 3 382.406 0.252 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823118679 606594840 /nfs/dbraw/zinc/59/48/40/606594840.db2.gz LSEANQKDFIHYDV-UHFFFAOYSA-N -1 3 397.399 0.757 20 5 GCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823118679 606594842 /nfs/dbraw/zinc/59/48/42/606594842.db2.gz LSEANQKDFIHYDV-UHFFFAOYSA-N -1 3 397.399 0.757 20 5 GCBDHM COc1ccnc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)c1 ZINC000821903470 606707756 /nfs/dbraw/zinc/70/77/56/606707756.db2.gz GWCNBKRMLHOZTQ-UHFFFAOYSA-N -1 3 383.372 0.900 20 5 GCBDHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821932899 606807948 /nfs/dbraw/zinc/80/79/48/606807948.db2.gz TXOUPFHTSHJHQG-JOYOIKCWSA-N -1 3 381.418 0.905 20 5 GCBDHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821932899 606807949 /nfs/dbraw/zinc/80/79/49/606807949.db2.gz TXOUPFHTSHJHQG-JOYOIKCWSA-N -1 3 381.418 0.905 20 5 GCBDHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821932432 606807954 /nfs/dbraw/zinc/80/79/54/606807954.db2.gz MDUFGMQSXDHJGE-QWRGUYRKSA-N -1 3 381.418 0.905 20 5 GCBDHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821932432 606807955 /nfs/dbraw/zinc/80/79/55/606807955.db2.gz MDUFGMQSXDHJGE-QWRGUYRKSA-N -1 3 381.418 0.905 20 5 GCBDHM Cc1cccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)c1-c1nnn[n-]1 ZINC000822319188 607184627 /nfs/dbraw/zinc/18/46/27/607184627.db2.gz LWKRLWVQLZAPRC-UHFFFAOYSA-N -1 3 385.344 0.035 20 5 GCBDHM Cc1cccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)c1-c1nn[n-]n1 ZINC000822319188 607184628 /nfs/dbraw/zinc/18/46/28/607184628.db2.gz LWKRLWVQLZAPRC-UHFFFAOYSA-N -1 3 385.344 0.035 20 5 GCBDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000819996920 607193188 /nfs/dbraw/zinc/19/31/88/607193188.db2.gz NQZUPMKEDNVOAL-UHFFFAOYSA-N -1 3 386.372 0.945 20 5 GCBDHM CN(CCN1C(=O)c2ccccc2C1=O)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825937678 607820753 /nfs/dbraw/zinc/82/07/53/607820753.db2.gz HNUOKSSIPVOMGS-UHFFFAOYSA-N -1 3 394.351 0.902 20 5 GCBDHM CN(CCN1C(=O)c2ccccc2C1=O)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825937678 607820754 /nfs/dbraw/zinc/82/07/54/607820754.db2.gz HNUOKSSIPVOMGS-UHFFFAOYSA-N -1 3 394.351 0.902 20 5 GCBDHM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCN(C3CC3)C2)c1-c1nnn[n-]1 ZINC000826500403 607852699 /nfs/dbraw/zinc/85/26/99/607852699.db2.gz XNBCGDRAVMJFBX-SECBINFHSA-N -1 3 379.402 0.290 20 5 GCBDHM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCN(C3CC3)C2)c1-c1nn[n-]n1 ZINC000826500403 607852700 /nfs/dbraw/zinc/85/27/00/607852700.db2.gz XNBCGDRAVMJFBX-SECBINFHSA-N -1 3 379.402 0.290 20 5 GCBDHM CCOc1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000825609366 607871752 /nfs/dbraw/zinc/87/17/52/607871752.db2.gz LJYVPKNYXNAMTI-LBPRGKRZSA-N -1 3 375.345 0.810 20 5 GCBDHM CCOc1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000825609366 607871753 /nfs/dbraw/zinc/87/17/53/607871753.db2.gz LJYVPKNYXNAMTI-LBPRGKRZSA-N -1 3 375.345 0.810 20 5 GCBDHM CCn1cc(S(=O)(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c([N+](=O)[O-])n1 ZINC000825804975 607933322 /nfs/dbraw/zinc/93/33/22/607933322.db2.gz MPGMRCNMADIDMY-UHFFFAOYSA-N -1 3 390.385 0.743 20 5 GCBDHM CCn1cc(S(=O)(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c([N+](=O)[O-])n1 ZINC000825804975 607933323 /nfs/dbraw/zinc/93/33/23/607933323.db2.gz MPGMRCNMADIDMY-UHFFFAOYSA-N -1 3 390.385 0.743 20 5 GCBDHM O=c1ccc([N+](=O)[O-])cn1CCN1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826502091 608061598 /nfs/dbraw/zinc/06/15/98/608061598.db2.gz UNDBKWFWOWEQCA-UHFFFAOYSA-N -1 3 397.399 0.154 20 5 GCBDHM O=c1ccc([N+](=O)[O-])cn1CCN1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826502091 608061599 /nfs/dbraw/zinc/06/15/99/608061599.db2.gz UNDBKWFWOWEQCA-UHFFFAOYSA-N -1 3 397.399 0.154 20 5 GCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826327767 608081870 /nfs/dbraw/zinc/08/18/70/608081870.db2.gz UJHGHJPPQUZORF-AWEZNQCLSA-N -1 3 398.383 0.880 20 5 GCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826327767 608081871 /nfs/dbraw/zinc/08/18/71/608081871.db2.gz UJHGHJPPQUZORF-AWEZNQCLSA-N -1 3 398.383 0.880 20 5 GCBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000825793304 608180903 /nfs/dbraw/zinc/18/09/03/608180903.db2.gz PVPGTQHKXHTWCV-UHFFFAOYSA-N -1 3 382.344 0.980 20 5 GCBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000825793304 608180904 /nfs/dbraw/zinc/18/09/04/608180904.db2.gz PVPGTQHKXHTWCV-UHFFFAOYSA-N -1 3 382.344 0.980 20 5 GCBDHM Cn1cc([N+](=O)[O-])c(C(=O)O[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000826362769 608255869 /nfs/dbraw/zinc/25/58/69/608255869.db2.gz IAIYNPCFKXQPNB-LBPRGKRZSA-N -1 3 398.339 0.471 20 5 GCBDHM Cn1cc([N+](=O)[O-])c(C(=O)O[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000826362769 608255871 /nfs/dbraw/zinc/25/58/71/608255871.db2.gz IAIYNPCFKXQPNB-LBPRGKRZSA-N -1 3 398.339 0.471 20 5 GCBDHM