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@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](C(=O)[O-])C2)cc1OC ZINC000593742466 953754690 /nfs/dbraw/zinc/75/46/90/953754690.db2.gz MTRMNEAAJXVVEJ-KGLIPLIRSA-N -1 1 380.441 3.325 20 5 GGBDMM CN(CCC(=O)[O-])[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001593736871 954342681 /nfs/dbraw/zinc/34/26/81/954342681.db2.gz AOWGITSKWHNRJI-KRWDZBQOSA-N -1 1 391.811 3.335 20 5 GGBDMM CCOc1cc(N2CCN(Cc3ccc(C(=O)[O-])cc3)CC2)ccc1[N+](=O)[O-] ZINC000414635062 973945667 /nfs/dbraw/zinc/94/56/67/973945667.db2.gz FLOJFPYNUUQXAI-UHFFFAOYSA-N -1 1 385.420 3.014 20 5 GGBDMM CCOc1cc(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000593747106 974987015 /nfs/dbraw/zinc/98/70/15/974987015.db2.gz SCFQHENQRBEAAM-UHFFFAOYSA-N -1 1 380.347 3.359 20 5 GGBDMM O=C([O-])c1ccnc(N2CCN(Cc3cccc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000738692696 978589908 /nfs/dbraw/zinc/58/99/08/978589908.db2.gz AQCZNLUSDQCWMU-UHFFFAOYSA-N -1 1 392.415 3.163 20 5 GGBDMM O=C([O-])c1ccnc(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)c1[N+](=O)[O-] ZINC000738695289 978593022 /nfs/dbraw/zinc/59/30/22/978593022.db2.gz JREIRMREOOCNFL-UHFFFAOYSA-N -1 1 377.769 3.278 20 5 GGBDMM O=C([O-])c1ccc2c(=O)[nH]c(C(Cl)=Cc3cc(O)ccc3[N+](=O)[O-])nc2c1 ZINC000772796362 978744428 /nfs/dbraw/zinc/74/44/28/978744428.db2.gz HMZNREHJQBDCHH-SDQBBNPISA-N -1 1 387.735 3.384 20 5 GGBDMM O=C([O-])c1cc(F)cc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1F ZINC000776561520 978754027 /nfs/dbraw/zinc/75/40/27/978754027.db2.gz NIXQNQQDQCTTRR-UHFFFAOYSA-N -1 1 392.723 3.025 20 5 GGBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000783804497 978793897 /nfs/dbraw/zinc/79/38/97/978793897.db2.gz OZBMOKRHIQQVPO-UHFFFAOYSA-N -1 1 384.797 3.364 20 5 GGBDMM CC[C@@](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595264698 980271815 /nfs/dbraw/zinc/27/18/15/980271815.db2.gz CKVAZWMIZDMZTO-KRWDZBQOSA-N -1 1 378.768 3.074 20 5 GGBDMM CCCCNC(=O)C1(NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCCCC1 ZINC001595756298 982456955 /nfs/dbraw/zinc/45/69/55/982456955.db2.gz YYCNPCSNVWKESI-UHFFFAOYSA-N -1 1 377.441 3.002 20 5 GGBDMM O=C([O-])/C=C/c1ccc(NC2CCN(Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000917086237 982679627 /nfs/dbraw/zinc/67/96/27/982679627.db2.gz USYSGMFGPFUJNP-DUXPYHPUSA-N -1 1 382.420 3.164 20 5 GGBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H]3C[C@@]32C(=O)[O-])cc1OC ZINC001594964481 982719099 /nfs/dbraw/zinc/71/90/99/982719099.db2.gz JJJYHYBKMYDQLR-AGKSTNPPSA-N -1 1 392.452 3.467 20 5 GGBDMM CCCc1nc(C)cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1C(=O)[O-] ZINC001596090341 983416086 /nfs/dbraw/zinc/41/60/86/983416086.db2.gz ZVDAWMMYKUNCDK-UHFFFAOYSA-N -1 1 388.376 3.394 20 5 GGBDMM C[C@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC001599901302 984835479 /nfs/dbraw/zinc/83/54/79/984835479.db2.gz ICHYWRQSOLPOHM-LBPRGKRZSA-N -1 1 384.367 3.469 20 5 GGBDMM CC(C)COc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])c1 ZINC001591402341 992482908 /nfs/dbraw/zinc/48/29/08/992482908.db2.gz YMTLANUWVGVHHJ-UHFFFAOYSA-N -1 1 394.405 3.129 20 5 GGBDMM C[C@@](NCc1cc2ccc(F)cc2[nH]c1=O)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593293300 994682757 /nfs/dbraw/zinc/68/27/57/994682757.db2.gz UBIXASDOTULRLA-IBGZPJMESA-N -1 1 385.351 3.077 20 5 GGBDMM C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593317311 994818081 /nfs/dbraw/zinc/81/80/81/994818081.db2.gz OZAIIRCIFBHGQQ-CXAGYDPISA-N -1 1 396.403 3.066 20 5 GGBDMM COc1ccc([C@@H](C)NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1F ZINC001599509809 997277279 /nfs/dbraw/zinc/27/72/79/997277279.db2.gz PTTOXAPTODBOHY-LLVKDONJSA-N -1 1 378.356 3.057 20 5 GGBDMM COc1ccc([C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C(=O)[O-])c(OC)c1 ZINC001599533211 997696404 /nfs/dbraw/zinc/69/64/04/997696404.db2.gz WSVXAEXERYRCAB-INIZCTEOSA-N -1 1 380.784 3.181 20 5 GGBDMM COc1ccc(CN2CC[C@H]2CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001599561049 998195772 /nfs/dbraw/zinc/19/57/72/998195772.db2.gz CCTIWQWTKHXNRV-MPNRVQBSSA-N -1 1 397.431 3.388 20 5 GGBDMM COC(=O)c1ccc([N+](=O)[O-])c(CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1 ZINC001598988046 998712287 /nfs/dbraw/zinc/71/22/87/998712287.db2.gz NOGCTRHHHBYFAE-CQSZACIVSA-N -1 1 386.404 3.104 20 5 GGBDMM C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594297400 999147076 /nfs/dbraw/zinc/14/70/76/999147076.db2.gz WXJACUKWTNBMJM-GXTWGEPZSA-N -1 1 378.425 3.235 20 5 GGBDMM C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594297401 999147204 /nfs/dbraw/zinc/14/72/04/999147204.db2.gz WXJACUKWTNBMJM-JSGCOSHPSA-N -1 1 378.425 3.235 20 5 GGBDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OCC ZINC000007050912 204231366 /nfs/dbraw/zinc/23/13/66/204231366.db2.gz GYGFMCDBSUIQRQ-UHFFFAOYSA-N -1 1 396.421 3.202 20 5 GGBDMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000007323729 204238823 /nfs/dbraw/zinc/23/88/23/204238823.db2.gz GBENUCYYACWQDJ-UHFFFAOYSA-N -1 1 378.406 3.107 20 5 GGBDMM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000038039707 204788066 /nfs/dbraw/zinc/78/80/66/204788066.db2.gz CEJQOIDJLTYRHE-MWLCHTKSSA-N -1 1 377.260 3.214 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1(c2nccs2)CCCC1 ZINC000116366684 564208718 /nfs/dbraw/zinc/20/87/18/564208718.db2.gz AYRKUXQYWURABS-UHFFFAOYSA-N -1 1 387.870 3.453 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)cc1 ZINC000118435613 564240595 /nfs/dbraw/zinc/24/05/95/564240595.db2.gz QTVPUICPUNBYSK-ZDUSSCGKSA-N -1 1 378.303 3.316 20 5 GGBDMM O=C([N-]c1nnc(C(F)F)s1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000118941196 564248518 /nfs/dbraw/zinc/24/85/18/564248518.db2.gz IBHRKKXLMLGFQF-UHFFFAOYSA-N -1 1 379.142 3.399 20 5 GGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1Br ZINC000020430708 564306839 /nfs/dbraw/zinc/30/68/39/564306839.db2.gz DVTAOPUHQHDUOW-UHFFFAOYSA-N -1 1 375.175 3.297 20 5 GGBDMM Cc1cnc([C@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C2CC2)s1 ZINC000120970166 564346324 /nfs/dbraw/zinc/34/63/24/564346324.db2.gz QFVDCSFEWMRPGW-CQSZACIVSA-N -1 1 381.479 3.406 20 5 GGBDMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000055676612 564629259 /nfs/dbraw/zinc/62/92/59/564629259.db2.gz FIVRDUOJQNPOEF-UHFFFAOYSA-N -1 1 383.813 3.316 20 5 GGBDMM Cc1cnc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(Br)c1 ZINC000129482930 564650484 /nfs/dbraw/zinc/65/04/84/564650484.db2.gz SRKGPEPJRZIZKV-UHFFFAOYSA-N -1 1 386.227 3.170 20 5 GGBDMM Cc1csc(Sc2ccc(C(=O)[N-]c3nc(C)no3)cc2[N+](=O)[O-])n1 ZINC000056911425 564654579 /nfs/dbraw/zinc/65/45/79/564654579.db2.gz LPOWDNOFVCUMIG-UHFFFAOYSA-N -1 1 377.407 3.455 20 5 GGBDMM Cn1c(C2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)n[n-]c1=S ZINC000068428250 564818195 /nfs/dbraw/zinc/81/81/95/564818195.db2.gz WFOUNEKSQPFYRU-UHFFFAOYSA-N -1 1 381.845 3.059 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)cc1 ZINC000102907575 564938886 /nfs/dbraw/zinc/93/88/86/564938886.db2.gz UHAFOENFWJXOCV-UHFFFAOYSA-N -1 1 378.797 3.235 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OCc2ccccc2)s1 ZINC000152942489 564977934 /nfs/dbraw/zinc/97/79/34/564977934.db2.gz IPRZNLAGFRBHGN-ZIAGYGMSSA-N -1 1 382.463 3.073 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2OCc2ccccc2)s1 ZINC000152942348 564978196 /nfs/dbraw/zinc/97/81/96/564978196.db2.gz IPRZNLAGFRBHGN-UONOGXRCSA-N -1 1 382.463 3.073 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1csc(-c2ccco2)n1 ZINC000153689178 565006389 /nfs/dbraw/zinc/00/63/89/565006389.db2.gz XXIDNEDBMMUHQN-UHFFFAOYSA-N -1 1 399.837 3.443 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCOc2ccccc21 ZINC000108875108 565018199 /nfs/dbraw/zinc/01/81/99/565018199.db2.gz WBRZPNVOHQXXPD-NSHDSACASA-N -1 1 382.825 3.093 20 5 GGBDMM C[C@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000158190374 565160671 /nfs/dbraw/zinc/16/06/71/565160671.db2.gz IBQAIXCGASZXLQ-SKDRFNHKSA-N -1 1 390.870 3.100 20 5 GGBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C3CCOCC3)s2)c1 ZINC000294026666 565195431 /nfs/dbraw/zinc/19/54/31/565195431.db2.gz FKXUNONVPHSMNH-UHFFFAOYSA-N -1 1 380.451 3.315 20 5 GGBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1nccs1 ZINC000295077701 565243010 /nfs/dbraw/zinc/24/30/10/565243010.db2.gz DQYKOGCEIOIDSC-ZETCQYMHSA-N -1 1 396.277 3.440 20 5 GGBDMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCO1 ZINC000295212117 565251945 /nfs/dbraw/zinc/25/19/45/565251945.db2.gz USYXXQCAQIOGNA-QMMMGPOBSA-N -1 1 383.253 3.138 20 5 GGBDMM CC(C)c1cc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[nH]n1 ZINC000160648095 565254485 /nfs/dbraw/zinc/25/44/85/565254485.db2.gz PGYSIDBWMSCVSR-UHFFFAOYSA-N -1 1 389.231 3.005 20 5 GGBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000272389159 565286068 /nfs/dbraw/zinc/28/60/68/565286068.db2.gz CNIWCPQCJDCZLC-UHFFFAOYSA-N -1 1 380.760 3.327 20 5 GGBDMM Cc1csc([C@@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C2CC2)n1 ZINC000190013844 565501807 /nfs/dbraw/zinc/50/18/07/565501807.db2.gz WAFMGQCPZVMXJN-ZDUSSCGKSA-N -1 1 381.479 3.406 20 5 GGBDMM O=C([N-]c1nc2c(s1)COCC2)c1sc(Br)cc1[N+](=O)[O-] ZINC000277686348 565514571 /nfs/dbraw/zinc/51/45/71/565514571.db2.gz JCQODHVLCHQDGB-UHFFFAOYSA-N -1 1 390.240 3.200 20 5 GGBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nc(C(F)(F)F)cs1 ZINC000278389408 565555295 /nfs/dbraw/zinc/55/52/95/565555295.db2.gz MLOKVBZWJUVYSO-ZCFIWIBFSA-N -1 1 399.347 3.249 20 5 GGBDMM Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C2CC2)n1 ZINC000173465043 565558465 /nfs/dbraw/zinc/55/84/65/565558465.db2.gz UEHQVJZVJXMXQG-HNNXBMFYSA-N -1 1 381.479 3.406 20 5 GGBDMM Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000393006640 565567458 /nfs/dbraw/zinc/56/74/58/565567458.db2.gz JJRVLUBWRCPKLU-UHFFFAOYSA-N -1 1 384.797 3.364 20 5 GGBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC000174648173 565649639 /nfs/dbraw/zinc/64/96/39/565649639.db2.gz AAFPROQTBOFRLG-UHFFFAOYSA-N -1 1 375.175 3.297 20 5 GGBDMM CSc1nsc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000175526010 565705457 /nfs/dbraw/zinc/70/54/57/565705457.db2.gz JOEXDLOWOWXEHH-UHFFFAOYSA-N -1 1 375.229 3.183 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1csc(Br)c1)C1CC1 ZINC000193748423 565773962 /nfs/dbraw/zinc/77/39/62/565773962.db2.gz PYLILBQQBQSOEG-UHFFFAOYSA-N -1 1 398.238 3.324 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cccc2cccnc21 ZINC000194546919 565821965 /nfs/dbraw/zinc/82/19/65/565821965.db2.gz UYXFGRHYIJPTCV-UHFFFAOYSA-N -1 1 377.809 3.275 20 5 GGBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cc(C2CC2)n[nH]1 ZINC000414440480 565933158 /nfs/dbraw/zinc/93/31/58/565933158.db2.gz HRAJMZVFQNDICQ-UHFFFAOYSA-N -1 1 376.316 3.015 20 5 GGBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C ZINC000414460169 565938008 /nfs/dbraw/zinc/93/80/08/565938008.db2.gz WFYDDTXUCPSPOF-UHFFFAOYSA-N -1 1 378.332 3.008 20 5 GGBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000416415675 566065133 /nfs/dbraw/zinc/06/51/33/566065133.db2.gz UNFXTMXBNXRIHO-UHFFFAOYSA-N -1 1 380.266 3.234 20 5 GGBDMM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416463008 566070794 /nfs/dbraw/zinc/07/07/94/566070794.db2.gz AIFWSZVPWTUBLK-LURJTMIESA-N -1 1 380.266 3.233 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCC1CC(F)(F)C1 ZINC000416504118 566078131 /nfs/dbraw/zinc/07/81/31/566078131.db2.gz ZBJRBERRAXYOAW-UHFFFAOYSA-N -1 1 399.213 3.071 20 5 GGBDMM C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC(F)(F)F ZINC000416602015 566093674 /nfs/dbraw/zinc/09/36/74/566093674.db2.gz JPTAAJSSXFVTSO-ZETCQYMHSA-N -1 1 394.293 3.480 20 5 GGBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC(F)(F)F ZINC000416610638 566094829 /nfs/dbraw/zinc/09/48/29/566094829.db2.gz XDAFAJBQMCTUCI-SSDOTTSWSA-N -1 1 394.293 3.480 20 5 GGBDMM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC(F)(F)F ZINC000416610641 566094949 /nfs/dbraw/zinc/09/49/49/566094949.db2.gz XDAFAJBQMCTUCI-ZETCQYMHSA-N -1 1 394.293 3.480 20 5 GGBDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000181079035 566111964 /nfs/dbraw/zinc/11/19/64/566111964.db2.gz BBVYTJRJEFERIN-UHFFFAOYSA-N -1 1 387.776 3.011 20 5 GGBDMM O=C([N-]C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1)C(F)(F)F ZINC000289365601 566120153 /nfs/dbraw/zinc/12/01/53/566120153.db2.gz AQDCONQLCSMTQS-JTQLQIEISA-N -1 1 379.766 3.139 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCO[C@H](C3CC3)C2)c(Cl)cc1Cl ZINC000289971573 566150153 /nfs/dbraw/zinc/15/01/53/566150153.db2.gz UJRQWEHUDTTZOW-ZANVPECISA-N -1 1 395.264 3.138 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)s1 ZINC000181594598 566151993 /nfs/dbraw/zinc/15/19/93/566151993.db2.gz UZLVMYJCOCIUOM-RISCZKNCSA-N -1 1 388.854 3.118 20 5 GGBDMM Cc1cc(Br)c([O-])c(NC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000182920460 566230421 /nfs/dbraw/zinc/23/04/21/566230421.db2.gz FNHHGBLDTURJKE-UHFFFAOYSA-N -1 1 380.198 3.422 20 5 GGBDMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cc(F)cc(Br)c1 ZINC000445211117 566272717 /nfs/dbraw/zinc/27/27/17/566272717.db2.gz JLEVXMQBFXNHMV-GFCCVEGCSA-N -1 1 398.188 3.478 20 5 GGBDMM O=C(Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)Nc1c(Cl)cccc1Cl ZINC000445378278 566286161 /nfs/dbraw/zinc/28/61/61/566286161.db2.gz DQRWHCXVTWNXPI-UHFFFAOYSA-N -1 1 382.163 3.461 20 5 GGBDMM O=C(COc1ccccc1[N+](=O)[O-])N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000535286816 566293154 /nfs/dbraw/zinc/29/31/54/566293154.db2.gz BLOSMKDCTCALCF-UHFFFAOYSA-N -1 1 378.797 3.139 20 5 GGBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)cc1C ZINC000535345743 566297344 /nfs/dbraw/zinc/29/73/44/566297344.db2.gz PFHDMXGIVIWVSO-UHFFFAOYSA-N -1 1 384.797 3.395 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnc(-c3ccccc3)s2)ccc1[O-] ZINC000535780446 566326948 /nfs/dbraw/zinc/32/69/48/566326948.db2.gz LGOKBGXRMPHHSQ-UHFFFAOYSA-N -1 1 377.403 3.225 20 5 GGBDMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C12CCCC2 ZINC000462662822 566338060 /nfs/dbraw/zinc/33/80/60/566338060.db2.gz YLTICDWUWJEULJ-ZIAGYGMSSA-N -1 1 388.873 3.264 20 5 GGBDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])[nH]n2)o1 ZINC000446618328 566357477 /nfs/dbraw/zinc/35/74/77/566357477.db2.gz UHPYSNNZVQAAKF-UHFFFAOYSA-N -1 1 382.785 3.341 20 5 GGBDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])[nH]n2)o1 ZINC000446635844 566358955 /nfs/dbraw/zinc/35/89/55/566358955.db2.gz BDIVWDCEXIKBSF-UHFFFAOYSA-N -1 1 382.785 3.341 20 5 GGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000577268998 566419650 /nfs/dbraw/zinc/41/96/50/566419650.db2.gz GVMMBHQNKZIWAQ-OCCSQVGLSA-N -1 1 381.841 3.258 20 5 GGBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000484241342 566420797 /nfs/dbraw/zinc/42/07/97/566420797.db2.gz AHBINQZDFXKYBU-UHFFFAOYSA-N -1 1 394.225 3.166 20 5 GGBDMM C[C@H](CCc1ccc(Br)cc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484276849 566423574 /nfs/dbraw/zinc/42/35/74/566423574.db2.gz OFBRFKGMRATXIU-SNVBAGLBSA-N -1 1 394.225 3.209 20 5 GGBDMM COc1ccc(CNC(=O)c2ccc(Br)c([O-])c2)cc1[N+](=O)[O-] ZINC000484316695 566424536 /nfs/dbraw/zinc/42/45/36/566424536.db2.gz HROTVNOPXYADOR-UHFFFAOYSA-N -1 1 381.182 3.002 20 5 GGBDMM CC(C)O[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1(C)C ZINC000463859400 566438577 /nfs/dbraw/zinc/43/85/77/566438577.db2.gz NTQMTIUQFBSVRR-CHWSQXEVSA-N -1 1 376.862 3.119 20 5 GGBDMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1Cl ZINC000464192467 566452934 /nfs/dbraw/zinc/45/29/34/566452934.db2.gz DTHLYLRUJCIUIN-UHFFFAOYSA-N -1 1 389.216 3.063 20 5 GGBDMM CCc1[n-][nH]c(=NC(=O)c2cccc(SC)c2[N+](=O)[O-])c1Br ZINC000448320842 566467390 /nfs/dbraw/zinc/46/73/90/566467390.db2.gz WRLJUWDCFKDTGX-UHFFFAOYSA-N -1 1 385.243 3.039 20 5 GGBDMM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000485207806 566482748 /nfs/dbraw/zinc/48/27/48/566482748.db2.gz IHUZAENPKQZWMW-UHFFFAOYSA-N -1 1 391.188 3.401 20 5 GGBDMM O=C([O-])c1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000485220878 566485202 /nfs/dbraw/zinc/48/52/02/566485202.db2.gz YUKZNHLYJYLSRM-UHFFFAOYSA-N -1 1 391.188 3.401 20 5 GGBDMM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000485392750 566493988 /nfs/dbraw/zinc/49/39/88/566493988.db2.gz WFQROZBKXSKXJH-UHFFFAOYSA-N -1 1 391.188 3.401 20 5 GGBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C)c([N+](=O)[O-])c1 ZINC000485996562 566547228 /nfs/dbraw/zinc/54/72/28/566547228.db2.gz RYOUQQURDLZEER-UHFFFAOYSA-N -1 1 384.797 3.144 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)c([N+](=O)[O-])c1 ZINC000604571258 566571774 /nfs/dbraw/zinc/57/17/74/566571774.db2.gz UPHKVQGOMYIWKE-UHFFFAOYSA-N -1 1 384.797 3.129 20 5 GGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCCc1ccc(Cl)s1 ZINC000560056219 566591504 /nfs/dbraw/zinc/59/15/04/566591504.db2.gz DOKJRSCNDBTHIY-UHFFFAOYSA-N -1 1 375.859 3.006 20 5 GGBDMM Cc1sc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)cc1[N+](=O)[O-] ZINC000466963733 566612137 /nfs/dbraw/zinc/61/21/37/566612137.db2.gz LHZGRDMPHMQEQE-UHFFFAOYSA-N -1 1 376.799 3.148 20 5 GGBDMM CS(=O)(=O)[N-]c1ccc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)cn1 ZINC000580369776 566687349 /nfs/dbraw/zinc/68/73/49/566687349.db2.gz DKTCCNBJPLRHKZ-UHFFFAOYSA-N -1 1 378.193 3.460 20 5 GGBDMM COc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000541073405 566693643 /nfs/dbraw/zinc/69/36/43/566693643.db2.gz WSDIWCGEQUWRLU-UHFFFAOYSA-N -1 1 376.312 3.423 20 5 GGBDMM CC1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCCC1 ZINC000488643827 566738612 /nfs/dbraw/zinc/73/86/12/566738612.db2.gz KBELIBVFEJHCLZ-UHFFFAOYSA-N -1 1 377.260 3.358 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000609030155 566746383 /nfs/dbraw/zinc/74/63/83/566746383.db2.gz JFEVOOIXYHKUSS-UHFFFAOYSA-N -1 1 377.260 3.358 20 5 GGBDMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000609387857 566762625 /nfs/dbraw/zinc/76/26/25/566762625.db2.gz LFCXVSHKRKJJRJ-HOMQSWHASA-N -1 1 377.260 3.214 20 5 GGBDMM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000609465946 566765097 /nfs/dbraw/zinc/76/50/97/566765097.db2.gz OOWSALVGDNYAFZ-UHFFFAOYSA-N -1 1 397.261 3.320 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOc1ccc(Cl)cc1 ZINC000516787854 566783906 /nfs/dbraw/zinc/78/39/06/566783906.db2.gz SKCOAACFWPXUDV-UHFFFAOYSA-N -1 1 391.232 3.259 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1cccc(F)c1F ZINC000489719796 566804976 /nfs/dbraw/zinc/80/49/76/566804976.db2.gz WHIBGTYBMOLFHW-UHFFFAOYSA-N -1 1 376.768 3.047 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)n[nH]2)cc1 ZINC000610663134 566852933 /nfs/dbraw/zinc/85/29/33/566852933.db2.gz QKXWDNBTCJOJAM-UHFFFAOYSA-N -1 1 378.797 3.439 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1ccc(Cl)cc1 ZINC000517913039 566855091 /nfs/dbraw/zinc/85/50/91/566855091.db2.gz WNXIFLOGGRFAAA-UHFFFAOYSA-N -1 1 375.233 3.423 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1COc2c1cccc2Cl ZINC000610711745 566855615 /nfs/dbraw/zinc/85/56/15/566855615.db2.gz BDYJWPBBYSRSEO-LLVKDONJSA-N -1 1 389.216 3.314 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H]1CCCC1(F)F ZINC000451820055 566887342 /nfs/dbraw/zinc/88/73/42/566887342.db2.gz CKVIMVBKISRWQU-QMMMGPOBSA-N -1 1 399.213 3.071 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@H]1CCCC1(F)F ZINC000451820054 566887376 /nfs/dbraw/zinc/88/73/76/566887376.db2.gz CKVIMVBKISRWQU-MRVPVSSYSA-N -1 1 399.213 3.071 20 5 GGBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C(C)C)c([N+](=O)[O-])n1 ZINC000611104828 566889218 /nfs/dbraw/zinc/88/92/18/566889218.db2.gz OCULIVGROVCHBG-AWEZNQCLSA-N -1 1 386.861 3.140 20 5 GGBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2cccc(Cl)c2Cl)c([N+](=O)[O-])n1 ZINC000611107602 566890768 /nfs/dbraw/zinc/89/07/68/566890768.db2.gz WAZYTYQAIHJTKK-MRVPVSSYSA-N -1 1 393.252 3.158 20 5 GGBDMM CC(C)CSCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000611118329 566891714 /nfs/dbraw/zinc/89/17/14/566891714.db2.gz CMHWFNBQVXLWJQ-UHFFFAOYSA-N -1 1 397.316 3.025 20 5 GGBDMM COc1ccc(C2([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000519533234 566945118 /nfs/dbraw/zinc/94/51/18/566945118.db2.gz RBAFUXZJPFYJNI-UHFFFAOYSA-N -1 1 382.825 3.224 20 5 GGBDMM O=C([N-]c1nnc(C(F)F)s1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429873067 566960642 /nfs/dbraw/zinc/96/06/42/566960642.db2.gz ZGMUJFKSLWXTFA-UHFFFAOYSA-N -1 1 379.142 3.399 20 5 GGBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2cc(Cl)ccc2Cl)c([N+](=O)[O-])n1 ZINC000494338285 566990320 /nfs/dbraw/zinc/99/03/20/566990320.db2.gz JOLSDVHELJUHBM-QMMMGPOBSA-N -1 1 393.252 3.158 20 5 GGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000452839782 567022120 /nfs/dbraw/zinc/02/21/20/567022120.db2.gz FKXQFJKOPIXTDW-LLVKDONJSA-N -1 1 392.209 3.088 20 5 GGBDMM COc1cc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000520763893 567023848 /nfs/dbraw/zinc/02/38/48/567023848.db2.gz HMDXUBRIBGAHIF-UHFFFAOYSA-N -1 1 390.776 3.205 20 5 GGBDMM Cc1cc(C)cc(OCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000521389026 567058010 /nfs/dbraw/zinc/05/80/10/567058010.db2.gz XGOWCUVUAULWEP-UHFFFAOYSA-N -1 1 384.841 3.222 20 5 GGBDMM COC(=O)c1cccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1Cl ZINC000431184468 567063690 /nfs/dbraw/zinc/06/36/90/567063690.db2.gz SXMWRBQLIWMJGS-UHFFFAOYSA-N -1 1 384.797 3.144 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(I)cc3)no2)[n-]1 ZINC000545633608 567066604 /nfs/dbraw/zinc/06/66/04/567066604.db2.gz LUGVGSDBHOFTKJ-UHFFFAOYSA-N -1 1 382.117 3.245 20 5 GGBDMM CC(C)(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000522800556 567131837 /nfs/dbraw/zinc/13/18/37/567131837.db2.gz CVJBTCQHINDIOI-IAQYHMDHSA-N -1 1 390.889 3.368 20 5 GGBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)c1 ZINC000589190804 567164005 /nfs/dbraw/zinc/16/40/05/567164005.db2.gz SYXSZDIHDOTPPT-UHFFFAOYSA-N -1 1 376.312 3.337 20 5 GGBDMM COc1c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)oc2ccccc21 ZINC000474397592 567168691 /nfs/dbraw/zinc/16/86/91/567168691.db2.gz YFKDZDWPOCGCSY-UHFFFAOYSA-N -1 1 382.419 3.198 20 5 GGBDMM CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Oc1ccccc1 ZINC000524448235 567199544 /nfs/dbraw/zinc/19/95/44/567199544.db2.gz MBUHZMWLSCIIBM-UHFFFAOYSA-N -1 1 384.841 3.384 20 5 GGBDMM CCOc1cc(Cl)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000499286369 567235677 /nfs/dbraw/zinc/23/56/77/567235677.db2.gz QBDYUOSEXZFXMA-UHFFFAOYSA-N -1 1 386.813 3.462 20 5 GGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000590760486 567244507 /nfs/dbraw/zinc/24/45/07/567244507.db2.gz XHDMWQUVORHYKW-CQSZACIVSA-N -1 1 385.804 3.212 20 5 GGBDMM CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(F)(F)F ZINC000547818266 567248568 /nfs/dbraw/zinc/24/85/68/567248568.db2.gz COODAJUICDFOJG-ZDUSSCGKSA-N -1 1 377.344 3.152 20 5 GGBDMM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000475740090 567271278 /nfs/dbraw/zinc/27/12/78/567271278.db2.gz PFURNBAAWYFEDA-UHFFFAOYSA-N -1 1 384.797 3.364 20 5 GGBDMM O=[N+]([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1 ZINC000475836822 567282363 /nfs/dbraw/zinc/28/23/63/567282363.db2.gz SMAPXXPPVSJLSY-UHFFFAOYSA-N -1 1 376.312 3.179 20 5 GGBDMM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000617345471 567300988 /nfs/dbraw/zinc/30/09/88/567300988.db2.gz WPDGIJBNLVJKRD-OAHLLOKOSA-N -1 1 395.209 3.281 20 5 GGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C(C)=O)ccc1Cl ZINC000476483008 567327094 /nfs/dbraw/zinc/32/70/94/567327094.db2.gz OEFYGTMQLWNMPI-UHFFFAOYSA-N -1 1 384.797 3.260 20 5 GGBDMM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F ZINC000476574634 567336292 /nfs/dbraw/zinc/33/62/92/567336292.db2.gz NDWLHHSJJHEOSG-ZCFIWIBFSA-N -1 1 380.266 3.090 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)n[nH]1 ZINC000434969612 567338418 /nfs/dbraw/zinc/33/84/18/567338418.db2.gz ZPUACTUTZUMNMU-UHFFFAOYSA-N -1 1 378.797 3.439 20 5 GGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cl)c(CN(C)C)c1 ZINC000500789170 567345750 /nfs/dbraw/zinc/34/57/50/567345750.db2.gz YDWHQCFUPJPWRU-UHFFFAOYSA-N -1 1 383.857 3.419 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000435215248 567349671 /nfs/dbraw/zinc/34/96/71/567349671.db2.gz HQIKEFWKBZIJEG-UHOFOFEASA-N -1 1 378.837 3.255 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000435215063 567349797 /nfs/dbraw/zinc/34/97/97/567349797.db2.gz HQIKEFWKBZIJEG-APHBMKBZSA-N -1 1 378.837 3.255 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1c(F)cccc1F ZINC000435432921 567364111 /nfs/dbraw/zinc/36/41/11/567364111.db2.gz LLWKHQHCXJBWMD-PRHODGIISA-N -1 1 388.779 3.361 20 5 GGBDMM Cc1nccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c1Cl ZINC000618393452 567386273 /nfs/dbraw/zinc/38/62/73/567386273.db2.gz UCBAQBSLBRSELS-UHFFFAOYSA-N -1 1 376.619 3.450 20 5 GGBDMM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000436184405 567412682 /nfs/dbraw/zinc/41/26/82/567412682.db2.gz KLVCZWMIJGMMGI-ZDUSSCGKSA-N -1 1 388.804 3.053 20 5 GGBDMM COc1ccc(CNC(=O)c2ccc(Br)cc2[O-])cc1[N+](=O)[O-] ZINC000436536705 567433064 /nfs/dbraw/zinc/43/30/64/567433064.db2.gz BUDHIGWOHKLPRN-UHFFFAOYSA-N -1 1 381.182 3.002 20 5 GGBDMM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(Br)ccc1[O-] ZINC000436626074 567438860 /nfs/dbraw/zinc/43/88/60/567438860.db2.gz GXWSRTIZNHQVDZ-UHFFFAOYSA-N -1 1 379.210 3.378 20 5 GGBDMM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Br)cc1[O-] ZINC000436825166 567454008 /nfs/dbraw/zinc/45/40/08/567454008.db2.gz FRLYMAKZUVUQLY-UHFFFAOYSA-N -1 1 379.210 3.378 20 5 GGBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)n[nH]2)c1 ZINC000619668062 567472518 /nfs/dbraw/zinc/47/25/18/567472518.db2.gz UJOMRRNSKUOEIW-UHFFFAOYSA-N -1 1 378.797 3.439 20 5 GGBDMM CC(C)(C)c1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000551474456 567510487 /nfs/dbraw/zinc/51/04/87/567510487.db2.gz MOYJAQYMMXNVQS-UHFFFAOYSA-N -1 1 384.435 3.453 20 5 GGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000570790649 567513872 /nfs/dbraw/zinc/51/38/72/567513872.db2.gz KRUYNZXZMFAMHP-TZMCWYRMSA-N -1 1 381.841 3.258 20 5 GGBDMM Cc1c(Cl)cc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000479252094 567519100 /nfs/dbraw/zinc/51/91/00/567519100.db2.gz JJLGPNVQPPQPBC-UHFFFAOYSA-N -1 1 388.760 3.195 20 5 GGBDMM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Br)c([O-])c1 ZINC000570874152 567519855 /nfs/dbraw/zinc/51/98/55/567519855.db2.gz QNTBAMDFTHOJJI-UHFFFAOYSA-N -1 1 379.210 3.378 20 5 GGBDMM CCc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[n-]c(=O)c1C ZINC000594905005 567525335 /nfs/dbraw/zinc/52/53/35/567525335.db2.gz LVOZOEQGJVPPCE-UHFFFAOYSA-N -1 1 382.829 3.345 20 5 GGBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc([N+](=O)[O-])c1 ZINC000438719520 567540016 /nfs/dbraw/zinc/54/00/16/567540016.db2.gz GKRMVHDGRVMQFV-UHFFFAOYSA-N -1 1 384.797 3.144 20 5 GGBDMM CC(C)[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000551993214 567547528 /nfs/dbraw/zinc/54/75/28/567547528.db2.gz ZMSLDSVKODHKIH-CQSZACIVSA-N -1 1 383.857 3.361 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C/C=C/c1ccccc1 ZINC000480001570 567575066 /nfs/dbraw/zinc/57/50/66/567575066.db2.gz ZDNTXXDCEBZCPT-QPJJXVBHSA-N -1 1 397.250 3.349 20 5 GGBDMM CCc1[n-][nH]c(=NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1Br ZINC000480017922 567575956 /nfs/dbraw/zinc/57/59/56/567575956.db2.gz QDXAQIXMISONGB-UHFFFAOYSA-N -1 1 385.243 3.039 20 5 GGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000442225582 567686908 /nfs/dbraw/zinc/68/69/08/567686908.db2.gz VZHBHLWGACKMMT-UHFFFAOYSA-N -1 1 378.740 3.336 20 5 GGBDMM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000553906269 567698462 /nfs/dbraw/zinc/69/84/62/567698462.db2.gz ORVSFABGHYLLEQ-VXJOIVPMSA-N -1 1 386.788 3.188 20 5 GGBDMM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000508148083 567734548 /nfs/dbraw/zinc/73/45/48/567734548.db2.gz YOWDVDQOXSYLAC-UHFFFAOYSA-N -1 1 384.797 3.144 20 5 GGBDMM COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000508235564 567739063 /nfs/dbraw/zinc/73/90/63/567739063.db2.gz UUTFQXSOZNDMHN-UHFFFAOYSA-N -1 1 386.813 3.380 20 5 GGBDMM CS(=O)(=O)[N-]c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000554685100 567741870 /nfs/dbraw/zinc/74/18/70/567741870.db2.gz PQZVACVCLQPGHC-UHFFFAOYSA-N -1 1 377.300 3.172 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc2c(n1)CCCC2 ZINC000443949651 567781486 /nfs/dbraw/zinc/78/14/86/567781486.db2.gz XHRBJCDGCCVKGP-UHFFFAOYSA-N -1 1 381.841 3.001 20 5 GGBDMM CNc1ccc(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)cc1[N+](=O)[O-] ZINC000533843240 567789689 /nfs/dbraw/zinc/78/96/89/567789689.db2.gz UOUZIPOWKSAPRA-UHFFFAOYSA-N -1 1 377.813 3.416 20 5 GGBDMM O=C(COc1cccc([N+](=O)[O-])c1)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000533841627 567789714 /nfs/dbraw/zinc/78/97/14/567789714.db2.gz NYWHBWUUZBWBSQ-UHFFFAOYSA-N -1 1 378.797 3.139 20 5 GGBDMM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)CCCCCC2)no1 ZINC000024688981 570279026 /nfs/dbraw/zinc/27/90/26/570279026.db2.gz YMXLRAITENPGIV-UHFFFAOYSA-N -1 1 394.453 3.123 20 5 GGBDMM Cc1ccc(NCCCNc2snc(Cl)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000737362449 598857218 /nfs/dbraw/zinc/85/72/18/598857218.db2.gz PFZVLCLTJKESGO-UHFFFAOYSA-N -1 1 394.848 3.107 20 5 GGBDMM Cc1ccc(NCCCNc2snc(Cl)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000737362449 598857219 /nfs/dbraw/zinc/85/72/19/598857219.db2.gz PFZVLCLTJKESGO-UHFFFAOYSA-N -1 1 394.848 3.107 20 5 GGBDMM COc1ccc([N+](=O)[O-])cc1CN[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000738069125 599790764 /nfs/dbraw/zinc/79/07/64/599790764.db2.gz YDHRZTUPXHOIPM-HNNXBMFYSA-N -1 1 395.209 3.281 20 5 GGBDMM O=C([O-])c1sc2ccccc2c1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000610852816 599871049 /nfs/dbraw/zinc/87/10/49/599871049.db2.gz ZNBQAAWNXCCFLQ-UHFFFAOYSA-N -1 1 396.384 3.314 20 5 GGBDMM O=C([O-])C=Cc1ccc(NCc2n[nH]c(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1 ZINC000739622231 599894266 /nfs/dbraw/zinc/89/42/66/599894266.db2.gz ABGONVFTNQZDGC-WAPJZHGLSA-N -1 1 383.339 3.229 20 5 GGBDMM O=C([O-])C=Cc1ccc(NCc2nc(-c3ccc(F)cc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000739622231 599894268 /nfs/dbraw/zinc/89/42/68/599894268.db2.gz ABGONVFTNQZDGC-WAPJZHGLSA-N -1 1 383.339 3.229 20 5 GGBDMM C[C@](NCc1ccccc1[N+](=O)[O-])(C(=O)[O-])c1cccc(Br)c1 ZINC000736664681 600079325 /nfs/dbraw/zinc/07/93/25/600079325.db2.gz QLOUVIUOLHEYNQ-MRXNPFEDSA-N -1 1 379.210 3.447 20 5 GGBDMM CCN1CCC[C@@H](Nc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737114139 600432614 /nfs/dbraw/zinc/43/26/14/600432614.db2.gz GXAXSLWGEBNJER-OAHLLOKOSA-N -1 1 397.431 3.420 20 5 GGBDMM O=C([O-])c1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000485212950 600690812 /nfs/dbraw/zinc/69/08/12/600690812.db2.gz RMZQCWYIEGMEHC-UHFFFAOYSA-N -1 1 390.295 3.113 20 5 GGBDMM O=C([O-])C=Cc1ccc(Nc2cccc(N3CCC[NH+]=C3[O-])c2)c([N+](=O)[O-])c1 ZINC000833197187 600823706 /nfs/dbraw/zinc/82/37/06/600823706.db2.gz LWVMNQFPWANKPS-VURMDHGXSA-N -1 1 382.376 3.356 20 5 GGBDMM C[C@H]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000828284831 600961600 /nfs/dbraw/zinc/96/16/00/600961600.db2.gz ILVZTYNORNSXBE-HNNXBMFYSA-N -1 1 397.431 3.030 20 5 GGBDMM CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000830524394 600984180 /nfs/dbraw/zinc/98/41/80/600984180.db2.gz XIGACYWEFGUEIY-SFHVURJKSA-N -1 1 397.431 3.030 20 5 GGBDMM C[C@@H](CN(Cc1ccccc1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C(=O)[O-] ZINC000736584169 601089423 /nfs/dbraw/zinc/08/94/23/601089423.db2.gz QECPCDSJFAFDDA-HNNXBMFYSA-N -1 1 395.419 3.034 20 5 GGBDMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)cc1Cl ZINC000013340175 601316709 /nfs/dbraw/zinc/31/67/09/601316709.db2.gz SXSYCWIXRLYSRF-UHFFFAOYSA-N -1 1 391.188 3.401 20 5 GGBDMM Cc1ccc([C@H](C)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1[N+](=O)[O-] ZINC000832920811 601368982 /nfs/dbraw/zinc/36/89/82/601368982.db2.gz HXFNOXUGOHADGD-FZMZJTMJSA-N -1 1 389.433 3.119 20 5 GGBDMM CC[C@@H](N[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000828982951 601380588 /nfs/dbraw/zinc/38/05/88/601380588.db2.gz KGJYRUBUWBJXJQ-FZKQIMNGSA-N -1 1 385.420 3.039 20 5 GGBDMM Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@](C)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000263577296 601946948 /nfs/dbraw/zinc/94/69/48/601946948.db2.gz RJXKUCJVIQLCQD-GHTZIAJQSA-N -1 1 397.431 3.380 20 5 GGBDMM CCCOc1ccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1OC ZINC000821133860 606644953 /nfs/dbraw/zinc/64/49/53/606644953.db2.gz HSUOQMOBTMSIAQ-UHFFFAOYSA-N -1 1 384.396 3.184 20 5 GGBDMM CN(Cc1ccccc1-c1ccccc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821614462 606706904 /nfs/dbraw/zinc/70/69/04/606706904.db2.gz HJXUAXBLWMGUKN-UHFFFAOYSA-N -1 1 387.403 3.473 20 5 GGBDMM CN(Cc1ccccc1-c1ccccc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821614462 606706905 /nfs/dbraw/zinc/70/69/05/606706905.db2.gz HJXUAXBLWMGUKN-UHFFFAOYSA-N -1 1 387.403 3.473 20 5 GGBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000820461536 606711672 /nfs/dbraw/zinc/71/16/72/606711672.db2.gz LRYKLFCXKGFDNY-QMMMGPOBSA-N -1 1 379.302 3.362 20 5 GGBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000820461536 606711675 /nfs/dbraw/zinc/71/16/75/606711675.db2.gz LRYKLFCXKGFDNY-QMMMGPOBSA-N -1 1 379.302 3.362 20 5 GGBDMM CC[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000820995233 606714736 /nfs/dbraw/zinc/71/47/36/606714736.db2.gz ONJNZUZUNRXEOO-UKRRQHHQSA-N -1 1 379.424 3.190 20 5 GGBDMM CC[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000820995233 606714737 /nfs/dbraw/zinc/71/47/37/606714737.db2.gz ONJNZUZUNRXEOO-UKRRQHHQSA-N -1 1 379.424 3.190 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC(c1ccccc1)c1ccccc1 ZINC000823621043 607163212 /nfs/dbraw/zinc/16/32/12/607163212.db2.gz VVJHYRXGDCJOQL-UHFFFAOYSA-N -1 1 387.403 3.414 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC(c1ccccc1)c1ccccc1 ZINC000823621043 607163214 /nfs/dbraw/zinc/16/32/14/607163214.db2.gz VVJHYRXGDCJOQL-UHFFFAOYSA-N -1 1 387.403 3.414 20 5 GGBDMM O=C([N-]c1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1cc(F)c(F)cc1F ZINC000826450801 608162119 /nfs/dbraw/zinc/16/21/19/608162119.db2.gz DTFCPGRNKHGNLH-UHFFFAOYSA-N -1 1 398.688 3.098 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC=C(c2ccccc2Cl)CC1 ZINC000826496656 608557084 /nfs/dbraw/zinc/55/70/84/608557084.db2.gz CWUYXUMXOUHIAV-UHFFFAOYSA-N -1 1 383.799 3.117 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC=C(c2ccccc2Cl)CC1 ZINC000826496656 608557085 /nfs/dbraw/zinc/55/70/85/608557085.db2.gz CWUYXUMXOUHIAV-UHFFFAOYSA-N -1 1 383.799 3.117 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826497278 609326272 /nfs/dbraw/zinc/32/62/72/609326272.db2.gz ASALDWLIPVVSDR-GFCCVEGCSA-N -1 1 383.387 3.083 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826497278 609326273 /nfs/dbraw/zinc/32/62/73/609326273.db2.gz ASALDWLIPVVSDR-GFCCVEGCSA-N -1 1 383.387 3.083 20 5 GGBDMM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000054829606 1406833137 /nfs/dbraw/zinc/83/31/37/1406833137.db2.gz BTRKBYLRKNRTOG-UHFFFAOYSA-N -1 1 397.840 3.059 20 5 GGBDMM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)ccc21 ZINC000005099523 1398414463 /nfs/dbraw/zinc/41/44/63/1398414463.db2.gz DBMQRWPCGIDGEA-UHFFFAOYSA-N -1 1 389.433 3.003 20 5 GGBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccc(Br)c2)ccc1F ZINC000005126848 1398416218 /nfs/dbraw/zinc/41/62/18/1398416218.db2.gz NIWPMUFZOXEYGC-UHFFFAOYSA-N -1 1 375.175 3.297 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(N2CCCCC2=O)c1 ZINC000005330045 1398435399 /nfs/dbraw/zinc/43/53/99/1398435399.db2.gz WZXGUOUCMQYOGP-UHFFFAOYSA-N -1 1 389.433 3.221 20 5 GGBDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000007109325 1398600205 /nfs/dbraw/zinc/60/02/05/1398600205.db2.gz MVNCPQAVFSKJGN-UHFFFAOYSA-N -1 1 386.813 3.456 20 5 GGBDMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000007420769 1398672359 /nfs/dbraw/zinc/67/23/59/1398672359.db2.gz STOGHNFEMFZVCJ-UHFFFAOYSA-N -1 1 398.824 3.452 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)cc1[N+](=O)[O-] ZINC000014097426 1399086508 /nfs/dbraw/zinc/08/65/08/1399086508.db2.gz LYPCLXOGYFDIAD-UHFFFAOYSA-N -1 1 375.406 3.053 20 5 GGBDMM COC(=O)c1cc2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)ccc2o1 ZINC000055610371 1407024081 /nfs/dbraw/zinc/02/40/81/1407024081.db2.gz JZACLWJENJHUQB-UHFFFAOYSA-N -1 1 390.373 3.237 20 5 GGBDMM COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2o1 ZINC000055610375 1407024186 /nfs/dbraw/zinc/02/41/86/1407024186.db2.gz MFRQAENKQFFLCB-UHFFFAOYSA-N -1 1 390.373 3.237 20 5 GGBDMM CCOc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)ccc1OC ZINC000055631809 1407031882 /nfs/dbraw/zinc/03/18/82/1407031882.db2.gz CFTZHEUULLSOPL-UHFFFAOYSA-N -1 1 380.422 3.420 20 5 GGBDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000055633214 1407032470 /nfs/dbraw/zinc/03/24/70/1407032470.db2.gz BMSKWAPXQXNOGE-UHFFFAOYSA-N -1 1 394.449 3.257 20 5 GGBDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000055638666 1407035018 /nfs/dbraw/zinc/03/50/18/1407035018.db2.gz XCQIDTSTDXIBTI-UHFFFAOYSA-N -1 1 377.422 3.443 20 5 GGBDMM COCCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000055643350 1407038315 /nfs/dbraw/zinc/03/83/15/1407038315.db2.gz RREFXUFPXGQTBW-UHFFFAOYSA-N -1 1 380.422 3.038 20 5 GGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-n2cccn2)c(F)c1 ZINC000055649231 1407041491 /nfs/dbraw/zinc/04/14/91/1407041491.db2.gz NCANPRSYMLYHCO-UHFFFAOYSA-N -1 1 376.369 3.029 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)ccc1Cl ZINC000024577499 1399644928 /nfs/dbraw/zinc/64/49/28/1399644928.db2.gz QJHDHAPCKSCZNA-UHFFFAOYSA-N -1 1 378.797 3.235 20 5 GGBDMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C ZINC000055674242 1407051037 /nfs/dbraw/zinc/05/10/37/1407051037.db2.gz FCJFPBAFVDZVKE-UHFFFAOYSA-N -1 1 377.422 3.279 20 5 GGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(NC(C)=O)ccc1Cl ZINC000055676574 1407051783 /nfs/dbraw/zinc/05/17/83/1407051783.db2.gz JDDLYJDLJXLOCO-UHFFFAOYSA-N -1 1 399.812 3.016 20 5 GGBDMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)c1C ZINC000026540650 1399898361 /nfs/dbraw/zinc/89/83/61/1399898361.db2.gz MNBDFQLTNDXTTC-UHFFFAOYSA-N -1 1 393.465 3.033 20 5 GGBDMM CCC(CC)c1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000026562992 1399899522 /nfs/dbraw/zinc/89/95/22/1399899522.db2.gz FNDYGZVUUWTTND-UHFFFAOYSA-N -1 1 378.410 3.373 20 5 GGBDMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000029324994 1400283498 /nfs/dbraw/zinc/28/34/98/1400283498.db2.gz ATPZAVXSKAMAKC-UHFFFAOYSA-N -1 1 398.828 3.109 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccccc1Br ZINC000047417627 1404830943 /nfs/dbraw/zinc/83/09/43/1404830943.db2.gz KESSKDXVACBVIE-UHFFFAOYSA-N -1 1 375.175 3.297 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccccc1OC(F)(F)F ZINC000047671387 1404890838 /nfs/dbraw/zinc/89/08/38/1404890838.db2.gz CEDVCMKRABRIAJ-UHFFFAOYSA-N -1 1 394.302 3.111 20 5 GGBDMM O=[N+]([O-])c1ccc(OCc2ccnc(-c3nnn[n-]3)c2)c(Cc2ccccc2)c1 ZINC000826498929 1426479518 /nfs/dbraw/zinc/47/95/18/1426479518.db2.gz OSOKDHLSFKHAKN-UHFFFAOYSA-N -1 1 388.387 3.340 20 5 GGBDMM Cc1c(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cccc1-c1nn[n-]n1 ZINC000826243167 1426513312 /nfs/dbraw/zinc/51/33/12/1426513312.db2.gz XLLLXFGYGREXKZ-UHFFFAOYSA-N -1 1 377.364 3.350 20 5 GGBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050603404 1405611109 /nfs/dbraw/zinc/61/11/09/1405611109.db2.gz JWYBYPHCTROPCY-UHFFFAOYSA-N -1 1 384.299 3.108 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccc(Cl)cc1F ZINC000826451095 1428133323 /nfs/dbraw/zinc/13/33/23/1428133323.db2.gz PZXOYFIXGPRZSL-UHFFFAOYSA-N -1 1 397.153 3.473 20 5 GGBDMM CCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502491 1428227909 /nfs/dbraw/zinc/22/79/09/1428227909.db2.gz NMDMTSCZJSHGOF-GFCCVEGCSA-N -1 1 398.448 3.309 20 5 GGBDMM O=C([N-]c1nnc(Cc2ccccc2)s1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000057584863 1407658942 /nfs/dbraw/zinc/65/89/42/1407658942.db2.gz VWMLNBRYLVBFSU-UHFFFAOYSA-N -1 1 398.400 3.061 20 5 GGBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1Cl ZINC000057785609 1407716646 /nfs/dbraw/zinc/71/66/46/1407716646.db2.gz JSHHGEJVEVBDDZ-UHFFFAOYSA-N -1 1 399.812 3.016 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ncc(-c2ccccc2)o1 ZINC000060755543 1408028919 /nfs/dbraw/zinc/02/89/19/1408028919.db2.gz VTYLRRXVSCZKGE-UHFFFAOYSA-N -1 1 393.808 3.382 20 5 GGBDMM CCC(O)(CC)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000063992687 1408462804 /nfs/dbraw/zinc/46/28/04/1408462804.db2.gz LWCCVJMICMPQNY-UHFFFAOYSA-N -1 1 393.465 3.359 20 5 GGBDMM COC(=O)C=Cc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000821657751 1428335973 /nfs/dbraw/zinc/33/59/73/1428335973.db2.gz VGEOIDRIJWWRSQ-YPUOHESYSA-N -1 1 394.391 3.134 20 5 GGBDMM O=C([N-]c1nc(-c2ccccc2)ns1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066315760 1408810648 /nfs/dbraw/zinc/81/06/48/1408810648.db2.gz YKSUEOYXMIKWMR-UHFFFAOYSA-N -1 1 384.373 3.137 20 5 GGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)cc1 ZINC000067116709 1409012128 /nfs/dbraw/zinc/01/21/28/1409012128.db2.gz QVARUBHEXLSMBC-UHFFFAOYSA-N -1 1 389.433 3.085 20 5 GGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(NC(C)=O)c1 ZINC000067116746 1409012395 /nfs/dbraw/zinc/01/23/95/1409012395.db2.gz WXNTVZGHVIAALC-UHFFFAOYSA-N -1 1 381.385 3.056 20 5 GGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCCOC)c(F)c1 ZINC000067124050 1409014041 /nfs/dbraw/zinc/01/40/41/1409014041.db2.gz GVZZSBYPLUGPBH-UHFFFAOYSA-N -1 1 398.412 3.122 20 5 GGBDMM CCOCCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000067949806 1409262497 /nfs/dbraw/zinc/26/24/97/1409262497.db2.gz XRMKAHOZDZSHFR-UHFFFAOYSA-N -1 1 379.438 3.234 20 5 GGBDMM CC(C)n1c(C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)n[n-]c1=S ZINC000068435371 1409401911 /nfs/dbraw/zinc/40/19/11/1409401911.db2.gz KYAXRZOYEONEMI-UHFFFAOYSA-N -1 1 389.481 3.378 20 5 GGBDMM CCn1c(C2CCN(C(=O)C=Cc3ccc([N+](=O)[O-])cc3)CC2)n[n-]c1=S ZINC000068452626 1409406706 /nfs/dbraw/zinc/40/67/06/1409406706.db2.gz NNHTVHNGSKSKIR-VMPITWQZSA-N -1 1 387.465 3.288 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCOc2ccc(F)cc21 ZINC000068937979 1409529457 /nfs/dbraw/zinc/52/94/57/1409529457.db2.gz LNYXIOPHISAOAN-LBPRGKRZSA-N -1 1 386.788 3.189 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCOc2ccc(F)cc21 ZINC000068937977 1409529564 /nfs/dbraw/zinc/52/95/64/1409529564.db2.gz LNYXIOPHISAOAN-GFCCVEGCSA-N -1 1 386.788 3.189 20 5 GGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000072045309 1409841107 /nfs/dbraw/zinc/84/11/07/1409841107.db2.gz GARQZGVLVPFSMZ-HNNXBMFYSA-N -1 1 388.405 3.123 20 5 GGBDMM Cn1c(CCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n[n-]c1=S ZINC000097550841 1410376478 /nfs/dbraw/zinc/37/64/78/1410376478.db2.gz ASKRTVBTXTZSCD-UHFFFAOYSA-N -1 1 398.448 3.102 20 5 GGBDMM Cc1nn(C)c(C(=O)[N-]c2nnc(C(C)(C)c3ccccc3)s2)c1[N+](=O)[O-] ZINC000106685001 1411277993 /nfs/dbraw/zinc/27/79/93/1411277993.db2.gz CCZYYKPJCNRQRZ-UHFFFAOYSA-N -1 1 386.437 3.066 20 5 GGBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)c1 ZINC000107164951 1411345854 /nfs/dbraw/zinc/34/58/54/1411345854.db2.gz JEZQXWQJFWPLOS-UHFFFAOYSA-N -1 1 388.380 3.437 20 5 GGBDMM COc1cccc(Cc2nnc([N-]C(=O)c3ccc([N+](=O)[O-])cc3F)s2)c1 ZINC000107177785 1411347287 /nfs/dbraw/zinc/34/72/87/1411347287.db2.gz KSAHWNOSWCBTAV-UHFFFAOYSA-N -1 1 388.380 3.437 20 5 GGBDMM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1C(=O)NC(C)C ZINC000108762549 1411602481 /nfs/dbraw/zinc/60/24/81/1411602481.db2.gz MIJWWARWIFJPGQ-UHFFFAOYSA-N -1 1 391.449 3.151 20 5 GGBDMM C[C@H](OC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820498185 1428611072 /nfs/dbraw/zinc/61/10/72/1428611072.db2.gz ZCPHIRNUSGHKMH-ZDUSSCGKSA-N -1 1 396.407 3.271 20 5 GGBDMM O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc([O-])c(Cl)c1 ZINC000111668453 1412011039 /nfs/dbraw/zinc/01/10/39/1412011039.db2.gz ROUWFSYVAVVQSZ-UHFFFAOYSA-N -1 1 391.767 3.281 20 5 GGBDMM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000115928525 1412816663 /nfs/dbraw/zinc/81/66/63/1412816663.db2.gz IAPPGQZNMFUSEV-NXEZZACHSA-N -1 1 379.276 3.460 20 5 GGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1C ZINC000116712043 1412901401 /nfs/dbraw/zinc/90/14/01/1412901401.db2.gz MZUZSWBVPAKNDB-RUZDIDTESA-N -1 1 396.490 3.145 20 5 GGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)c(F)c1 ZINC000118161414 1413117801 /nfs/dbraw/zinc/11/78/01/1413117801.db2.gz BGOCSXILDZOBAW-UHFFFAOYSA-N -1 1 376.369 3.029 20 5 GGBDMM CC[C@@H](C)C(=O)Nc1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000119598044 1413498826 /nfs/dbraw/zinc/49/88/26/1413498826.db2.gz ASGPVAQDRSKBHC-LLVKDONJSA-N -1 1 397.478 3.119 20 5 GGBDMM CC(C)(C)c1ccc([C@@H](O)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000120091034 1413683770 /nfs/dbraw/zinc/68/37/70/1413683770.db2.gz QFAXDTWUKRHUIU-HNNXBMFYSA-N -1 1 396.440 3.043 20 5 GGBDMM Cc1ccccc1CCc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000120150349 1413707529 /nfs/dbraw/zinc/70/75/29/1413707529.db2.gz UEJSKASCSMHIQC-UHFFFAOYSA-N -1 1 392.462 3.274 20 5 GGBDMM Cc1cc(F)cc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1[N+](=O)[O-] ZINC000120300567 1413774808 /nfs/dbraw/zinc/77/48/08/1413774808.db2.gz LJWIVWZFXMPMGX-UHFFFAOYSA-N -1 1 386.379 3.483 20 5 GGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000122762507 1414558171 /nfs/dbraw/zinc/55/81/71/1414558171.db2.gz JOYWHXADHLZMIH-GFCCVEGCSA-N -1 1 377.784 3.032 20 5 GGBDMM C[C@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000122777183 1414562138 /nfs/dbraw/zinc/56/21/38/1414562138.db2.gz LAEAAWQKDRSQFT-ABAIWWIYSA-N -1 1 384.841 3.039 20 5 GGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(C)=O)c1C ZINC000122984287 1414612828 /nfs/dbraw/zinc/61/28/28/1414612828.db2.gz ZQHUUALCKHRMQR-UHFFFAOYSA-N -1 1 377.422 3.225 20 5 GGBDMM O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000124400872 1414958945 /nfs/dbraw/zinc/95/89/45/1414958945.db2.gz RQQABBCGWRIHQP-UHFFFAOYSA-N -1 1 382.416 3.355 20 5 GGBDMM C[C@@H](O)C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000124688316 1415022270 /nfs/dbraw/zinc/02/22/70/1415022270.db2.gz PZMZVQARKJDQCW-TZMCWYRMSA-N -1 1 398.868 3.081 20 5 GGBDMM Cc1sc(S(=O)(=O)[N-]Cc2coc(-c3ccc(C)cc3)n2)cc1[N+](=O)[O-] ZINC000124897422 1415068853 /nfs/dbraw/zinc/06/88/53/1415068853.db2.gz CKTSUBAXIYJTOJ-UHFFFAOYSA-N -1 1 393.446 3.407 20 5 GGBDMM CCCNc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000736487459 1428871616 /nfs/dbraw/zinc/87/16/16/1428871616.db2.gz FSMRUOKXTZTXKC-UHFFFAOYSA-N -1 1 381.396 3.158 20 5 GGBDMM Cc1ccc(Oc2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)nn1 ZINC000822266610 1428875331 /nfs/dbraw/zinc/87/53/31/1428875331.db2.gz FEHZYXQFLNDFJW-UHFFFAOYSA-N -1 1 390.363 3.409 20 5 GGBDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3C)cc2C[C@H]1C ZINC000125930632 1415315840 /nfs/dbraw/zinc/31/58/40/1415315840.db2.gz CZWWRARRGOJIJP-LLVKDONJSA-N -1 1 389.433 3.002 20 5 GGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(F)cccc1N1CCCC1 ZINC000127281541 1415716423 /nfs/dbraw/zinc/71/64/23/1415716423.db2.gz RHWFAEFLPBZFBC-UHFFFAOYSA-N -1 1 395.412 3.144 20 5 GGBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1Br ZINC000127448406 1415782945 /nfs/dbraw/zinc/78/29/45/1415782945.db2.gz RVTPCIAHCOUNJB-UHFFFAOYSA-N -1 1 375.175 3.297 20 5 GGBDMM COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc([N+](=O)[O-])c[n-]c4=O)CC3)c2c1 ZINC000127787203 1415850462 /nfs/dbraw/zinc/85/04/62/1415850462.db2.gz MOKHPDDZNIAUGZ-UHFFFAOYSA-N -1 1 394.387 3.115 20 5 GGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000737264439 1429017342 /nfs/dbraw/zinc/01/73/42/1429017342.db2.gz PYEVDHUNEDXCMQ-UHFFFAOYSA-N -1 1 386.799 3.308 20 5 GGBDMM CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376397 1429028392 /nfs/dbraw/zinc/02/83/92/1429028392.db2.gz GJNNZADSCSMTTM-UHFFFAOYSA-N -1 1 386.799 3.024 20 5 GGBDMM CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826230963 1429018768 /nfs/dbraw/zinc/01/87/68/1429018768.db2.gz QQXVSTCCFAPNPF-SNVBAGLBSA-N -1 1 385.405 3.415 20 5 GGBDMM Cc1c(CN2CCSCC2)cccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000128487389 1415998193 /nfs/dbraw/zinc/99/81/93/1415998193.db2.gz NTVHIKBCICYHID-UHFFFAOYSA-N -1 1 387.461 3.410 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000738360276 1429037768 /nfs/dbraw/zinc/03/77/68/1429037768.db2.gz USFSFFRHJZBLSE-AWEZNQCLSA-N -1 1 395.206 3.227 20 5 GGBDMM O=C(c1ccc([O-])cc1)C1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000128637751 1416030967 /nfs/dbraw/zinc/03/09/67/1416030967.db2.gz UJQDVTIVICNPLG-UHFFFAOYSA-N -1 1 395.415 3.284 20 5 GGBDMM C[C@@H](O)C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000128909271 1416099641 /nfs/dbraw/zinc/09/96/41/1416099641.db2.gz FIKMMIMDFPYUNY-TZMCWYRMSA-N -1 1 398.868 3.081 20 5 GGBDMM CC(C)(C)c1nc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cs1 ZINC000130192525 1416336784 /nfs/dbraw/zinc/33/67/84/1416336784.db2.gz GMHIKLLCDYFXSI-UHFFFAOYSA-N -1 1 387.458 3.009 20 5 GGBDMM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000823444693 1429088430 /nfs/dbraw/zinc/08/84/30/1429088430.db2.gz NOAFDLFEEAIUNM-UHFFFAOYSA-N -1 1 379.254 3.013 20 5 GGBDMM O=C(c1ccc2ccccc2c1[O-])N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000130316514 1416356678 /nfs/dbraw/zinc/35/66/78/1416356678.db2.gz IZFMSKQZZYPAAA-UHFFFAOYSA-N -1 1 377.400 3.416 20 5 GGBDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c1 ZINC000130386800 1416369006 /nfs/dbraw/zinc/36/90/06/1416369006.db2.gz OCBNSPFPPBSIIZ-UHFFFAOYSA-N -1 1 383.813 3.316 20 5 GGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(=O)ccc2c1 ZINC000130567537 1416400428 /nfs/dbraw/zinc/40/04/28/1416400428.db2.gz LDTXPRSYXNMQLQ-UHFFFAOYSA-N -1 1 394.792 3.464 20 5 GGBDMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cc1 ZINC000130590395 1416405484 /nfs/dbraw/zinc/40/54/84/1416405484.db2.gz LLZNRUDWNYIXGC-UHFFFAOYSA-N -1 1 397.840 3.340 20 5 GGBDMM COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)N1CCCCC1 ZINC000130760819 1416444437 /nfs/dbraw/zinc/44/44/37/1416444437.db2.gz MGKPHYMELDASAC-SFHVURJKSA-N -1 1 399.447 3.266 20 5 GGBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OC(F)F)c1 ZINC000132324497 1416736396 /nfs/dbraw/zinc/73/63/96/1416736396.db2.gz CSWKDZMSGYCFRU-UHFFFAOYSA-N -1 1 376.312 3.445 20 5 GGBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2cc[nH]n2)cc1 ZINC000132332413 1416738145 /nfs/dbraw/zinc/73/81/45/1416738145.db2.gz GKKHCRBBOPQQEV-UHFFFAOYSA-N -1 1 376.369 3.233 20 5 GGBDMM Cc1ccc([C@@H](C)OC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822230830 1429142470 /nfs/dbraw/zinc/14/24/70/1429142470.db2.gz RMMAURBJNIUEIC-OLZOCXBDSA-N -1 1 397.391 3.155 20 5 GGBDMM Cc1sc2ncn([N-]C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)c(=O)c2c1C ZINC000134524821 1417081680 /nfs/dbraw/zinc/08/16/80/1417081680.db2.gz CEAVWADRHDLOPD-UHFFFAOYSA-N -1 1 378.797 3.020 20 5 GGBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c2C)o1 ZINC000135405102 1417215411 /nfs/dbraw/zinc/21/54/11/1417215411.db2.gz LSMWKXMDXIPAEW-UHFFFAOYSA-N -1 1 376.394 3.304 20 5 GGBDMM COc1cc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000135504294 1417230045 /nfs/dbraw/zinc/23/00/45/1417230045.db2.gz RURMVINVMSJHPG-UHFFFAOYSA-N -1 1 398.347 3.218 20 5 GGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2nc(C(F)F)[nH]c2c1 ZINC000135516682 1417231733 /nfs/dbraw/zinc/23/17/33/1417231733.db2.gz OZMZLMPXISAEIW-UHFFFAOYSA-N -1 1 398.347 3.218 20 5 GGBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)c2C)o1 ZINC000178812760 1429177862 /nfs/dbraw/zinc/17/78/62/1429177862.db2.gz GXJOIJBXUWQQGX-UHFFFAOYSA-N -1 1 376.394 3.304 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000146252286 1417713283 /nfs/dbraw/zinc/71/32/83/1417713283.db2.gz MAPIIAIEKGELFV-KBXCAEBGSA-N -1 1 394.424 3.180 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCOCCc1ccccc1 ZINC000146914371 1417733708 /nfs/dbraw/zinc/73/37/08/1417733708.db2.gz OULCZPYKFSFVEN-UHFFFAOYSA-N -1 1 398.868 3.176 20 5 GGBDMM O=C(C=Cc1ccccc1F)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826403100 1429218978 /nfs/dbraw/zinc/21/89/78/1429218978.db2.gz JVFWXRJBQRMKIV-AATRIKPKSA-N -1 1 388.746 3.219 20 5 GGBDMM Cc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000152236609 1418180566 /nfs/dbraw/zinc/18/05/66/1418180566.db2.gz FXYSGJLMXQYLJX-UHFFFAOYSA-N -1 1 390.339 3.122 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823634208 1429281496 /nfs/dbraw/zinc/28/14/96/1429281496.db2.gz CYONZLAVSGEJQN-UHFFFAOYSA-N -1 1 394.160 3.256 20 5 GGBDMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1 ZINC000179188630 1429289530 /nfs/dbraw/zinc/28/95/30/1429289530.db2.gz AAUHDSKTUGZNTJ-UHFFFAOYSA-N -1 1 381.385 3.192 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(COc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826497920 1429383809 /nfs/dbraw/zinc/38/38/09/1429383809.db2.gz YQPPRKQVHFZZNJ-UHFFFAOYSA-N -1 1 399.754 3.057 20 5 GGBDMM CC(=CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942287 1429397083 /nfs/dbraw/zinc/39/70/83/1429397083.db2.gz AOWBWKQTMWEKOW-UKVQZPPCSA-N -1 1 378.392 3.056 20 5 GGBDMM O=[N+]([O-])c1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)c(Br)c1 ZINC000738366930 1429397766 /nfs/dbraw/zinc/39/77/66/1429397766.db2.gz KXEQQSDQNNLWMM-UHFFFAOYSA-N -1 1 394.160 3.256 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)Cc3ccc(F)cc3)n[nH]2)c1 ZINC000153189032 1422386413 /nfs/dbraw/zinc/38/64/13/1422386413.db2.gz LAXZBANOFILCBH-UHFFFAOYSA-N -1 1 376.369 3.066 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1F ZINC000153189756 1422386700 /nfs/dbraw/zinc/38/67/00/1422386700.db2.gz WJVKZVNLAAMHNU-UHFFFAOYSA-N -1 1 376.369 3.233 20 5 GGBDMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3C)ccc21 ZINC000153349161 1422484366 /nfs/dbraw/zinc/48/43/66/1422484366.db2.gz HVIQVTAHNAUSKU-UHFFFAOYSA-N -1 1 389.433 3.003 20 5 GGBDMM O=[N+]([O-])c1ccc(F)c(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000738371739 1429585738 /nfs/dbraw/zinc/58/57/38/1429585738.db2.gz XPEBDCKJPILMMC-UHFFFAOYSA-N -1 1 393.791 3.376 20 5 GGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(CN2CCCCC2)c1 ZINC000153844569 1422794403 /nfs/dbraw/zinc/79/44/03/1422794403.db2.gz DBIRDVSZCSLXHF-UHFFFAOYSA-N -1 1 375.450 3.382 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)cc([N+](=O)[O-])c1F ZINC000154250707 1422862110 /nfs/dbraw/zinc/86/21/10/1422862110.db2.gz OJRUUPKUAGOJIN-UHFFFAOYSA-N -1 1 377.353 3.498 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)cc([N+](=O)[O-])c1F ZINC000154269484 1422864501 /nfs/dbraw/zinc/86/45/01/1422864501.db2.gz XHSXTISNDRWZCZ-UHFFFAOYSA-N -1 1 376.312 3.445 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)cc([N+](=O)[O-])c1F ZINC000154273589 1422865290 /nfs/dbraw/zinc/86/52/90/1422865290.db2.gz XHMRZQZBOUPJIO-UHFFFAOYSA-N -1 1 376.369 3.233 20 5 GGBDMM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3ccccc3Cl)C2)c(-c2nnn[n-]2)c1 ZINC000738368306 1429623072 /nfs/dbraw/zinc/62/30/72/1429623072.db2.gz BTHINXLEVLLALK-MRXNPFEDSA-N -1 1 386.799 3.006 20 5 GGBDMM Cc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000822284296 1423237681 /nfs/dbraw/zinc/23/76/81/1423237681.db2.gz NTNXSGFUNDWNIB-UHFFFAOYSA-N -1 1 392.297 3.354 20 5 GGBDMM COCCn1ccc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc21 ZINC000179888716 1429625694 /nfs/dbraw/zinc/62/56/94/1429625694.db2.gz OJQHSTWDCMTAHD-UHFFFAOYSA-N -1 1 389.433 3.305 20 5 GGBDMM O=[N+]([O-])c1cc(NCCOc2cccc3ccccc32)ccc1-c1nnn[n-]1 ZINC000826498499 1423343828 /nfs/dbraw/zinc/34/38/28/1423343828.db2.gz XKEREBWEYTZRFJ-UHFFFAOYSA-N -1 1 376.376 3.419 20 5 GGBDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1nc2cc(Cl)ccc2[nH]1 ZINC000736140350 1423378154 /nfs/dbraw/zinc/37/81/54/1423378154.db2.gz UIFPLPFNPSIUAU-MRVPVSSYSA-N -1 1 384.787 3.478 20 5 GGBDMM CCCNc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000821123359 1423400133 /nfs/dbraw/zinc/40/01/33/1423400133.db2.gz PSMGLBKLARTRHO-UHFFFAOYSA-N -1 1 381.396 3.158 20 5 GGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822201273 1423408772 /nfs/dbraw/zinc/40/87/72/1423408772.db2.gz YFRUCHADQZAYAO-UHFFFAOYSA-N -1 1 394.725 3.267 20 5 GGBDMM Cc1cc(Br)ccc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737231634 1423425055 /nfs/dbraw/zinc/42/50/55/1423425055.db2.gz RNFYZWPDKJHBSS-UHFFFAOYSA-N -1 1 389.213 3.458 20 5 GGBDMM CCc1cc(-c2nnn[n-]2)c(NC(=O)C=C(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000825694204 1423470559 /nfs/dbraw/zinc/47/05/59/1423470559.db2.gz NBLBMFFUBIQJMT-CSKARUKUSA-N -1 1 384.421 3.441 20 5 GGBDMM Cc1ccc([C@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822230381 1423709702 /nfs/dbraw/zinc/70/97/02/1423709702.db2.gz FAXJXQAPHLUKIJ-LXKVQUBZSA-N -1 1 379.376 3.401 20 5 GGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737262642 1423770102 /nfs/dbraw/zinc/77/01/02/1423770102.db2.gz FINQVUAOBZLZOL-SREVYHEPSA-N -1 1 385.767 3.356 20 5 GGBDMM COCCCCN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821686890 1423859443 /nfs/dbraw/zinc/85/94/43/1423859443.db2.gz DJAVXWHDMMKFQH-UHFFFAOYSA-N -1 1 382.424 3.208 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1sccc1Br ZINC000157154951 1423938861 /nfs/dbraw/zinc/93/88/61/1423938861.db2.gz XBUSAJYGVWAHAE-UHFFFAOYSA-N -1 1 395.231 3.036 20 5 GGBDMM CC(C)CCSc1ccc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000124378455 1423959048 /nfs/dbraw/zinc/95/90/48/1423959048.db2.gz NVOCCYWHWKXUOB-LBPRGKRZSA-N -1 1 392.485 3.122 20 5 GGBDMM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000822176559 1423964067 /nfs/dbraw/zinc/96/40/67/1423964067.db2.gz KXNNYUADPPBRHH-UHFFFAOYSA-N -1 1 392.297 3.354 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1OCc1ccc(-c2nnn[n-]2)cc1F ZINC000738361759 1429688192 /nfs/dbraw/zinc/68/81/92/1429688192.db2.gz ZWQGVFYHSVBSPM-UHFFFAOYSA-N -1 1 394.160 3.256 20 5 GGBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)CCc3ccccc3[N+](=O)[O-])c2C)o1 ZINC000157374617 1423996943 /nfs/dbraw/zinc/99/69/43/1423996943.db2.gz CMQHDRKEKGUXLM-UHFFFAOYSA-N -1 1 390.421 3.179 20 5 GGBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccnc1-c1ccccc1 ZINC000157404524 1424004236 /nfs/dbraw/zinc/00/42/36/1424004236.db2.gz WCSNOHWYIIXRNO-UHFFFAOYSA-N -1 1 385.401 3.472 20 5 GGBDMM CC[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1cccc([N+](=O)[O-])c1 ZINC000820919490 1424135535 /nfs/dbraw/zinc/13/55/35/1424135535.db2.gz DEJVHAYXOYSSIZ-HNNXBMFYSA-N -1 1 381.396 3.356 20 5 GGBDMM CCN(C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385621 1424143801 /nfs/dbraw/zinc/14/38/01/1424143801.db2.gz ODNKHICNKUGDKZ-UHFFFAOYSA-N -1 1 378.801 3.157 20 5 GGBDMM O=[N+]([O-])c1cc(F)cc(OCc2ccc(-c3nnn[n-]3)cc2Br)c1 ZINC000826498194 1424216754 /nfs/dbraw/zinc/21/67/54/1424216754.db2.gz KVGPUNFXKMNWSW-UHFFFAOYSA-N -1 1 394.160 3.256 20 5 GGBDMM Cc1cnc([C@H](C)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000822389403 1429714338 /nfs/dbraw/zinc/71/43/38/1429714338.db2.gz VCUBVECCZYYSQU-VIFPVBQESA-N -1 1 382.409 3.261 20 5 GGBDMM O=[N+]([O-])c1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1OC(F)F ZINC000823639960 1424398118 /nfs/dbraw/zinc/39/81/18/1424398118.db2.gz NNRUOZAOKAHKBC-UHFFFAOYSA-N -1 1 380.286 3.128 20 5 GGBDMM CC(C)CCSc1ccc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000124378284 1424409803 /nfs/dbraw/zinc/40/98/03/1424409803.db2.gz NVOCCYWHWKXUOB-GFCCVEGCSA-N -1 1 392.485 3.122 20 5 GGBDMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)on1 ZINC000180086600 1429730881 /nfs/dbraw/zinc/73/08/81/1429730881.db2.gz CQKHNNQTQIIKHW-UHFFFAOYSA-N -1 1 385.417 3.412 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1([C@@H](O)c2ccccc2)CC1 ZINC000159288735 1424474488 /nfs/dbraw/zinc/47/44/88/1424474488.db2.gz GCBCJNCJODPXEN-INIZCTEOSA-N -1 1 396.852 3.040 20 5 GGBDMM CC(C)OC1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000159387667 1424498855 /nfs/dbraw/zinc/49/88/55/1424498855.db2.gz HSMMUTTXUPGOFC-UHFFFAOYSA-N -1 1 376.862 3.263 20 5 GGBDMM COc1ccc([C@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)N2CCCCC2)cc1 ZINC000159888926 1424550019 /nfs/dbraw/zinc/55/00/19/1424550019.db2.gz UTBBHEREOIOVRS-IBGZPJMESA-N -1 1 399.447 3.266 20 5 GGBDMM CC[C@@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820920351 1424571283 /nfs/dbraw/zinc/57/12/83/1424571283.db2.gz PFRQWVXZUQRDPN-QGZVFWFLSA-N -1 1 395.423 3.068 20 5 GGBDMM Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160188163 1424585201 /nfs/dbraw/zinc/58/52/01/1424585201.db2.gz SHYNHRVQLJOKHB-UHFFFAOYSA-N -1 1 387.461 3.410 20 5 GGBDMM O=[N+]([O-])c1ccc(N2CCC(OCCc3ccccc3)CC2)cc1-c1nnn[n-]1 ZINC000826499049 1429737932 /nfs/dbraw/zinc/73/79/32/1429737932.db2.gz TXNKZQMVNAZDAJ-UHFFFAOYSA-N -1 1 394.435 3.003 20 5 GGBDMM CC(C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[nH]n1 ZINC000160641127 1424622012 /nfs/dbraw/zinc/62/20/12/1424622012.db2.gz DEAREQBGGUFAHJ-UHFFFAOYSA-N -1 1 389.231 3.005 20 5 GGBDMM Cc1c(NC(=O)[C@@H](C)O[N-]C(=O)CCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000160774226 1424634391 /nfs/dbraw/zinc/63/43/91/1424634391.db2.gz HMYUKYYVEKUDOL-OAHLLOKOSA-N -1 1 385.420 3.301 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(OC2CCCCC2)cc1 ZINC000823624785 1424712938 /nfs/dbraw/zinc/71/29/38/1424712938.db2.gz JKBBGGIYZJIFGT-UHFFFAOYSA-N -1 1 395.423 3.494 20 5 GGBDMM O=[N+]([O-])c1cnc(N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000738368666 1424855427 /nfs/dbraw/zinc/85/54/27/1424855427.db2.gz HVTFPRLFVSLQDA-MFKMUULPSA-N -1 1 391.313 3.157 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000823620010 1424928720 /nfs/dbraw/zinc/92/87/20/1424928720.db2.gz GHXUPSXYHIEYKT-CMPLNLGQSA-N -1 1 391.313 3.157 20 5 GGBDMM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccc2ccccc2n1 ZINC000826450949 1424933144 /nfs/dbraw/zinc/93/31/44/1424933144.db2.gz JSYMRVNKOOTJBJ-UHFFFAOYSA-N -1 1 395.766 3.229 20 5 GGBDMM CN(Cc1ccc(Cl)c(Cl)c1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821609797 1425000000 /nfs/dbraw/zinc/00/00/00/1425000000.db2.gz MCKHCLWTDFLYCC-UHFFFAOYSA-N -1 1 380.195 3.113 20 5 GGBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826263543 1425051858 /nfs/dbraw/zinc/05/18/58/1425051858.db2.gz GPSLVFYEDHOYOM-CYBMUJFWSA-N -1 1 380.408 3.191 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000180161662 1429772935 /nfs/dbraw/zinc/77/29/35/1429772935.db2.gz IBARPJUQXZUKIE-UHFFFAOYSA-N -1 1 389.433 3.242 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2noc(COc3cc(Cl)ccc3-c3nn[n-]n3)n2)c1 ZINC000823645497 1425153768 /nfs/dbraw/zinc/15/37/68/1425153768.db2.gz RRBWKMAVRWSENC-UHFFFAOYSA-N -1 1 399.754 3.057 20 5 GGBDMM O=[N+]([O-])c1ccc(Sc2cc3c(cc2Cl)OCCO3)c(-c2nnn[n-]2)c1 ZINC000738367304 1425189240 /nfs/dbraw/zinc/18/92/40/1425189240.db2.gz QEGRAMKDDIJEHW-UHFFFAOYSA-N -1 1 391.796 3.351 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826497279 1425328238 /nfs/dbraw/zinc/32/82/38/1425328238.db2.gz ASALDWLIPVVSDR-LBPRGKRZSA-N -1 1 383.387 3.083 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2noc(CSc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000823635292 1425397781 /nfs/dbraw/zinc/39/77/81/1425397781.db2.gz UXRUTDYMXDOVQU-UHFFFAOYSA-N -1 1 381.377 3.117 20 5 GGBDMM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1-n1cccn1 ZINC000820461600 1425444761 /nfs/dbraw/zinc/44/47/61/1425444761.db2.gz NNJCXYIJOPDWTP-LBPRGKRZSA-N -1 1 376.380 3.134 20 5 GGBDMM CC[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1nccs1 ZINC000820926324 1425445068 /nfs/dbraw/zinc/44/50/68/1425445068.db2.gz QWGDWYSSJXSVTM-GFCCVEGCSA-N -1 1 382.409 3.343 20 5 GGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000171208897 1425540958 /nfs/dbraw/zinc/54/09/58/1425540958.db2.gz JQYRQZPNUADFLZ-CQSZACIVSA-N -1 1 398.202 3.216 20 5 GGBDMM O=[N+]([O-])c1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c(F)c1 ZINC000823645981 1425554688 /nfs/dbraw/zinc/55/46/88/1425554688.db2.gz YXFXOPYQHHOVBK-UHFFFAOYSA-N -1 1 381.270 3.094 20 5 GGBDMM O=[N+]([O-])c1cnc(Nc2cccc(Oc3ccncc3)c2)c(-c2nnn[n-]2)c1 ZINC000738374204 1425575055 /nfs/dbraw/zinc/57/50/55/1425575055.db2.gz KXOANGUNEPZNSN-UHFFFAOYSA-N -1 1 376.336 3.101 20 5 GGBDMM Cc1cccc(NC2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)c1 ZINC000737400617 1425612613 /nfs/dbraw/zinc/61/26/13/1425612613.db2.gz XGASAVOGJOHIRU-UHFFFAOYSA-N -1 1 379.424 3.164 20 5 GGBDMM Cc1ccc(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826291746 1425666375 /nfs/dbraw/zinc/66/63/75/1425666375.db2.gz UMVACKHWFZRGFN-UHFFFAOYSA-N -1 1 397.391 3.238 20 5 GGBDMM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cc(-c2cccs2)on1 ZINC000171484551 1425701493 /nfs/dbraw/zinc/70/14/93/1425701493.db2.gz JJMQOSWFUNYKPD-UHFFFAOYSA-N -1 1 382.361 3.349 20 5 GGBDMM O=[N+]([O-])c1cc2cnn(Cc3cn4ccccc4c3-c3nnn[n-]3)c2c(Cl)c1 ZINC000826497331 1425702834 /nfs/dbraw/zinc/70/28/34/1425702834.db2.gz CXMXCPVARLBNEJ-UHFFFAOYSA-N -1 1 394.782 3.079 20 5 GGBDMM O=[N+]([O-])c1ccc(NCCOc2cccc3ccccc32)cc1-c1nnn[n-]1 ZINC000826498666 1425715825 /nfs/dbraw/zinc/71/58/25/1425715825.db2.gz DYQHUZNYAYQMQL-UHFFFAOYSA-N -1 1 376.376 3.419 20 5 GGBDMM CC(C)[C@@H]1OCCC[C@H]1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820047308 1425840423 /nfs/dbraw/zinc/84/04/23/1425840423.db2.gz XBEGZUMLCSQVBP-SGTLLEGYSA-N -1 1 397.439 3.186 20 5 GGBDMM O=[N+]([O-])c1cnc(N2CCC[C@@H](CCCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000826500747 1425936457 /nfs/dbraw/zinc/93/64/57/1425936457.db2.gz KUBZJPZWJCPBFE-MRXNPFEDSA-N -1 1 393.451 3.409 20 5 GGBDMM O=[N+]([O-])c1cc(NCCNc2ncc(Cl)cc2Cl)ccc1-c1nn[n-]n1 ZINC000823634430 1426002994 /nfs/dbraw/zinc/00/29/94/1426002994.db2.gz FDAWYYLFQVMIAL-UHFFFAOYSA-N -1 1 395.210 3.001 20 5 GGBDMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000172361688 1426014618 /nfs/dbraw/zinc/01/46/18/1426014618.db2.gz FOTSKZUZOZOBBP-UHFFFAOYSA-N -1 1 395.444 3.414 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)c(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000823640105 1426081501 /nfs/dbraw/zinc/08/15/01/1426081501.db2.gz SNWIJFQEJLZZIE-UHFFFAOYSA-N -1 1 399.754 3.057 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N3CCc4c(F)cccc4C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499826 1426133181 /nfs/dbraw/zinc/13/31/81/1426133181.db2.gz ZGBGFIYRRNYONR-UHFFFAOYSA-N -1 1 391.366 3.025 20 5 GGBDMM Cc1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c([N+](=O)[O-])c1 ZINC000822262751 1426215132 /nfs/dbraw/zinc/21/51/32/1426215132.db2.gz FBJAQABMNCABPY-UHFFFAOYSA-N -1 1 377.307 3.264 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCCC[C@@H]3CCCC[C@@H]3O)cc(-c3nnn[n-]3)c2c1 ZINC000823644696 1426233618 /nfs/dbraw/zinc/23/36/18/1426233618.db2.gz KPDFVXALTGAWTD-SJCJKPOMSA-N -1 1 397.439 3.066 20 5 GGBDMM Cc1ccc(Oc2ccc(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])cc2)nn1 ZINC000822267448 1426257011 /nfs/dbraw/zinc/25/70/11/1426257011.db2.gz UDHNCJLYBVHWDW-UHFFFAOYSA-N -1 1 390.363 3.409 20 5 GGBDMM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000823449702 1426303443 /nfs/dbraw/zinc/30/34/43/1426303443.db2.gz AHAOKURAPRZFMN-UHFFFAOYSA-N -1 1 385.336 3.348 20 5 GGBDMM C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820391112 1426309845 /nfs/dbraw/zinc/30/98/45/1426309845.db2.gz NFZGBMIFMQEOJX-SNVBAGLBSA-N -1 1 394.416 3.481 20 5 GGBDMM COc1cc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000826179278 1426318889 /nfs/dbraw/zinc/31/88/89/1426318889.db2.gz HSDCVBQYMNWKLZ-UHFFFAOYSA-N -1 1 394.313 3.414 20 5 GGBDMM Cc1ccc([C@@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822230380 1426401012 /nfs/dbraw/zinc/40/10/12/1426401012.db2.gz FAXJXQAPHLUKIJ-ASCRHOAZSA-N -1 1 379.376 3.401 20 5 GGBDMM C[C@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820500333 1426409789 /nfs/dbraw/zinc/40/97/89/1426409789.db2.gz DGJUWUCARZKDBV-LBPRGKRZSA-N -1 1 392.375 3.034 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2nc(CSc3ccc(-c4nn[n-]n4)cn3)co2)cc1 ZINC000826498321 1426476925 /nfs/dbraw/zinc/47/69/25/1426476925.db2.gz PNVUNAUVSREVAF-UHFFFAOYSA-N -1 1 381.377 3.117 20 5 GGBDMM O=[N+]([O-])c1cnc(N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000738368664 1426492987 /nfs/dbraw/zinc/49/29/87/1426492987.db2.gz HVTFPRLFVSLQDA-GWCFXTLKSA-N -1 1 391.313 3.157 20 5 GGBDMM CC(C)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817815 1426516310 /nfs/dbraw/zinc/51/63/10/1426516310.db2.gz FBPLDIRKUBRVMM-UHFFFAOYSA-N -1 1 384.371 3.217 20 5 GGBDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000826243586 1426529604 /nfs/dbraw/zinc/52/96/04/1426529604.db2.gz NPLIICFBGWGKNT-UHFFFAOYSA-N -1 1 386.799 3.009 20 5 GGBDMM COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000173380548 1426554971 /nfs/dbraw/zinc/55/49/71/1426554971.db2.gz LBNPQEQMXDFPLN-LBPRGKRZSA-N -1 1 382.413 3.215 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1cc(Br)ccc1Cl ZINC000826497462 1426568249 /nfs/dbraw/zinc/56/82/49/1426568249.db2.gz IBFIGNKKHUQXAL-UHFFFAOYSA-N -1 1 397.576 3.378 20 5 GGBDMM O=[N+]([O-])c1ccccc1CN(CCCOc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826500422 1426598755 /nfs/dbraw/zinc/59/87/55/1426598755.db2.gz YCVFRZCIZFIIIZ-UHFFFAOYSA-N -1 1 394.435 3.208 20 5 GGBDMM O=[N+]([O-])c1ccccc1CN(CCCOc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826500422 1426598764 /nfs/dbraw/zinc/59/87/64/1426598764.db2.gz YCVFRZCIZFIIIZ-UHFFFAOYSA-N -1 1 394.435 3.208 20 5 GGBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820557328 1426615709 /nfs/dbraw/zinc/61/57/09/1426615709.db2.gz YKUZVPJVHFZBFX-SECBINFHSA-N -1 1 388.384 3.033 20 5 GGBDMM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000824507210 1426643258 /nfs/dbraw/zinc/64/32/58/1426643258.db2.gz VMALRYFORWTTDQ-SECBINFHSA-N -1 1 387.787 3.311 20 5 GGBDMM CCOC(=O)c1cc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000821337503 1426785939 /nfs/dbraw/zinc/78/59/39/1426785939.db2.gz IFKLGHJUMAJQGM-LLVKDONJSA-N -1 1 382.380 3.125 20 5 GGBDMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173685251 1426820932 /nfs/dbraw/zinc/82/09/32/1426820932.db2.gz FLCAALVUBXCIIR-AWEZNQCLSA-N -1 1 378.388 3.175 20 5 GGBDMM CC(C)(C)c1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(-c2nnn[n-]2)s1 ZINC000824131139 1426825473 /nfs/dbraw/zinc/82/54/73/1426825473.db2.gz UKXFFNJGFKZQMS-UHFFFAOYSA-N -1 1 386.437 3.315 20 5 GGBDMM C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Oc1ccccc1Cl ZINC000173711198 1426828551 /nfs/dbraw/zinc/82/85/51/1426828551.db2.gz MJNUWDBPCLIPNX-SNVBAGLBSA-N -1 1 388.804 3.133 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2ccc(CNCc3cc(-c4nnn[n-]4)ccc3F)o2)c1 ZINC000823644676 1426857186 /nfs/dbraw/zinc/85/71/86/1426857186.db2.gz KEUDMNRLEDCARQ-UHFFFAOYSA-N -1 1 394.366 3.464 20 5 GGBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825675203 1426946557 /nfs/dbraw/zinc/94/65/57/1426946557.db2.gz ZQCUBMYCRXSCGK-UHFFFAOYSA-N -1 1 398.448 3.159 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1CCC(F)(F)CC1 ZINC000826450325 1426973437 /nfs/dbraw/zinc/97/34/37/1426973437.db2.gz GWGJJNVLEQSERV-UHFFFAOYSA-N -1 1 386.746 3.192 20 5 GGBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc(C2CCCCC2)no1 ZINC000174065540 1426983640 /nfs/dbraw/zinc/98/36/40/1426983640.db2.gz WJNKTHSMXUOQBL-NSHDSACASA-N -1 1 380.426 3.065 20 5 GGBDMM C[C@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000824712558 1426990771 /nfs/dbraw/zinc/99/07/71/1426990771.db2.gz AWKBMMPHVTVVNP-NSHDSACASA-N -1 1 392.375 3.103 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c2nsnc2ccc1Cl ZINC000174266460 1427076130 /nfs/dbraw/zinc/07/61/30/1427076130.db2.gz XFGGVHFTWIKPKR-UHFFFAOYSA-N -1 1 384.826 3.362 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCCCOC3CCCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000738367026 1427122995 /nfs/dbraw/zinc/12/29/95/1427122995.db2.gz NTEHXGMGPXSNGQ-UHFFFAOYSA-N -1 1 397.439 3.474 20 5 GGBDMM O=[N+]([O-])c1cccc(Br)c1OCc1ccc(-c2nnn[n-]2)cc1 ZINC000823646823 1427203343 /nfs/dbraw/zinc/20/33/43/1427203343.db2.gz AVDNUNUYXNBYRC-UHFFFAOYSA-N -1 1 376.170 3.116 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccccc1OC1CCCC1 ZINC000823624565 1427288229 /nfs/dbraw/zinc/28/82/29/1427288229.db2.gz CRABWGZVPSMQGF-UHFFFAOYSA-N -1 1 381.396 3.103 20 5 GGBDMM COc1cccc([C@H]2C[C@@H](C)CN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000826215770 1427368998 /nfs/dbraw/zinc/36/89/98/1427368998.db2.gz YNLCMIXSEFCDEA-SJKOYZFVSA-N -1 1 380.408 3.371 20 5 GGBDMM CC(C)(C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000735581548 1427418473 /nfs/dbraw/zinc/41/84/73/1427418473.db2.gz XGERGADUSAEPMS-UHFFFAOYSA-N -1 1 386.799 3.345 20 5 GGBDMM CCOc1cc(-c2nnn[n-]2)ccc1OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000821394586 1427428492 /nfs/dbraw/zinc/42/84/92/1427428492.db2.gz MHKDJPHRQNZUHD-UHFFFAOYSA-N -1 1 375.772 3.406 20 5 GGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CCCC(=O)N2 ZINC000175018998 1427502208 /nfs/dbraw/zinc/50/22/08/1427502208.db2.gz JMPNYHSPDXYQLX-UHFFFAOYSA-N -1 1 389.433 3.287 20 5 GGBDMM O=C(OCc1csc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823440245 1427539684 /nfs/dbraw/zinc/53/96/84/1427539684.db2.gz JQIMGBAEMDBZBN-UHFFFAOYSA-N -1 1 399.310 3.212 20 5 GGBDMM O=[N+]([O-])c1cnc(NC2CCC(c3ccc(F)cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000826500716 1427590055 /nfs/dbraw/zinc/59/00/55/1427590055.db2.gz JOHGKTMSRDHNPG-UHFFFAOYSA-N -1 1 383.387 3.447 20 5 GGBDMM O=[N+]([O-])c1ccc(Nc2ccc(OCC3CCOCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000738368914 1427640079 /nfs/dbraw/zinc/64/00/79/1427640079.db2.gz FPRCRZHHRCRHLE-UHFFFAOYSA-N -1 1 396.407 3.324 20 5 GGBDMM CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736741115 1427683837 /nfs/dbraw/zinc/68/38/37/1427683837.db2.gz AFMDCRYAOGADSE-UHFFFAOYSA-N -1 1 398.398 3.488 20 5 GGBDMM O=C(COc1ccc([N+](=O)[O-])c2ccccc12)Nc1sccc1-c1nnn[n-]1 ZINC000823040538 1427710233 /nfs/dbraw/zinc/71/02/33/1427710233.db2.gz MVYUPFDXCVAORG-UHFFFAOYSA-N -1 1 396.388 3.007 20 5 GGBDMM CN(C)c1cccc([C@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1 ZINC000825879751 1427837768 /nfs/dbraw/zinc/83/77/68/1427837768.db2.gz QZSZOFUGJNOCTO-QGZVFWFLSA-N -1 1 379.424 3.182 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cccc4cccnc43)[nH]n2)c1 ZINC000175639928 1427840981 /nfs/dbraw/zinc/84/09/81/1427840981.db2.gz XCCHRWJWQWAOCK-UHFFFAOYSA-N -1 1 395.400 3.334 20 5 GGBDMM CC(C)NC(=O)c1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000820136886 1427843385 /nfs/dbraw/zinc/84/33/85/1427843385.db2.gz CYXHZOWYKLZFQY-GFCCVEGCSA-N -1 1 395.423 3.086 20 5 GGBDMM CCN(C(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825380756 1427864439 /nfs/dbraw/zinc/86/44/39/1427864439.db2.gz SOQXFZVVMNNMRI-UHFFFAOYSA-N -1 1 386.799 3.403 20 5 GGBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)c1 ZINC000175827515 1427914126 /nfs/dbraw/zinc/91/41/26/1427914126.db2.gz IBEZRGLEKIMPRZ-UHFFFAOYSA-N -1 1 387.783 3.149 20 5 GGBDMM O=[N+]([O-])c1c(NCc2ccco2)cc(NCc2ccco2)cc1-c1nnn[n-]1 ZINC000738360290 1427920221 /nfs/dbraw/zinc/92/02/21/1427920221.db2.gz VBLIGPDPGZEISC-UHFFFAOYSA-N -1 1 381.352 3.185 20 5 GGBDMM CN(C)c1cccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000736780944 1427932339 /nfs/dbraw/zinc/93/23/39/1427932339.db2.gz SGISNXKGBUWQFZ-INIZCTEOSA-N -1 1 379.424 3.182 20 5 GGBDMM COc1cc(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)ccc1[N+](=O)[O-] ZINC000826179246 1428032146 /nfs/dbraw/zinc/03/21/46/1428032146.db2.gz GLWQNXKHQQIKPF-UHFFFAOYSA-N -1 1 384.396 3.183 20 5 GGBDMM C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508827 1428039818 /nfs/dbraw/zinc/03/98/18/1428039818.db2.gz YNXFQYMFFWRVCD-SNVBAGLBSA-N -1 1 378.348 3.174 20 5 GGBDMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 ZINC000176056746 1428055636 /nfs/dbraw/zinc/05/56/36/1428055636.db2.gz NLNPURANGHKOMT-UHFFFAOYSA-N -1 1 381.385 3.192 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2nc(CNCc3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000738366682 1428088328 /nfs/dbraw/zinc/08/83/28/1428088328.db2.gz HJOSWOGLYMVDQI-UHFFFAOYSA-N -1 1 393.432 3.188 20 5 GGBDMM CN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569722 1428139786 /nfs/dbraw/zinc/13/97/86/1428139786.db2.gz TUHKFDSGZQKJAA-RUDMXATFSA-N -1 1 384.783 3.105 20 5 GGBDMM COC[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccc(C)o1 ZINC000821683487 1428172241 /nfs/dbraw/zinc/17/22/41/1428172241.db2.gz BRKKORDFNLPRPF-OAHLLOKOSA-N -1 1 395.379 3.024 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2nnc(CSc3ccc(-c4nnn[n-]4)cc3F)o2)cc1 ZINC000738360462 1429821166 /nfs/dbraw/zinc/82/11/66/1429821166.db2.gz PXFWKRLBRVJHIK-UHFFFAOYSA-N -1 1 399.367 3.256 20 5 GGBDMM CCc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000825704799 1429832945 /nfs/dbraw/zinc/83/29/45/1429832945.db2.gz NIPUQDWZMBNARN-UHFFFAOYSA-N -1 1 386.799 3.172 20 5 GGBDMM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000822983869 1429837763 /nfs/dbraw/zinc/83/77/63/1429837763.db2.gz VOJQEAFZWAOJAK-UHFFFAOYSA-N -1 1 398.448 3.287 20 5 GGBDMM Cc1ccc([C@H](C)NC(=S)Nc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822229051 1429917358 /nfs/dbraw/zinc/91/73/58/1429917358.db2.gz LEHCPZDEJJRRAC-NSHDSACASA-N -1 1 383.437 3.131 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000738359026 1429953480 /nfs/dbraw/zinc/95/34/80/1429953480.db2.gz ILLSJYZYRQUMKP-UHFFFAOYSA-N -1 1 393.176 3.289 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000826497554 1430012020 /nfs/dbraw/zinc/01/20/20/1430012020.db2.gz KZUXMJXCIPYPEP-AWEZNQCLSA-N -1 1 381.371 3.357 20 5 GGBDMM C[C@@H](c1ccccc1)n1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000820570734 1430051028 /nfs/dbraw/zinc/05/10/28/1430051028.db2.gz PUMRJNYDTMIFLJ-LBPRGKRZSA-N -1 1 376.380 3.324 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(OC2CCCC2)c(F)c1 ZINC000823624570 1430069969 /nfs/dbraw/zinc/06/99/69/1430069969.db2.gz CULFJZUZNKUZBW-UHFFFAOYSA-N -1 1 385.359 3.374 20 5 GGBDMM O=[N+]([O-])c1ccc([C@H](O)CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826498452 1430109305 /nfs/dbraw/zinc/10/93/05/1430109305.db2.gz VKZKZHVXGWUVQM-CYBMUJFWSA-N -1 1 377.813 3.254 20 5 GGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735912929 1430136430 /nfs/dbraw/zinc/13/64/30/1430136430.db2.gz JVHFSSXLWPGSDZ-UHFFFAOYSA-N -1 1 382.424 3.194 20 5 GGBDMM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1Cl ZINC000820455806 1430141663 /nfs/dbraw/zinc/14/16/63/1430141663.db2.gz NEXGNVVABYPOGA-GLEZIHRCSA-N -1 1 392.778 3.101 20 5 GGBDMM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000826472343 1430149135 /nfs/dbraw/zinc/14/91/35/1430149135.db2.gz HKUWBQQBHXHPDZ-UHFFFAOYSA-N -1 1 398.810 3.233 20 5 GGBDMM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000737947778 1430176427 /nfs/dbraw/zinc/17/64/27/1430176427.db2.gz NSQUEJHSVVEGNT-UHFFFAOYSA-N -1 1 390.812 3.159 20 5 GGBDMM C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1nc(-c2ccccc2)no1 ZINC000824436554 1430194280 /nfs/dbraw/zinc/19/42/80/1430194280.db2.gz UGPAYCKJYBABFY-LLVKDONJSA-N -1 1 392.379 3.041 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1SCc1ccnc(-c2nnn[n-]2)c1 ZINC000826497667 1430212497 /nfs/dbraw/zinc/21/24/97/1430212497.db2.gz PEBYRRQMZJZVOU-UHFFFAOYSA-N -1 1 393.226 3.225 20 5 GGBDMM Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181948173 1430387374 /nfs/dbraw/zinc/38/73/74/1430387374.db2.gz PAXHEHMEKYLLPC-UHFFFAOYSA-N -1 1 387.461 3.410 20 5 GGBDMM Cc1ccccc1CCc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[nH]n1 ZINC000182571576 1430495154 /nfs/dbraw/zinc/49/51/54/1430495154.db2.gz RXHLAAAADJDXCV-UHFFFAOYSA-N -1 1 386.433 3.212 20 5 GGBDMM C[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 ZINC000184606993 1430917955 /nfs/dbraw/zinc/91/79/55/1430917955.db2.gz UGYQPAHLLOCLAL-LBPRGKRZSA-N -1 1 394.453 3.206 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c2ncccc12 ZINC000184848676 1431002248 /nfs/dbraw/zinc/00/22/48/1431002248.db2.gz RRETZUKHTDDTTN-UHFFFAOYSA-N -1 1 383.307 3.361 20 5 GGBDMM Cc1c(=O)[n-]c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000185053730 1431050157 /nfs/dbraw/zinc/05/01/57/1431050157.db2.gz BNSYSQFTXMHCQR-UHFFFAOYSA-N -1 1 396.428 3.384 20 5 GGBDMM Cc1ccc(C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000185666213 1431200267 /nfs/dbraw/zinc/20/02/67/1431200267.db2.gz VAIRCHHUJKBHHZ-KRWDZBQOSA-N -1 1 378.388 3.113 20 5 GGBDMM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000185866042 1431256635 /nfs/dbraw/zinc/25/66/35/1431256635.db2.gz FJVSBXPTSPEXIJ-NSHDSACASA-N -1 1 380.426 3.065 20 5 GGBDMM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000185975029 1431302744 /nfs/dbraw/zinc/30/27/44/1431302744.db2.gz WHWVHHUKZDOJFS-GOSISDBHSA-N -1 1 388.401 3.264 20 5 GGBDMM CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187060740 1431602893 /nfs/dbraw/zinc/60/28/93/1431602893.db2.gz GGBISOLQGBYTTR-OAHLLOKOSA-N -1 1 381.392 3.042 20 5 GGBDMM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187060723 1431602954 /nfs/dbraw/zinc/60/29/54/1431602954.db2.gz GGBISOLQGBYTTR-HNNXBMFYSA-N -1 1 381.392 3.042 20 5 GGBDMM C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1nn[n-]n1 ZINC000187270202 1431675144 /nfs/dbraw/zinc/67/51/44/1431675144.db2.gz FRHLMRZYKKOYFP-GFCCVEGCSA-N -1 1 398.448 3.135 20 5 GGBDMM O=C(NCCc1nc(C2CCCCC2)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188470087 1431886732 /nfs/dbraw/zinc/88/67/32/1431886732.db2.gz DSPUIPNJYHAJKP-UHFFFAOYSA-N -1 1 376.438 3.172 20 5 GGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)cc1[N+](=O)[O-] ZINC000191786306 1432724998 /nfs/dbraw/zinc/72/49/98/1432724998.db2.gz UMOINPGOYRJWMR-UHFFFAOYSA-N -1 1 389.433 3.361 20 5 GGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)cc1[N+](=O)[O-] ZINC000191787313 1432725311 /nfs/dbraw/zinc/72/53/11/1432725311.db2.gz SXLPVONMAOUDHU-UHFFFAOYSA-N -1 1 389.433 3.361 20 5 GGBDMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000191791119 1432725608 /nfs/dbraw/zinc/72/56/08/1432725608.db2.gz SXUMFGBXDOCNNW-UHFFFAOYSA-N -1 1 391.449 3.152 20 5 GGBDMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(C)c1 ZINC000191790728 1432725972 /nfs/dbraw/zinc/72/59/72/1432725972.db2.gz YCLXCCROQRFICD-UHFFFAOYSA-N -1 1 391.449 3.071 20 5 GGBDMM COCc1nc2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)ccc2o1 ZINC000191903484 1432751857 /nfs/dbraw/zinc/75/18/57/1432751857.db2.gz VBARBBIUUDIWKV-UHFFFAOYSA-N -1 1 391.405 3.300 20 5 GGBDMM Cc1cnc(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])o1 ZINC000192736163 1432882400 /nfs/dbraw/zinc/88/24/00/1432882400.db2.gz DGVZJMXFOVUTQH-UHFFFAOYSA-N -1 1 388.405 3.304 20 5 GGBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000193447979 1433001101 /nfs/dbraw/zinc/00/11/01/1433001101.db2.gz JEDFAHAKBDLRQX-UHFFFAOYSA-N -1 1 393.165 3.436 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000193685096 1433040361 /nfs/dbraw/zinc/04/03/61/1433040361.db2.gz FSSCEUYXUDHXPV-CQSZACIVSA-N -1 1 395.375 3.113 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000193707859 1433044427 /nfs/dbraw/zinc/04/44/27/1433044427.db2.gz HPFAWRXOPDMMHO-LLVKDONJSA-N -1 1 398.202 3.296 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)cc1[N+](=O)[O-] ZINC000194023551 1433102563 /nfs/dbraw/zinc/10/25/63/1433102563.db2.gz VZJLCVBNOIWCIN-UHFFFAOYSA-N -1 1 375.362 3.059 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(C(F)(F)F)cc1 ZINC000194337655 1433163853 /nfs/dbraw/zinc/16/38/53/1433163853.db2.gz ODOGZUFHMNIYEZ-UHFFFAOYSA-N -1 1 378.303 3.231 20 5 GGBDMM COc1cccc(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)c1[N+](=O)[O-] ZINC000194575498 1433200238 /nfs/dbraw/zinc/20/02/38/1433200238.db2.gz CCLQXBOMRACWBZ-UHFFFAOYSA-N -1 1 387.783 3.149 20 5 GGBDMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000252959133 1433864950 /nfs/dbraw/zinc/86/49/50/1433864950.db2.gz LZRLCFQZUGSEMS-HOMQSWHASA-N -1 1 377.260 3.214 20 5 GGBDMM O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1ccc([N+](=O)[O-])[n-]1 ZINC000264558851 1434128027 /nfs/dbraw/zinc/12/80/27/1434128027.db2.gz NQBSOTLLUHHTGW-UHFFFAOYSA-N -1 1 384.371 3.299 20 5 GGBDMM CC(C)(C)OC(=O)NCc1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cs1 ZINC000264885642 1434162247 /nfs/dbraw/zinc/16/22/47/1434162247.db2.gz VXNWSBOWVSWRBV-UHFFFAOYSA-N -1 1 396.400 3.467 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000271418274 1434823238 /nfs/dbraw/zinc/82/32/38/1434823238.db2.gz LQGNRZVNOACEBS-UHFFFAOYSA-N -1 1 378.406 3.174 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273532527 1434994899 /nfs/dbraw/zinc/99/48/99/1434994899.db2.gz RDLUMPQHGJMEIA-DZGCQCFKSA-N -1 1 398.387 3.072 20 5 GGBDMM COC(=O)c1cc([N-]C(=O)c2cc(COC(C)(C)C)on2)c(C)c([N+](=O)[O-])c1 ZINC000276724002 1435228031 /nfs/dbraw/zinc/22/80/31/1435228031.db2.gz BVDTVKBXBWJQRX-UHFFFAOYSA-N -1 1 391.380 3.245 20 5 GGBDMM CCOc1cc([N-]C(=O)c2scnc2COC)c([N+](=O)[O-])cc1OCC ZINC000283826926 1435931237 /nfs/dbraw/zinc/93/12/37/1435931237.db2.gz KXZQTVIBGZIURF-UHFFFAOYSA-N -1 1 381.410 3.247 20 5 GGBDMM CCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376128 1441447424 /nfs/dbraw/zinc/44/74/24/1441447424.db2.gz CGILICZTOUJWOS-AWEZNQCLSA-N -1 1 394.435 3.236 20 5 GGBDMM CC[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000820995231 1441511640 /nfs/dbraw/zinc/51/16/40/1441511640.db2.gz ONJNZUZUNRXEOO-DZGCQCFKSA-N -1 1 379.424 3.190 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822271280 1441527747 /nfs/dbraw/zinc/52/77/47/1441527747.db2.gz USUSEANJBMDQSA-LBPRGKRZSA-N -1 1 381.396 3.274 20 5 GGBDMM CCS[C@H]1CCCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821456551 1441528266 /nfs/dbraw/zinc/52/82/66/1441528266.db2.gz PWFCAEJIZHCXLG-ZDUSSCGKSA-N -1 1 399.480 3.435 20 5 GGBDMM O=[N+]([O-])c1ccc(OCc2ccc(F)c(-c3nnn[n-]3)c2)c(Br)c1 ZINC000823646097 1441532624 /nfs/dbraw/zinc/53/26/24/1441532624.db2.gz ZWIDWZDIWWXTTG-UHFFFAOYSA-N -1 1 394.160 3.256 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1cc(Cl)cc(Cl)c1 ZINC000823624915 1441602634 /nfs/dbraw/zinc/60/26/34/1441602634.db2.gz KNQFJTURJVPGME-UHFFFAOYSA-N -1 1 380.195 3.131 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1cccc(Oc2ccccn2)c1 ZINC000823630037 1441611417 /nfs/dbraw/zinc/61/14/17/1441611417.db2.gz QFLUNFCWQABLKZ-UHFFFAOYSA-N -1 1 376.336 3.101 20 5 GGBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736814671 1441691095 /nfs/dbraw/zinc/69/10/95/1441691095.db2.gz RXFAXVFWZMRYLI-UHFFFAOYSA-N -1 1 380.195 3.113 20 5 GGBDMM O=[N+]([O-])c1ccc(OCc2cc(-c3nnn[n-]3)ccc2F)c(Br)c1 ZINC000738367628 1441713549 /nfs/dbraw/zinc/71/35/49/1441713549.db2.gz WQRQGNFVQGONED-UHFFFAOYSA-N -1 1 394.160 3.256 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H](OCCCc2ccccc2)C1 ZINC000823630250 1441717581 /nfs/dbraw/zinc/71/75/81/1441717581.db2.gz UHTLTXZHZHGMNZ-KRWDZBQOSA-N -1 1 394.435 3.003 20 5 GGBDMM O=C(C[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000826404614 1441763168 /nfs/dbraw/zinc/76/31/68/1441763168.db2.gz GTLBUGKYEPPZJO-HNNXBMFYSA-N -1 1 396.382 3.156 20 5 GGBDMM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000822195083 1441764369 /nfs/dbraw/zinc/76/43/69/1441764369.db2.gz GRKWQWRADVQFIA-UHFFFAOYSA-N -1 1 396.407 3.188 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822271279 1441849946 /nfs/dbraw/zinc/84/99/46/1441849946.db2.gz USUSEANJBMDQSA-GFCCVEGCSA-N -1 1 381.396 3.274 20 5 GGBDMM CC[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1nccs1 ZINC000820926325 1441891085 /nfs/dbraw/zinc/89/10/85/1441891085.db2.gz QWGDWYSSJXSVTM-LBPRGKRZSA-N -1 1 382.409 3.343 20 5 GGBDMM Cc1cc(F)ccc1N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000737270139 1441911774 /nfs/dbraw/zinc/91/17/74/1441911774.db2.gz JRLRJOKRLFRAIQ-OAHLLOKOSA-N -1 1 397.414 3.303 20 5 GGBDMM CC[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccncc1 ZINC000820925122 1441974306 /nfs/dbraw/zinc/97/43/06/1441974306.db2.gz DRBJSMBKJCZANC-OAHLLOKOSA-N -1 1 376.380 3.281 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@@H]1CCCc2ccccc21 ZINC000826450869 1441987237 /nfs/dbraw/zinc/98/72/37/1441987237.db2.gz HHRRIGLSYYRALN-CYBMUJFWSA-N -1 1 398.810 3.487 20 5 GGBDMM O=[N+]([O-])c1cnc(Nc2ccccc2COc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738374136 1442017759 /nfs/dbraw/zinc/01/77/59/1442017759.db2.gz JSXJTWUKMRVJDU-UHFFFAOYSA-N -1 1 389.375 3.493 20 5 GGBDMM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C=C(C)c1ccc([N+](=O)[O-])cc1 ZINC000825621363 1442035656 /nfs/dbraw/zinc/03/56/56/1442035656.db2.gz QWBZCSQEGKDGNV-ZRDIBKRKSA-N -1 1 394.391 3.216 20 5 GGBDMM C[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)Oc1ccccc1 ZINC000820274004 1442067412 /nfs/dbraw/zinc/06/74/12/1442067412.db2.gz BMMZFOZHTFBQSI-LBPRGKRZSA-N -1 1 391.391 3.203 20 5 GGBDMM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823333118 1442075996 /nfs/dbraw/zinc/07/59/96/1442075996.db2.gz XQMAZCJMTAKVFV-UHFFFAOYSA-N -1 1 379.163 3.334 20 5 GGBDMM O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826455171 1442102059 /nfs/dbraw/zinc/10/20/59/1442102059.db2.gz BXJJLTMSYYNFSM-UHFFFAOYSA-N -1 1 395.766 3.229 20 5 GGBDMM CC(C)c1nc([C@H]2CCCCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)no1 ZINC000824359687 1442139186 /nfs/dbraw/zinc/13/91/86/1442139186.db2.gz ZWMHBXQMLGMOAD-OAHLLOKOSA-N -1 1 398.427 3.403 20 5 GGBDMM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cc([N+](=O)[O-])ccc1Cl ZINC000826465182 1442174226 /nfs/dbraw/zinc/17/42/26/1442174226.db2.gz BLMOMOMMHORXNC-UHFFFAOYSA-N -1 1 394.174 3.439 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC2(CCCC2)c2c1cccc2F ZINC000823612891 1442200720 /nfs/dbraw/zinc/20/07/20/1442200720.db2.gz FVCVAFFAHANZEC-UHFFFAOYSA-N -1 1 381.371 3.273 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000826293478 1442279594 /nfs/dbraw/zinc/27/95/94/1442279594.db2.gz QRGLIHIUYJUVIS-CHWSQXEVSA-N -1 1 397.391 3.155 20 5 GGBDMM COc1cccc(C=C2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)c1 ZINC000821863456 1442350672 /nfs/dbraw/zinc/35/06/72/1442350672.db2.gz KTPSWCILKUJPTN-UHFFFAOYSA-N -1 1 392.419 3.467 20 5 GGBDMM Cc1ccc(OC(F)F)c(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000822263332 1442370152 /nfs/dbraw/zinc/37/01/52/1442370152.db2.gz MKUJPFKPVJCBLS-UHFFFAOYSA-N -1 1 376.323 3.297 20 5 GGBDMM Cc1ccc(N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c([N+](=O)[O-])c1 ZINC000826289860 1442389968 /nfs/dbraw/zinc/38/99/68/1442389968.db2.gz PRCVXCQHAXWMCE-UHFFFAOYSA-N -1 1 380.408 3.131 20 5 GGBDMM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000823431558 1442400699 /nfs/dbraw/zinc/40/06/99/1442400699.db2.gz RODAFFHBGLROGU-UHFFFAOYSA-N -1 1 393.281 3.151 20 5 GGBDMM CN(Cc1ccc(F)cc1F)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736819155 1443082918 /nfs/dbraw/zinc/08/29/18/1443082918.db2.gz IZBQWDIZYWCXGP-UHFFFAOYSA-N -1 1 397.345 3.238 20 5 GGBDMM Cc1c(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cccc1[N+](=O)[O-] ZINC000826236580 1443134964 /nfs/dbraw/zinc/13/49/64/1443134964.db2.gz SHWXVJXFDXRXOL-UHFFFAOYSA-N -1 1 376.420 3.373 20 5 GGBDMM Cc1c(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cccc1[N+](=O)[O-] ZINC000826236580 1443134966 /nfs/dbraw/zinc/13/49/66/1443134966.db2.gz SHWXVJXFDXRXOL-UHFFFAOYSA-N -1 1 376.420 3.373 20 5 GGBDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000826401856 1443149963 /nfs/dbraw/zinc/14/99/63/1443149963.db2.gz IFVPCFRTXPZJNY-BJMVGYQFSA-N -1 1 397.416 3.124 20 5 GGBDMM O=[N+]([O-])c1ccc(N[C@@H](Cc2ccccc2)C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000823640165 1443190056 /nfs/dbraw/zinc/19/00/56/1443190056.db2.gz WIBVYIHHMKJACI-AWEZNQCLSA-N -1 1 378.314 3.360 20 5 GGBDMM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCc1ccc([N+](=O)[O-])cc1 ZINC000737841592 1443244549 /nfs/dbraw/zinc/24/45/49/1443244549.db2.gz OGXWTNPESJTIEX-UHFFFAOYSA-N -1 1 397.391 3.067 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2noc(CSCc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000738367569 1443315300 /nfs/dbraw/zinc/31/53/00/1443315300.db2.gz VSRBWPRIYZELCO-UHFFFAOYSA-N -1 1 395.404 3.258 20 5 GGBDMM Cc1nn(-c2ccccc2)c(C)c1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000822486237 1443444193 /nfs/dbraw/zinc/44/41/93/1443444193.db2.gz CKZRAXUZLBEJPG-UHFFFAOYSA-N -1 1 390.407 3.190 20 5 GGBDMM CCCNc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000821122946 1443463635 /nfs/dbraw/zinc/46/36/35/1443463635.db2.gz CWSXIGJFRJEUDP-UHFFFAOYSA-N -1 1 395.423 3.412 20 5 GGBDMM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000819891777 1443469074 /nfs/dbraw/zinc/46/90/74/1443469074.db2.gz GZLYBDZNKVIRPS-UHFFFAOYSA-N -1 1 386.799 3.345 20 5 GGBDMM CN1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1c1ccc(Cl)cc1 ZINC000826029587 1443480997 /nfs/dbraw/zinc/48/09/97/1443480997.db2.gz UMILIOIGDGJIPR-IRXDYDNUSA-N -1 1 399.842 3.286 20 5 GGBDMM CN(Cc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825966275 1443485138 /nfs/dbraw/zinc/48/51/38/1443485138.db2.gz VYEKKVNKHKHRHL-UHFFFAOYSA-N -1 1 378.314 3.430 20 5 GGBDMM CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000820995412 1443488894 /nfs/dbraw/zinc/48/88/94/1443488894.db2.gz QXSNBNYZVVKRGW-XJKSGUPXSA-N -1 1 379.424 3.190 20 5 GGBDMM O=[N+]([O-])c1cnc(Nc2ccc(COc3ccccc3)cc2)c(-c2nn[n-]n2)c1 ZINC000826500816 1443491855 /nfs/dbraw/zinc/49/18/55/1443491855.db2.gz NEJIXCHWKZQJLM-UHFFFAOYSA-N -1 1 389.375 3.493 20 5 GGBDMM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000737852860 1443543146 /nfs/dbraw/zinc/54/31/46/1443543146.db2.gz HMMQLEGYTSAYGD-UHFFFAOYSA-N -1 1 387.783 3.104 20 5 GGBDMM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736204940 1443568912 /nfs/dbraw/zinc/56/89/12/1443568912.db2.gz UIXHGTKUMYYGPH-AWEZNQCLSA-N -1 1 394.435 3.379 20 5 GGBDMM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736204940 1443568913 /nfs/dbraw/zinc/56/89/13/1443568913.db2.gz UIXHGTKUMYYGPH-AWEZNQCLSA-N -1 1 394.435 3.379 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCCC[C@H]3CCCC[C@H]3O)cc(-c3nnn[n-]3)c2c1 ZINC000823644697 1443607596 /nfs/dbraw/zinc/60/75/96/1443607596.db2.gz KPDFVXALTGAWTD-SJKOYZFVSA-N -1 1 397.439 3.066 20 5 GGBDMM CCCc1cc(=O)oc2cc(Oc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc12 ZINC000821138596 1443646810 /nfs/dbraw/zinc/64/68/10/1443646810.db2.gz CDTUPDDAHHAIAK-UHFFFAOYSA-N -1 1 394.347 3.021 20 5 GGBDMM CCS[C@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C(C)C ZINC000825669336 1443653977 /nfs/dbraw/zinc/65/39/77/1443653977.db2.gz VCQGXDMCYBTCFC-LBPRGKRZSA-N -1 1 384.849 3.145 20 5 GGBDMM C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000736160495 1443662581 /nfs/dbraw/zinc/66/25/81/1443662581.db2.gz QQCZNBVLMSGQTK-JTQLQIEISA-N -1 1 378.348 3.174 20 5 GGBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822212760 1443674091 /nfs/dbraw/zinc/67/40/91/1443674091.db2.gz GNEMYYJYWSUZKL-UHFFFAOYSA-N -1 1 392.297 3.354 20 5 GGBDMM Cc1[nH]c2c(cc(C)cc2CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1C ZINC000737264999 1443706566 /nfs/dbraw/zinc/70/65/66/1443706566.db2.gz QXCHFSNYOVMIEJ-UHFFFAOYSA-N -1 1 378.396 3.189 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000823630074 1443736260 /nfs/dbraw/zinc/73/62/60/1443736260.db2.gz QQGOLJMMUPDGAP-ZDUSSCGKSA-N -1 1 386.437 3.022 20 5 GGBDMM O=[N+]([O-])c1ccc(CCCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000738361713 1443774414 /nfs/dbraw/zinc/77/44/14/1443774414.db2.gz ZAZPWTJHRCBYEC-UHFFFAOYSA-N -1 1 383.368 3.118 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](c1nccs1)c1ccccc1 ZINC000738357539 1443774907 /nfs/dbraw/zinc/77/49/07/1443774907.db2.gz FDYAFZSHSYPVDJ-OAHLLOKOSA-N -1 1 379.405 3.433 20 5 GGBDMM COc1ccc(CSCCOc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737096669 1443829635 /nfs/dbraw/zinc/82/96/35/1443829635.db2.gz DQDFQYNYKCZRHO-UHFFFAOYSA-N -1 1 387.421 3.096 20 5 GGBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825953707 1443907800 /nfs/dbraw/zinc/90/78/00/1443907800.db2.gz MKFDCCDGLFETER-UHFFFAOYSA-N -1 1 386.224 3.175 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826293383 1443918224 /nfs/dbraw/zinc/91/82/24/1443918224.db2.gz NIZYIXOXSLUZLI-UHFFFAOYSA-N -1 1 393.407 3.203 20 5 GGBDMM O=[N+]([O-])c1ccc(NC[C@@H](O)c2cc3ccccc3s2)c(-c2nnn[n-]2)c1 ZINC000823640199 1443962862 /nfs/dbraw/zinc/96/28/62/1443962862.db2.gz WYCSJBVNYSJEOD-CQSZACIVSA-N -1 1 382.405 3.135 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC000823625111 1444026455 /nfs/dbraw/zinc/02/64/55/1444026455.db2.gz PFFFWFMAMGZKCU-UHFFFAOYSA-N -1 1 399.374 3.252 20 5 GGBDMM CC(C)OC(=O)C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000820142844 1446122274 /nfs/dbraw/zinc/12/22/74/1446122274.db2.gz YLKNPZKTZYNJLQ-QGZVFWFLSA-N -1 1 396.407 3.270 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@H]1C[C@H]1Cc1ccccc1 ZINC000826450186 1446190825 /nfs/dbraw/zinc/19/08/25/1446190825.db2.gz ACYXPUPQOKITEI-YPMHNXCESA-N -1 1 398.810 3.246 20 5 GGBDMM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000812962206 1446201631 /nfs/dbraw/zinc/20/16/31/1446201631.db2.gz QDTWTTUMYZWQGX-UHFFFAOYSA-N -1 1 379.163 3.334 20 5 GGBDMM O=C(CCc1cccs1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826409264 1446233269 /nfs/dbraw/zinc/23/32/69/1446233269.db2.gz PDSKDBNIVZUAEP-UHFFFAOYSA-N -1 1 378.801 3.061 20 5 GGBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1cccc(-n2cccn2)c1 ZINC000824658354 1446235556 /nfs/dbraw/zinc/23/55/56/1446235556.db2.gz WFZVZQHIYRQFMB-LBPRGKRZSA-N -1 1 376.380 3.134 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccc2cc[nH]c2c1 ZINC000826450756 1446481641 /nfs/dbraw/zinc/48/16/41/1446481641.db2.gz CJZBPOYBCPIFBF-UHFFFAOYSA-N -1 1 383.755 3.162 20 5 GGBDMM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])s1 ZINC000823303279 1446513364 /nfs/dbraw/zinc/51/33/64/1446513364.db2.gz FPOHVNBSDIIJRD-UHFFFAOYSA-N -1 1 384.299 3.108 20 5 GGBDMM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000822226317 1446577967 /nfs/dbraw/zinc/57/79/67/1446577967.db2.gz MGYLDYRFWBPLQF-UHFFFAOYSA-N -1 1 392.297 3.354 20 5 GGBDMM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826465489 1446699814 /nfs/dbraw/zinc/69/98/14/1446699814.db2.gz PMENAOBANHKZQJ-UHFFFAOYSA-N -1 1 398.766 3.267 20 5 GGBDMM COc1ccccc1CC1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000737152614 1446766692 /nfs/dbraw/zinc/76/66/92/1446766692.db2.gz KUBOZLYMTVYIDU-UHFFFAOYSA-N -1 1 394.435 3.243 20 5 GGBDMM CCc1cccc2c(CCNc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)c[nH]c21 ZINC000736694688 1446795443 /nfs/dbraw/zinc/79/54/43/1446795443.db2.gz ADECPOCODGFGBQ-UHFFFAOYSA-N -1 1 377.408 3.473 20 5 GGBDMM CCCc1cc(=O)oc2cc(Oc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])ccc12 ZINC000821139336 1446852144 /nfs/dbraw/zinc/85/21/44/1446852144.db2.gz UIPWBIJFYLDUPC-UHFFFAOYSA-N -1 1 394.347 3.021 20 5 GGBDMM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000736194188 1446876536 /nfs/dbraw/zinc/87/65/36/1446876536.db2.gz XKEKBVXPYBEYAF-VIFPVBQESA-N -1 1 388.384 3.033 20 5 GGBDMM Cc1ccc(C)c(CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826285409 1446880333 /nfs/dbraw/zinc/88/03/33/1446880333.db2.gz ZEARJOIESNWKSJ-UHFFFAOYSA-N -1 1 386.799 3.226 20 5 GGBDMM CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573559 1446930979 /nfs/dbraw/zinc/93/09/79/1446930979.db2.gz VONYPIKTSVFCGL-UHFFFAOYSA-N -1 1 393.190 3.358 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000823629971 1446934795 /nfs/dbraw/zinc/93/47/95/1446934795.db2.gz OLRXCJQSQKDWJG-QAPCUYQASA-N -1 1 398.398 3.007 20 5 GGBDMM O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000738368665 1447026969 /nfs/dbraw/zinc/02/69/69/1447026969.db2.gz HVTFPRLFVSLQDA-GXFFZTMASA-N -1 1 391.313 3.157 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(CCc2ccccc2)CC1 ZINC000823621188 1447067357 /nfs/dbraw/zinc/06/73/57/1447067357.db2.gz YONVCIYPZSVEJZ-UHFFFAOYSA-N -1 1 379.424 3.019 20 5 GGBDMM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826304366 1447306870 /nfs/dbraw/zinc/30/68/70/1447306870.db2.gz IQDXRZURZMVCTP-UHFFFAOYSA-N -1 1 387.403 3.194 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1coc2ccccc12 ZINC000826451139 1447345695 /nfs/dbraw/zinc/34/56/95/1447345695.db2.gz RJQWPRPNBUYDSL-UHFFFAOYSA-N -1 1 384.739 3.427 20 5 GGBDMM CC1CCN(c2cccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)c2)CC1 ZINC000736281995 1449018680 /nfs/dbraw/zinc/01/86/80/1449018680.db2.gz ZCRILPJWOCPKRF-UHFFFAOYSA-N -1 1 380.412 3.150 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c1 ZINC000737368566 1449123909 /nfs/dbraw/zinc/12/39/09/1449123909.db2.gz MPVGJYIUQZDMGM-UHFFFAOYSA-N -1 1 384.421 3.276 20 5 GGBDMM Cc1ccccc1C1(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CC1 ZINC000826306651 1449138941 /nfs/dbraw/zinc/13/89/41/1449138941.db2.gz GUEDUXPVVMSEEP-UHFFFAOYSA-N -1 1 398.810 3.407 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000823615025 1449230346 /nfs/dbraw/zinc/23/03/46/1449230346.db2.gz XSOOUZCYIFSLKJ-UHFFFAOYSA-N -1 1 383.799 3.117 20 5 GGBDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000826251858 1449249934 /nfs/dbraw/zinc/24/99/34/1449249934.db2.gz DHQMJXJHDVXYRT-UHFFFAOYSA-N -1 1 385.405 3.032 20 5 GGBDMM Cc1cccc(CN(C)c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000822303520 1449377557 /nfs/dbraw/zinc/37/75/57/1449377557.db2.gz CVEAPUUSHHCZPP-UHFFFAOYSA-N -1 1 375.392 3.268 20 5 GGBDMM CC(C)(C)OC1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000819946412 1449388608 /nfs/dbraw/zinc/38/86/08/1449388608.db2.gz IVRYGGCYYSUXAS-UHFFFAOYSA-N -1 1 397.439 3.107 20 5 GGBDMM COc1ccc(C[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)cc1 ZINC000821790012 1449411885 /nfs/dbraw/zinc/41/18/85/1449411885.db2.gz DUXMBVMCKWSPIM-OAHLLOKOSA-N -1 1 394.435 3.243 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737367895 1449427675 /nfs/dbraw/zinc/42/76/75/1449427675.db2.gz CHXMXDYTCXPSLI-UHFFFAOYSA-N -1 1 380.408 3.386 20 5 GGBDMM Cc1c(CC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000826236629 1449488981 /nfs/dbraw/zinc/48/89/81/1449488981.db2.gz VIWCWKZFHSVPEU-UHFFFAOYSA-N -1 1 396.407 3.052 20 5 GGBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000820455478 1449498138 /nfs/dbraw/zinc/49/81/38/1449498138.db2.gz IRSLLQVJZKJKCU-LBPRGKRZSA-N -1 1 376.380 3.134 20 5 GGBDMM O=[N+]([O-])c1ccc(NCC2(c3ccc(F)cc3)CCOCC2)cc1-c1nnn[n-]1 ZINC000826498961 1449547884 /nfs/dbraw/zinc/54/78/84/1449547884.db2.gz PVNMWVLKUAHEIE-UHFFFAOYSA-N -1 1 398.398 3.074 20 5 GGBDMM O=[N+]([O-])c1cccc(CN(C(=S)Nc2ccccc2-c2nnn[n-]2)C2CC2)c1 ZINC000823647565 1449551111 /nfs/dbraw/zinc/55/11/11/1449551111.db2.gz MPCJFCJFDOUQHE-UHFFFAOYSA-N -1 1 395.448 3.136 20 5 GGBDMM COc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1Br ZINC000737105460 1449651731 /nfs/dbraw/zinc/65/17/31/1449651731.db2.gz HCHQWXFGZVANBV-UHFFFAOYSA-N -1 1 391.185 3.290 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000738360427 1449659976 /nfs/dbraw/zinc/65/99/76/1449659976.db2.gz WPXYPHBMDLZHMU-UHFFFAOYSA-N -1 1 396.251 3.096 20 5 GGBDMM CC(C)(C)c1ccc2c(c1)CN(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC000824136435 1449667323 /nfs/dbraw/zinc/66/73/23/1449667323.db2.gz RCCCKBIBJYPVPD-UHFFFAOYSA-N -1 1 379.424 3.030 20 5 GGBDMM CN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569723 1449676391 /nfs/dbraw/zinc/67/63/91/1449676391.db2.gz TUHKFDSGZQKJAA-WTKPLQERSA-N -1 1 384.783 3.105 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H](CSc2ccccc2)C1 ZINC000823629606 1449704651 /nfs/dbraw/zinc/70/46/51/1449704651.db2.gz BMHQQSVTTYVNGZ-ZDUSSCGKSA-N -1 1 382.449 3.394 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2noc(CSc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000738358264 1449764707 /nfs/dbraw/zinc/76/47/07/1449764707.db2.gz DIVRGLVOWXISEF-UHFFFAOYSA-N -1 1 381.377 3.117 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCC3(c4ccccc4)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000738367611 1449772816 /nfs/dbraw/zinc/77/28/16/1449772816.db2.gz WGZLSSALZDZRRC-UHFFFAOYSA-N -1 1 387.403 3.467 20 5 GGBDMM C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000736115265 1449860227 /nfs/dbraw/zinc/86/02/27/1449860227.db2.gz GSSGSQOBRAOYOG-NSHDSACASA-N -1 1 398.427 3.214 20 5 GGBDMM C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736155085 1449896683 /nfs/dbraw/zinc/89/66/83/1449896683.db2.gz GZOBMIHYNZZNRC-NSHDSACASA-N -1 1 385.405 3.171 20 5 GGBDMM CCOc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000825648840 1449912454 /nfs/dbraw/zinc/91/24/54/1449912454.db2.gz DKKQDDMZVHCINR-UHFFFAOYSA-N -1 1 388.771 3.079 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCCc3cccc(F)c3)cc(-c3nnn[n-]3)c2c1 ZINC000738367002 1450018189 /nfs/dbraw/zinc/01/81/89/1450018189.db2.gz MUXUUBLUPDKLKI-UHFFFAOYSA-N -1 1 379.355 3.117 20 5 GGBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(Cn2ccc(-c3nnn[n-]3)c2)cc1OC ZINC000825067520 1450028732 /nfs/dbraw/zinc/02/87/32/1450028732.db2.gz LBZCMHOCKFRLSV-LBPRGKRZSA-N -1 1 386.412 3.058 20 5 GGBDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000820455474 1450150095 /nfs/dbraw/zinc/15/00/95/1450150095.db2.gz IRSLLQVJZKJKCU-GFCCVEGCSA-N -1 1 376.380 3.134 20 5 GGBDMM Cc1c(NC(=O)[C@@H](C)Sc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000822061509 1450157144 /nfs/dbraw/zinc/15/71/44/1450157144.db2.gz OPSUJPWPJNXPCT-LLVKDONJSA-N -1 1 384.421 3.203 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(Cc1cccs1)C[C@H]1CCCO1 ZINC000823630073 1450206972 /nfs/dbraw/zinc/20/69/72/1450206972.db2.gz QQGOLJMMUPDGAP-CYBMUJFWSA-N -1 1 386.437 3.022 20 5 GGBDMM COc1ccc(OC)c([C@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1 ZINC000826211279 1450223684 /nfs/dbraw/zinc/22/36/84/1450223684.db2.gz WHKVBSFITNYCTC-MRXNPFEDSA-N -1 1 396.407 3.134 20 5 GGBDMM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826468384 1450253270 /nfs/dbraw/zinc/25/32/70/1450253270.db2.gz OAMZBLWNGBHMCE-UHFFFAOYSA-N -1 1 397.244 3.152 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCO[C@H]1CCCc2ccccc21 ZINC000823624929 1450345324 /nfs/dbraw/zinc/34/53/24/1450345324.db2.gz LFQMVIZSNWPGSS-INIZCTEOSA-N -1 1 395.423 3.066 20 5 GGBDMM Cc1cc(Oc2ccc(Br)cc2-c2nnn[n-]2)ncc1[N+](=O)[O-] ZINC000822211537 1450396041 /nfs/dbraw/zinc/39/60/41/1450396041.db2.gz DCJGLSXIQKTROQ-UHFFFAOYSA-N -1 1 377.158 3.033 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826293720 1450402054 /nfs/dbraw/zinc/40/20/54/1450402054.db2.gz ZFJPSDNZUWWKNE-UHFFFAOYSA-N -1 1 390.403 3.013 20 5 GGBDMM Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)CCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000455642366 953514432 /nfs/dbraw/zinc/51/44/32/953514432.db2.gz LKGPYYOUDXVPQQ-IBGZPJMESA-N -1 1 385.420 3.380 20 5 GGBDMM CN(CCC(=O)[O-])[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001593736885 954342000 /nfs/dbraw/zinc/34/20/00/954342000.db2.gz AOWGITSKWHNRJI-QGZVFWFLSA-N -1 1 391.811 3.335 20 5 GGBDMM CC(C)c1[nH]nc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC001588963258 962636921 /nfs/dbraw/zinc/63/69/21/962636921.db2.gz LTWCOIWELUHYSU-UHFFFAOYSA-N -1 1 386.408 3.159 20 5 GGBDMM O=C([O-])c1ccccc1C1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000375367544 968063306 /nfs/dbraw/zinc/06/33/06/968063306.db2.gz ONHGVFOVELLGPK-UHFFFAOYSA-N -1 1 394.387 3.189 20 5 GGBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CSCCN2Cc2ccccc2)c1 ZINC000567113927 974627174 /nfs/dbraw/zinc/62/71/74/974627174.db2.gz YHXBRGOINNULCY-INIZCTEOSA-N -1 1 387.461 3.323 20 5 GGBDMM Cc1cc(NCC2(CN3CCOCC3)CCCCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000572003303 974739973 /nfs/dbraw/zinc/73/99/73/974739973.db2.gz MZQDRWMHRUUERU-UHFFFAOYSA-N -1 1 391.468 3.296 20 5 GGBDMM Cc1ccc2nc([C@H]3CCCN(c4nccc(C(=O)[O-])c4[N+](=O)[O-])C3)[nH]c2c1 ZINC000584722151 974957571 /nfs/dbraw/zinc/95/75/71/974957571.db2.gz IJRCZSGSVOFZNB-LBPRGKRZSA-N -1 1 381.392 3.257 20 5 GGBDMM CC(C)OC(=O)c1ccc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC001591686057 975490086 /nfs/dbraw/zinc/49/00/86/975490086.db2.gz WVXNREAZMFIUQJ-FQEVSTJZSA-N -1 1 386.404 3.250 20 5 GGBDMM CC(C)n1ncc2c1[C@@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)CCC2 ZINC001592158488 977037809 /nfs/dbraw/zinc/03/78/09/977037809.db2.gz PVFPODLJIDAGEO-HNNXBMFYSA-N -1 1 388.424 3.003 20 5 GGBDMM C[C@@](CC(=O)[O-])(NCc1ccc(Br)c([N+](=O)[O-])c1)c1cccnc1 ZINC001592328623 977749121 /nfs/dbraw/zinc/74/91/21/977749121.db2.gz NJEZLFCWAAUAGM-INIZCTEOSA-N -1 1 394.225 3.232 20 5 GGBDMM O=C([O-])c1ccccc1C(=O)c1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000740239773 978673148 /nfs/dbraw/zinc/67/31/48/978673148.db2.gz KYQUPYDYDREWHD-UHFFFAOYSA-N -1 1 397.431 3.422 20 5 GGBDMM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000753069326 978693225 /nfs/dbraw/zinc/69/32/25/978693225.db2.gz SPFKLKAWEGSLCR-UHFFFAOYSA-N -1 1 384.797 3.364 20 5 GGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000769630934 978742360 /nfs/dbraw/zinc/74/23/60/978742360.db2.gz OMUKZVDFLLZTBC-UHFFFAOYSA-N -1 1 388.760 3.195 20 5 GGBDMM CCC(CC)[C@@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])N1CCOCC1 ZINC000859994126 979654324 /nfs/dbraw/zinc/65/43/24/979654324.db2.gz RURZNHDEHGJNGS-MONCILHSSA-N -1 1 391.468 3.242 20 5 GGBDMM CCC(CC)[C@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])N1CCOCC1 ZINC000859994127 979654500 /nfs/dbraw/zinc/65/45/00/979654500.db2.gz RURZNHDEHGJNGS-QJSCKGPTSA-N -1 1 391.468 3.242 20 5 GGBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001595211008 979987323 /nfs/dbraw/zinc/98/73/23/979987323.db2.gz BATOJQABCQENRX-GFCCVEGCSA-N -1 1 382.376 3.377 20 5 GGBDMM CSc1cc(C)ccc1CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599808395 988293014 /nfs/dbraw/zinc/29/30/14/988293014.db2.gz GIMBBIBEYKXVRP-UHFFFAOYSA-N -1 1 376.434 3.378 20 5 GGBDMM CSc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])c1C ZINC001599823190 988550094 /nfs/dbraw/zinc/55/00/94/988550094.db2.gz CXCHYNDFFHTPKT-UHFFFAOYSA-N -1 1 382.419 3.124 20 5 GGBDMM CC(C)C1(c2ccccc2)CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001591067597 991513884 /nfs/dbraw/zinc/51/38/84/991513884.db2.gz FZQGVBBPBSPQJW-UHFFFAOYSA-N -1 1 384.432 3.468 20 5 GGBDMM C[C@@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1cc(F)ccc1N(C)C ZINC001593298239 994710904 /nfs/dbraw/zinc/71/09/04/994710904.db2.gz GIMGOYZYRUYVEJ-GFCCVEGCSA-N -1 1 391.399 3.114 20 5 GGBDMM C[C@@](NCc1ccc(OCC(F)(F)F)nc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593298853 994718302 /nfs/dbraw/zinc/71/83/02/994718302.db2.gz NXWLQRPINNRNGD-INIZCTEOSA-N -1 1 399.325 3.021 20 5 GGBDMM C[C@@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccc2c(c1)CCCO2 ZINC001593299299 994721877 /nfs/dbraw/zinc/72/18/77/994721877.db2.gz RCIGNLSPXYKKIT-CYBMUJFWSA-N -1 1 386.404 3.234 20 5 GGBDMM C[C@@](NCc1ccc2c(c1)OC(F)(F)O2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593304713 994752215 /nfs/dbraw/zinc/75/22/15/994752215.db2.gz PYJIUTRHYXKRQH-INIZCTEOSA-N -1 1 380.303 3.006 20 5 GGBDMM C[C@](NCc1ccnn1CCc1ccccc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593311768 994787009 /nfs/dbraw/zinc/78/70/09/994787009.db2.gz UIIQGJVSISMJSA-OAQYLSRUSA-N -1 1 394.431 3.124 20 5 GGBDMM C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593312191 994795648 /nfs/dbraw/zinc/79/56/48/994795648.db2.gz PXOHRBMBAXJBOV-CXAGYDPISA-N -1 1 396.403 3.066 20 5 GGBDMM COc1ccc(CN2CC[C@@H]2CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001599561048 998195543 /nfs/dbraw/zinc/19/55/43/998195543.db2.gz CCTIWQWTKHXNRV-HFTQHKIXSA-N -1 1 397.431 3.388 20 5 GGBDMM COC(=O)c1ccc([N+](=O)[O-])c(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])c1 ZINC001598988044 998712153 /nfs/dbraw/zinc/71/21/53/998712153.db2.gz NOGCTRHHHBYFAE-AWEZNQCLSA-N -1 1 386.404 3.104 20 5 GGBDMM COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)c1 ZINC001598989059 998719829 /nfs/dbraw/zinc/71/98/29/998719829.db2.gz ZEOCASFPWHQBDU-ASSNKEHSSA-N -1 1 398.415 3.348 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000016122104 207072650 /nfs/dbraw/zinc/07/26/50/207072650.db2.gz LPJOJTAKRAQCEH-UHFFFAOYSA-N -1 1 377.422 3.299 20 5 GGBDMM Cc1nc(C2([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)CCCCCC2)no1 ZINC000030355517 207368783 /nfs/dbraw/zinc/36/87/83/207368783.db2.gz JUBNYDKSCWSCOM-UHFFFAOYSA-N -1 1 394.453 3.123 20 5 GGBDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000007417674 564237437 /nfs/dbraw/zinc/23/74/37/564237437.db2.gz DNEHEWYWSGBETA-UHFFFAOYSA-N -1 1 383.813 3.316 20 5 GGBDMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000119070328 564252830 /nfs/dbraw/zinc/25/28/30/564252830.db2.gz FFLJZCSGYWVMCY-UHFFFAOYSA-N -1 1 389.842 3.377 20 5 GGBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)c2C)o1 ZINC000119387123 564267593 /nfs/dbraw/zinc/26/75/93/564267593.db2.gz YUDBAAKSZUHYCH-UHFFFAOYSA-N -1 1 382.423 3.365 20 5 GGBDMM Cc1cnc([C@@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C2CC2)s1 ZINC000120970334 564346263 /nfs/dbraw/zinc/34/62/63/564346263.db2.gz QFVDCSFEWMRPGW-AWEZNQCLSA-N -1 1 381.479 3.406 20 5 GGBDMM CCc1nnc([N-]C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])s1 ZINC000042212453 564443509 /nfs/dbraw/zinc/44/35/09/564443509.db2.gz BRGRDTIZENCVNH-UHFFFAOYSA-N -1 1 376.316 3.202 20 5 GGBDMM O=C(Nc1cc(Br)ccc1[O-])c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000126563704 564553435 /nfs/dbraw/zinc/55/34/35/564553435.db2.gz DGNKNIMUNPUDLY-UHFFFAOYSA-N -1 1 377.154 3.192 20 5 GGBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2 ZINC000055576910 564624782 /nfs/dbraw/zinc/62/47/82/564624782.db2.gz QESSNMSQZDGECP-UHFFFAOYSA-N -1 1 384.797 3.129 20 5 GGBDMM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000134156414 564795424 /nfs/dbraw/zinc/79/54/24/564795424.db2.gz KGZPRFKLDUSYOO-NSHDSACASA-N -1 1 382.825 3.188 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCOC2(CCCCC2)C1 ZINC000134658894 564810519 /nfs/dbraw/zinc/81/05/19/564810519.db2.gz WBFGKBPRXVNISG-LBPRGKRZSA-N -1 1 388.873 3.408 20 5 GGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ncccc1Br ZINC000135234653 564825930 /nfs/dbraw/zinc/82/59/30/564825930.db2.gz HTGVULRVRSQLCH-UHFFFAOYSA-N -1 1 386.227 3.116 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCOc2ccc(F)cc21 ZINC000068938502 564829732 /nfs/dbraw/zinc/82/97/32/564829732.db2.gz NPKGVTZRQJOPHE-GFCCVEGCSA-N -1 1 386.788 3.189 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1cc2ccccc2[nH]1 ZINC000135534365 564834536 /nfs/dbraw/zinc/83/45/36/564834536.db2.gz YONXPWWKQGADPL-UHFFFAOYSA-N -1 1 379.825 3.251 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2OCc2ccccc2)s1 ZINC000152942391 564977825 /nfs/dbraw/zinc/97/78/25/564977825.db2.gz IPRZNLAGFRBHGN-KBPBESRZSA-N -1 1 382.463 3.073 20 5 GGBDMM Cc1csc(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CCCC2)n1 ZINC000112707266 565065806 /nfs/dbraw/zinc/06/58/06/565065806.db2.gz JRBLAICFNAGSSJ-UHFFFAOYSA-N -1 1 385.442 3.247 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000185675418 565215980 /nfs/dbraw/zinc/21/59/80/565215980.db2.gz ADUPOFWMRUYBCL-CQSZACIVSA-N -1 1 379.825 3.279 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000185675398 565216216 /nfs/dbraw/zinc/21/62/16/565216216.db2.gz ADUPOFWMRUYBCL-AWEZNQCLSA-N -1 1 379.825 3.279 20 5 GGBDMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1nccs1 ZINC000295077698 565243018 /nfs/dbraw/zinc/24/30/18/565243018.db2.gz DQYKOGCEIOIDSC-SSDOTTSWSA-N -1 1 396.277 3.440 20 5 GGBDMM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000186475720 565262269 /nfs/dbraw/zinc/26/22/69/565262269.db2.gz XIKAJLHJQGEFGX-MRVPVSSYSA-N -1 1 375.859 3.095 20 5 GGBDMM CCn1cc([C@H](C)[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cn1 ZINC000295473779 565268376 /nfs/dbraw/zinc/26/83/76/565268376.db2.gz ZDOQVCYTNCMDOU-QMMMGPOBSA-N -1 1 393.252 3.158 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCOc2c(F)cccc21 ZINC000190722382 565554052 /nfs/dbraw/zinc/55/40/52/565554052.db2.gz XDYOCYUEQPPDJM-LBPRGKRZSA-N -1 1 386.788 3.189 20 5 GGBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nc(C(F)(F)F)cs1 ZINC000278389405 565555805 /nfs/dbraw/zinc/55/58/05/565555805.db2.gz MLOKVBZWJUVYSO-LURJTMIESA-N -1 1 399.347 3.249 20 5 GGBDMM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C2CC2)n1 ZINC000173466730 565559478 /nfs/dbraw/zinc/55/94/78/565559478.db2.gz ZFHMBNVPGQEHHL-CYBMUJFWSA-N -1 1 387.870 3.443 20 5 GGBDMM C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000302991160 565566061 /nfs/dbraw/zinc/56/60/61/565566061.db2.gz LHWMITYWPKSWQA-JTQLQIEISA-N -1 1 394.225 3.209 20 5 GGBDMM CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000303127503 565566710 /nfs/dbraw/zinc/56/67/10/565566710.db2.gz