COC(=O)[C@@H](OC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826117373 608375700 /nfs/dbraw/zinc/37/57/00/608375700.db2.gz KKASOIVMDIQQIP-LBPRGKRZSA-N -1 3 387.312 0.580 20 5 GCBDHM COC(=O)[C@@H](OC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826117373 608375701 /nfs/dbraw/zinc/37/57/01/608375701.db2.gz KKASOIVMDIQQIP-LBPRGKRZSA-N -1 3 387.312 0.580 20 5 GCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826425419 608482730 /nfs/dbraw/zinc/48/27/30/608482730.db2.gz CHSPVMFSJWLCLH-UHFFFAOYSA-N -1 3 381.356 0.682 20 5 GCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826425419 608482731 /nfs/dbraw/zinc/48/27/31/608482731.db2.gz CHSPVMFSJWLCLH-UHFFFAOYSA-N -1 3 381.356 0.682 20 5 GCBDHM CCc1nn(C)c(N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c1[N+](=O)[O-] ZINC000825759419 608771476 /nfs/dbraw/zinc/77/14/76/608771476.db2.gz GDMNKFWZQBMXFQ-UHFFFAOYSA-N -1 3 384.404 0.792 20 5 GCBDHM CCc1nn(C)c(N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c1[N+](=O)[O-] ZINC000825759419 608771477 /nfs/dbraw/zinc/77/14/77/608771477.db2.gz GDMNKFWZQBMXFQ-UHFFFAOYSA-N -1 3 384.404 0.792 20 5 GCBDHM Cn1cnnc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000917876580 639859425 /nfs/dbraw/zinc/85/94/25/639859425.db2.gz XXOJZMMDZBDTOQ-UHFFFAOYSA-N -1 3 376.192 0.964 20 5 GCBDHM 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ZINC000030008856 530774457 /nfs/dbraw/zinc/77/44/57/530774457.db2.gz WBUSNJVNCJHSOI-UHFFFAOYSA-N -1 3 397.862 0.951 20 5 GCBDHM CC[C@@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000295664645 530777619 /nfs/dbraw/zinc/77/76/19/530777619.db2.gz GOOKWAIGDJRSNL-VIFPVBQESA-N -1 3 381.432 0.210 20 5 GCBDHM CC[C@@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000295717382 530781689 /nfs/dbraw/zinc/78/16/89/530781689.db2.gz LIXGWTOCKVGOPZ-QMMMGPOBSA-N -1 3 399.422 0.349 20 5 GCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCS(=O)(=O)NCC1CCC1 ZINC000068938722 530794860 /nfs/dbraw/zinc/79/48/60/530794860.db2.gz QTAFOIZBAVXSKM-UHFFFAOYSA-N -1 3 377.444 0.593 20 5 GCBDHM CN(CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)S(C)(=O)=O ZINC000056054927 530814220 /nfs/dbraw/zinc/81/42/20/530814220.db2.gz YOIJBAFNTZOQSG-UHFFFAOYSA-N -1 3 385.851 0.808 20 5 GCBDHM O=C1[N-]C(=O)C2(CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)N1 ZINC000327329263 530825642 /nfs/dbraw/zinc/82/56/42/530825642.db2.gz CDZJWBMBVRTTOM-UHFFFAOYSA-N -1 3 388.789 0.611 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](CO)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000416609367 530847285 /nfs/dbraw/zinc/84/72/85/530847285.db2.gz MLOBXXSVTZTVKD-SKDRFNHKSA-N -1 3 378.378 0.808 20 5 GCBDHM O=C1C[C@H](C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CN1 ZINC000416577815 530847714 /nfs/dbraw/zinc/84/77/14/530847714.db2.gz GEZNKHDTXFNQMY-ZETCQYMHSA-N -1 3 378.204 0.772 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]CCN2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000548369448 530867996 /nfs/dbraw/zinc/86/79/96/530867996.db2.gz BEYCSMXEWKGIPE-SNVBAGLBSA-N -1 3 377.394 0.742 20 5 GCBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCS(=O)(=O)NC(C)C)c1[N+](=O)[O-] ZINC000276778523 530911441 /nfs/dbraw/zinc/91/14/41/530911441.db2.gz HXZFVVHAKSCZNM-UHFFFAOYSA-N -1 3 379.460 0.818 20 5 GCBDHM C[C@@H](C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)S(C)(=O)=O ZINC000533149812 530900175 /nfs/dbraw/zinc/90/01/75/530900175.db2.gz QRHYGIQXJZVJPR-QMMMGPOBSA-N -1 3 380.400 0.077 20 5 GCBDHM CS(=O)(=O)N[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000463221929 530904561 /nfs/dbraw/zinc/90/45/61/530904561.db2.gz MPUODLGXYABUKS-WDEREUQCSA-N -1 3 377.444 0.734 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](C(N)=O)O2)cc1[N+](=O)[O-] ZINC000275085623 530906843 /nfs/dbraw/zinc/90/68/43/530906843.db2.gz PABAKYSYGGNTTM-HQJQHLMTSA-N -1 3 377.350 0.054 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](C(N)=O)O2)cc1[N+](=O)[O-] ZINC000275085625 530907017 /nfs/dbraw/zinc/90/70/17/530907017.db2.gz PABAKYSYGGNTTM-WRWORJQWSA-N -1 3 377.350 0.054 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]CCN2CCCOCC2)cc1[N+](=O)[O-] ZINC000275429661 530908637 /nfs/dbraw/zinc/90/86/37/530908637.db2.gz FAMWTDVSBPYTQT-UHFFFAOYSA-N -1 3 377.394 0.743 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCS(=O)(=O)C1 ZINC000328260002 530909352 /nfs/dbraw/zinc/90/93/52/530909352.db2.gz CYTKFYFNIJOZNI-SECBINFHSA-N -1 3 392.411 0.094 20 5 GCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCCS1(=O)=O ZINC000328375794 530909441 /nfs/dbraw/zinc/90/94/41/530909441.db2.gz LCAPRGRLLOOYEW-SNVBAGLBSA-N -1 3 392.411 0.237 20 5 GCBDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H](C)O ZINC000275689752 530909450 /nfs/dbraw/zinc/90/94/50/530909450.db2.gz DICYFKGCCJIRSC-WKEGUHRASA-N -1 3 397.203 0.558 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CS(C)(=O)=O ZINC000276353177 530910110 /nfs/dbraw/zinc/91/01/10/530910110.db2.gz LMFJNYZEBHOIKI-QMMMGPOBSA-N -1 3 380.400 0.093 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CS(C)(=O)=O ZINC000276353175 530910390 /nfs/dbraw/zinc/91/03/90/530910390.db2.gz LMFJNYZEBHOIKI-MRVPVSSYSA-N -1 3 380.400 0.093 20 5 GCBDHM CN(C)S(=O)(=O)CC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594776246 530881353 /nfs/dbraw/zinc/88/13/53/530881353.db2.gz WSXFCUCGZIHJHO-UHFFFAOYSA-N -1 3 388.427 0.313 20 5 GCBDHM CO[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594827110 530886197 /nfs/dbraw/zinc/88/61/97/530886197.db2.gz RXOBGCKEEPMQDY-ZJUUUORDSA-N -1 3 384.819 0.339 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C)S(C)(=O)=O ZINC000527290838 530890085 /nfs/dbraw/zinc/89/00/85/530890085.db2.gz NJRKEJJZNYHQFN-QMMMGPOBSA-N -1 3 380.400 0.093 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]CCN2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000275185706 530890078 /nfs/dbraw/zinc/89/00/78/530890078.db2.gz LHQYDBINDJMGJE-UHFFFAOYSA-N -1 3 397.406 0.056 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2=O)cc1[N+](=O)[O-] ZINC000425225887 530891372 /nfs/dbraw/zinc/89/13/72/530891372.db2.gz PROQMNACPZUZFF-SECBINFHSA-N -1 3 375.334 0.168 20 5 GCBDHM C[C@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CN1CCOCC1 ZINC000443241708 530893577 /nfs/dbraw/zinc/89/35/77/530893577.db2.gz UJCYDFKGTJORCR-AWEZNQCLSA-N -1 3 377.394 0.095 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000491573250 530930644 /nfs/dbraw/zinc/93/06/44/530930644.db2.gz RFZRTOPPWRUAAG-MRVPVSSYSA-N -1 3 384.407 0.844 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000491592637 530930746 /nfs/dbraw/zinc/93/07/46/530930746.db2.gz XLHHQRBLFLGTPR-MRVPVSSYSA-N -1 3 382.391 0.598 20 5 GCBDHM CN(C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000271791661 530931242 /nfs/dbraw/zinc/93/12/42/530931242.db2.gz UWROQBNRWNLLCB-UHFFFAOYSA-N -1 3 395.235 0.907 20 5 GCBDHM Cc1nn2cc(S(=O)(=O)[N-]CCn3cc([N+](=O)[O-])cn3)cnc2c1Cl ZINC000500997441 530932317 /nfs/dbraw/zinc/93/23/17/530932317.db2.gz CGJVNDWXHQBZCB-UHFFFAOYSA-N -1 3 385.793 0.774 20 5 GCBDHM CNC(=O)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000493541983 530933403 /nfs/dbraw/zinc/93/34/03/530933403.db2.gz HNISIVVDVVKXMT-ONGXEEELSA-N -1 3 375.378 0.936 20 5 GCBDHM COc1c(S(=O)(=O)[N-][C@@H](C)C(N)=O)cc(Br)c(C)c1[N+](=O)[O-] ZINC000276947130 530912290 /nfs/dbraw/zinc/91/22/90/530912290.db2.gz TUJFTKGZACSTPW-LURJTMIESA-N -1 3 396.219 0.826 20 5 GCBDHM CC(C)(C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)S(C)(=O)=O ZINC000610511277 530912446 /nfs/dbraw/zinc/91/24/46/530912446.db2.gz ZVOKSDVEQVEFIW-UHFFFAOYSA-N -1 3 394.427 0.468 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000467059347 530914470 /nfs/dbraw/zinc/91/44/70/530914470.db2.gz TXBNMVJADMSHIO-ONGXEEELSA-N -1 3 377.444 0.879 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000467393457 530915449 /nfs/dbraw/zinc/91/54/49/530915449.db2.gz KWNOIVMPRNJWRN-VIFPVBQESA-N -1 3 383.473 0.667 20 5 GCBDHM Cc1sc(S(=O)(=O)[N-]CCS(=O)(=O)NCC2CCC2)cc1[N+](=O)[O-] ZINC000467415773 530915644 /nfs/dbraw/zinc/91/56/44/530915644.db2.gz CRMNQNXTPTYKOK-UHFFFAOYSA-N -1 3 397.500 0.963 20 5 GCBDHM CNC(=O)CN1CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000467424087 530915670 /nfs/dbraw/zinc/91/56/70/530915670.db2.gz GSKYDZKFXXLYET-UHFFFAOYSA-N -1 3 376.460 0.453 20 5 GCBDHM CSCC[C@H](O)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000449921416 530916104 /nfs/dbraw/zinc/91/61/04/530916104.db2.gz HJENWQDLKWOZLG-NSHDSACASA-N -1 3 377.444 0.103 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CCS(=O)CC1 ZINC000469352313 530919168 /nfs/dbraw/zinc/91/91/68/530919168.db2.gz ZWCZIARQPSFRQQ-UHFFFAOYSA-N -1 3 376.412 0.571 20 5 GCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CCS(C)(=O)=O ZINC000469358614 530919187 /nfs/dbraw/zinc/91/91/87/530919187.db2.gz CGDWXPFZFHEEBJ-VIFPVBQESA-N -1 3 394.427 0.483 20 5 GCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1(S(C)(=O)=O)CCC1 ZINC000280332500 530919828 /nfs/dbraw/zinc/91/98/28/530919828.db2.gz UXYXZUGLKZEZFJ-UHFFFAOYSA-N -1 3 378.428 0.849 20 5 GCBDHM O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1CCSC1 ZINC000279869562 530919915 /nfs/dbraw/zinc/91/99/15/530919915.db2.gz FXZKDGYNFXSRLF-LLVKDONJSA-N -1 3 388.471 0.925 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000280147004 530920080 /nfs/dbraw/zinc/92/00/80/530920080.db2.gz FMNRGQYFGAPSIK-UHFFFAOYSA-N -1 3 382.391 0.598 20 5 GCBDHM CS[C@H](CO)[C@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000281160884 530921456 /nfs/dbraw/zinc/92/14/56/530921456.db2.gz IDDFTKNXYHYHFV-GXSJLCMTSA-N -1 3 377.444 0.102 20 5 GCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](CO)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280949643 530921501 /nfs/dbraw/zinc/92/15/01/530921501.db2.gz KAGZVKXFKHRHHI-UWVGGRQHSA-N -1 3 378.378 0.666 20 5 GCBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2CC(C(N)=O)=NO2)cc1[N+](=O)[O-] ZINC000281570544 