AORRLAOHHFZQQV-SNVBAGLBSA-N -1 1 379.276 3.460 20 5 GGBDMM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000303127502 565567757 /nfs/dbraw/zinc/56/77/57/565567757.db2.gz AORRLAOHHFZQQV-JTQLQIEISA-N -1 1 379.276 3.460 20 5 GGBDMM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000303182496 565568963 /nfs/dbraw/zinc/56/89/63/565568963.db2.gz KOURQLNJKJLIIK-ONGXEEELSA-N -1 1 377.260 3.214 20 5 GGBDMM CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000173836009 565592220 /nfs/dbraw/zinc/59/22/20/565592220.db2.gz XZDBFCXOVVDBFW-MRVPVSSYSA-N -1 1 395.384 3.500 20 5 GGBDMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000327675837 565632049 /nfs/dbraw/zinc/63/20/49/565632049.db2.gz LTPZMXZYTOVFPO-UHFFFAOYSA-N -1 1 388.760 3.195 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000192713938 565706742 /nfs/dbraw/zinc/70/67/42/565706742.db2.gz GDWNHXMJCWTJNL-UHFFFAOYSA-N -1 1 387.211 3.167 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000192729794 565707823 /nfs/dbraw/zinc/70/78/23/565707823.db2.gz SAQNFWFEACBDMV-UHFFFAOYSA-N -1 1 376.312 3.423 20 5 GGBDMM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000175890996 565732631 /nfs/dbraw/zinc/73/26/31/565732631.db2.gz FISCDVYVZMELFE-UHFFFAOYSA-N -1 1 375.859 3.227 20 5 GGBDMM Nc1ccc2c(c1)CCC[C@@H]2[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000193391431 565749172 /nfs/dbraw/zinc/74/91/72/565749172.db2.gz ITRMNWXZVISXGB-AWEZNQCLSA-N -1 1 381.841 3.186 20 5 GGBDMM CCc1[n-][nH]c(=NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c1Br ZINC000412149954 565772180 /nfs/dbraw/zinc/77/21/80/565772180.db2.gz BFODGCFAEWVQIN-UHFFFAOYSA-N -1 1 397.229 3.104 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)c(F)c1 ZINC000177383363 565846580 /nfs/dbraw/zinc/84/65/80/565846580.db2.gz RSKRJUDXSQESBJ-UHFFFAOYSA-N -1 1 393.165 3.436 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1ccccc1Cl ZINC000195719027 565892508 /nfs/dbraw/zinc/89/25/08/565892508.db2.gz YHFHOKYJKUGIQW-UHFFFAOYSA-N -1 1 375.233 3.423 20 5 GGBDMM CC(C)c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]n1 ZINC000414444348 565933124 /nfs/dbraw/zinc/93/31/24/565933124.db2.gz PNYWNVLZIQYRNX-UHFFFAOYSA-N -1 1 378.332 3.261 20 5 GGBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000179568506 565990158 /nfs/dbraw/zinc/99/01/58/565990158.db2.gz JGWYQPDQPKFNGW-UHFFFAOYSA-N -1 1 381.182 3.002 20 5 GGBDMM Cc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])sc1C ZINC000416410464 566063272 /nfs/dbraw/zinc/06/32/72/566063272.db2.gz GCBCWWVYLNIJHC-UHFFFAOYSA-N -1 1 395.384 3.165 20 5 GGBDMM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000416407394 566063936 /nfs/dbraw/zinc/06/39/36/566063936.db2.gz KAKQULZGSZWRGH-UHFFFAOYSA-N -1 1 395.384 3.165 20 5 GGBDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000181051561 566109321 /nfs/dbraw/zinc/10/93/21/566109321.db2.gz RXEYIVYKPKNYGW-UHFFFAOYSA-N -1 1 387.776 3.011 20 5 GGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C1CCCC1)C(F)(F)F ZINC000182791009 566223726 /nfs/dbraw/zinc/22/37/26/566223726.db2.gz XXGBEEPWONGPAH-CYBMUJFWSA-N -1 1 382.360 3.003 20 5 GGBDMM CC[C@H](Cc1ccccc1Br)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445018876 566264737 /nfs/dbraw/zinc/26/47/37/566264737.db2.gz KLBDEQPYILZEIU-GFCCVEGCSA-N -1 1 394.225 3.209 20 5 GGBDMM C[C@@H](CC(C)(C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000575236605 566264629 /nfs/dbraw/zinc/26/46/29/566264629.db2.gz YOIVGKCAWZRMIC-ZETCQYMHSA-N -1 1 399.252 3.069 20 5 GGBDMM C[C@@H]1c2cccc(Br)c2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445134739 566269596 /nfs/dbraw/zinc/26/95/96/566269596.db2.gz IZGKWJRLMPLPKZ-SECBINFHSA-N -1 1 392.209 3.217 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3csc(I)c3)no2)[n-]1 ZINC000445300487 566281033 /nfs/dbraw/zinc/28/10/33/566281033.db2.gz LHPMSXCSJMZWOR-UHFFFAOYSA-N -1 1 388.146 3.306 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3I)no2)[n-]1 ZINC000445384960 566286382 /nfs/dbraw/zinc/28/63/82/566286382.db2.gz OHIVBKGTRAZWQR-UHFFFAOYSA-N -1 1 382.117 3.245 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)c([N+](=O)[O-])c1 ZINC000509376237 566295705 /nfs/dbraw/zinc/29/57/05/566295705.db2.gz OKDHCPDQPXNRQK-UHFFFAOYSA-N -1 1 376.312 3.445 20 5 GGBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1F ZINC000509390368 566297906 /nfs/dbraw/zinc/29/79/06/566297906.db2.gz HTIKMJOLDHORIU-UHFFFAOYSA-N -1 1 376.312 3.445 20 5 GGBDMM O=C(Nc1cc(Br)ccc1[O-])c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000535413179 566302769 /nfs/dbraw/zinc/30/27/69/566302769.db2.gz XASRCGJFAJYUGO-UHFFFAOYSA-N -1 1 381.138 3.044 20 5 GGBDMM Cc1ccc(OCCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000509732042 566333220 /nfs/dbraw/zinc/33/32/20/566333220.db2.gz XINAIHAKOVMBHT-UHFFFAOYSA-N -1 1 384.841 3.304 20 5 GGBDMM Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000462698391 566343101 /nfs/dbraw/zinc/34/31/01/566343101.db2.gz FJWNBXUSAJRIBT-LBPRGKRZSA-N -1 1 384.841 3.302 20 5 GGBDMM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])OC ZINC000446929835 566371151 /nfs/dbraw/zinc/37/11/51/566371151.db2.gz SIEBUKBLYWVERV-CQSZACIVSA-N -1 1 378.878 3.368 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@H]1CCSC1 ZINC000463081547 566383363 /nfs/dbraw/zinc/38/33/63/566383363.db2.gz KCPXYAHGDXEPQD-ZDUSSCGKSA-N -1 1 379.463 3.313 20 5 GGBDMM CC(=O)c1csc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC000447132076 566389374 /nfs/dbraw/zinc/38/93/74/566389374.db2.gz GOQHGUBIBWWREU-UHFFFAOYSA-N -1 1 376.213 3.330 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447790112 566429597 /nfs/dbraw/zinc/42/95/97/566429597.db2.gz VZJQZGPMELAAPR-UHFFFAOYSA-N -1 1 376.312 3.445 20 5 GGBDMM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000464187696 566453535 /nfs/dbraw/zinc/45/35/35/566453535.db2.gz OEASZZORBQEAHO-UHFFFAOYSA-N -1 1 389.216 3.063 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 ZINC000484783202 566455317 /nfs/dbraw/zinc/45/53/17/566455317.db2.gz AZQAKHGBBWKZFM-KOLCDFICSA-N -1 1 384.351 3.381 20 5 GGBDMM O=C([N-]c1nc2cc(Cl)ccn2n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000464644279 566494762 /nfs/dbraw/zinc/49/47/62/566494762.db2.gz RTMGMKAIYMVBJW-UHFFFAOYSA-N -1 1 396.588 3.306 20 5 GGBDMM CC(C)C(=O)c1cnccc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485773233 566526400 /nfs/dbraw/zinc/52/64/00/566526400.db2.gz VYHGYAHPNHXJLF-UHFFFAOYSA-N -1 1 398.238 3.327 20 5 GGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Br ZINC000538940155 566550249 /nfs/dbraw/zinc/55/02/49/566550249.db2.gz HWODAXBRDPMOIM-UHFFFAOYSA-N -1 1 393.165 3.436 20 5 GGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000578837500 566556966 /nfs/dbraw/zinc/55/69/66/566556966.db2.gz TXXGQKJBHJUAOX-JOYOIKCWSA-N -1 1 388.232 3.131 20 5 GGBDMM CSc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C ZINC000539194831 566566288 /nfs/dbraw/zinc/56/62/88/566566288.db2.gz UPRFAXRZTXZHND-UHFFFAOYSA-N -1 1 382.419 3.124 20 5 GGBDMM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000539639282 566593001 /nfs/dbraw/zinc/59/30/01/566593001.db2.gz SYNZPCCRQVWBFF-VXGBXAGGSA-N -1 1 376.862 3.120 20 5 GGBDMM Cc1sc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)cc1[N+](=O)[O-] ZINC000466965017 566612186 /nfs/dbraw/zinc/61/21/86/566612186.db2.gz OBGLNANBCOEMBM-UHFFFAOYSA-N -1 1 390.826 3.190 20 5 GGBDMM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000486848625 566629986 /nfs/dbraw/zinc/62/99/86/566629986.db2.gz XQDYBUGRNUKCNT-ZETCQYMHSA-N -1 1 381.357 3.110 20 5 GGBDMM Cc1nc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[n-]c(=O)c1C ZINC000540714375 566666618 /nfs/dbraw/zinc/66/66/18/566666618.db2.gz GAUBPQXXODHDKV-VIFPVBQESA-N -1 1 382.829 3.480 20 5 GGBDMM Cc1ccc([C@@H]2OCCC[C@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000467793007 566668289 /nfs/dbraw/zinc/66/82/89/566668289.db2.gz OJRGLCQYXLHEQG-CJNGLKHVSA-N -1 1 382.463 3.163 20 5 GGBDMM O=C(Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000580238124 566676777 /nfs/dbraw/zinc/67/67/77/566676777.db2.gz AGTMWGJORJXNGU-UHFFFAOYSA-N -1 1 394.160 3.467 20 5 GGBDMM COc1ccc(Br)cc1[C@@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000426750138 566726786 /nfs/dbraw/zinc/72/67/86/566726786.db2.gz LJFQLFPSGJUVSY-OAHLLOKOSA-N -1 1 395.209 3.281 20 5 GGBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n(-c2cccc(Br)c2)n1 ZINC000608820576 566737808 /nfs/dbraw/zinc/73/78/08/566737808.db2.gz FAEFLKZTCJIFBT-UHFFFAOYSA-N -1 1 390.197 3.432 20 5 GGBDMM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488850008 566752214 /nfs/dbraw/zinc/75/22/14/566752214.db2.gz FDVYLGHPXRMIMF-ONGXEEELSA-N -1 1 377.260 3.214 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1ccc(F)c(F)c1F ZINC000542237705 566784702 /nfs/dbraw/zinc/78/47/02/566784702.db2.gz DHYALHQEIDUDBR-UHFFFAOYSA-N -1 1 394.758 3.187 20 5 GGBDMM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1C ZINC000581846168 566808303 /nfs/dbraw/zinc/80/83/03/566808303.db2.gz GVXRCGPJWNXDOC-UHFFFAOYSA-N -1 1 386.813 3.375 20 5 GGBDMM COC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c(Br)cc1F ZINC000610181457 566812274 /nfs/dbraw/zinc/81/22/74/566812274.db2.gz GKVBPJRVHKITSB-UHFFFAOYSA-N -1 1 387.117 3.128 20 5 GGBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000610212095 566814956 /nfs/dbraw/zinc/81/49/56/566814956.db2.gz KTXVCFITRCJZBB-VIFPVBQESA-N -1 1 375.328 3.048 20 5 GGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCSc2ccc(Cl)cc21 ZINC000610259993 566818099 /nfs/dbraw/zinc/81/80/99/566818099.db2.gz FPYRNBIYVUQVHK-LLVKDONJSA-N -1 1 385.854 3.159 20 5 GGBDMM CCOCCOc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000490227523 566837791 /nfs/dbraw/zinc/83/77/91/566837791.db2.gz QMLCLSGKPYJAOH-UHFFFAOYSA-N -1 1 398.213 3.353 20 5 GGBDMM CO[C@@](C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000451822911 566889292 /nfs/dbraw/zinc/88/92/92/566889292.db2.gz JEDRCBWWXXBBGW-INIZCTEOSA-N -1 1 384.841 3.088 20 5 GGBDMM CCn1cc(S(=O)(=O)[N-][C@@H](c2ccccc2Cl)C(C)C)c([N+](=O)[O-])n1 ZINC000611107565 566891205 /nfs/dbraw/zinc/89/12/05/566891205.db2.gz RGGUKIHRDSTKLB-CQSZACIVSA-N -1 1 386.861 3.140 20 5 GGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ncccc2Br)cc1[N+](=O)[O-] ZINC000493136814 566944169 /nfs/dbraw/zinc/94/41/69/566944169.db2.gz ZOERPSXVTIUMEO-UHFFFAOYSA-N -1 1 386.227 3.170 20 5 GGBDMM COc1ccc(Cl)cc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000520031525 566982639 /nfs/dbraw/zinc/98/26/39/566982639.db2.gz VHLNSVRZRKPQKR-UHFFFAOYSA-N -1 1 391.232 3.389 20 5 GGBDMM CC(C)(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc(Cl)c1F ZINC000545263646 567035027 /nfs/dbraw/zinc/03/50/27/567035027.db2.gz GKDCVRPHMRGBDF-UHFFFAOYSA-N -1 1 387.820 3.038 20 5 GGBDMM COc1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCCCC2)ccc1[N+](=O)[O-] ZINC000546178204 567112568 /nfs/dbraw/zinc/11/25/68/567112568.db2.gz KWJRJZDWBLHHNB-UHFFFAOYSA-N -1 1 382.360 3.147 20 5 GGBDMM CCc1[n-][nH]c(=NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1Br ZINC000473956026 567118668 /nfs/dbraw/zinc/11/86/68/567118668.db2.gz BDMZFQXUOMQHFO-MRVPVSSYSA-N -1 1 399.270 3.184 20 5 GGBDMM CCc1[n-][nH]c(=NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1Br ZINC000473956027 567119502 /nfs/dbraw/zinc/11/95/02/567119502.db2.gz BDMZFQXUOMQHFO-QMMMGPOBSA-N -1 1 399.270 3.184 20 5 GGBDMM CC(C)(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000522800555 567131740 /nfs/dbraw/zinc/13/17/40/567131740.db2.gz CVJBTCQHINDIOI-ABAIWWIYSA-N -1 1 390.889 3.368 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c(Br)c1 ZINC000588906214 567144827 /nfs/dbraw/zinc/14/48/27/567144827.db2.gz NLXIJHNUUTZNOT-UHFFFAOYSA-N -1 1 399.213 3.214 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1COc2ccc(Cl)cc21 ZINC000474296441 567156136 /nfs/dbraw/zinc/15/61/36/567156136.db2.gz WNIWLIYXTQRBQU-LLVKDONJSA-N -1 1 389.216 3.314 20 5 GGBDMM Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1Cl ZINC000524794063 567215467 /nfs/dbraw/zinc/21/54/67/567215467.db2.gz RABNMLHNOSSCGB-UHFFFAOYSA-N -1 1 384.797 3.129 20 5 GGBDMM C[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1c(Cl)cccc1Cl ZINC000525176037 567232979 /nfs/dbraw/zinc/23/29/79/567232979.db2.gz GHMRTMSNHJKHFA-SECBINFHSA-N -1 1 390.248 3.379 20 5 GGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(c2cccs2)CCCCC1 ZINC000525702370 567259886 /nfs/dbraw/zinc/25/98/86/567259886.db2.gz IKHWMTFJUDEPSE-UHFFFAOYSA-N -1 1 381.479 3.232 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1cc(F)cc(F)c1 ZINC000500378986 567317265 /nfs/dbraw/zinc/31/72/65/567317265.db2.gz MHUHWQHCOVZQDI-UHFFFAOYSA-N -1 1 376.768 3.047 20 5 GGBDMM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])o2)cs1 ZINC000477165153 567376543 /nfs/dbraw/zinc/37/65/43/567376543.db2.gz PKGSLLGAUXLYTN-UHFFFAOYSA-N -1 1 379.419 3.098 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccccc1Br ZINC000618382376 567386321 /nfs/dbraw/zinc/38/63/21/567386321.db2.gz WYCDNVYXVZISHB-ZDUSSCGKSA-N -1 1 392.209 3.435 20 5 GGBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2cc3ccccc3s2)c([N+](=O)[O-])n1 ZINC000549520284 567395013 /nfs/dbraw/zinc/39/50/13/567395013.db2.gz NJHUXEQKRHTYIF-JTQLQIEISA-N -1 1 380.451 3.065 20 5 GGBDMM COc1ccc(CNC(=O)c2cc(Br)ccc2[O-])cc1[N+](=O)[O-] ZINC000436826761 567456449 /nfs/dbraw/zinc/45/64/49/567456449.db2.gz PWVYUSQDRPIBBB-UHFFFAOYSA-N -1 1 381.182 3.002 20 5 GGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000570790641 567513695 /nfs/dbraw/zinc/51/36/95/567513695.db2.gz KRUYNZXZMFAMHP-GXTWGEPZSA-N -1 1 381.841 3.258 20 5 GGBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C ZINC000438223193 567523405 /nfs/dbraw/zinc/52/34/05/567523405.db2.gz DFLDFVJLTHBMDL-UHFFFAOYSA-N -1 1 378.332 3.008 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)cc1[N+](=O)[O-] ZINC000439259981 567577778 /nfs/dbraw/zinc/57/77/78/567577778.db2.gz OBXVOQKRNLPHCE-UHFFFAOYSA-N -1 1 376.419 3.223 20 5 GGBDMM CCc1[n-][nH]c(=NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1Br ZINC000439510226 567590755 /nfs/dbraw/zinc/59/07/55/567590755.db2.gz LJKQYFRPDAYUJT-UHFFFAOYSA-N -1 1 381.230 3.440 20 5 GGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Br)cc1F ZINC000571933615 567599663 /nfs/dbraw/zinc/59/96/63/567599663.db2.gz CNSHFGSGJACWHB-ZETCQYMHSA-N -1 1 384.161 3.088 20 5 GGBDMM COC1CCC(C)(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000480443883 567605843 /nfs/dbraw/zinc/60/58/43/567605843.db2.gz UAJXPRQNBSYPCF-UHFFFAOYSA-N -1 1 376.862 3.122 20 5 GGBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)c1 ZINC000442941181 567718514 /nfs/dbraw/zinc/71/85/14/567718514.db2.gz HGCYJLGHNDIRCC-ZDUSSCGKSA-N -1 1 378.303 3.316 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1ccc2[nH]ccc2c1 ZINC000443093604 567731327 /nfs/dbraw/zinc/73/13/27/567731327.db2.gz NAGBRVMJFUVNJS-UHFFFAOYSA-N -1 1 379.825 3.251 20 5 GGBDMM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(Cl)c1 ZINC000574114465 567756707 /nfs/dbraw/zinc/75/67/07/567756707.db2.gz FYAMELCSDZOLHG-CQSZACIVSA-N -1 1 388.804 3.053 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOc1ccccc1Cl ZINC000443740653 567773855 /nfs/dbraw/zinc/77/38/55/567773855.db2.gz BJNCHCIHAJAQMF-UHFFFAOYSA-N -1 1 391.232 3.259 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000533895030 567791656 /nfs/dbraw/zinc/79/16/56/567791656.db2.gz HLGILKGGCVZLNM-UHFFFAOYSA-N -1 1 391.188 3.431 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c1C ZINC000533897863 567791803 /nfs/dbraw/zinc/79/18/03/567791803.db2.gz XRYLUWDIAUVAHH-UHFFFAOYSA-N -1 1 384.797 3.395 20 5 GGBDMM Nc1c(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)cc(F)cc1[N+](=O)[O-] ZINC000534553187 567814238 /nfs/dbraw/zinc/81/42/38/567814238.db2.gz GKRQXDJFSIKYQT-UHFFFAOYSA-N -1 1 381.776 3.095 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000006897776 570695071 /nfs/dbraw/zinc/69/50/71/570695071.db2.gz NQEKHFZXPGWAEZ-UHFFFAOYSA-N -1 1 392.311 3.303 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2OCC(F)(F)F)ccc1[O-] ZINC000012525884 570830262 /nfs/dbraw/zinc/83/02/62/570830262.db2.gz QQFXLITZGSWLHJ-UHFFFAOYSA-N -1 1 392.311 3.042 20 5 GGBDMM CCCCSc1nnc(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)s1 ZINC000821077370 599284067 /nfs/dbraw/zinc/28/40/67/599284067.db2.gz COCSDGYXPHAJEX-UHFFFAOYSA-N -1 1 396.483 3.065 20 5 GGBDMM O=[N+]([O-])c1cnc(Sc2ccccc2Br)c(-c2nn[n-]n2)c1 ZINC000823651084 599321909 /nfs/dbraw/zinc/32/19/09/599321909.db2.gz FEGHWTFAKFEJTI-UHFFFAOYSA-N -1 1 379.199 3.084 20 5 GGBDMM O=C([O-])[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000739500606 599788887 /nfs/dbraw/zinc/78/88/87/599788887.db2.gz QMPNLKVHKDMCFA-AWEZNQCLSA-N -1 1 383.173 3.412 20 5 GGBDMM O=C([O-])[C@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000739500608 599788924 /nfs/dbraw/zinc/78/89/24/599788924.db2.gz QMPNLKVHKDMCFA-CQSZACIVSA-N -1 1 383.173 3.412 20 5 GGBDMM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000738069127 599790702 /nfs/dbraw/zinc/79/07/02/599790702.db2.gz YDHRZTUPXHOIPM-OAHLLOKOSA-N -1 1 395.209 3.281 20 5 GGBDMM O=C([O-])C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1 ZINC000776673577 600803851 /nfs/dbraw/zinc/80/38/51/600803851.db2.gz NIYGHPGYDFIUBV-CQSZACIVSA-N -1 1 388.767 3.070 20 5 GGBDMM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000828296005 601108566 /nfs/dbraw/zinc/10/85/66/601108566.db2.gz ROIRKPIJOLIETQ-OAHLLOKOSA-N -1 1 397.431 3.030 20 5 GGBDMM Cc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@H](C(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000832941972 601527345 /nfs/dbraw/zinc/52/73/45/601527345.db2.gz PYSQEBLBIWBMTC-ALKREAHSSA-N -1 1 397.431 3.236 20 5 GGBDMM CCN1C[C@@H](C)[C@@H](Nc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829754792 601564962 /nfs/dbraw/zinc/56/49/62/601564962.db2.gz YEHMZCAGCSKKJO-ACJLOTCBSA-N -1 1 397.431 3.276 20 5 GGBDMM Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000832885896 601782846 /nfs/dbraw/zinc/78/28/46/601782846.db2.gz OTRWROJKKWKLJT-UHFFFAOYSA-N -1 1 385.785 3.447 20 5 GGBDMM Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(N(C)C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000832885684 601782948 /nfs/dbraw/zinc/78/29/48/601782948.db2.gz KLKQGQOGBRCNBF-UHFFFAOYSA-N -1 1 399.812 3.472 20 5 GGBDMM Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@](C)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000263577299 601947110 /nfs/dbraw/zinc/94/71/10/601947110.db2.gz RJXKUCJVIQLCQD-WIYYLYMNSA-N -1 1 397.431 3.380 20 5 GGBDMM COc1cc(S(=O)(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000832097691 602308136 /nfs/dbraw/zinc/30/81/36/602308136.db2.gz JHTUOEFCIBECOL-UHFFFAOYSA-N -1 1 394.405 3.226 20 5 GGBDMM CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833694245 604775493 /nfs/dbraw/zinc/77/54/93/604775493.db2.gz MEXFMVNWSWEMMW-HNNXBMFYSA-N -1 1 395.209 3.321 20 5 GGBDMM CCc1cc(CNc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000833672040 605036496 /nfs/dbraw/zinc/03/64/96/605036496.db2.gz WMXXGCKNIOQXPA-UHFFFAOYSA-N -1 1 394.387 3.422 20 5 GGBDMM CC(C)(C(=O)[O-])[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000833412864 605182934 /nfs/dbraw/zinc/18/29/34/605182934.db2.gz DDOLVUSMGHVOSH-SFHVURJKSA-N -1 1 386.404 3.403 20 5 GGBDMM CC(C)OCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000833505274 605327358 /nfs/dbraw/zinc/32/73/58/605327358.db2.gz HOBVVMQUQOHKEO-UHFFFAOYSA-N -1 1 394.405 3.019 20 5 GGBDMM O=[N+]([O-])c1ccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c(Br)c1 ZINC000823645588 606468175 /nfs/dbraw/zinc/46/81/75/606468175.db2.gz ULOMABMASISQOK-UHFFFAOYSA-N -1 1 397.576 3.378 20 5 GGBDMM O=[N+]([O-])c1ccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)c(Br)c1 ZINC000823645588 606468177 /nfs/dbraw/zinc/46/81/77/606468177.db2.gz ULOMABMASISQOK-UHFFFAOYSA-N -1 1 397.576 3.378 20 5 GGBDMM Cc1cc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1Oc1cccnc1 ZINC000822210937 606701392 /nfs/dbraw/zinc/70/13/92/606701392.db2.gz XOYARSRQEYDZDQ-UHFFFAOYSA-N -1 1 390.363 3.409 20 5 GGBDMM Cc1cc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1Oc1cccnc1 ZINC000822210937 606701393 /nfs/dbraw/zinc/70/13/93/606701393.db2.gz XOYARSRQEYDZDQ-UHFFFAOYSA-N -1 1 390.363 3.409 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cccc(COc2ccccc2)c1 ZINC000823625129 606702008 /nfs/dbraw/zinc/70/20/08/606702008.db2.gz PXOZJKBIHDFKEC-UHFFFAOYSA-N -1 1 389.375 3.493 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1cccc(COc2ccccc2)c1 ZINC000823625129 606702010 /nfs/dbraw/zinc/70/20/10/606702010.db2.gz PXOZJKBIHDFKEC-UHFFFAOYSA-N -1 1 389.375 3.493 20 5 GGBDMM Cc1cc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1OCC(F)(F)F ZINC000822210876 606712175 /nfs/dbraw/zinc/71/21/75/606712175.db2.gz UOHJIIOZBWOECU-UHFFFAOYSA-N -1 1 395.301 3.163 20 5 GGBDMM Cc1cc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1OCC(F)(F)F ZINC000822210876 606712176 /nfs/dbraw/zinc/71/21/76/606712176.db2.gz UOHJIIOZBWOECU-UHFFFAOYSA-N -1 1 395.301 3.163 20 5 GGBDMM Cc1ccc([C@H]2OCCC[C@@H]2CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822233338 606713990 /nfs/dbraw/zinc/71/39/90/606713990.db2.gz MXHJSOYMAOAVJM-RHSMWYFYSA-N -1 1 395.423 3.058 20 5 GGBDMM Cc1ccc([C@H]2OCCC[C@@H]2CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000822233338 606713991 /nfs/dbraw/zinc/71/39/91/606713991.db2.gz MXHJSOYMAOAVJM-RHSMWYFYSA-N -1 1 395.423 3.058 20 5 GGBDMM CCc1nnc(Oc2cc([N+](=O)[O-])c(Cl)cc2C)c(-c2nnn[n-]2)c1CC ZINC000821548811 606937712 /nfs/dbraw/zinc/93/77/12/606937712.db2.gz ZLAWJNCJKKOCRU-UHFFFAOYSA-N -1 1 389.803 3.444 20 5 GGBDMM CCc1nnc(Oc2cc([N+](=O)[O-])c(Cl)cc2C)c(-c2nn[n-]n2)c1CC ZINC000821548811 606937713 /nfs/dbraw/zinc/93/77/13/606937713.db2.gz ZLAWJNCJKKOCRU-UHFFFAOYSA-N -1 1 389.803 3.444 20 5 GGBDMM C[C@@H](Cc1ccccc1C(F)(F)F)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000824458729 609565979 /nfs/dbraw/zinc/56/59/79/609565979.db2.gz YIZZCBBSRIDUTC-VIFPVBQESA-N -1 1 393.329 3.232 20 5 GGBDMM C[C@@H](Cc1ccccc1C(F)(F)F)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000824458729 609565981 /nfs/dbraw/zinc/56/59/81/609565981.db2.gz YIZZCBBSRIDUTC-VIFPVBQESA-N -1 1 393.329 3.232 20 5 GGBDMM COC1CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000053896924 1406548748 /nfs/dbraw/zinc/54/87/48/1406548748.db2.gz PYXKHVRFHGEHMO-UHFFFAOYSA-N -1 1 391.449 3.011 20 5 GGBDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3C)cc2C[C@@H]1C ZINC000054304974 1406686277 /nfs/dbraw/zinc/68/62/77/1406686277.db2.gz ZCNKGRUSLHJJQA-LBPRGKRZSA-N -1 1 389.433 3.002 20 5 GGBDMM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000007612579 1398712989 /nfs/dbraw/zinc/71/29/89/1398712989.db2.gz CVURCRPIIWXHGE-UHFFFAOYSA-N -1 1 395.824 3.176 20 5 GGBDMM CN(Cc1cccnc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000008052285 1398797096 /nfs/dbraw/zinc/79/70/96/1398797096.db2.gz RCOOCVRIKWAFOA-UHFFFAOYSA-N -1 1 398.444 3.427 20 5 GGBDMM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000008840563 1398847327 /nfs/dbraw/zinc/84/73/27/1398847327.db2.gz LIEHUGXLHMMGHH-UHFFFAOYSA-N -1 1 389.433 3.085 20 5 GGBDMM CCc1cc2c(COC(=O)COc3ccc([N+](=O)[O-])cc3)cc(=O)oc2cc1[O-] ZINC000009607800 1398861100 /nfs/dbraw/zinc/86/11/00/1398861100.db2.gz WDNPLYLBCNHAMJ-UHFFFAOYSA-N -1 1 399.355 3.091 20 5 GGBDMM CCc1cc2c(COC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc(=O)oc2cc1[O-] ZINC000011342193 1398971775 /nfs/dbraw/zinc/97/17/75/1398971775.db2.gz YUTOHUFAJHNQAE-UHFFFAOYSA-N -1 1 399.355 3.335 20 5 GGBDMM O=C(c1ccc2ccccc2c1[O-])N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000018078219 1399299524 /nfs/dbraw/zinc/29/95/24/1399299524.db2.gz HZEPUKYZICEUSP-UHFFFAOYSA-N -1 1 377.400 3.416 20 5 GGBDMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000055595052 1407018224 /nfs/dbraw/zinc/01/82/24/1407018224.db2.gz CNZMZPGWOKPZEA-UHFFFAOYSA-N -1 1 377.422 3.361 20 5 GGBDMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000055595520 1407019220 /nfs/dbraw/zinc/01/92/20/1407019220.db2.gz QRKKNVHAAHZWRG-UHFFFAOYSA-N -1 1 389.433 3.361 20 5 GGBDMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000020462521 1399347247 /nfs/dbraw/zinc/34/72/47/1399347247.db2.gz CWCCNKYYKVPTRI-UHFFFAOYSA-N -1 1 387.373 3.241 20 5 GGBDMM CCCCCc1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000020676324 1399352273 /nfs/dbraw/zinc/35/22/73/1399352273.db2.gz BRPCUYJDSJOXNR-UHFFFAOYSA-N -1 1 378.410 3.203 20 5 GGBDMM COC(=O)c1cc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)ccc2o1 ZINC000055610161 1407023657 /nfs/dbraw/zinc/02/36/57/1407023657.db2.gz NDPCILGXHQFHFG-UHFFFAOYSA-N -1 1 390.373 3.237 20 5 GGBDMM CCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000021874622 1399418386 /nfs/dbraw/zinc/41/83/86/1399418386.db2.gz HDDMNZHBQDFTOR-UHFFFAOYSA-N -1 1 391.449 3.234 20 5 GGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC[C@H]2CCCO2)cc1 ZINC000055631476 1407031089 /nfs/dbraw/zinc/03/10/89/1407031089.db2.gz RVOBKTOLZHETFG-QGZVFWFLSA-N -1 1 392.433 3.262 20 5 GGBDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000055638756 1407035463 /nfs/dbraw/zinc/03/54/63/1407035463.db2.gz WERNLOAUPRAAPI-UHFFFAOYSA-N -1 1 377.422 3.443 20 5 GGBDMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000055674433 1407051057 /nfs/dbraw/zinc/05/10/57/1407051057.db2.gz KWSGMRIPBWBKMQ-UHFFFAOYSA-N -1 1 377.422 3.279 20 5 GGBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1F ZINC000025510001 1399814432 /nfs/dbraw/zinc/81/44/32/1399814432.db2.gz QVVZUSYMCBASOU-UHFFFAOYSA-N -1 1 387.776 3.147 20 5 GGBDMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)cc1 ZINC000026540638 1399898526 /nfs/dbraw/zinc/89/85/26/1399898526.db2.gz NKUBCJHBQWOEKI-UHFFFAOYSA-N -1 1 393.465 3.097 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)C2CC2)c1 ZINC000028250736 1400143311 /nfs/dbraw/zinc/14/33/11/1400143311.db2.gz OJKMJILZQXMYBR-UHFFFAOYSA-N -1 1 375.406 3.053 20 5 GGBDMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)cc1 ZINC000029433761 1400298656 /nfs/dbraw/zinc/29/86/56/1400298656.db2.gz FOTVMJLJRBQWGB-CYBMUJFWSA-N -1 1 393.465 3.313 20 5 GGBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C(C)(C)C)s2)cc1OC ZINC000055975964 1407156130 /nfs/dbraw/zinc/15/61/30/1407156130.db2.gz SJROLJUGLWYBFD-UHFFFAOYSA-N -1 1 380.426 3.403 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OC[C@@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000044857836 1404013737 /nfs/dbraw/zinc/01/37/37/1404013737.db2.gz CHYPGACADGTANZ-INIZCTEOSA-N -1 1 392.433 3.262 20 5 GGBDMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc([N+](=O)[O-])o1 ZINC000046588322 1404495335 /nfs/dbraw/zinc/49/53/35/1404495335.db2.gz RXQMBHIIWFROMC-UHFFFAOYSA-N -1 1 387.373 3.241 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccccc1)c1ccccn1 ZINC000047671068 1404890735 /nfs/dbraw/zinc/89/07/35/1404890735.db2.gz WOUJATXVPRTDPS-QGZVFWFLSA-N -1 1 387.392 3.197 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cccc(C(F)(F)F)c1 ZINC000047670950 1404890770 /nfs/dbraw/zinc/89/07/70/1404890770.db2.gz SBKQZFPDZJFYML-UHFFFAOYSA-N -1 1 378.303 3.231 20 5 GGBDMM Cc1nc(-c2ccccc2)sc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737464646 1426396104 /nfs/dbraw/zinc/39/61/04/1426396104.db2.gz SJBFCDRNEROTTP-UHFFFAOYSA-N -1 1 394.420 3.214 20 5 GGBDMM O=C([N-]c1nnc(Cc2ccccc2)s1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066269621 1408800694 /nfs/dbraw/zinc/80/06/94/1408800694.db2.gz UXLIDLVMQSQPPO-UHFFFAOYSA-N -1 1 398.400 3.061 20 5 GGBDMM O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000068424807 1409398471 /nfs/dbraw/zinc/39/84/71/1409398471.db2.gz FYEDBVGDGISPBV-UHFFFAOYSA-N -1 1 391.428 3.343 20 5 GGBDMM CC(C)n1c(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)n[n-]c1=S ZINC000068447319 1409405226 /nfs/dbraw/zinc/40/52/26/1409405226.db2.gz CZGURPPLPUSGSU-UHFFFAOYSA-N -1 1 375.454 3.450 20 5 GGBDMM CC(C)n1c(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n[n-]c1=S ZINC000068447161 1409405346 /nfs/dbraw/zinc/40/53/46/1409405346.db2.gz OBENGOBBLLTCJG-UHFFFAOYSA-N -1 1 375.454 3.450 20 5 GGBDMM CCn1c(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)n[n-]c1=S ZINC000068453959 1409408232 /nfs/dbraw/zinc/40/82/32/1409408232.db2.gz BWIBHTCCVZDSAL-UHFFFAOYSA-N -1 1 375.454 3.197 20 5 GGBDMM CCOc1cc(C(=O)[N-]c2n[nH]c(-c3ccc(C)cc3)n2)c([N+](=O)[O-])cc1OC ZINC000070724892 1409758811 /nfs/dbraw/zinc/75/88/11/1409758811.db2.gz GLUYDNBWWRUHLZ-UHFFFAOYSA-N -1 1 397.391 3.348 20 5 GGBDMM CCC[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000176784568 1428459933 /nfs/dbraw/zinc/45/99/33/1428459933.db2.gz JLJPJZLTAUTPAI-OAHLLOKOSA-N -1 1 381.396 3.123 20 5 GGBDMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])c(C)c3)cc2F)c1 ZINC000093930745 1410287412 /nfs/dbraw/zinc/28/74/12/1410287412.db2.gz HYWICXZNUBDAKA-UHFFFAOYSA-N -1 1 390.396 3.337 20 5 GGBDMM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000097028881 1410347312 /nfs/dbraw/zinc/34/73/12/1410347312.db2.gz QFFIWAKYYDJPGB-UHFFFAOYSA-N -1 1 397.431 3.102 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCN(c2ccccc2)C1 ZINC000101573988 1410469722 /nfs/dbraw/zinc/46/97/22/1410469722.db2.gz ULODUTDVHWEILA-ZDUSSCGKSA-N -1 1 395.868 3.053 20 5 GGBDMM CC(C)c1nc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cs1 ZINC000102412748 1410622630 /nfs/dbraw/zinc/62/26/30/1410622630.db2.gz TVQLVICKYJHTMF-UHFFFAOYSA-N -1 1 389.886 3.349 20 5 GGBDMM CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccnc1 ZINC000177019173 1428556468 /nfs/dbraw/zinc/55/64/68/1428556468.db2.gz MBGWUNXEVPEFDZ-CQSZACIVSA-N -1 1 383.857 3.361 20 5 GGBDMM CC(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccnc1 ZINC000177019188 1428556720 /nfs/dbraw/zinc/55/67/20/1428556720.db2.gz MBGWUNXEVPEFDZ-AWEZNQCLSA-N -1 1 383.857 3.361 20 5 GGBDMM Cc1ccsc1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000108270863 1411462813 /nfs/dbraw/zinc/46/28/13/1411462813.db2.gz CPWXYTNSSKTGJO-UHFFFAOYSA-N -1 1 391.268 3.206 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)ccc1Cl ZINC000109423943 1411759875 /nfs/dbraw/zinc/75/98/75/1411759875.db2.gz FWIMVIOPRYQCSE-UHFFFAOYSA-N -1 1 378.797 3.235 20 5 GGBDMM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cs1 ZINC000111363571 1411924318 /nfs/dbraw/zinc/92/43/18/1411924318.db2.gz LTNOYQUMBISEFW-MRVPVSSYSA-N -1 1 375.859 3.307 20 5 GGBDMM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cs1 ZINC000111363574 1411925477 /nfs/dbraw/zinc/92/54/77/1411925477.db2.gz LTNOYQUMBISEFW-QMMMGPOBSA-N -1 1 375.859 3.307 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCc1nccs1 ZINC000112074771 1412073922 /nfs/dbraw/zinc/07/39/22/1412073922.db2.gz ZITMDUSWCLQBSY-UHFFFAOYSA-N -1 1 390.446 3.464 20 5 GGBDMM O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470306 1428627066 /nfs/dbraw/zinc/62/70/66/1428627066.db2.gz LRTNHGYLFPBMBK-UHFFFAOYSA-N -1 1 392.400 3.193 20 5 GGBDMM CC(C)(CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[C@H]1CCCCO1 ZINC000819984035 1428690025 /nfs/dbraw/zinc/69/00/25/1428690025.db2.gz NYODAHSUHBYMMI-MRXNPFEDSA-N -1 1 397.439 3.330 20 5 GGBDMM COC(=O)c1cc([N-]C(=O)c2cc(-c3ccccc3F)on2)cc([N+](=O)[O-])c1 ZINC000118723412 1413209952 /nfs/dbraw/zinc/20/99/52/1413209952.db2.gz NJZMSJGHKOTVCB-UHFFFAOYSA-N -1 1 385.307 3.428 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(C)c1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822271161 1428712565 /nfs/dbraw/zinc/71/25/65/1428712565.db2.gz OXGIDVUXEAAYIF-UHFFFAOYSA-N -1 1 392.379 3.054 20 5 GGBDMM CC[C@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820920146 1428723594 /nfs/dbraw/zinc/72/35/94/1428723594.db2.gz LUPBADFBWDHYBH-PXAZEXFGSA-N -1 1 395.423 3.286 20 5 GGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000119534504 1413478551 /nfs/dbraw/zinc/47/85/51/1413478551.db2.gz AKNXAAALMBYBHF-CQSZACIVSA-N -1 1 390.339 3.185 20 5 GGBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000119575902 1413491219 /nfs/dbraw/zinc/49/12/19/1413491219.db2.gz NIVCEOGMYXPSDY-QMMMGPOBSA-N -1 1 378.378 3.297 20 5 GGBDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC000119687325 1413531910 /nfs/dbraw/zinc/53/19/10/1413531910.db2.gz XMLMPYLXIGNHMD-UHFFFAOYSA-N -1 1 383.813 3.316 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)cs1 ZINC000120135339 1413702143 /nfs/dbraw/zinc/70/21/43/1413702143.db2.gz YFELZJPLPDYAOF-UHFFFAOYSA-N -1 1 376.828 3.115 20 5 GGBDMM COc1cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)ccc1[N+](=O)[O-] ZINC000121358537 1414093944 /nfs/dbraw/zinc/09/39/44/1414093944.db2.gz BWAKXGFFKQHHNT-UHFFFAOYSA-N -1 1 395.412 3.144 20 5 GGBDMM Cc1c(C(=O)[N-]c2nnc(C(F)(F)F)s2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000122128042 1414369360 /nfs/dbraw/zinc/36/93/60/1414369360.db2.gz XUPGBROCLIICNK-UHFFFAOYSA-N -1 1 391.287 3.242 20 5 GGBDMM C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497352 1428810534 /nfs/dbraw/zinc/81/05/34/1428810534.db2.gz QOZBMOPVHQXELX-JTQLQIEISA-N -1 1 387.783 3.275 20 5 GGBDMM O=[N+]([O-])c1cc(Br)cnc1Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823634826 1428824192 /nfs/dbraw/zinc/82/41/92/1428824192.db2.gz MTJNIFWDCRBUEX-UHFFFAOYSA-N -1 1 397.576 3.378 20 5 GGBDMM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)c1ccc(C)o1 ZINC000124441749 1414969516 /nfs/dbraw/zinc/96/95/16/1414969516.db2.gz YIUIPGILNJAJOQ-LBPRGKRZSA-N -1 1 388.829 3.124 20 5 GGBDMM C[C@H](O)C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000124687818 1415021956 /nfs/dbraw/zinc/02/19/56/1415021956.db2.gz PZMZVQARKJDQCW-JSGCOSHPSA-N -1 1 398.868 3.081 20 5 GGBDMM Cc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000822238494 1428875063 /nfs/dbraw/zinc/87/50/63/1428875063.db2.gz JWOORXDXNGRPOJ-UHFFFAOYSA-N -1 1 383.412 3.268 20 5 GGBDMM C[C@@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824754546 1428920676 /nfs/dbraw/zinc/92/06/76/1428920676.db2.gz INWWYMGGGDVCSN-LLVKDONJSA-N -1 1 384.421 3.035 20 5 GGBDMM O=C(c1cccc(Cl)c1[N+](=O)[O-])N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823493163 1428910380 /nfs/dbraw/zinc/91/03/80/1428910380.db2.gz GPFQXXSDXDXFRP-UHFFFAOYSA-N -1 1 398.810 3.233 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737369516 1428980246 /nfs/dbraw/zinc/98/02/46/1428980246.db2.gz VSQXWTMKTAHNRM-GFCCVEGCSA-N -1 1 381.396 3.274 20 5 GGBDMM CC(C)(C)OC(=O)CCC(C)(C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000819976117 1429026211 /nfs/dbraw/zinc/02/62/11/1429026211.db2.gz MUFDNYIBAJHIOC-UHFFFAOYSA-N -1 1 376.417 3.087 20 5 GGBDMM Cc1nn(C)c(C(=O)[N-]c2nnc(SCc3ccccc3)s2)c1[N+](=O)[O-] ZINC000128649716 1416034025 /nfs/dbraw/zinc/03/40/25/1416034025.db2.gz JUTMVFVKQRTJLM-UHFFFAOYSA-N -1 1 390.450 3.033 20 5 GGBDMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000129224746 1416174317 /nfs/dbraw/zinc/17/43/17/1416174317.db2.gz JPUQBJRODJARFD-UHFFFAOYSA-N -1 1 386.227 3.049 20 5 GGBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)ccc1Br ZINC000129820849 1416268779 /nfs/dbraw/zinc/26/87/79/1416268779.db2.gz MFZUEEJKANHHGU-UHFFFAOYSA-N -1 1 399.222 3.093 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000129821755 1416269257 /nfs/dbraw/zinc/26/92/57/1416269257.db2.gz YSLPWKXKOTVSMM-UHFFFAOYSA-N -1 1 387.211 3.167 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC000130489181 1416387038 /nfs/dbraw/zinc/38/70/38/1416387038.db2.gz RLKLMTGTAPDANV-UHFFFAOYSA-N -1 1 393.165 3.436 20 5 GGBDMM Cc1nnc([N-]C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)s1 ZINC000131360910 1416545434 /nfs/dbraw/zinc/54/54/34/1416545434.db2.gz MEZOISQICKGGHM-UHFFFAOYSA-N -1 1 377.607 3.423 20 5 GGBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cn2cccn2)c1 ZINC000132318527 1416735184 /nfs/dbraw/zinc/73/51/84/1416735184.db2.gz ZZRWLVJFXVMJNC-UHFFFAOYSA-N -1 1 390.396 3.088 20 5 GGBDMM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000133278124 1416873477 /nfs/dbraw/zinc/87/34/77/1416873477.db2.gz HLXMTQYVUDZBPD-OKILXGFUSA-N -1 1 391.449 3.009 20 5 GGBDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1N1CCSCC1 ZINC000133815702 1416969571 /nfs/dbraw/zinc/96/95/71/1416969571.db2.gz RHBURKFNYBURHL-UHFFFAOYSA-N -1 1 393.490 3.257 20 5 GGBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)ccc1F ZINC000135294312 1417204208 /nfs/dbraw/zinc/20/42/08/1417204208.db2.gz JLHGKYNVDKGOLI-UHFFFAOYSA-N -1 1 387.776 3.147 20 5 GGBDMM O=[N+]([O-])c1ccc(N[C@@H](c2nccs2)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738370934 1429169894 /nfs/dbraw/zinc/16/98/94/1429169894.db2.gz SSVZBXPSBSJEOO-OAHLLOKOSA-N -1 1 379.405 3.433 20 5 GGBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)c2C)o1 ZINC000135405183 1417215190 /nfs/dbraw/zinc/21/51/90/1417215190.db2.gz ZQWWAASZCGHKQF-UHFFFAOYSA-N -1 1 376.394 3.304 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2[nH]nc(-c3ccc(C)o3)c2C)c([N+](=O)[O-])c1 ZINC000135402900 1417215248 /nfs/dbraw/zinc/21/52/48/1417215248.db2.gz GFIONNLRXLSPER-UHFFFAOYSA-N -1 1 392.393 3.004 20 5 GGBDMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])c2C)o1 ZINC000135407665 1417215791 /nfs/dbraw/zinc/21/57/91/1417215791.db2.gz PGGRGKGYVAJVTJ-UHFFFAOYSA-N -1 1 376.394 3.304 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc2nc(C(F)F)[nH]c2c1 ZINC000135507442 1417230643 /nfs/dbraw/zinc/23/06/43/1417230643.db2.gz OREMXWSSDHNGMY-UHFFFAOYSA-N -1 1 386.311 3.349 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)cc1[N+](=O)[O-] ZINC000135511214 1417231473 /nfs/dbraw/zinc/23/14/73/1417231473.db2.gz MHMOXRNHFDPVFA-UHFFFAOYSA-N -1 1 398.347 3.218 20 5 GGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824332945 1429186620 /nfs/dbraw/zinc/18/66/20/1429186620.db2.gz BDTNGETTWNSYBZ-ZDUSSCGKSA-N -1 1 382.424 3.413 20 5 GGBDMM COC[C@@H](C)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000140441261 1417503510 /nfs/dbraw/zinc/50/35/10/1417503510.db2.gz MQORINNQORXIRE-ZDUSSCGKSA-N -1 1 379.438 3.090 20 5 GGBDMM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000823345705 1429190289 /nfs/dbraw/zinc/19/02/89/1429190289.db2.gz CAJNRXIROPQVSI-UHFFFAOYSA-N -1 1 396.260 3.185 20 5 GGBDMM CCOCCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000148460537 1417764578 /nfs/dbraw/zinc/76/45/78/1417764578.db2.gz CTIIMDLRLGYSRW-UHFFFAOYSA-N -1 1 380.422 3.119 20 5 GGBDMM COc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000150795343 1417808081 /nfs/dbraw/zinc/80/80/81/1417808081.db2.gz ODUDQIDHDPGAAE-AWEZNQCLSA-N -1 1 390.339 3.185 20 5 GGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000150926403 1417836545 /nfs/dbraw/zinc/83/65/45/1417836545.db2.gz BKYKSQDEOVTJHJ-LLVKDONJSA-N -1 1 398.202 3.296 20 5 GGBDMM Cc1c(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cnn1-c1ccccc1F ZINC000822128265 1429297258 /nfs/dbraw/zinc/29/72/58/1429297258.db2.gz AHCCPPAOUYSUCM-UHFFFAOYSA-N -1 1 380.343 3.152 20 5 GGBDMM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(-n2cccn2)cc1 ZINC000820462599 1429309544 /nfs/dbraw/zinc/30/95/44/1429309544.db2.gz YWWUTUJQJVQREF-LBPRGKRZSA-N -1 1 376.380 3.134 20 5 GGBDMM CCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825380530 1429333809 /nfs/dbraw/zinc/33/38/09/1429333809.db2.gz QBJDCEATVLRKJH-UHFFFAOYSA-N -1 1 386.799 3.403 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1SCc1cccc(OC(F)F)c1 ZINC000823630094 1429499750 /nfs/dbraw/zinc/49/97/50/1429499750.db2.gz QZGLYVSMQFQHQT-UHFFFAOYSA-N -1 1 380.336 3.064 20 5 GGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000152968792 1422311502 /nfs/dbraw/zinc/31/15/02/1422311502.db2.gz DICSQCVOZXUFRC-GFCCVEGCSA-N -1 1 391.811 3.280 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c(C)c1 ZINC000153188789 1422386983 /nfs/dbraw/zinc/38/69/83/1422386983.db2.gz LUIOQCCISSUAJL-UHFFFAOYSA-N -1 1 388.405 3.103 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3c(F)cccc3F)[nH]n2)c1 ZINC000153192504 1422387762 /nfs/dbraw/zinc/38/77/62/1422387762.db2.gz WKLCOBHYGZVJIZ-UHFFFAOYSA-N -1 1 380.332 3.064 20 5 GGBDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000153193086 1422388318 /nfs/dbraw/zinc/38/83/18/1422388318.db2.gz WPSBXMSRJVZAEO-UHFFFAOYSA-N -1 1 376.369 3.233 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1csc(-c2ccco2)n1 ZINC000153666574 1422693362 /nfs/dbraw/zinc/69/33/62/1422693362.db2.gz LTSWLIRJLPLING-UHFFFAOYSA-N -1 1 399.837 3.443 20 5 GGBDMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1 ZINC000154266040 1422864304 /nfs/dbraw/zinc/86/43/04/1422864304.db2.gz CIZZGPYOXVLZKM-UHFFFAOYSA-N -1 1 381.385 3.110 20 5 GGBDMM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000736629664 1423294308 /nfs/dbraw/zinc/29/43/08/1423294308.db2.gz YYVAWAYHAMRCLM-UHFFFAOYSA-N -1 1 389.755 3.046 20 5 GGBDMM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825958240 1423324038 /nfs/dbraw/zinc/32/40/38/1423324038.db2.gz OPVWGIKENNGGNM-UHFFFAOYSA-N -1 1 387.787 3.092 20 5 GGBDMM O=[N+]([O-])c1cnc(Nc2ccc(OCc3ccccc3)cc2)c(-c2nn[n-]n2)c1 ZINC000738375008 1423377550 /nfs/dbraw/zinc/37/75/50/1423377550.db2.gz XTCNJZUEHKNQDV-UHFFFAOYSA-N -1 1 389.375 3.493 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)cc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000738358188 1423496860 /nfs/dbraw/zinc/49/68/60/1423496860.db2.gz AQMSXMUKCWGPPT-UHFFFAOYSA-N -1 1 399.754 3.057 20 5 GGBDMM CN(CCc1ccccc1F)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821605221 1423587983 /nfs/dbraw/zinc/58/79/83/1423587983.db2.gz ZVSWTSSWVIYCHX-UHFFFAOYSA-N -1 1 393.382 3.141 20 5 GGBDMM O=[N+]([O-])c1ccc2sc(C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)nc2c1 ZINC000738366104 1429649744 /nfs/dbraw/zinc/64/97/44/1429649744.db2.gz CKYNRONQQDASSE-UTCJRWHESA-N -1 1 390.388 3.203 20 5 GGBDMM CC(C)C[C@@H](C)OCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824229668 1423595828 /nfs/dbraw/zinc/59/58/28/1423595828.db2.gz UKIZRNGMZHUYEI-SNVBAGLBSA-N -1 1 396.835 3.208 20 5 GGBDMM O=[N+]([O-])c1cnc(Oc2ccc(-c3nn[n-]n3)cc2Cl)c(Br)c1 ZINC000823651944 1423605253 /nfs/dbraw/zinc/60/52/53/1423605253.db2.gz SIIGEECAQYMBDW-UHFFFAOYSA-N -1 1 397.576 3.378 20 5 GGBDMM Cc1cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1Oc1cccnc1 ZINC000737277960 1423629990 /nfs/dbraw/zinc/62/99/90/1423629990.db2.gz CFWNUYNUUIUGQX-UHFFFAOYSA-N -1 1 390.363 3.409 20 5 GGBDMM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826454421 1423756331 /nfs/dbraw/zinc/75/63/31/1423756331.db2.gz VWMKNZKDXMWNNX-UHFFFAOYSA-N -1 1 396.260 3.185 20 5 GGBDMM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736204941 1423762100 /nfs/dbraw/zinc/76/21/00/1423762100.db2.gz UIXHGTKUMYYGPH-CQSZACIVSA-N -1 1 394.435 3.379 20 5 GGBDMM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736204941 1423762109 /nfs/dbraw/zinc/76/21/09/1423762109.db2.gz UIXHGTKUMYYGPH-CQSZACIVSA-N -1 1 394.435 3.379 20 5 GGBDMM Cc1cc(-c2nn[n-]n2)ccc1Oc1ncc([N+](=O)[O-])cc1Br ZINC000822145227 1423769173 /nfs/dbraw/zinc/76/91/73/1423769173.db2.gz PBJWRXULUHPBRE-UHFFFAOYSA-N -1 1 377.158 3.033 20 5 GGBDMM CC(C)(C)c1csc(C2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)n1 ZINC000156394994 1423804973 /nfs/dbraw/zinc/80/49/73/1423804973.db2.gz DTJHRZNSWRSZOB-UHFFFAOYSA-N -1 1 390.465 3.469 20 5 GGBDMM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)sc1C ZINC000826260332 1423946821 /nfs/dbraw/zinc/94/68/21/1423946821.db2.gz IZCXZZZRJGHMNG-UHFFFAOYSA-N -1 1 378.801 3.359 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1([C@H](O)c2ccccc2)CC1 ZINC000159288591 1424474420 /nfs/dbraw/zinc/47/44/20/1424474420.db2.gz VUTMGTDWIOTUBM-MRXNPFEDSA-N -1 1 396.852 3.040 20 5 GGBDMM COc1ccc([C@@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)N2CCCCC2)cc1 ZINC000159888780 1424549054 /nfs/dbraw/zinc/54/90/54/1424549054.db2.gz UTBBHEREOIOVRS-LJQANCHMSA-N -1 1 399.447 3.266 20 5 GGBDMM COc1c(F)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1F ZINC000160832865 1424637767 /nfs/dbraw/zinc/63/77/67/1424637767.db2.gz SJLKEERQEOEVQT-UHFFFAOYSA-N -1 1 376.312 3.130 20 5 GGBDMM Cc1ccc(OCc2ccc(-c3nnn[n-]3)cc2Br)c([N+](=O)[O-])c1 ZINC000826292282 1424656094 /nfs/dbraw/zinc/65/60/94/1424656094.db2.gz ORKGBEYKVAETKE-UHFFFAOYSA-N -1 1 390.197 3.425 20 5 GGBDMM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823187104 1424741039 /nfs/dbraw/zinc/74/10/39/1424741039.db2.gz BCGYBVBPYCMPQS-UHFFFAOYSA-N -1 1 399.386 3.058 20 5 GGBDMM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738210627 1424785859 /nfs/dbraw/zinc/78/58/59/1424785859.db2.gz SFQYCOFKDITZMR-UHFFFAOYSA-N -1 1 388.384 3.107 20 5 GGBDMM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H](O)c1c(F)cccc1Cl ZINC000820456556 1425007244 /nfs/dbraw/zinc/00/72/44/1425007244.db2.gz VHPMRCRVOYZSHL-ANRSDYALSA-N -1 1 392.778 3.101 20 5 GGBDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000180160455 1429770908 /nfs/dbraw/zinc/77/09/08/1429770908.db2.gz VSCPDRZILGPJFL-UHFFFAOYSA-N -1 1 377.422 3.361 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)N(C)CCC2 ZINC000180161637 1429773219 /nfs/dbraw/zinc/77/32/19/1429773219.db2.gz FTFLSISLVDPIIP-UHFFFAOYSA-N -1 1 375.450 3.395 20 5 GGBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)ccc1F ZINC000180159811 1429771013 /nfs/dbraw/zinc/77/10/13/1429771013.db2.gz MVXOKDRPNRPDIP-UHFFFAOYSA-N -1 1 381.385 3.110 20 5 GGBDMM C[C@@H](CN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1nccs1 ZINC000824413286 1425030984 /nfs/dbraw/zinc/03/09/84/1425030984.db2.gz KHXITSHIKRQASA-JTQLQIEISA-N -1 1 396.436 3.020 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000180159505 1429771677 /nfs/dbraw/zinc/77/16/77/1429771677.db2.gz FMKFQFFITOFZCW-UHFFFAOYSA-N -1 1 389.433 3.139 20 5 GGBDMM Cc1ccc(C)c([C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)[C@@H](C)CO2)c1 ZINC000822231700 1425099593 /nfs/dbraw/zinc/09/95/93/1425099593.db2.gz DTQKQONCHMYEKN-IFXJQAMLSA-N -1 1 394.435 3.358 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)cc1[N+](=O)[O-] ZINC000164761274 1425140746 /nfs/dbraw/zinc/14/07/46/1425140746.db2.gz RKPZDCFXIALMCE-UHFFFAOYSA-N -1 1 389.389 3.368 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCCC(F)(F)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645954 1425149142 /nfs/dbraw/zinc/14/91/42/1425149142.db2.gz XQHCQQHCMSBONK-SECBINFHSA-N -1 1 375.339 3.313 20 5 GGBDMM C[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000824724087 1425155177 /nfs/dbraw/zinc/15/51/77/1425155177.db2.gz YIJFCCHXIRUNTA-NSHDSACASA-N -1 1 390.359 3.241 20 5 GGBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165166129 1425168492 /nfs/dbraw/zinc/16/84/92/1425168492.db2.gz UTMYVAMYEMRFQS-UHFFFAOYSA-N -1 1 389.433 3.242 20 5 GGBDMM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826457383 1425249055 /nfs/dbraw/zinc/24/90/55/1425249055.db2.gz ZAZMINQRBSSZCL-UHFFFAOYSA-N -1 1 378.270 3.046 20 5 GGBDMM CC(=O)Nc1cccc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000170658854 1425280382 /nfs/dbraw/zinc/28/03/82/1425280382.db2.gz BMZIESBMOGBVQV-JTQLQIEISA-N -1 1 397.840 3.246 20 5 GGBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000170665666 1425284434 /nfs/dbraw/zinc/28/44/34/1425284434.db2.gz WQCXLNATXANLEC-SECBINFHSA-N -1 1 385.785 3.196 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000823648025 1425430359 /nfs/dbraw/zinc/43/03/59/1425430359.db2.gz RWUZZMGQCHYHIH-UHFFFAOYSA-N -1 1 399.754 3.057 20 5 GGBDMM COC(=O)C=Cc1ccc(Sc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000821657423 1425466563 /nfs/dbraw/zinc/46/65/63/1425466563.db2.gz NPANKSKNVGSCDE-VURMDHGXSA-N -1 1 383.389 3.112 20 5 GGBDMM CCN(Cc1cccs1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821231195 1425669619 /nfs/dbraw/zinc/66/96/19/1425669619.db2.gz YFEBMTHIPPPDCH-UHFFFAOYSA-N -1 1 381.421 3.411 20 5 GGBDMM COCc1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1F ZINC000171641861 1425769728 /nfs/dbraw/zinc/76/97/28/1425769728.db2.gz ANNJFRHFBDQWHM-UHFFFAOYSA-N -1 1 388.804 3.012 20 5 GGBDMM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826452140 1425989023 /nfs/dbraw/zinc/98/90/23/1425989023.db2.gz ITERPGVMLGVKFG-UHFFFAOYSA-N -1 1 379.163 3.334 20 5 GGBDMM O=[N+]([O-])c1cc(F)c(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c(F)c1 ZINC000826498246 1426034592 /nfs/dbraw/zinc/03/45/92/1426034592.db2.gz MSJSXYKJSKBPQH-UHFFFAOYSA-N -1 1 398.333 3.055 20 5 GGBDMM CCCOc1ccc2c(c1)CCN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC000821134467 1426040503 /nfs/dbraw/zinc/04/05/03/1426040503.db2.gz WJIHDBFUAYNOQO-UHFFFAOYSA-N -1 1 380.408 3.126 20 5 GGBDMM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825609449 1426120441 /nfs/dbraw/zinc/12/04/41/1426120441.db2.gz MEKJOFQWFKSIRT-UHFFFAOYSA-N -1 1 389.755 3.046 20 5 GGBDMM COCc1cc([N+](=O)[O-])ccc1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826164211 1426221957 /nfs/dbraw/zinc/22/19/57/1426221957.db2.gz IBUGWKCVOJMAGU-UHFFFAOYSA-N -1 1 392.419 3.215 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2nc(CSCc3ccnc(-c4nn[n-]n4)c3)co2)cc1 ZINC000826498309 1426243713 /nfs/dbraw/zinc/24/37/13/1426243713.db2.gz PBRROBWRCUUPMP-UHFFFAOYSA-N -1 1 395.404 3.258 20 5 GGBDMM O=[N+]([O-])c1ccc(N(Cc2ccco2)Cc2ccc(O)cc2)c(-c2nnn[n-]2)c1 ZINC000826498065 1426247347 /nfs/dbraw/zinc/24/73/47/1426247347.db2.gz GNZKXXIPZSDMNO-UHFFFAOYSA-N -1 1 392.375 3.280 20 5 GGBDMM Cc1ccc(-c2nc(CNc3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)co2)cc1 ZINC000826273765 1426249873 /nfs/dbraw/zinc/24/98/73/1426249873.db2.gz SSSSMPURYHKAEH-UHFFFAOYSA-N -1 1 377.364 3.350 20 5 GGBDMM CC(C)OC(=O)C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC000820142700 1426323071 /nfs/dbraw/zinc/32/30/71/1426323071.db2.gz RYPWTWRTEZRCPG-MRXNPFEDSA-N -1 1 396.407 3.270 20 5 GGBDMM O=[N+]([O-])c1ccc(N2CCC(c3ccc(F)c(F)c3)CC2)c(-c2nnn[n-]2)c1 ZINC000738368142 1426341678 /nfs/dbraw/zinc/34/16/78/1426341678.db2.gz ACELCELPCZOOFA-UHFFFAOYSA-N -1 1 386.362 3.437 20 5 GGBDMM CCN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825381139 1426415069 /nfs/dbraw/zinc/41/50/69/1426415069.db2.gz ZZXQTQQLTOYCID-UHFFFAOYSA-N -1 1 386.799 3.403 20 5 GGBDMM COc1cccc([C@@H]2C[C@H](C)CN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000826215769 1426432975 /nfs/dbraw/zinc/43/29/75/1426432975.db2.gz YNLCMIXSEFCDEA-SJCJKPOMSA-N -1 1 380.408 3.371 20 5 GGBDMM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826460421 1426486868 /nfs/dbraw/zinc/48/68/68/1426486868.db2.gz BYUNAWQOEQJVKF-UHFFFAOYSA-N -1 1 390.812 3.231 20 5 GGBDMM CC[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820920842 1426514059 /nfs/dbraw/zinc/51/40/59/1426514059.db2.gz TWTFSIFMAYIBKR-OAHLLOKOSA-N -1 1 385.359 3.187 20 5 GGBDMM O=[N+]([O-])c1cc(N2CCC(COc3ccccc3)CC2)ccc1-c1nnn[n-]1 ZINC000823634460 1426527858 /nfs/dbraw/zinc/52/78/58/1426527858.db2.gz GFUIJPNNYSONOO-UHFFFAOYSA-N -1 1 380.408 3.070 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1coc(-c2ccccc2)n1 ZINC000173350110 1426527935 /nfs/dbraw/zinc/52/79/35/1426527935.db2.gz OMIUFDOXIMOGGZ-UHFFFAOYSA-N -1 1 393.808 3.382 20 5 GGBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820557329 1426531336 /nfs/dbraw/zinc/53/13/36/1426531336.db2.gz YKUZVPJVHFZBFX-VIFPVBQESA-N -1 1 388.384 3.033 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000826497785 1426554922 /nfs/dbraw/zinc/55/49/22/1426554922.db2.gz USHUNOOUFWLLAQ-UHFFFAOYSA-N -1 1 386.224 3.193 20 5 GGBDMM CSc1ccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000821976685 1426616893 /nfs/dbraw/zinc/61/68/93/1426616893.db2.gz CNCJLICJGAQWMQ-SNVBAGLBSA-N -1 1 385.405 3.415 20 5 GGBDMM CC(C)NC(=O)c1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000820136887 1426635578 /nfs/dbraw/zinc/63/55/78/1426635578.db2.gz CYXHZOWYKLZFQY-LBPRGKRZSA-N -1 1 395.423 3.086 20 5 GGBDMM CC[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1c(C)noc1C ZINC000825146187 1426661256 /nfs/dbraw/zinc/66/12/56/1426661256.db2.gz ACTDSRQIEACQMR-CQSZACIVSA-N -1 1 394.395 3.491 20 5 GGBDMM CCOc1cccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000821430632 1426661677 /nfs/dbraw/zinc/66/16/77/1426661677.db2.gz ATWQYCYIJWCVHW-UHFFFAOYSA-N -1 1 391.391 3.334 20 5 GGBDMM O=[N+]([O-])c1cc(F)ccc1NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826498336 1426664087 /nfs/dbraw/zinc/66/40/87/1426664087.db2.gz QBYHPESUKJUXMY-UHFFFAOYSA-N -1 1 399.386 3.111 20 5 GGBDMM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000736634976 1426667827 /nfs/dbraw/zinc/66/78/27/1426667827.db2.gz OBKXMBQSEGFPMX-UHFFFAOYSA-N -1 1 388.771 3.079 20 5 GGBDMM O=[N+]([O-])c1ccc(N2CCC[C@H](c3nc4ccccc4o3)C2)cc1-c1nnn[n-]1 ZINC000826498773 1426697943 /nfs/dbraw/zinc/69/79/43/1426697943.db2.gz JEGPSKZIEXFYOL-LBPRGKRZSA-N -1 1 391.391 3.300 20 5 GGBDMM Cc1ccc(C)c([C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)[C@H](C)CO2)c1 ZINC000822231701 1426756417 /nfs/dbraw/zinc/75/64/17/1426756417.db2.gz DTQKQONCHMYEKN-KUHUBIRLSA-N -1 1 394.435 3.358 20 5 GGBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820571091 1426780416 /nfs/dbraw/zinc/78/04/16/1426780416.db2.gz VMXVBHJNACJFCE-AWEZNQCLSA-N -1 1 394.435 3.379 20 5 GGBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820571091 1426780420 /nfs/dbraw/zinc/78/04/20/1426780420.db2.gz VMXVBHJNACJFCE-AWEZNQCLSA-N -1 1 394.435 3.379 20 5 GGBDMM O=[N+]([O-])c1ccc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c(Cl)c1 ZINC000826498137 1426781664 /nfs/dbraw/zinc/78/16/64/1426781664.db2.gz INACRJYWTUHZOW-UHFFFAOYSA-N -1 1 381.783 3.340 20 5 GGBDMM CC(C)C[C@H](C)OCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824229667 1426787640 /nfs/dbraw/zinc/78/76/40/1426787640.db2.gz UKIZRNGMZHUYEI-JTQLQIEISA-N -1 1 396.835 3.208 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCOc1cccc2cccnc21 ZINC000738357662 1426791474 /nfs/dbraw/zinc/79/14/74/1426791474.db2.gz IEIPKRCNZBWENQ-UHFFFAOYSA-N -1 1 391.391 3.204 20 5 GGBDMM Cn1cnc([N+](=O)[O-])c1Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737619475 1426864502 /nfs/dbraw/zinc/86/45/02/1426864502.db2.gz SRASKZFLTMBUSY-UHFFFAOYSA-N -1 1 378.352 3.044 20 5 GGBDMM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000822505658 1426882775 /nfs/dbraw/zinc/88/27/75/1426882775.db2.gz QJJKLBRJGPPZQX-UHFFFAOYSA-N -1 1 396.798 3.044 20 5 GGBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc(C2CCCCC2)no1 ZINC000174065557 1426983374 /nfs/dbraw/zinc/98/33/74/1426983374.db2.gz WJNKTHSMXUOQBL-LLVKDONJSA-N -1 1 380.426 3.065 20 5 GGBDMM CCc1c(C)sc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000821465446 1426985224 /nfs/dbraw/zinc/98/52/24/1426985224.db2.gz HMYLCGVDEYSYLK-UHFFFAOYSA-N -1 1 386.437 3.279 20 5 GGBDMM O=[N+]([O-])c1ccc(N2CCC(OCC3CCCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823639663 1427077031 /nfs/dbraw/zinc/07/70/31/1427077031.db2.gz FIVKSIMAVFXJLC-UHFFFAOYSA-N -1 1 386.456 3.341 20 5 GGBDMM C[C@@H](CCc1cccn1C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820253294 1427150608 /nfs/dbraw/zinc/15/06/08/1427150608.db2.gz HSTZATWWDYMUQA-LBPRGKRZSA-N -1 1 392.423 3.095 20 5 GGBDMM O=[N+]([O-])c1ccc(F)c(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000823639544 1427167050 /nfs/dbraw/zinc/16/70/50/1427167050.db2.gz CZINUFLYSFGVAZ-UHFFFAOYSA-N -1 1 380.286 3.128 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1CCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826497335 1427225883 /nfs/dbraw/zinc/22/58/83/1427225883.db2.gz CZDDWBZJUDMGGF-UHFFFAOYSA-N -1 1 380.195 3.131 20 5 GGBDMM CN(CCc1ccc(F)cc1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821604903 1427286221 /nfs/dbraw/zinc/28/62/21/1427286221.db2.gz MKLGMTLYIYEFRR-UHFFFAOYSA-N -1 1 393.382 3.141 20 5 GGBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)ccc1F ZINC000174651493 1427289009 /nfs/dbraw/zinc/28/90/09/1427289009.db2.gz PKYGZIPUBZSSTD-UHFFFAOYSA-N -1 1 393.165 3.436 20 5 GGBDMM CN(C)c1cccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000736780948 1427436404 /nfs/dbraw/zinc/43/64/04/1427436404.db2.gz SGISNXKGBUWQFZ-MRXNPFEDSA-N -1 1 379.424 3.182 20 5 GGBDMM O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826455247 1427465794 /nfs/dbraw/zinc/46/57/94/1427465794.db2.gz GDDDQJIASXLXPU-UHFFFAOYSA-N -1 1 391.391 3.096 20 5 GGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(NC(=O)C2CC2)cc1 ZINC000174995573 1427486275 /nfs/dbraw/zinc/48/62/75/1427486275.db2.gz BEVNIUAHFPVMSH-UHFFFAOYSA-N -1 1 389.433 3.361 20 5 GGBDMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1 ZINC000175002967 1427490854 /nfs/dbraw/zinc/49/08/54/1427490854.db2.gz OBVWEBYBJMGOQL-UHFFFAOYSA-N -1 1 377.422 3.361 20 5 GGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1C ZINC000175022030 1427504317 /nfs/dbraw/zinc/50/43/17/1427504317.db2.gz MQKTVFQTLSHWOV-VWLOTQADSA-N -1 1 396.490 3.199 20 5 GGBDMM O=[N+]([O-])c1cnc(Nc2ccc3nc(C4CC4)sc3c2)c(-c2nnn[n-]2)c1 ZINC000738374581 1427727106 /nfs/dbraw/zinc/72/71/06/1427727106.db2.gz QQVUPAGTMFTYKA-UHFFFAOYSA-N -1 1 380.393 3.401 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCc4ccccc4C3)cc(-c3nnn[n-]3)c2c1 ZINC000738366709 1427732628 /nfs/dbraw/zinc/73/26/28/1427732628.db2.gz IAVCJLFLVHJORZ-CQSZACIVSA-N -1 1 387.403 3.293 20 5 GGBDMM COc1ccc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826204019 1427742267 /nfs/dbraw/zinc/74/22/67/1427742267.db2.gz SQXGFSQLHXMILW-UHFFFAOYSA-N -1 1 384.396 3.183 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H](O)c1ccc2ccccc2c1 ZINC000738358420 1427791198 /nfs/dbraw/zinc/79/11/98/1427791198.db2.gz MBTCFFYTWGZFEI-SFHVURJKSA-N -1 1 376.376 3.074 20 5 GGBDMM CC(C)Oc1ccc(CC[C@@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820252506 1428025547 /nfs/dbraw/zinc/02/55/47/1428025547.db2.gz BDKHBYRQPWHRLC-CYBMUJFWSA-N -1 1 397.439 3.390 20 5 GGBDMM Cc1ccc([C@H](C)OC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822230831 1428079060 /nfs/dbraw/zinc/07/90/60/1428079060.db2.gz RMMAURBJNIUEIC-QWHCGFSZSA-N -1 1 397.391 3.155 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1Oc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823634159 1428095638 /nfs/dbraw/zinc/09/56/38/1428095638.db2.gz BIYFNDNFSILHFL-UHFFFAOYSA-N -1 1 397.576 3.378 20 5 GGBDMM CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505385 1428105553 /nfs/dbraw/zinc/10/55/53/1428105553.db2.gz HRRAMUBPXGEQRF-NSHDSACASA-N -1 1 384.371 3.137 20 5 GGBDMM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000826408806 1428111623 /nfs/dbraw/zinc/11/16/23/1428111623.db2.gz VXOWDXQKXIAEMV-UHFFFAOYSA-N -1 1 399.432 3.043 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1CCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000826497348 1428118699 /nfs/dbraw/zinc/11/86/99/1428118699.db2.gz DNTXBAFOOUPVOL-UHFFFAOYSA-N -1 1 380.195 3.131 20 5 GGBDMM O=[N+]([O-])c1cc(F)c(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(F)c1 