530922448 /nfs/dbraw/zinc/92/24/48/530922448.db2.gz VMEIULMGIXCFSL-SSDOTTSWSA-N -1 3 376.778 0.465 20 5 GCBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000619478848 530924296 /nfs/dbraw/zinc/92/42/96/530924296.db2.gz YWJDSWBLDIEPNJ-SNVBAGLBSA-N -1 3 393.443 0.306 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2COC3(CCOCC3)O2)c(F)c1 ZINC000272056234 530946470 /nfs/dbraw/zinc/94/64/70/530946470.db2.gz ODCHHLUPXNZACT-NSHDSACASA-N -1 3 376.362 0.934 20 5 GCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCN(S(C)(=O)=O)C2)c1C ZINC000269882419 530979293 /nfs/dbraw/zinc/97/92/93/530979293.db2.gz SLCVCLCRJHOKLK-GFCCVEGCSA-N -1 3 391.471 0.771 20 5 GCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000269902759 530987460 /nfs/dbraw/zinc/98/74/60/530987460.db2.gz ZQIPPOFBISARGB-NSHDSACASA-N -1 3 377.444 0.463 20 5 GCBDHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](C)O ZINC000416465777 531031507 /nfs/dbraw/zinc/03/15/07/531031507.db2.gz MWVYRQPGBYRALR-QUBYGPBYSA-N -1 3 386.304 0.814 20 5 GCBDHM CCN(CCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])S(C)(=O)=O ZINC000055284933 530999907 /nfs/dbraw/zinc/99/99/07/530999907.db2.gz XBWVEDSQPWEGAI-UHFFFAOYSA-N -1 3 379.460 0.853 20 5 GCBDHM COCCNC(=O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416378656 531000753 /nfs/dbraw/zinc/00/07/53/531000753.db2.gz SNSZSRLBDFTOCQ-UHFFFAOYSA-N -1 3 385.320 0.655 20 5 GCBDHM NS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000055947858 531001757 /nfs/dbraw/zinc/00/17/57/531001757.db2.gz ZPZBRGOMQCGMJF-UHFFFAOYSA-N -1 3 389.386 0.860 20 5 GCBDHM CN1C(=O)C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000416481768 531037917 /nfs/dbraw/zinc/03/79/17/531037917.db2.gz VYMCRVCJRMGNBP-ZETCQYMHSA-N -1 3 381.288 0.649 20 5 GCBDHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000487406238 531042808 /nfs/dbraw/zinc/04/28/08/531042808.db2.gz XZEHGBUKDVYMQB-YUMQZZPRSA-N -1 3 393.443 0.699 20 5 GCBDHM NC(=O)[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736025 599098721 /nfs/dbraw/zinc/09/87/21/599098721.db2.gz GTFMQRDGLOCXNB-HNNXBMFYSA-N -1 3 383.368 0.970 20 5 GCBDHM CCc1nsc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)n1 ZINC000821558900 599099309 /nfs/dbraw/zinc/09/93/09/599099309.db2.gz JZNOATJISULRCB-UHFFFAOYSA-N -1 3 388.417 0.910 20 5 GCBDHM CCc1nsc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)n1 ZINC000821558900 599099312 /nfs/dbraw/zinc/09/93/12/599099312.db2.gz JZNOATJISULRCB-UHFFFAOYSA-N -1 3 388.417 0.910 20 5 GCBDHM NC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(-c2nnn[n-]2)cc1 ZINC000737741910 599109617 /nfs/dbraw/zinc/10/96/17/599109617.db2.gz QPIOUIUMQKGOJA-CYBMUJFWSA-N -1 3 383.324 0.741 20 5 GCBDHM NC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(-c2nn[n-]n2)cc1 ZINC000737741910 599109620 /nfs/dbraw/zinc/10/96/20/599109620.db2.gz QPIOUIUMQKGOJA-CYBMUJFWSA-N -1 3 383.324 0.741 20 5 GCBDHM Cc1nc(NC(=O)c2ccc([N+](=O)[O-])n2C)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737482539 599201374 /nfs/dbraw/zinc/20/13/74/599201374.db2.gz OGOXKBAVAXMAMM-UHFFFAOYSA-N -1 3 394.355 0.677 20 5 GCBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCS(=O)(=O)C3)cc(-c3nnn[n-]3)c2c1 ZINC000738367220 599258390 /nfs/dbraw/zinc/25/83/90/599258390.db2.gz NWGCOCXRHGSGQQ-QMMMGPOBSA-N -1 3 375.370 0.922 20 5 GCBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCS(=O)(=O)C3)cc(-c3nn[n-]n3)c2c1 ZINC000738367220 599258392 /nfs/dbraw/zinc/25/83/92/599258392.db2.gz NWGCOCXRHGSGQQ-QMMMGPOBSA-N -1 3 375.370 0.922 20 5 GCBDHM O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823139937 607297440 /nfs/dbraw/zinc/29/74/40/607297440.db2.gz OAHMSBBVJIYCQE-CABCVRRESA-N -1 3 384.352 0.599 20 5 GCBDHM O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823139937 607297441 /nfs/dbraw/zinc/29/74/41/607297441.db2.gz OAHMSBBVJIYCQE-CABCVRRESA-N -1 3 384.352 0.599 20 5 GCBDHM O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1sccc1-c1nnn[n-]1 ZINC000823140142 607297754 /nfs/dbraw/zinc/29/77/54/607297754.db2.gz PHUSCGIFSYUNHO-RYUDHWBXSA-N -1 3 390.381 0.661 20 5 GCBDHM O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1sccc1-c1nn[n-]n1 ZINC000823140142 607297755 /nfs/dbraw/zinc/29/77/55/607297755.db2.gz PHUSCGIFSYUNHO-RYUDHWBXSA-N -1 3 390.381 0.661 20 5 GCBDHM NC(=O)c1ccc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cc1 ZINC000737760016 599269964 /nfs/dbraw/zinc/26/99/64/599269964.db2.gz NCYZFVRAVXAUFL-UHFFFAOYSA-N -1 3 395.383 0.595 20 5 GCBDHM NC(=O)c1ccc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)cc1 ZINC000737760016 599269965 /nfs/dbraw/zinc/26/99/65/599269965.db2.gz NCYZFVRAVXAUFL-UHFFFAOYSA-N -1 3 395.383 0.595 20 5 GCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737989472 598238481 /nfs/dbraw/zinc/23/84/81/598238481.db2.gz YXAUSNOFAIKQEU-UHFFFAOYSA-N -1 3 399.371 0.436 20 5 GCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737989472 598238483 /nfs/dbraw/zinc/23/84/83/598238483.db2.gz YXAUSNOFAIKQEU-UHFFFAOYSA-N -1 3 399.371 0.436 20 5 GCBDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000737890772 598404094 /nfs/dbraw/zinc/40/40/94/598404094.db2.gz YDKCVLGFEQHLCY-UHFFFAOYSA-N -1 3 381.352 0.821 20 5 GCBDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000737890772 598404096 /nfs/dbraw/zinc/40/40/96/598404096.db2.gz YDKCVLGFEQHLCY-UHFFFAOYSA-N -1 3 381.352 0.821 20 5 GCBDHM Nc1nc(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)ncc1[N+](=O)[O-] ZINC000737776235 598459559 /nfs/dbraw/zinc/45/95/59/598459559.db2.gz LJPJTXDXGHKHNY-UHFFFAOYSA-N -1 3 383.376 0.623 20 5 GCBDHM Nc1nc(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)ncc1[N+](=O)[O-] ZINC000737776235 598459561 /nfs/dbraw/zinc/45/95/61/598459561.db2.gz LJPJTXDXGHKHNY-UHFFFAOYSA-N -1 3 383.376 0.623 20 5 GCBDHM CC(=O)N1CCN(C(=O)CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000735466626 598466956 /nfs/dbraw/zinc/46/69/56/598466956.db2.gz VQRBWRQFXMMLIN-UHFFFAOYSA-N -1 3 388.388 0.268 20 5 GCBDHM CC(=O)N1CCN(C(=O)CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000735466626 598466957 /nfs/dbraw/zinc/46/69/57/598466957.db2.gz VQRBWRQFXMMLIN-UHFFFAOYSA-N -1 3 388.388 0.268 20 5 GCBDHM COC(=O)c1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC000736948619 598470695 /nfs/dbraw/zinc/47/06/95/598470695.db2.gz KIOMFTNBLCCRGG-UHFFFAOYSA-N -1 3 395.309 0.922 20 5 GCBDHM COC(=O)c1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC000736948619 598470696 /nfs/dbraw/zinc/47/06/96/598470696.db2.gz KIOMFTNBLCCRGG-UHFFFAOYSA-N -1 3 395.309 0.922 20 5 GCBDHM NS(=O)(=O)c1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737769828 598498067 /nfs/dbraw/zinc/49/80/67/598498067.db2.gz ODPDDXZPRIHJSA-UHFFFAOYSA-N -1 3 376.358 0.429 20 5 GCBDHM NS(=O)(=O)c1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737769828 598498069 /nfs/dbraw/zinc/49/80/69/598498069.db2.gz ODPDDXZPRIHJSA-UHFFFAOYSA-N -1 3 376.358 0.429 20 5 GCBDHM Cc1nn(C)c(C)c1CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000737511413 598502508 /nfs/dbraw/zinc/50/25/08/598502508.db2.gz KQJJIFUBQDXDTL-UHFFFAOYSA-N -1 3 398.431 0.842 20 5 GCBDHM Cc1nn(C)c(C)c1CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000737511413 598502510 /nfs/dbraw/zinc/50/25/10/598502510.db2.gz KQJJIFUBQDXDTL-UHFFFAOYSA-N -1 3 398.431 0.842 20 5 GCBDHM Cc1cc(C(=O)NCCNc2ncccc2-c2nnn[n-]2)c(N)c([N+](=O)[O-])c1 ZINC000737236570 598510711 /nfs/dbraw/zinc/51/07/11/598510711.db2.gz NPUQRWMUJHEQQV-UHFFFAOYSA-N -1 3 383.372 0.902 20 5 GCBDHM Cc1cc(C(=O)NCCNc2ncccc2-c2nn[n-]n2)c(N)c([N+](=O)[O-])c1 ZINC000737236570 598510713 /nfs/dbraw/zinc/51/07/13/598510713.db2.gz NPUQRWMUJHEQQV-UHFFFAOYSA-N -1 3 383.372 0.902 20 5 GCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCS(=O)(=O)NCC1CCC1 ZINC000738358622 598592607 /nfs/dbraw/zinc/59/26/07/598592607.db2.gz NQKSFBRICFVEQF-UHFFFAOYSA-N -1 3 381.418 0.906 20 5 GCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCS(=O)(=O)NCC1CCC1 ZINC000738358622 598592609 /nfs/dbraw/zinc/59/26/09/598592609.db2.gz NQKSFBRICFVEQF-UHFFFAOYSA-N -1 3 381.418 0.906 20 5 GCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737989462 598807049 /nfs/dbraw/zinc/80/70/49/598807049.db2.gz YRSRMIWSSWTTAB-UHFFFAOYSA-N -1 3 381.316 0.191 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)NCCNCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000823645087 599418416 /nfs/dbraw/zinc/41/84/16/599418416.db2.gz NOKITEDSMKHNDY-UHFFFAOYSA-N -1 3 393.385 0.436 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)NCCNCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000823645087 599418419 /nfs/dbraw/zinc/41/84/19/599418419.db2.gz NOKITEDSMKHNDY-UHFFFAOYSA-N -1 3 393.385 0.436 20 5 GCBDHM CCS(=O)(=O)NCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821440754 599516388 /nfs/dbraw/zinc/51/63/88/599516388.db2.gz BJFZQGGAJLKIGH-UHFFFAOYSA-N -1 3 392.401 0.674 20 5 GCBDHM CCS(=O)(=O)NCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821440754 599516389 /nfs/dbraw/zinc/51/63/89/599516389.db2.gz BJFZQGGAJLKIGH-UHFFFAOYSA-N -1 3 392.401 0.674 20 5 GCBDHM O=C1CNC(=O)N1CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000823535899 599556049 /nfs/dbraw/zinc/55/60/49/599556049.db2.gz LPADQANIHIVICK-UHFFFAOYSA-N -1 3 383.328 0.287 20 5 GCBDHM O=C1CNC(=O)N1CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000823535899 599556051 /nfs/dbraw/zinc/55/60/51/599556051.db2.gz LPADQANIHIVICK-UHFFFAOYSA-N -1 3 383.328 0.287 20 5 GCBDHM COc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1-c1nnn[n-]1 ZINC000826197517 607583142 /nfs/dbraw/zinc/58/31/42/607583142.db2.gz RXRYRGIXDUAGQP-UHFFFAOYSA-N -1 3 385.340 0.262 20 5 GCBDHM COc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1-c1nn[n-]n1 ZINC000826197517 607583143 /nfs/dbraw/zinc/58/31/43/607583143.db2.gz RXRYRGIXDUAGQP-UHFFFAOYSA-N -1 3 385.340 0.262 20 5 GCBDHM