ZINC000826498087 1428155271 /nfs/dbraw/zinc/15/52/71/1428155271.db2.gz HKUMVEKZNOCFTE-UHFFFAOYSA-N -1 1 384.346 3.347 20 5 GGBDMM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000820481518 1428199070 /nfs/dbraw/zinc/19/90/70/1428199070.db2.gz WXRGAASERRXSQI-GFCCVEGCSA-N -1 1 397.391 3.237 20 5 GGBDMM CC(C)(C)OC(=O)CCCCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000819927955 1428205459 /nfs/dbraw/zinc/20/54/59/1428205459.db2.gz CSEJDCQIMAKCRH-UHFFFAOYSA-N -1 1 376.417 3.089 20 5 GGBDMM Cc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1 ZINC000822176156 1429784987 /nfs/dbraw/zinc/78/49/87/1429784987.db2.gz GXVXIJWCLNHOLQ-UHFFFAOYSA-N -1 1 382.380 3.123 20 5 GGBDMM Cc1c(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000826235826 1429848098 /nfs/dbraw/zinc/84/80/98/1429848098.db2.gz RZPWTBMCZOSJIT-UHFFFAOYSA-N -1 1 394.435 3.063 20 5 GGBDMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000180404097 1429858659 /nfs/dbraw/zinc/85/86/59/1429858659.db2.gz ZWMFONFOCPBKCR-UHFFFAOYSA-N -1 1 395.337 3.282 20 5 GGBDMM C[C@]1(CCc2ccccc2)CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820612777 1429859267 /nfs/dbraw/zinc/85/92/67/1429859267.db2.gz JDULKRIDXBIACN-IBGZPJMESA-N -1 1 379.424 3.019 20 5 GGBDMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000180560069 1429897901 /nfs/dbraw/zinc/89/79/01/1429897901.db2.gz OQQICSNCTSBLRZ-LLVKDONJSA-N -1 1 396.325 3.041 20 5 GGBDMM CN(Cc1cccc(-c2nnn[n-]2)c1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000825976164 1429926173 /nfs/dbraw/zinc/92/61/73/1429926173.db2.gz FSEFRBYXFPBCLM-UHFFFAOYSA-N -1 1 390.350 3.008 20 5 GGBDMM CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821983326 1429926875 /nfs/dbraw/zinc/92/68/75/1429926875.db2.gz GJZZCZWTRHUHQF-JTQLQIEISA-N -1 1 385.405 3.415 20 5 GGBDMM CC[C@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820921138 1429943999 /nfs/dbraw/zinc/94/39/99/1429943999.db2.gz WIXZVWZETRFSLL-KRWDZBQOSA-N -1 1 395.423 3.068 20 5 GGBDMM CC[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1cccc([N+](=O)[O-])c1 ZINC000820919491 1429954783 /nfs/dbraw/zinc/95/47/83/1429954783.db2.gz DEJVHAYXOYSSIZ-OAHLLOKOSA-N -1 1 381.396 3.356 20 5 GGBDMM O=[N+]([O-])c1cccc(CN(c2snc(Cl)c2-c2nnn[n-]2)C2CC2)c1 ZINC000823648038 1430055123 /nfs/dbraw/zinc/05/51/23/1430055123.db2.gz SDTSIZOSXYYLSP-UHFFFAOYSA-N -1 1 377.817 3.054 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCCOC3CCCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823643848 1430137694 /nfs/dbraw/zinc/13/76/94/1430137694.db2.gz CSUWXSUTQVCMCI-UHFFFAOYSA-N -1 1 383.412 3.084 20 5 GGBDMM CN(Cc1ccc(F)cc1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736819428 1430182701 /nfs/dbraw/zinc/18/27/01/1430182701.db2.gz LPEZZFYTRTZJSK-UHFFFAOYSA-N -1 1 379.355 3.099 20 5 GGBDMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000182501394 1430479039 /nfs/dbraw/zinc/47/90/39/1430479039.db2.gz UVTAFHIZRFVWFC-UHFFFAOYSA-N -1 1 387.417 3.108 20 5 GGBDMM Cc1ccccc1CCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000182572448 1430495285 /nfs/dbraw/zinc/49/52/85/1430495285.db2.gz ZSQYTMMLCUZJBW-UHFFFAOYSA-N -1 1 386.433 3.212 20 5 GGBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ccc2[nH]c(C(F)F)nc2c1 ZINC000183386455 1430697626 /nfs/dbraw/zinc/69/76/26/1430697626.db2.gz ZFHBDZVKHGBXGE-UHFFFAOYSA-N -1 1 382.348 3.351 20 5 GGBDMM CC(C)COC[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000184383829 1430881257 /nfs/dbraw/zinc/88/12/57/1430881257.db2.gz UZYZCMSONLBDPO-OAHLLOKOSA-N -1 1 382.438 3.021 20 5 GGBDMM C/C=C/C[C@H](CO)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000184807059 1430983691 /nfs/dbraw/zinc/98/36/91/1430983691.db2.gz USQRBNDIEPDDIN-XYBNCVKDSA-N -1 1 391.449 3.135 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000185888337 1431264098 /nfs/dbraw/zinc/26/40/98/1431264098.db2.gz UDPDXALADYQHPJ-UHFFFAOYSA-N -1 1 377.784 3.032 20 5 GGBDMM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000185975011 1431302736 /nfs/dbraw/zinc/30/27/36/1431302736.db2.gz WHWVHHUKZDOJFS-SFHVURJKSA-N -1 1 388.401 3.264 20 5 GGBDMM Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187009058 1431588437 /nfs/dbraw/zinc/58/84/37/1431588437.db2.gz BIEVIWWLOMVVIY-UHFFFAOYSA-N -1 1 395.419 3.079 20 5 GGBDMM O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000188004301 1431835552 /nfs/dbraw/zinc/83/55/52/1431835552.db2.gz YRDMKQQLGNTZDP-UHFFFAOYSA-N -1 1 389.795 3.084 20 5 GGBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000191566902 1432684662 /nfs/dbraw/zinc/68/46/62/1432684662.db2.gz DYRMXHMJCJZYKI-UHFFFAOYSA-N -1 1 389.433 3.287 20 5 GGBDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC000191787084 1432724932 /nfs/dbraw/zinc/72/49/32/1432724932.db2.gz UQYVZZJMMLBYLQ-UHFFFAOYSA-N -1 1 377.422 3.279 20 5 GGBDMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000191789031 1432725519 /nfs/dbraw/zinc/72/55/19/1432725519.db2.gz DKAZRVNPKMFOJR-UHFFFAOYSA-N -1 1 377.422 3.361 20 5 GGBDMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)cc2)n[nH]1 ZINC000191794389 1432726729 /nfs/dbraw/zinc/72/67/29/1432726729.db2.gz REIPEQSKZHMMMP-UHFFFAOYSA-N -1 1 387.421 3.106 20 5 GGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)cc1[N+](=O)[O-] ZINC000191796907 1432727198 /nfs/dbraw/zinc/72/71/98/1432727198.db2.gz KZJSSAJFRHFWOK-RUZDIDTESA-N -1 1 396.490 3.199 20 5 GGBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000193203597 1432957412 /nfs/dbraw/zinc/95/74/12/1432957412.db2.gz QRZQVXUHSDFCDY-UHFFFAOYSA-N -1 1 380.275 3.433 20 5 GGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 ZINC000193464008 1433003468 /nfs/dbraw/zinc/00/34/68/1433003468.db2.gz NEJGYERRGJXLLY-VIFPVBQESA-N -1 1 385.298 3.128 20 5 GGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 ZINC000193464020 1433003513 /nfs/dbraw/zinc/00/35/13/1433003513.db2.gz NEJGYERRGJXLLY-SECBINFHSA-N -1 1 385.298 3.128 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000193573301 1433021872 /nfs/dbraw/zinc/02/18/72/1433021872.db2.gz JJRZFXVMJVPXNI-UHFFFAOYSA-N -1 1 384.367 3.336 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000193593368 1433025342 /nfs/dbraw/zinc/02/53/42/1433025342.db2.gz DENXGSXKHZNBIZ-UHFFFAOYSA-N -1 1 375.812 3.444 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000193707873 1433044272 /nfs/dbraw/zinc/04/42/72/1433044272.db2.gz HPFAWRXOPDMMHO-NSHDSACASA-N -1 1 398.202 3.296 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000193734467 1433049264 /nfs/dbraw/zinc/04/92/64/1433049264.db2.gz STJOSGVPZAAPHV-NSHDSACASA-N -1 1 388.449 3.051 20 5 GGBDMM O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193895175 1433079677 /nfs/dbraw/zinc/07/96/77/1433079677.db2.gz NMTNPJLTMUDKQR-NSHDSACASA-N -1 1 377.225 3.007 20 5 GGBDMM CCCN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)c1cccc([N+](=O)[O-])c1 ZINC000194135408 1433123608 /nfs/dbraw/zinc/12/36/08/1433123608.db2.gz INLAWAYAISWFJA-UHFFFAOYSA-N -1 1 390.465 3.084 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCn1ccc2ccccc21 ZINC000194334744 1433163186 /nfs/dbraw/zinc/16/31/86/1433163186.db2.gz VQVXATCDWUUAAN-UHFFFAOYSA-N -1 1 377.397 3.057 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCSc2ccc(F)cc21 ZINC000194337484 1433163616 /nfs/dbraw/zinc/16/36/16/1433163616.db2.gz JTLLDNVLXDZGIK-GFCCVEGCSA-N -1 1 386.401 3.388 20 5 GGBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000194341177 1433164113 /nfs/dbraw/zinc/16/41/13/1433164113.db2.gz JHUMDZZMTMTLNY-SECBINFHSA-N -1 1 390.339 3.375 20 5 GGBDMM COc1ccc2ccccc2c1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194341282 1433164177 /nfs/dbraw/zinc/16/41/77/1433164177.db2.gz YEYCRYCHEVIWJR-UHFFFAOYSA-N -1 1 390.392 3.374 20 5 GGBDMM O=[N+]([O-])c1cnc(NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)s1 ZINC000195512719 1433337918 /nfs/dbraw/zinc/33/79/18/1433337918.db2.gz UTMJHDDGTIMTGA-UHFFFAOYSA-N -1 1 390.446 3.464 20 5 GGBDMM COc1cc(CN2CCC[C@H](CCC(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000263026265 1433978691 /nfs/dbraw/zinc/97/86/91/1433978691.db2.gz AQPAJUNXYKAASG-LLVKDONJSA-N -1 1 388.367 3.282 20 5 GGBDMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000272421472 1434895287 /nfs/dbraw/zinc/89/52/87/1434895287.db2.gz QHMFSQWWVGTNDV-UHFFFAOYSA-N -1 1 393.403 3.105 20 5 GGBDMM CCN(CC)C(=O)c1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000272794299 1434931482 /nfs/dbraw/zinc/93/14/82/1434931482.db2.gz CSWXDAZDJIRSMP-UHFFFAOYSA-N -1 1 397.478 3.285 20 5 GGBDMM CN(Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736828464 1441427916 /nfs/dbraw/zinc/42/79/16/1441427916.db2.gz KWNVPOGOKDKANX-UHFFFAOYSA-N -1 1 378.314 3.430 20 5 GGBDMM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000735662203 1441461143 /nfs/dbraw/zinc/46/11/43/1441461143.db2.gz SNSNOMHJZDXZRV-UHFFFAOYSA-N -1 1 395.379 3.330 20 5 GGBDMM CCOc1ccc([C@H](C)NCc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000825632399 1441503388 /nfs/dbraw/zinc/50/33/88/1441503388.db2.gz QKXWYDGTXVBFIH-NSHDSACASA-N -1 1 386.387 3.164 20 5 GGBDMM Cc1cc(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)ccc1[N+](=O)[O-] ZINC000826269264 1441519272 /nfs/dbraw/zinc/51/92/72/1441519272.db2.gz GODGEUCZTOPJFE-KRWDZBQOSA-N -1 1 396.407 3.125 20 5 GGBDMM CC[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820914004 1441525776 /nfs/dbraw/zinc/52/57/76/1441525776.db2.gz MEBQYBRPZFEIGD-MRXNPFEDSA-N -1 1 398.448 3.135 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)c(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000823639968 1441530222 /nfs/dbraw/zinc/53/02/22/1441530222.db2.gz NSZDLAGRMPIMFS-UHFFFAOYSA-N -1 1 399.754 3.057 20 5 GGBDMM C[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3CCC[C@H](C)C3)c2)C1 ZINC000736278687 1441558133 /nfs/dbraw/zinc/55/81/33/1441558133.db2.gz UKIIQUGTFNGHLX-KGLIPLIRSA-N -1 1 385.472 3.248 20 5 GGBDMM CC(C)(C)n1ncc2c1CCC[C@@H]2Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000819975791 1441629024 /nfs/dbraw/zinc/62/90/24/1441629024.db2.gz CVRZXBQIKIWYOS-ZDUSSCGKSA-N -1 1 382.428 3.216 20 5 GGBDMM CCSCC[C@@H](C)N(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821453432 1441685369 /nfs/dbraw/zinc/68/53/69/1441685369.db2.gz AFYJIZSQZJRGBJ-LLVKDONJSA-N -1 1 387.469 3.291 20 5 GGBDMM O=[N+]([O-])c1cccc2ccc(C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)nc21 ZINC000738368689 1441705615 /nfs/dbraw/zinc/70/56/15/1441705615.db2.gz IQQRFMCYWINMOU-FPLPWBNLSA-N -1 1 384.359 3.141 20 5 GGBDMM O=[N+]([O-])c1cccnc1Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738368648 1441751075 /nfs/dbraw/zinc/75/10/75/1441751075.db2.gz HBPMCKNVFCGCSO-UHFFFAOYSA-N -1 1 389.375 3.493 20 5 GGBDMM Cc1noc(C)c1[C@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822520058 1441805570 /nfs/dbraw/zinc/80/55/70/1441805570.db2.gz QSRISPBQXUXNSG-QMMMGPOBSA-N -1 1 380.368 3.101 20 5 GGBDMM O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(-c2nnn[n-]2)nc1 ZINC000738243910 1441811704 /nfs/dbraw/zinc/81/17/04/1441811704.db2.gz CZTACUQVLIOKBK-UHFFFAOYSA-N -1 1 382.383 3.320 20 5 GGBDMM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737966998 1441833005 /nfs/dbraw/zinc/83/30/05/1441833005.db2.gz PYDGONAVJGBJEN-UHFFFAOYSA-N -1 1 393.190 3.263 20 5 GGBDMM CC(C)(C)n1ncc2c1CCC[C@@H]2Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000819975769 1441876553 /nfs/dbraw/zinc/87/65/53/1441876553.db2.gz BYCKVGWRHHAWIJ-AWEZNQCLSA-N -1 1 382.428 3.216 20 5 GGBDMM CS[C@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821951301 1441927124 /nfs/dbraw/zinc/92/71/24/1441927124.db2.gz WBSPOKWBVQZGOZ-PWSUYJOCSA-N -1 1 385.453 3.409 20 5 GGBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825673817 1442051850 /nfs/dbraw/zinc/05/18/50/1442051850.db2.gz CXXQGRQFPFPOLU-NSHDSACASA-N -1 1 398.448 3.378 20 5 GGBDMM CS[C@@H]1CCCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821956309 1442175662 /nfs/dbraw/zinc/17/56/62/1442175662.db2.gz LWQJFEJUDUIRDA-GFCCVEGCSA-N -1 1 385.453 3.045 20 5 GGBDMM CCO[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C12CCC2 ZINC000821358025 1442299398 /nfs/dbraw/zinc/29/93/98/1442299398.db2.gz GUHIZDIGUIUMTC-HOTGVXAUSA-N -1 1 395.423 3.083 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]3C3CCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000826499771 1442396511 /nfs/dbraw/zinc/39/65/11/1442396511.db2.gz WXTSCQPJXXIYHN-QGZVFWFLSA-N -1 1 379.424 3.482 20 5 GGBDMM O=C(CCc1ccccc1F)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826409429 1442448343 /nfs/dbraw/zinc/44/83/43/1442448343.db2.gz YNSYNZVCSJDOJT-UHFFFAOYSA-N -1 1 390.762 3.139 20 5 GGBDMM Cc1c(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cccc1-c1nnn[n-]1 ZINC000822102620 1442454879 /nfs/dbraw/zinc/45/48/79/1442454879.db2.gz BYESHAKAWHDKFO-UHFFFAOYSA-N -1 1 387.787 3.058 20 5 GGBDMM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823123234 1442468190 /nfs/dbraw/zinc/46/81/90/1442468190.db2.gz UCVFDEKIIJLAOU-UHFFFAOYSA-N -1 1 397.782 3.022 20 5 GGBDMM CC[C@H](C)Oc1cc(C)ccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820875426 1442477275 /nfs/dbraw/zinc/47/72/75/1442477275.db2.gz AERPPHZOULEVSV-LBPRGKRZSA-N -1 1 383.412 3.268 20 5 GGBDMM Cc1c(Cl)cnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1-c1nnn[n-]1 ZINC000826236751 1443189463 /nfs/dbraw/zinc/18/94/63/1443189463.db2.gz BBJCSRXTPLWCQR-UHFFFAOYSA-N -1 1 385.815 3.301 20 5 GGBDMM Cc1c(NC(=O)[C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000737218983 1443229626 /nfs/dbraw/zinc/22/96/26/1443229626.db2.gz OBUNAIZMQDFYGS-LLVKDONJSA-N -1 1 384.421 3.203 20 5 GGBDMM O=[N+]([O-])c1cnc(Nc2ccc(COC3CCCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000738373881 1443270977 /nfs/dbraw/zinc/27/09/77/1443270977.db2.gz JIAHLRCXRQSZND-UHFFFAOYSA-N -1 1 381.396 3.373 20 5 GGBDMM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000826465173 1443298568 /nfs/dbraw/zinc/29/85/68/1443298568.db2.gz BEKFMJAXOSXRDH-UHFFFAOYSA-N -1 1 398.766 3.267 20 5 GGBDMM O=C1CCc2cc([N+](=O)[O-])c(Oc3cc(Cl)ccc3-c3nnn[n-]3)cc2N1 ZINC000823535871 1443305892 /nfs/dbraw/zinc/30/58/92/1443305892.db2.gz KSPDKTWIGKYYDA-UHFFFAOYSA-N -1 1 386.755 3.105 20 5 GGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735913780 1443345054 /nfs/dbraw/zinc/34/50/54/1443345054.db2.gz QUIKAFQHWBOVRN-UHFFFAOYSA-N -1 1 382.424 3.194 20 5 GGBDMM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Oc1ccc(-c2nnn[n-]2)cc1 ZINC000826421239 1443467124 /nfs/dbraw/zinc/46/71/24/1443467124.db2.gz YKVHJGSPUIWWHG-UHFFFAOYSA-N -1 1 391.796 3.126 20 5 GGBDMM C[C@H](Cc1ccsc1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820307887 1443475697 /nfs/dbraw/zinc/47/56/97/1443475697.db2.gz QRAJWXPHPDEAQB-SNVBAGLBSA-N -1 1 381.421 3.428 20 5 GGBDMM O=[N+]([O-])c1cnc(N2CC=C(c3ccc(Cl)cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000823646908 1443490571 /nfs/dbraw/zinc/49/05/71/1443490571.db2.gz COBMITVAXQXOPL-UHFFFAOYSA-N -1 1 383.799 3.117 20 5 GGBDMM CS[C@H]1CCCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821956310 1443548749 /nfs/dbraw/zinc/54/87/49/1443548749.db2.gz LWQJFEJUDUIRDA-LBPRGKRZSA-N -1 1 385.453 3.045 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N3CCc4cc(F)ccc4C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499555 1443567183 /nfs/dbraw/zinc/56/71/83/1443567183.db2.gz NHCUSGLEZOFOOB-UHFFFAOYSA-N -1 1 391.366 3.025 20 5 GGBDMM COCCCCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821687323 1443651640 /nfs/dbraw/zinc/65/16/40/1443651640.db2.gz YYRJJGWYPUDICJ-UHFFFAOYSA-N -1 1 382.424 3.208 20 5 GGBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820570267 1443709145 /nfs/dbraw/zinc/70/91/45/1443709145.db2.gz FTKCNVDWJLPWOI-AWEZNQCLSA-N -1 1 394.435 3.379 20 5 GGBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820570267 1443709146 /nfs/dbraw/zinc/70/91/46/1443709146.db2.gz FTKCNVDWJLPWOI-AWEZNQCLSA-N -1 1 394.435 3.379 20 5 GGBDMM CC(C)Cn1ncc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1C(F)F ZINC000824284888 1443715554 /nfs/dbraw/zinc/71/55/54/1443715554.db2.gz QXFZECKQCXIVRB-UHFFFAOYSA-N -1 1 378.343 3.309 20 5 GGBDMM C[C@@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000736160954 1443721346 /nfs/dbraw/zinc/72/13/46/1443721346.db2.gz UHDJYESBKYCOBJ-SNVBAGLBSA-N -1 1 378.348 3.174 20 5 GGBDMM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000824505733 1443750122 /nfs/dbraw/zinc/75/01/22/1443750122.db2.gz HRVVGJQLNYALLH-VIFPVBQESA-N -1 1 387.787 3.311 20 5 GGBDMM O=[N+]([O-])c1ccc(Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)cn1 ZINC000738370930 1443768070 /nfs/dbraw/zinc/76/80/70/1443768070.db2.gz SQFLLKMEBXMYRI-UHFFFAOYSA-N -1 1 389.375 3.493 20 5 GGBDMM CC[C@@H]1CCN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3CC[C@H](CC)C3)c2)C1 ZINC000820989718 1443774525 /nfs/dbraw/zinc/77/45/25/1443774525.db2.gz ZIKYQAPQFVBZJV-KGLIPLIRSA-N -1 1 385.472 3.248 20 5 GGBDMM Cc1ccccc1[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000822352162 1443778511 /nfs/dbraw/zinc/77/85/11/1443778511.db2.gz VPLAUHHMOIITCS-FZKQIMNGSA-N -1 1 380.408 3.050 20 5 GGBDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000737804199 1443798419 /nfs/dbraw/zinc/79/84/19/1443798419.db2.gz ZQBXVBDRTYVBIL-VMPITWQZSA-N -1 1 385.767 3.185 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826293303 1443808280 /nfs/dbraw/zinc/80/82/80/1443808280.db2.gz KKZYXVYWXBRBLP-ZDUSSCGKSA-N -1 1 381.392 3.320 20 5 GGBDMM CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1c1ccc(Cl)cc1 ZINC000826029585 1443820544 /nfs/dbraw/zinc/82/05/44/1443820544.db2.gz UMILIOIGDGJIPR-IAGOWNOFSA-N -1 1 399.842 3.286 20 5 GGBDMM C[C@@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824753997 1443890342 /nfs/dbraw/zinc/89/03/42/1443890342.db2.gz HCAXVZYGPUONDI-LLVKDONJSA-N -1 1 384.421 3.035 20 5 GGBDMM C[C@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380503 1443939521 /nfs/dbraw/zinc/93/95/21/1443939521.db2.gz UYQLEYYQJRRPCH-VIFPVBQESA-N -1 1 387.787 3.311 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000823620013 1443974164 /nfs/dbraw/zinc/97/41/64/1443974164.db2.gz GHXUPSXYHIEYKT-ZYHUDNBSSA-N -1 1 391.313 3.157 20 5 GGBDMM O=C(CCc1ccc(F)cc1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826408327 1443981784 /nfs/dbraw/zinc/98/17/84/1443981784.db2.gz AZUSVSUKZILLDG-UHFFFAOYSA-N -1 1 390.762 3.139 20 5 GGBDMM Cc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1C ZINC000826286919 1444023087 /nfs/dbraw/zinc/02/30/87/1444023087.db2.gz VTJXOBYHFOVDSO-UHFFFAOYSA-N -1 1 386.799 3.226 20 5 GGBDMM C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824663455 1446103475 /nfs/dbraw/zinc/10/34/75/1446103475.db2.gz ZPBFLKCTBSYGEZ-MRVPVSSYSA-N -1 1 379.302 3.362 20 5 GGBDMM CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385231 1446115190 /nfs/dbraw/zinc/11/51/90/1446115190.db2.gz AFQUAZBKFHYRIM-UHFFFAOYSA-N -1 1 386.799 3.403 20 5 GGBDMM O=[N+]([O-])c1cccc([C@H](O)CSc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826499682 1446120714 /nfs/dbraw/zinc/12/07/14/1446120714.db2.gz SECFMNRIZBOKRR-CYBMUJFWSA-N -1 1 377.813 3.254 20 5 GGBDMM O=C(CCCc1cccs1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826407011 1446195159 /nfs/dbraw/zinc/19/51/59/1446195159.db2.gz WZRUVBIGRUQUMN-UHFFFAOYSA-N -1 1 392.828 3.451 20 5 GGBDMM Cc1ccc(C)c([C@H]2CN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])[C@@H](C)CO2)c1 ZINC000822232191 1446208211 /nfs/dbraw/zinc/20/82/11/1446208211.db2.gz WLWUUWPDVUWXRM-IFXJQAMLSA-N -1 1 394.435 3.358 20 5 GGBDMM COC[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000826152025 1446210052 /nfs/dbraw/zinc/21/00/52/1446210052.db2.gz ONQSYARAJXWXRC-QGZVFWFLSA-N -1 1 391.391 3.123 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1cccc(COCc2ccco2)c1 ZINC000823625109 1446250618 /nfs/dbraw/zinc/25/06/18/1446250618.db2.gz PEMSMTSGMIGYDM-UHFFFAOYSA-N -1 1 393.363 3.223 20 5 GGBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820554905 1446266496 /nfs/dbraw/zinc/26/64/96/1446266496.db2.gz BCEZUPMGCRBZLL-SECBINFHSA-N -1 1 389.368 3.000 20 5 GGBDMM O=[N+]([O-])c1ccc(CCCCNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000738359017 1446341630 /nfs/dbraw/zinc/34/16/30/1446341630.db2.gz IIAQSMZPJHFQDK-UHFFFAOYSA-N -1 1 390.407 3.153 20 5 GGBDMM Cc1ccc([C@H](C)OC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822230370 1446363882 /nfs/dbraw/zinc/36/38/82/1446363882.db2.gz DTCHYLHWSFAHKM-LBPRGKRZSA-N -1 1 399.432 3.480 20 5 GGBDMM O=[N+]([O-])c1ccc(N(Cc2cccc(F)c2)C[C@@H]2CCCO2)c(-c2nnn[n-]2)c1 ZINC000826498244 1446406064 /nfs/dbraw/zinc/40/60/64/1446406064.db2.gz MQFFHDGCIQLDPM-INIZCTEOSA-N -1 1 398.398 3.100 20 5 GGBDMM O=C(C[C@H]1CCc2ccccc21)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826405072 1446406252 /nfs/dbraw/zinc/40/62/52/1446406252.db2.gz VBWGEYPMEBYCGW-LLVKDONJSA-N -1 1 398.810 3.487 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Sc1nnc(-c2ccccc2)s1 ZINC000738358951 1446410259 /nfs/dbraw/zinc/41/02/59/1446410259.db2.gz GEZBDWBXYGYDDU-UHFFFAOYSA-N -1 1 383.418 3.445 20 5 GGBDMM CC(=CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942286 1446436493 /nfs/dbraw/zinc/43/64/93/1446436493.db2.gz AOWBWKQTMWEKOW-RSKUSDAESA-N -1 1 378.392 3.056 20 5 GGBDMM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823319405 1446436594 /nfs/dbraw/zinc/43/65/94/1446436594.db2.gz UFHDNRHVKCIWIP-UHFFFAOYSA-N -1 1 379.163 3.334 20 5 GGBDMM CCNc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000821304476 1446450859 /nfs/dbraw/zinc/45/08/59/1446450859.db2.gz GYWAVLQMRBNWPR-UHFFFAOYSA-N -1 1 387.787 3.112 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000823620945 1446459724 /nfs/dbraw/zinc/45/97/24/1446459724.db2.gz UFXUSFIRBXZSBS-HXUWFJFHSA-N -1 1 391.435 3.044 20 5 GGBDMM Cc1ccccc1CN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737427389 1446460684 /nfs/dbraw/zinc/46/06/84/1446460684.db2.gz DXAGBIUOPGMQNB-UHFFFAOYSA-N -1 1 375.392 3.268 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)cc1OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823640028 1446476263 /nfs/dbraw/zinc/47/62/63/1446476263.db2.gz PSWICRWTPNZZJH-UHFFFAOYSA-N -1 1 375.772 3.276 20 5 GGBDMM CC(C)c1nc([C@@H]2CCCCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])no1 ZINC000824358235 1446600574 /nfs/dbraw/zinc/60/05/74/1446600574.db2.gz CYAOKRWLELCLDZ-AWEZNQCLSA-N -1 1 398.427 3.403 20 5 GGBDMM CC(C)(C)OC(=O)Nc1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000819946852 1446601994 /nfs/dbraw/zinc/60/19/94/1446601994.db2.gz UDYMIIAZMASAGL-UHFFFAOYSA-N -1 1 399.367 3.309 20 5 GGBDMM O=[N+]([O-])c1cccc2nc(C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)ccc21 ZINC000738370589 1446638919 /nfs/dbraw/zinc/63/89/19/1446638919.db2.gz WCBRQQRYWAZGTO-FNORWQNLSA-N -1 1 384.359 3.141 20 5 GGBDMM CC(C)(C)OC(=O)c1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000819947020 1446652537 /nfs/dbraw/zinc/65/25/37/1446652537.db2.gz ZXVTUFMYBPOVMP-UHFFFAOYSA-N -1 1 396.407 3.342 20 5 GGBDMM O=[N+]([O-])c1ccccc1-c1ccc(CNCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738369323 1446680468 /nfs/dbraw/zinc/68/04/68/1446680468.db2.gz KVNIYJXLZICJJA-UHFFFAOYSA-N -1 1 376.376 3.325 20 5 GGBDMM O=[N+]([O-])c1ccccc1-c1ccc(CNCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000738369323 1446680470 /nfs/dbraw/zinc/68/04/70/1446680470.db2.gz KVNIYJXLZICJJA-UHFFFAOYSA-N -1 1 376.376 3.325 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@H]1CCCc2ccccc21 ZINC000826450870 1446685556 /nfs/dbraw/zinc/68/55/56/1446685556.db2.gz HHRRIGLSYYRALN-ZDUSSCGKSA-N -1 1 398.810 3.487 20 5 GGBDMM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813389974 1446717388 /nfs/dbraw/zinc/71/73/88/1446717388.db2.gz QYMLTWMEIRPLOJ-UHFFFAOYSA-N -1 1 379.163 3.334 20 5 GGBDMM O=[N+]([O-])c1ccccc1-c1ccc(CNCc2cccc(-c3nn[n-]n3)c2)o1 ZINC000738370638 1446717470 /nfs/dbraw/zinc/71/74/70/1446717470.db2.gz XJUCSTTWAIDGMI-UHFFFAOYSA-N -1 1 376.376 3.325 20 5 GGBDMM O=[N+]([O-])c1ccccc1-c1ccc(CNCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000738370638 1446717474 /nfs/dbraw/zinc/71/74/74/1446717474.db2.gz XJUCSTTWAIDGMI-UHFFFAOYSA-N -1 1 376.376 3.325 20 5 GGBDMM O=[N+]([O-])c1cnc(Oc2ccc(Br)cc2-c2nn[n-]n2)c(Cl)c1 ZINC000823651970 1446733285 /nfs/dbraw/zinc/73/32/85/1446733285.db2.gz UIKLARKNJSAUNU-UHFFFAOYSA-N -1 1 397.576 3.378 20 5 GGBDMM CN1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000826029946 1446738571 /nfs/dbraw/zinc/73/85/71/1446738571.db2.gz YJPZYXMDCZDQIZ-WBVHZDCISA-N -1 1 399.842 3.286 20 5 GGBDMM Cc1c(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cccc1[N+](=O)[O-] ZINC000826236216 1446753388 /nfs/dbraw/zinc/75/33/88/1446753388.db2.gz CRMBESDJWUJLQY-UHFFFAOYSA-N -1 1 394.370 3.020 20 5 GGBDMM CCc1ccc(OC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000736688343 1446781872 /nfs/dbraw/zinc/78/18/72/1446781872.db2.gz CXYPGZUOYIQITK-UHFFFAOYSA-N -1 1 399.432 3.176 20 5 GGBDMM O=[N+]([O-])c1ccc(NCc2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000823639484 1446823891 /nfs/dbraw/zinc/82/38/91/1446823891.db2.gz BCJBSYNPBHMEFE-UHFFFAOYSA-N -1 1 375.186 3.150 20 5 GGBDMM COc1cc(-c2nnn[n-]2)ccc1OCCSCc1ccc([N+](=O)[O-])cc1 ZINC000826176126 1446857447 /nfs/dbraw/zinc/85/74/47/1446857447.db2.gz BYQWDXWYOWMGSR-UHFFFAOYSA-N -1 1 387.421 3.096 20 5 GGBDMM CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821983327 1446878182 /nfs/dbraw/zinc/87/81/82/1446878182.db2.gz GJZZCZWTRHUHQF-SNVBAGLBSA-N -1 1 385.405 3.415 20 5 GGBDMM C[C@H]1CCCN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3CCC[C@H](C)C3)c2)C1 ZINC000736278686 1446903884 /nfs/dbraw/zinc/90/38/84/1446903884.db2.gz UKIIQUGTFNGHLX-KBPBESRZSA-N -1 1 385.472 3.248 20 5 GGBDMM Cc1cc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1Br ZINC000822211913 1446907271 /nfs/dbraw/zinc/90/72/71/1446907271.db2.gz SZEQJOYIGKHYGT-UHFFFAOYSA-N -1 1 377.158 3.033 20 5 GGBDMM O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccc3ccccc3c2)c(-c2nnn[n-]2)c1 ZINC000738368186 1446913893 /nfs/dbraw/zinc/91/38/93/1446913893.db2.gz AKNSWAQRTLNVBA-GOSISDBHSA-N -1 1 376.376 3.074 20 5 GGBDMM O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000738369761 1446924023 /nfs/dbraw/zinc/92/40/23/1446924023.db2.gz NXOLMNGWIZPTPR-UHFFFAOYSA-N -1 1 375.801 3.237 20 5 GGBDMM C[C@H]1CC[C@]2(CCN(c3cc(-c4nnn[n-]4)c4cc([N+](=O)[O-])ccc4n3)C2)C1 ZINC000824916057 1446940348 /nfs/dbraw/zinc/94/03/48/1446940348.db2.gz JGHHNYSSMIVICD-BUXKBTBVSA-N -1 1 379.424 3.340 20 5 GGBDMM O=[N+]([O-])c1ccc(N2CCC(OCc3ccc(F)cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000826499190 1446944008 /nfs/dbraw/zinc/94/40/08/1446944008.db2.gz ZFSWCYZXZJHJEI-UHFFFAOYSA-N -1 1 398.398 3.100 20 5 GGBDMM Cc1cc(Br)cc([N+](=O)[O-])c1OCc1cccc(-c2nnn[n-]2)c1 ZINC000822160250 1446970109 /nfs/dbraw/zinc/97/01/09/1446970109.db2.gz FWLAYUYFRWJAGU-UHFFFAOYSA-N -1 1 390.197 3.425 20 5 GGBDMM COc1cc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1Br ZINC000821724421 1446986954 /nfs/dbraw/zinc/98/69/54/1446986954.db2.gz VAKAYCWXDUGBQO-UHFFFAOYSA-N -1 1 391.185 3.290 20 5 GGBDMM CC[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820920148 1447057604 /nfs/dbraw/zinc/05/76/04/1447057604.db2.gz LUPBADFBWDHYBH-SJKOYZFVSA-N -1 1 395.423 3.286 20 5 GGBDMM CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821153499 1447065252 /nfs/dbraw/zinc/06/52/52/1447065252.db2.gz DIGSTBAKLKPASD-CQSZACIVSA-N -1 1 394.435 3.317 20 5 GGBDMM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000821099439 1447108274 /nfs/dbraw/zinc/10/82/74/1447108274.db2.gz HXKADUVAIIZPFN-UHFFFAOYSA-N -1 1 394.435 3.146 20 5 GGBDMM CCS[C@@H]1CCCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821456549 1447138936 /nfs/dbraw/zinc/13/89/36/1447138936.db2.gz PWFCAEJIZHCXLG-CYBMUJFWSA-N -1 1 399.480 3.435 20 5 GGBDMM C[C@@]1(CCc2ccccc2)CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820612965 1447143937 /nfs/dbraw/zinc/14/39/37/1447143937.db2.gz OSCMMZDXOBWOAV-LJQANCHMSA-N -1 1 379.424 3.019 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H](O)c1c(Cl)cccc1Cl ZINC000738357584 1447269648 /nfs/dbraw/zinc/26/96/48/1447269648.db2.gz FSTBWOPLZLJUAY-ZDUSSCGKSA-N -1 1 395.206 3.227 20 5 GGBDMM CS[C@H]1CCC[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821951300 1447298191 /nfs/dbraw/zinc/29/81/91/1447298191.db2.gz WBSPOKWBVQZGOZ-JQWIXIFHSA-N -1 1 385.453 3.409 20 5 GGBDMM CC(C)c1nc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cs1 ZINC000824358624 1447336025 /nfs/dbraw/zinc/33/60/25/1447336025.db2.gz NUUZBBVBIVFGBY-UHFFFAOYSA-N -1 1 393.816 3.261 20 5 GGBDMM Cc1c(NCc2c(Br)cccc2[N+](=O)[O-])cccc1-c1nnn[n-]1 ZINC000826242335 1449044078 /nfs/dbraw/zinc/04/40/78/1449044078.db2.gz KRZRHPFGQVIQGA-UHFFFAOYSA-N -1 1 389.213 3.458 20 5 GGBDMM CN(Cc1cccc(Cl)c1Cl)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821613488 1449089560 /nfs/dbraw/zinc/08/95/60/1449089560.db2.gz PLXGIUWJYCHOEQ-UHFFFAOYSA-N -1 1 380.195 3.113 20 5 GGBDMM CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573333 1449231170 /nfs/dbraw/zinc/23/11/70/1449231170.db2.gz LNBVHIZGXXRBAF-UHFFFAOYSA-N -1 1 393.190 3.358 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000826497271 1449304284 /nfs/dbraw/zinc/30/42/84/1449304284.db2.gz AIOQYNWADCYIAT-CYBMUJFWSA-N -1 1 396.190 3.194 20 5 GGBDMM Cc1noc(C)c1[C@H](C)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826338745 1449309696 /nfs/dbraw/zinc/30/96/96/1449309696.db2.gz GVBNOZVURKFHIG-SECBINFHSA-N -1 1 394.395 3.144 20 5 GGBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCCOc1ccccc1-c1nnn[n-]1 ZINC000826497575 1449319602 /nfs/dbraw/zinc/31/96/02/1449319602.db2.gz MDPIQWUZJZTBBR-UHFFFAOYSA-N -1 1 395.297 3.252 20 5 GGBDMM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000823319010 1449418955 /nfs/dbraw/zinc/41/89/55/1449418955.db2.gz ONMOIGDLMPEJKB-UHFFFAOYSA-N -1 1 399.798 3.255 20 5 GGBDMM Cc1cccc2c1CCN(c1cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n1)C2 ZINC000822340968 1449420500 /nfs/dbraw/zinc/42/05/00/1449420500.db2.gz PANXBIZHLLXANG-UHFFFAOYSA-N -1 1 387.403 3.194 20 5 GGBDMM CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC000735920919 1449533860 /nfs/dbraw/zinc/53/38/60/1449533860.db2.gz AIGDSJZLEPLBEX-INIZCTEOSA-N -1 1 378.396 3.460 20 5 GGBDMM Cc1ccc(C)c([C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)[C@H](C)CO2)c1 ZINC000822231699 1449555610 /nfs/dbraw/zinc/55/56/10/1449555610.db2.gz DTQKQONCHMYEKN-AUUYWEPGSA-N -1 1 394.435 3.358 20 5 GGBDMM CCOc1ccc([C@@H](C)NCc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC000825631893 1449615572 /nfs/dbraw/zinc/61/55/72/1449615572.db2.gz IHNXUTYLSVPOEB-LLVKDONJSA-N -1 1 386.387 3.164 20 5 GGBDMM O=[N+]([O-])c1cccc(COc2ccc(Br)cc2-c2nnn[n-]2)c1 ZINC000823647507 1449725725 /nfs/dbraw/zinc/72/57/25/1449725725.db2.gz LAFGCYJEUJNAPI-UHFFFAOYSA-N -1 1 376.170 3.116 20 5 GGBDMM CN(Cc1ccc(F)c(-c2nnn[n-]2)c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000821610960 1449774513 /nfs/dbraw/zinc/77/45/13/1449774513.db2.gz LNZJWUGWKFOXDO-UHFFFAOYSA-N -1 1 376.779 3.199 20 5 GGBDMM CC(C)OC1CCC(Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000824309155 1449790315 /nfs/dbraw/zinc/79/03/15/1449790315.db2.gz GYUOJVNJQJKSOK-UHFFFAOYSA-N -1 1 397.439 3.471 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cccc(Oc2ccncc2)c1 ZINC000823629980 1449798026 /nfs/dbraw/zinc/79/80/26/1449798026.db2.gz OTIVFBODBRSJOJ-UHFFFAOYSA-N -1 1 376.336 3.101 20 5 GGBDMM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000822217466 1449858552 /nfs/dbraw/zinc/85/85/52/1449858552.db2.gz FNBKMJLHUAKSOP-LBPRGKRZSA-N -1 1 381.396 3.274 20 5 GGBDMM C[C@@]1(c2ccccc2)C[C@@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820634798 1449880090 /nfs/dbraw/zinc/88/00/90/1449880090.db2.gz KATHWKWWOUPCTC-PXNSSMCTSA-N -1 1 387.403 3.465 20 5 GGBDMM O=[N+]([O-])c1cnc(N2CC=C(c3ccccc3Cl)CC2)c(-c2nnn[n-]2)c1 ZINC000826500944 1449979023 /nfs/dbraw/zinc/97/90/23/1449979023.db2.gz SKCVKIPGTPTJFO-UHFFFAOYSA-N -1 1 383.799 3.117 20 5 GGBDMM O=[N+]([O-])c1cnc(Sc2ccc(-c3nn[n-]n3)cc2F)c(Br)c1 ZINC000823652319 1449987124 /nfs/dbraw/zinc/98/71/24/1449987124.db2.gz ZUGPHXYBNUSVQS-UHFFFAOYSA-N -1 1 397.189 3.223 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCCC[C@@H]3CCCC[C@H]3O)cc(-c3nnn[n-]3)c2c1 ZINC000823644698 1450069071 /nfs/dbraw/zinc/06/90/71/1450069071.db2.gz KPDFVXALTGAWTD-YVEFUNNKSA-N -1 1 397.439 3.066 20 5 GGBDMM CC(C)(C)n1ncc2c1CCC[C@H]2Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000819975770 1450086906 /nfs/dbraw/zinc/08/69/06/1450086906.db2.gz BYCKVGWRHHAWIJ-CQSZACIVSA-N -1 1 382.428 3.216 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccc(F)cc1Cl ZINC000826451062 1450155653 /nfs/dbraw/zinc/15/56/53/1450155653.db2.gz OCJHQIYHIYBJIZ-UHFFFAOYSA-N -1 1 397.153 3.473 20 5 GGBDMM C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824708086 1450156077 /nfs/dbraw/zinc/15/60/77/1450156077.db2.gz WZTHZJZNDVRWLH-GFCCVEGCSA-N -1 1 381.392 3.357 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1Oc1cccc(F)c1-c1nnn[n-]1 ZINC000823634672 1450160672 /nfs/dbraw/zinc/16/06/72/1450160672.db2.gz JQWVLHFOCBNESJ-UHFFFAOYSA-N -1 1 380.133 3.469 20 5 GGBDMM C[C@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(-c2nnn[n-]2)c1 ZINC000824712572 1450178266 /nfs/dbraw/zinc/17/82/66/1450178266.db2.gz BFXOZWQQCPSGTO-NSHDSACASA-N -1 1 392.375 3.103 20 5 GGBDMM CCOc1cc(CCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1OC ZINC000736624801 1450242666 /nfs/dbraw/zinc/24/26/66/1450242666.db2.gz IBIAOBXZSNVIAY-UHFFFAOYSA-N -1 1 398.423 3.227 20 5 GGBDMM Cc1cc(N(C)Cc2cccc(-c3nnn[n-]3)c2)c2cccc([N+](=O)[O-])c2n1 ZINC000826269591 1450279631 /nfs/dbraw/zinc/27/96/31/1450279631.db2.gz QEPUOCDQUZSSDI-UHFFFAOYSA-N -1 1 375.392 3.268 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cccc(N2CCCCCC2)c1 ZINC000823625423 1450325110 /nfs/dbraw/zinc/32/51/10/1450325110.db2.gz UVDOFWOGAAEMBX-UHFFFAOYSA-N -1 1 380.412 3.294 20 5 GGBDMM CC(=O)N(Cc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1)C(C)C ZINC000735460809 1450344003 /nfs/dbraw/zinc/34/40/03/1450344003.db2.gz MIYDZDHCMQZXOA-UHFFFAOYSA-N -1 1 395.423 3.275 20 5 GGBDMM O=[N+]([O-])c1ccc(N2CCC(COc3ccccc3)CC2)cc1-c1nnn[n-]1 ZINC000826497950 1450345348 /nfs/dbraw/zinc/34/53/48/1450345348.db2.gz AFDJOEQGTXQCKG-UHFFFAOYSA-N -1 1 380.408 3.070 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2nc(CNc3ccc(F)c(-c4nn[n-]n4)c3)co2)cc1 ZINC000826498416 1450384508 /nfs/dbraw/zinc/38/45/08/1450384508.db2.gz TYDOJRAUSICSCE-UHFFFAOYSA-N -1 1 381.327 3.181 20 5 GGBDMM C[C@@H](CCc1ccco1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000735992797 1450422995 /nfs/dbraw/zinc/42/29/95/1450422995.db2.gz NCBILYLQKZURJI-NSHDSACASA-N -1 1 379.380 3.349 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000823620723 1450522349 /nfs/dbraw/zinc/52/23/49/1450522349.db2.gz PDCHVMFCICDWBF-UHFFFAOYSA-N -1 1 392.206 3.039 20 5 GGBDMM Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000455642368 953514885 /nfs/dbraw/zinc/51/48/85/953514885.db2.gz LKGPYYOUDXVPQQ-LJQANCHMSA-N -1 1 385.420 3.380 20 5 GGBDMM COc1cc(CN[C@H](C(=O)[O-])c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F ZINC001594058654 958067245 /nfs/dbraw/zinc/06/72/45/958067245.db2.gz JHRIENYMYFDOLJ-KRWDZBQOSA-N -1 1 396.346 3.163 20 5 GGBDMM COc1ccc(OCCN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000518797725 974325067 /nfs/dbraw/zinc/32/50/67/974325067.db2.gz KFQAWNYNAHOAAC-IRXDYDNUSA-N -1 1 386.404 3.273 20 5 GGBDMM C[C@@H](CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1)C(=O)[O-] ZINC000572532964 974750105 /nfs/dbraw/zinc/75/01/05/974750105.db2.gz LOMRVICZDCPCEU-AWEZNQCLSA-N -1 1 396.403 3.368 20 5 GGBDMM CCC[C@@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000592977227 974978537 /nfs/dbraw/zinc/97/85/37/974978537.db2.gz UPXCIWAJGXHSRD-QGZVFWFLSA-N -1 1 384.436 3.179 20 5 GGBDMM CC(C)c1cc([C@H]2CCCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2)n[nH]1 ZINC001591931057 976431750 /nfs/dbraw/zinc/43/17/50/976431750.db2.gz GRZFYQSNRQWMPL-LBPRGKRZSA-N -1 1 386.408 3.159 20 5 GGBDMM C[C@](CC(=O)[O-])(NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccnc1 ZINC001592327818 977742624 /nfs/dbraw/zinc/74/26/24/977742624.db2.gz FIPJCHSZWZOQTO-MRXNPFEDSA-N -1 1 383.326 3.488 20 5 GGBDMM C[C@@H](CN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1)C(=O)[O-] ZINC001592604501 978543149 /nfs/dbraw/zinc/54/31/49/978543149.db2.gz DPQACMNJNVSYBO-AWEZNQCLSA-N -1 1 396.403 3.368 20 5 GGBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000783834461 978793763 /nfs/dbraw/zinc/79/37/63/978793763.db2.gz WNECIYCEYLVIDN-UHFFFAOYSA-N -1 1 384.797 3.364 20 5 GGBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000783845996 978794075 /nfs/dbraw/zinc/79/40/75/978794075.db2.gz JVCOPFAETGWMIA-UHFFFAOYSA-N -1 1 388.760 3.195 20 5 GGBDMM CC[C@@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1cc(F)ccc1OC ZINC001595300420 980434156 /nfs/dbraw/zinc/43/41/56/980434156.db2.gz PXQQQQQULQUEOE-OAHLLOKOSA-N -1 1 392.383 3.447 20 5 GGBDMM CC[C@H]1CN(C)c2ccccc2CN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001595482339 981206825 /nfs/dbraw/zinc/20/68/25/981206825.db2.gz HITIETYPVTXSDV-KRWDZBQOSA-N -1 1 399.447 3.289 20 5 GGBDMM CC[C@@H]1Oc2cc([C@@H](C)NCc3cc(C(=O)[O-])ccc3[N+](=O)[O-])ccc2NC1=O ZINC001595499642 981265788 /nfs/dbraw/zinc/26/57/88/981265788.db2.gz NQTCWYKHTHPFIY-DIFFPNOSSA-N -1 1 399.403 3.253 20 5 GGBDMM CC[C@@H](C)Oc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])c1 ZINC001595008874 982930234 /nfs/dbraw/zinc/93/02/34/982930234.db2.gz SFQOXEALBSXHOB-LLVKDONJSA-N -1 1 394.405 3.271 20 5 GGBDMM CC[C@H](C)Oc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])c1 ZINC001595008875 982930291 /nfs/dbraw/zinc/93/02/91/982930291.db2.gz SFQOXEALBSXHOB-NSHDSACASA-N -1 1 394.405 3.271 20 5 GGBDMM CCOc1cc(N2CCN(Cc3ccc(C(=O)[O-])c(C)c3)CC2)ccc1[N+](=O)[O-] ZINC001597042097 986490634 /nfs/dbraw/zinc/49/06/34/986490634.db2.gz JQZMSNFJDYXQBN-UHFFFAOYSA-N -1 1 399.447 3.322 20 5 GGBDMM CCSCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC001597265458 987297519 /nfs/dbraw/zinc/29/75/19/987297519.db2.gz XNSWXUMQAUGULC-UHFFFAOYSA-N -1 1 396.446 3.347 20 5 GGBDMM CCc1cccc2c1OCC[C@H]2NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001597603504 988467760 /nfs/dbraw/zinc/46/77/60/988467760.db2.gz GJSGFFWOFWLQDL-MRXNPFEDSA-N -1 1 386.404 3.234 20 5 GGBDMM C[C@](NC(=O)c1cccc(C(F)(F)F)c1O)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593175330 994044868 /nfs/dbraw/zinc/04/48/68/994044868.db2.gz LVQRFOOHMKYOSZ-MRXNPFEDSA-N -1 1 398.293 3.049 20 5 GGBDMM COc1cccc([C@@](C)(CC(=O)[O-])NCc2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC001599655877 994578553 /nfs/dbraw/zinc/57/85/53/994578553.db2.gz PTXIZNHRTQRBGM-LJQANCHMSA-N -1 1 392.383 3.231 20 5 GGBDMM C[C@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(N2CCCNC2=O)cc1 ZINC001593289359 994662661 /nfs/dbraw/zinc/66/26/61/994662661.db2.gz QZNVANLCRGTBAJ-ZDUSSCGKSA-N -1 1 398.419 3.064 20 5 GGBDMM C[C@](NCc1cccc(F)c1OC(F)F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593303409 994734512 /nfs/dbraw/zinc/73/45/12/994734512.db2.gz CMPIFIFJMABXRC-QGZVFWFLSA-N -1 1 384.310 3.425 20 5 GGBDMM C[C@](NCc1cnc(-c2ccccc2)nc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593310292 994770889 /nfs/dbraw/zinc/77/08/89/994770889.db2.gz HDWYXQPZAKOAMR-HXUWFJFHSA-N -1 1 378.388 3.141 20 5 GGBDMM C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593317313 994818126 /nfs/dbraw/zinc/81/81/26/994818126.db2.gz OZAIIRCIFBHGQQ-GUYCJALGSA-N -1 1 396.403 3.066 20 5 GGBDMM COc1ccc([C@H](C)NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1F ZINC001599509813 997277171 /nfs/dbraw/zinc/27/71/71/997277171.db2.gz PTTOXAPTODBOHY-NSHDSACASA-N -1 1 378.356 3.057 20 5 GGBDMM COc1ccc([C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C(=O)[O-])c(OC)c1 ZINC001599533212 997696325 /nfs/dbraw/zinc/69/63/25/997696325.db2.gz WSVXAEXERYRCAB-MRXNPFEDSA-N -1 1 380.784 3.181 20 5 GGBDMM CC(C)(C)OC(=O)NC1(C)CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001594058169 997819557 /nfs/dbraw/zinc/81/95/57/997819557.db2.gz ZQUBVDJUPHCWGF-UHFFFAOYSA-N -1 1 393.440 3.172 20 5 GGBDMM C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594297403 999147209 /nfs/dbraw/zinc/14/72/09/999147209.db2.gz WXJACUKWTNBMJM-OCCSQVGLSA-N -1 1 378.425 3.235 20 5 GGBDMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000014049073 210102450 /nfs/dbraw/zinc/10/24/50/210102450.db2.gz HSQINTGIMREQMB-ZDUSSCGKSA-N -1 1 391.449 3.232 20 5 GGBDMM CC(=O)OCCCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000097165048 211361057 /nfs/dbraw/zinc/36/10/57/211361057.db2.gz ANXGNRLWCPRNDB-UHFFFAOYSA-N -1 1 392.433 3.200 20 5 GGBDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000007362347 564236254 /nfs/dbraw/zinc/23/62/54/564236254.db2.gz XESYIAJVUOTJNE-UHFFFAOYSA-N -1 1 383.813 3.316 20 5 GGBDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000007362338 564236519 /nfs/dbraw/zinc/23/65/19/564236519.db2.gz MGTMFAWDRYINKJ-UHFFFAOYSA-N -1 1 383.813 3.316 20 5 GGBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c(Cl)c1 ZINC000119124589 564255898 /nfs/dbraw/zinc/25/58/98/564255898.db2.gz BBODXRZRRXIVNK-UHFFFAOYSA-N -1 1 389.842 3.377 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1coc(-c2cccs2)n1 ZINC000119524392 564274883 /nfs/dbraw/zinc/27/48/83/564274883.db2.gz JMAAOKDSRMNYEC-UHFFFAOYSA-N -1 1 399.837 3.443 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](CCCO)c1ccccc1 ZINC000121395972 564366687 /nfs/dbraw/zinc/36/66/87/564366687.db2.gz HYIMCBSPRCBDKQ-AWEZNQCLSA-N -1 1 384.841 3.040 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000055638333 564627354 /nfs/dbraw/zinc/62/73/54/564627354.db2.gz YLCVWRKEMNDDOL-UHFFFAOYSA-N -1 1 376.312 3.445 20 5 GGBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(Cl)c1 ZINC000057785522 564674719 /nfs/dbraw/zinc/67/47/19/564674719.db2.gz ACPCCNFPRVTVPD-UHFFFAOYSA-N -1 1 383.813 3.316 20 5 GGBDMM CC(C)n1c(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n[n-]c1=S ZINC000066649981 564772235 /nfs/dbraw/zinc/77/22/35/564772235.db2.gz FXGBRYSDAJANOA-SNVBAGLBSA-N -1 1 381.483 3.227 20 5 GGBDMM Cc1nn(C)c(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)c1[N+](=O)[O-] ZINC000134273732 564798321 /nfs/dbraw/zinc/79/83/21/564798321.db2.gz FLVDNYLBVMNLBJ-UHFFFAOYSA-N -1 1 378.801 3.061 20 5 GGBDMM Cc1csc(C2([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])CCCC2)n1 ZINC000079035856 564865799 /nfs/dbraw/zinc/86/57/99/564865799.db2.gz BCLZZZURBFLRPX-UHFFFAOYSA-N -1 1 381.479 3.416 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1ccc(Cl)s1 ZINC000146847107 564881799 /nfs/dbraw/zinc/88/17/99/564881799.db2.gz RTVZSHYCIXHQJK-UHFFFAOYSA-N -1 1 381.262 3.484 20 5 GGBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000104761141 564959822 /nfs/dbraw/zinc/95/98/22/564959822.db2.gz BSECHNVQLJOPLR-SNVBAGLBSA-N -1 1 375.859 3.443 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3ccccc3Cl)[nH]n2)c1 ZINC000153192362 564987443 /nfs/dbraw/zinc/98/74/43/564987443.db2.gz UVEYYCDELVCKRW-UHFFFAOYSA-N -1 1 378.797 3.439 20 5 GGBDMM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC000108759508 565016350 /nfs/dbraw/zinc/01/63/50/565016350.db2.gz KNNRXCLGUPYFCU-UHFFFAOYSA-N -1 1 393.165 3.436 20 5 GGBDMM COc1ccc([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000108759240 565016643 /nfs/dbraw/zinc/01/66/43/565016643.db2.gz KZCRNCUTCOCWKD-UHFFFAOYSA-N -1 1 387.211 3.167 20 5 GGBDMM O=C([N-]c1nc(-c2ccsc2)ns1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000109111254 565021654 /nfs/dbraw/zinc/02/16/54/565021654.db2.gz SOYVUVFANPEJDG-UHFFFAOYSA-N -1 1 377.363 3.335 20 5 GGBDMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000185779767 565221168 /nfs/dbraw/zinc/22/11/68/565221168.db2.gz TUENCRALMOTZEI-SSDOTTSWSA-N -1 1 376.316 3.052 20 5 GGBDMM CCn1cc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cn1 ZINC000295473775 565268447 /nfs/dbraw/zinc/26/84/47/565268447.db2.gz ZDOQVCYTNCMDOU-MRVPVSSYSA-N -1 1 393.252 3.158 20 5 GGBDMM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000186729797 565282091 /nfs/dbraw/zinc/28/20/91/565282091.db2.gz IZSMTJTVJHAEJN-MRVPVSSYSA-N -1 1 375.859 3.095 20 5 GGBDMM CCc1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000163396144 565344638 /nfs/dbraw/zinc/34/46/38/565344638.db2.gz TUCFBBLJVNVPOL-UHFFFAOYSA-N -1 1 395.384 3.111 20 5 GGBDMM Cc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)sc1C ZINC000163404437 565344893 /nfs/dbraw/zinc/34/48/93/565344893.db2.gz RGMFXYRQIRGGPP-UHFFFAOYSA-N -1 1 395.384 3.165 20 5 GGBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)c1 ZINC000164184734 565355871 /nfs/dbraw/zinc/35/58/71/565355871.db2.gz WHBLDYYKIBUSIO-UHFFFAOYSA-N -1 1 375.175 3.297 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCc2c(O)cccc21 ZINC000190341192 565522885 /nfs/dbraw/zinc/52/28/85/565522885.db2.gz SOMJBIMKRLNUGB-ZDUSSCGKSA-N -1 1 382.825 3.310 20 5 GGBDMM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C2CC2)n1 ZINC000173466742 565559686 /nfs/dbraw/zinc/55/96/86/565559686.db2.gz ZFHMBNVPGQEHHL-ZDUSSCGKSA-N -1 1 387.870 3.443 20 5 GGBDMM CO[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000173808119 565588391 /nfs/dbraw/zinc/58/83/91/565588391.db2.gz ZUQCEQGOWUKBDY-CQSZACIVSA-N -1 1 388.804 3.053 20 5 GGBDMM COc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000316818452 565592997 /nfs/dbraw/zinc/59/29/97/565592997.db2.gz BZNCNEABYBVGHJ-UHFFFAOYSA-N -1 1 387.211 3.167 20 5 GGBDMM CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000327918318 565633160 /nfs/dbraw/zinc/63/31/60/565633160.db2.gz KVNKVOCCRMFSLS-UHFFFAOYSA-N -1 1 384.797 3.310 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1OC(F)F ZINC000410166632 565668605 /nfs/dbraw/zinc/66/86/05/565668605.db2.gz WGRXPCRGQIVQEH-MWLCHTKSSA-N -1 1 384.788 3.077 20 5 GGBDMM C[C@@H](c1ccccc1Br)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193403915 565749444 /nfs/dbraw/zinc/74/94/44/565749444.db2.gz GOQNTNLGSOCFRA-VIFPVBQESA-N -1 1 380.198 3.291 20 5 GGBDMM C[C@H](c1ccccc1Br)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193403930 565749473 /nfs/dbraw/zinc/74/94/73/565749473.db2.gz GOQNTNLGSOCFRA-SECBINFHSA-N -1 1 380.198 3.291 20 5 GGBDMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000195066126 565856895 /nfs/dbraw/zinc/85/68/95/565856895.db2.gz DNZCABCNHIGIEY-QMMMGPOBSA-N -1 1 382.829 3.013 20 5 GGBDMM O=[N+]([O-])c1cccc(CS(=O)(=O)c2nc(-c3ccc(Cl)cc3)n[n-]2)c1 ZINC000195111624 565859156 /nfs/dbraw/zinc/85/91/56/565859156.db2.gz JIZGXHBZTIUUKC-UHFFFAOYSA-N -1 1 378.797 3.007 20 5 GGBDMM O=[N+]([O-])c1cccc(CS(=O)(=O)c2n[n-]c(-c3ccc(Cl)cc3)n2)c1 ZINC000195111624 565859159 /nfs/dbraw/zinc/85/91/59/565859159.db2.gz JIZGXHBZTIUUKC-UHFFFAOYSA-N -1 1 378.797 3.007 20 5 GGBDMM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000195669338 565891747 /nfs/dbraw/zinc/89/17/47/565891747.db2.gz NDSCYQUKADYTKP-LBPRGKRZSA-N -1 1 384.841 3.302 20 5 GGBDMM CC(C)(C)c1ccncc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000416584320 566090353 /nfs/dbraw/zinc/09/03/53/566090353.db2.gz HVYQEYNEVDMUDN-UHFFFAOYSA-N -1 1 383.857 3.419 20 5 GGBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)s1 ZINC000289801086 566141560 /nfs/dbraw/zinc/14/15/60/566141560.db2.gz JJCRFOGNYUQYAP-YFKPBYRVSA-N -1 1 397.265 3.101 20 5 GGBDMM Cc1nn(CCC(=O)Nc2cc(C)cc(Br)c2[O-])c(C)c1[N+](=O)[O-] ZINC000182932922 566230922 /nfs/dbraw/zinc/23/09/22/566230922.db2.gz KCYBNCPCYYVTAB-UHFFFAOYSA-N -1 1 397.229 3.213 20 5 GGBDMM O=C(Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)Nc1cc(Cl)cc(Cl)c1 ZINC000445376553 566286062 /nfs/dbraw/zinc/28/60/62/566286062.db2.gz VBQIUSLRAMTFTI-UHFFFAOYSA-N -1 1 382.163 3.461 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(O)c2F)c(Br)c1 ZINC000535766743 566326112 /nfs/dbraw/zinc/32/61/12/566326112.db2.gz CBFSMWFVTGLKFE-UHFFFAOYSA-N -1 1 391.174 3.003 20 5 GGBDMM Cc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000462699754 566343500 /nfs/dbraw/zinc/34/35/00/566343500.db2.gz UZENUNGCKJCYRY-LBPRGKRZSA-N -1 1 384.841 3.302 20 5 GGBDMM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000462714383 566346397 /nfs/dbraw/zinc/34/63/97/566346397.db2.gz FNAOMONLGQAWHO-NXEZZACHSA-N -1 1 379.276 3.460 20 5 GGBDMM Cc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000462724294 566347758 /nfs/dbraw/zinc/34/77/58/566347758.db2.gz CVRQFGVPZUKJFP-GFCCVEGCSA-N -1 1 384.841 3.302 20 5 GGBDMM O=C(Nc1nccn1Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000446675051 566360461 /nfs/dbraw/zinc/36/04/61/566360461.db2.gz FJADKQAQIVLKCA-UHFFFAOYSA-N -1 1 390.197 3.183 20 5 GGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(C(F)(F)F)CCCCC1 ZINC000510224871 566371611 /nfs/dbraw/zinc/37/16/11/566371611.db2.gz VRCDEWIMKNINKF-UHFFFAOYSA-N -1 1 382.360 3.147 20 5 GGBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1-c1cccs1 ZINC000446946319 566373006 /nfs/dbraw/zinc/37/30/06/566373006.db2.gz PSXISPRKNDYUFT-UHFFFAOYSA-N -1 1 378.435 3.410 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c(Br)c1 ZINC000447008987 566377871 /nfs/dbraw/zinc/37/78/71/566377871.db2.gz WQVIMXHRUCPPOC-UHFFFAOYSA-N -1 1 393.165 3.436 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2F)c(Br)c1 ZINC000447003961 566378734 /nfs/dbraw/zinc/37/87/34/566378734.db2.gz WJYQMZTUTDGOCV-UHFFFAOYSA-N -1 1 375.175 3.297 20 5 GGBDMM COCc1cnc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])s1 ZINC000557424512 566386662 /nfs/dbraw/zinc/38/66/62/566386662.db2.gz CXVYWAOMNNHLIP-UHFFFAOYSA-N -1 1 378.229 3.274 20 5 GGBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000511005297 566427595 /nfs/dbraw/zinc/42/75/95/566427595.db2.gz VTJYGFUMOKSIGN-VIFPVBQESA-N -1 1 380.813 3.164 20 5 GGBDMM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000557862021 566430135 /nfs/dbraw/zinc/43/01/35/566430135.db2.gz ARRYRLWICSNZFQ-ANRSDYALSA-N -1 1 386.788 3.188 20 5 GGBDMM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000557862024 566430301 /nfs/dbraw/zinc/43/03/01/566430301.db2.gz ARRYRLWICSNZFQ-AYVTZFPOSA-N -1 1 386.788 3.188 20 5 GGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1[N+](=O)[O-] ZINC000447790065 566430344 /nfs/dbraw/zinc/43/03/44/566430344.db2.gz VOFUACSERUTVRZ-UHFFFAOYSA-N -1 1 376.312 3.445 20 5 GGBDMM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1(C)C ZINC000463859404 566439425 /nfs/dbraw/zinc/43/94/25/566439425.db2.gz NTQMTIUQFBSVRR-OLZOCXBDSA-N -1 1 376.862 3.119 20 5 GGBDMM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000484814054 566457594 /nfs/dbraw/zinc/45/75/94/566457594.db2.gz QKXFAKQDFWTWDU-UHFFFAOYSA-N -1 1 384.797 3.364 20 5 GGBDMM CCc1[n-][nH]c(=NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1Br ZINC000448316342 566468082 /nfs/dbraw/zinc/46/80/82/566468082.db2.gz SBVSWWNGXMCDAF-UHFFFAOYSA-N -1 1 399.220 3.120 20 5 GGBDMM COc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000578453992 566523836 /nfs/dbraw/zinc/52/38/36/566523836.db2.gz LYPZVWNEIYWIED-WCQYABFASA-N -1 1 382.825 3.091 20 5 GGBDMM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000539639280 566593875 /nfs/dbraw/zinc/59/38/75/566593875.db2.gz SYNZPCCRQVWBFF-RYUDHWBXSA-N -1 1 376.862 3.120 20 5 GGBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC000468346144 566696766 /nfs/dbraw/zinc/69/67/66/566696766.db2.gz MZLKUFXRRGCTNN-UHFFFAOYSA-N -1 1 384.797 3.144 20 5 GGBDMM CC(C)(COc1ncccc1Br)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000561541993 566718487 /nfs/dbraw/zinc/71/84/87/566718487.db2.gz BIVDVSRTYJYLTI-UHFFFAOYSA-N -1 1 396.241 3.405 20 5 GGBDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1Cl ZINC000515632149 566725053 /nfs/dbraw/zinc/72/50/53/566725053.db2.gz LLEATSRDJRXHMB-UHFFFAOYSA-N -1 1 386.813 3.456 20 5 GGBDMM COc1ccccc1C(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000488646918 566738277 /nfs/dbraw/zinc/73/82/77/566738277.db2.gz QRKDVTQQXGCOEQ-UHFFFAOYSA-N -1 1 384.841 3.470 20 5 GGBDMM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488850005 566752672 /nfs/dbraw/zinc/75/26/72/566752672.db2.gz FDVYLGHPXRMIMF-GXSJLCMTSA-N -1 1 377.260 3.214 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CCc2ccccc21 ZINC000488964903 566759977 /nfs/dbraw/zinc/75/99/77/566759977.db2.gz BEWHCIBIPZIKKP-CYBMUJFWSA-N -1 1 397.250 3.323 20 5 GGBDMM C[C@H](CCC1CC1)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000469390980 566787640 /nfs/dbraw/zinc/78/76/40/566787640.db2.gz MCNONLNORTWARZ-SECBINFHSA-N -1 1 377.260 3.214 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1(c2cccc(F)c2)CC1 ZINC000610086629 566805273 /nfs/dbraw/zinc/80/52/73/566805273.db2.gz WNDRSQOMIITBDJ-UHFFFAOYSA-N -1 1 384.816 3.397 20 5 GGBDMM O=C(N[C@@H]1CSc2ccc(Br)cc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000428196781 566824168 /nfs/dbraw/zinc/82/41/68/566824168.db2.gz SLJUXSUIUKFNDJ-SNVBAGLBSA-N -1 1 396.222 3.035 20 5 GGBDMM CSCC1CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000451704263 566864871 /nfs/dbraw/zinc/86/48/71/566864871.db2.gz GIXGRWRTSYSACD-UHFFFAOYSA-N -1 1 378.903 3.448 20 5 GGBDMM CO[C@](C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000451822912 566889080 /nfs/dbraw/zinc/88/90/80/566889080.db2.gz JEDRCBWWXXBBGW-MRXNPFEDSA-N -1 1 384.841 3.088 20 5 GGBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2cc(Cl)ccc2Cl)c([N+](=O)[O-])n1 ZINC000491978359 566921546 /nfs/dbraw/zinc/92/15/46/566921546.db2.gz JOLSDVHELJUHBM-MRVPVSSYSA-N -1 1 393.252 3.158 20 5 GGBDMM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)ccc1[N+](=O)[O-] ZINC000471128081 566930009 /nfs/dbraw/zinc/93/00/09/566930009.db2.gz XECPGPCABDWFAS-UHFFFAOYSA-N -1 1 391.188 3.401 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000452872204 567027581 /nfs/dbraw/zinc/02/75/81/567027581.db2.gz QCRHBACAOHDMEO-LLVKDONJSA-N -1 1 392.209 3.088 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(OC)cc2Cl)c([N+](=O)[O-])c1 ZINC000565502747 567073875 /nfs/dbraw/zinc/07/38/75/567073875.db2.gz ISHNAMIRYFIIBF-UHFFFAOYSA-N -1 1 386.813 3.375 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c([N+](=O)[O-])c1 ZINC000432071554 567129368 /nfs/dbraw/zinc/12/93/68/567129368.db2.gz KDRMFPXPNHRHJX-UHFFFAOYSA-N -1 1 380.809 3.486 20 5 GGBDMM CC(C)(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000522800557 567131870 /nfs/dbraw/zinc/13/18/70/567131870.db2.gz CVJBTCQHINDIOI-NHYWBVRUSA-N -1 1 390.889 3.368 20 5 GGBDMM CC(C)(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000525174017 567230723 /nfs/dbraw/zinc/23/07/23/567230723.db2.gz KUFPJXIPOCUCEX-UHFFFAOYSA-N -1 1 387.820 3.038 20 5 GGBDMM CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(F)(F)F ZINC000547818265 567248202 /nfs/dbraw/zinc/24/82/02/567248202.db2.gz COODAJUICDFOJG-CYBMUJFWSA-N -1 1 377.344 3.152 20 5 GGBDMM CC(=O)Nc1cccnc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000567817261 567280564 /nfs/dbraw/zinc/28/05/64/567280564.db2.gz QWENNUCRDWYODW-UHFFFAOYSA-N -1 1 385.199 3.025 20 5 GGBDMM CC(C)(C)[C@H](CC(=O)[O-])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000548594468 567334509 /nfs/dbraw/zinc/33/45/09/567334509.db2.gz YAEKGNIYYBKJEC-JTQLQIEISA-N -1 1 399.252 3.069 20 5 GGBDMM C[C@H]1CC(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000548977171 567363931 /nfs/dbraw/zinc/36/39/31/567363931.db2.gz OPDCQCGRTPIPQS-QWRGUYRKSA-N -1 1 376.862 3.120 20 5 GGBDMM CSc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000435593989 567376994 /nfs/dbraw/zinc/37/69/94/567376994.db2.gz UPIMEOWZJPQPCF-UHFFFAOYSA-N -1 1 386.882 3.491 20 5 GGBDMM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc(Cl)c1 ZINC000477405959 567392960 /nfs/dbraw/zinc/39/29/60/567392960.db2.gz NNNJAFQAGNOXJW-UHFFFAOYSA-N -1 1 388.760 3.195 20 5 GGBDMM O=C(c1ccc(Br)cc1[O-])N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000436613083 567439158 /nfs/dbraw/zinc/43/91/58/567439158.db2.gz SIZVJTJOVKTFJT-UHFFFAOYSA-N -1 1 393.193 3.098 20 5 GGBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(C)=O)ccc1Cl ZINC000619468062 567455310 /nfs/dbraw/zinc/45/53/10/567455310.db2.gz VEYSNEZRRNOJHO-UHFFFAOYSA-N -1 1 384.797 3.260 20 5 GGBDMM CC(C)C[C@@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000478781763 567483158 /nfs/dbraw/zinc/48/31/58/567483158.db2.gz FTMBRYJPDLTFDX-JSGCOSHPSA-N -1 1 376.862 3.120 20 5 GGBDMM CC(C)[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000551993213 567548125 /nfs/dbraw/zinc/54/81/25/567548125.db2.gz ZMSLDSVKODHKIH-AWEZNQCLSA-N -1 1 383.857 3.361 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1CC[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000480001313 567574967 /nfs/dbraw/zinc/57/49/67/567574967.db2.gz XQMJKNMKSBZFBA-UHFFFAOYSA-N -1 1 394.758 3.187 20 5 GGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCc1ccc(Cl)cc1Cl ZINC000530617711 567614200 /nfs/dbraw/zinc/61/42/00/567614200.db2.gz NFANMRKSYSLXHO-UHFFFAOYSA-N -1 1 390.248 3.208 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCC2(CCCCC2)O1 ZINC000480902842 567641577 /nfs/dbraw/zinc/64/15/77/567641577.db2.gz WGSHHBKYKPTFQK-GFCCVEGCSA-N -1 1 388.873 3.408 20 5 GGBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)c1 ZINC000442941180 567718913 /nfs/dbraw/zinc/71/89/13/567718913.db2.gz HGCYJLGHNDIRCC-CYBMUJFWSA-N -1 1 378.303 3.316 20 5 GGBDMM CS(=O)(=O)[N-]c1ccc(Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])cn1 ZINC000573756477 567733835 /nfs/dbraw/zinc/73/38/35/567733835.db2.gz UVUJUQOESZJVKG-UHFFFAOYSA-N -1 1 378.193 3.460 20 5 GGBDMM O=C(c1ccc(Br)c([O-])c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461407701 567734667 /nfs/dbraw/zinc/73/46/67/567734667.db2.gz QKWQEXPUWYRWCT-UHFFFAOYSA-N -1 1 393.193 3.098 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1ccc(F)cc1F ZINC000554587483 567737302 /nfs/dbraw/zinc/73/73/02/567737302.db2.gz ZFBZVLLHYGRWLJ-UHFFFAOYSA-N -1 1 376.768 3.047 20 5 GGBDMM C[C@H](Cc1c(Cl)cccc1Cl)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000533909335 567792665 /nfs/dbraw/zinc/79/26/65/567792665.db2.gz TUCXKEAKQNKEOL-SECBINFHSA-N -1 1 390.248 3.206 20 5 GGBDMM C[C@@H](Cc1c(Cl)cccc1Cl)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000533909339 567792705 /nfs/dbraw/zinc/79/27/05/567792705.db2.gz TUCXKEAKQNKEOL-VIFPVBQESA-N -1 1 390.248 3.206 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCc1cccnc1 ZINC000006214082 570342770 /nfs/dbraw/zinc/34/27/70/570342770.db2.gz ABDRWVXMRXKUCY-UHFFFAOYSA-N -1 1 384.417 3.403 20 5 GGBDMM COC(=O)CCSc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000007156802 570806006 /nfs/dbraw/zinc/80/60/06/570806006.db2.gz WYBDJCOWPDFAMI-UHFFFAOYSA-N -1 1 396.446 3.051 20 5 GGBDMM O=C(Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)nc1 ZINC000738251047 599153093 /nfs/dbraw/zinc/15/30/93/599153093.db2.gz MDQHBVINICHMTD-UHFFFAOYSA-N -1 1 388.343 3.056 20 5 GGBDMM O=C(Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)nc1 ZINC000738251047 599153096 /nfs/dbraw/zinc/15/30/96/599153096.db2.gz MDQHBVINICHMTD-UHFFFAOYSA-N -1 1 388.343 3.056 20 5 GGBDMM O=[N+]([O-])c1cc(NCCc2ccc(Br)s2)ccc1-c1nn[n-]n1 ZINC000826498312 607840959 /nfs/dbraw/zinc/84/09/59/607840959.db2.gz PGDTVQOSYFCTAI-UHFFFAOYSA-N -1 1 395.242 3.254 20 5 GGBDMM O=C([O-])c1sc2ccccc2c1S(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000740281240 600052788 /nfs/dbraw/zinc/05/27/88/600052788.db2.gz SQBYDQMCNHKTFJ-UHFFFAOYSA-N -1 1 396.377 3.448 20 5 GGBDMM COc1ccc(-c2n[nH]c(CNc3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])n2)cc1 ZINC000737911682 600079692 /nfs/dbraw/zinc/07/96/92/600079692.db2.gz MVMOZYUJWJYEIW-OQFOIZHKSA-N -1 1 395.375 3.098 20 5 GGBDMM COc1ccc(-c2nc(CNc3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])n[nH]2)cc1 ZINC000737911682 600079696 /nfs/dbraw/zinc/07/96/96/600079696.db2.gz MVMOZYUJWJYEIW-OQFOIZHKSA-N -1 1 395.375 3.098 20 5 GGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000738399560 600245600 /nfs/dbraw/zinc/24/56/00/600245600.db2.gz ODAMBNMKXLHMTA-UHFFFAOYSA-N -1 1 388.760 3.195 20 5 GGBDMM O=C([O-])C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1 ZINC000776673576 600803957 /nfs/dbraw/zinc/80/39/57/600803957.db2.gz NIYGHPGYDFIUBV-AWEZNQCLSA-N -1 1 388.767 3.070 20 5 GGBDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000832905474 600993975 /nfs/dbraw/zinc/99/39/75/600993975.db2.gz NXXNCHQDPBVWAX-OAHLLOKOSA-N -1 1 385.420 3.065 20 5 GGBDMM Cc1ccc([C@@H](C)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1[N+](=O)[O-] ZINC000832920808 601369001 /nfs/dbraw/zinc/36/90/01/601369001.db2.gz HXFNOXUGOHADGD-BXUZGUMPSA-N -1 1 389.433 3.119 20 5 GGBDMM CC[C@@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc([N+](=O)[O-])c1 ZINC000828983022 601380307 /nfs/dbraw/zinc/38/03/07/601380307.db2.gz MSFQPSWRGBMGCB-HUUCEWRRSA-N -1 1 389.433 3.201 20 5 GGBDMM Cc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000263351757 601526720 /nfs/dbraw/zinc/52/67/20/601526720.db2.gz PYSQEBLBIWBMTC-OGWOLHLISA-N -1 1 397.431 3.236 20 5 GGBDMM CCN1C[C@H](C)[C@H](Nc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829754800 601565072 /nfs/dbraw/zinc/56/50/72/601565072.db2.gz YEHMZCAGCSKKJO-SCLBCKFNSA-N -1 1 397.431 3.276 20 5 GGBDMM Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000753065447 601782165 /nfs/dbraw/zinc/78/21/65/601782165.db2.gz HAPFFIQQPDMRLH-UHFFFAOYSA-N -1 1 388.760 3.195 20 5 GGBDMM Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(C(=O)[O-])c1 ZINC000832953041 601782816 /nfs/dbraw/zinc/78/28/16/601782816.db2.gz ZMJMWWYCUMAAGK-UHFFFAOYSA-N -1 1 384.797 3.364 20 5 GGBDMM Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@](C)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000263577297 601947093 /nfs/dbraw/zinc/94/70/93/601947093.db2.gz RJXKUCJVIQLCQD-NQIIRXRSSA-N -1 1 397.431 3.380 20 5 GGBDMM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000826105782 604373592 /nfs/dbraw/zinc/37/35/92/604373592.db2.gz IYMRLTISOQFPDZ-INIZCTEOSA-N -1 1 382.376 3.053 20 5 GGBDMM CN1CCC(Nc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000830928289 604629426 /nfs/dbraw/zinc/62/94/26/604629426.db2.gz JNDOCMKLXWUAJA-UHFFFAOYSA-N -1 1 383.404 3.030 20 5 GGBDMM CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833694246 604775905 /nfs/dbraw/zinc/77/59/05/604775905.db2.gz MEXFMVNWSWEMMW-OAHLLOKOSA-N -1 1 395.209 3.321 20 5 GGBDMM CC(C)(C(=O)[O-])[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000833412863 605182980 /nfs/dbraw/zinc/18/29/80/605182980.db2.gz DDOLVUSMGHVOSH-GOSISDBHSA-N -1 1 386.404 3.403 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000823620450 606698429 /nfs/dbraw/zinc/69/84/29/606698429.db2.gz LCBRIMADRMBXAH-GOSISDBHSA-N -1 1 399.414 3.322 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000823620450 606698431 /nfs/dbraw/zinc/69/84/31/606698431.db2.gz LCBRIMADRMBXAH-GOSISDBHSA-N -1 1 399.414 3.322 20 5 GGBDMM CC[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1ccccc1Cl ZINC000820908740 606714972 /nfs/dbraw/zinc/71/49/72/606714972.db2.gz PVBQQPJXULTARG-JTQLQIEISA-N -1 1 389.803 3.093 20 5 GGBDMM CC[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1ccccc1Cl ZINC000820908740 606714973 /nfs/dbraw/zinc/71/49/73/606714973.db2.gz PVBQQPJXULTARG-JTQLQIEISA-N -1 1 389.803 3.093 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000823620944 606718351 /nfs/dbraw/zinc/71/83/51/606718351.db2.gz UFXUSFIRBXZSBS-FQEVSTJZSA-N -1 1 391.435 3.044 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000823620944 606718352 /nfs/dbraw/zinc/71/83/52/606718352.db2.gz UFXUSFIRBXZSBS-FQEVSTJZSA-N -1 1 391.435 3.044 20 5 GGBDMM O=[N+]([O-])c1cnc(Oc2cc(Br)ccc2Cl)c(-c2nnn[n-]2)c1 ZINC000826500947 607867304 /nfs/dbraw/zinc/86/73/04/607867304.db2.gz SMSKKTMDKBMDOL-UHFFFAOYSA-N -1 1 397.576 3.378 20 5 GGBDMM O=[N+]([O-])c1cnc(Oc2cc(Br)ccc2Cl)c(-c2nn[n-]n2)c1 ZINC000826500947 607867305 /nfs/dbraw/zinc/86/73/05/607867305.db2.gz SMSKKTMDKBMDOL-UHFFFAOYSA-N -1 1 397.576 3.378 20 5 GGBDMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000054829263 1406832993 /nfs/dbraw/zinc/83/29/93/1406832993.db2.gz RJSOEZYQAJGHSC-UHFFFAOYSA-N -1 1 383.813 3.316 20 5 GGBDMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)C1CC1 ZINC000014097389 1399086462 /nfs/dbraw/zinc/08/64/62/1399086462.db2.gz NMDPGLZINIDBMD-UHFFFAOYSA-N -1 1 395.824 3.398 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000014097644 1399086477 /nfs/dbraw/zinc/08/64/77/1399086477.db2.gz AZEWDQHYJKSODW-UHFFFAOYSA-N -1 1 399.812 3.016 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)C2CC2)cc1 ZINC000014097388 1399086591 /nfs/dbraw/zinc/08/65/91/1399086591.db2.gz JUWCXGQKCGIUNA-UHFFFAOYSA-N -1 1 375.406 3.053 20 5 GGBDMM CSc1ccc([N+](=O)[O-])c(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000016196541 1399221040 /nfs/dbraw/zinc/22/10/40/1399221040.db2.gz VNIAGAXEHUHEOX-UHFFFAOYSA-N -1 1 387.369 3.486 20 5 GGBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(C(=O)N(C)C)ccc1Cl ZINC000055585774 1407013809 /nfs/dbraw/zinc/01/38/09/1407013809.db2.gz YNQNZNLRZMCSJU-UHFFFAOYSA-N -1 1 397.840 3.059 20 5 GGBDMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 ZINC000055616726 1407026545 /nfs/dbraw/zinc/02/65/45/1407026545.db2.gz JUVYALMFRYNRCY-UHFFFAOYSA-N -1 1 377.422 3.361 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cc1[N+](=O)[O-] ZINC000055631642 1407030401 /nfs/dbraw/zinc/03/04/01/1407030401.db2.gz KDBULPVJOMGQCE-MRXNPFEDSA-N -1 1 392.433 3.262 20 5 GGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC[C@H]2CCCO2)cc1 ZINC000055631550 1407030982 /nfs/dbraw/zinc/03/09/82/1407030982.db2.gz JCPKVALBXOZTDU-MRXNPFEDSA-N -1 1 392.433 3.262 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000055632421 1407031564 /nfs/dbraw/zinc/03/15/64/1407031564.db2.gz CMIUJZQUIFJFBQ-UHFFFAOYSA-N -1 1 391.449 3.232 20 5 GGBDMM COCCOCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000055632657 1407032396 /nfs/dbraw/zinc/03/23/96/1407032396.db2.gz RRDGBPYCTZKQKW-UHFFFAOYSA-N -1 1 394.449 3.175 20 5 GGBDMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000022930361 1399518415 /nfs/dbraw/zinc/51/84/15/1399518415.db2.gz LRORAMYLGAYYSX-NSHDSACASA-N -1 1 376.438 3.058 20 5 GGBDMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000022930364 1399518528 /nfs/dbraw/zinc/51/85/28/1399518528.db2.gz LRORAMYLGAYYSX-LLVKDONJSA-N -1 1 376.438 3.058 20 5 GGBDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000055638768 1407035220 /nfs/dbraw/zinc/03/52/20/1407035220.db2.gz NKLZBFYRMDJTKL-UHFFFAOYSA-N -1 1 377.422 3.443 20 5 GGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-n2cccn2)c(F)c1 ZINC000055649345 1407041658 /nfs/dbraw/zinc/04/16/58/1407041658.db2.gz QBNPTTKPHANREE-UHFFFAOYSA-N -1 1 376.369 3.029 20 5 GGBDMM COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)N2CCCCC2)cc1 ZINC000027669034 1400073737 /nfs/dbraw/zinc/07/37/37/1400073737.db2.gz DNWZSIQLFKSZRH-IBGZPJMESA-N -1 1 399.447 3.266 20 5 GGBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(CC(C)C)s2)cc1OC ZINC000028242310 1400142583 /nfs/dbraw/zinc/14/25/83/1400142583.db2.gz HCEYWYCTNDOIKI-UHFFFAOYSA-N -1 1 380.426 3.304 20 5 GGBDMM CCC(CC)c1nnc([N-]C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)s1 ZINC000028701468 1400188205 /nfs/dbraw/zinc/18/82/05/1400188205.db2.gz KGTHMZATFANMIA-UHFFFAOYSA-N -1 1 398.466 3.006 20 5 GGBDMM CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000028781707 1400195465 /nfs/dbraw/zinc/19/54/65/1400195465.db2.gz YWAHCKPMQJMQPR-YRNVUSSQSA-N -1 1 390.417 3.280 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccccc1)c1ccccn1 ZINC000047671067 1404890890 /nfs/dbraw/zinc/89/08/90/1404890890.db2.gz WOUJATXVPRTDPS-KRWDZBQOSA-N -1 1 387.392 3.197 20 5 GGBDMM CN(Cc1c(Cl)cccc1Cl)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821607215 1426644894 /nfs/dbraw/zinc/64/48/94/1426644894.db2.gz DPYHWWCSYRQGJC-UHFFFAOYSA-N -1 1 380.195 3.113 20 5 GGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1F ZINC000052025433 1405904383 /nfs/dbraw/zinc/90/43/83/1405904383.db2.gz QELQRMDZFWRGGZ-UHFFFAOYSA-N -1 1 384.385 3.331 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCOc2c(Cl)cccc21 ZINC000057010768 1407499271 /nfs/dbraw/zinc/49/92/71/1407499271.db2.gz YLKFZFYNRRAZHO-LBPRGKRZSA-N -1 1 386.788 3.189 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCOc2c(Cl)cccc21 ZINC000057010770 1407499447 /nfs/dbraw/zinc/49/94/47/1407499447.db2.gz YLKFZFYNRRAZHO-GFCCVEGCSA-N -1 1 386.788 3.189 20 5 GGBDMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000057498094 1407637789 /nfs/dbraw/zinc/63/77/89/1407637789.db2.gz CZPFASWHEGWQBH-UHFFFAOYSA-N -1 1 377.422 3.279 20 5 GGBDMM O=C(C[C@@H]1CCc2ccccc21)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826405073 1428254474 /nfs/dbraw/zinc/25/44/74/1428254474.db2.gz VBWGEYPMEBYCGW-NSHDSACASA-N -1 1 398.810 3.487 20 5 GGBDMM COCc1ccccc1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737022602 1428275106 /nfs/dbraw/zinc/27/51/06/1428275106.db2.gz YAKOERIJPQRIDJ-UHFFFAOYSA-N -1 1 391.391 3.082 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc1[N+](=O)[O-] ZINC000063849420 1408427360 /nfs/dbraw/zinc/42/73/60/1408427360.db2.gz ZQZJCMVEIDNCPX-UHFFFAOYSA-N -1 1 380.422 3.329 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1[N+](=O)[O-] ZINC000064938394 1408630584 /nfs/dbraw/zinc/63/05/84/1408630584.db2.gz YFNJWVBIOMHESS-UHFFFAOYSA-N -1 1 392.433 3.331 20 5 GGBDMM O=C([N-]c1nnc(-c2ccccc2)s1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066275005 1408802228 /nfs/dbraw/zinc/80/22/28/1408802228.db2.gz RGWZDZNQFBTKFQ-UHFFFAOYSA-N -1 1 384.373 3.137 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1 ZINC000066445507 1408840107 /nfs/dbraw/zinc/84/01/07/1408840107.db2.gz SVGMGSGIDDPUFG-MRXNPFEDSA-N -1 1 388.405 3.123 20 5 GGBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067078810 1409003528 /nfs/dbraw/zinc/00/35/28/1409003528.db2.gz SKZZWVYLMHLGSB-SNVBAGLBSA-N -1 1 393.494 3.023 20 5 GGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(NC(C)=O)ccc1C ZINC000067123950 1409014070 /nfs/dbraw/zinc/01/40/70/1409014070.db2.gz ZXKHRSHAIXRCGU-UHFFFAOYSA-N -1 1 377.422 3.225 20 5 GGBDMM C[C@@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000736161080 1428373122 /nfs/dbraw/zinc/37/31/22/1428373122.db2.gz VRQCPZIHBLHQTL-SNVBAGLBSA-N -1 1 378.348 3.174 20 5 GGBDMM Cc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(Br)c1 ZINC000822267453 1428386347 /nfs/dbraw/zinc/38/63/47/1428386347.db2.gz UIGGSTZLFGQLDP-UHFFFAOYSA-N -1 1 377.158 3.033 20 5 GGBDMM CCOc1cc(C(=O)[N-]c2nc(C(C)(C)C)ns2)c([N+](=O)[O-])cc1OC ZINC000068073503 1409291025 /nfs/dbraw/zinc/29/10/25/1409291025.db2.gz FREHJVBXGZNIJK-UHFFFAOYSA-N -1 1 380.426 3.403 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCSCc1ccnc(Cl)c1 ZINC000826497913 1428399600 /nfs/dbraw/zinc/39/96/00/1428399600.db2.gz YLIWQWMZVAFZPQ-UHFFFAOYSA-N -1 1 391.844 3.169 20 5 GGBDMM CCn1c(C2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)n[n-]c1=S ZINC000068452761 1409407529 /nfs/dbraw/zinc/40/75/29/1409407529.db2.gz HHYIIYDTWZRUOC-UHFFFAOYSA-N -1 1 375.454 3.197 20 5 GGBDMM CCc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)s1 ZINC000176726887 1428437078 /nfs/dbraw/zinc/43/70/78/1428437078.db2.gz BQMSSJHBVZRNKW-UHFFFAOYSA-N -1 1 375.859 3.054 20 5 GGBDMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3C)cc2F)c1 ZINC000093929179 1410286470 /nfs/dbraw/zinc/28/64/70/1410286470.db2.gz GXHIAQSQHRWKRU-UHFFFAOYSA-N -1 1 390.396 3.337 20 5 GGBDMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])c(C)c3)ccc21 ZINC000093930621 1410287351 /nfs/dbraw/zinc/28/73/51/1410287351.db2.gz QZDQAIIDTXUJFR-UHFFFAOYSA-N -1 1 389.433 3.003 20 5 GGBDMM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1c[n-]c2ccccc2c1=O ZINC000101950000 1410530721 /nfs/dbraw/zinc/53/07/21/1410530721.db2.gz GTFOCFIURNOZFM-UHFFFAOYSA-N -1 1 375.344 3.079 20 5 GGBDMM CC[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Oc1ccccc1F ZINC000176924302 1428521914 /nfs/dbraw/zinc/52/19/14/1428521914.db2.gz YVVOPHRFMONXGC-NSHDSACASA-N -1 1 386.376 3.009 20 5 GGBDMM CC[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Oc1ccccc1F ZINC000176924315 1428521988 /nfs/dbraw/zinc/52/19/88/1428521988.db2.gz YVVOPHRFMONXGC-LLVKDONJSA-N -1 1 386.376 3.009 20 5 GGBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)c1 ZINC000108206529 1411451894 /nfs/dbraw/zinc/45/18/94/1411451894.db2.gz SCCSNRHVQTUIDG-UHFFFAOYSA-N -1 1 388.380 3.437 20 5 GGBDMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000108536418 1411532399 /nfs/dbraw/zinc/53/23/99/1411532399.db2.gz BHIYWEXQDXDWKI-UHFFFAOYSA-N -1 1 383.433 3.141 20 5 GGBDMM CC(C)S(=O)(=O)c1ccc(F)c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000110177824 1411835652 /nfs/dbraw/zinc/83/56/52/1411835652.db2.gz CJRXOGYZZOCRBP-UHFFFAOYSA-N -1 1 384.360 3.307 20 5 GGBDMM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000822217941 1428606339 /nfs/dbraw/zinc/60/63/39/1428606339.db2.gz SDIGALIUIVYCDR-UHFFFAOYSA-N -1 1 393.407 3.280 20 5 GGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000111632402 1412004176 /nfs/dbraw/zinc/00/41/76/1412004176.db2.gz IGGDNEFVQDDGRS-UHFFFAOYSA-N -1 1 384.367 3.336 20 5 GGBDMM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000115928532 1412816532 /nfs/dbraw/zinc/81/65/32/1412816532.db2.gz IAPPGQZNMFUSEV-ZJUUUORDSA-N -1 1 379.276 3.460 20 5 GGBDMM COc1ccc2cc(C[N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)ccc2c1 ZINC000119382161 1413430348 /nfs/dbraw/zinc/43/03/48/1413430348.db2.gz GTMQLCIPNVILDE-UHFFFAOYSA-N -1 1 378.431 3.297 20 5 GGBDMM Cc1cccc([C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c2ccccn2)c1 ZINC000120211789 1413732901 /nfs/dbraw/zinc/73/29/01/1413732901.db2.gz URJFJQAFBNZQFX-KRWDZBQOSA-N -1 1 389.458 3.428 20 5 GGBDMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000121725292 1414237131 /nfs/dbraw/zinc/23/71/31/1414237131.db2.gz KJTXRZQATAOHEB-UHFFFAOYSA-N -1 1 399.432 3.472 20 5 GGBDMM Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000121969478 1414326835 /nfs/dbraw/zinc/32/68/35/1414326835.db2.gz FJIBPZAOQDEZGN-UHFFFAOYSA-N -1 1 392.256 3.110 20 5 GGBDMM COc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)ccc1[N+](=O)[O-] ZINC000177616612 1428811750 /nfs/dbraw/zinc/81/17/50/1428811750.db2.gz GZRSPZFMPIZRNM-UHFFFAOYSA-N -1 1 391.449 3.313 20 5 GGBDMM COCCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000125011103 1415091237 /nfs/dbraw/zinc/09/12/37/1415091237.db2.gz QEYVUEOACMHWMC-UHFFFAOYSA-N -1 1 376.862 3.123 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)ccc1Br ZINC000177840606 1428869875 /nfs/dbraw/zinc/86/98/75/1428869875.db2.gz UJFXMRHEKOZIKJ-UHFFFAOYSA-N -1 1 399.222 3.093 20 5 GGBDMM Cc1ccc(OC2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)cc1 ZINC000737365102 1428890497 /nfs/dbraw/zinc/89/04/97/1428890497.db2.gz PPBDHJCXOBJEKU-UHFFFAOYSA-N -1 1 380.408 3.131 20 5 GGBDMM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000822193275 1428917657 /nfs/dbraw/zinc/91/76/57/1428917657.db2.gz QOIFAOPQFYLRNR-UHFFFAOYSA-N -1 1 383.393 3.220 20 5 GGBDMM C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508280 1428925085 /nfs/dbraw/zinc/92/50/85/1428925085.db2.gz NUJVVJKHULKVKD-JTQLQIEISA-N -1 1 379.332 3.439 20 5 GGBDMM O=[N+]([O-])c1ccc(NCCc2ccc(Br)cc2)c(-c2nnn[n-]2)c1 ZINC000738368902 1428957328 /nfs/dbraw/zinc/95/73/28/1428957328.db2.gz FMMQDPPVQPLMOT-UHFFFAOYSA-N -1 1 389.213 3.192 20 5 GGBDMM Cc1sc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(-c2nn[n-]n2)c1C ZINC000826349871 1428974399 /nfs/dbraw/zinc/97/43/99/1428974399.db2.gz XWWFMIVYFPAHJA-UHFFFAOYSA-N -1 1 397.420 3.116 20 5 GGBDMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)cc2F)c1 ZINC000127954232 1415882256 /nfs/dbraw/zinc/88/22/56/1415882256.db2.gz IZMGTZJEUJFASA-UHFFFAOYSA-N -1 1 376.369 3.029 20 5 GGBDMM O=[N+]([O-])c1cccc(Br)c1OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823646768 1429028619 /nfs/dbraw/zinc/02/86/19/1429028619.db2.gz ADEKPXJEYFSWOE-UHFFFAOYSA-N -1 1 394.160 3.256 20 5 GGBDMM C[C@H](O)C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000128909062 1416098959 /nfs/dbraw/zinc/09/89/59/1416098959.db2.gz FIKMMIMDFPYUNY-GXTWGEPZSA-N -1 1 398.868 3.081 20 5 GGBDMM Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccn2)c1 ZINC000129788964 1416264011 /nfs/dbraw/zinc/26/40/11/1416264011.db2.gz CSGWPCIBROPQAE-LJQANCHMSA-N -1 1 383.429 3.366 20 5 GGBDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1C ZINC000129981187 1416295695 /nfs/dbraw/zinc/29/56/95/1416295695.db2.gz CTGVHNODKLAKOW-UHFFFAOYSA-N -1 1 381.385 3.110 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2cnn(CCCOc3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC000823634780 1429090968 /nfs/dbraw/zinc/09/09/68/1429090968.db2.gz LWHNLRIVMLOMFA-UHFFFAOYSA-N -1 1 391.391 3.108 20 5 GGBDMM Cc1c(CC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cccc1[N+](=O)[O-] ZINC000130280038 1416351097 /nfs/dbraw/zinc/35/10/97/1416351097.db2.gz PRIVJUSMWXYVON-UHFFFAOYSA-N -1 1 382.416 3.273 20 5 GGBDMM CCOCCOc1cc(C)ccc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821384356 1429094828 /nfs/dbraw/zinc/09/48/28/1429094828.db2.gz WCKPUYLWBDRKDB-UHFFFAOYSA-N -1 1 398.423 3.111 20 5 GGBDMM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1coc(-c2ccccc2)n1 ZINC000131072312 1416504961 /nfs/dbraw/zinc/50/49/61/1416504961.db2.gz JBJYOFWAJXUVHE-UHFFFAOYSA-N -1 1 376.332 3.287 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2noc(CSc3ccccc3-c3nn[n-]n3)n2)c1 ZINC000738366064 1429105359 /nfs/dbraw/zinc/10/53/59/1429105359.db2.gz ATGYRJSVNIQXNQ-UHFFFAOYSA-N -1 1 381.377 3.117 20 5 GGBDMM O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000131347400 1416543217 /nfs/dbraw/zinc/54/32/17/1416543217.db2.gz AMMXEPKGPHOLMQ-UHFFFAOYSA-N -1 1 375.344 3.491 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(O)c2F)cc1Br ZINC000131545653 1416573841 /nfs/dbraw/zinc/57/38/41/1416573841.db2.gz RZWONZGXHDMIAY-UHFFFAOYSA-N -1 1 391.174 3.003 20 5 GGBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cn2cccn2)cc1 ZINC000132289746 1416730001 /nfs/dbraw/zinc/73/00/01/1416730001.db2.gz AWMLVQBTTCBQRG-UHFFFAOYSA-N -1 1 390.396 3.088 20 5 GGBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)ccc1C ZINC000132333518 1416739369 /nfs/dbraw/zinc/73/93/69/1416739369.db2.gz KLWOBEFOWOXRJF-UHFFFAOYSA-N -1 1 381.385 3.110 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)cc([N+](=O)[O-])c1F ZINC000132456852 1416764622 /nfs/dbraw/zinc/76/46/22/1416764622.db2.gz GWSKLHIAPINZJD-UHFFFAOYSA-N -1 1 378.381 3.362 20 5 GGBDMM O=C(Nc1sccc1-c1nnn[n-]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000823387671 1429132165 /nfs/dbraw/zinc/13/21/65/1429132165.db2.gz UBFOMXDQACPWRF-UHFFFAOYSA-N -1 1 384.299 3.108 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)cc1[N+](=O)[O-] ZINC000134043782 1417014173 /nfs/dbraw/zinc/01/41/73/1417014173.db2.gz YOADXWJAEKXRGY-UHFFFAOYSA-N -1 1 390.421 3.335 20 5 GGBDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)cc1 ZINC000134066113 1417016797 /nfs/dbraw/zinc/01/67/97/1417016797.db2.gz WDGZVMMFOIEQDE-UHFFFAOYSA-N -1 1 383.813 3.316 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCOC2(CCCCC2)C1 ZINC000134665030 1417109025 /nfs/dbraw/zinc/10/90/25/1417109025.db2.gz KZAJMXJCKURKMV-ZDUSSCGKSA-N -1 1 388.873 3.408 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)cc1[N+](=O)[O-] ZINC000134689089 1417112430 /nfs/dbraw/zinc/11/24/30/1417112430.db2.gz FSTGSBOLKQZORQ-UHFFFAOYSA-N -1 1 389.389 3.368 20 5 GGBDMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(Br)n1 ZINC000135241205 1417194225 /nfs/dbraw/zinc/19/42/25/1417194225.db2.gz QLYYXGDMJCMAJV-UHFFFAOYSA-N -1 1 390.190 3.001 20 5 GGBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])c2C)o1 ZINC000135403204 1417215123 /nfs/dbraw/zinc/21/51/23/1417215123.db2.gz VUUFATZSIXDFDN-UHFFFAOYSA-N -1 1 380.357 3.135 20 5 GGBDMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3F)c2C)o1 ZINC000135406960 1417215782 /nfs/dbraw/zinc/21/57/82/1417215782.db2.gz UNLJVBUXLMANFN-UHFFFAOYSA-N -1 1 394.384 3.443 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2n[nH]c(-c3ccc(C)o3)c2C)cc1[N+](=O)[O-] ZINC000135410098 1417216551 /nfs/dbraw/zinc/21/65/51/1417216551.db2.gz LEUMFWNZHNUZFY-UHFFFAOYSA-N -1 1 392.393 3.004 20 5 GGBDMM CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c(Cl)c1 ZINC000135975591 1417283324 /nfs/dbraw/zinc/28/33/24/1417283324.db2.gz HZZRROZCCNVRPH-UHFFFAOYSA-N -1 1 397.840 3.025 20 5 GGBDMM Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000138325183 1417410449 /nfs/dbraw/zinc/41/04/49/1417410449.db2.gz OMMTWXXWYZJBDE-UHFFFAOYSA-N -1 1 395.419 3.079 20 5 GGBDMM CC(=O)Nc1cccc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000146695609 1417728999 /nfs/dbraw/zinc/72/89/99/1417728999.db2.gz YJQMSBJOQDPKIB-JTQLQIEISA-N -1 1 397.840 3.246 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCSC(F)(F)F)c(C(F)(F)F)c1 ZINC000179026768 1429245451 /nfs/dbraw/zinc/24/54/51/1429245451.db2.gz LJFUKPJHXQYZLD-UHFFFAOYSA-N -1 1 398.306 3.145 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(OCc2ccc(-c3nnn[n-]3)cc2Br)c1 ZINC000826293233 1429307082 /nfs/dbraw/zinc/30/70/82/1429307082.db2.gz HDEYYLHSISNGIO-UHFFFAOYSA-N -1 1 390.197 3.425 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000738361047 1429321240 /nfs/dbraw/zinc/32/12/40/1429321240.db2.gz TXDLXXFTJBIHIU-UHFFFAOYSA-N -1 1 394.160 3.256 20 5 GGBDMM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000824611556 1429332376 /nfs/dbraw/zinc/33/23/76/1429332376.db2.gz BAKQIWMMHXOJPX-JTQLQIEISA-N -1 1 390.350 3.227 20 5 GGBDMM Cc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(OC(C)(C)C)c1 ZINC000822238696 1429360223 /nfs/dbraw/zinc/36/02/23/1429360223.db2.gz QSAMQHWACFPTHT-UHFFFAOYSA-N -1 1 383.412 3.268 20 5 GGBDMM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cccc(Cl)c3)C2)c(-c2nnn[n-]2)c1 ZINC000823639470 1429360588 /nfs/dbraw/zinc/36/05/88/1429360588.db2.gz AVRHRYVVYCZZEC-LBPRGKRZSA-N -1 1 385.815 3.119 20 5 GGBDMM Cc1c(CN2CCSCC2)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179463208 1429384389 /nfs/dbraw/zinc/38/43/89/1429384389.db2.gz ZJMDOPPBNOGRPC-UHFFFAOYSA-N -1 1 387.461 3.410 20 5 GGBDMM O=[N+]([O-])c1ncccc1Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738373757 1429414312 /nfs/dbraw/zinc/41/43/12/1429414312.db2.gz GUTZHROKIZHPQA-UHFFFAOYSA-N -1 1 389.375 3.493 20 5 GGBDMM Cc1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737355879 1429457178 /nfs/dbraw/zinc/45/71/78/1429457178.db2.gz MIMOUZFCLPHNOU-UHFFFAOYSA-N -1 1 396.407 3.271 20 5 GGBDMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)cc2F)c1 ZINC000179643327 1429486456 /nfs/dbraw/zinc/48/64/56/1429486456.db2.gz RLXXZAQPDGXDJT-UHFFFAOYSA-N -1 1 376.369 3.029 20 5 GGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000152968904 1422311344 /nfs/dbraw/zinc/31/13/44/1422311344.db2.gz DICSQCVOZXUFRC-LBPRGKRZSA-N -1 1 391.811 3.280 20 5 GGBDMM Cc1cc(F)cc2c(=O)c(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc34)c[n-]c12 ZINC000153182824 1422384567 /nfs/dbraw/zinc/38/45/67/1422384567.db2.gz LQGBTNZQHOFCLQ-UHFFFAOYSA-N -1 1 381.323 3.012 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)[nH]n2)c1 ZINC000153195067 1422387945 /nfs/dbraw/zinc/38/79/45/1422387945.db2.gz MDXJDVFUFNTKQC-UHFFFAOYSA-N -1 1 398.322 3.203 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCO[C@@H]1CCCc2ccccc21 ZINC000823624931 1429584501 /nfs/dbraw/zinc/58/45/01/1429584501.db2.gz LFQMVIZSNWPGSS-MRXNPFEDSA-N -1 1 395.423 3.066 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2noc(CSc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000738360675 1423272290 /nfs/dbraw/zinc/27/22/90/1423272290.db2.gz SFYPZGRFEYAMII-UHFFFAOYSA-N -1 1 381.377 3.117 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1Oc1ncc(-c2nnn[n-]2)cc1Cl ZINC000823634211 1423557604 /nfs/dbraw/zinc/55/76/04/1423557604.db2.gz DFZAZWGFRZZOSL-UHFFFAOYSA-N -1 1 397.576 3.378 20 5 GGBDMM O=C(Nc1nn[n-]n1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000184061597 1423605795 /nfs/dbraw/zinc/60/57/95/1423605795.db2.gz FIZWSOZBMUPOKS-UHFFFAOYSA-N -1 1 376.785 3.165 20 5 GGBDMM O=[N+]([O-])c1cc(Br)cnc1Sc1cccc(-c2nn[n-]n2)c1 ZINC000823635520 1423636772 /nfs/dbraw/zinc/63/67/72/1423636772.db2.gz ZYJIOIZRYHYDLX-UHFFFAOYSA-N -1 1 379.199 3.084 20 5 GGBDMM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000826465144 1423683465 /nfs/dbraw/zinc/68/34/65/1423683465.db2.gz ANJSWIIYTMXWHL-UHFFFAOYSA-N -1 1 394.174 3.439 20 5 GGBDMM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820479762 1423694367 /nfs/dbraw/zinc/69/43/67/1423694367.db2.gz BYBKGDBOOPDTPY-GFCCVEGCSA-N -1 1 397.391 3.237 20 5 GGBDMM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccc(-n2ccnc2)c1 ZINC000820456301 1423748817 /nfs/dbraw/zinc/74/88/17/1423748817.db2.gz RUKKSITZGXNDBX-GFCCVEGCSA-N -1 1 376.380 3.134 20 5 GGBDMM Cc1cc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)ccc1[N+](=O)[O-] ZINC000826270975 1423762887 /nfs/dbraw/zinc/76/28/87/1423762887.db2.gz WIUWMJPCUAXTGT-UHFFFAOYSA-N -1 1 395.423 3.280 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cc(F)c(F)c(F)c1 ZINC000826451058 1423878945 /nfs/dbraw/zinc/87/89/45/1423878945.db2.gz NVKYZOVVXNXZDQ-UHFFFAOYSA-N -1 1 398.688 3.098 20 5 GGBDMM COc1cc(-c2nnn[n-]2)ccc1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000826168320 1424072792 /nfs/dbraw/zinc/07/27/92/1424072792.db2.gz JLYWWELZHGLTKI-UHFFFAOYSA-N -1 1 382.424 3.194 20 5 GGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1 ZINC000157841761 1424101551 /nfs/dbraw/zinc/10/15/51/1424101551.db2.gz GGHPBISPQBWECU-UHFFFAOYSA-N -1 1 393.490 3.257 20 5 GGBDMM C[C@@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000158190821 1424191073 /nfs/dbraw/zinc/19/10/73/1424191073.db2.gz FIGOUFPURZKYDU-CABZTGNLSA-N -1 1 390.870 3.100 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc([N+](=O)[O-])c1F ZINC000180061630 1429719700 /nfs/dbraw/zinc/71/97/00/1429719700.db2.gz MFQTYQRXKXUFGS-UHFFFAOYSA-N -1 1 394.359 3.168 20 5 GGBDMM Cc1nc(Cl)ccc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826326470 1429721439 /nfs/dbraw/zinc/72/14/39/1429721439.db2.gz QQCPIDJXLJCQQG-UHFFFAOYSA-N -1 1 394.178 3.037 20 5 GGBDMM Cc1cc(F)ccc1N1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737270688 1429723766 /nfs/dbraw/zinc/72/37/66/1429723766.db2.gz OSRUGQODXVHFFS-AWEZNQCLSA-N -1 1 397.414 3.303 20 5 GGBDMM O=C(c1sccc1-c1nn[n-]n1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000738291637 1424430897 /nfs/dbraw/zinc/43/08/97/1424430897.db2.gz IINUEYLTOUVGJU-UHFFFAOYSA-N -1 1 384.421 3.426 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000159796783 1424536311 /nfs/dbraw/zinc/53/63/11/1424536311.db2.gz OHFASVIQLNTJFO-CZUORRHYSA-N -1 1 394.424 3.180 20 5 GGBDMM CCOc1ccccc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825653713 1424569849 /nfs/dbraw/zinc/56/98/49/1424569849.db2.gz IJRXAXZDQBKFCM-UHFFFAOYSA-N -1 1 388.771 3.079 20 5 GGBDMM COc1ccccc1[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)N1CCCCC1 ZINC000160076020 1424570780 /nfs/dbraw/zinc/57/07/80/1424570780.db2.gz HCXPUYDEHBDZMG-SFHVURJKSA-N -1 1 399.447 3.266 20 5 GGBDMM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000822217465 1424673304 /nfs/dbraw/zinc/67/33/04/1424673304.db2.gz FNBKMJLHUAKSOP-GFCCVEGCSA-N -1 1 381.396 3.274 20 5 GGBDMM CCOc1ccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000821417551 1424807166 /nfs/dbraw/zinc/80/71/66/1424807166.db2.gz OJWGKDDCHFDQNN-LLVKDONJSA-N -1 1 383.364 3.092 20 5 GGBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825673795 1424832157 /nfs/dbraw/zinc/83/21/57/1424832157.db2.gz CGVXCFFLTOLKAB-UHFFFAOYSA-N -1 1 396.432 3.090 20 5 GGBDMM COc1cc(NCCSCc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000821719337 1424846066 /nfs/dbraw/zinc/84/60/66/1424846066.db2.gz BZKVQAHYKFOTFH-UHFFFAOYSA-N -1 1 386.437 3.129 20 5 GGBDMM Cc1sc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC000822563493 1424891092 /nfs/dbraw/zinc/89/10/92/1424891092.db2.gz LBQDJRLQAKSYJF-UHFFFAOYSA-N -1 1 378.801 3.359 20 5 GGBDMM C[C@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502791 1424898909 /nfs/dbraw/zinc/89/89/09/1424898909.db2.gz VVIGGNKHOIQJDF-JTQLQIEISA-N -1 1 378.348 3.174 20 5 GGBDMM Cc1nn(C)c(Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000737510141 1424900455 /nfs/dbraw/zinc/90/04/55/1424900455.db2.gz GJXHRPWNKPKCEP-UHFFFAOYSA-N -1 1 392.379 3.353 20 5 GGBDMM CCCNc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000825333107 1424945555 /nfs/dbraw/zinc/94/55/55/1424945555.db2.gz REOLWXGWYIJBHF-UHFFFAOYSA-N -1 1 395.423 3.086 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000163346059 1424982787 /nfs/dbraw/zinc/98/27/87/1424982787.db2.gz NIXXPLLWKODMBV-CJNGLKHVSA-N -1 1 396.852 3.447 20 5 GGBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)ccc1C ZINC000180162335 1429774084 /nfs/dbraw/zinc/77/40/84/1429774084.db2.gz MFTZPOSTKMNOPV-UHFFFAOYSA-N -1 1 377.422 3.279 20 5 GGBDMM COc1ccc(CSCc2ccc(OC)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826207939 1425207617 /nfs/dbraw/zinc/20/76/17/1425207617.db2.gz LHOVWUZCPBPHLN-UHFFFAOYSA-N -1 1 387.421 3.226 20 5 GGBDMM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000825625615 1425239837 /nfs/dbraw/zinc/23/98/37/1425239837.db2.gz ADEHWTSAPASUTH-UHFFFAOYSA-N -1 1 396.407 3.351 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1coc(-c2cccs2)n1 ZINC000170657696 1425280237 /nfs/dbraw/zinc/28/02/37/1425280237.db2.gz IHKMDYTZSYJLFM-UHFFFAOYSA-N -1 1 399.837 3.443 20 5 GGBDMM Cc1cccc(F)c1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822309341 1425322675 /nfs/dbraw/zinc/32/26/75/1425322675.db2.gz VANWNFYBYCEPQS-UHFFFAOYSA-N -1 1 379.355 3.383 20 5 GGBDMM C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824612305 1425383828 /nfs/dbraw/zinc/38/38/28/1425383828.db2.gz MQBBUXHIPJZYSJ-VIFPVBQESA-N -1 1 376.779 3.418 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc2cccnc21 ZINC000171088912 1425476693 /nfs/dbraw/zinc/47/66/93/1425476693.db2.gz OQDDQNSQPIFXHG-UHFFFAOYSA-N -1 1 377.809 3.275 20 5 GGBDMM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1ccc([N+](=O)[O-])o1 ZINC000738186419 1425604799 /nfs/dbraw/zinc/60/47/99/1425604799.db2.gz YVYKJXBQSKSPOV-UHFFFAOYSA-N -1 1 392.331 3.413 20 5 GGBDMM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c(Cl)n1 ZINC000826282248 1425617759 /nfs/dbraw/zinc/61/77/59/1425617759.db2.gz FSRKRMOURFCSEU-UHFFFAOYSA-N -1 1 394.178 3.037 20 5 GGBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c(-c2nnn[n-]2)c1 ZINC000823640187 1425672068 /nfs/dbraw/zinc/67/20/68/1425672068.db2.gz WUSJQRYDHCWZMB-KSSFIOAISA-N -1 1 398.398 3.007 20 5 GGBDMM O=[N+]([O-])c1c(NCc2ccoc2)cc(NCc2ccoc2)cc1-c1nnn[n-]1 ZINC000823630292 1425766376 /nfs/dbraw/zinc/76/63/76/1425766376.db2.gz WDMZJVWAEJTQEG-UHFFFAOYSA-N -1 1 381.352 3.185 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](c1nccs1)c1ccccc1 ZINC000171713180 1425800522 /nfs/dbraw/zinc/80/05/22/1425800522.db2.gz XWPCLIALBJDNOR-AWEZNQCLSA-N -1 1 393.421 3.258 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccccc1)c1cccnc1 ZINC000171768428 1425815523 /nfs/dbraw/zinc/81/55/23/1425815523.db2.gz VXEFBYYQDOTHTG-KRWDZBQOSA-N -1 1 387.392 3.197 20 5 GGBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000820461535 1425834140 /nfs/dbraw/zinc/83/41/40/1425834140.db2.gz LRYKLFCXKGFDNY-MRVPVSSYSA-N -1 1 379.302 3.362 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)ccc1[N+](=O)[O-] ZINC000172183071 1425937561 /nfs/dbraw/zinc/93/75/61/1425937561.db2.gz OGEMRUTYGQXRFR-UHFFFAOYSA-N -1 1 379.413 3.443 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000172280112 1425978526 /nfs/dbraw/zinc/97/85/26/1425978526.db2.gz BHQYYLJAOAAEOT-QBIMZIAESA-N -1 1 389.433 3.127 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)ccc1[N+](=O)[O-] ZINC000172315842 1425993618 /nfs/dbraw/zinc/99/36/18/1425993618.db2.gz GNUDAOGPCPHZSM-UHFFFAOYSA-N -1 1 376.369 3.029 20 5 GGBDMM Cc1c(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cnn1-c1ccccc1F ZINC000822130742 1426009772 /nfs/dbraw/zinc/00/97/72/1426009772.db2.gz YICJLKNGZSZFRY-UHFFFAOYSA-N -1 1 380.343 3.152 20 5 GGBDMM CCc1cc(C)c(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)o1 ZINC000825700576 1426050435 /nfs/dbraw/zinc/05/04/35/1426050435.db2.gz LAOAFOOIWQPKTF-UHFFFAOYSA-N -1 1 376.760 3.144 20 5 GGBDMM COc1ccc(OC)c([C@H]2CCCN2c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC000821841658 1426104384 /nfs/dbraw/zinc/10/43/84/1426104384.db2.gz LAWHNDIBQTZGPY-MRXNPFEDSA-N -1 1 396.407 3.134 20 5 GGBDMM CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825830529 1426111469 /nfs/dbraw/zinc/11/14/69/1426111469.db2.gz UXPPEOKBOHKURD-UHFFFAOYSA-N -1 1 380.408 3.349 20 5 GGBDMM CC1(C)CCN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3CCC(C)(C)C3)c2)C1 ZINC000820596476 1426119889 /nfs/dbraw/zinc/11/98/89/1426119889.db2.gz PXCHDRKFJWKDAR-UHFFFAOYSA-N -1 1 385.472 3.248 20 5 GGBDMM Cc1c(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cccc1-c1nnn[n-]1 ZINC000822084507 1426222213 /nfs/dbraw/zinc/22/22/13/1426222213.db2.gz LHIFECRVQXODTO-UHFFFAOYSA-N -1 1 393.407 3.280 20 5 GGBDMM C[C@@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000824712557 1426296699 /nfs/dbraw/zinc/29/66/99/1426296699.db2.gz AWKBMMPHVTVVNP-LLVKDONJSA-N -1 1 392.375 3.103 20 5 GGBDMM CC[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820914867 1426451557 /nfs/dbraw/zinc/45/15/57/1426451557.db2.gz QTPKLVXQMSYVFL-MQNTZWLQSA-N -1 1 378.392 3.056 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cc2c(s1)CCC2 ZINC000826450820 1426470777 /nfs/dbraw/zinc/47/07/77/1426470777.db2.gz FISHLHXPQMRMIQ-UHFFFAOYSA-N -1 1 390.812 3.231 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccc(F)c(Cl)c1 ZINC000826450894 1426549741 /nfs/dbraw/zinc/54/97/41/1426549741.db2.gz IAWMCSUDSMFFSV-UHFFFAOYSA-N -1 1 397.153 3.473 20 5 GGBDMM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000824507211 1426574150 /nfs/dbraw/zinc/57/41/50/1426574150.db2.gz VMALRYFORWTTDQ-VIFPVBQESA-N -1 1 387.787 3.311 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCCOC3CCCCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645064 1426611061 /nfs/dbraw/zinc/61/10/61/1426611061.db2.gz NERZLJNLSPRDTE-UHFFFAOYSA-N -1 1 397.439 3.474 20 5 GGBDMM COc1ccc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821821677 1426630325 /nfs/dbraw/zinc/63/03/25/1426630325.db2.gz QOHFDBRXCKDKNO-UHFFFAOYSA-N -1 1 394.313 3.414 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](c1ccccc1)C1CCOCC1 ZINC000738357657 1426635564 /nfs/dbraw/zinc/63/55/64/1426635564.db2.gz HQYGKCKIDVECPS-SFHVURJKSA-N -1 1 380.408 3.355 20 5 GGBDMM CCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502494 1426830840 /nfs/dbraw/zinc/83/08/40/1426830840.db2.gz NMDMTSCZJSHGOF-LBPRGKRZSA-N -1 1 398.448 3.309 20 5 GGBDMM O=[N+]([O-])c1ccc(CCNc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)cc1 ZINC000738361705 1426940378 /nfs/dbraw/zinc/94/03/78/1426940378.db2.gz YWWOLKKZAHRFJP-UHFFFAOYSA-N -1 1 378.314 3.448 20 5 GGBDMM CC(=O)c1ccc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000735495520 1426995764 /nfs/dbraw/zinc/99/57/64/1426995764.db2.gz JGBHOXGODBKEHS-UHFFFAOYSA-N -1 1 378.392 3.147 20 5 GGBDMM CSc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1[N+](=O)[O-] ZINC000826230335 1427106742 /nfs/dbraw/zinc/10/67/42/1427106742.db2.gz ODUGCKZGVLEAAV-UHFFFAOYSA-N -1 1 385.405 3.162 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(Cc1ccccc1)CC1(O)CCCC1 ZINC000823629926 1427112242 /nfs/dbraw/zinc/11/22/42/1427112242.db2.gz MFTRPJSZYTWTMR-UHFFFAOYSA-N -1 1 394.435 3.087 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000738360318 1427114650 /nfs/dbraw/zinc/11/46/50/1427114650.db2.gz OKVWOVHCAZXODE-UHFFFAOYSA-N -1 1 399.754 3.057 20 5 GGBDMM O=C(COc1ccc([N+](=O)[O-])c2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000823040546 1427253700 /nfs/dbraw/zinc/25/37/00/1427253700.db2.gz NJSCJPDGMUVDLV-UHFFFAOYSA-N -1 1 375.344 3.190 20 5 GGBDMM Cc1nnc(SCc2cc([N+](=O)[O-])ccc2Cl)c(-c2nnn[n-]2)c1C ZINC000826337689 1427294539 /nfs/dbraw/zinc/29/45/39/1427294539.db2.gz XNDNMBQWUONXNO-UHFFFAOYSA-N -1 1 377.817 3.127 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1Br ZINC000174665583 1427297081 /nfs/dbraw/zinc/29/70/81/1427297081.db2.gz OHGOGTRMQXRTGZ-UHFFFAOYSA-N -1 1 386.227 3.049 20 5 GGBDMM C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824625338 1427383880 /nfs/dbraw/zinc/38/38/80/1427383880.db2.gz GBSUIMVHEIPWTM-GFCCVEGCSA-N -1 1 391.391 3.281 20 5 GGBDMM O=[N+]([O-])c1sccc1NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826501032 1427426101 /nfs/dbraw/zinc/42/61/01/1427426101.db2.gz WPECEJNZCMTJMJ-UHFFFAOYSA-N -1 1 387.425 3.034 20 5 GGBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)ccc1F ZINC000174996370 1427485885 /nfs/dbraw/zinc/48/58/85/1427485885.db2.gz AHZJBTDXELORSF-UHFFFAOYSA-N -1 1 381.385 3.110 20 5 GGBDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1C ZINC000174997742 1427487066 /nfs/dbraw/zinc/48/70/66/1427487066.db2.gz DKHLSZAROHJPNB-UHFFFAOYSA-N -1 1 377.422 3.279 20 5 GGBDMM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000736190032 1427490889 /nfs/dbraw/zinc/49/08/89/1427490889.db2.gz DZFDQSJWIMYEJE-SECBINFHSA-N -1 1 388.384 3.033 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)c(CNc2c(-c3nnn[n-]3)cnc3ccccc32)c1 ZINC000823639822 1427665524 /nfs/dbraw/zinc/66/55/24/1427665524.db2.gz HWSFVNXZXBGCMK-UHFFFAOYSA-N -1 1 381.783 3.011 20 5 GGBDMM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737946192 1427684296 /nfs/dbraw/zinc/68/42/96/1427684296.db2.gz BMLHZPUORDHIHB-UHFFFAOYSA-N -1 1 390.812 3.159 20 5 GGBDMM CCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376131 1427831492 /nfs/dbraw/zinc/83/14/92/1427831492.db2.gz CGILICZTOUJWOS-CQSZACIVSA-N -1 1 394.435 3.236 20 5 GGBDMM C[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824625340 1427859129 /nfs/dbraw/zinc/85/91/29/1427859129.db2.gz GBSUIMVHEIPWTM-LBPRGKRZSA-N -1 1 391.391 3.281 20 5 GGBDMM CC(C)(C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccs1 ZINC000824065015 1427906225 /nfs/dbraw/zinc/90/62/25/1427906225.db2.gz RVSSSVXSZUOSOK-UHFFFAOYSA-N -1 1 392.828 3.406 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000826293489 1428115220 /nfs/dbraw/zinc/11/52/20/1428115220.db2.gz QUSFMMOVQUQFHA-GFCCVEGCSA-N -1 1 399.432 3.480 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000738360431 1429807972 /nfs/dbraw/zinc/80/79/72/1429807972.db2.gz WRPDQANDMGLZNL-UHFFFAOYSA-N -1 1 386.362 3.437 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCCc3ccc(F)cc3)cc(-c3nnn[n-]3)c2c1 ZINC000738367511 1429813050 /nfs/dbraw/zinc/81/30/50/1429813050.db2.gz UBNIIGCAHWCOIZ-UHFFFAOYSA-N -1 1 379.355 3.117 20 5 GGBDMM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(-n2ccnc2)c1 ZINC000820461894 1429824565 /nfs/dbraw/zinc/82/45/65/1429824565.db2.gz SLDDFBHRWFMADK-GFCCVEGCSA-N -1 1 376.380 3.134 20 5 GGBDMM COc1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cc1F ZINC000737094896 1429904745 /nfs/dbraw/zinc/90/47/45/1429904745.db2.gz CMFXKXQFWHREAN-UHFFFAOYSA-N -1 1 395.354 3.083 20 5 GGBDMM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000820481519 1429930509 /nfs/dbraw/zinc/93/05/09/1429930509.db2.gz WXRGAASERRXSQI-LBPRGKRZSA-N -1 1 397.391 3.237 20 5 GGBDMM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000821109211 1429997559 /nfs/dbraw/zinc/99/75/59/1429997559.db2.gz CPNHMCMIIBPQBS-UHFFFAOYSA-N -1 1 380.408 3.394 20 5 GGBDMM Cc1nn(-c2ccccc2)c(COc2ccc(C)c([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000826292083 1430020902 /nfs/dbraw/zinc/02/09/02/1430020902.db2.gz HJUCFCVNFGWQRJ-UHFFFAOYSA-N -1 1 391.391 3.156 20 5 GGBDMM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000180879482 1430084550 /nfs/dbraw/zinc/08/45/50/1430084550.db2.gz VIHWVSJFPGWDAV-UHFFFAOYSA-N -1 1 375.747 3.349 20 5 GGBDMM COc1ccc(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1[N+](=O)[O-] ZINC000826203306 1430124614 /nfs/dbraw/zinc/12/46/14/1430124614.db2.gz ISFZNYSQYQAMSV-UHFFFAOYSA-N -1 1 384.396 3.183 20 5 GGBDMM O=[N+]([O-])c1ccccc1CNc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826500942 1430168206 /nfs/dbraw/zinc/16/82/06/1430168206.db2.gz SHWRBFHYHFBGPT-UHFFFAOYSA-N -1 1 396.798 3.226 20 5 GGBDMM CC(C)Oc1ccc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000820160655 1430178810 /nfs/dbraw/zinc/17/88/10/1430178810.db2.gz OWPVVQCQBSMERV-BJMVGYQFSA-N -1 1 394.391 3.214 20 5 GGBDMM Cc1cc(F)cc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000822203162 1430235103 /nfs/dbraw/zinc/23/51/03/1430235103.db2.gz HMTRJVKEISAQJM-UHFFFAOYSA-N -1 1 376.735 3.128 20 5 GGBDMM O=[N+]([O-])c1cnc(N[C@@H]2CC=C(c3ccc(F)cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000826501052 1430239386 /nfs/dbraw/zinc/23/93/86/1430239386.db2.gz XLXDLTRUIHCYPO-CQSZACIVSA-N -1 1 381.371 3.357 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1(c2ccccc2)CC1 ZINC000826450480 1430241604 /nfs/dbraw/zinc/24/16/04/1430241604.db2.gz OEJQNFGOXLZQCY-UHFFFAOYSA-N -1 1 384.783 3.099 20 5 GGBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCC(=O)N2 ZINC000182361208 1430453479 /nfs/dbraw/zinc/45/34/79/1430453479.db2.gz IVXRFCWNOLKHTN-UHFFFAOYSA-N -1 1 393.396 3.118 20 5 GGBDMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)ccc2[nH]1 ZINC000182499000 1430478656 /nfs/dbraw/zinc/47/86/56/1430478656.db2.gz SLCRBPPEIRMICP-UHFFFAOYSA-N -1 1 387.417 3.108 20 5 GGBDMM CC(C)OCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000182640552 1430507731 /nfs/dbraw/zinc/50/77/31/1430507731.db2.gz DLSNNWQXSMNSBX-UHFFFAOYSA-N -1 1 379.438 3.233 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@@H]1CCCOCC1 ZINC000182993665 1430587702 /nfs/dbraw/zinc/58/77/02/1430587702.db2.gz BSXIPVSJVWDVCX-CQSZACIVSA-N -1 1 391.449 3.377 20 5 GGBDMM CN(C)[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000183894579 1430809758 /nfs/dbraw/zinc/80/97/58/1430809758.db2.gz ZCDOHSYMFCKREQ-OAHLLOKOSA-N -1 1 397.353 3.352 20 5 GGBDMM CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cccc(C(F)(F)F)c1 ZINC000183898390 1430810357 /nfs/dbraw/zinc/81/03/57/1430810357.db2.gz DQSQWGLCAABDTL-OAHLLOKOSA-N -1 1 397.353 3.352 20 5 GGBDMM CC(C)COC[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000184383808 1430881267 /nfs/dbraw/zinc/88/12/67/1430881267.db2.gz UZYZCMSONLBDPO-HNNXBMFYSA-N -1 1 382.438 3.021 20 5 GGBDMM Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184512846 1430897011 /nfs/dbraw/zinc/89/70/11/1430897011.db2.gz MXTZALPNVYGDLZ-UHFFFAOYSA-N -1 1 387.461 3.410 20 5 GGBDMM C/C=C/C[C@@H](CO)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000184807036 1430983892 /nfs/dbraw/zinc/98/38/92/1430983892.db2.gz USQRBNDIEPDDIN-FAAWYNLUSA-N -1 1 391.449 3.135 20 5 GGBDMM CCOc1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc(Cl)c1[O-] ZINC000186966316 1431578656 /nfs/dbraw/zinc/57/86/56/1431578656.db2.gz PHLCIDUCYQKTCC-UHFFFAOYSA-N -1 1 376.756 3.481 20 5 GGBDMM Cc1sc(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000187121921 1431622346 /nfs/dbraw/zinc/62/23/46/1431622346.db2.gz UGBCHXDVGWUFCR-UHFFFAOYSA-N -1 1 384.417 3.100 20 5 GGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(OCC2CC2)c(F)c1 ZINC000187188394 1431641403 /nfs/dbraw/zinc/64/14/03/1431641403.db2.gz YLBHXHHHZQHCHD-JTQLQIEISA-N -1 1 375.356 3.114 20 5 GGBDMM O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188389370 1431880116 /nfs/dbraw/zinc/88/01/16/1431880116.db2.gz YZBQGEMJEHLUNI-UHFFFAOYSA-N -1 1 389.371 3.169 20 5 GGBDMM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000189257339 1432072572 /nfs/dbraw/zinc/07/25/72/1432072572.db2.gz NRZRGPHXEPRVKV-UHFFFAOYSA-N -1 1 397.840 3.025 20 5 GGBDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)cc1 ZINC000191565293 1432684247 /nfs/dbraw/zinc/68/42/47/1432684247.db2.gz YWLRQTBVCPTPRI-UHFFFAOYSA-N -1 1 377.422 3.361 20 5 GGBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)ccc1F ZINC000191567012 1432684633 /nfs/dbraw/zinc/68/46/33/1432684633.db2.gz NPAWLPBSCNKRSL-UHFFFAOYSA-N -1 1 381.385 3.110 20 5 GGBDMM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)ccc1C(=O)N(C)C ZINC000191797050 1432727404 /nfs/dbraw/zinc/72/74/04/1432727404.db2.gz TZARRRUDWMYRKZ-UHFFFAOYSA-N -1 1 391.449 3.023 20 5 GGBDMM O=C(N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193383988 1432988572 /nfs/dbraw/zinc/98/85/72/1432988572.db2.gz NTVGLXVHEMGHMB-SFHVURJKSA-N -1 1 389.371 3.091 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000193751870 1433052082 /nfs/dbraw/zinc/05/20/82/1433052082.db2.gz FBONIEDKBCIQAK-LBPRGKRZSA-N -1 1 391.811 3.280 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000194057766 1433109638 /nfs/dbraw/zinc/10/96/38/1433109638.db2.gz ONZCLOUKROPWGQ-MRXNPFEDSA-N -1 1 393.403 3.453 20 5 GGBDMM Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cnn1C1CCCC1 ZINC000194220373 1433141622 /nfs/dbraw/zinc/14/16/22/1433141622.db2.gz SHVMPQXBMBITOA-UHFFFAOYSA-N -1 1 380.426 3.030 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(OC(F)(F)F)cc1 ZINC000194338826 1433163859 /nfs/dbraw/zinc/16/38/59/1433163859.db2.gz WWZRSTPPQXEZIP-UHFFFAOYSA-N -1 1 394.302 3.111 20 5 GGBDMM CCCOCc1ccccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194348832 1433165031 /nfs/dbraw/zinc/16/50/31/1433165031.db2.gz PPVJWGCCENZYDV-UHFFFAOYSA-N -1 1 382.413 3.139 20 5 GGBDMM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194621078 1433206595 /nfs/dbraw/zinc/20/65/95/1433206595.db2.gz ZVZVJWGIHRXWEV-UHFFFAOYSA-N -1 1 393.490 3.257 20 5 GGBDMM CC(C)(C)[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000194633651 1433208600 /nfs/dbraw/zinc/20/86/00/1433208600.db2.gz YWMPQZVWHUVLFP-VWLOTQADSA-N -1 1 396.490 3.443 20 5 GGBDMM COc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000195233308 1433310120 /nfs/dbraw/zinc/31/01/20/1433310120.db2.gz GHFDGVRXWQLEKG-LBPRGKRZSA-N -1 1 382.413 3.042 20 5 GGBDMM CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000247818047 1433752587 /nfs/dbraw/zinc/75/25/87/1433752587.db2.gz FHAKLSKDLWRNJK-UHFFFAOYSA-N -1 1 398.345 3.220 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@H]1CC[C@H](O)CC1 ZINC000269894585 1434684890 /nfs/dbraw/zinc/68/48/90/1434684890.db2.gz XMAFRNHBFRWMLE-CTYIDZIISA-N -1 1 391.449 3.111 20 5 GGBDMM CSc1nc(C)c(CCC(=O)OCc2ccc([N+](=O)[O-])c(C)c2)c(=O)[n-]1 ZINC000272662139 1434920812 /nfs/dbraw/zinc/92/08/12/1434920812.db2.gz HDTGVCCNNCULHS-UHFFFAOYSA-N -1 1 377.422 3.105 20 5 GGBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cccc(OC[C@@H]3CCCO3)c2)s1 ZINC000272851796 1434936151 /nfs/dbraw/zinc/93/61/51/1434936151.db2.gz OUYDSGBXJOHMDB-ZDUSSCGKSA-N -1 1 398.462 3.361 20 5 GGBDMM CCSCc1cc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)no1 ZINC000274549662 1435077928 /nfs/dbraw/zinc/07/79/28/1435077928.db2.gz WCSUHRULMBEAMW-UHFFFAOYSA-N -1 1 379.394 3.250 20 5 GGBDMM O=C([N-]CC1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1)C(F)(F)F ZINC000281903330 1435826126 /nfs/dbraw/zinc/82/61/26/1435826126.db2.gz PKFWIHVDMPDEPF-UHFFFAOYSA-N -1 1 397.300 3.091 20 5 GGBDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000283081602 1435873630 /nfs/dbraw/zinc/87/36/30/1435873630.db2.gz URQDKVXOXMHRQS-UHFFFAOYSA-N -1 1 394.449 3.257 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCc3cc4ccccc4[nH]3)cc(-c3nnn[n-]3)c2c1 ZINC000823645577 1441423615 /nfs/dbraw/zinc/42/36/15/1441423615.db2.gz UEJRWZYQTINRFK-UHFFFAOYSA-N -1 1 386.375 3.417 20 5 GGBDMM CC(=CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000823944195 1441480732 /nfs/dbraw/zinc/48/07/32/1441480732.db2.gz ZTYAMXIXUFYDDP-KTKRTIGZSA-N -1 1 396.432 3.367 20 5 GGBDMM CSc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737193875 1441510661 /nfs/dbraw/zinc/51/06/61/1441510661.db2.gz YNVHYBZORZENBX-JTQLQIEISA-N -1 1 385.405 3.415 20 5 GGBDMM COc1ccc(CSCc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737096591 1441531094 /nfs/dbraw/zinc/53/10/94/1441531094.db2.gz CVDIUQZPTYADBK-UHFFFAOYSA-N -1 1 375.385 3.356 20 5 GGBDMM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823422536 1441551216 /nfs/dbraw/zinc/55/12/16/1441551216.db2.gz VNVFDDYLWFNURQ-UHFFFAOYSA-N -1 1 395.709 3.064 20 5 GGBDMM Cc1ccc2[nH]c([C@H]3CCCN3c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)nc2c1 ZINC000822271010 1441620156 /nfs/dbraw/zinc/62/01/56/1441620156.db2.gz IKEMEYQJZAIAIM-QGZVFWFLSA-N -1 1 390.407 3.301 20 5 GGBDMM Cc1ccc2nc([C@H]3CCCN3c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)[nH]c2c1 ZINC000822271010 1441620159 /nfs/dbraw/zinc/62/01/59/1441620159.db2.gz IKEMEYQJZAIAIM-QGZVFWFLSA-N -1 1 390.407 3.301 20 5 GGBDMM Cc1ccc2nc([C@H]3CCCN3c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)[nH]c2c1 ZINC000822271010 1441620162 /nfs/dbraw/zinc/62/01/62/1441620162.db2.gz IKEMEYQJZAIAIM-QGZVFWFLSA-N -1 1 390.407 3.301 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NC[C@H]3CCc4ccccc43)cc(-c3nnn[n-]3)c2c1 ZINC000823645911 1441625838 /nfs/dbraw/zinc/62/58/38/1441625838.db2.gz VRSBHNUEBZQLEK-CYBMUJFWSA-N -1 1 387.403 3.465 20 5 GGBDMM CCc1c(C)sc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000736675796 1441632974 /nfs/dbraw/zinc/63/29/74/1441632974.db2.gz NOZMUBAYQYUMDY-UHFFFAOYSA-N -1 1 394.363 3.238 20 5 GGBDMM C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508281 1441666631 /nfs/dbraw/zinc/66/66/31/1441666631.db2.gz NUJVVJKHULKVKD-SNVBAGLBSA-N -1 1 379.332 3.439 20 5 GGBDMM CC(C)c1nc([C@H]2CCCCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])no1 ZINC000824358236 1441787318 /nfs/dbraw/zinc/78/73/18/1441787318.db2.gz CYAOKRWLELCLDZ-CQSZACIVSA-N -1 1 398.427 3.403 20 5 GGBDMM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccs1 ZINC000824046176 1441890182 /nfs/dbraw/zinc/89/01/82/1441890182.db2.gz QCVOPQIVEAEDNW-ZETCQYMHSA-N -1 1 378.801 3.232 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H](O)c1ccc2ccccc2c1 ZINC000738358415 1442062308 /nfs/dbraw/zinc/06/23/08/1442062308.db2.gz MBTCFFYTWGZFEI-GOSISDBHSA-N -1 1 376.376 3.074 20 5 GGBDMM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000826173111 1442128955 /nfs/dbraw/zinc/12/89/55/1442128955.db2.gz NNSPZJGTKDNQSZ-UHFFFAOYSA-N -1 1 395.297 3.381 20 5 GGBDMM Cc1ccccc1[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H](C)CO1 ZINC000822351116 1442212696 /nfs/dbraw/zinc/21/26/96/1442212696.db2.gz KQGNJTHEBUOQEX-ACJLOTCBSA-N -1 1 380.408 3.050 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)c(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826497396 1442287233 /nfs/dbraw/zinc/28/72/33/1442287233.db2.gz FZLYXVPJESFBRN-CYBMUJFWSA-N -1 1 396.190 3.194 20 5 GGBDMM Cc1nccn1-c1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000822477506 1442364181 /nfs/dbraw/zinc/36/41/81/1442364181.db2.gz MESQYFGKYMEPGM-LBPRGKRZSA-N -1 1 390.407 3.442 20 5 GGBDMM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cncc2ccccc21 ZINC000826450816 1442374771 /nfs/dbraw/zinc/37/47/71/1442374771.db2.gz FFJHDAKDHWPMJM-UHFFFAOYSA-N -1 1 395.766 3.229 20 5 GGBDMM O=[N+]([O-])c1cccc(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)c1 ZINC000738366068 1443094843 /nfs/dbraw/zinc/09/48/43/1443094843.db2.gz BBAHQSSXFSNBBE-UHFFFAOYSA-N -1 1 383.318 3.213 20 5 GGBDMM O=[N+]([O-])c1cnc(Sc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000823651686 1443117487 /nfs/dbraw/zinc/11/74/87/1443117487.db2.gz NMGBEUVTPIXMOE-UHFFFAOYSA-N -1 1 379.199 3.084 20 5 GGBDMM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cccc2ncccc21 ZINC000826450797 1443122950 /nfs/dbraw/zinc/12/29/50/1443122950.db2.gz DQASYNVPABCSFM-UHFFFAOYSA-N -1 1 395.766 3.229 20 5 GGBDMM O=[N+]([O-])c1ccc(N2CC[C@H](OCCCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823639546 1443171304 /nfs/dbraw/zinc/17/13/04/1443171304.db2.gz DBJFBJJLAGUVJA-KRWDZBQOSA-N -1 1 394.435 3.003 20 5 GGBDMM Cc1sc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(-c2nn[n-]n2)c1C ZINC000737561534 1443338966 /nfs/dbraw/zinc/33/89/66/1443338966.db2.gz FOUMCOLZHMDXAQ-UHFFFAOYSA-N -1 1 378.801 3.359 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000826293609 1443357223 /nfs/dbraw/zinc/35/72/23/1443357223.db2.gz VYTZUXPGLHCYAY-STQMWFEESA-N -1 1 397.391 3.155 20 5 GGBDMM O=[N+]([O-])c1cnc(NCCCO[C@H]2CCCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738373391 1443447451 /nfs/dbraw/zinc/44/74/51/1443447451.db2.gz BQVWLUHWGBRONN-KRWDZBQOSA-N -1 1 395.423 3.066 20 5 GGBDMM COc1ccc([N+](=O)[O-])cc1CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737116851 1443460165 /nfs/dbraw/zinc/46/01/65/1443460165.db2.gz SCDKRQQKSJTVEV-UHFFFAOYSA-N -1 1 375.385 3.356 20 5 GGBDMM O=[N+]([O-])c1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)cc1OC(F)F ZINC000823640115 1443490654 /nfs/dbraw/zinc/49/06/54/1443490654.db2.gz TVPJBYIRZJKNGP-UHFFFAOYSA-N -1 1 380.286 3.128 20 5 GGBDMM O=[N+]([O-])c1ccc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)s1 ZINC000826499156 1443562220 /nfs/dbraw/zinc/56/22/20/1443562220.db2.gz XTOJWQJKUONNLY-UHFFFAOYSA-N -1 1 387.425 3.034 20 5 GGBDMM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826277663 1443576929 /nfs/dbraw/zinc/57/69/29/1443576929.db2.gz CGZYZPBVRGHQGW-UHFFFAOYSA-N -1 1 393.407 3.280 20 5 GGBDMM Cc1ccc(CCC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826287190 1443604852 /nfs/dbraw/zinc/60/48/52/1443604852.db2.gz GQKNDLKOLPPHCX-UHFFFAOYSA-N -1 1 386.799 3.308 20 5 GGBDMM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c(F)cc1F ZINC000826260326 1443645190 /nfs/dbraw/zinc/64/51/90/1443645190.db2.gz ITDDTBVTBDWULK-UHFFFAOYSA-N -1 1 394.725 3.267 20 5 GGBDMM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000822505698 1443708819 /nfs/dbraw/zinc/70/88/19/1443708819.db2.gz RMSWPXWWAARXFX-UHFFFAOYSA-N -1 1 396.798 3.044 20 5 GGBDMM COc1cc(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)ccc1[N+](=O)[O-] ZINC000826179179 1443715332 /nfs/dbraw/zinc/71/53/32/1443715332.db2.gz CMVCVZOWEFYXDW-UHFFFAOYSA-N -1 1 392.419 3.073 20 5 GGBDMM CC[C@@H](C)Oc1cc(C)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820875691 1443730380 /nfs/dbraw/zinc/73/03/80/1443730380.db2.gz CMQCHHHYWMHWRF-GFCCVEGCSA-N -1 1 383.412 3.268 20 5 GGBDMM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccc(F)c1 ZINC000824045419 1443754686 /nfs/dbraw/zinc/75/46/86/1443754686.db2.gz MNMCYWHWCGEYQS-QMMMGPOBSA-N -1 1 390.762 3.310 20 5 GGBDMM O=C(C=Cc1cccs1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826403212 1443758791 /nfs/dbraw/zinc/75/87/91/1443758791.db2.gz MNRLLDCMRNTWRW-ARJAWSKDSA-N -1 1 376.785 3.142 20 5 GGBDMM O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2C1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826483284 1443775705 /nfs/dbraw/zinc/77/57/05/1443775705.db2.gz IADZWPBBUXKYNP-OQFOIZHKSA-N -1 1 386.730 3.060 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC=C(c2cccc3ccccc32)C1 ZINC000826496746 1443777783 /nfs/dbraw/zinc/77/77/83/1443777783.db2.gz HTYRMKISHXOWBC-UHFFFAOYSA-N -1 1 385.387 3.227 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2noc(CSc3ccc(-c4nn[n-]n4)cc3F)n2)c1 ZINC000738367287 1443800243 /nfs/dbraw/zinc/80/02/43/1443800243.db2.gz PLYZUJYBFKUXSJ-UHFFFAOYSA-N -1 1 399.367 3.256 20 5 GGBDMM COc1cccc([C@@H]2C[C@@H](C)CN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000826215768 1443813639 /nfs/dbraw/zinc/81/36/39/1443813639.db2.gz YNLCMIXSEFCDEA-PXAZEXFGSA-N -1 1 380.408 3.371 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826497456 1443829513 /nfs/dbraw/zinc/82/95/13/1443829513.db2.gz HTQUPOHXCPJZHG-GUYCJALGSA-N -1 1 380.408 3.355 20 5 GGBDMM C[C@H]1CCc2c(sc(NC(=O)Cc3cccc([N+](=O)[O-])c3)c2-c2nnn[n-]2)C1 ZINC000736278614 1443865721 /nfs/dbraw/zinc/86/57/21/1443865721.db2.gz IBLXTOLBKSRYSE-JTQLQIEISA-N -1 1 398.448 3.142 20 5 GGBDMM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826465395 1443892147 /nfs/dbraw/zinc/89/21/47/1443892147.db2.gz LOMNQUGDNLCRSG-UHFFFAOYSA-N -1 1 394.174 3.439 20 5 GGBDMM CCOc1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000821422342 1443904360 /nfs/dbraw/zinc/90/43/60/1443904360.db2.gz UVOPQHRTYVYSCH-UHFFFAOYSA-N -1 1 391.391 3.334 20 5 GGBDMM CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821153496 1443908662 /nfs/dbraw/zinc/90/86/62/1443908662.db2.gz DIGSTBAKLKPASD-AWEZNQCLSA-N -1 1 394.435 3.317 20 5 GGBDMM CC[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820921006 1443930580 /nfs/dbraw/zinc/93/05/80/1443930580.db2.gz UTLUDFMZLBIRGA-AWEZNQCLSA-N -1 1 385.359 3.187 20 5 GGBDMM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000823303521 1443939961 /nfs/dbraw/zinc/93/99/61/1443939961.db2.gz LHBOOBJPDTVWEJ-UHFFFAOYSA-N -1 1 378.270 3.046 20 5 GGBDMM CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821230545 1443945849 /nfs/dbraw/zinc/94/58/49/1443945849.db2.gz NADAFGMLJACLJW-LBPRGKRZSA-N -1 1 393.407 3.499 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000823620011 1443970414 /nfs/dbraw/zinc/97/04/14/1443970414.db2.gz GHXUPSXYHIEYKT-JQWIXIFHSA-N -1 1 391.313 3.157 20 5 GGBDMM CSc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826230774 1443979757 /nfs/dbraw/zinc/97/97/57/1443979757.db2.gz JQHMEOPQQAGTLW-UHFFFAOYSA-N -1 1 385.405 3.162 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cc2ccccc2o1 ZINC000826451227 1443983991 /nfs/dbraw/zinc/98/39/91/1443983991.db2.gz WMZBNEMOYLNNHV-UHFFFAOYSA-N -1 1 384.739 3.427 20 5 GGBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825674047 1444037509 /nfs/dbraw/zinc/03/75/09/1444037509.db2.gz GSZRFTLPFYVPRG-LLVKDONJSA-N -1 1 398.448 3.378 