C[C@@H]1CCCCN1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000824936601 607588057 /nfs/dbraw/zinc/58/80/57/607588057.db2.gz KCWJKZGAYGCSNF-LLVKDONJSA-N -1 3 395.445 0.928 20 5 GCBDHM CN(C)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1 ZINC000825855031 607613632 /nfs/dbraw/zinc/61/36/32/607613632.db2.gz GFRAJIRELUIQHX-JTQLQIEISA-N -1 3 381.418 0.490 20 5 GCBDHM C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000824999193 607614852 /nfs/dbraw/zinc/61/48/52/607614852.db2.gz DLEXJPUMIQGEIJ-WDEREUQCSA-N -1 3 393.429 0.632 20 5 GCBDHM CCN1C[C@H](C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1 ZINC000825443517 607654226 /nfs/dbraw/zinc/65/42/26/607654226.db2.gz CWOHBCNDESZHCS-VHSXEESVSA-N -1 3 381.418 0.393 20 5 GCBDHM C[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CN1C1CC1 ZINC000824892706 607667306 /nfs/dbraw/zinc/66/73/06/607667306.db2.gz MBOALQZTJFKJPI-UWVGGRQHSA-N -1 3 393.429 0.678 20 5 GCBDHM C[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CN1C1CC1 ZINC000824892706 607667308 /nfs/dbraw/zinc/66/73/08/607667308.db2.gz MBOALQZTJFKJPI-UWVGGRQHSA-N -1 3 393.429 0.678 20 5 GCBDHM C[C@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CN1C1CC1 ZINC000824892707 607667346 /nfs/dbraw/zinc/66/73/46/607667346.db2.gz MBOALQZTJFKJPI-VHSXEESVSA-N -1 3 393.429 0.678 20 5 GCBDHM C[C@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CN1C1CC1 ZINC000824892707 607667348 /nfs/dbraw/zinc/66/73/48/607667348.db2.gz MBOALQZTJFKJPI-VHSXEESVSA-N -1 3 393.429 0.678 20 5 GCBDHM CC(C)N1C(=O)N[C@]2(CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)C1=O ZINC000824295891 607674753 /nfs/dbraw/zinc/67/47/53/607674753.db2.gz BGLOOASZICFNED-INIZCTEOSA-N -1 3 386.372 0.684 20 5 GCBDHM CC(C)N1C(=O)N[C@]2(CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)C1=O ZINC000824295891 607674754 /nfs/dbraw/zinc/67/47/54/607674754.db2.gz BGLOOASZICFNED-INIZCTEOSA-N -1 3 386.372 0.684 20 5 GCBDHM CC(C)N1C(=O)N[C@@]2(CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)C1=O ZINC000824295963 607675017 /nfs/dbraw/zinc/67/50/17/607675017.db2.gz BYZQISUQBYLRPK-OAHLLOKOSA-N -1 3 387.360 0.079 20 5 GCBDHM CC(C)N1C(=O)N[C@@]2(CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)C1=O ZINC000824295963 607675018 /nfs/dbraw/zinc/67/50/18/607675018.db2.gz BYZQISUQBYLRPK-OAHLLOKOSA-N -1 3 387.360 0.079 20 5 GCBDHM COC(=O)[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000833706481 605393277 /nfs/dbraw/zinc/39/32/77/605393277.db2.gz HGWNRJNYDCDGBP-YRGRVCCFSA-N -1 3 382.369 0.673 20 5 GCBDHM COC(=O)[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000833707903 605696179 /nfs/dbraw/zinc/69/61/79/605696179.db2.gz NGDGXCMNVXDOSA-ZLDLUXBVSA-N -1 3 382.369 0.673 20 5 GCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823136422 606115167 /nfs/dbraw/zinc/11/51/67/606115167.db2.gz ZOWQDEAWPZYCSP-UHFFFAOYSA-N -1 3 398.387 0.152 20 5 GCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823136422 606115170 /nfs/dbraw/zinc/11/51/70/606115170.db2.gz ZOWQDEAWPZYCSP-UHFFFAOYSA-N -1 3 398.387 0.152 20 5 GCBDHM CN1C(=O)N[C@@]2(CCC[C@@H]2CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1=O ZINC000821620232 606422188 /nfs/dbraw/zinc/42/21/88/606422188.db2.gz CPNACGSFCVEVTG-ANRSDYALSA-N -1 3 387.360 0.302 20 5 GCBDHM CN1C(=O)N[C@@]2(CCC[C@@H]2CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1=O ZINC000821620232 606422190 /nfs/dbraw/zinc/42/21/90/606422190.db2.gz CPNACGSFCVEVTG-ANRSDYALSA-N -1 3 387.360 0.302 20 5 GCBDHM CNC(=O)CCOC1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000821633056 606427353 /nfs/dbraw/zinc/42/73/53/606427353.db2.gz WHDXGULIPLFMJW-UHFFFAOYSA-N -1 3 376.377 0.291 20 5 GCBDHM CNC(=O)CCOC1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000821633056 606427355 /nfs/dbraw/zinc/42/73/55/606427355.db2.gz WHDXGULIPLFMJW-UHFFFAOYSA-N -1 3 376.377 0.291 20 5 GCBDHM C[C@@]1([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)NC(=O)NC1=O ZINC000820612682 606434310 /nfs/dbraw/zinc/43/43/10/606434310.db2.gz HJZONDBFXROLNU-FVMDXXJSSA-N -1 3 386.372 0.589 20 5 GCBDHM C[C@@]1([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)NC(=O)NC1=O ZINC000820612682 606434312 /nfs/dbraw/zinc/43/43/12/606434312.db2.gz HJZONDBFXROLNU-FVMDXXJSSA-N -1 3 386.372 0.589 20 5 GCBDHM CC[C@@H](C)NC(=O)CN1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000820875849 606644737 /nfs/dbraw/zinc/64/47/37/606644737.db2.gz HIZXHTKPMJDDDB-GFCCVEGCSA-N -1 3 388.432 0.812 20 5 GCBDHM CC[C@@H](C)NC(=O)CN1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000820875849 606644738 /nfs/dbraw/zinc/64/47/38/606644738.db2.gz HIZXHTKPMJDDDB-GFCCVEGCSA-N -1 3 388.432 0.812 20 5 GCBDHM Cc1nn(C)c(C)c1CN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000822492499 606708913 /nfs/dbraw/zinc/70/89/13/606708913.db2.gz ZAQCSAQRBQCBRC-UHFFFAOYSA-N -1 3 398.431 0.842 20 5 GCBDHM Cc1nn(C)c(C)c1CN1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000822492499 606708914 /nfs/dbraw/zinc/70/89/14/606708914.db2.gz ZAQCSAQRBQCBRC-UHFFFAOYSA-N -1 3 398.431 0.842 20 5 GCBDHM C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000820750935 606734225 /nfs/dbraw/zinc/73/42/25/606734225.db2.gz DOHGJNSWTFHZRM-GHMZBOCLSA-N -1 3 395.445 0.736 20 5 GCBDHM O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H](N3CC=CC3)C2)c1-c1nn[n-]n1 ZINC000823648390 606735619 /nfs/dbraw/zinc/73/56/19/606735619.db2.gz VXGRWFABWOOOTO-NSHDSACASA-N -1 3 391.413 0.410 20 5 GCBDHM O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823487667 606800619 /nfs/dbraw/zinc/80/06/19/606800619.db2.gz FKGRWKGHIJRGQB-UHFFFAOYSA-N -1 3 381.356 0.527 20 5 GCBDHM O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823487667 606800622 /nfs/dbraw/zinc/80/06/22/606800622.db2.gz FKGRWKGHIJRGQB-UHFFFAOYSA-N -1 3 381.356 0.527 20 5 GCBDHM O=C1OC[C@@H]2CN(c3cc(-c4nnn[n-]4)c4cc([N+](=O)[O-])ccc4n3)CCN12 ZINC000823550995 606882223 /nfs/dbraw/zinc/88/22/23/606882223.db2.gz ATHSJYAZKKILNE-JTQLQIEISA-N -1 3 382.340 0.964 20 5 GCBDHM O=C1OC[C@@H]2CN(c3cc(-c4nn[n-]n4)c4cc([N+](=O)[O-])ccc4n3)CCN12 ZINC000823550995 606882225 /nfs/dbraw/zinc/88/22/25/606882225.db2.gz ATHSJYAZKKILNE-JTQLQIEISA-N -1 3 382.340 0.964 20 5 GCBDHM O=[N+]([O-])c1cnn(CCNS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823651454 607231047 /nfs/dbraw/zinc/23/10/47/607231047.db2.gz KJMQXFWGFFOSEW-UHFFFAOYSA-N -1 3 378.374 0.091 20 5 GCBDHM O=[N+]([O-])c1cnn(CCNS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823651454 607231048 /nfs/dbraw/zinc/23/10/48/607231048.db2.gz KJMQXFWGFFOSEW-UHFFFAOYSA-N -1 3 378.374 0.091 20 5 GCBDHM O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000823651452 607231122 /nfs/dbraw/zinc/23/11/22/607231122.db2.gz KITLPQBVHSDVHC-UHFFFAOYSA-N -1 3 398.792 0.603 20 5 GCBDHM O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000823651452 607231123 /nfs/dbraw/zinc/23/11/23/607231123.db2.gz KITLPQBVHSDVHC-UHFFFAOYSA-N -1 3 398.792 0.603 20 5 GCBDHM O=c1ccc([N+](=O)[O-])cn1CCN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826501922 607792606 /nfs/dbraw/zinc/79/26/06/607792606.db2.gz MLFUMESYOINGKH-UHFFFAOYSA-N -1 3 397.399 0.154 20 5 GCBDHM O=c1ccc([N+](=O)[O-])cn1CCN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826501922 607792607 /nfs/dbraw/zinc/79/26/07/607792607.db2.gz MLFUMESYOINGKH-UHFFFAOYSA-N -1 3 397.399 0.154 20 5 GCBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000826417609 608057633 /nfs/dbraw/zinc/05/76/33/608057633.db2.gz XNKMUHKQAFLLHH-UHFFFAOYSA-N -1 3 386.324 0.559 20 5 GCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826424567 608085726 /nfs/dbraw/zinc/08/57/26/608085726.db2.gz RWEIKLWTWCIGCF-ZDUSSCGKSA-N -1 3 384.356 0.572 20 5 GCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826424567 608085727 /nfs/dbraw/zinc/08/57/27/608085727.db2.gz RWEIKLWTWCIGCF-ZDUSSCGKSA-N -1 3 384.356 0.572 20 5 GCBDHM CCc1nnc([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)[nH]1 ZINC000825745833 608097844 /nfs/dbraw/zinc/09/78/44/608097844.db2.gz QBPSWEDOODKMOL-SSDOTTSWSA-N -1 3 393.389 0.495 20 5 GCBDHM CCc1nnc([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[nH]1 ZINC000825745833 608097845 /nfs/dbraw/zinc/09/78/45/608097845.db2.gz QBPSWEDOODKMOL-SSDOTTSWSA-N -1 3 393.389 0.495 20 5 GCBDHM NC(=O)c1ccc(COC(=O)COc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000826393537 608143164 /nfs/dbraw/zinc/14/31/64/608143164.db2.gz WTIUZKZBSHCRJF-UHFFFAOYSA-N -1 3 398.335 0.996 20 5 GCBDHM Cn1cc([N+](=O)[O-])c(C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)n1 ZINC000826363022 608255525 /nfs/dbraw/zinc/25/55/25/608255525.db2.gz SVXGLLVAQOTOQC-UHFFFAOYSA-N -1 3 397.311 0.915 20 5 GCBDHM Cn1cc([N+](=O)[O-])c(C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)n1 ZINC000826363022 608255526 /nfs/dbraw/zinc/25/55/26/608255526.db2.gz SVXGLLVAQOTOQC-UHFFFAOYSA-N -1 3 397.311 0.915 20 5 GCBDHM Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826362629 608279259 /nfs/dbraw/zinc/27/92/59/608279259.db2.gz BJAFUTMMSLIQGB-UHFFFAOYSA-N -1 3 397.399 0.466 20 5 GCBDHM Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826362629 608279260 /nfs/dbraw/zinc/27/92/60/608279260.db2.gz BJAFUTMMSLIQGB-UHFFFAOYSA-N -1 3 397.399 0.466 20 5 GCBDHM NC(=O)c1cc([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000826392868 608293560 /nfs/dbraw/zinc/29/35/60/608293560.db2.gz QBHHGQDKIODDSX-SNVBAGLBSA-N -1 3 383.372 0.981 20 5 GCBDHM NC(=O)c1cc([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000826392868 608293561 /nfs/dbraw/zinc/29/35/61/608293561.db2.gz QBHHGQDKIODDSX-SNVBAGLBSA-N -1 3 383.372 0.981 20 5 GCBDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000826158659 608330366 /nfs/dbraw/zinc/33/03/66/608330366.db2.gz XZZYZJNYEADQHA-UHFFFAOYSA-N -1 3 386.372 0.797 20 5 GCBDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000826158659 608330367 /nfs/dbraw/zinc/33/03/67/608330367.db2.gz XZZYZJNYEADQHA-UHFFFAOYSA-N -1 3 386.372 0.797 20 5 GCBDHM C[NH2+]CCCc1[nH]nc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000826077882 609143054 /nfs/dbraw/zinc/14/30/54/609143054.db2.gz YPAATQHDXFNLLP-UHFFFAOYSA-N -1 3 387.360 0.608 20 5 GCBDHM C[NH2+]CCCc1[nH]nc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000826077882 609143056 /nfs/dbraw/zinc/14/30/56/609143056.db2.gz YPAATQHDXFNLLP-UHFFFAOYSA-N -1 3 387.360 0.608 20 5 GCBDHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826473963 609216769 /nfs/dbraw/zinc/21/67/69/609216769.db2.gz VMZVOYMBMZRJSS-UHFFFAOYSA-N -1 3 396.367 0.701 20 5 GCBDHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826473963 609216771 /nfs/dbraw/zinc/21/67/71/609216771.db2.gz VMZVOYMBMZRJSS-UHFFFAOYSA-N -1 3 396.367 0.701 20 5 GCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826425518 609292864 /nfs/dbraw/zinc/29/28/64/609292864.db2.gz HVRBQXIBIUWMKK-UHFFFAOYSA-N -1 3 399.306 0.330 20 5 GCBDHM O=C(c1ccc(=O)[nH]c1)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000826472542 609428829 /nfs/dbraw/zinc/42/88/29/609428829.db2.gz NVHNQQMSCBBUNB-UHFFFAOYSA-N -1 3 397.355 0.233 20 5 GCBDHM O=C(c1ccc(=O)[nH]c1)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000826472542 609428832 /nfs/dbraw/zinc/42/88/32/609428832.db2.gz NVHNQQMSCBBUNB-UHFFFAOYSA-N -1 3 397.355 0.233 20 5 GCBDHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CCn1cc([N+](=O)[O-])cn1 ZINC000751506116 640388513 /nfs/dbraw/zinc/38/85/13/640388513.db2.gz CMTCUQDHRWVSEF-UHFFFAOYSA-N -1 3 389.777 0.605 20 5 GCBDHM NC(=O)COCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000752008659 640400028 /nfs/dbraw/zinc/40/00/28/640400028.db2.gz WKJFKUUAFVYKCR-UHFFFAOYSA-N -1 3 382.192 0.138 20 5 GCBDHM CN1CC[C@](O)(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000762554371 640609333 /nfs/dbraw/zinc/60/93/33/640609333.db2.gz GOQWSCYOUPZQQF-LBPRGKRZSA-N -1 3 394.247 0.702 20 5 GCBDHM NC(=O)[C@@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCOC1 ZINC000848503482 642544104 /nfs/dbraw/zinc/54/41/04/642544104.db2.gz GFFDIZFWEXYBDB-LLVKDONJSA-N -1 3 394.203 0.280 20 5 GCBDHM O=C([N-]C[C@@]1(O)CCS(=O)(=O)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848589906 642546984 /nfs/dbraw/zinc/54/69/84/642546984.db2.gz HWQZWHJWJOTFJU-LBPRGKRZSA-N -1 3 380.325 0.232 20 5 GCBDHM CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000853828765 642806291 /nfs/dbraw/zinc/80/62/91/642806291.db2.gz IVKVSTPSQQSHRT-WDEREUQCSA-N -1 3 380.325 0.495 20 5 GCBDHM CN1CCN(c2ncccc2C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000610263543 1184640378 /nfs/dbraw/zinc/64/03/78/1184640378.db2.gz HDEUNJFFYLFKMC-UHFFFAOYSA-N -1 3 392.441 0.615 20 5 GCBDHM C[C@H]([N-]S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000275612619 1184820987 /nfs/dbraw/zinc/82/09/87/1184820987.db2.gz HGTBTIWBDNDRND-VIFPVBQESA-N -1 3 396.385 0.719 20 5 GCBDHM O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCc1ncccc1[O-] ZINC000471731745 1185913099 /nfs/dbraw/zinc/91/30/99/1185913099.db2.gz NRMPYQXCWVTECF-UHFFFAOYSA-N -1 3 395.397 0.473 20 5 GCBDHM COCCN(C)CCN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1=O ZINC000582802125 1187803778 /nfs/dbraw/zinc/80/37/78/1187803778.db2.gz YPUZGANCFPLZJS-CYBMUJFWSA-N -1 3 380.401 0.209 20 5 GCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)Cn2ccnn2)c(C(F)(F)F)c1 ZINC000416550942 1189548758 /nfs/dbraw/zinc/54/87/58/1189548758.db2.gz RNDKCJIGSIZVIS-VIFPVBQESA-N -1 3 395.319 0.545 20 5 GCBDHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000487338209 1189798842 /nfs/dbraw/zinc/79/88/42/1189798842.db2.gz PCKQPSKOTPYSMU-IUCAKERBSA-N -1 3 391.377 0.469 20 5 GCBDHM Cc1ncc(CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000544262472 1195119550 /nfs/dbraw/zinc/11/95/50/1195119550.db2.gz IDALLPOEIMCRJN-UHFFFAOYSA-N -1 3 395.397 0.384 20 5 GCBDHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000517078866 1195134023 /nfs/dbraw/zinc/13/40/23/1195134023.db2.gz DLBAHTCEASYMLP-UHFFFAOYSA-N -1 3 381.348 0.836 20 5 GCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000524409307 1196592911 /nfs/dbraw/zinc/59/29/11/1196592911.db2.gz WTEKOFPQYPWEIK-WDEREUQCSA-N -1 3 377.357 0.421 20 5 GCBDHM CN(C)C(=O)[C@H]1CCCN1CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525175043 1196655197 /nfs/dbraw/zinc/65/51/97/1196655197.db2.gz COQKZZJTMXMEGL-GFCCVEGCSA-N -1 3 385.446 0.211 20 5 GCBDHM O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc2n[n-]nc21 ZINC000527108440 1196765225 /nfs/dbraw/zinc/76/52/25/1196765225.db2.gz URXQCRPQNVKRFN-UHFFFAOYSA-N -1 3 390.381 0.574 20 5 GCBDHM Cc1ncc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c(=O)[n-]1 ZINC000543315067 1199650815 /nfs/dbraw/zinc/65/08/15/1199650815.db2.gz HEBOBEMZNSPTKX-NSHDSACASA-N -1 3 375.341 0.913 20 5 GCBDHM CNc1nccc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])c1[N+](=O)[O-] ZINC000597653618 1200742507 /nfs/dbraw/zinc/74/25/07/1200742507.db2.gz QAAQYADATLVXCR-VHSXEESVSA-N -1 3 388.384 1.525 20 5 GCBDHM