20 5 GGBDMM CC(C)(C)c1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000819959043 1446086220 /nfs/dbraw/zinc/08/62/20/1446086220.db2.gz WCNSMIYOFLNCMJ-UHFFFAOYSA-N -1 1 384.371 3.464 20 5 GGBDMM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000824505736 1446091001 /nfs/dbraw/zinc/09/10/01/1446091001.db2.gz HSGRIVGEYOOMAG-LLVKDONJSA-N -1 1 398.427 3.214 20 5 GGBDMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3CC[C@H](C)[C@H]3C)c2)[C@@H]1C ZINC000820728835 1446162146 /nfs/dbraw/zinc/16/21/46/1446162146.db2.gz ZDBFGEKMFQHTGN-XJFOESAGSA-N -1 1 385.472 3.244 20 5 GGBDMM Cc1ccc(C(=O)C2CCN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)CC2)cc1 ZINC000822225149 1446225171 /nfs/dbraw/zinc/22/51/71/1446225171.db2.gz QHKPFFDWTHCYKG-UHFFFAOYSA-N -1 1 392.419 3.183 20 5 GGBDMM Cc1ccc([C@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822230383 1446226763 /nfs/dbraw/zinc/22/67/63/1446226763.db2.gz FAXJXQAPHLUKIJ-XPSMFNQNSA-N -1 1 379.376 3.401 20 5 GGBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822213141 1446314231 /nfs/dbraw/zinc/31/42/31/1446314231.db2.gz WJYPCOLRUMAAHG-UHFFFAOYSA-N -1 1 382.380 3.123 20 5 GGBDMM CC(C)CCOc1ccccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820076380 1446331837 /nfs/dbraw/zinc/33/18/37/1446331837.db2.gz JGCDQTFBQMPKLE-UHFFFAOYSA-N -1 1 383.412 3.207 20 5 GGBDMM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000735662791 1446400209 /nfs/dbraw/zinc/40/02/09/1446400209.db2.gz XKIZEXPWDABMAN-UHFFFAOYSA-N -1 1 389.803 3.237 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2nc(-c3nc4ccc(-c5nnn[n-]5)cc4[nH]3)cs2)c1 ZINC000826499740 1446475584 /nfs/dbraw/zinc/47/55/84/1446475584.db2.gz VKWWDKDNNMNEAB-UHFFFAOYSA-N -1 1 390.388 3.442 20 5 GGBDMM O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000737920251 1446501377 /nfs/dbraw/zinc/50/13/77/1446501377.db2.gz PANQYDZJKYJVJM-UHFFFAOYSA-N -1 1 393.281 3.055 20 5 GGBDMM Cc1cc(F)cc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826268059 1446509940 /nfs/dbraw/zinc/50/99/40/1446509940.db2.gz IFQWRGZJWPSZHN-UHFFFAOYSA-N -1 1 376.735 3.128 20 5 GGBDMM CC[C@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825134659 1446569797 /nfs/dbraw/zinc/56/97/97/1446569797.db2.gz WJDGNLYVOUAUGS-HNNXBMFYSA-N -1 1 386.799 3.309 20 5 GGBDMM CC[C@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820921344 1446648565 /nfs/dbraw/zinc/64/85/65/1446648565.db2.gz YKTGHFHPPBGCOJ-PXAZEXFGSA-N -1 1 395.423 3.286 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826293745 1446694078 /nfs/dbraw/zinc/69/40/78/1446694078.db2.gz ZVASQXNOTAVQMY-KUHUBIRLSA-N -1 1 394.435 3.218 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N[C@H]3C[C@H]3Cc3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000823644737 1446776322 /nfs/dbraw/zinc/77/63/22/1446776322.db2.gz LFZVANPHLTZWJW-ACJLOTCBSA-N -1 1 387.403 3.366 20 5 GGBDMM COc1ccc(C(C)(C)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1OC ZINC000737072135 1446876100 /nfs/dbraw/zinc/87/61/00/1446876100.db2.gz JTWKOMKYXVVSSF-UHFFFAOYSA-N -1 1 398.423 3.182 20 5 GGBDMM CCO[C@@H](CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000821351104 1446909002 /nfs/dbraw/zinc/90/90/02/1446909002.db2.gz KZMYAOYINRSOAH-INIZCTEOSA-N -1 1 385.428 3.186 20 5 GGBDMM C[C@@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736157419 1446964303 /nfs/dbraw/zinc/96/43/03/1446964303.db2.gz CESKMJAFYSSCNC-GFCCVEGCSA-N -1 1 392.375 3.034 20 5 GGBDMM COCc1cccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000821695802 1446975437 /nfs/dbraw/zinc/97/54/37/1446975437.db2.gz IXEOPHZGPAALFI-UHFFFAOYSA-N -1 1 391.391 3.082 20 5 GGBDMM O=[N+]([O-])c1ccc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c(F)c1 ZINC000826498935 1446995828 /nfs/dbraw/zinc/99/58/28/1446995828.db2.gz PBIYDJANHFNXPA-UHFFFAOYSA-N -1 1 399.386 3.111 20 5 GGBDMM O=[N+]([O-])c1ccc(NCc2ccc(Br)cc2)c(-c2nnn[n-]2)c1 ZINC000738368198 1447005026 /nfs/dbraw/zinc/00/50/26/1447005026.db2.gz AODUJBVCNUVVOH-UHFFFAOYSA-N -1 1 375.186 3.150 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccc(Cl)s1 ZINC000826450740 1447006551 /nfs/dbraw/zinc/00/65/51/1447006551.db2.gz BMCZHFXKMZKJAF-UHFFFAOYSA-N -1 1 385.192 3.396 20 5 GGBDMM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823303826 1447057251 /nfs/dbraw/zinc/05/72/51/1447057251.db2.gz WQURVTBXVCKCBM-UHFFFAOYSA-N -1 1 378.270 3.046 20 5 GGBDMM Cc1cc(C)c([N+](=O)[O-])c(Oc2ccc(Br)cc2-c2nnn[n-]2)n1 ZINC000826263605 1447115758 /nfs/dbraw/zinc/11/57/58/1447115758.db2.gz JLVAAVUQYFFVKI-UHFFFAOYSA-N -1 1 391.185 3.342 20 5 GGBDMM CC(=CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823943380 1447267993 /nfs/dbraw/zinc/26/79/93/1447267993.db2.gz PHMJEFZXLCCLAI-XZHRJIJLSA-N -1 1 378.392 3.056 20 5 GGBDMM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000735832302 1447281900 /nfs/dbraw/zinc/28/19/00/1447281900.db2.gz ZEXWIOXFHPIUFY-UHFFFAOYSA-N -1 1 398.398 3.212 20 5 GGBDMM Cc1ccc([C@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822229692 1449058522 /nfs/dbraw/zinc/05/85/22/1449058522.db2.gz ZOBOCNOBMDNBMQ-JTQLQIEISA-N -1 1 385.359 3.105 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1cccc(Oc2ccccn2)c1 ZINC000823630008 1449252434 /nfs/dbraw/zinc/25/24/34/1449252434.db2.gz PILLUKYZNJTSAC-UHFFFAOYSA-N -1 1 377.320 3.150 20 5 GGBDMM O=[N+]([O-])c1ccc(COc2ccc(Br)cc2-c2nnn[n-]2)c(F)c1 ZINC000823640090 1449254188 /nfs/dbraw/zinc/25/41/88/1449254188.db2.gz RWAJBEJXFILYLY-UHFFFAOYSA-N -1 1 394.160 3.256 20 5 GGBDMM CCS[C@H]1CCC[C@@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821456950 1449360628 /nfs/dbraw/zinc/36/06/28/1449360628.db2.gz SZGKNSKDIUIENC-GJZGRUSLSA-N -1 1 385.453 3.409 20 5 GGBDMM CCOc1cccc2cc([C@@H](C)Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)oc21 ZINC000821431574 1449383450 /nfs/dbraw/zinc/38/34/50/1449383450.db2.gz WGHKZSHGGCLHQX-SNVBAGLBSA-N -1 1 395.379 3.488 20 5 GGBDMM CCO[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C12CCC2 ZINC000821358027 1449543142 /nfs/dbraw/zinc/54/31/42/1449543142.db2.gz GUHIZDIGUIUMTC-JKSUJKDBSA-N -1 1 395.423 3.083 20 5 GGBDMM CCOc1ccc(C2=CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cc1 ZINC000825638897 1449554810 /nfs/dbraw/zinc/55/48/10/1449554810.db2.gz QSLDNFXXISFLDV-UHFFFAOYSA-N -1 1 392.419 3.467 20 5 GGBDMM COc1ccc(C[C@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)cc1 ZINC000821790802 1449576077 /nfs/dbraw/zinc/57/60/77/1449576077.db2.gz URBQRSQQWHVXDD-OAHLLOKOSA-N -1 1 394.435 3.243 20 5 GGBDMM O=C(Cc1ccccc1Cl)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826423728 1449629967 /nfs/dbraw/zinc/62/99/67/1449629967.db2.gz CYXUZOTUINUNIO-UHFFFAOYSA-N -1 1 393.190 3.263 20 5 GGBDMM CC(C)C[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824244060 1449645715 /nfs/dbraw/zinc/64/57/15/1449645715.db2.gz QEKKUKRXGVUNFH-GXTWGEPZSA-N -1 1 397.439 3.329 20 5 GGBDMM C[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1cccc(O)c1 ZINC000820449946 1449738752 /nfs/dbraw/zinc/73/87/52/1449738752.db2.gz FAECKMFDSITOIO-SNVBAGLBSA-N -1 1 377.364 3.202 20 5 GGBDMM Cc1cccc(OCc2ccc(-c3nnn[n-]3)cc2Br)c1[N+](=O)[O-] ZINC000826300040 1449747733 /nfs/dbraw/zinc/74/77/33/1449747733.db2.gz FMCJANZFNZKVHO-UHFFFAOYSA-N -1 1 390.197 3.425 20 5 GGBDMM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000736194187 1449749300 /nfs/dbraw/zinc/74/93/00/1449749300.db2.gz XKEKBVXPYBEYAF-SECBINFHSA-N -1 1 388.384 3.033 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N3CC[C@H](c4ccccc4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645505 1449850287 /nfs/dbraw/zinc/85/02/87/1449850287.db2.gz RWDSBQIEUSSFAM-AWEZNQCLSA-N -1 1 387.403 3.317 20 5 GGBDMM O=[N+]([O-])c1ccc(Oc2ncc(-c3nnn[n-]3)cc2Cl)c(Br)c1 ZINC000738367547 1449902891 /nfs/dbraw/zinc/90/28/91/1449902891.db2.gz VLJKHGDEKPVHOB-UHFFFAOYSA-N -1 1 397.576 3.378 20 5 GGBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826264000 1449963563 /nfs/dbraw/zinc/96/35/63/1449963563.db2.gz YXABQGOMSPUOAN-CYBMUJFWSA-N -1 1 380.408 3.191 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000823630101 1449990655 /nfs/dbraw/zinc/99/06/55/1449990655.db2.gz RMNPUNAXWNWDTM-ZDUSSCGKSA-N -1 1 385.815 3.119 20 5 GGBDMM O=[N+]([O-])c1ccc(CSCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000826498157 1450001944 /nfs/dbraw/zinc/00/19/44/1450001944.db2.gz JGLBCROZNULXGY-UHFFFAOYSA-N -1 1 395.404 3.258 20 5 GGBDMM O=[N+]([O-])c1ccc(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c2ccncc21 ZINC000738368934 1450045559 /nfs/dbraw/zinc/04/55/59/1450045559.db2.gz FVPHIDHIYGZDMC-UHFFFAOYSA-N -1 1 387.403 3.492 20 5 GGBDMM C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824505866 1450127415 /nfs/dbraw/zinc/12/74/15/1450127415.db2.gz IOIAMBQYHYXJFO-VIFPVBQESA-N -1 1 387.787 3.311 20 5 GGBDMM O=[N+]([O-])c1ccc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)cc1 ZINC000826498541 1450135563 /nfs/dbraw/zinc/13/55/63/1450135563.db2.gz ZWJXPEDDTVCGKW-UHFFFAOYSA-N -1 1 396.798 3.226 20 5 GGBDMM CN(Cc1ccccc1[N+](=O)[O-])c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000736828231 1450215796 /nfs/dbraw/zinc/21/57/96/1450215796.db2.gz JKVPOBOHPRHEHE-UHFFFAOYSA-N -1 1 397.345 3.238 20 5 GGBDMM CCS[C@H]1CCC[C@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821456948 1450234736 /nfs/dbraw/zinc/23/47/36/1450234736.db2.gz SZGKNSKDIUIENC-CABCVRRESA-N -1 1 385.453 3.409 20 5 GGBDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737802003 1450256201 /nfs/dbraw/zinc/25/62/01/1450256201.db2.gz OGIACKOIKJGFNR-VURMDHGXSA-N -1 1 385.767 3.185 20 5 GGBDMM O=C(c1ccc(-c2nnn[n-]2)cc1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000738255561 1450258495 /nfs/dbraw/zinc/25/84/95/1450258495.db2.gz VIKUZEPMWYPEFD-UHFFFAOYSA-N -1 1 378.392 3.364 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cc(F)cc(Cl)c1 ZINC000826451050 1450314369 /nfs/dbraw/zinc/31/43/69/1450314369.db2.gz NRAQPPSPIVFTGZ-UHFFFAOYSA-N -1 1 397.153 3.473 20 5 GGBDMM Cc1ccc(F)c(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1F ZINC000826289198 1450341736 /nfs/dbraw/zinc/34/17/36/1450341736.db2.gz OXZNMSMIPKQXLC-UHFFFAOYSA-N -1 1 394.725 3.267 20 5 GGBDMM CCN(C(=O)C=C(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367180 1450348803 /nfs/dbraw/zinc/34/88/03/1450348803.db2.gz KKABYWWFQJSXPE-OUKQBFOZSA-N -1 1 378.392 3.231 20 5 GGBDMM CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1c1ccc(Cl)cc1 ZINC000826029589 1450427327 /nfs/dbraw/zinc/42/73/27/1450427327.db2.gz UMILIOIGDGJIPR-SJORKVTESA-N -1 1 399.842 3.286 20 5 GGBDMM CCCN1C(=O)CCc2cc(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])ccc21 ZINC000825328819 1450444753 /nfs/dbraw/zinc/44/47/53/1450444753.db2.gz XLYQGJLLOOLHFZ-UHFFFAOYSA-N -1 1 393.407 3.208 20 5 GGBDMM O=C([O-])[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc2ccccc2c1 ZINC000191469451 939036859 /nfs/dbraw/zinc/03/68/59/939036859.db2.gz CCHVLFPQNUWGCQ-QGZVFWFLSA-N -1 1 390.355 3.180 20 5 GGBDMM CC(C)(C)c1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1[N+](=O)[O-] ZINC000824137210 946599335 /nfs/dbraw/zinc/59/93/35/946599335.db2.gz YPCIBOXLJQUQRX-UHFFFAOYSA-N -1 1 382.380 3.030 20 5 GGBDMM CC(C)(C)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC001573882336 950776470 /nfs/dbraw/zinc/77/64/70/950776470.db2.gz ZMJRCBFIRCRSPZ-UHFFFAOYSA-N -1 1 386.437 3.064 20 5 GGBDMM O=C([O-])C[C@@H]1CCCCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001594987254 951024411 /nfs/dbraw/zinc/02/44/11/951024411.db2.gz WENUUPSMWVFCHV-NSHDSACASA-N -1 1 380.788 3.127 20 5 GGBDMM O=C([O-])CC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001595017185 951297061 /nfs/dbraw/zinc/29/70/61/951297061.db2.gz RWPZTRVBFUSEMK-LLVKDONJSA-N -1 1 394.815 3.375 20 5 GGBDMM O=C([O-])CC[C@H]1CCCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001595017185 951297074 /nfs/dbraw/zinc/29/70/74/951297074.db2.gz RWPZTRVBFUSEMK-LLVKDONJSA-N -1 1 394.815 3.375 20 5 GGBDMM C[C@@H](Cc1nc2ccccc2s1)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001575206006 952526317 /nfs/dbraw/zinc/52/63/17/952526317.db2.gz GCTRTZVXGOUXKY-JTQLQIEISA-N -1 1 381.421 3.428 20 5 GGBDMM C[C@@H](Cc1nc2ccccc2s1)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001575206006 952526320 /nfs/dbraw/zinc/52/63/20/952526320.db2.gz GCTRTZVXGOUXKY-JTQLQIEISA-N -1 1 381.421 3.428 20 5 GGBDMM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@@H]2C(=O)[O-])cc1OC ZINC000566354205 953625251 /nfs/dbraw/zinc/62/52/51/953625251.db2.gz QHJNMHIWDMYGAC-UKRRQHHQSA-N -1 1 380.441 3.467 20 5 GGBDMM COc1cc(CN2CCCC[C@@H]2CC(=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000593744294 953755245 /nfs/dbraw/zinc/75/52/45/953755245.db2.gz CMZJLSKJDUIHQG-GFCCVEGCSA-N -1 1 388.367 3.077 20 5 GGBDMM C[C@@](NCc1ccc(Br)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001589128811 956184656 /nfs/dbraw/zinc/18/46/56/956184656.db2.gz NWSAMCBSOYQVHY-INIZCTEOSA-N -1 1 379.210 3.447 20 5 GGBDMM Cc1ccc(C[N@H+]2CCCN(c3nc(C)cc(C(=O)[O-])c3[N+](=O)[O-])CC2)cc1 ZINC001329580151 961278993 /nfs/dbraw/zinc/27/89/93/961278993.db2.gz WEUUSFQGSMSTQN-UHFFFAOYSA-N -1 1 384.436 3.017 20 5 GGBDMM Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000263351749 962505644 /nfs/dbraw/zinc/50/56/44/962505644.db2.gz PYSQEBLBIWBMTC-IDHHARJASA-N -1 1 397.431 3.236 20 5 GGBDMM COc1cc(CNCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000263445083 962629025 /nfs/dbraw/zinc/62/90/25/962629025.db2.gz XOUJPJZROBKZOZ-UHFFFAOYSA-N -1 1 396.346 3.235 20 5 GGBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NC2CCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000566293888 974604684 /nfs/dbraw/zinc/60/46/84/974604684.db2.gz JIFYJWXCDNSDCI-UHFFFAOYSA-N -1 1 390.827 3.418 20 5 GGBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCN(Cc3ccccc3)C(C)(C)C2)n1 ZINC000573688473 974769898 /nfs/dbraw/zinc/76/98/98/974769898.db2.gz SLLJYMFETMQWLU-UHFFFAOYSA-N -1 1 384.436 3.097 20 5 GGBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC2CCN([C@@H](C)c3ccncc3)CC2)n1 ZINC000576758071 974821796 /nfs/dbraw/zinc/82/17/96/974821796.db2.gz GFVXYXACRPZJJM-ZDUSSCGKSA-N -1 1 385.424 3.029 20 5 GGBDMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1[N+](=O)[O-] ZINC000769619989 978742507 /nfs/dbraw/zinc/74/25/07/978742507.db2.gz IQFNXYZUAWFATE-UHFFFAOYSA-N -1 1 388.760 3.195 20 5 GGBDMM CC1(C)CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000844208370 979357961 /nfs/dbraw/zinc/35/79/61/979357961.db2.gz KMCUHNJXMSRRIQ-UHFFFAOYSA-N -1 1 383.448 3.323 20 5 GGBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001595211009 979987372 /nfs/dbraw/zinc/98/73/72/979987372.db2.gz BATOJQABCQENRX-LBPRGKRZSA-N -1 1 382.376 3.377 20 5 GGBDMM O=C([O-])CCN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000901679454 980442431 /nfs/dbraw/zinc/44/24/31/980442431.db2.gz TUKQCQAFYUWRSP-ZDUSSCGKSA-N -1 1 376.331 3.069 20 5 GGBDMM CC[C@H]1Oc2cc([C@H](C)NCc3cc(C(=O)[O-])ccc3[N+](=O)[O-])ccc2NC1=O ZINC001595499641 981265671 /nfs/dbraw/zinc/26/56/71/981265671.db2.gz NQTCWYKHTHPFIY-APPDUMDISA-N -1 1 399.403 3.253 20 5 GGBDMM CC[C@H]1Oc2cc([C@@H](C)NCc3cc(C(=O)[O-])ccc3[N+](=O)[O-])ccc2NC1=O ZINC001595499645 981265812 /nfs/dbraw/zinc/26/58/12/981265812.db2.gz NQTCWYKHTHPFIY-PIGZYNQJSA-N -1 1 399.403 3.253 20 5 GGBDMM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC001594533134 986134395 /nfs/dbraw/zinc/13/43/95/986134395.db2.gz APACIELFIRSMTE-SWLSCSKDSA-N -1 1 393.440 3.028 20 5 GGBDMM CCSCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])c1 ZINC001597264915 987293278 /nfs/dbraw/zinc/29/32/78/987293278.db2.gz CZQNQWJEARLTOF-UHFFFAOYSA-N -1 1 396.446 3.347 20 5 GGBDMM CCSc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC001597277602 987337376 /nfs/dbraw/zinc/33/73/76/987337376.db2.gz WNFDDXDKXYIEAS-UHFFFAOYSA-N -1 1 382.419 3.206 20 5 GGBDMM CSCc1cc(F)ccc1CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599802258 988196307 /nfs/dbraw/zinc/19/63/07/988196307.db2.gz IUKJRUHCAGCIAZ-UHFFFAOYSA-N -1 1 394.424 3.350 20 5 GGBDMM CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2SCCC(=O)[O-])n1 ZINC001597899695 989771750 /nfs/dbraw/zinc/77/17/50/989771750.db2.gz PNDHHIAJORISLW-UHFFFAOYSA-N -1 1 398.828 3.284 20 5 GGBDMM CN(C)Cc1cc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)ccc1Cl ZINC001598248730 991023127 /nfs/dbraw/zinc/02/31/27/991023127.db2.gz JIUMCJAMYIRJGT-UHFFFAOYSA-N -1 1 393.827 3.385 20 5 GGBDMM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC(C)(C)CNC(=O)OC(C)(C)C ZINC001598507340 992522242 /nfs/dbraw/zinc/52/22/42/992522242.db2.gz NVQOQRMPPYLLAV-UHFFFAOYSA-N -1 1 395.456 3.276 20 5 GGBDMM CN(c1ccccc1)C1CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001598544262 992929405 /nfs/dbraw/zinc/92/94/05/992929405.db2.gz LXESNHXXGZYDGN-UHFFFAOYSA-N -1 1 399.447 3.159 20 5 GGBDMM C[C@@](NCc1cc2c(c(Cl)c1)OCO2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593292085 994675130 /nfs/dbraw/zinc/67/51/30/994675130.db2.gz HLTVFHMPXRIILP-KRWDZBQOSA-N -1 1 378.768 3.067 20 5 GGBDMM C[C@](NCc1cc2ccc(F)cc2[nH]c1=O)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593293301 994682634 /nfs/dbraw/zinc/68/26/34/994682634.db2.gz UBIXASDOTULRLA-LJQANCHMSA-N -1 1 385.351 3.077 20 5 GGBDMM COc1cc(CN2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)ccc1[N+](=O)[O-] ZINC001599407856 997359882 /nfs/dbraw/zinc/35/98/82/997359882.db2.gz RYNCDUUEKUAMMV-LBPRGKRZSA-N -1 1 377.422 3.138 20 5 GGBDMM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC001599414566 997483246 /nfs/dbraw/zinc/48/32/46/997483246.db2.gz IFQPILAZVJIGLM-OAHLLOKOSA-N -1 1 395.209 3.281 20 5 GGBDMM COc1ccc([C@H](NCc2ccc(Br)cc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC001599533203 997695446 /nfs/dbraw/zinc/69/54/46/997695446.db2.gz WNFMUSPXHFZHIM-HNNXBMFYSA-N -1 1 395.209 3.281 20 5 GGBDMM COc1ccc([C@@H](NCc2ccc(Br)cc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC001599533204 997696437 /nfs/dbraw/zinc/69/64/37/997696437.db2.gz WNFMUSPXHFZHIM-OAHLLOKOSA-N -1 1 395.209 3.281 20 5 GGBDMM COc1ccc(CN2CC[C@H]2CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001599561050 998196588 /nfs/dbraw/zinc/19/65/88/998196588.db2.gz CCTIWQWTKHXNRV-OOYWPUHTSA-N -1 1 397.431 3.388 20 5 GGBDMM COC(=O)c1ccc([N+](=O)[O-])c(CN[C@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)c1 ZINC001598989062 998719693 /nfs/dbraw/zinc/71/96/93/998719693.db2.gz ZEOCASFPWHQBDU-LRTDBIEQSA-N -1 1 398.415 3.348 20 5 GGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)c1C ZINC000007325448 220994692 /nfs/dbraw/zinc/99/46/92/220994692.db2.gz IAESXYQJDXSUNS-UHFFFAOYSA-N -1 1 389.433 3.139 20 5 GGBDMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000007654077 221004459 /nfs/dbraw/zinc/00/44/59/221004459.db2.gz KRDZHLOCSUCIEP-UHFFFAOYSA-N -1 1 382.829 3.015 20 5 GGBDMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc([N+](=O)[O-])ccc1Cl ZINC000010666265 221106069 /nfs/dbraw/zinc/10/60/69/221106069.db2.gz FZWFCAXZVYSMMV-UHFFFAOYSA-N -1 1 375.720 3.417 20 5 GGBDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1C ZINC000012770837 221229351 /nfs/dbraw/zinc/22/93/51/221229351.db2.gz SOWSRXIVMGEQLG-UHFFFAOYSA-N -1 1 377.422 3.279 20 5 GGBDMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000018063925 221386321 /nfs/dbraw/zinc/38/63/21/221386321.db2.gz XGQKLOKAXUYAEB-UHFFFAOYSA-N -1 1 382.829 3.015 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000005121356 564212267 /nfs/dbraw/zinc/21/22/67/564212267.db2.gz DOIKBUXOCKHQCI-UHFFFAOYSA-N -1 1 387.211 3.167 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1nc2ccccc2s1 ZINC000119503705 564274301 /nfs/dbraw/zinc/27/43/01/564274301.db2.gz LPZWGYCRVRJSQY-UHFFFAOYSA-N -1 1 383.838 3.336 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccccc1OC(F)F ZINC000119526778 564275285 /nfs/dbraw/zinc/27/52/85/564275285.db2.gz QADHIGACEGGATE-UHFFFAOYSA-N -1 1 392.767 3.328 20 5 GGBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000014097690 564279328 /nfs/dbraw/zinc/27/93/28/564279328.db2.gz JQDLAYGCRSGWRM-UHFFFAOYSA-N -1 1 383.813 3.316 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000016130141 564292398 /nfs/dbraw/zinc/29/23/98/564292398.db2.gz IVYNMEWPNZIINL-UHFFFAOYSA-N -1 1 376.312 3.423 20 5 GGBDMM O=C([N-]c1nnc(-c2ccsc2)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000120150205 564306581 /nfs/dbraw/zinc/30/65/81/564306581.db2.gz BOWYBTJWUYSAOV-UHFFFAOYSA-N -1 1 377.363 3.335 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](CCCO)c1ccccc1 ZINC000121395826 564366816 /nfs/dbraw/zinc/36/68/16/564366816.db2.gz HYIMCBSPRCBDKQ-CQSZACIVSA-N -1 1 384.841 3.040 20 5 GGBDMM O=C(c1cc(Br)ccc1[O-])N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000121401382 564367854 /nfs/dbraw/zinc/36/78/54/564367854.db2.gz KTRKHDPGCAHGAO-UHFFFAOYSA-N -1 1 377.194 3.261 20 5 GGBDMM Cc1c(Br)cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000124848803 564495560 /nfs/dbraw/zinc/49/55/60/564495560.db2.gz URVRUGVLKWLMTA-UHFFFAOYSA-N -1 1 394.107 3.055 20 5 GGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000055638093 564627444 /nfs/dbraw/zinc/62/74/44/564627444.db2.gz HKXSTEFAXOULMY-UHFFFAOYSA-N -1 1 376.312 3.445 20 5 GGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC000130482631 564683071 /nfs/dbraw/zinc/68/30/71/564683071.db2.gz HEDLNTNJYGHUHS-UHFFFAOYSA-N -1 1 375.175 3.297 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)cc1[N+](=O)[O-] ZINC000060554320 564700427 /nfs/dbraw/zinc/70/04/27/564700427.db2.gz JQUGXIXMLGWAIV-UHFFFAOYSA-N -1 1 376.419 3.223 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(O)c2F)c(C(F)(F)F)c1 ZINC000131512826 564715059 /nfs/dbraw/zinc/71/50/59/564715059.db2.gz GFMMDPMGOPXJQB-UHFFFAOYSA-N -1 1 380.275 3.259 20 5 GGBDMM CCn1c(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[n-]c1=S ZINC000067075548 564783242 /nfs/dbraw/zinc/78/32/42/564783242.db2.gz WZAGBRYZMZXQRA-UHFFFAOYSA-N -1 1 377.451 3.056 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000134460975 564804079 /nfs/dbraw/zinc/80/40/79/564804079.db2.gz MHRAMQTZQRFWBJ-ZENOOKHLSA-N -1 1 378.837 3.112 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCOC2(CCCCC2)C1 ZINC000134658869 564811051 /nfs/dbraw/zinc/81/10/51/564811051.db2.gz WBFGKBPRXVNISG-GFCCVEGCSA-N -1 1 388.873 3.408 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(OC(F)F)cc1 ZINC000146535702 564881962 /nfs/dbraw/zinc/88/19/62/564881962.db2.gz RMABYSSUEJNBFF-UHFFFAOYSA-N -1 1 392.767 3.328 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccncc2Br)c(Cl)c1 ZINC000147718652 564882667 /nfs/dbraw/zinc/88/26/67/564882667.db2.gz RUUYMIJEJGDTHW-UHFFFAOYSA-N -1 1 392.618 3.207 20 5 GGBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c(Cl)c1 ZINC000103059662 564942075 /nfs/dbraw/zinc/94/20/75/564942075.db2.gz RGBJYEVRXYFWQA-UHFFFAOYSA-N -1 1 383.813 3.316 20 5 GGBDMM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000152314965 564954573 /nfs/dbraw/zinc/95/45/73/564954573.db2.gz MXZLGGRPHZMMQL-SECBINFHSA-N -1 1 388.854 3.250 20 5 GGBDMM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000104756525 564959439 /nfs/dbraw/zinc/95/94/39/564959439.db2.gz TZOHBVCHLCVSRD-UHFFFAOYSA-N -1 1 389.886 3.481 20 5 GGBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc(C)cs1 ZINC000104760080 564960195 /nfs/dbraw/zinc/96/01/95/564960195.db2.gz AIXNGLMHUCXGNA-LLVKDONJSA-N -1 1 375.859 3.443 20 5 GGBDMM C[C@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000158190672 565160186 /nfs/dbraw/zinc/16/01/86/565160186.db2.gz IBQAIXCGASZXLQ-BXKDBHETSA-N -1 1 390.870 3.100 20 5 GGBDMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000185779745 565221614 /nfs/dbraw/zinc/22/16/14/565221614.db2.gz TUENCRALMOTZEI-ZETCQYMHSA-N -1 1 376.316 3.052 20 5 GGBDMM COCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000270632605 565223751 /nfs/dbraw/zinc/22/37/51/565223751.db2.gz DEMCVEPRRMHIJP-UHFFFAOYSA-N -1 1 390.393 3.375 20 5 GGBDMM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000186729781 565281289 /nfs/dbraw/zinc/28/12/89/565281289.db2.gz IZSMTJTVJHAEJN-QMMMGPOBSA-N -1 1 375.859 3.095 20 5 GGBDMM O=C(NCc1ccc(Br)cc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187027366 565303684 /nfs/dbraw/zinc/30/36/84/565303684.db2.gz HIQZNKWBJOZBCC-UHFFFAOYSA-N -1 1 386.589 3.041 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)c1Cl ZINC000296221941 565308143 /nfs/dbraw/zinc/30/81/43/565308143.db2.gz KFWFYRQPRCSWTP-VIFPVBQESA-N -1 1 395.264 3.282 20 5 GGBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000167566436 565379439 /nfs/dbraw/zinc/37/94/39/565379439.db2.gz JXJBHQYWGVWFSQ-JQWIXIFHSA-N -1 1 382.825 3.091 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCOc2ccc(F)cc21 ZINC000171967193 565460519 /nfs/dbraw/zinc/46/05/19/565460519.db2.gz UMUHAWFHJCVGKD-GFCCVEGCSA-N -1 1 386.788 3.189 20 5 GGBDMM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C2CC2)n1 ZINC000173462122 565558442 /nfs/dbraw/zinc/55/84/42/565558442.db2.gz IQPXPBJMVNBLLP-ZDUSSCGKSA-N -1 1 387.870 3.443 20 5 GGBDMM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C2CC2)s1 ZINC000173488591 565560641 /nfs/dbraw/zinc/56/06/41/565560641.db2.gz PBBWSYGTLCUTMJ-CYBMUJFWSA-N -1 1 387.870 3.443 20 5 GGBDMM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C2CC2)s1 ZINC000173484612 565560948 /nfs/dbraw/zinc/56/09/48/565560948.db2.gz VNRWVFUKNXAGSB-CYBMUJFWSA-N -1 1 387.870 3.443 20 5 GGBDMM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C2CC2)s1 ZINC000173487145 565561055 /nfs/dbraw/zinc/56/10/55/565561055.db2.gz RFVWBPJYKNGJCK-HNNXBMFYSA-N -1 1 381.479 3.406 20 5 GGBDMM C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000302991161 565566312 /nfs/dbraw/zinc/56/63/12/565566312.db2.gz LHWMITYWPKSWQA-SNVBAGLBSA-N -1 1 394.225 3.209 20 5 GGBDMM CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000173808106 565588869 /nfs/dbraw/zinc/58/88/69/565588869.db2.gz ZUQCEQGOWUKBDY-AWEZNQCLSA-N -1 1 388.804 3.053 20 5 GGBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2=O ZINC000191229324 565590270 /nfs/dbraw/zinc/59/02/70/565590270.db2.gz CPUQJSLYBXVGCK-UHFFFAOYSA-N -1 1 380.809 3.486 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)c(C(F)(F)F)c1 ZINC000330529722 565710956 /nfs/dbraw/zinc/71/09/56/565710956.db2.gz LXDWEOVUANURBH-UHFFFAOYSA-N -1 1 388.314 3.470 20 5 GGBDMM CC(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccnc1 ZINC000177017991 565822736 /nfs/dbraw/zinc/82/27/36/565822736.db2.gz ZADGMDJNDXRNBQ-CYBMUJFWSA-N -1 1 383.857 3.361 20 5 GGBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)c1 ZINC000194625972 565827906 /nfs/dbraw/zinc/82/79/06/565827906.db2.gz PBKDXENCBREYDH-UHFFFAOYSA-N -1 1 378.797 3.235 20 5 GGBDMM Cc1cccc(OC[C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000195669336 565891705 /nfs/dbraw/zinc/89/17/05/565891705.db2.gz NDSCYQUKADYTKP-GFCCVEGCSA-N -1 1 384.841 3.302 20 5 GGBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(Br)ccc1[O-] ZINC000195711407 565891756 /nfs/dbraw/zinc/89/17/56/565891756.db2.gz GITFOHMUCLNMOS-UHFFFAOYSA-N -1 1 381.182 3.002 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000180210872 566044998 /nfs/dbraw/zinc/04/49/98/566044998.db2.gz XJGGIYYPDFUGRA-UHFFFAOYSA-N -1 1 392.220 3.414 20 5 GGBDMM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000416419861 566065860 /nfs/dbraw/zinc/06/58/60/566065860.db2.gz WMQFRDMZQKDOTN-QMMMGPOBSA-N -1 1 395.384 3.418 20 5 GGBDMM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416463009 566070924 /nfs/dbraw/zinc/07/09/24/566070924.db2.gz AIFWSZVPWTUBLK-ZCFIWIBFSA-N -1 1 380.266 3.233 20 5 GGBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C1CC(C(F)(F)F)C1 ZINC000416488519 566075050 /nfs/dbraw/zinc/07/50/50/566075050.db2.gz OUEUPSVMAHFFEC-UHFFFAOYSA-N -1 1 392.277 3.233 20 5 GGBDMM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000180830825 566093209 /nfs/dbraw/zinc/09/32/09/566093209.db2.gz RDTSUFVDWGSIRY-UHFFFAOYSA-N -1 1 375.332 3.485 20 5 GGBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC(F)(F)F ZINC000416602014 566093714 /nfs/dbraw/zinc/09/37/14/566093714.db2.gz JPTAAJSSXFVTSO-SSDOTTSWSA-N -1 1 394.293 3.480 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C3CC3)C2)c(Cl)cc1Cl ZINC000289971554 566150047 /nfs/dbraw/zinc/15/00/47/566150047.db2.gz UJRQWEHUDTTZOW-NOZJJQNGSA-N -1 1 395.264 3.138 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)cc2)s1 ZINC000181594630 566151517 /nfs/dbraw/zinc/15/15/17/566151517.db2.gz UZLVMYJCOCIUOM-FZMZJTMJSA-N -1 1 388.854 3.118 20 5 GGBDMM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290339209 566167013 /nfs/dbraw/zinc/16/70/13/566167013.db2.gz BKFJEBIZJDDDIJ-SSDOTTSWSA-N -1 1 391.808 3.074 20 5 GGBDMM COc1cc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000182791709 566223908 /nfs/dbraw/zinc/22/39/08/566223908.db2.gz CFMFCTAOFXOCOJ-ZDUSSCGKSA-N -1 1 382.360 3.003 20 5 GGBDMM CCN(Cc1cccc(Br)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444852942 566254309 /nfs/dbraw/zinc/25/43/09/566254309.db2.gz BMCUBKJICFOJEH-UHFFFAOYSA-N -1 1 380.198 3.120 20 5 GGBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000445184455 566271105 /nfs/dbraw/zinc/27/11/05/566271105.db2.gz DWYSKJYJXMDCMY-UHFFFAOYSA-N -1 1 394.225 3.166 20 5 GGBDMM O=C(Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)Nc1cccc(Cl)c1Cl ZINC000445370737 566284633 /nfs/dbraw/zinc/28/46/33/566284633.db2.gz NQHUYGILGXJNKA-UHFFFAOYSA-N -1 1 382.163 3.461 20 5 GGBDMM Cc1cc(Br)c([O-])c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC000482579434 566319897 /nfs/dbraw/zinc/31/98/97/566319897.db2.gz NXMVIOWIZPTPHD-UHFFFAOYSA-N -1 1 394.225 3.446 20 5 GGBDMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C12CCCC2 ZINC000462662820 566338542 /nfs/dbraw/zinc/33/85/42/566338542.db2.gz YLTICDWUWJEULJ-KGLIPLIRSA-N -1 1 388.873 3.264 20 5 GGBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000576365160 566340592 /nfs/dbraw/zinc/34/05/92/566340592.db2.gz SRMPUGRWLBWILN-QMMMGPOBSA-N -1 1 376.221 3.336 20 5 GGBDMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000462711432 566345868 /nfs/dbraw/zinc/34/58/68/566345868.db2.gz JKMURLZZGQQCCX-SNVBAGLBSA-N -1 1 388.804 3.133 20 5 GGBDMM Cc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000462724296 566347910 /nfs/dbraw/zinc/34/79/10/566347910.db2.gz CVRQFGVPZUKJFP-LBPRGKRZSA-N -1 1 384.841 3.302 20 5 GGBDMM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(F)c1 ZINC000447340859 566405914 /nfs/dbraw/zinc/40/59/14/566405914.db2.gz BYNPHIWLNJTUBO-UHFFFAOYSA-N -1 1 388.760 3.195 20 5 GGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000577268996 566418683 /nfs/dbraw/zinc/41/86/83/566418683.db2.gz GVMMBHQNKZIWAQ-GXTWGEPZSA-N -1 1 381.841 3.258 20 5 GGBDMM O=C(NC1(c2cccc(Br)c2)CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484270416 566423018 /nfs/dbraw/zinc/42/30/18/566423018.db2.gz WJHLETXVNOJCDV-UHFFFAOYSA-N -1 1 392.209 3.267 20 5 GGBDMM CSc1ccc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000537197642 566429569 /nfs/dbraw/zinc/42/95/69/566429569.db2.gz UDIAEGYTRPUJTL-UHFFFAOYSA-N -1 1 382.419 3.124 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1(c2ccccn2)CCC1 ZINC000511426368 566463897 /nfs/dbraw/zinc/46/38/97/566463897.db2.gz FKWASZBUZHEIJV-UHFFFAOYSA-N -1 1 381.841 3.043 20 5 GGBDMM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000464358729 566468891 /nfs/dbraw/zinc/46/88/91/566468891.db2.gz GTFKNOBMXWXAAB-ZCFIWIBFSA-N -1 1 380.266 3.233 20 5 GGBDMM CCn1c2ccc(Br)cc2nc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000512343371 566527749 /nfs/dbraw/zinc/52/77/49/566527749.db2.gz PAHAEMOIODGWRX-UHFFFAOYSA-N -1 1 378.186 3.307 20 5 GGBDMM CCCCn1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)n1 ZINC000539114701 566561774 /nfs/dbraw/zinc/56/17/74/566561774.db2.gz FQNZFPXPJAQXFS-UHFFFAOYSA-N -1 1 386.861 3.032 20 5 GGBDMM COc1ccc(C)cc1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000604431810 566566133 /nfs/dbraw/zinc/56/61/33/566566133.db2.gz OQGCPDVSSZHLGE-UHFFFAOYSA-N -1 1 384.841 3.086 20 5 GGBDMM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000487327909 566663319 /nfs/dbraw/zinc/66/33/19/566663319.db2.gz SHSROONTBXGJFZ-UHFFFAOYSA-N -1 1 387.211 3.167 20 5 GGBDMM CCSc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000487676903 566687034 /nfs/dbraw/zinc/68/70/34/566687034.db2.gz QXPSBPARQXOCGX-UHFFFAOYSA-N -1 1 376.366 3.412 20 5 GGBDMM COc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000541074142 566694000 /nfs/dbraw/zinc/69/40/00/566694000.db2.gz LYLGMBFMUCXEHY-UHFFFAOYSA-N -1 1 376.312 3.423 20 5 GGBDMM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000541313667 566715578 /nfs/dbraw/zinc/71/55/78/566715578.db2.gz YERUEUNHHUVFEJ-UHFFFAOYSA-N -1 1 397.261 3.450 20 5 GGBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(CSC)cc2)cc1[N+](=O)[O-] ZINC000488273837 566719210 /nfs/dbraw/zinc/71/92/10/566719210.db2.gz QZWWKRLUFYSRPT-UHFFFAOYSA-N -1 1 386.426 3.406 20 5 GGBDMM COc1ccc(Br)cc1[C@@H](NCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000426741397 566727038 /nfs/dbraw/zinc/72/70/38/566727038.db2.gz FFPHBVLTSOYLRQ-OAHLLOKOSA-N -1 1 395.209 3.281 20 5 GGBDMM O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000608963102 566745386 /nfs/dbraw/zinc/74/53/86/566745386.db2.gz LHNIJQCNDKHNOW-UHFFFAOYSA-N -1 1 390.197 3.183 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C1(c2ccccc2)CC1 ZINC000488822795 566750426 /nfs/dbraw/zinc/75/04/26/566750426.db2.gz IPPQYFVMHQLOPQ-UHFFFAOYSA-N -1 1 397.250 3.325 20 5 GGBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N(C)c1ccccc1 ZINC000516341929 566760103 /nfs/dbraw/zinc/76/01/03/566760103.db2.gz GZTKOCFXWCXHMB-LBPRGKRZSA-N -1 1 383.857 3.051 20 5 GGBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(F)c(Br)c1 ZINC000609393429 566763503 /nfs/dbraw/zinc/76/35/03/566763503.db2.gz UMPZCBBVGZTRCB-SSDOTTSWSA-N -1 1 384.161 3.088 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1(c2nccs2)CCCC1 ZINC000609708677 566782005 /nfs/dbraw/zinc/78/20/05/566782005.db2.gz PLFRNMJIGIJADO-UHFFFAOYSA-N -1 1 387.870 3.453 20 5 GGBDMM COc1cc([N+](=O)[O-])ccc1C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000427713516 566790456 /nfs/dbraw/zinc/79/04/56/566790456.db2.gz QBLMKPQSJJBKKI-UHFFFAOYSA-N -1 1 378.797 3.383 20 5 GGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCSc2ccc(Cl)cc21 ZINC000610259994 566818667 /nfs/dbraw/zinc/81/86/67/566818667.db2.gz FPYRNBIYVUQVHK-NSHDSACASA-N -1 1 385.854 3.159 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC(C1CC1)C1CC1 ZINC000610270018 566820318 /nfs/dbraw/zinc/82/03/18/566820318.db2.gz ABSGPWYGJPXGFZ-UHFFFAOYSA-N -1 1 389.271 3.072 20 5 GGBDMM CC[C@@H](CN1CCCC1)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000610576946 566845696 /nfs/dbraw/zinc/84/56/96/566845696.db2.gz KIYKROSMNBTDBC-NSHDSACASA-N -1 1 396.296 3.054 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1COc2c1cccc2Cl ZINC000610711754 566856589 /nfs/dbraw/zinc/85/65/89/566856589.db2.gz BOPITBVYWKNLEQ-NSHDSACASA-N -1 1 389.216 3.314 20 5 GGBDMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000582502796 566868445 /nfs/dbraw/zinc/86/84/45/566868445.db2.gz ZOPFOXNCIAYGEP-UHFFFAOYSA-N -1 1 388.561 3.069 20 5 GGBDMM CCn1cc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C(C)C)c([N+](=O)[O-])n1 ZINC000611104831 566889037 /nfs/dbraw/zinc/88/90/37/566889037.db2.gz OCULIVGROVCHBG-CQSZACIVSA-N -1 1 386.861 3.140 20 5 GGBDMM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]nc1C(F)(F)F ZINC000611101849 566889497 /nfs/dbraw/zinc/88/94/97/566889497.db2.gz FVPKQSDMNFZJCW-UHFFFAOYSA-N -1 1 384.723 3.099 20 5 GGBDMM CCn1cc(S(=O)(=O)[N-]C(c2cccs2)c2cccs2)c([N+](=O)[O-])n1 ZINC000611106086 566889632 /nfs/dbraw/zinc/88/96/32/566889632.db2.gz XTBSFHWLKQHVQA-UHFFFAOYSA-N -1 1 398.491 3.002 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c(C(F)(F)F)c1 ZINC000451828623 566889718 /nfs/dbraw/zinc/88/97/18/566889718.db2.gz WNQHFCVCEQOYSJ-QMMMGPOBSA-N -1 1 388.314 3.327 20 5 GGBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2ccccc2Cl)C(C)C)c([N+](=O)[O-])n1 ZINC000611107564 566890856 /nfs/dbraw/zinc/89/08/56/566890856.db2.gz RGGUKIHRDSTKLB-AWEZNQCLSA-N -1 1 386.861 3.140 20 5 GGBDMM COc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000451967917 566915997 /nfs/dbraw/zinc/91/59/97/566915997.db2.gz RRFQKANIWWFTQW-GXTWGEPZSA-N -1 1 382.825 3.091 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1nc(-c2cccs2)c[nH]1 ZINC000563901662 566926409 /nfs/dbraw/zinc/92/64/09/566926409.db2.gz DHYYZVXZBWMXLZ-UHFFFAOYSA-N -1 1 398.853 3.178 20 5 GGBDMM Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(Cl)cc1F ZINC000471119457 566930737 /nfs/dbraw/zinc/93/07/37/566930737.db2.gz ULMRXZOKRRFHMC-UHFFFAOYSA-N -1 1 388.760 3.195 20 5 GGBDMM Cc1cccnc1C(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000519569464 566948301 /nfs/dbraw/zinc/94/83/01/566948301.db2.gz RLBROYSRUNIIPP-UHFFFAOYSA-N -1 1 383.857 3.208 20 5 GGBDMM COc1cc(Cl)ccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000520777874 567024307 /nfs/dbraw/zinc/02/43/07/567024307.db2.gz OAQAOIHTBDWYMO-UHFFFAOYSA-N -1 1 391.232 3.389 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000452872205 567028121 /nfs/dbraw/zinc/02/81/21/567028121.db2.gz QCRHBACAOHDMEO-NSHDSACASA-N -1 1 392.209 3.088 20 5 GGBDMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1Cl ZINC000431179454 567064178 /nfs/dbraw/zinc/06/41/78/567064178.db2.gz GNTHWPPUOHRTAS-UHFFFAOYSA-N -1 1 384.797 3.144 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1COc2ccc(Cl)cc21 ZINC000474300306 567157126 /nfs/dbraw/zinc/15/71/26/567157126.db2.gz AQGYFESKKVLHKC-NSHDSACASA-N -1 1 389.216 3.314 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1COc2ccc(Cl)cc21 ZINC000474300305 567158006 /nfs/dbraw/zinc/15/80/06/567158006.db2.gz AQGYFESKKVLHKC-LLVKDONJSA-N -1 1 389.216 3.314 20 5 GGBDMM O=C(Nc1ccnn1Cc1cccc(Br)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000524174566 567186194 /nfs/dbraw/zinc/18/61/94/567186194.db2.gz WDTRKZHKBCDAIS-UHFFFAOYSA-N -1 1 390.197 3.183 20 5 GGBDMM CCOc1ccccc1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000524314302 567194492 /nfs/dbraw/zinc/19/44/92/567194492.db2.gz MFDCDOFWOOADIU-UHFFFAOYSA-N -1 1 384.841 3.168 20 5 GGBDMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000433096511 567221942 /nfs/dbraw/zinc/22/19/42/567221942.db2.gz DVJKAPBMBGLQQE-UHFFFAOYSA-N -1 1 393.222 3.483 20 5 GGBDMM CC(C)(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000525188337 567234441 /nfs/dbraw/zinc/23/44/41/567234441.db2.gz FVWAGDYBFZFZLT-UHFFFAOYSA-N -1 1 387.820 3.038 20 5 GGBDMM CC(C)(C)C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000547888865 567257090 /nfs/dbraw/zinc/25/70/90/567257090.db2.gz CKWJOYVWJIHDCZ-VIFPVBQESA-N -1 1 399.252 3.069 20 5 GGBDMM CCOC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc1C(F)(F)F ZINC000567995441 567296610 /nfs/dbraw/zinc/29/66/10/567296610.db2.gz KNVJGNFETDWEBB-UHFFFAOYSA-N -1 1 379.272 3.092 20 5 GGBDMM COc1c(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)cccc1[N+](=O)[O-] ZINC000476480105 567327149 /nfs/dbraw/zinc/32/71/49/567327149.db2.gz HWOQEBJIIQCLCS-UHFFFAOYSA-N -1 1 378.797 3.383 20 5 GGBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2cc3ccccc3s2)c([N+](=O)[O-])n1 ZINC000549520286 567394767 /nfs/dbraw/zinc/39/47/67/567394767.db2.gz NJHUXEQKRHTYIF-SNVBAGLBSA-N -1 1 380.451 3.065 20 5 GGBDMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000436516844 567431501 /nfs/dbraw/zinc/43/15/01/567431501.db2.gz XDYMYZLTUDQYKC-UHFFFAOYSA-N -1 1 395.165 3.102 20 5 GGBDMM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Br)cc1[O-] ZINC000436675182 567442347 /nfs/dbraw/zinc/44/23/47/567442347.db2.gz JYQPWVWFKPAPNZ-UHFFFAOYSA-N -1 1 379.210 3.378 20 5 GGBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F ZINC000619495437 567460368 /nfs/dbraw/zinc/46/03/68/567460368.db2.gz SNZBTXSMXMUTRY-NSHDSACASA-N -1 1 384.376 3.249 20 5 GGBDMM CC(C)C[C@H]1OCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000478781765 567482750 /nfs/dbraw/zinc/48/27/50/567482750.db2.gz FTMBRYJPDLTFDX-TZMCWYRMSA-N -1 1 376.862 3.120 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1CCC2(CCOCC2)CC1 ZINC000437306709 567489015 /nfs/dbraw/zinc/48/90/15/567489015.db2.gz PAFGNSHQQMLVJK-UHFFFAOYSA-N -1 1 388.873 3.266 20 5 GGBDMM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000479379607 567529499 /nfs/dbraw/zinc/52/94/99/567529499.db2.gz SBSHSCQKOWSWHQ-GXFFZTMASA-N -1 1 376.862 3.120 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCOc2ccccc21 ZINC000504544602 567539903 /nfs/dbraw/zinc/53/99/03/567539903.db2.gz BKXPIQVTRKTKSK-CYBMUJFWSA-N -1 1 382.825 3.440 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C/C=C\c1ccccc1 ZINC000480001569 567574177 /nfs/dbraw/zinc/57/41/77/567574177.db2.gz ZDNTXXDCEBZCPT-DAXSKMNVSA-N -1 1 397.250 3.349 20 5 GGBDMM COc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000480221224 567590648 /nfs/dbraw/zinc/59/06/48/567590648.db2.gz SVRGTDKYNHKGEN-UHFFFAOYSA-N -1 1 393.204 3.417 20 5 GGBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1Cl ZINC000530325675 567591845 /nfs/dbraw/zinc/59/18/45/567591845.db2.gz BCDOMLQMWIOFAT-UHFFFAOYSA-N -1 1 384.797 3.144 20 5 GGBDMM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000505753856 567594597 /nfs/dbraw/zinc/59/45/97/567594597.db2.gz ZLPOXUACTCEKKX-UHFFFAOYSA-N -1 1 375.332 3.486 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCc2c(O)cccc21 ZINC000480840542 567635585 /nfs/dbraw/zinc/63/55/85/567635585.db2.gz FMOGBCOGBCJFIJ-ZDUSSCGKSA-N -1 1 382.825 3.310 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCC2(CCCCC2)O1 ZINC000480902843 567641841 /nfs/dbraw/zinc/64/18/41/567641841.db2.gz WGSHHBKYKPTFQK-LBPRGKRZSA-N -1 1 388.873 3.408 20 5 GGBDMM O=C(Nc1cc(Br)ccc1[O-])c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000531253875 567649419 /nfs/dbraw/zinc/64/94/19/567649419.db2.gz PTZOTKSUIJNFMA-UHFFFAOYSA-N -1 1 395.165 3.086 20 5 GGBDMM C[C@@H](CCCCC(=O)[O-])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000572695342 567659206 /nfs/dbraw/zinc/65/92/06/567659206.db2.gz NXNKTDUWPIHQSB-QMMMGPOBSA-N -1 1 399.252 3.213 20 5 GGBDMM C[C@H](CCCCC(=O)[O-])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000572695341 567659334 /nfs/dbraw/zinc/65/93/34/567659334.db2.gz NXNKTDUWPIHQSB-MRVPVSSYSA-N -1 1 399.252 3.213 20 5 GGBDMM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000553906266 567697492 /nfs/dbraw/zinc/69/74/92/567697492.db2.gz ORVSFABGHYLLEQ-GLEZIHRCSA-N -1 1 386.788 3.188 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)cc1 ZINC000508094127 567729345 /nfs/dbraw/zinc/72/93/45/567729345.db2.gz JYWVHUHBBBBBBN-UHFFFAOYSA-N -1 1 392.618 3.207 20 5 GGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cncc(Cl)c1Br ZINC000508127574 567731285 /nfs/dbraw/zinc/73/12/85/567731285.db2.gz ZYLSUGXWSTUSFG-UHFFFAOYSA-N -1 1 392.618 3.207 20 5 GGBDMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000007505789 570861135 /nfs/dbraw/zinc/86/11/35/570861135.db2.gz QCDRXBOHEKTBEA-UHFFFAOYSA-N -1 1 375.720 3.417 20 5 GGBDMM O=[N+]([O-])c1cnc(Oc2cccc(Oc3ccccn3)c2)c(-c2nnn[n-]2)c1 ZINC000738374728 598498888 /nfs/dbraw/zinc/49/88/88/598498888.db2.gz SROYVBCQPXMLGS-UHFFFAOYSA-N -1 1 377.320 3.150 20 5 GGBDMM O=[N+]([O-])c1cnc(Oc2cccc(Oc3ccccn3)c2)c(-c2nn[n-]n2)c1 ZINC000738374728 598498890 /nfs/dbraw/zinc/49/88/90/598498890.db2.gz SROYVBCQPXMLGS-UHFFFAOYSA-N -1 1 377.320 3.150 20 5 GGBDMM COc1ccc(-c2n[nH]c(CNc3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])n2)cc1 ZINC000737912379 600079607 /nfs/dbraw/zinc/07/96/07/600079607.db2.gz MVMOZYUJWJYEIW-YCRREMRBSA-N -1 1 395.375 3.098 20 5 GGBDMM COc1ccc(-c2nc(CNc3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])n[nH]2)cc1 ZINC000737912379 600079611 /nfs/dbraw/zinc/07/96/11/600079611.db2.gz MVMOZYUJWJYEIW-YCRREMRBSA-N -1 1 395.375 3.098 20 5 GGBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1-c1nnn[n-]1 ZINC000826498772 607452568 /nfs/dbraw/zinc/45/25/68/607452568.db2.gz JEGPSKZIEXFYOL-GFCCVEGCSA-N -1 1 391.391 3.300 20 5 GGBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1-c1nn[n-]n1 ZINC000826498772 607452570 /nfs/dbraw/zinc/45/25/70/607452570.db2.gz JEGPSKZIEXFYOL-GFCCVEGCSA-N -1 1 391.391 3.300 20 5 GGBDMM CCN1CCCN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000829770157 601251792 /nfs/dbraw/zinc/25/17/92/601251792.db2.gz FHZRCZZRXUIGKS-UHFFFAOYSA-N -1 1 397.431 3.056 20 5 GGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)[O-])c1C ZINC000013301126 601357430 /nfs/dbraw/zinc/35/74/30/601357430.db2.gz SYYJJKJRXJVMCU-UHFFFAOYSA-N -1 1 384.797 3.364 20 5 GGBDMM CC[C@@H](N[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000828982952 601380396 /nfs/dbraw/zinc/38/03/96/601380396.db2.gz KGJYRUBUWBJXJQ-SCLBCKFNSA-N -1 1 385.420 3.039 20 5 GGBDMM CC[C@H](N[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000828982953 601380532 /nfs/dbraw/zinc/38/05/32/601380532.db2.gz KGJYRUBUWBJXJQ-UGSOOPFHSA-N -1 1 385.420 3.039 20 5 GGBDMM Cc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@H](C)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000832941974 601527306 /nfs/dbraw/zinc/52/73/06/601527306.db2.gz PYSQEBLBIWBMTC-GMBSWORKSA-N -1 1 397.431 3.236 20 5 GGBDMM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000753062881 601782177 /nfs/dbraw/zinc/78/21/77/601782177.db2.gz VFSPHVJGPAHJRU-UHFFFAOYSA-N -1 1 384.797 3.364 20 5 GGBDMM Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000753067993 601782506 /nfs/dbraw/zinc/78/25/06/601782506.db2.gz JZDJZWDFHJCDPE-UHFFFAOYSA-N -1 1 388.760 3.195 20 5 GGBDMM Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1C(=O)[O-] ZINC000753078233 601782744 /nfs/dbraw/zinc/78/27/44/601782744.db2.gz IDVVLOFPZYXQHJ-UHFFFAOYSA-N -1 1 384.797 3.364 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000832958761 601830484 /nfs/dbraw/zinc/83/04/84/601830484.db2.gz SMASMMXCYHOROU-UHFFFAOYSA-N -1 1 388.760 3.195 20 5 GGBDMM O=C([O-])c1cc([N+](=O)[O-])c(NC2CCN(Cc3ccccn3)CC2)cc1Cl ZINC000833306558 602252171 /nfs/dbraw/zinc/25/21/71/602252171.db2.gz BTEMCVJXSDZUDR-UHFFFAOYSA-N -1 1 390.827 3.418 20 5 GGBDMM O=C([O-])c1cc([N+](=O)[O-])c(NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1Cl ZINC000833307901 604264615 /nfs/dbraw/zinc/26/46/15/604264615.db2.gz SMHLVLLUACSDHE-UHFFFAOYSA-N -1 1 391.746 3.483 20 5 GGBDMM O=C([O-])c1cc([N+](=O)[O-])c(NCc2n[nH]c(-c3ccc(F)cc3)n2)cc1Cl ZINC000833307901 604264618 /nfs/dbraw/zinc/26/46/18/604264618.db2.gz SMHLVLLUACSDHE-UHFFFAOYSA-N -1 1 391.746 3.483 20 5 GGBDMM COc1cc(CN(CC(=O)[O-])Cc2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000831989710 604785677 /nfs/dbraw/zinc/78/56/77/604785677.db2.gz LSVXSLYBMUIFOO-UHFFFAOYSA-N -1 1 394.811 3.352 20 5 GGBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833545610 604866794 /nfs/dbraw/zinc/86/67/94/604866794.db2.gz KUFHXXMQTJDLAT-SECBINFHSA-N -1 1 386.389 3.289 20 5 GGBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833545612 604866811 /nfs/dbraw/zinc/86/68/11/604866811.db2.gz KUFHXXMQTJDLAT-VIFPVBQESA-N -1 1 386.389 3.289 20 5 GGBDMM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000833421382 604955068 /nfs/dbraw/zinc/95/50/68/604955068.db2.gz MEWHLMOXYPENLV-NSHDSACASA-N -1 1 383.832 3.010 20 5 GGBDMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000833421381 604955103 /nfs/dbraw/zinc/95/51/03/604955103.db2.gz MEWHLMOXYPENLV-LLVKDONJSA-N -1 1 383.832 3.010 20 5 GGBDMM CC(C)COc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000833490420 605328144 /nfs/dbraw/zinc/32/81/44/605328144.db2.gz GYRCALYMGZOBMY-UHFFFAOYSA-N -1 1 394.405 3.129 20 5 GGBDMM O=[N+]([O-])c1cc(NCc2cccnc2OC2CCCC2)ccc1-c1nn[n-]n1 ZINC000823634520 606645060 /nfs/dbraw/zinc/64/50/60/606645060.db2.gz JIHSUPFYFZLDDL-UHFFFAOYSA-N -1 1 381.396 3.103 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccccc1COc1ccccc1 ZINC000823630288 606702636 /nfs/dbraw/zinc/70/26/36/606702636.db2.gz VZDJNMXNESBEFI-UHFFFAOYSA-N -1 1 389.375 3.493 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccccc1COc1ccccc1 ZINC000823630288 606702637 /nfs/dbraw/zinc/70/26/37/606702637.db2.gz VZDJNMXNESBEFI-UHFFFAOYSA-N -1 1 389.375 3.493 20 5 GGBDMM Cc1nc(-c2ccc(CNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2)cs1 ZINC000822419940 606703435 /nfs/dbraw/zinc/70/34/35/606703435.db2.gz XNZBFAYHXQRGTA-UHFFFAOYSA-N -1 1 394.420 3.214 20 5 GGBDMM Cc1nc(-c2ccc(CNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2)cs1 ZINC000822419940 606703436 /nfs/dbraw/zinc/70/34/36/606703436.db2.gz XNZBFAYHXQRGTA-UHFFFAOYSA-N -1 1 394.420 3.214 20 5 GGBDMM Cc1csc(-c2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2)n1 ZINC000822409136 606706977 /nfs/dbraw/zinc/70/69/77/606706977.db2.gz MRGMRYCFWSXEMG-UHFFFAOYSA-N -1 1 380.393 3.345 20 5 GGBDMM Cc1csc(-c2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2)n1 ZINC000822409136 606706979 /nfs/dbraw/zinc/70/69/79/606706979.db2.gz MRGMRYCFWSXEMG-UHFFFAOYSA-N -1 1 380.393 3.345 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1Cc2ccccc2-c2ccccc2C1 ZINC000823620831 606707254 /nfs/dbraw/zinc/70/72/54/606707254.db2.gz QRTKZDHKDDUCPN-UHFFFAOYSA-N -1 1 385.387 3.357 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1Cc2ccccc2-c2ccccc2C1 ZINC000823620831 606707256 /nfs/dbraw/zinc/70/72/56/606707256.db2.gz QRTKZDHKDDUCPN-UHFFFAOYSA-N -1 1 385.387 3.357 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(c2ccc(Cl)cc2)CCC1 ZINC000823620774 606707610 /nfs/dbraw/zinc/70/76/10/606707610.db2.gz PVSLEGXWNQRFNB-UHFFFAOYSA-N -1 1 385.815 3.357 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(c2ccc(Cl)cc2)CCC1 ZINC000823620774 606707611 /nfs/dbraw/zinc/70/76/11/606707611.db2.gz PVSLEGXWNQRFNB-UHFFFAOYSA-N -1 1 385.815 3.357 20 5 GGBDMM CCc1nnc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(-c2nnn[n-]2)c1CC ZINC000821548523 606917516 /nfs/dbraw/zinc/91/75/16/606917516.db2.gz NEHPFJKFMCDSIS-UHFFFAOYSA-N -1 1 375.776 3.135 20 5 GGBDMM CCc1nnc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(-c2nn[n-]n2)c1CC ZINC000821548523 606917517 /nfs/dbraw/zinc/91/75/17/606917517.db2.gz NEHPFJKFMCDSIS-UHFFFAOYSA-N -1 1 375.776 3.135 20 5 GGBDMM CCOc1cccc2cc([C@H](C)Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])oc21 ZINC000821431624 607163941 /nfs/dbraw/zinc/16/39/41/607163941.db2.gz XXZNZAWFVKLHIL-JTQLQIEISA-N -1 1 395.379 3.488 20 5 GGBDMM CCOc1cccc2cc([C@H](C)Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])oc21 ZINC000821431624 607163943 /nfs/dbraw/zinc/16/39/43/607163943.db2.gz XXZNZAWFVKLHIL-JTQLQIEISA-N -1 1 395.379 3.488 20 5 GGBDMM CC1CCN(c2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2)CC1 ZINC000820727646 607164113 /nfs/dbraw/zinc/16/41/13/607164113.db2.gz NIRXQNYURHTGAQ-UHFFFAOYSA-N -1 1 380.412 3.150 20 5 GGBDMM CC1CCN(c2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2)CC1 ZINC000820727646 607164114 /nfs/dbraw/zinc/16/41/14/607164114.db2.gz NIRXQNYURHTGAQ-UHFFFAOYSA-N -1 1 380.412 3.150 20 5 GGBDMM Cc1cccc([C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c2ccccn2)c1 ZINC000826296604 608230941 /nfs/dbraw/zinc/23/09/41/608230941.db2.gz CAKNQCKYPIEITC-MRXNPFEDSA-N -1 1 388.391 3.075 20 5 GGBDMM Cc1cccc([C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c2ccccn2)c1 ZINC000826296604 608230943 /nfs/dbraw/zinc/23/09/43/608230943.db2.gz CAKNQCKYPIEITC-MRXNPFEDSA-N -1 1 388.391 3.075 20 5 GGBDMM COc1cc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc(OC)c1C(C)C ZINC000826180890 609437935 /nfs/dbraw/zinc/43/79/35/609437935.db2.gz BLSDDAQZJBCOJO-UHFFFAOYSA-N -1 1 385.384 3.054 20 5 GGBDMM COc1cc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc(OC)c1C(C)C ZINC000826180890 609437938 /nfs/dbraw/zinc/43/79/38/609437938.db2.gz BLSDDAQZJBCOJO-UHFFFAOYSA-N -1 1 385.384 3.054 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2cccn2)c(F)c1 ZINC000054293626 1406684092 /nfs/dbraw/zinc/68/40/92/1406684092.db2.gz LPGSYTLBCSJRLM-UHFFFAOYSA-N -1 1 376.369 3.029 20 5 GGBDMM O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055315802 1406927981 /nfs/dbraw/zinc/92/79/81/1406927981.db2.gz IHQQMFHZSQBIHK-UHFFFAOYSA-N -1 1 397.431 3.224 20 5 GGBDMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000007054767 1398590989 /nfs/dbraw/zinc/59/09/89/1398590989.db2.gz ORDPFUAJONOQFK-UHFFFAOYSA-N -1 1 391.449 3.186 20 5 GGBDMM CCCc1nnc([N-]C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])s1 ZINC000010966830 1398937294 /nfs/dbraw/zinc/93/72/94/1398937294.db2.gz CRXUPRUEPVUOBC-UHFFFAOYSA-N -1 1 388.352 3.261 20 5 GGBDMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000011025342 1398945061 /nfs/dbraw/zinc/94/50/61/1398945061.db2.gz QIPNCZYJYARQOO-UHFFFAOYSA-N -1 1 375.720 3.417 20 5 GGBDMM CCc1cc2c(COC(=O)Cc3ccccc3[N+](=O)[O-])cc(=O)oc2cc1[O-] ZINC000011330828 1398971150 /nfs/dbraw/zinc/97/11/50/1398971150.db2.gz TZBIPYNBNNKWSA-UHFFFAOYSA-N -1 1 383.356 3.255 20 5 GGBDMM CCCCc1nnc([N-]C(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])s1 ZINC000019310168 1399329147 /nfs/dbraw/zinc/32/91/47/1399329147.db2.gz GIHABMQBJCRINZ-UHFFFAOYSA-N -1 1 380.426 3.449 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000055631649 1407030855 /nfs/dbraw/zinc/03/08/55/1407030855.db2.gz CDNULIOFZFANSR-KRWDZBQOSA-N -1 1 392.433 3.262 20 5 GGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000055631475 1407030896 /nfs/dbraw/zinc/03/08/96/1407030896.db2.gz RVOBKTOLZHETFG-KRWDZBQOSA-N -1 1 392.433 3.262 20 5 GGBDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000055633264 1407032489 /nfs/dbraw/zinc/03/24/89/1407032489.db2.gz ABVCCFNCXROGGZ-UHFFFAOYSA-N -1 1 394.449 3.257 20 5 GGBDMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000055643700 1407039291 /nfs/dbraw/zinc/03/92/91/1407039291.db2.gz UXVBILUJURLPII-UHFFFAOYSA-N -1 1 380.422 3.038 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000024429696 1399629843 /nfs/dbraw/zinc/62/98/43/1399629843.db2.gz WYAHQUXUBQFZQW-UHFFFAOYSA-N -1 1 392.311 3.303 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)cc1[N+](=O)[O-] ZINC000024576245 1399644717 /nfs/dbraw/zinc/64/47/17/1399644717.db2.gz HCAWQTKPPATGBB-UHFFFAOYSA-N -1 1 386.389 3.286 20 5 GGBDMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000055674416 1407051259 /nfs/dbraw/zinc/05/12/59/1407051259.db2.gz QGUKFSAWPWDUJN-UHFFFAOYSA-N -1 1 377.422 3.279 20 5 GGBDMM CC1CCN(c2ccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)cc2[N+](=O)[O-])CC1 ZINC000026254311 1399873803 /nfs/dbraw/zinc/87/38/03/1399873803.db2.gz NLNXEJNDQJGTRD-UHFFFAOYSA-N -1 1 398.345 3.220 20 5 GGBDMM CCOc1cc(C(=O)[N-]c2nnc(CC(C)C)s2)c([N+](=O)[O-])cc1OC ZINC000026767683 1399931427 /nfs/dbraw/zinc/93/14/27/1399931427.db2.gz ORCBSCDELISBHJ-UHFFFAOYSA-N -1 1 380.426 3.304 20 5 GGBDMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)cc1 ZINC000029433763 1400298884 /nfs/dbraw/zinc/29/88/84/1400298884.db2.gz FOTVMJLJRBQWGB-ZDUSSCGKSA-N -1 1 393.465 3.313 20 5 GGBDMM CC1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCCCC1 ZINC000044368534 1403925653 /nfs/dbraw/zinc/92/56/53/1403925653.db2.gz OVVDCWIREXDAOY-UHFFFAOYSA-N -1 1 377.260 3.358 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000044857837 1404013378 /nfs/dbraw/zinc/01/33/78/1404013378.db2.gz CHYPGACADGTANZ-MRXNPFEDSA-N -1 1 392.433 3.262 20 5 GGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)c1C ZINC000047211432 1404749117 /nfs/dbraw/zinc/74/91/17/1404749117.db2.gz CVALPSVIEMMURH-UHFFFAOYSA-N -1 1 386.433 3.257 20 5 GGBDMM CC(=CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942285 1426268829 /nfs/dbraw/zinc/26/88/29/1426268829.db2.gz AOWBWKQTMWEKOW-KXXVWKPMSA-N -1 1 378.392 3.056 20 5 GGBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000825674021 1426579795 /nfs/dbraw/zinc/57/97/95/1426579795.db2.gz FFZRBKJNNICYBI-UHFFFAOYSA-N -1 1 385.405 3.244 20 5 GGBDMM Cc1ccc([C@H](C)OC(=O)[C@@H](C)Oc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822230263 1428229846 /nfs/dbraw/zinc/22/98/46/1428229846.db2.gz AQAWERQDXMOXLM-QWHCGFSZSA-N -1 1 397.391 3.155 20 5 GGBDMM O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000057005101 1407497944 /nfs/dbraw/zinc/49/79/44/1407497944.db2.gz NPGFXSKCSUKXMD-UHFFFAOYSA-N -1 1 383.404 3.105 20 5 GGBDMM COCCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1F ZINC000057124203 1407527916 /nfs/dbraw/zinc/52/79/16/1407527916.db2.gz NRLFJJWWPIQDJX-UHFFFAOYSA-N -1 1 398.412 3.177 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2Cl)c([N+](=O)[O-])c1 ZINC000057785662 1407716326 /nfs/dbraw/zinc/71/63/26/1407716326.db2.gz RYRGIGZCNFAEQY-UHFFFAOYSA-N -1 1 399.812 3.016 20 5 GGBDMM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])s1 ZINC000821466430 1428260723 /nfs/dbraw/zinc/26/07/23/1428260723.db2.gz WQJZAFLUNSLLFT-UHFFFAOYSA-N -1 1 378.801 3.305 20 5 GGBDMM CCc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000821476954 1428271358 /nfs/dbraw/zinc/27/13/58/1428271358.db2.gz WIHWQEZCHUMDAH-UHFFFAOYSA-N -1 1 392.419 3.142 20 5 GGBDMM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1ccsc1 ZINC000061365511 1408115445 /nfs/dbraw/zinc/11/54/45/1408115445.db2.gz YJZLJGGHKJOPEG-QMMMGPOBSA-N -1 1 391.268 3.458 20 5 GGBDMM Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000063911580 1408443665 /nfs/dbraw/zinc/44/36/65/1408443665.db2.gz OUFPEJKHTYEQRW-UHFFFAOYSA-N -1 1 379.291 3.136 20 5 GGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N(C)C)c2)c1C ZINC000176526799 1428351375 /nfs/dbraw/zinc/35/13/75/1428351375.db2.gz GUUKUWMBTRDMTB-UHFFFAOYSA-N -1 1 391.449 3.023 20 5 GGBDMM COc1cc([N+](=O)[O-])c(C(=O)NCc2n[n-]c(=S)n2C(C)C)cc1SC ZINC000066639564 1408875895 /nfs/dbraw/zinc/87/58/95/1408875895.db2.gz LCAXRIZLZBYJME-UHFFFAOYSA-N -1 1 397.482 3.090 20 5 GGBDMM Cc1ccc([C@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1[N+](=O)[O-] ZINC000822229161 1428393942 /nfs/dbraw/zinc/39/39/42/1428393942.db2.gz OCEJLZCIPGMPAK-LBPRGKRZSA-N -1 1 381.396 3.274 20 5 GGBDMM CCn1c(C2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)n[n-]c1=S ZINC000068452637 1409406653 /nfs/dbraw/zinc/40/66/53/1409406653.db2.gz IWWZKJMJKODAHW-UHFFFAOYSA-N -1 1 375.454 3.197 20 5 GGBDMM CCn1c(C2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)n[n-]c1=S ZINC000068452835 1409407604 /nfs/dbraw/zinc/40/76/04/1409407604.db2.gz YKMNBWIIGFEVGS-UHFFFAOYSA-N -1 1 379.417 3.028 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ncccc2Br)ccc1Cl ZINC000091272291 1410071607 /nfs/dbraw/zinc/07/16/07/1410071607.db2.gz OTUOJBPPOISOPN-UHFFFAOYSA-N -1 1 392.618 3.207 20 5 GGBDMM CCC[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000176784554 1428459682 /nfs/dbraw/zinc/45/96/82/1428459682.db2.gz JLJPJZLTAUTPAI-HNNXBMFYSA-N -1 1 381.396 3.123 20 5 GGBDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])c(C)c3)cc2C[C@H]1C ZINC000093930774 1410287315 /nfs/dbraw/zinc/28/73/15/1410287315.db2.gz WHKLFSUZNNCNJC-GFCCVEGCSA-N -1 1 389.433 3.002 20 5 GGBDMM O=C([N-]c1ccc(F)c([N+](=O)[O-])c1)c1sccc1S(=O)(=O)C(F)F ZINC000108153103 1411443864 /nfs/dbraw/zinc/44/38/64/1411443864.db2.gz DQKYTTRBBNOYBC-UHFFFAOYSA-N -1 1 380.325 3.044 20 5 GGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1C(=O)NC(C)C ZINC000108762342 1411602260 /nfs/dbraw/zinc/60/22/60/1411602260.db2.gz LEHFCUKKVHJWOK-UHFFFAOYSA-N -1 1 391.449 3.151 20 5 GGBDMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1 ZINC000115312573 1412645234 /nfs/dbraw/zinc/64/52/34/1412645234.db2.gz DSEXGCCLEMIURC-UHFFFAOYSA-N -1 1 384.417 3.469 20 5 GGBDMM COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000115872490 1412805644 /nfs/dbraw/zinc/80/56/44/1412805644.db2.gz GSHPNDOJWKIYFY-UHFFFAOYSA-N -1 1 384.388 3.044 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)ccc1Cl ZINC000118161394 1413117675 /nfs/dbraw/zinc/11/76/75/1413117675.db2.gz UDDZCMSTLYAOMO-UHFFFAOYSA-N -1 1 396.787 3.374 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ncc(-c2ccccc2)o1 ZINC000119554452 1413484193 /nfs/dbraw/zinc/48/41/93/1413484193.db2.gz NOHAKBXPOHFFOQ-UHFFFAOYSA-N -1 1 393.808 3.382 20 5 GGBDMM CC(C)CC(=O)Nc1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000119651779 1413516320 /nfs/dbraw/zinc/51/63/20/1413516320.db2.gz UJKJLKNEDTUZEY-UHFFFAOYSA-N -1 1 397.478 3.119 20 5 GGBDMM Cc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000119960510 1413632925 /nfs/dbraw/zinc/63/29/25/1413632925.db2.gz MFIXDZNYDQRTHE-UHFFFAOYSA-N -1 1 378.378 3.045 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)cs1 ZINC000120214565 1413734029 /nfs/dbraw/zinc/73/40/29/1413734029.db2.gz FGKLWPLZBGONFN-CYBMUJFWSA-N -1 1 394.434 3.185 20 5 GGBDMM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1Br ZINC000120830009 1413918764 /nfs/dbraw/zinc/91/87/64/1413918764.db2.gz OVCOTAPLLKSCRB-UHFFFAOYSA-N -1 1 375.175 3.297 20 5 GGBDMM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000121194681 1414040429 /nfs/dbraw/zinc/04/04/29/1414040429.db2.gz PKXITTYRCKSKTD-IBGZPJMESA-N -1 1 399.428 3.066 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CCCO)c1ccccc1 ZINC000121392420 1414105568 /nfs/dbraw/zinc/10/55/68/1414105568.db2.gz OMTGQVXCPUHTIC-AWEZNQCLSA-N -1 1 384.841 3.040 20 5 GGBDMM CSc1ccc(C(=O)Nc2nc(Br)ccc2[O-])cc1[N+](=O)[O-] ZINC000121510065 1414156301 /nfs/dbraw/zinc/15/63/01/1414156301.db2.gz NNNACSMXSWLQID-UHFFFAOYSA-N -1 1 384.211 3.432 20 5 GGBDMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000121724200 1414237311 /nfs/dbraw/zinc/23/73/11/1414237311.db2.gz HPMZPEAWSJWDMZ-UHFFFAOYSA-N -1 1 385.405 3.163 20 5 GGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000122762722 1414558980 /nfs/dbraw/zinc/55/89/80/1414558980.db2.gz JOYWHXADHLZMIH-LBPRGKRZSA-N -1 1 377.784 3.032 20 5 GGBDMM C[C@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000122777473 1414561738 /nfs/dbraw/zinc/56/17/38/1414561738.db2.gz LAEAAWQKDRSQFT-IAQYHMDHSA-N -1 1 384.841 3.039 20 5 GGBDMM Cc1cccc2c(CC[N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])c[nH]c21 ZINC000177736570 1428846031 /nfs/dbraw/zinc/84/60/31/1428846031.db2.gz UFEOREYTBZMVGG-UHFFFAOYSA-N -1 1 377.397 3.045 20 5 GGBDMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000125447951 1415201129 /nfs/dbraw/zinc/20/11/29/1415201129.db2.gz QTXVMYQGGCUAGU-OAHLLOKOSA-N -1 1 378.388 3.175 20 5 GGBDMM Cc1ccc([C@@H](C)NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1[N+](=O)[O-] ZINC000177868175 1428878185 /nfs/dbraw/zinc/87/81/85/1428878185.db2.gz AFZZWUHEMGXLAU-GFCCVEGCSA-N -1 1 397.435 3.078 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000826497494 1428944217 /nfs/dbraw/zinc/94/42/17/1428944217.db2.gz JDFIVVMLDSVOJI-MRXNPFEDSA-N -1 1 393.451 3.409 20 5 GGBDMM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738164366 1428979890 /nfs/dbraw/zinc/97/98/90/1428979890.db2.gz XHULGEZAICUJBO-UHFFFAOYSA-N -1 1 379.163 3.334 20 5 GGBDMM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)Nc1ccccc1[N+](=O)[O-] ZINC000826420982 1428984785 /nfs/dbraw/zinc/98/47/85/1428984785.db2.gz MCMWLGHYAGLDKF-UHFFFAOYSA-N -1 1 390.812 3.159 20 5 GGBDMM O=C(C=Cc1cccs1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826403213 1428998308 /nfs/dbraw/zinc/99/83/08/1428998308.db2.gz MNRLLDCMRNTWRW-ONEGZZNKSA-N -1 1 376.785 3.142 20 5 GGBDMM COc1cccc(C2([N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)c1 ZINC000127710060 1415837316 /nfs/dbraw/zinc/83/73/16/1415837316.db2.gz CFQGWSUOKWHCNR-UHFFFAOYSA-N -1 1 382.825 3.224 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1csc(C2CC2)n1 ZINC000826451233 1429043418 /nfs/dbraw/zinc/04/34/18/1429043418.db2.gz WPJATPWQWXBCSW-UHFFFAOYSA-N -1 1 391.800 3.015 20 5 GGBDMM COc1ccc(C=C(Cl)c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1-c1nnn[n-]1 ZINC000737082679 1429065965 /nfs/dbraw/zinc/06/59/65/1429065965.db2.gz LCKZBFNEWBXAIZ-GHXNOFRVSA-N -1 1 397.782 3.397 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)cc([N+](=O)[O-])c1F ZINC000131807884 1416626070 /nfs/dbraw/zinc/62/60/70/1416626070.db2.gz DLSJPIZDFCKTMA-UHFFFAOYSA-N -1 1 394.409 3.362 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc(C2CC2)n3C)cc1[N+](=O)[O-] ZINC000131852726 1416635067 /nfs/dbraw/zinc/63/50/67/1416635067.db2.gz CSWOIBOYZPLVNW-UHFFFAOYSA-N -1 1 386.433 3.468 20 5 GGBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2cnco2)cc1 ZINC000132290827 1416730375 /nfs/dbraw/zinc/73/03/75/1416730375.db2.gz BKGIGFBNMITSRS-UHFFFAOYSA-N -1 1 377.353 3.498 20 5 GGBDMM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)C[C@@H](C)O1 ZINC000133278361 1416873470 /nfs/dbraw/zinc/87/34/70/1416873470.db2.gz HLXMTQYVUDZBPD-ZIAGYGMSSA-N -1 1 391.449 3.009 20 5 GGBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000133414295 1416887484 /nfs/dbraw/zinc/88/74/84/1416887484.db2.gz QETGFBNUWNXOPH-UHFFFAOYSA-N -1 1 385.785 3.141 20 5 GGBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])c2C)o1 ZINC000135402713 1417215450 /nfs/dbraw/zinc/21/54/50/1417215450.db2.gz BCMCYRQSPFGJHX-UHFFFAOYSA-N -1 1 380.357 3.135 20 5 GGBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)c2C)o1 ZINC000135402607 1417215503 /nfs/dbraw/zinc/21/55/03/1417215503.db2.gz KICBPSUMGVYEKN-UHFFFAOYSA-N -1 1 376.394 3.304 20 5 GGBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2C)o1 ZINC000135405763 1417216061 /nfs/dbraw/zinc/21/60/61/1417216061.db2.gz MCQTXNXKCRBFJR-UHFFFAOYSA-N -1 1 376.394 3.304 20 5 GGBDMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000135604107 1417244971 /nfs/dbraw/zinc/24/49/71/1417244971.db2.gz MMWIADIHHMZYJJ-UHFFFAOYSA-N -1 1 391.449 3.186 20 5 GGBDMM O=[N+]([O-])c1ccc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000826498620 1429175440 /nfs/dbraw/zinc/17/54/40/1429175440.db2.gz CWSDEAYLXZIKAU-QGZVFWFLSA-N -1 1 377.360 3.041 20 5 GGBDMM CC(=O)Nc1cccc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000146695788 1417728436 /nfs/dbraw/zinc/72/84/36/1417728436.db2.gz YJQMSBJOQDPKIB-SNVBAGLBSA-N -1 1 397.840 3.246 20 5 GGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000150926447 1417836664 /nfs/dbraw/zinc/83/66/64/1417836664.db2.gz BKYKSQDEOVTJHJ-NSHDSACASA-N -1 1 398.202 3.296 20 5 GGBDMM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000178922047 1429220823 /nfs/dbraw/zinc/22/08/23/1429220823.db2.gz UEALWGJGUBYTPW-LLVKDONJSA-N -1 1 382.825 3.188 20 5 GGBDMM Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822229559 1429244540 /nfs/dbraw/zinc/24/45/40/1429244540.db2.gz XGQVKOUBWSPFOI-CHWSQXEVSA-N -1 1 395.423 3.205 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000822270913 1429257548 /nfs/dbraw/zinc/25/75/48/1429257548.db2.gz CQHQGWWUPBLCOB-UHFFFAOYSA-N -1 1 382.380 3.123 20 5 GGBDMM CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccccc1-c1nnn[n-]1 ZINC000825830291 1429298792 /nfs/dbraw/zinc/29/87/92/1429298792.db2.gz SARAFUYLJHHFPP-UHFFFAOYSA-N -1 1 380.408 3.349 20 5 GGBDMM Cc1cc(F)ccc1-n1cc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)nn1 ZINC000179477275 1429388600 /nfs/dbraw/zinc/38/86/00/1429388600.db2.gz MGEAPUKDQBWULV-UHFFFAOYSA-N -1 1 377.282 3.154 20 5 GGBDMM CN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000825958289 1429422688 /nfs/dbraw/zinc/42/26/88/1429422688.db2.gz QHTQWTZGUAKXPQ-UHFFFAOYSA-N -1 1 390.350 3.008 20 5 GGBDMM O=[N+]([O-])c1cc(Cc2ccccc2)ccc1OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826497453 1429477583 /nfs/dbraw/zinc/47/75/83/1429477583.db2.gz HTOVBCQVAGNRAN-UHFFFAOYSA-N -1 1 388.387 3.340 20 5 GGBDMM O=C(CCCc1ccccc1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826406993 1429481490 /nfs/dbraw/zinc/48/14/90/1429481490.db2.gz WHWZJAPTBOTRPC-UHFFFAOYSA-N -1 1 386.799 3.390 20 5 GGBDMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(C)c([N+](=O)[O-])c3)ccc21 ZINC000153348216 1422483558 /nfs/dbraw/zinc/48/35/58/1422483558.db2.gz WDUQDUPLLHKYRD-UHFFFAOYSA-N -1 1 389.433 3.003 20 5 GGBDMM O=C([N-]c1nnc(C(F)F)s1)c1cc([N+](=O)[O-])ccc1Br ZINC000154830071 1423047996 /nfs/dbraw/zinc/04/79/96/1423047996.db2.gz LIFRJKXVXGTSFK-UHFFFAOYSA-N -1 1 379.142 3.399 20 5 GGBDMM COCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc21 ZINC000179888541 1429625406 /nfs/dbraw/zinc/62/54/06/1429625406.db2.gz IOTRDRPRPGBEGL-UHFFFAOYSA-N -1 1 389.433 3.305 20 5 GGBDMM O=[N+]([O-])c1cnc(Oc2ccc(C3SCCS3)cc2)c(-c2nnn[n-]2)c1 ZINC000823651938 1423331500 /nfs/dbraw/zinc/33/15/00/1423331500.db2.gz SDAVUOVRQAZESQ-UHFFFAOYSA-N -1 1 388.434 3.441 20 5 GGBDMM Cc1cc(F)ccc1N1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737270690 1423401136 /nfs/dbraw/zinc/40/11/36/1423401136.db2.gz OSRUGQODXVHFFS-CQSZACIVSA-N -1 1 397.414 3.303 20 5 GGBDMM CN(Cc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1-c1nnn[n-]1 ZINC000825986347 1423408189 /nfs/dbraw/zinc/40/81/89/1423408189.db2.gz ZPYKFDQEIIAMDK-UHFFFAOYSA-N -1 1 389.213 3.174 20 5 GGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000737264087 1423554734 /nfs/dbraw/zinc/55/47/34/1423554734.db2.gz NOAUATKAZDVSOR-UHFFFAOYSA-N -1 1 387.783 3.275 20 5 GGBDMM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826451923 1423639658 /nfs/dbraw/zinc/63/96/58/1423639658.db2.gz BNEFHNILGUKBEW-UHFFFAOYSA-N -1 1 395.766 3.229 20 5 GGBDMM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000822427839 1423663408 /nfs/dbraw/zinc/66/34/08/1423663408.db2.gz WYRTWBHUENJHAJ-UHFFFAOYSA-N -1 1 377.817 3.127 20 5 GGBDMM C[C@@]1(CCc2ccccc2)CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820612778 1429662691 /nfs/dbraw/zinc/66/26/91/1429662691.db2.gz JDULKRIDXBIACN-LJQANCHMSA-N -1 1 379.424 3.019 20 5 GGBDMM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000826293518 1423753694 /nfs/dbraw/zinc/75/36/94/1423753694.db2.gz RUOLKSVECKJGTL-GFCCVEGCSA-N -1 1 390.407 3.260 20 5 GGBDMM COc1ccc2oc([C@H](C)Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)c(C)c2c1 ZINC000737120344 1423866445 /nfs/dbraw/zinc/86/64/45/1423866445.db2.gz MCDXDBYMUBUZGN-JTQLQIEISA-N -1 1 395.379 3.406 20 5 GGBDMM CCOc1ccc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000736636011 1423924106 /nfs/dbraw/zinc/92/41/06/1423924106.db2.gz GJFPCPBZQMNNKI-LLVKDONJSA-N -1 1 383.364 3.092 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(Br)s1 ZINC000157117289 1423929389 /nfs/dbraw/zinc/92/93/89/1423929389.db2.gz FCKAVPXKXDFOML-UHFFFAOYSA-N -1 1 395.231 3.036 20 5 GGBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000157257845 1423968674 /nfs/dbraw/zinc/96/86/74/1423968674.db2.gz ZSVOPSXHWOHYDG-UHFFFAOYSA-N -1 1 390.339 3.320 20 5 GGBDMM CCc1ccsc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825734072 1424079440 /nfs/dbraw/zinc/07/94/40/1424079440.db2.gz JDMGTYDVFADJLC-UHFFFAOYSA-N -1 1 378.801 3.305 20 5 GGBDMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@H]2CCCC[C@@H]12 ZINC000824991610 1429717474 /nfs/dbraw/zinc/71/74/74/1429717474.db2.gz CVLRXPGTJGHXOJ-ZUCKAHLUSA-N -1 1 379.424 3.338 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCc3cc(F)ccc3F)cc(-c3nnn[n-]3)c2c1 ZINC000823645172 1424510481 /nfs/dbraw/zinc/51/04/81/1424510481.db2.gz OYMKBUZFMMMZQR-UHFFFAOYSA-N -1 1 383.318 3.213 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)cc1[N+](=O)[O-] ZINC000160761433 1424633690 /nfs/dbraw/zinc/63/36/90/1424633690.db2.gz MJHMWSBEAXNEJD-UHFFFAOYSA-N -1 1 391.449 3.128 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCOc1ccc2ccccc2c1 ZINC000823625197 1424683442 /nfs/dbraw/zinc/68/34/42/1424683442.db2.gz SRVOXZNKJIUKNQ-UHFFFAOYSA-N -1 1 391.391 3.204 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1ccc(Br)cc1 ZINC000738359385 1429748992 /nfs/dbraw/zinc/74/89/92/1429748992.db2.gz QLFLQWOIHWYJNT-UHFFFAOYSA-N -1 1 389.213 3.192 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cc(Br)cs1 ZINC000162213907 1424827336 /nfs/dbraw/zinc/82/73/36/1424827336.db2.gz NSCICNHPJRZWHR-UHFFFAOYSA-N -1 1 395.231 3.036 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]3c3ccccn3)cc(-c3nnn[n-]3)c2c1 ZINC000823645176 1424897790 /nfs/dbraw/zinc/89/77/90/1424897790.db2.gz OYWPVKJXORFAHH-QGZVFWFLSA-N -1 1 388.391 3.060 20 5 GGBDMM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ccc([N+](=O)[O-])cc1Cl ZINC000825609676 1424929414 /nfs/dbraw/zinc/92/94/14/1424929414.db2.gz QRDVLONENSBBCJ-UHFFFAOYSA-N -1 1 375.772 3.406 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000163346435 1424982729 /nfs/dbraw/zinc/98/27/29/1424982729.db2.gz NIXXPLLWKODMBV-XJKSGUPXSA-N -1 1 396.852 3.447 20 5 GGBDMM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)on1 ZINC000163362173 1424984703 /nfs/dbraw/zinc/98/47/03/1424984703.db2.gz AUBNUPZCILKSFC-UHFFFAOYSA-N -1 1 393.343 3.204 20 5 GGBDMM O=[N+]([O-])c1ccc(OCc2ccccc2-c2nnn[n-]2)c(Br)c1 ZINC000738367634 1425024273 /nfs/dbraw/zinc/02/42/73/1425024273.db2.gz WUOLYZOYMDGNRR-UHFFFAOYSA-N -1 1 376.170 3.116 20 5 GGBDMM CC(=CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823943484 1425053258 /nfs/dbraw/zinc/05/32/58/1425053258.db2.gz PVGGPZFCYHDIBS-XZHRJIJLSA-N -1 1 379.376 3.483 20 5 GGBDMM CCCO[C@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821127855 1425086582 /nfs/dbraw/zinc/08/65/82/1425086582.db2.gz MNXRUKPNTXAVJZ-AWEZNQCLSA-N -1 1 397.439 3.109 20 5 GGBDMM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccnc2ccccc21 ZINC000826451200 1425178468 /nfs/dbraw/zinc/17/84/68/1425178468.db2.gz VLRGYGVTLMZOEF-UHFFFAOYSA-N -1 1 395.766 3.229 20 5 GGBDMM O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826455146 1425249192 /nfs/dbraw/zinc/24/91/92/1425249192.db2.gz AWPPCPAXGAUDPN-UHFFFAOYSA-N -1 1 384.299 3.108 20 5 GGBDMM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000822427291 1425300185 /nfs/dbraw/zinc/30/01/85/1425300185.db2.gz IODSNQJRPZNUPP-UHFFFAOYSA-N -1 1 377.817 3.127 20 5 GGBDMM Cc1[nH]c2ccccc2c1CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000171087250 1425475771 /nfs/dbraw/zinc/47/57/71/1425475771.db2.gz BFGLCSWEPLOJKD-UHFFFAOYSA-N -1 1 377.397 3.045 20 5 GGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)c1C ZINC000171268195 1425585289 /nfs/dbraw/zinc/58/52/89/1425585289.db2.gz RXDVXJRFGNKXEP-UHFFFAOYSA-N -1 1 389.433 3.287 20 5 GGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCC(=O)N2 ZINC000171267665 1425585353 /nfs/dbraw/zinc/58/53/53/1425585353.db2.gz YCTSEUYSFOKBAJ-UHFFFAOYSA-N -1 1 389.433 3.233 20 5 GGBDMM CC(C)(NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000824165932 1425613758 /nfs/dbraw/zinc/61/37/58/1425613758.db2.gz CVTKMJPDNRIAOM-UHFFFAOYSA-N -1 1 386.799 3.093 20 5 GGBDMM CC(C)(C)OC(=O)Nc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000819945760 1425626850 /nfs/dbraw/zinc/62/68/50/1425626850.db2.gz CQACXLPNGKAJKA-UHFFFAOYSA-N -1 1 399.367 3.309 20 5 GGBDMM COc1ccc(C2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)cc1 ZINC000821786781 1425743545 /nfs/dbraw/zinc/74/35/45/1425743545.db2.gz JEFSREJKPXFOJE-UHFFFAOYSA-N -1 1 380.408 3.168 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2ccc(CNCc3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000738359727 1425745205 /nfs/dbraw/zinc/74/52/05/1425745205.db2.gz MVSDBCISRJHAER-UHFFFAOYSA-N -1 1 376.376 3.325 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2ccc(CNCc3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000738359727 1425745211 /nfs/dbraw/zinc/74/52/11/1425745211.db2.gz MVSDBCISRJHAER-UHFFFAOYSA-N -1 1 376.376 3.325 20 5 GGBDMM C[C@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000736161078 1425792262 /nfs/dbraw/zinc/79/22/62/1425792262.db2.gz VRQCPZIHBLHQTL-JTQLQIEISA-N -1 1 378.348 3.174 20 5 GGBDMM CC[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820919884 1425913229 /nfs/dbraw/zinc/91/32/29/1425913229.db2.gz HDABPHRTDICQSP-CQSZACIVSA-N -1 1 383.437 3.213 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Oc1ccc(F)c(Br)c1 ZINC000826497885 1425950120 /nfs/dbraw/zinc/95/01/20/1425950120.db2.gz XSGCCVDQCSBFTB-UHFFFAOYSA-N -1 1 380.133 3.469 20 5 GGBDMM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820570268 1425959390 /nfs/dbraw/zinc/95/93/90/1425959390.db2.gz FTKCNVDWJLPWOI-CQSZACIVSA-N -1 1 394.435 3.379 20 5 GGBDMM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820570268 1425959394 /nfs/dbraw/zinc/95/93/94/1425959394.db2.gz FTKCNVDWJLPWOI-CQSZACIVSA-N -1 1 394.435 3.379 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c1 ZINC000737369072 1426016662 /nfs/dbraw/zinc/01/66/62/1426016662.db2.gz QXAFBGZMRNGAAM-UHFFFAOYSA-N -1 1 394.435 3.382 20 5 GGBDMM C[C@@H]1CSCCN1c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000172373641 1426018370 /nfs/dbraw/zinc/01/83/70/1426018370.db2.gz SDARPYVXZBMEKZ-CYBMUJFWSA-N -1 1 393.490 3.337 20 5 GGBDMM Cc1csc([C@@H](C)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC000822409823 1426025824 /nfs/dbraw/zinc/02/58/24/1426025824.db2.gz VSBISKMPTWNSIW-SECBINFHSA-N -1 1 382.409 3.261 20 5 GGBDMM C[C@@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508543 1426082367 /nfs/dbraw/zinc/08/23/67/1426082367.db2.gz RDAXBIVSMIMQPV-SNVBAGLBSA-N -1 1 378.348 3.174 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2noc(CNc3ccc(-c4nn[n-]n4)cc3Cl)n2)cc1 ZINC000823635306 1426128754 /nfs/dbraw/zinc/12/87/54/1426128754.db2.gz VFKSHGZVLARTRK-UHFFFAOYSA-N -1 1 398.770 3.090 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1cccc(CCC(F)(F)F)c1 ZINC000823625099 1426157152 /nfs/dbraw/zinc/15/71/52/1426157152.db2.gz OVPFFMVAPKCCOT-UHFFFAOYSA-N -1 1 379.302 3.408 20 5 GGBDMM O=C(Cc1c[nH]c2ccccc12)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826421285 1426337795 /nfs/dbraw/zinc/33/77/95/1426337795.db2.gz AFLRRIBKOYVKOM-UHFFFAOYSA-N -1 1 397.782 3.091 20 5 GGBDMM O=[N+]([O-])c1cc(COc2ccc(Br)cc2-c2nnn[n-]2)cs1 ZINC000823634964 1426415875 /nfs/dbraw/zinc/41/58/75/1426415875.db2.gz OZIZSFXFFJXVQG-UHFFFAOYSA-N -1 1 382.199 3.178 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@@H](C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000826293480 1426468133 /nfs/dbraw/zinc/46/81/33/1426468133.db2.gz QRGLIHIUYJUVIS-QWHCGFSZSA-N -1 1 397.391 3.155 20 5 GGBDMM O=[N+]([O-])c1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(Cl)c1 ZINC000738367934 1426515165 /nfs/dbraw/zinc/51/51/65/1426515165.db2.gz XGFRUGCKTAUYMC-UHFFFAOYSA-N -1 1 399.754 3.057 20 5 GGBDMM COc1cccc([C@H]2C[C@H](C)CN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000826215549 1426572040 /nfs/dbraw/zinc/57/20/40/1426572040.db2.gz RYUKVOJAJZEOLX-KPZWWZAWSA-N -1 1 380.408 3.371 20 5 GGBDMM CC(=CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942588 1426601164 /nfs/dbraw/zinc/60/11/64/1426601164.db2.gz GTOYRJBOFGYLMH-UKVQZPPCSA-N -1 1 379.376 3.483 20 5 GGBDMM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738054697 1426793366 /nfs/dbraw/zinc/79/33/66/1426793366.db2.gz RUZZMFIDDDVNGJ-UHFFFAOYSA-N -1 1 399.386 3.058 20 5 GGBDMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173685264 1426820888 /nfs/dbraw/zinc/82/08/88/1426820888.db2.gz FLCAALVUBXCIIR-CQSZACIVSA-N -1 1 378.388 3.175 20 5 GGBDMM C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820494917 1426821658 /nfs/dbraw/zinc/82/16/58/1426821658.db2.gz CZPFJPIVNDDUMO-LLVKDONJSA-N -1 1 385.405 3.171 20 5 GGBDMM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Oc1ccccc1Cl ZINC000173711183 1426828645 /nfs/dbraw/zinc/82/86/45/1426828645.db2.gz MJNUWDBPCLIPNX-JTQLQIEISA-N -1 1 388.804 3.133 20 5 GGBDMM C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820380058 1426837432 /nfs/dbraw/zinc/83/74/32/1426837432.db2.gz KKMPRHPTLAMVEN-SECBINFHSA-N -1 1 387.787 3.311 20 5 GGBDMM O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2-c2nnn[n-]2)c(F)c1 ZINC000823643824 1426922764 /nfs/dbraw/zinc/92/27/64/1426922764.db2.gz CFDOSBHRAQUFSL-UHFFFAOYSA-N -1 1 380.133 3.469 20 5 GGBDMM CO[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000173987890 1426928522 /nfs/dbraw/zinc/92/85/22/1426928522.db2.gz KEIDNAJENCCHQA-CYBMUJFWSA-N -1 1 388.804 3.053 20 5 GGBDMM Cc1cccc([C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c2ccccn2)c1 ZINC000826297152 1426932274 /nfs/dbraw/zinc/93/22/74/1426932274.db2.gz XIMNBYPZRSBQRU-QGZVFWFLSA-N -1 1 388.391 3.075 20 5 GGBDMM CC(C)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000819984619 1427005197 /nfs/dbraw/zinc/00/51/97/1427005197.db2.gz ZJTWIOBQKQOUQG-UHFFFAOYSA-N -1 1 391.794 3.352 20 5 GGBDMM O=[N+]([O-])c1ccc(SCc2ccc(-c3nn[n-]n3)cc2Br)nc1 ZINC000826499803 1427034510 /nfs/dbraw/zinc/03/45/10/1427034510.db2.gz YDKPLEMOUBBPCP-UHFFFAOYSA-N -1 1 393.226 3.225 20 5 GGBDMM COc1ccc([C@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000826190150 1427216853 /nfs/dbraw/zinc/21/68/53/1427216853.db2.gz RAMWJWUKMJUFKC-MRXNPFEDSA-N -1 1 396.407 3.134 20 5 GGBDMM CSc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826230022 1427289432 /nfs/dbraw/zinc/28/94/32/1427289432.db2.gz AKUDGNGBAMLCFX-UHFFFAOYSA-N -1 1 390.812 3.403 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000738361191 1427327796 /nfs/dbraw/zinc/32/77/96/1427327796.db2.gz WIILTGHQQAZUAU-UHFFFAOYSA-N -1 1 399.754 3.057 20 5 GGBDMM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000822020770 1427374021 /nfs/dbraw/zinc/37/40/21/1427374021.db2.gz IRGGYHZKXBOFPT-UHFFFAOYSA-N -1 1 392.297 3.354 20 5 GGBDMM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000823303856 1427389250 /nfs/dbraw/zinc/38/92/50/1427389250.db2.gz XENAUXUMSPQCMT-UHFFFAOYSA-N -1 1 396.260 3.185 20 5 GGBDMM O=[N+]([O-])c1ccc(NCCc2ccc(Br)s2)cc1-c1nnn[n-]1 ZINC000826499084 1427418414 /nfs/dbraw/zinc/41/84/14/1427418414.db2.gz VCFFSRCXCDRMKQ-UHFFFAOYSA-N -1 1 395.242 3.254 20 5 GGBDMM O=[N+]([O-])c1ccc(N2CC[C@H](Oc3ccccc3Cl)C2)c(-c2nnn[n-]2)c1 ZINC000826499200 1427453469 /nfs/dbraw/zinc/45/34/69/1427453469.db2.gz ZMEDLVXOAJITIS-LBPRGKRZSA-N -1 1 386.799 3.086 20 5 GGBDMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000175000393 1427489383 /nfs/dbraw/zinc/48/93/83/1427489383.db2.gz DNTIONDQALULCB-UHFFFAOYSA-N -1 1 377.422 3.279 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCc1nc2c(s1)CCCC2 ZINC000738358501 1427504205 /nfs/dbraw/zinc/50/42/05/1427504205.db2.gz MNWKLUOJFKKJJM-UHFFFAOYSA-N -1 1 385.453 3.155 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826293347 1427610760 /nfs/dbraw/zinc/61/07/60/1427610760.db2.gz LSOBFPWLUSOCNM-KJJQSCHISA-N -1 1 379.376 3.401 20 5 GGBDMM Cc1ccc([C@@H](C)OC(=O)[C@H](C)Oc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822230262 1427652694 /nfs/dbraw/zinc/65/26/94/1427652694.db2.gz AQAWERQDXMOXLM-OLZOCXBDSA-N -1 1 397.391 3.155 20 5 GGBDMM CCCCS[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825296499 1427665700 /nfs/dbraw/zinc/66/57/00/1427665700.db2.gz MANFHPDHKCMEFD-MRVPVSSYSA-N -1 1 384.849 3.289 20 5 GGBDMM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000737968965 1427820627 /nfs/dbraw/zinc/82/06/27/1427820627.db2.gz MCUMELBCXFAHAO-UHFFFAOYSA-N -1 1 398.448 3.287 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1ccccc1Br ZINC000823629768 1427836348 /nfs/dbraw/zinc/83/63/48/1427836348.db2.gz GVYZTKVBZWLYPO-UHFFFAOYSA-N -1 1 379.199 3.084 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N3CCc4cccc(F)c4C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499782 1427872373 /nfs/dbraw/zinc/87/23/73/1427872373.db2.gz XGHVLFMWIIRBCP-UHFFFAOYSA-N -1 1 391.366 3.025 20 5 GGBDMM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000175890162 1427954129 /nfs/dbraw/zinc/95/41/29/1427954129.db2.gz OMPBCJLIZFKARN-UHFFFAOYSA-N -1 1 375.859 3.227 20 5 GGBDMM Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000180352236 1429843228 /nfs/dbraw/zinc/84/32/28/1429843228.db2.gz RUFFLIUOUADJTL-UHFFFAOYSA-N -1 1 386.433 3.073 20 5 GGBDMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000180560050 1429897786 /nfs/dbraw/zinc/89/77/86/1429897786.db2.gz OQQICSNCTSBLRZ-NSHDSACASA-N -1 1 396.325 3.041 20 5 GGBDMM Cc1ccc([C@@H]2OCCC[C@H]2CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000822233069 1429955676 /nfs/dbraw/zinc/95/56/76/1429955676.db2.gz HMNRTNBQQRBDTH-YOEHRIQHSA-N -1 1 395.423 3.058 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000823629918 1430008541 /nfs/dbraw/zinc/00/85/41/1430008541.db2.gz MALNKDUUPHHZEJ-UHFFFAOYSA-N -1 1 396.798 3.417 20 5 GGBDMM CN(Cc1ccccc1Br)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825980881 1430016201 /nfs/dbraw/zinc/01/62/01/1430016201.db2.gz KIEJVHJZVNCWPU-UHFFFAOYSA-N -1 1 389.213 3.174 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cc(Cl)ccc1OC(F)F ZINC000823624718 1430046142 /nfs/dbraw/zinc/04/61/42/1430046142.db2.gz GFUXCVVUYHFAFU-UHFFFAOYSA-N -1 1 397.729 3.037 20 5 GGBDMM O=[N+]([O-])c1ccc(OC(F)F)c(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826498942 1430115007 /nfs/dbraw/zinc/11/50/07/1430115007.db2.gz PJDQRTWCOPUKAV-UHFFFAOYSA-N -1 1 380.286 3.128 20 5 GGBDMM COc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1OC1CCCC1 ZINC000821839755 1430129026 /nfs/dbraw/zinc/12/90/26/1430129026.db2.gz XZNBGELZNACARG-UHFFFAOYSA-N -1 1 397.395 3.244 20 5 GGBDMM C[C@@]1(c2ccccc2)C[C@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820634799 1430138320 /nfs/dbraw/zinc/13/83/20/1430138320.db2.gz KATHWKWWOUPCTC-XLIONFOSSA-N -1 1 387.403 3.465 20 5 GGBDMM CCCCS[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825296500 1430153989 /nfs/dbraw/zinc/15/39/89/1430153989.db2.gz MANFHPDHKCMEFD-QMMMGPOBSA-N -1 1 384.849 3.289 20 5 GGBDMM COc1cccc(C2(CNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CCCC2)c1 ZINC000821864352 1430159676 /nfs/dbraw/zinc/15/96/76/1430159676.db2.gz XZAJTODXZWKMHT-UHFFFAOYSA-N -1 1 395.423 3.102 20 5 GGBDMM Cc1nn(C)c(C(=O)[N-]c2nc(Sc3ccc(C)cc3)ns2)c1[N+](=O)[O-] ZINC000181894204 1430379374 /nfs/dbraw/zinc/37/93/74/1430379374.db2.gz TYCGHQIIWGPVSF-UHFFFAOYSA-N -1 1 390.450 3.200 20 5 GGBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000183872222 1430807231 /nfs/dbraw/zinc/80/72/31/1430807231.db2.gz CHBYCELVHIPMNE-UHFFFAOYSA-N -1 1 389.433 3.287 20 5 GGBDMM C[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 ZINC000184607011 1430917808 /nfs/dbraw/zinc/91/78/08/1430917808.db2.gz UGYQPAHLLOCLAL-GFCCVEGCSA-N -1 1 394.453 3.206 20 5 GGBDMM COc1cc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1F ZINC000184867287 1431007390 /nfs/dbraw/zinc/00/73/90/1431007390.db2.gz CYYZGFVWFUCLDZ-UHFFFAOYSA-N -1 1 395.343 3.231 20 5 GGBDMM Cc1c(=O)[n-]c(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000185051440 1431049413 /nfs/dbraw/zinc/04/94/13/1431049413.db2.gz KMLKRPCPTWIUBN-UHFFFAOYSA-N -1 1 396.428 3.045 20 5 GGBDMM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000185866067 1431256490 /nfs/dbraw/zinc/25/64/90/1431256490.db2.gz FJVSBXPTSPEXIJ-LLVKDONJSA-N -1 1 380.426 3.065 20 5 GGBDMM O=C(NCc1ccccc1COCc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186932651 1431569867 /nfs/dbraw/zinc/56/98/67/1431569867.db2.gz BIELRXZYSVNLBC-UHFFFAOYSA-N -1 1 393.399 3.342 20 5 GGBDMM O=C(NCCOc1ccccc1-c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187025184 1431593969 /nfs/dbraw/zinc/59/39/69/1431593969.db2.gz UBXVZCUFBKHLDM-UHFFFAOYSA-N -1 1 379.372 3.171 20 5 GGBDMM O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187044638 1431598901 /nfs/dbraw/zinc/59/89/01/1431598901.db2.gz OOCAPVXQDDMHTM-CYBMUJFWSA-N -1 1 379.319 3.104 20 5 GGBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)ccc1F ZINC000191786746 1432725104 /nfs/dbraw/zinc/72/51/04/1432725104.db2.gz SZMAWAWUBMWQIL-UHFFFAOYSA-N -1 1 381.385 3.110 20 5 GGBDMM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191788802 1432725257 /nfs/dbraw/zinc/72/52/57/1432725257.db2.gz JENSLUKSXBOWSS-UHFFFAOYSA-N -1 1 391.449 3.023 20 5 GGBDMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000191788716 1432725417 /nfs/dbraw/zinc/72/54/17/1432725417.db2.gz RNXSGUBYVJBNKF-UHFFFAOYSA-N -1 1 377.422 3.279 20 5 GGBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1C(=O)N(C)C ZINC000191797696 1432727163 /nfs/dbraw/zinc/72/71/63/1432727163.db2.gz NGFZAYRFBFCYIM-UHFFFAOYSA-N -1 1 391.449 3.023 20 5 GGBDMM O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000191807389 1432729837 /nfs/dbraw/zinc/72/98/37/1432729837.db2.gz YQQUSLDKTUQWQS-LLVKDONJSA-N -1 1 397.218 3.011 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192268461 1432825130 /nfs/dbraw/zinc/82/51/30/1432825130.db2.gz OSWXNACBOYGKCC-BBRMVZONSA-N -1 1 396.852 3.304 20 5 GGBDMM Cc1nc(NC(=O)c2ccc([N+](=O)[O-])s2)sc1-c1n[n-]c(=S)n1C ZINC000192777598 1432889081 /nfs/dbraw/zinc/88/90/81/1432889081.db2.gz LBKOCYIYVSABFU-UHFFFAOYSA-N -1 1 382.452 3.132 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000193391043 1432989400 /nfs/dbraw/zinc/98/94/00/1432989400.db2.gz ZDHSCUXZSVLCNH-SFHVURJKSA-N -1 1 375.384 3.483 20 5 GGBDMM COc1ccccc1[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000193565695 1433020592 /nfs/dbraw/zinc/02/05/92/1433020592.db2.gz NQOKSAPMNVOHOV-SFHVURJKSA-N -1 1 379.372 3.223 20 5 GGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000193597959 1433026154 /nfs/dbraw/zinc/02/61/54/1433026154.db2.gz MKGRNOSXIAQOJL-UHFFFAOYSA-N -1 1 382.351 3.245 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000193685063 1433040540 /nfs/dbraw/zinc/04/05/40/1433040540.db2.gz FSSCEUYXUDHXPV-AWEZNQCLSA-N -1 1 395.375 3.113 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000193734482 1433049176 /nfs/dbraw/zinc/04/91/76/1433049176.db2.gz STJOSGVPZAAPHV-LLVKDONJSA-N -1 1 388.449 3.051 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000193983518 1433096150 /nfs/dbraw/zinc/09/61/50/1433096150.db2.gz BMFUKEYZSIDWTK-UHFFFAOYSA-N -1 1 377.422 3.004 20 5 GGBDMM COc1cccc(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)c1[N+](=O)[O-] ZINC000194317952 1433160663 /nfs/dbraw/zinc/16/06/63/1433160663.db2.gz SLALLTKPVINFHB-UHFFFAOYSA-N -1 1 388.380 3.437 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCSc2ccc(F)cc21 ZINC000194337499 1433163591 /nfs/dbraw/zinc/16/35/91/1433163591.db2.gz JTLLDNVLXDZGIK-LBPRGKRZSA-N -1 1 386.401 3.388 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCCOc1ccc(F)cc1 ZINC000194339172 1433163792 /nfs/dbraw/zinc/16/37/92/1433163792.db2.gz KYDRWSAUHWTOQH-UHFFFAOYSA-N -1 1 386.376 3.011 20 5 GGBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000194346152 1433164747 /nfs/dbraw/zinc/16/47/47/1433164747.db2.gz RKTUJPOQULZEBH-VIFPVBQESA-N -1 1 390.339 3.375 20 5 GGBDMM CC(C)(C)[S@](=O)Cc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000194633666 1433208544 /nfs/dbraw/zinc/20/85/44/1433208544.db2.gz YWMPQZVWHUVLFP-RUZDIDTESA-N -1 1 396.490 3.443 20 5 GGBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1[N+](=O)[O-] ZINC000194662640 1433212488 /nfs/dbraw/zinc/21/24/88/1433212488.db2.gz KIXINZWXYZQBGG-UHFFFAOYSA-N -1 1 389.748 3.405 20 5 GGBDMM C[C@@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194728366 1433221209 /nfs/dbraw/zinc/22/12/09/1433221209.db2.gz MZVCNPXGKGNUJX-JTQLQIEISA-N -1 1 395.437 3.253 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCC1CCOCC1 ZINC000194991508 1433277966 /nfs/dbraw/zinc/27/79/66/1433277966.db2.gz SFZVFJSEEQMYKR-UHFFFAOYSA-N -1 1 391.449 3.234 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)cc1[N+](=O)[O-] ZINC000195448962 1433330961 /nfs/dbraw/zinc/33/09/61/1433330961.db2.gz BODFRTWNVIPCPG-UHFFFAOYSA-N -1 1 390.421 3.335 20 5 GGBDMM COc1cc(CN2CCC[C@@H](CCC(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000263026271 1433978715 /nfs/dbraw/zinc/97/87/15/1433978715.db2.gz AQPAJUNXYKAASG-NSHDSACASA-N -1 1 388.367 3.282 20 5 GGBDMM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000263708427 1434023863 /nfs/dbraw/zinc/02/38/63/1434023863.db2.gz DAMYQTONQGAELU-UHFFFAOYSA-N -1 1 393.403 3.105 20 5 GGBDMM CSc1nc(C)c(CCC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c(=O)[n-]1 ZINC000268253686 1434505154 /nfs/dbraw/zinc/50/51/54/1434505154.db2.gz PVRVWMKPQKZIFX-UHFFFAOYSA-N -1 1 396.856 3.023 20 5 GGBDMM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000269061970 1434586885 /nfs/dbraw/zinc/58/68/85/1434586885.db2.gz QLNAWPSGNGLXHQ-UHFFFAOYSA-N -1 1 391.287 3.020 20 5 GGBDMM O=c1nc(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)[nH]c2scc(C3CC3)c21 ZINC000273706835 1435006833 /nfs/dbraw/zinc/00/68/33/1435006833.db2.gz HHGRAQWOVXIRKI-UHFFFAOYSA-N -1 1 384.377 3.151 20 5 GGBDMM O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000274365374 1435065565 /nfs/dbraw/zinc/06/55/65/1435065565.db2.gz NJZVSVKOMXJTGB-UHFFFAOYSA-N -1 1 380.408 3.084 20 5 GGBDMM Cc1nn(C)c(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)c1[N+](=O)[O-] ZINC000277632851 1435317885 /nfs/dbraw/zinc/31/78/85/1435317885.db2.gz RNPFWCNJQFBOCR-CYBMUJFWSA-N -1 1 398.448 3.209 20 5 GGBDMM CCC(=O)c1ccc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000281710374 1435819100 /nfs/dbraw/zinc/81/91/00/1435819100.db2.gz CJIWKXJYHWLHLQ-UHFFFAOYSA-N -1 1 387.358 3.082 20 5 GGBDMM CSc1nc(C)c(CCC(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)c(=O)[n-]1 ZINC000282580487 1435852405 /nfs/dbraw/zinc/85/24/05/1435852405.db2.gz ZOLBRCREQPIXJK-UHFFFAOYSA-N -1 1 380.401 3.140 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822271263 1441462747 /nfs/dbraw/zinc/46/27/47/1441462747.db2.gz UAAPURYSTUYMAI-UHFFFAOYSA-N -1 1 392.297 3.354 20 5 GGBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1Br ZINC000820461670 1441476053 /nfs/dbraw/zinc/47/60/53/1441476053.db2.gz PGYMJCIYPVZKGD-QMMMGPOBSA-N -1 1 390.201 3.106 20 5 GGBDMM Cn1c2ccc(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])cc2nc1C1CC1 ZINC000826355422 1441550799 /nfs/dbraw/zinc/55/07/99/1441550799.db2.gz YRJMNLAYRHLMSL-UHFFFAOYSA-N -1 1 376.380 3.283 20 5 GGBDMM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000823071062 1441576152 /nfs/dbraw/zinc/57/61/52/1441576152.db2.gz ZJOROJMWUDYMMU-UHFFFAOYSA-N -1 1 390.812 3.159 20 5 GGBDMM C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820557004 1441617567 /nfs/dbraw/zinc/61/75/67/1441617567.db2.gz XELHJCUJPHJCOF-NEPJUHHUSA-N -1 1 398.448 3.133 20 5 GGBDMM CC[C@@H](C)COc1cc([N+](=O)[O-])c(Cn2ccc(-c3nnn[n-]3)c2)cc1OC ZINC000825067519 1441641639 /nfs/dbraw/zinc/64/16/39/1441641639.db2.gz LBZCMHOCKFRLSV-GFCCVEGCSA-N -1 1 386.412 3.058 20 5 GGBDMM Cc1ccc(-c2nc(CNc3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)co2)cc1 ZINC000822214197 1441643057 /nfs/dbraw/zinc/64/30/57/1441643057.db2.gz UBHPXQVLDZMQOI-UHFFFAOYSA-N -1 1 377.364 3.350 20 5 GGBDMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@@H]2CCCC[C@H]21 ZINC000824991607 1441720766 /nfs/dbraw/zinc/72/07/66/1441720766.db2.gz CVLRXPGTJGHXOJ-BTJLNZGRSA-N -1 1 379.424 3.338 20 5 GGBDMM O=[N+]([O-])c1cc(N2CCC[C@@H](c3nc4ccccc4o3)C2)ccc1-c1nnn[n-]1 ZINC000823634527 1441748123 /nfs/dbraw/zinc/74/81/23/1441748123.db2.gz JPCOCNUOHKFRMQ-GFCCVEGCSA-N -1 1 391.391 3.300 20 5 GGBDMM O=C(OCc1ccccc1-c1nnn[n-]1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826466967 1441760119 /nfs/dbraw/zinc/76/01/19/1441760119.db2.gz BHEZZQQPUCUPFR-UHFFFAOYSA-N -1 1 393.281 3.151 20 5 GGBDMM Cc1ccc(NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)c([N+](=O)[O-])c1 ZINC000826291865 1441812896 /nfs/dbraw/zinc/81/28/96/1441812896.db2.gz ZFBOFNMRESFVFC-UHFFFAOYSA-N -1 1 379.424 3.164 20 5 GGBDMM O=[N+]([O-])c1ccc(N2CCc3ccc(Br)cc32)c(-c2nnn[n-]2)c1 ZINC000738370916 1441885706 /nfs/dbraw/zinc/88/57/06/1441885706.db2.gz SLCJTZXVSKQBJS-UHFFFAOYSA-N -1 1 387.197 3.232 20 5 GGBDMM O=[N+]([O-])c1ccc(Oc2cc(Cl)cnc2Br)c(-c2nn[n-]n2)c1 ZINC000826499439 1441970434 /nfs/dbraw/zinc/97/04/34/1441970434.db2.gz IWMUJYSPJFKSCD-UHFFFAOYSA-N -1 1 397.576 3.378 20 5 GGBDMM O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823070721 1441987496 /nfs/dbraw/zinc/98/74/96/1441987496.db2.gz KZYUGOVIZCGSCT-UHFFFAOYSA-N -1 1 390.812 3.159 20 5 GGBDMM COc1ccc(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826203901 1442026585 /nfs/dbraw/zinc/02/65/85/1442026585.db2.gz LFFWHQVLVLBTAB-UHFFFAOYSA-N -1 1 394.313 3.414 20 5 GGBDMM Cc1cccc([N+](=O)[O-])c1OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826304323 1442031610 /nfs/dbraw/zinc/03/16/10/1442031610.db2.gz GRTKRHAUWYUWEQ-UHFFFAOYSA-N -1 1 397.391 3.238 20 5 GGBDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000820455433 1442035793 /nfs/dbraw/zinc/03/57/93/1442035793.db2.gz IOGZYXGTVOEJKS-GFCCVEGCSA-N -1 1 376.380 3.134 20 5 GGBDMM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000738173869 1442094256 /nfs/dbraw/zinc/09/42/56/1442094256.db2.gz UYEPXQPPCLEODT-UHFFFAOYSA-N -1 1 391.347 3.148 20 5 GGBDMM Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822229178 1442127005 /nfs/dbraw/zinc/12/70/05/1442127005.db2.gz OKIHFPWYTSXMIW-QWHCGFSZSA-N -1 1 395.423 3.205 20 5 GGBDMM O=[N+]([O-])c1ccc(OC(F)F)c(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000823645610 1442127935 /nfs/dbraw/zinc/12/79/35/1442127935.db2.gz VCKMOQWIVCSBOJ-UHFFFAOYSA-N -1 1 380.286 3.128 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826293302 1442149095 /nfs/dbraw/zinc/14/90/95/1442149095.db2.gz KKZYXVYWXBRBLP-CYBMUJFWSA-N -1 1 381.392 3.320 20 5 GGBDMM Cc1cc(NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)ccc1[N+](=O)[O-] ZINC000826271619 1442177013 /nfs/dbraw/zinc/17/70/13/1442177013.db2.gz ZDQPKIVRYYZFJZ-UHFFFAOYSA-N -1 1 379.424 3.164 20 5 GGBDMM CCOCCOc1cc(C)ccc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821384287 1442213460 /nfs/dbraw/zinc/21/34/60/1442213460.db2.gz SOZXFNCUPYHXIX-UHFFFAOYSA-N -1 1 398.423 3.111 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCCOc1ccc(Cl)cc1 ZINC000823624774 1442226863 /nfs/dbraw/zinc/22/68/63/1442226863.db2.gz JAFHCANMDXIEPY-UHFFFAOYSA-N -1 1 389.803 3.094 20 5 GGBDMM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000826420875 1442242696 /nfs/dbraw/zinc/24/26/96/1442242696.db2.gz HEJBYIZQOQKPAE-UHFFFAOYSA-N -1 1 375.797 3.403 20 5 GGBDMM O=[N+]([O-])c1ccc(NCCCc2nc3c(s2)CCCC3)c(-c2nnn[n-]2)c1 ZINC000738370850 1442266508 /nfs/dbraw/zinc/26/65/08/1442266508.db2.gz QZODCDYOKPPLOW-UHFFFAOYSA-N -1 1 385.453 3.155 20 5 GGBDMM C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000736160125 1442377329 /nfs/dbraw/zinc/37/73/29/1442377329.db2.gz PKZRWKNBGCKJBI-JTQLQIEISA-N -1 1 379.332 3.439 20 5 GGBDMM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1-c1nnn[n-]1 ZINC000826421240 1442395273 /nfs/dbraw/zinc/39/52/73/1442395273.db2.gz YLTQTGLJOLBZCM-UHFFFAOYSA-N -1 1 390.812 3.159 20 5 GGBDMM C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000824612231 1442412057 /nfs/dbraw/zinc/41/20/57/1442412057.db2.gz LDVRBWIEPDLSFE-VIFPVBQESA-N -1 1 376.779 3.418 20 5 GGBDMM Cc1cc(Br)ccc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737231615 1442436189 /nfs/dbraw/zinc/43/61/89/1442436189.db2.gz QYWCETHVFUGXIE-UHFFFAOYSA-N -1 1 389.213 3.458 20 5 GGBDMM CCOc1cc(CCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1OC ZINC000736624528 1443088462 /nfs/dbraw/zinc/08/84/62/1443088462.db2.gz BKXOTYINMBVVNP-UHFFFAOYSA-N -1 1 398.423 3.227 20 5 GGBDMM Cc1nn(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc12 ZINC000826334831 1443125246 /nfs/dbraw/zinc/12/52/46/1443125246.db2.gz LGCLCMMLPUJGHD-UHFFFAOYSA-N -1 1 398.814 3.180 20 5 GGBDMM Cc1nnc(SCc2ccc(Cl)c([N+](=O)[O-])c2)c(-c2nnn[n-]2)c1C ZINC000826337381 1443259911 /nfs/dbraw/zinc/25/99/11/1443259911.db2.gz MUHQPGIVVFODHN-UHFFFAOYSA-N -1 1 377.817 3.127 20 5 GGBDMM O=[N+]([O-])c1ccc(CCCCNc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000738359060 1443270133 /nfs/dbraw/zinc/27/01/33/1443270133.db2.gz IZQNSTREKDRFQO-UHFFFAOYSA-N -1 1 379.833 3.320 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000823620206 1443311818 /nfs/dbraw/zinc/31/18/18/1443311818.db2.gz IFSQDWDVXRUDPS-UHFFFAOYSA-N -1 1 390.407 3.035 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(N2CCCCCC2)cc1 ZINC000823624751 1443341197 /nfs/dbraw/zinc/34/11/97/1443341197.db2.gz IFNNPIYOZDTAHA-UHFFFAOYSA-N -1 1 380.412 3.294 20 5 GGBDMM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)ccc1F ZINC000826260424 1443381698 /nfs/dbraw/zinc/38/16/98/1443381698.db2.gz NNIRGVQYGAOMRH-UHFFFAOYSA-N -1 1 376.735 3.128 20 5 GGBDMM CC[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1ccccc1Cl ZINC000820908741 1443382611 /nfs/dbraw/zinc/38/26/11/1443382611.db2.gz PVBQQPJXULTARG-SNVBAGLBSA-N -1 1 389.803 3.093 20 5 GGBDMM CC(C)(C)c1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC000819957565 1443396336 /nfs/dbraw/zinc/39/63/36/1443396336.db2.gz BEUZVWFLBUTHQK-UHFFFAOYSA-N -1 1 398.398 3.142 20 5 GGBDMM Cc1cc(NCc2cc(-c3nnn[n-]3)ccc2F)c2cccc([N+](=O)[O-])c2n1 ZINC000826271416 1443418721 /nfs/dbraw/zinc/41/87/21/1443418721.db2.gz QGDNPKGHJMOJIB-UHFFFAOYSA-N -1 1 379.355 3.383 20 5 GGBDMM O=[N+]([O-])c1ccc(NCCNc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)cc1 ZINC000738369664 1443422601 /nfs/dbraw/zinc/42/26/01/1443422601.db2.gz LMUNSQXSNIIMKC-UHFFFAOYSA-N -1 1 393.329 3.318 20 5 GGBDMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3CC[C@H](C)[C@H]3C)c2)[C@H]1C ZINC000820728836 1443444401 /nfs/dbraw/zinc/44/44/01/1443444401.db2.gz ZDBFGEKMFQHTGN-ZOBORPQBSA-N -1 1 385.472 3.244 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2cnn(CCCOc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000738361211 1443498123 /nfs/dbraw/zinc/49/81/23/1443498123.db2.gz WNGOHIXXAYFMJF-UHFFFAOYSA-N -1 1 391.391 3.108 20 5 GGBDMM O=[N+]([O-])c1ccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000826498619 1443508766 /nfs/dbraw/zinc/50/87/66/1443508766.db2.gz CWSDEAYLXZIKAU-KRWDZBQOSA-N -1 1 377.360 3.041 20 5 GGBDMM COc1cc(F)c([C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1OC ZINC000737053223 1443509792 /nfs/dbraw/zinc/50/97/92/1443509792.db2.gz FZQRENVFTIGXON-VIFPVBQESA-N -1 1 388.359 3.104 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N[C@H](CCO)C3CCCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645504 1443600480 /nfs/dbraw/zinc/60/04/80/1443600480.db2.gz RVTFKUSZNXYJQC-MRXNPFEDSA-N -1 1 397.439 3.066 20 5 GGBDMM C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820351405 1443723464 /nfs/dbraw/zinc/72/34/64/1443723464.db2.gz OLBFFDRLSUWYDE-GFCCVEGCSA-N -1 1 395.423 3.070 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCc3ccc(F)c(F)c3)cc(-c3nnn[n-]3)c2c1 ZINC000823645980 1443724194 /nfs/dbraw/zinc/72/41/94/1443724194.db2.gz YXEGHPLJOMCSEE-UHFFFAOYSA-N -1 1 383.318 3.213 20 5 GGBDMM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000735660603 1443725855 /nfs/dbraw/zinc/72/58/55/1443725855.db2.gz DXEGJVUUWFRMKP-UHFFFAOYSA-N -1 1 389.803 3.237 20 5 GGBDMM O=[N+]([O-])c1cc(N2CCC(OCCc3ccccc3)CC2)ccc1-c1nnn[n-]1 ZINC000826498175 1443763516 /nfs/dbraw/zinc/76/35/16/1443763516.db2.gz JYWPCKPQOWKBLZ-UHFFFAOYSA-N -1 1 394.435 3.003 20 5 GGBDMM O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1sccc1-c1nnn[n-]1 ZINC000826455479 1443819157 /nfs/dbraw/zinc/81/91/57/1443819157.db2.gz PTSHKIIZEQIFIQ-UHFFFAOYSA-N -1 1 384.299 3.108 20 5 GGBDMM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823066096 1443842011 /nfs/dbraw/zinc/84/20/11/1443842011.db2.gz LOTUFZBIJYHYRM-UHFFFAOYSA-N -1 1 390.812 3.159 20 5 GGBDMM C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000736160127 1443982256 /nfs/dbraw/zinc/98/22/56/1443982256.db2.gz PKZRWKNBGCKJBI-SNVBAGLBSA-N -1 1 379.332 3.439 20 5 GGBDMM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cccc2cccnc21 ZINC000826451301 1443988032 /nfs/dbraw/zinc/98/80/32/1443988032.db2.gz ZVULYXRNGOYGLC-UHFFFAOYSA-N -1 1 395.766 3.229 20 5 GGBDMM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N(C)Cc1ccccc1[N+](=O)[O-] ZINC000737264531 1444001523 /nfs/dbraw/zinc/00/15/23/1444001523.db2.gz SEKRYBAMBVLVMI-UHFFFAOYSA-N -1 1 393.382 3.407 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)c(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000823640083 1446116163 /nfs/dbraw/zinc/11/61/63/1446116163.db2.gz RJSMORNTWFTSQD-UHFFFAOYSA-N -1 1 399.720 3.454 20 5 GGBDMM COc1ccc(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1-c1nnn[n-]1 ZINC000826192809 1446133897 /nfs/dbraw/zinc/13/38/97/1446133897.db2.gz CIKBNXGNHJODHE-UHFFFAOYSA-N -1 1 388.815 3.069 20 5 GGBDMM O=[N+]([O-])c1cnc(Oc2ccc(Br)cc2Cl)c(-c2nnn[n-]2)c1 ZINC000823650892 1446417073 /nfs/dbraw/zinc/41/70/73/1446417073.db2.gz CYFQVTJUPYUCFC-UHFFFAOYSA-N -1 1 397.576 3.378 20 5 GGBDMM Cc1ccc(-c2nc(CNc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])co2)cc1 ZINC000822214147 1446494398 /nfs/dbraw/zinc/49/43/98/1446494398.db2.gz RCUGLKNWGONLEU-UHFFFAOYSA-N -1 1 377.364 3.350 20 5 GGBDMM O=[N+]([O-])c1cccc([C@@H](O)CSc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826499683 1446524751 /nfs/dbraw/zinc/52/47/51/1446524751.db2.gz SECFMNRIZBOKRR-ZDUSSCGKSA-N -1 1 377.813 3.254 20 5 GGBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000825674063 1446535595 /nfs/dbraw/zinc/53/55/95/1446535595.db2.gz HHTQXWOMJRELQV-UHFFFAOYSA-N -1 1 384.421 3.448 20 5 GGBDMM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000826459706 1446561414 /nfs/dbraw/zinc/56/14/14/1446561414.db2.gz VWXHQAIGDLZQKB-UHFFFAOYSA-N -1 1 393.388 3.151 20 5 GGBDMM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000736679201 1446707088 /nfs/dbraw/zinc/70/70/88/1446707088.db2.gz NZVZHEAVNNYPPX-UHFFFAOYSA-N -1 1 392.828 3.233 20 5 GGBDMM COC(=O)C=Cc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000821657749 1446733095 /nfs/dbraw/zinc/73/30/95/1446733095.db2.gz VGEOIDRIJWWRSQ-CRALRDPISA-N -1 1 394.391 3.134 20 5 GGBDMM Cc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1OCC(F)F ZINC000737360886 1446828057 /nfs/dbraw/zinc/82/80/57/1446828057.db2.gz DAASKXXRJKDHNT-UHFFFAOYSA-N -1 1 376.323 3.471 20 5 GGBDMM Cc1cc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1OC1CCOCC1 ZINC000737280588 1446856186 /nfs/dbraw/zinc/85/61/86/1446856186.db2.gz MUUUJJFYCYPLBD-UHFFFAOYSA-N -1 1 396.407 3.385 20 5 GGBDMM O=[N+]([O-])c1cnc(Sc2nc(-c3ccccc3)cs2)c(-c2nn[n-]n2)c1 ZINC000823650827 1446883442 /nfs/dbraw/zinc/88/34/42/1446883442.db2.gz BPXZULYCROPNOD-UHFFFAOYSA-N -1 1 383.418 3.445 20 5 GGBDMM Cc1cc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1OC1CCOCC1 ZINC000737280557 1446921876 /nfs/dbraw/zinc/92/18/76/1446921876.db2.gz MKJKKDHNYJOWOS-UHFFFAOYSA-N -1 1 396.407 3.385 20 5 GGBDMM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000823319410 1446959123 /nfs/dbraw/zinc/95/91/23/1446959123.db2.gz UOIKYMGVZHSKNU-UHFFFAOYSA-N -1 1 379.163 3.334 20 5 GGBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736193472 1446959882 /nfs/dbraw/zinc/95/98/82/1446959882.db2.gz RGVLHBNRABMQDY-SECBINFHSA-N -1 1 388.384 3.033 20 5 GGBDMM CC(=O)N(Cc1ccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1)C(C)C ZINC000735461886 1446969121 /nfs/dbraw/zinc/96/91/21/1446969121.db2.gz SRUHXOFOXTWOSR-UHFFFAOYSA-N -1 1 395.423 3.275 20 5 GGBDMM O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2C1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823546671 1446974893 /nfs/dbraw/zinc/97/48/93/1446974893.db2.gz CYYKFKFNFQONSV-XCVCLJGOSA-N -1 1 386.730 3.060 20 5 GGBDMM CC(C)c1ncc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)s1 ZINC000824364366 1447040815 /nfs/dbraw/zinc/04/08/15/1447040815.db2.gz CMHMBPPIWNSONY-UHFFFAOYSA-N -1 1 393.816 3.261 20 5 GGBDMM CCCNc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000821118203 1447045955 /nfs/dbraw/zinc/04/59/55/1447045955.db2.gz ILCXGBQCQQZBLF-UHFFFAOYSA-N -1 1 395.423 3.168 20 5 GGBDMM CN1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000826029944 1447105695 /nfs/dbraw/zinc/10/56/95/1447105695.db2.gz YJPZYXMDCZDQIZ-NVXWUHKLSA-N -1 1 399.842 3.286 20 5 GGBDMM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c(C)s1 ZINC000826260264 1447119040 /nfs/dbraw/zinc/11/90/40/1447119040.db2.gz DYEFCUBYCYVIIS-UHFFFAOYSA-N -1 1 378.801 3.359 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000826293693 1447142522 /nfs/dbraw/zinc/14/25/22/1447142522.db2.gz YPGGTACFWBZMHO-UHFFFAOYSA-N -1 1 395.423 3.280 20 5 GGBDMM COC(=O)C=Cc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000821657750 1447183446 /nfs/dbraw/zinc/18/34/46/1447183446.db2.gz VGEOIDRIJWWRSQ-UPZNUWHASA-N -1 1 394.391 3.134 20 5 GGBDMM C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1nc(-c2ccccc2)no1 ZINC000824436557 1447189266 /nfs/dbraw/zinc/18/92/66/1447189266.db2.gz UGPAYCKJYBABFY-NSHDSACASA-N -1 1 392.379 3.041 20 5 GGBDMM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000737294804 1447233031 /nfs/dbraw/zinc/23/30/31/1447233031.db2.gz QGMRXSHXBUJAKR-UHFFFAOYSA-N -1 1 395.423 3.228 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCCSCC(F)(F)F)cc(-c3nnn[n-]3)c2c1 ZINC000826499624 1447298099 /nfs/dbraw/zinc/29/80/99/1447298099.db2.gz QCPPRUFTLXWCNN-UHFFFAOYSA-N -1 1 399.358 3.031 20 5 GGBDMM Cc1ccc([C@@H](C)OC(=O)[C@@H](C)Oc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822230261 1449084608 /nfs/dbraw/zinc/08/46/08/1449084608.db2.gz AQAWERQDXMOXLM-CHWSQXEVSA-N -1 1 397.391 3.155 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N3CC=C(C(F)(F)F)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000826499347 1449124425 /nfs/dbraw/zinc/12/44/25/1449124425.db2.gz FNRHQWSOZYTAJU-UHFFFAOYSA-N -1 1 391.313 3.022 20 5 GGBDMM O=[N+]([O-])c1ccc(CCCCNC(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000738359023 1449202833 /nfs/dbraw/zinc/20/28/33/1449202833.db2.gz ILIDLXNFWVSSTC-UHFFFAOYSA-N -1 1 397.464 3.084 20 5 GGBDMM Cc1sc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c(-c2nn[n-]n2)c1C ZINC000826349993 1449203851 /nfs/dbraw/zinc/20/38/51/1449203851.db2.gz CMCVIWKTKPOZGL-UHFFFAOYSA-N -1 1 378.801 3.359 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1nc2ccccc2n1C(F)F ZINC000823630123 1449255227 /nfs/dbraw/zinc/25/52/27/1449255227.db2.gz SEWXUTWKCUWLJP-UHFFFAOYSA-N -1 1 390.335 3.066 20 5 GGBDMM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736136784 1449274277 /nfs/dbraw/zinc/27/42/77/1449274277.db2.gz HLAFHWPZJJAGSI-QMMMGPOBSA-N -1 1 384.787 3.478 20 5 GGBDMM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1cccc(O)c1 ZINC000820449945 1449277963 /nfs/dbraw/zinc/27/79/63/1449277963.db2.gz FAECKMFDSITOIO-JTQLQIEISA-N -1 1 377.364 3.202 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826497457 1449289170 /nfs/dbraw/zinc/28/91/70/1449289170.db2.gz HTQUPOHXCPJZHG-SUMWQHHRSA-N -1 1 380.408 3.355 20 5 GGBDMM O=[N+]([O-])c1ccc(N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000826498587 1449309796 /nfs/dbraw/zinc/30/97/96/1449309796.db2.gz BLARKTPUFQDVHW-UGSOOPFHSA-N -1 1 380.408 3.355 20 5 GGBDMM Cn1c2ccccc2nc1[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822596177 1449345182 /nfs/dbraw/zinc/34/51/82/1449345182.db2.gz IJAAQKBUJGYRJR-MRXNPFEDSA-N -1 1 390.407 3.003 20 5 GGBDMM CC(C)Oc1ccc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000820160656 1449505568 /nfs/dbraw/zinc/50/55/68/1449505568.db2.gz OWPVVQCQBSMERV-YHYXMXQVSA-N -1 1 394.391 3.214 20 5 GGBDMM C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820494919 1449571734 /nfs/dbraw/zinc/57/17/34/1449571734.db2.gz CZPFJPIVNDDUMO-NSHDSACASA-N -1 1 385.405 3.171 20 5 GGBDMM O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000826417792 1449746494 /nfs/dbraw/zinc/74/64/94/1449746494.db2.gz GIPNLBUJODCACE-UHFFFAOYSA-N -1 1 393.281 3.055 20 5 GGBDMM CC(C)(C)[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824077656 1449794670 /nfs/dbraw/zinc/79/46/70/1449794670.db2.gz CUOSVSVZWKHXPH-BDJLRTHQSA-N -1 1 397.439 3.329 20 5 GGBDMM O=[N+]([O-])c1ccccc1CN(C(=S)Nc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000826500257 1449859858 /nfs/dbraw/zinc/85/98/58/1449859858.db2.gz QHUICMQNNDNDLI-UHFFFAOYSA-N -1 1 395.448 3.136 20 5 GGBDMM COCCC1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCCC1 ZINC000821686940 1449891130 /nfs/dbraw/zinc/89/11/30/1449891130.db2.gz GLQIULJMPJIWHL-UHFFFAOYSA-N -1 1 397.439 3.332 20 5 GGBDMM COc1ccc(CSCCOc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000826207842 1449908831 /nfs/dbraw/zinc/90/88/31/1449908831.db2.gz HDLRMRWYDXHKKI-UHFFFAOYSA-N -1 1 387.421 3.096 20 5 GGBDMM Cc1ccc([C@@H](C)OC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822230829 1449944535 /nfs/dbraw/zinc/94/45/35/1449944535.db2.gz RMMAURBJNIUEIC-CHWSQXEVSA-N -1 1 397.391 3.155 20 5 GGBDMM Cc1csc(-c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2)n1 ZINC000737448149 1449975472 /nfs/dbraw/zinc/97/54/72/1449975472.db2.gz LVSGIMRNQFTUDP-UHFFFAOYSA-N -1 1 380.393 3.345 20 5 GGBDMM Cc1nc(Oc2ccc(Br)cc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000822453002 1450065441 /nfs/dbraw/zinc/06/54/41/1450065441.db2.gz DIJYZIXFLCKFTO-UHFFFAOYSA-N -1 1 377.158 3.033 20 5 GGBDMM C[C@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)Cc2ccccc21 ZINC000736291273 1450124826 /nfs/dbraw/zinc/12/48/26/1450124826.db2.gz UXDKVQXXOHBZKA-LBPRGKRZSA-N -1 1 387.403 3.447 20 5 GGBDMM C[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)Oc1ccccc1 ZINC000820274003 1450128747 /nfs/dbraw/zinc/12/87/47/1450128747.db2.gz BMMZFOZHTFBQSI-GFCCVEGCSA-N -1 1 391.391 3.203 20 5 GGBDMM CCCNc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000821123187 1450137710 /nfs/dbraw/zinc/13/77/10/1450137710.db2.gz MGZZGYXFVCYYAJ-UHFFFAOYSA-N -1 1 381.396 3.158 20 5 GGBDMM O=[N+]([O-])c1ccc(CCNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)cc1 ZINC000823634451 1450167549 /nfs/dbraw/zinc/16/75/49/1450167549.db2.gz FVOGUPYIPAORNX-UHFFFAOYSA-N -1 1 395.810 3.053 20 5 GGBDMM O=[N+]([O-])c1cnc(Nc2cccc(COc3ccccc3)c2)c(-c2nn[n-]n2)c1 ZINC000738374292 1450183219 /nfs/dbraw/zinc/18/32/19/1450183219.db2.gz MOYBGPQFOGSVDC-UHFFFAOYSA-N -1 1 389.375 3.493 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(Cc2ccc(F)cc2)CC1 ZINC000738357158 1450198347 /nfs/dbraw/zinc/19/83/47/1450198347.db2.gz DMCRNINRPHCOSJ-UHFFFAOYSA-N -1 1 382.399 3.373 20 5 GGBDMM Cc1c(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cccc1[N+](=O)[O-] ZINC000737210254 1450357290 /nfs/dbraw/zinc/35/72/90/1450357290.db2.gz CJQINJKIFRFBFE-UHFFFAOYSA-N -1 1 394.435 3.127 20 5 GGBDMM Cc1c(CN2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)cccc1[N+](=O)[O-] ZINC000737210254 1450357295 /nfs/dbraw/zinc/35/72/95/1450357295.db2.gz CJQINJKIFRFBFE-UHFFFAOYSA-N -1 1 394.435 3.127 20 5 GGBDMM C[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820481098 1450397976 /nfs/dbraw/zinc/39/79/76/1450397976.db2.gz SQBRENFRFWIGKF-GFCCVEGCSA-N -1 1 381.392 3.357 20 5 GGBDMM C[C@H](Cc1nc2ccccc2s1)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001575206009 952527187 /nfs/dbraw/zinc/52/71/87/952527187.db2.gz GCTRTZVXGOUXKY-SNVBAGLBSA-N -1 1 381.421 3.428 20 5 GGBDMM C[C@H](Cc1nc2ccccc2s1)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001575206009 952527190 /nfs/dbraw/zinc/52/71/90/952527190.db2.gz GCTRTZVXGOUXKY-SNVBAGLBSA-N -1 1 381.421 3.428 20 5 GGBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000593742467 953754712 /nfs/dbraw/zinc/75/47/12/953754712.db2.gz MTRMNEAAJXVVEJ-UONOGXRCSA-N -1 1 380.441 3.325 20 5 GGBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](C(=O)[O-])C2)cc1OC ZINC000593742465 953755055 /nfs/dbraw/zinc/75/50/55/953755055.db2.gz MTRMNEAAJXVVEJ-KBPBESRZSA-N -1 1 380.441 3.325 20 5 GGBDMM COc1cc(CN2CCCC[C@H]2CC(=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000593744299 953755677 /nfs/dbraw/zinc/75/56/77/953755677.db2.gz CMZJLSKJDUIHQG-LBPRGKRZSA-N -1 1 388.367 3.077 20 5 GGBDMM O=C([O-])CCCN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000262204380 961550124 /nfs/dbraw/zinc/55/01/24/961550124.db2.gz HTYNYRYJWWNCEY-UHFFFAOYSA-N -1 1 389.477 3.306 20 5 GGBDMM CCOc1cc(N2CCN(Cc3cccc(C(=O)[O-])c3)CC2)ccc1[N+](=O)[O-] ZINC000414641135 973945532 /nfs/dbraw/zinc/94/55/32/973945532.db2.gz SPHQYWPCTAQYOC-UHFFFAOYSA-N -1 1 385.420 3.014 20 5 GGBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)n1 ZINC000567238264 974629797 /nfs/dbraw/zinc/62/97/97/974629797.db2.gz DFXKPERWNXJGHA-AWEZNQCLSA-N -1 1 394.391 3.123 20 5 GGBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)n1 ZINC000567238264 974629802 /nfs/dbraw/zinc/62/98/02/974629802.db2.gz DFXKPERWNXJGHA-AWEZNQCLSA-N -1 1 394.391 3.123 20 5 GGBDMM C[C@H](CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1)C(=O)[O-] ZINC000572532965 974749848 /nfs/dbraw/zinc/74/98/48/974749848.db2.gz LOMRVICZDCPCEU-CQSZACIVSA-N -1 1 396.403 3.368 20 5 GGBDMM Cc1cc(N[C@@H](C)CN2CCN(c3ccccc3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000575049051 974793625 /nfs/dbraw/zinc/79/36/25/974793625.db2.gz NIPVXAPHJJLXAY-INIZCTEOSA-N -1 1 398.463 3.224 20 5 GGBDMM C[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000582005815 974919292 /nfs/dbraw/zinc/91/92/92/974919292.db2.gz MODTYTVCKLVFGF-GFCCVEGCSA-N -1 1 375.450 3.142 20 5 GGBDMM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(C(=O)[O-])CC2)cc1OC ZINC000593733265 974983823 /nfs/dbraw/zinc/98/38/23/974983823.db2.gz KMUTZDYGRRFDEU-CYBMUJFWSA-N -1 1 380.441 3.325 20 5 GGBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000630222884 975168864 /nfs/dbraw/zinc/16/88/64/975168864.db2.gz GBPYXIMFGNMQEL-OAHLLOKOSA-N -1 1 377.444 3.009 20 5 GGBDMM CC(C)n1ncc2c1[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)CCC2 ZINC001592158489 977037838 /nfs/dbraw/zinc/03/78/38/977037838.db2.gz PVFPODLJIDAGEO-OAHLLOKOSA-N -1 1 388.424 3.003 20 5 GGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000769629782 978742410 /nfs/dbraw/zinc/74/24/10/978742410.db2.gz FXZNIUDWHSCERG-UHFFFAOYSA-N -1 1 376.799 3.117 20 5 GGBDMM O=C([O-])CCN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000901678947 980441635 /nfs/dbraw/zinc/44/16/35/980441635.db2.gz TUKQCQAFYUWRSP-CYBMUJFWSA-N -1 1 376.331 3.069 20 5 GGBDMM O=C([O-])/C=C\c1ccc(NC2CCN(Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000917080923 982679453 /nfs/dbraw/zinc/67/94/53/982679453.db2.gz NYMLHIAMOPESGN-ALCCZGGFSA-N -1 1 382.420 3.164 20 5 GGBDMM CC(C)(C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC001589582566 987363631 /nfs/dbraw/zinc/36/36/31/987363631.db2.gz DBGVMJLUAWKXQD-UHFFFAOYSA-N -1 1 386.339 3.225 20 5 GGBDMM CCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1Cl ZINC001597556413 988288150 /nfs/dbraw/zinc/28/81/50/988288150.db2.gz OTVUEIBGVCWLII-UHFFFAOYSA-N -1 1 384.797 3.310 20 5 GGBDMM CCc1cccc2c1OCC[C@@H]2NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001597603503 988468076 /nfs/dbraw/zinc/46/80/76/988468076.db2.gz GJSGFFWOFWLQDL-INIZCTEOSA-N -1 1 386.404 3.234 20 5 GGBDMM CCc1nc(C2CCN(c3c(Cl)cc([N+](=O)[O-])cc3C(=O)[O-])CC2)n[nH]1 ZINC001597663501 988743174 /nfs/dbraw/zinc/74/31/74/988743174.db2.gz PACLUUYEJNVNKY-UHFFFAOYSA-N -1 1 379.804 3.011 20 5 GGBDMM CCc1nnc(C2CCN(c3c(Cl)cc([N+](=O)[O-])cc3C(=O)[O-])CC2)[nH]1 ZINC001597663501 988743182 /nfs/dbraw/zinc/74/31/82/988743182.db2.gz PACLUUYEJNVNKY-UHFFFAOYSA-N -1 1 379.804 3.011 20 5 GGBDMM C[C@@H](NCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)c1ccc([N+](=O)[O-])cc1 ZINC001599841422 988842290 /nfs/dbraw/zinc/84/22/90/988842290.db2.gz GXMDHEJGGSTTMH-SNVBAGLBSA-N -1 1 389.433 3.133 20 5 GGBDMM CC(C)CCOC1CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001591256434 992156421 /nfs/dbraw/zinc/15/64/21/992156421.db2.gz KUZXXCKODKPTRP-UHFFFAOYSA-N -1 1 380.441 3.085 20 5 GGBDMM COc1cccc([C@](C)(CC(=O)[O-])NCc2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC001599655875 994579379 /nfs/dbraw/zinc/57/93/79/994579379.db2.gz PTXIZNHRTQRBGM-IBGZPJMESA-N -1 1 392.383 3.231 20 5 GGBDMM C[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1cc(F)ccc1N(C)C ZINC001593298240 994711164 /nfs/dbraw/zinc/71/11/64/994711164.db2.gz GIMGOYZYRUYVEJ-LBPRGKRZSA-N -1 1 391.399 3.114 20 5 GGBDMM C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593312193 994795131 /nfs/dbraw/zinc/79/51/31/994795131.db2.gz PXOHRBMBAXJBOV-GUYCJALGSA-N -1 1 396.403 3.066 20 5 GGBDMM C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593317312 994818477 /nfs/dbraw/zinc/81/84/77/994818477.db2.gz OZAIIRCIFBHGQQ-DYVFJYSZSA-N -1 1 396.403 3.066 20 5 GGBDMM COC(=O)[C@@H](C)CN(Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598689752 995046047 /nfs/dbraw/zinc/04/60/47/995046047.db2.gz QIMAVDKQBRVCAK-AWEZNQCLSA-N -1 1 386.404 3.104 20 5 GGBDMM COc1ccc([C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C(=O)[O-])cc1Cl ZINC001599530686 997646642 /nfs/dbraw/zinc/64/66/42/997646642.db2.gz FGQAFSHYYSNOJP-INIZCTEOSA-N -1 1 380.784 3.181 20 5 GGBDMM COc1ccc([C@@H](NCc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)[O-])c(OC)c1 ZINC001599532592 997684970 /nfs/dbraw/zinc/68/49/70/997684970.db2.gz SICAFCBPWGINGN-MRXNPFEDSA-N -1 1 380.784 3.181 20 5 GGBDMM COc1c(O)ccc(CN[C@H](C(=O)[O-])c2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC001599345085 997990102 /nfs/dbraw/zinc/99/01/02/997990102.db2.gz QDFOBSZHFGJJMP-KRWDZBQOSA-N -1 1 382.372 3.378 20 5 GGBDMM COc1ccc(CN2CC[C@@H]2CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001599561051 998195641 /nfs/dbraw/zinc/19/56/41/998195641.db2.gz CCTIWQWTKHXNRV-VWTAQGJOSA-N -1 1 397.431 3.388 20 5 GGBDMM COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001599461995 998289538 /nfs/dbraw/zinc/28/95/38/998289538.db2.gz GPQGGKOPJNUJDY-JKSUJKDBSA-N -1 1 392.358 3.182 20 5 GGBDMM COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C(=O)[O-])c2cccc3ccccc32)c1 ZINC001598988974 998719352 /nfs/dbraw/zinc/71/93/52/998719352.db2.gz XKUHVVJQCYOWIM-LJQANCHMSA-N -1 1 394.383 3.450 20 5 GGBDMM COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C(=O)[O-])c2cccc3ccccc32)c1 ZINC001598988973 998719410 /nfs/dbraw/zinc/71/94/10/998719410.db2.gz XKUHVVJQCYOWIM-IBGZPJMESA-N -1 1 394.383 3.450 20 5 GGBDMM COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)c1 ZINC001598989064 998719773 /nfs/dbraw/zinc/71/97/73/998719773.db2.gz ZEOCASFPWHQBDU-ZSEKCTLFSA-N -1 1 398.415 3.348 20 5 GGBDMM C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594297405 999147155 /nfs/dbraw/zinc/14/71/55/999147155.db2.gz WXJACUKWTNBMJM-TZMCWYRMSA-N -1 1 378.425 3.235 20 5 GGBDMM O=C([O-])[C@@H](Cc1cc2ccccc2o1)NCc1c(F)cc([N+](=O)[O-])cc1F ZINC001601659428 1126224069 /nfs/dbraw/zinc/22/40/69/1126224069.db2.gz ZDNMRTMMIKVUKW-MRXNPFEDSA-N -1 1 376.315 3.405 20 5 GGBDMM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1cc([N+](=O)[O-])ccc1Cl ZINC000005156929 204114721 /nfs/dbraw/zinc/11/47/21/204114721.db2.gz GKZHDDXZSJYHCL-ZDUSSCGKSA-N -1 1 396.856 3.061 20 5 GGBDMM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1cc([N+](=O)[O-])ccc1Cl ZINC000005156928 204115133 /nfs/dbraw/zinc/11/51/33/204115133.db2.gz GKZHDDXZSJYHCL-CYBMUJFWSA-N -1 1 396.856 3.061 20 5 GGBDMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000011443391 204346493 /nfs/dbraw/zinc/34/64/93/204346493.db2.gz SJIIALQUXGBVLK-SECBINFHSA-N -1 1 396.856 3.403 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000006315965 564222512 /nfs/dbraw/zinc/22/25/12/564222512.db2.gz QCBZZJQUCZXFMV-UHFFFAOYSA-N -1 1 376.312 3.423 20 5 GGBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000007373211 564236268 /nfs/dbraw/zinc/23/62/68/564236268.db2.gz KETVDXSFORUMPG-UHFFFAOYSA-N -1 1 384.797 3.129 20 5 GGBDMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000011443208 564262997 /nfs/dbraw/zinc/26/29/97/564262997.db2.gz SAOOQFUSMHJNRU-UHFFFAOYSA-N -1 1 382.829 3.427 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2Br)c([N+](=O)[O-])c1 ZINC000023389759 564324222 /nfs/dbraw/zinc/32/42/22/564324222.db2.gz PWWKOEOLKLPAEN-UHFFFAOYSA-N -1 1 387.211 3.167 20 5 GGBDMM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000026874351 564350665 /nfs/dbraw/zinc/35/06/65/564350665.db2.gz YCSNXSRUGXEGJH-UHFFFAOYSA-N -1 1 396.277 3.354 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CCCO)c1ccccc1 ZINC000121407487 564368023 /nfs/dbraw/zinc/36/80/23/564368023.db2.gz UGOINHXJLCEEOG-AWEZNQCLSA-N -1 1 384.841 3.040 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1nc2ccccc2s1 ZINC000029940111 564376096 /nfs/dbraw/zinc/37/60/96/564376096.db2.gz LBVUUURPDBDVTO-UHFFFAOYSA-N -1 1 383.838 3.336 20 5 GGBDMM COc1cccc(C2([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 ZINC000127703268 564592367 /nfs/dbraw/zinc/59/23/67/564592367.db2.gz MGTVKJZZAVERBC-UHFFFAOYSA-N -1 1 382.825 3.224 20 5 GGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1Br ZINC000055546675 564623633 /nfs/dbraw/zinc/62/36/33/564623633.db2.gz VIUMJTNUWHSXKB-UHFFFAOYSA-N -1 1 387.211 3.167 20 5 GGBDMM Cc1cnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(Br)c1 ZINC000129461269 564649428 /nfs/dbraw/zinc/64/94/28/564649428.db2.gz QBOUXANSBVSAGA-UHFFFAOYSA-N -1 1 386.227 3.170 20 5 GGBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl ZINC000063444008 564717659 /nfs/dbraw/zinc/71/76/59/564717659.db2.gz VJCHNPLSTSTBDR-UHFFFAOYSA-N -1 1 383.813 3.316 20 5 GGBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1Cl ZINC000063444011 564717998 /nfs/dbraw/zinc/71/79/98/564717998.db2.gz SJNJISXQYJPBKV-UHFFFAOYSA-N -1 1 383.813 3.316 20 5 GGBDMM CC(C)n1c(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n[n-]c1=S ZINC000066649982 564771785 /nfs/dbraw/zinc/77/17/85/564771785.db2.gz FXGBRYSDAJANOA-JTQLQIEISA-N -1 1 381.483 3.227 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(CCSC)cc2)cc1[N+](=O)[O-] ZINC000067899601 564802493 /nfs/dbraw/zinc/80/24/93/564802493.db2.gz LSCWHCZAYQOAHC-UHFFFAOYSA-N -1 1 382.463 3.310 20 5 GGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ncccc1Br ZINC000135237078 564826014 /nfs/dbraw/zinc/82/60/14/564826014.db2.gz FYSCDXGMPIGUNO-UHFFFAOYSA-N -1 1 386.227 3.170 20 5 GGBDMM COc1ccc(CCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000146174270 564880991 /nfs/dbraw/zinc/88/09/91/564880991.db2.gz HOXDXZDEJFUIQP-UHFFFAOYSA-N -1 1 384.841 3.168 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCOC1CCCCC1 ZINC000146577051 564882104 /nfs/dbraw/zinc/88/21/04/564882104.db2.gz BJOQWAIXZQIAQZ-UHFFFAOYSA-N -1 1 376.862 3.266 20 5 GGBDMM O=C([N-]c1nnc(C(F)F)s1)c1ccc([N+](=O)[O-])cc1Br ZINC000150900286 564896482 /nfs/dbraw/zinc/89/64/82/564896482.db2.gz ABXXYDZCFBTHSD-UHFFFAOYSA-N -1 1 379.142 3.399 20 5 GGBDMM Cn1c(C2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)n[n-]c1=S ZINC000097552707 564908360 /nfs/dbraw/zinc/90/83/60/564908360.db2.gz OMICMSMUMPYQAY-UHFFFAOYSA-N -1 1 381.845 3.059 20 5 GGBDMM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000154068851 565024301 /nfs/dbraw/zinc/02/43/01/565024301.db2.gz IKVALCLHUJFVGF-UHFFFAOYSA-N -1 1 375.859 3.307 20 5 GGBDMM C[C@@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000158190523 565159573 /nfs/dbraw/zinc/15/95/73/565159573.db2.gz IBQAIXCGASZXLQ-JOYOIKCWSA-N -1 1 390.870 3.100 20 5 GGBDMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000158663485 565177619 /nfs/dbraw/zinc/17/76/19/565177619.db2.gz JUKULWUECQJZMC-UHFFFAOYSA-N -1 1 383.813 3.316 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)c1Cl ZINC000295166869 565249049 /nfs/dbraw/zinc/24/90/49/565249049.db2.gz PNQIJGWZNJUKBW-SKDRFNHKSA-N -1 1 395.264 3.138 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C3CC3)C2)c1Cl ZINC000295166851 565249593 /nfs/dbraw/zinc/24/95/93/565249593.db2.gz PNQIJGWZNJUKBW-BXKDBHETSA-N -1 1 395.264 3.138 20 5 GGBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cccc(NC(=O)C3CC3)c2)s1 ZINC000272841639 565299721 /nfs/dbraw/zinc/29/97/21/565299721.db2.gz MYMREVNMDDIXEG-UHFFFAOYSA-N -1 1 381.435 3.152 20 5 GGBDMM CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1ncc[nH]1 ZINC000296082401 565301139 /nfs/dbraw/zinc/30/11/39/565301139.db2.gz PYUNDWOKOZOWJG-NSHDSACASA-N -1 1 393.252 3.300 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)c1Cl ZINC000296221937 565308103 /nfs/dbraw/zinc/30/81/03/565308103.db2.gz KFWFYRQPRCSWTP-SECBINFHSA-N -1 1 395.264 3.282 20 5 GGBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000187172390 565314539 /nfs/dbraw/zinc/31/45/39/565314539.db2.gz YYZSWEWYHGMZGJ-UHFFFAOYSA-N -1 1 378.740 3.336 20 5 GGBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000273506216 565323750 /nfs/dbraw/zinc/32/37/50/565323750.db2.gz ZUOPRJJBGHBFSH-UHFFFAOYSA-N -1 1 380.760 3.327 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000187356261 565327009 /nfs/dbraw/zinc/32/70/09/565327009.db2.gz ZWLWXHKRBYDBTB-ZDUSSCGKSA-N -1 1 392.209 3.435 20 5 GGBDMM COc1c(F)cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1[N+](=O)[O-] ZINC000187392797 565329164 /nfs/dbraw/zinc/32/91/64/565329164.db2.gz MQILXNMDTPSCBD-UHFFFAOYSA-N -1 1 376.312 3.481 20 5 GGBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000167566758 565379325 /nfs/dbraw/zinc/37/93/25/565379325.db2.gz JXJBHQYWGVWFSQ-ZYHUDNBSSA-N -1 1 382.825 3.091 20 5 GGBDMM Cc1csc(CCCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000170738523 565389151 /nfs/dbraw/zinc/38/91/51/565389151.db2.gz UTPUTITXOBYSNO-UHFFFAOYSA-N -1 1 389.886 3.314 20 5 GGBDMM Cc1csc([C@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C2CC2)n1 ZINC000190013825 565501707 /nfs/dbraw/zinc/50/17/07/565501707.db2.gz WAFMGQCPZVMXJN-CYBMUJFWSA-N -1 1 381.479 3.406 20 5 GGBDMM Cc1cnc([C@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C2CC2)s1 ZINC000190013997 565501756 /nfs/dbraw/zinc/50/17/56/565501756.db2.gz AJEMRJSMQNRAAR-CYBMUJFWSA-N -1 1 381.479 3.406 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCc2c(O)cccc21 ZINC000190341209 565523482 /nfs/dbraw/zinc/52/34/82/565523482.db2.gz SOMJBIMKRLNUGB-CYBMUJFWSA-N -1 1 382.825 3.310 20 5 GGBDMM Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C2CC2)s1 ZINC000173487133 565560653 /nfs/dbraw/zinc/56/06/53/565560653.db2.gz RFVWBPJYKNGJCK-OAHLLOKOSA-N -1 1 381.479 3.406 20 5 GGBDMM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000303182494 565568266 /nfs/dbraw/zinc/56/82/66/565568266.db2.gz KOURQLNJKJLIIK-KOLCDFICSA-N -1 1 377.260 3.214 20 5 GGBDMM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000303182495 565568560 /nfs/dbraw/zinc/56/85/60/565568560.db2.gz KOURQLNJKJLIIK-MWLCHTKSSA-N -1 1 377.260 3.214 20 5 GGBDMM COc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000316869560 565593035 /nfs/dbraw/zinc/59/30/35/565593035.db2.gz KEYMWJNYJMQWKZ-UHFFFAOYSA-N -1 1 387.211 3.167 20 5 GGBDMM CS(=O)(=O)c1ccsc1[N-]C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175215541 565686297 /nfs/dbraw/zinc/68/62/97/565686297.db2.gz RQIKRTOJNBWOKT-UHFFFAOYSA-N -1 1 394.352 3.331 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000176727420 565798586 /nfs/dbraw/zinc/79/85/86/565798586.db2.gz AUCVULJJKIHGFP-UHFFFAOYSA-N -1 1 378.740 3.336 20 5 GGBDMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000195066139 565856849 /nfs/dbraw/zinc/85/68/49/565856849.db2.gz DNZCABCNHIGIEY-MRVPVSSYSA-N -1 1 382.829 3.013 20 5 GGBDMM O=C(Nc1ccc(I)cc1Cl)c1ccc([N+](=O)[O-])[n-]1 ZINC000226386993 565919388 /nfs/dbraw/zinc/91/93/88/565919388.db2.gz SSPQAHKGVLQHSH-UHFFFAOYSA-N -1 1 391.552 3.433 20 5 GGBDMM CS(=O)(=O)c1ccc(C(=O)[N-]c2c(F)cc(Cl)cc2F)cc1[N+](=O)[O-] ZINC000180331036 566054850 /nfs/dbraw/zinc/05/48/50/566054850.db2.gz IIQDSUWRNJGAHF-UHFFFAOYSA-N -1 1 390.751 3.182 20 5 GGBDMM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cncs1 ZINC000416477410 566073286 /nfs/dbraw/zinc/07/32/86/566073286.db2.gz STPMOSNALDSMOM-ZETCQYMHSA-N -1 1 381.357 3.110 20 5 GGBDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000181062607 566109703 /nfs/dbraw/zinc/10/97/03/566109703.db2.gz UGXQKGLRHDAXNE-UHFFFAOYSA-N -1 1 387.776 3.011 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)s1 ZINC000181594613 566151843 /nfs/dbraw/zinc/15/18/43/566151843.db2.gz UZLVMYJCOCIUOM-SMDDNHRTSA-N -1 1 388.854 3.118 20 5 GGBDMM Cc1nn(C)c(C(=O)[N-]c2nnc(SCc3cccs3)s2)c1[N+](=O)[O-] ZINC000181881911 566171358 /nfs/dbraw/zinc/17/13/58/566171358.db2.gz UZQVFJBYEPQADA-UHFFFAOYSA-N -1 1 396.479 3.094 20 5 GGBDMM Cc1noc(C)c1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290842603 566192605 /nfs/dbraw/zinc/19/26/05/566192605.db2.gz VRARLVSEYGMNRE-UHFFFAOYSA-N -1 1 394.236 3.027 20 5 GGBDMM COc1cc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000182791727 566224174 /nfs/dbraw/zinc/22/41/74/566224174.db2.gz CFMFCTAOFXOCOJ-CYBMUJFWSA-N -1 1 382.360 3.003 20 5 GGBDMM Cc1cc(Br)c([O-])c(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000182917449 566229586 /nfs/dbraw/zinc/22/95/86/566229586.db2.gz JWSSAEBBWQOYAU-UHFFFAOYSA-N -1 1 381.182 3.389 20 5 GGBDMM CC[C@@H](Cc1ccccc1Br)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445018877 566265289 /nfs/dbraw/zinc/26/52/89/566265289.db2.gz KLBDEQPYILZEIU-LBPRGKRZSA-N -1 1 394.225 3.209 20 5 GGBDMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cc(F)cc(Br)c1 ZINC000445211118 566272764 /nfs/dbraw/zinc/27/27/64/566272764.db2.gz JLEVXMQBFXNHMV-LBPRGKRZSA-N -1 1 398.188 3.478 20 5 GGBDMM O=C(Nc1cnn(-c2ccccc2Br)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000535146406 566281358 /nfs/dbraw/zinc/28/13/58/566281358.db2.gz CYDUSPXWCFCVLQ-UHFFFAOYSA-N -1 1 376.170 3.123 20 5 GGBDMM O=C(Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)Nc1cc(Cl)ccc1Cl ZINC000445332050 566284360 /nfs/dbraw/zinc/28/43/60/566284360.db2.gz NWZDQGOIDAKTAQ-UHFFFAOYSA-N -1 1 382.163 3.461 20 5 GGBDMM O=C(Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)Nc1ccc(Cl)cc1Cl ZINC000445364766 566285118 /nfs/dbraw/zinc/28/51/18/566285118.db2.gz AWXQDINSHHSWDM-UHFFFAOYSA-N -1 1 382.163 3.461 20 5 GGBDMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C12CCCC2 ZINC000462662821 566338355 /nfs/dbraw/zinc/33/83/55/566338355.db2.gz YLTICDWUWJEULJ-UONOGXRCSA-N -1 1 388.873 3.264 20 5 GGBDMM Cc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000462699750 566343022 /nfs/dbraw/zinc/34/30/22/566343022.db2.gz UZENUNGCKJCYRY-GFCCVEGCSA-N -1 1 384.841 3.302 20 5 GGBDMM Cc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000462698389 566343336 /nfs/dbraw/zinc/34/33/36/566343336.db2.gz FJWNBXUSAJRIBT-GFCCVEGCSA-N -1 1 384.841 3.302 20 5 GGBDMM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000462708421 566344363 /nfs/dbraw/zinc/34/43/63/566344363.db2.gz YHMPGOXYVLVVTO-UHFFFAOYSA-N -1 1 381.262 3.484 20 5 GGBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000462711431 566346098 /nfs/dbraw/zinc/34/60/98/566346098.db2.gz JKMURLZZGQQCCX-JTQLQIEISA-N -1 1 388.804 3.133 20 5 GGBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Oc1ccccc1F ZINC000462709016 566346150 /nfs/dbraw/zinc/34/61/50/566346150.db2.gz TWBVJEMJCDBARC-JTQLQIEISA-N -1 1 388.804 3.133 20 5 GGBDMM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000462714385 566346373 /nfs/dbraw/zinc/34/63/73/566346373.db2.gz FNAOMONLGQAWHO-VHSXEESVSA-N -1 1 379.276 3.460 20 5 GGBDMM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])OC ZINC000446929832 566371761 /nfs/dbraw/zinc/37/17/61/566371761.db2.gz SIEBUKBLYWVERV-AWEZNQCLSA-N -1 1 378.878 3.368 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)c(Br)c1 ZINC000447004571 566378729 /nfs/dbraw/zinc/37/87/29/566378729.db2.gz CLMMWGFIULIHIS-UHFFFAOYSA-N -1 1 393.165 3.436 20 5 GGBDMM Cc1cc(F)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c(I)c1 ZINC000536559900 566383508 /nfs/dbraw/zinc/38/35/08/566383508.db2.gz CBQGLZNDAHFMSI-UHFFFAOYSA-N -1 1 390.108 3.492 20 5 GGBDMM CSc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000447341497 566406275 /nfs/dbraw/zinc/40/62/75/566406275.db2.gz PFDYVVFPPKGVTB-UHFFFAOYSA-N -1 1 382.419 3.124 20 5 GGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000577268999 566421035 /nfs/dbraw/zinc/42/10/35/566421035.db2.gz GVMMBHQNKZIWAQ-TZMCWYRMSA-N -1 1 381.841 3.258 20 5 GGBDMM CC(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1(C)C ZINC000463859420 566438621 /nfs/dbraw/zinc/43/86/21/566438621.db2.gz NTQMTIUQFBSVRR-QWHCGFSZSA-N -1 1 376.862 3.119 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000558116031 566450711 /nfs/dbraw/zinc/45/07/11/566450711.db2.gz FYSSLMFNDJFSHU-ZDUSSCGKSA-N -1 1 379.825 3.356 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000558116030 566450991 /nfs/dbraw/zinc/45/09/91/566450991.db2.gz FYSSLMFNDJFSHU-CYBMUJFWSA-N -1 1 379.825 3.356 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2O)ccc1[O-] ZINC000511322455 566454263 /nfs/dbraw/zinc/45/42/63/566454263.db2.gz FSLRWSOIXUWMHF-UHFFFAOYSA-N -1 1 379.177 3.114 20 5 GGBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1[nH][n-]c(CC)c1Br ZINC000448315512 566467733 /nfs/dbraw/zinc/46/77/33/566467733.db2.gz DNUOYTUKENJCBJ-UHFFFAOYSA-N -1 1 399.270 3.429 20 5 GGBDMM Cc1ccc(OCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)c1 ZINC000604431792 566566040 /nfs/dbraw/zinc/56/60/40/566566040.db2.gz LKTOMTMZPMLZBW-UHFFFAOYSA-N -1 1 384.841 3.222 20 5 GGBDMM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)o2)cs1 ZINC000467393971 566643335 /nfs/dbraw/zinc/64/33/35/566643335.db2.gz NJHIDVYSOFYYOS-UHFFFAOYSA-N -1 1 399.475 3.468 20 5 GGBDMM Cc1ccc([C@H]2OCCC[C@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000467793008 566668065 /nfs/dbraw/zinc/66/80/65/566668065.db2.gz OJRGLCQYXLHEQG-CZUORRHYSA-N -1 1 382.463 3.163 20 5 GGBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nn1-c1ccc(Cl)cc1Cl ZINC000540810315 566673157 /nfs/dbraw/zinc/67/31/57/566673157.db2.gz NFXMBBGHDWZAIX-UHFFFAOYSA-N -1 1 380.191 3.398 20 5 GGBDMM COc1cc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000540867997 566678890 /nfs/dbraw/zinc/67/88/90/566678890.db2.gz KXTUBHLBYQBRNV-LBPRGKRZSA-N -1 1 384.376 3.249 20 5 GGBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000468532988 566708141 /nfs/dbraw/zinc/70/81/41/566708141.db2.gz SBELHOQRBXTRHR-UHFFFAOYSA-N -1 1 384.797 3.144 20 5 GGBDMM COc1ccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cc1Cl ZINC000488232871 566715215 /nfs/dbraw/zinc/71/52/15/566715215.db2.gz PWYSPAIAOAWYQM-UHFFFAOYSA-N -1 1 390.776 3.205 20 5 GGBDMM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000426826697 566733084 /nfs/dbraw/zinc/73/30/84/566733084.db2.gz UHUHLVPQNIXVNS-HNNXBMFYSA-N -1 1 395.209 3.281 20 5 GGBDMM O=C([N-]c1nnc(-c2ccsc2)s1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000515871172 566737696 /nfs/dbraw/zinc/73/76/96/566737696.db2.gz GPIRJIAUANBEFX-UHFFFAOYSA-N -1 1 376.375 3.156 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCCc1ccccc1 ZINC000609030370 566748049 /nfs/dbraw/zinc/74/80/49/566748049.db2.gz SXLKYRWUYDIWAZ-UHFFFAOYSA-N -1 1 399.266 3.268 20 5 GGBDMM CC1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000609419464 566764174 /nfs/dbraw/zinc/76/41/74/566764174.db2.gz BIWNCFLQFQETCO-UHFFFAOYSA-N -1 1 377.260 3.216 20 5 GGBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)cc1[N+](=O)[O-] ZINC000562233977 566771341 /nfs/dbraw/zinc/77/13/41/566771341.db2.gz IKOLCLSMZDUEPA-UHFFFAOYSA-N -1 1 384.723 3.099 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@@H]1c1c(F)cccc1F ZINC000609708448 566782106 /nfs/dbraw/zinc/78/21/06/566782106.db2.gz LLWKHQHCXJBWMD-UFBFGSQYSA-N -1 1 388.779 3.361 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(-c3ccncc3)cc2)s1 ZINC000610086308 566805025 /nfs/dbraw/zinc/80/50/25/566805025.db2.gz PDJFPINMRFDEND-UHFFFAOYSA-N -1 1 375.431 3.197 20 5 GGBDMM Cc1cc(C(C)(C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1Br ZINC000428131826 566818350 /nfs/dbraw/zinc/81/83/50/566818350.db2.gz RGSQDXBUTRWZQG-UHFFFAOYSA-N -1 1 394.225 3.431 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cccc2c1CCCN2 ZINC000489967259 566820201 /nfs/dbraw/zinc/82/02/01/566820201.db2.gz SVIJWZWGMJIKCT-UHFFFAOYSA-N -1 1 381.841 3.085 20 5 GGBDMM C[C@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000517914017 566853805 /nfs/dbraw/zinc/85/38/05/566853805.db2.gz AKNGYPRLKRFYJS-SNVBAGLBSA-N -1 1 388.804 3.133 20 5 GGBDMM CN(CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000517912332 566853955 /nfs/dbraw/zinc/85/39/55/566853955.db2.gz AIAVVQAKBNYFKF-UHFFFAOYSA-N -1 1 383.857 3.053 20 5 GGBDMM C[C@@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000517914016 566854482 /nfs/dbraw/zinc/85/44/82/566854482.db2.gz AKNGYPRLKRFYJS-JTQLQIEISA-N -1 1 388.804 3.133 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1nc2ccccc2s1 ZINC000470775811 566903288 /nfs/dbraw/zinc/90/32/88/566903288.db2.gz ZZSWJRKMAWTNQW-UHFFFAOYSA-N -1 1 397.865 3.379 20 5 GGBDMM Cc1ccccc1OCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000519149385 566923423 /nfs/dbraw/zinc/92/34/23/566923423.db2.gz MUDAERZYUIIVEX-UHFFFAOYSA-N -1 1 384.841 3.304 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000429981754 566972356 /nfs/dbraw/zinc/97/23/56/566972356.db2.gz ZVSMZZLUXFPYKG-QMMMGPOBSA-N -1 1 388.314 3.327 20 5 GGBDMM Cc1c(Br)ccc([O-])c1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000452760883 567015098 /nfs/dbraw/zinc/01/50/98/567015098.db2.gz WTIZZXQYPHFOOK-UHFFFAOYSA-N -1 1 383.202 3.470 20 5 GGBDMM CC(C)(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000522800558 567131908 /nfs/dbraw/zinc/13/19/08/567131908.db2.gz CVJBTCQHINDIOI-XHDPSFHLSA-N -1 1 390.889 3.368 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2OC(F)F)ccc1[O-] ZINC000546535995 567135232 /nfs/dbraw/zinc/13/52/32/567135232.db2.gz DBJXWSFGLTXWLS-UHFFFAOYSA-N -1 1 394.739 3.356 20 5 GGBDMM CO[C@H](c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1ccc(Br)cc1 ZINC000546520761 567136041 /nfs/dbraw/zinc/13/60/41/567136041.db2.gz CWNXZGRSZPHSBP-LBPRGKRZSA-N -1 1 379.170 3.471 20 5 GGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000546606801 567141085 /nfs/dbraw/zinc/14/10/85/567141085.db2.gz GQPYMJUHSKAPBU-UHFFFAOYSA-N -1 1 388.232 3.264 20 5 GGBDMM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000546634061 567144280 /nfs/dbraw/zinc/14/42/80/567144280.db2.gz UULPDTMOWBWYCI-UHFFFAOYSA-N -1 1 384.797 3.144 20 5 GGBDMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000474306025 567157569 /nfs/dbraw/zinc/15/75/69/567157569.db2.gz BWHVYZVNGKMUOA-UHFFFAOYSA-N -1 1 384.797 3.129 20 5 GGBDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)cc1Cl ZINC000432775715 567189125 /nfs/dbraw/zinc/18/91/25/567189125.db2.gz JXJUTTLPVMIRAL-UHFFFAOYSA-N -1 1 386.813 3.375 20 5 GGBDMM CC(C)(C)[C@@H](CC(=O)[O-])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000548594470 567334776 /nfs/dbraw/zinc/33/47/76/567334776.db2.gz YAEKGNIYYBKJEC-SNVBAGLBSA-N -1 1 399.252 3.069 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cn4ccc(Br)cc4n3)no2)[n-]1 ZINC000568570841 567339244 /nfs/dbraw/zinc/33/92/44/567339244.db2.gz HMRROGCVSJYWND-UHFFFAOYSA-N -1 1 375.142 3.050 20 5 GGBDMM Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c(Cl)c1 ZINC000476742379 567346888 /nfs/dbraw/zinc/34/68/88/567346888.db2.gz SJJRGNBBRPBNKP-UHFFFAOYSA-N -1 1 384.797 3.129 20 5 GGBDMM C[C@@H]1CC(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000548977170 567363842 /nfs/dbraw/zinc/36/38/42/567363842.db2.gz OPDCQCGRTPIPQS-GHMZBOCLSA-N -1 1 376.862 3.120 20 5 GGBDMM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(Br)ccc1[O-] ZINC000436826736 567456432 /nfs/dbraw/zinc/45/64/32/567456432.db2.gz LROQBMMQESEQDU-UHFFFAOYSA-N -1 1 379.210 3.378 20 5 GGBDMM CCc1nc(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000570816884 567514975 /nfs/dbraw/zinc/51/49/75/567514975.db2.gz WUNJCWUGGVJUBF-UHFFFAOYSA-N -1 1 382.829 3.345 20 5 GGBDMM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000479379610 567529354 /nfs/dbraw/zinc/52/93/54/567529354.db2.gz SBSHSCQKOWSWHQ-ZWNOBZJWSA-N -1 1 376.862 3.120 20 5 GGBDMM CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000479379605 567529556 /nfs/dbraw/zinc/52/95/56/567529556.db2.gz SBSHSCQKOWSWHQ-GWCFXTLKSA-N -1 1 376.862 3.120 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1CC[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000479948088 567569897 /nfs/dbraw/zinc/56/98/97/567569897.db2.gz JXPUPHGKNVNCGT-UHFFFAOYSA-N -1 1 376.768 3.047 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1CC[N-]S(=O)(=O)c1cccc(F)c1F ZINC000479982961 567573052 /nfs/dbraw/zinc/57/30/52/567573052.db2.gz OULYNTFGARNIAC-UHFFFAOYSA-N -1 1 376.768 3.047 20 5 GGBDMM COc1cc(C(=O)Nc2cc(Br)ccc2[O-])c([N+](=O)[O-])cc1OC ZINC000530777101 567623914 /nfs/dbraw/zinc/62/39/14/567623914.db2.gz LKUJAPSAYHRAIH-UHFFFAOYSA-N -1 1 397.181 3.332 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)s1 ZINC000481244459 567666106 /nfs/dbraw/zinc/66/61/06/567666106.db2.gz ZZWZVJUPBGIMJF-WDEREUQCSA-N -1 1 390.389 3.092 20 5 GGBDMM COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Br ZINC000442328817 567691143 /nfs/dbraw/zinc/69/11/43/567691143.db2.gz UWNDCDLSNNQDAI-UHFFFAOYSA-N -1 1 387.211 3.167 20 5 GGBDMM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000461115521 567722414 /nfs/dbraw/zinc/72/24/14/567722414.db2.gz GRNMJBLYXXXCJF-UHFFFAOYSA-N -1 1 384.797 3.129 20 5 GGBDMM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(Cl)c1 ZINC000574114462 567756344 /nfs/dbraw/zinc/75/63/44/567756344.db2.gz FYAMELCSDZOLHG-AWEZNQCLSA-N -1 1 388.804 3.053 20 5 GGBDMM COc1cccc(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)c1[N+](=O)[O-] ZINC000444324705 567801777 /nfs/dbraw/zinc/80/17/77/567801777.db2.gz DLFWMTVZDOLTQI-UHFFFAOYSA-N -1 1 378.797 3.383 20 5 GGBDMM O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000740124459 600058046 /nfs/dbraw/zinc/05/80/46/600058046.db2.gz ZUPOPOLWJLWZEW-UHFFFAOYSA-N -1 1 390.295 3.113 20 5 GGBDMM Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000263376160 600373803 /nfs/dbraw/zinc/37/38/03/600373803.db2.gz WPZIKNBXOVTVIR-KBXCAEBGSA-N -1 1 385.420 3.236 20 5 GGBDMM C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000736652234 600428367 /nfs/dbraw/zinc/42/83/67/600428367.db2.gz BOOKOBIDNCNVQI-MRVPVSSYSA-N -1 1 388.767 3.314 20 5 GGBDMM C[C@H](CN(Cc1ccccc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000736585054 600685739 /nfs/dbraw/zinc/68/57/39/600685739.db2.gz RQMRUAOJGIPCRI-OAHLLOKOSA-N -1 1 395.419 3.034 20 5 GGBDMM O=C([O-])CCCCCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000760105419 600699886 /nfs/dbraw/zinc/69/98/86/600699886.db2.gz XLEFGQNTWLLNCF-UHFFFAOYSA-N -1 1 399.252 3.215 20 5 GGBDMM C[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000828284833 600961716 /nfs/dbraw/zinc/96/17/16/600961716.db2.gz ILVZTYNORNSXBE-OAHLLOKOSA-N -1 1 397.431 3.030 20 5 GGBDMM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000828296001 601108723 /nfs/dbraw/zinc/10/87/23/601108723.db2.gz ROIRKPIJOLIETQ-HNNXBMFYSA-N -1 1 397.431 3.030 20 5 GGBDMM Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(NC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000832885519 601782765 /nfs/dbraw/zinc/78/27/65/601782765.db2.gz CBWUUGYCSKMLTC-UHFFFAOYSA-N -1 1 385.785 3.447 20 5 GGBDMM Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000832885561 601783810 /nfs/dbraw/zinc/78/38/10/601783810.db2.gz DGJIUFKMJOASRB-UHFFFAOYSA-N -1 1 399.812 3.125 20 5 GGBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(Cl)cc1F ZINC000746352310 601830027 /nfs/dbraw/zinc/83/00/27/601830027.db2.gz HFKUGQSPDYJWQE-UHFFFAOYSA-N -1 1 392.723 3.025 20 5 GGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000761892660 602317681 /nfs/dbraw/zinc/31/76/81/602317681.db2.gz YJOMFMIYGAGFDJ-UHFFFAOYSA-N -1 1 388.760 3.195 20 5 GGBDMM O=C([O-])CCCN(Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000833226765 604786811 /nfs/dbraw/zinc/78/68/11/604786811.db2.gz FEUHWUGNVAUFPP-UHFFFAOYSA-N -1 1 386.404 3.328 20 5 GGBDMM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000833421586 604938536 /nfs/dbraw/zinc/93/85/36/604938536.db2.gz SGDRDRGTNPNLHO-NSHDSACASA-N -1 1 383.832 3.010 20 5 GGBDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000833626632 605159880 /nfs/dbraw/zinc/15/98/80/605159880.db2.gz QMUCCNZCBZZVAT-HNNXBMFYSA-N -1 1 377.444 3.009 20 5 GGBDMM CCc1ccc(CC)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000833670332 605328034 /nfs/dbraw/zinc/32/80/34/605328034.db2.gz MRUKCRNYHRJXSF-UHFFFAOYSA-N -1 1 378.406 3.219 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000823620990 606700022 /nfs/dbraw/zinc/70/00/22/606700022.db2.gz VHSUIDBLCKEBHU-CYBMUJFWSA-N -1 1 390.407 3.035 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000823620990 606700024 /nfs/dbraw/zinc/70/00/24/606700024.db2.gz VHSUIDBLCKEBHU-CYBMUJFWSA-N -1 1 390.407 3.035 20 5 GGBDMM Cc1ccc([C@@H]2OCCC[C@H]2CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822233340 606713996 /nfs/dbraw/zinc/71/39/96/606713996.db2.gz MXHJSOYMAOAVJM-YOEHRIQHSA-N -1 1 395.423 3.058 20 5 GGBDMM Cc1ccc([C@@H]2OCCC[C@H]2CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000822233340 606713997 /nfs/dbraw/zinc/71/39/97/606713997.db2.gz MXHJSOYMAOAVJM-YOEHRIQHSA-N -1 1 395.423 3.058 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(C2SCCS2)cc1 ZINC000823629615 607163883 /nfs/dbraw/zinc/16/38/83/607163883.db2.gz BSLVLSHMJWDJGJ-UHFFFAOYSA-N -1 1 388.434 3.441 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(C2SCCS2)cc1 ZINC000823629615 607163884 /nfs/dbraw/zinc/16/38/84/607163884.db2.gz BSLVLSHMJWDJGJ-UHFFFAOYSA-N -1 1 388.434 3.441 20 5 GGBDMM Cc1cc(C)cc(C2=CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)c1 ZINC000826264759 608799010 /nfs/dbraw/zinc/79/90/10/608799010.db2.gz ZGAPSWMGEUBQRO-UHFFFAOYSA-N -1 1 377.408 3.080 20 5 GGBDMM Cc1cc(C)cc(C2=CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)c1 ZINC000826264759 608799011 /nfs/dbraw/zinc/79/90/11/608799011.db2.gz ZGAPSWMGEUBQRO-UHFFFAOYSA-N -1 1 377.408 3.080 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc1[N+](=O)[O-] ZINC000054293708 1406683958 /nfs/dbraw/zinc/68/39/58/1406683958.db2.gz ZCPGTMYJCSZMHL-UHFFFAOYSA-N -1 1 376.369 3.029 20 5 GGBDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3C)cc2C[C@H]1C ZINC000054304976 1406686223 /nfs/dbraw/zinc/68/62/23/1406686223.db2.gz ZCNKGRUSLHJJQA-GFCCVEGCSA-N -1 1 389.433 3.002 20 5 GGBDMM C[C@@H](OCCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000054979456 1406863476 /nfs/dbraw/zinc/86/34/76/1406863476.db2.gz LOTXNNVZQYUTCP-CYBMUJFWSA-N -1 1 382.413 3.180 20 5 GGBDMM COC(=O)c1cc(C(=O)[N-]c2nc(-c3ccccc3)ns2)cc([N+](=O)[O-])c1 ZINC000055410320 1406953482 /nfs/dbraw/zinc/95/34/82/1406953482.db2.gz MIMTYEDASQEREG-UHFFFAOYSA-N -1 1 384.373 3.152 20 5 GGBDMM CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1OC ZINC000007325421 1398654235 /nfs/dbraw/zinc/65/42/35/1398654235.db2.gz UCPQPGBSWMKLKW-UHFFFAOYSA-N -1 1 380.422 3.420 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)ccc1Br ZINC000007357391 1398658746 /nfs/dbraw/zinc/65/87/46/1398658746.db2.gz GMFMKTQMOLTIND-UHFFFAOYSA-N -1 1 386.227 3.049 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCc1ccccn1 ZINC000008147300 1398808283 /nfs/dbraw/zinc/80/82/83/1398808283.db2.gz KDPVZFJDLJMGMW-UHFFFAOYSA-N -1 1 384.417 3.403 20 5 GGBDMM Cc1nc(-c2ccc(CCNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)cs1 ZINC000016499175 1399245660 /nfs/dbraw/zinc/24/56/60/1399245660.db2.gz HQKUQHZJFYXJDS-UHFFFAOYSA-N -1 1 384.417 3.100 20 5 GGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000055631549 1407031044 /nfs/dbraw/zinc/03/10/44/1407031044.db2.gz JCPKVALBXOZTDU-INIZCTEOSA-N -1 1 392.433 3.262 20 5 GGBDMM COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000024101230 1399603391 /nfs/dbraw/zinc/60/33/91/1399603391.db2.gz IHVMQHJKUGHMMH-UHFFFAOYSA-N -1 1 380.422 3.407 20 5 GGBDMM CNC(=O)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)ccc1Cl ZINC000055648473 1407041233 /nfs/dbraw/zinc/04/12/33/1407041233.db2.gz QPXBUPLFGDKDHI-UHFFFAOYSA-N -1 1 397.840 3.025 20 5 GGBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)ccc1F ZINC000024243966 1399615238 /nfs/dbraw/zinc/61/52/38/1399615238.db2.gz OANNHWIMJWYXDA-UHFFFAOYSA-N -1 1 380.275 3.433 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)NC(C)C)cc1 ZINC000024426909 1399629416 /nfs/dbraw/zinc/62/94/16/1399629416.db2.gz BDWOHIMZFHIXPX-UHFFFAOYSA-N -1 1 392.437 3.234 20 5 GGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(N2CCCCC2=O)c1 ZINC000024956402 1399701828 /nfs/dbraw/zinc/70/18/28/1399701828.db2.gz PNCFJAJKUVWQCT-UHFFFAOYSA-N -1 1 389.433 3.221 20 5 GGBDMM COc1cc(C(=O)[N-]c2nnc(C3CC3)s2)c([N+](=O)[O-])cc1OC(F)F ZINC000029579820 1400318180 /nfs/dbraw/zinc/31/81/80/1400318180.db2.gz ZRFLEUCNGIDHQN-UHFFFAOYSA-N -1 1 386.336 3.186 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(c2ccc(F)cc2Cl)CC1 ZINC000826497692 1426317819 /nfs/dbraw/zinc/31/78/19/1426317819.db2.gz QEQXZKMTASQRDN-UHFFFAOYSA-N -1 1 389.778 3.106 20 5 GGBDMM Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])s1 ZINC000048445288 1405191641 /nfs/dbraw/zinc/19/16/41/1405191641.db2.gz PJABHNRPHZSHFI-UHFFFAOYSA-N -1 1 391.268 3.206 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(OCc2ccc(F)cc2)CC1 ZINC000826497483 1427072924 /nfs/dbraw/zinc/07/29/24/1427072924.db2.gz IWPIBPLWDZADMS-UHFFFAOYSA-N -1 1 398.398 3.100 20 5 GGBDMM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000050534825 1405597035 /nfs/dbraw/zinc/59/70/35/1405597035.db2.gz MYOXTYMUOQHGSS-UHFFFAOYSA-N -1 1 393.490 3.257 20 5 GGBDMM COCCCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000052281821 1406006933 /nfs/dbraw/zinc/00/69/33/1406006933.db2.gz WMMZTULIHDDJQL-UHFFFAOYSA-N -1 1 379.438 3.234 20 5 GGBDMM Cc1nc(C2([N-]S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])CCCCC2)no1 ZINC000060499072 1407990919 /nfs/dbraw/zinc/99/09/19/1407990919.db2.gz ZXKAJLILXHAIIR-UHFFFAOYSA-N -1 1 394.453 3.041 20 5 GGBDMM CCCCOc1ncccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000063629452 1408383317 /nfs/dbraw/zinc/38/33/17/1408383317.db2.gz REUWTFOWWFNEFO-UHFFFAOYSA-N -1 1 399.856 3.301 20 5 GGBDMM O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2nn[n-]n2)s1 ZINC000823375985 1428319552 /nfs/dbraw/zinc/31/95/52/1428319552.db2.gz SVEZVPNRCAUAHA-UHFFFAOYSA-N -1 1 399.417 3.212 20 5 GGBDMM Cc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1C(=O)N(C)C ZINC000176527892 1428351649 /nfs/dbraw/zinc/35/16/49/1428351649.db2.gz YQOWEOSNHLNSBZ-UHFFFAOYSA-N -1 1 391.449 3.023 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1 ZINC000066445503 1408840168 /nfs/dbraw/zinc/84/01/68/1408840168.db2.gz SVGMGSGIDDPUFG-INIZCTEOSA-N -1 1 388.405 3.123 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCc4ccccc43)cc(-c3nnn[n-]3)c2c1 ZINC000823645912 1428353855 /nfs/dbraw/zinc/35/38/55/1428353855.db2.gz VRSBHNUEBZQLEK-ZDUSSCGKSA-N -1 1 387.403 3.465 20 5 GGBDMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000067078566 1409003575 /nfs/dbraw/zinc/00/35/75/1409003575.db2.gz JZIDFEAPIDFACT-UHFFFAOYSA-N -1 1 389.462 3.371 20 5 GGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(NC(C)=O)c1 ZINC000067123986 1409014013 /nfs/dbraw/zinc/01/40/13/1409014013.db2.gz BKGWXQGFAFOPGL-UHFFFAOYSA-N -1 1 377.422 3.225 20 5 GGBDMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)cc1 ZINC000067123988 1409014215 /nfs/dbraw/zinc/01/42/15/1409014215.db2.gz SEUIRCBBFQNADF-UHFFFAOYSA-N -1 1 377.422 3.307 20 5 GGBDMM O=[N+]([O-])c1cc(NCC2(c3ccc(F)cc3)CCOCC2)ccc1-c1nnn[n-]1 ZINC000823635071 1428370974 /nfs/dbraw/zinc/37/09/74/1428370974.db2.gz QVKOFBQUODJVDW-UHFFFAOYSA-N -1 1 398.398 3.074 20 5 GGBDMM CCOC(=O)c1cc(C(=O)[N-]c2nc(C(C)(C)C)ns2)cc([N+](=O)[O-])c1 ZINC000068074253 1409291575 /nfs/dbraw/zinc/29/15/75/1409291575.db2.gz HLNOXGQJCYFKIX-UHFFFAOYSA-N -1 1 378.410 3.173 20 5 GGBDMM CC(C)n1c(C2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)n[n-]c1=S ZINC000068447159 1409405342 /nfs/dbraw/zinc/40/53/42/1409405342.db2.gz SQUIIDLEAQDIGW-UHFFFAOYSA-N -1 1 390.469 3.032 20 5 GGBDMM CCn1c(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)n[n-]c1=S ZINC000068452780 1409407194 /nfs/dbraw/zinc/40/71/94/1409407194.db2.gz ZBGCFQHILCKPGA-UHFFFAOYSA-N -1 1 375.454 3.197 20 5 GGBDMM CCn1c(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)n[n-]c1=S ZINC000068453803 1409407476 /nfs/dbraw/zinc/40/74/76/1409407476.db2.gz DIJNSHQXZADVSX-UHFFFAOYSA-N -1 1 379.417 3.028 20 5 GGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)c1C ZINC000070825891 1409784462 /nfs/dbraw/zinc/78/44/62/1409784462.db2.gz FPLSRPBIYYYRDW-UHFFFAOYSA-N -1 1 393.446 3.057 20 5 GGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000072045310 1409841091 /nfs/dbraw/zinc/84/10/91/1409841091.db2.gz GARQZGVLVPFSMZ-OAHLLOKOSA-N -1 1 388.405 3.123 20 5 GGBDMM O=[N+]([O-])c1ccc2sc(C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)nc2c1 ZINC000738366105 1428445522 /nfs/dbraw/zinc/44/55/22/1428445522.db2.gz CKYNRONQQDASSE-ZZXKWVIFSA-N -1 1 390.388 3.203 20 5 GGBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(C)(C)C ZINC000096609950 1410334339 /nfs/dbraw/zinc/33/43/39/1410334339.db2.gz BOUIUCJDUMJHAH-SECBINFHSA-N -1 1 379.276 3.318 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nc2ccccc2s1 ZINC000101568957 1410468435 /nfs/dbraw/zinc/46/84/35/1410468435.db2.gz UQBOCGLKZNGYHW-UHFFFAOYSA-N -1 1 383.838 3.336 20 5 GGBDMM COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000104748983 1410954293 /nfs/dbraw/zinc/95/42/93/1410954293.db2.gz LHWZDJJUUKVURF-UHFFFAOYSA-N -1 1 382.413 3.042 20 5 GGBDMM O=C([N-]c1nc(Cc2ccccc2)ns1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000107197742 1411350363 /nfs/dbraw/zinc/35/03/63/1411350363.db2.gz HQIUZRIUPGEQRR-UHFFFAOYSA-N -1 1 385.361 3.198 20 5 GGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)c1C ZINC000108638834 1411561641 /nfs/dbraw/zinc/56/16/41/1411561641.db2.gz LNZZJOJBDBFUSS-UHFFFAOYSA-N -1 1 386.433 3.413 20 5 GGBDMM Cc1cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1OCC(F)(F)F ZINC000737279140 1428638081 /nfs/dbraw/zinc/63/80/81/1428638081.db2.gz NZLPTYCHZWTPMD-UHFFFAOYSA-N -1 1 395.301 3.163 20 5 GGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1C ZINC000116712046 1412901113 /nfs/dbraw/zinc/90/11/13/1412901113.db2.gz MZUZSWBVPAKNDB-VWLOTQADSA-N -1 1 396.490 3.145 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)c(F)c1 ZINC000118161390 1413117456 /nfs/dbraw/zinc/11/74/56/1413117456.db2.gz AMQCQEJZBDIEIC-UHFFFAOYSA-N -1 1 376.369 3.029 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1CCN(c2ccccc2)CC1 ZINC000119582009 1413492350 /nfs/dbraw/zinc/49/23/50/1413492350.db2.gz PUJTUAQGMOMWRM-UHFFFAOYSA-N -1 1 395.868 3.196 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCN(c2ccccc2)C1 ZINC000119582403 1413493247 /nfs/dbraw/zinc/49/32/47/1413493247.db2.gz GNXCMNQMZCWJQB-CYBMUJFWSA-N -1 1 395.868 3.053 20 5 GGBDMM Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822229562 1428728954 /nfs/dbraw/zinc/72/89/54/1428728954.db2.gz XGQVKOUBWSPFOI-STQMWFEESA-N -1 1 395.423 3.205 20 5 GGBDMM CC(C)(C)c1ccc([C@H](O)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000120090865 1413683836 /nfs/dbraw/zinc/68/38/36/1413683836.db2.gz QFAXDTWUKRHUIU-OAHLLOKOSA-N -1 1 396.440 3.043 20 5 GGBDMM O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc(-c2nn[n-]n2)cs1 ZINC000823375672 1428747661 /nfs/dbraw/zinc/74/76/61/1428747661.db2.gz DWHVDZADLZTSBF-UHFFFAOYSA-N -1 1 399.417 3.212 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)cs1 ZINC000120295661 1413771818 /nfs/dbraw/zinc/77/18/18/1413771818.db2.gz IXGUNPIXRSADOF-UHFFFAOYSA-N -1 1 399.194 3.498 20 5 GGBDMM COc1cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000121345701 1414089854 /nfs/dbraw/zinc/08/98/54/1414089854.db2.gz PQFNDCBXAOCJSM-UHFFFAOYSA-N -1 1 391.449 3.395 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cccnc1Br ZINC000121384740 1414103197 /nfs/dbraw/zinc/10/31/97/1414103197.db2.gz CKQBFTDWKXBHTF-UHFFFAOYSA-N -1 1 392.618 3.207 20 5 GGBDMM C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000121948583 1414318904 /nfs/dbraw/zinc/31/89/04/1414318904.db2.gz APRYYJSNJRAQPG-AWEZNQCLSA-N -1 1 397.431 3.222 20 5 GGBDMM Cc1nc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)sc1-c1n[n-]c(=S)n1C ZINC000122502267 1414483739 /nfs/dbraw/zinc/48/37/39/1414483739.db2.gz VXDMJLJXWIOEHL-UHFFFAOYSA-N -1 1 390.450 3.379 20 5 GGBDMM C[C@@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000122677583 1414536468 /nfs/dbraw/zinc/53/64/68/1414536468.db2.gz AQRNZAONMNUYMT-NHYWBVRUSA-N -1 1 384.841 3.039 20 5 GGBDMM C[C@@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000122777010 1414562100 /nfs/dbraw/zinc/56/21/00/1414562100.db2.gz LAEAAWQKDRSQFT-NHYWBVRUSA-N -1 1 384.841 3.039 20 5 GGBDMM C[C@@H](O)C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000124688013 1415022028 /nfs/dbraw/zinc/02/20/28/1415022028.db2.gz PZMZVQARKJDQCW-OCCSQVGLSA-N -1 1 398.868 3.081 20 5 GGBDMM C[C@H](O)C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000124688204 1415022083 /nfs/dbraw/zinc/02/20/83/1415022083.db2.gz PZMZVQARKJDQCW-GXTWGEPZSA-N -1 1 398.868 3.081 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(OCC2CCCCC2)CC1 ZINC000823630005 1428857546 /nfs/dbraw/zinc/85/75/46/1428857546.db2.gz PGMLKHPQBXUCGN-UHFFFAOYSA-N -1 1 386.456 3.341 20 5 GGBDMM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c1 ZINC000177823724 1428865539 /nfs/dbraw/zinc/86/55/39/1428865539.db2.gz OMIVIQKHYACRJJ-UHFFFAOYSA-N -1 1 397.840 3.025 20 5 GGBDMM Cc1ccc([C@H](C)NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1[N+](=O)[O-] ZINC000177868185 1428878174 /nfs/dbraw/zinc/87/81/74/1428878174.db2.gz AFZZWUHEMGXLAU-LBPRGKRZSA-N -1 1 397.435 3.078 20 5 GGBDMM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1Br ZINC000736817256 1428890310 /nfs/dbraw/zinc/89/03/10/1428890310.db2.gz VHESHGUKQPSTES-UHFFFAOYSA-N -1 1 389.213 3.174 20 5 GGBDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3C)cc2C[C@H]1C ZINC000125925137 1415314293 /nfs/dbraw/zinc/31/42/93/1415314293.db2.gz FICCVHDKMIPLAY-GFCCVEGCSA-N -1 1 389.433 3.002 20 5 GGBDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3C)cc2C[C@@H]1C ZINC000125924903 1415314535 /nfs/dbraw/zinc/31/45/35/1415314535.db2.gz FICCVHDKMIPLAY-LBPRGKRZSA-N -1 1 389.433 3.002 20 5 GGBDMM COc1cc(F)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1F ZINC000126442774 1415453946 /nfs/dbraw/zinc/45/39/46/1415453946.db2.gz MIXYEJZAIPVSNR-UHFFFAOYSA-N -1 1 376.312 3.130 20 5 GGBDMM Cc1cccc([C@@H](C)C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826296154 1428959241 /nfs/dbraw/zinc/95/92/41/1428959241.db2.gz KZYNMHQKXSRRFA-SNVBAGLBSA-N -1 1 386.799 3.479 20 5 GGBDMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(F)c([N+](=O)[O-])c3)cc2F)c1 ZINC000128029008 1415896559 /nfs/dbraw/zinc/89/65/59/1415896559.db2.gz HZTIOGDKPBUHBY-UHFFFAOYSA-N -1 1 394.359 3.168 20 5 GGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000128047304 1415900578 /nfs/dbraw/zinc/90/05/78/1415900578.db2.gz QDZQYFWJSYDXCN-NSHDSACASA-N -1 1 388.449 3.051 20 5 GGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc([S@@](C)=O)c1 ZINC000130663006 1416419997 /nfs/dbraw/zinc/41/99/97/1416419997.db2.gz BFUDUOPRBARKIF-QHCPKHFHSA-N -1 1 388.854 3.095 20 5 GGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc([S@](C)=O)cc1 ZINC000130707490 1416430790 /nfs/dbraw/zinc/43/07/90/1416430790.db2.gz VXEKFAIGCNSCKJ-HSZRJFAPSA-N -1 1 388.854 3.095 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)cc([N+](=O)[O-])c1F ZINC000132281802 1416728628 /nfs/dbraw/zinc/72/86/28/1416728628.db2.gz WRPSRJIPLLVICI-UHFFFAOYSA-N -1 1 393.396 3.118 20 5 GGBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2cnco2)c1 ZINC000132291622 1416730324 /nfs/dbraw/zinc/73/03/24/1416730324.db2.gz GSXLGJQDTQXIBF-UHFFFAOYSA-N -1 1 377.353 3.498 20 5 GGBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)C(C)C)c1 ZINC000132327823 1416737243 /nfs/dbraw/zinc/73/72/43/1416737243.db2.gz OPCWDNMUBZSQJK-UHFFFAOYSA-N -1 1 395.412 3.438 20 5 GGBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)C2CC2)c1 ZINC000132358387 1416744333 /nfs/dbraw/zinc/74/43/33/1416744333.db2.gz TWYHOZPXLAFJPT-UHFFFAOYSA-N -1 1 393.396 3.192 20 5 GGBDMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3C)cc21 ZINC000134441727 1417068330 /nfs/dbraw/zinc/06/83/30/1417068330.db2.gz NOEDMPMGOORFHD-UHFFFAOYSA-N -1 1 389.433 3.003 20 5 GGBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)ccc1C ZINC000134444903 1417068711 /nfs/dbraw/zinc/06/87/11/1417068711.db2.gz PDLPIOGTXNXDKL-UHFFFAOYSA-N -1 1 383.813 3.316 20 5 GGBDMM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2F)c1 ZINC000134466794 1417072837 /nfs/dbraw/zinc/07/28/37/1417072837.db2.gz NCGRAQIEDJULMZ-UHFFFAOYSA-N -1 1 376.369 3.029 20 5 GGBDMM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000135344833 1417210016 /nfs/dbraw/zinc/21/00/16/1417210016.db2.gz RXITWXZLDALITN-SECBINFHSA-N -1 1 397.316 3.167 20 5 GGBDMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3F)c2C)o1 ZINC000135406038 1417215743 /nfs/dbraw/zinc/21/57/43/1417215743.db2.gz VJJIQRVTKGXKRN-UHFFFAOYSA-N -1 1 394.384 3.443 20 5 GGBDMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])c2C)o1 ZINC000135408194 1417216065 /nfs/dbraw/zinc/21/60/65/1417216065.db2.gz KTJMXNGBVKMXOM-UHFFFAOYSA-N -1 1 376.394 3.304 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c([N+](=O)[O-])c1 ZINC000135509659 1417231224 /nfs/dbraw/zinc/23/12/24/1417231224.db2.gz DOJAKUHQKSWFIW-UHFFFAOYSA-N -1 1 398.347 3.218 20 5 GGBDMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c([N+](=O)[O-])c3)cc2F)c1 ZINC000135602776 1417244118 /nfs/dbraw/zinc/24/41/18/1417244118.db2.gz OAIZRZDXDGAYFN-UHFFFAOYSA-N -1 1 390.396 3.337 20 5 GGBDMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(C)c([N+](=O)[O-])c3)cc21 ZINC000135610213 1417245994 /nfs/dbraw/zinc/24/59/94/1417245994.db2.gz OSBYHIBEFPKYRH-UHFFFAOYSA-N -1 1 389.433 3.003 20 5 GGBDMM O=[N+]([O-])c1cnc(N2CCC[C@H](CCCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000826500746 1429185250 /nfs/dbraw/zinc/18/52/50/1429185250.db2.gz KUBZJPZWJCPBFE-INIZCTEOSA-N -1 1 393.451 3.409 20 5 GGBDMM O=[N+]([O-])c1cnc(N2CCc3c(ccc(Cl)c3Cl)C2)c(-c2nnn[n-]2)c1 ZINC000738367975 1429188160 /nfs/dbraw/zinc/18/81/60/1429188160.db2.gz AIYOLLOSSRJMPH-UHFFFAOYSA-N -1 1 392.206 3.039 20 5 GGBDMM COC[C@H](C)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000140441443 1417503227 /nfs/dbraw/zinc/50/32/27/1417503227.db2.gz MQORINNQORXIRE-CYBMUJFWSA-N -1 1 379.438 3.090 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000146252466 1417713569 /nfs/dbraw/zinc/71/35/69/1417713569.db2.gz MAPIIAIEKGELFV-KSSFIOAISA-N -1 1 394.424 3.180 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cc(-c2ccccc2)no1 ZINC000146791866 1417732304 /nfs/dbraw/zinc/73/23/04/1417732304.db2.gz YGVQCULJSYLCIN-UHFFFAOYSA-N -1 1 393.808 3.382 20 5 GGBDMM COc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1OC1CCCC1 ZINC000737105932 1429205554 /nfs/dbraw/zinc/20/55/54/1429205554.db2.gz NMIWQMXOLGZBED-UHFFFAOYSA-N -1 1 397.395 3.244 20 5 GGBDMM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccc(-n2ccnc2)c1 ZINC000820456302 1429211927 /nfs/dbraw/zinc/21/19/27/1429211927.db2.gz RUKKSITZGXNDBX-LBPRGKRZSA-N -1 1 376.380 3.134 20 5 GGBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ncc(-c2ccccc2)o1 ZINC000151571059 1418028389 /nfs/dbraw/zinc/02/83/89/1418028389.db2.gz MHMXARYFZFIXRJ-LLVKDONJSA-N -1 1 391.380 3.428 20 5 GGBDMM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(OC)c([N+](=O)[O-])c1 ZINC000825353583 1429264738 /nfs/dbraw/zinc/26/47/38/1429264738.db2.gz YWXJSUOUKFHZCW-UHFFFAOYSA-N -1 1 379.380 3.210 20 5 GGBDMM CCc1noc(CC)c1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821559093 1429278559 /nfs/dbraw/zinc/27/85/59/1429278559.db2.gz SSSYPTLYDJKSAV-UHFFFAOYSA-N -1 1 394.395 3.048 20 5 GGBDMM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H](O)c1c(F)cccc1Cl ZINC000820456564 1429279703 /nfs/dbraw/zinc/27/97/03/1429279703.db2.gz VHPMRCRVOYZSHL-VXJOIVPMSA-N -1 1 392.778 3.101 20 5 GGBDMM CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825826155 1429293658 /nfs/dbraw/zinc/29/36/58/1429293658.db2.gz ZEDVTWKEAKCNEG-UHFFFAOYSA-N -1 1 392.297 3.070 20 5 GGBDMM CC[C@@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825134660 1429355413 /nfs/dbraw/zinc/35/54/13/1429355413.db2.gz WJDGNLYVOUAUGS-OAHLLOKOSA-N -1 1 386.799 3.309 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N3CCCc4sccc4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645998 1429459943 /nfs/dbraw/zinc/45/99/43/1429459943.db2.gz ZFRQHJNBDNEHOP-UHFFFAOYSA-N -1 1 393.432 3.337 20 5 GGBDMM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000823338120 1429519736 /nfs/dbraw/zinc/51/97/36/1429519736.db2.gz ZDWKUXLEJQDTRL-UHFFFAOYSA-N -1 1 396.260 3.185 20 5 GGBDMM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000152352828 1422081065 /nfs/dbraw/zinc/08/10/65/1422081065.db2.gz AKBIPXQOBWTVRN-SECBINFHSA-N -1 1 388.854 3.250 20 5 GGBDMM CC[C@H](CCO)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000152369002 1422085316 /nfs/dbraw/zinc/08/53/16/1422085316.db2.gz UJKUUBQSSGFGRA-CQSZACIVSA-N -1 1 393.465 3.216 20 5 GGBDMM C[C@@]1(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCCO1 ZINC000152519868 1422128892 /nfs/dbraw/zinc/12/88/92/1422128892.db2.gz BBXBOJGAFNIWBV-SFHVURJKSA-N -1 1 391.449 3.377 20 5 GGBDMM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000152735627 1422230275 /nfs/dbraw/zinc/23/02/75/1422230275.db2.gz KOBHQQGTXHLZKM-GOSISDBHSA-N -1 1 388.401 3.264 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1C ZINC000153187382 1422386120 /nfs/dbraw/zinc/38/61/20/1422386120.db2.gz AMZUBDBFPHNURW-UHFFFAOYSA-N -1 1 388.405 3.103 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3ccc(F)c(F)c3)[nH]n2)c1 ZINC000153188214 1422386666 /nfs/dbraw/zinc/38/66/66/1422386666.db2.gz GZRYBUNUQFXVNR-UHFFFAOYSA-N -1 1 380.332 3.064 20 5 GGBDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000153188683 1422387066 /nfs/dbraw/zinc/38/70/66/1422387066.db2.gz NDFHFRZTOKTNOT-UHFFFAOYSA-N -1 1 376.369 3.233 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cccc4cnccc43)[nH]n2)c1 ZINC000153191305 1422387837 /nfs/dbraw/zinc/38/78/37/1422387837.db2.gz FCACPBPGZFUONM-UHFFFAOYSA-N -1 1 395.400 3.334 20 5 GGBDMM C[C@@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380502 1423250673 /nfs/dbraw/zinc/25/06/73/1423250673.db2.gz UYQLEYYQJRRPCH-SECBINFHSA-N -1 1 387.787 3.311 20 5 GGBDMM O=[N+]([O-])c1cnc(SCc2cccc(OC(F)F)c2)c(-c2nnn[n-]2)c1 ZINC000823651762 1423357901 /nfs/dbraw/zinc/35/79/01/1423357901.db2.gz PDVXNYLJHIXODZ-UHFFFAOYSA-N -1 1 380.336 3.064 20 5 GGBDMM C[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824663458 1423451336 /nfs/dbraw/zinc/45/13/36/1423451336.db2.gz ZPBFLKCTBSYGEZ-QMMMGPOBSA-N -1 1 379.302 3.362 20 5 GGBDMM Cc1cc(F)cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1[N+](=O)[O-] ZINC000822203221 1423538739 /nfs/dbraw/zinc/53/87/39/1423538739.db2.gz JUDNOEAOTZNJQF-UHFFFAOYSA-N -1 1 376.735 3.128 20 5 GGBDMM Cc1ccc(C(=O)C2CCN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826281040 1423566106 /nfs/dbraw/zinc/56/61/06/1423566106.db2.gz ANCBLZKXEMHMIU-UHFFFAOYSA-N -1 1 392.419 3.183 20 5 GGBDMM COc1ccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000826190149 1423575921 /nfs/dbraw/zinc/57/59/21/1423575921.db2.gz RAMWJWUKMJUFKC-INIZCTEOSA-N -1 1 396.407 3.134 20 5 GGBDMM COc1cc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)ccc1[N+](=O)[O-] ZINC000156193210 1423717410 /nfs/dbraw/zinc/71/74/10/1423717410.db2.gz DHELHGSSBOFNHT-UHFFFAOYSA-N -1 1 379.438 3.087 20 5 GGBDMM O=[N+]([O-])c1ccc(NCc2nc(-c3cccc(Cl)c3)no2)c(-c2nn[n-]n2)c1 ZINC000738370362 1429668106 /nfs/dbraw/zinc/66/81/06/1429668106.db2.gz OUVDCUHOJKOKRI-UHFFFAOYSA-N -1 1 398.770 3.090 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000823625489 1423803387 /nfs/dbraw/zinc/80/33/87/1423803387.db2.gz WNSBXBLGWSZYFG-UHFFFAOYSA-N -1 1 395.379 3.345 20 5 GGBDMM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)ccc21 ZINC000156529557 1423823243 /nfs/dbraw/zinc/82/32/43/1423823243.db2.gz FRFUEMQAARXLRE-UHFFFAOYSA-N -1 1 389.433 3.003 20 5 GGBDMM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000738236001 1423860319 /nfs/dbraw/zinc/86/03/19/1423860319.db2.gz OVTJEOWTOMOWRT-UHFFFAOYSA-N -1 1 383.295 3.017 20 5 GGBDMM Cc1c(NC(=O)[C@H](C)Sc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000822061510 1429682815 /nfs/dbraw/zinc/68/28/15/1429682815.db2.gz OPSUJPWPJNXPCT-NSHDSACASA-N -1 1 384.421 3.203 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2ccc(CNCc3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000738366083 1423941262 /nfs/dbraw/zinc/94/12/62/1423941262.db2.gz BMNBWDJPCYQWSZ-UHFFFAOYSA-N -1 1 376.376 3.325 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2ccc(CNCc3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000738366083 1423941266 /nfs/dbraw/zinc/94/12/66/1423941266.db2.gz BMNBWDJPCYQWSZ-UHFFFAOYSA-N -1 1 376.376 3.325 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000738360278 1423948856 /nfs/dbraw/zinc/94/88/56/1423948856.db2.gz USFSFFRHJZBLSE-CQSZACIVSA-N -1 1 395.206 3.227 20 5 GGBDMM COc1ccc2oc([C@@H](C)Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)c(C)c2c1 ZINC000737120345 1423953268 /nfs/dbraw/zinc/95/32/68/1423953268.db2.gz MCDXDBYMUBUZGN-SNVBAGLBSA-N -1 1 395.379 3.406 20 5 GGBDMM C[C@@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000158191124 1424190769 /nfs/dbraw/zinc/19/07/69/1424190769.db2.gz FIGOUFPURZKYDU-JOYOIKCWSA-N -1 1 390.870 3.100 20 5 GGBDMM C[C@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000158191243 1424190828 /nfs/dbraw/zinc/19/08/28/1424190828.db2.gz FIGOUFPURZKYDU-BXKDBHETSA-N -1 1 390.870 3.100 20 5 GGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737262802 1424260441 /nfs/dbraw/zinc/26/04/41/1424260441.db2.gz GGFOIEZVGMBDKS-SREVYHEPSA-N -1 1 384.783 3.389 20 5 GGBDMM O=[N+]([O-])c1ccccc1OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826500742 1424442367 /nfs/dbraw/zinc/44/23/67/1424442367.db2.gz KQZXRXDCGWXWRX-UHFFFAOYSA-N -1 1 376.170 3.116 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1([C@H](O)c2ccccc2)CC1 ZINC000159288874 1424474392 /nfs/dbraw/zinc/47/43/92/1424474392.db2.gz GCBCJNCJODPXEN-MRXNPFEDSA-N -1 1 396.852 3.040 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000159796648 1424536219 /nfs/dbraw/zinc/53/62/19/1424536219.db2.gz OHFASVIQLNTJFO-BBRMVZONSA-N -1 1 394.424 3.180 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000159796585 1424536912 /nfs/dbraw/zinc/53/69/12/1424536912.db2.gz OHFASVIQLNTJFO-XJKSGUPXSA-N -1 1 394.424 3.180 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822270929 1424637568 /nfs/dbraw/zinc/63/75/68/1424637568.db2.gz DLZNSJNFEDYZOT-UHFFFAOYSA-N -1 1 381.396 3.056 20 5 GGBDMM Cc1ccc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c([N+](=O)[O-])c1 ZINC000826291693 1424919504 /nfs/dbraw/zinc/91/95/04/1424919504.db2.gz RDEYRPBGDOCZFF-UHFFFAOYSA-N -1 1 376.380 3.086 20 5 GGBDMM CCc1ccc(C2=CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cc1 ZINC000825704983 1424936544 /nfs/dbraw/zinc/93/65/44/1424936544.db2.gz SLXXCAQSNMIDCQ-UHFFFAOYSA-N -1 1 377.408 3.026 20 5 GGBDMM O=[N+]([O-])c1ccc(N2CCC(OCc3ccccc3F)CC2)c(-c2nnn[n-]2)c1 ZINC000826498941 1424968526 /nfs/dbraw/zinc/96/85/26/1424968526.db2.gz PITVBQMTIBVDDC-UHFFFAOYSA-N -1 1 398.398 3.100 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000163346320 1424982850 /nfs/dbraw/zinc/98/28/50/1424982850.db2.gz NIXXPLLWKODMBV-BBRMVZONSA-N -1 1 396.852 3.447 20 5 GGBDMM Cc1cc([N+](=O)[O-])ccc1NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826272590 1424993705 /nfs/dbraw/zinc/99/37/05/1424993705.db2.gz RDEJEBPYFMLARL-UHFFFAOYSA-N -1 1 395.423 3.280 20 5 GGBDMM O=[N+]([O-])c1ccc(NCc2ccc(OCC(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000826498975 1424997763 /nfs/dbraw/zinc/99/77/63/1424997763.db2.gz QSSMVKYXCUKFNZ-UHFFFAOYSA-N -1 1 394.313 3.328 20 5 GGBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccc(Br)c1 ZINC000820461993 1425082942 /nfs/dbraw/zinc/08/29/42/1425082942.db2.gz UDLDGOSIRWCPPJ-QMMMGPOBSA-N -1 1 390.201 3.106 20 5 GGBDMM CC(C)(C)c1cc(NC(=O)c2csc([N+](=O)[O-])c2)c(-c2nnn[n-]2)s1 ZINC000824131220 1425161046 /nfs/dbraw/zinc/16/10/46/1425161046.db2.gz XPOLJZOELIYGOG-UHFFFAOYSA-N -1 1 378.439 3.448 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H](O)c1cc2ccccc2s1 ZINC000823630253 1425207289 /nfs/dbraw/zinc/20/72/89/1425207289.db2.gz UHYPDANTOSSKHA-CQSZACIVSA-N -1 1 382.405 3.135 20 5 GGBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000170665663 1425284654 /nfs/dbraw/zinc/28/46/54/1425284654.db2.gz WQCXLNATXANLEC-VIFPVBQESA-N -1 1 385.785 3.196 20 5 GGBDMM O=[N+]([O-])c1ccc(N[C@@H](C[C@H]2CCOC2)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000826498584 1425288072 /nfs/dbraw/zinc/28/80/72/1425288072.db2.gz BLARKTPUFQDVHW-ACJLOTCBSA-N -1 1 380.408 3.355 20 5 GGBDMM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cnc(-c2ccco2)s1 ZINC000170899090 1425385221 /nfs/dbraw/zinc/38/52/21/1425385221.db2.gz CYBMUNLYVCPCSA-UHFFFAOYSA-N -1 1 382.361 3.349 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000171041256 1425451105 /nfs/dbraw/zinc/45/11/05/1425451105.db2.gz GZPYNAYANYCVFE-HOTGVXAUSA-N -1 1 396.852 3.447 20 5 GGBDMM C[C@@H]1CN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCCO1 ZINC000171047691 1425454402 /nfs/dbraw/zinc/45/44/02/1425454402.db2.gz XCRUGDBJBGCKDO-CQSZACIVSA-N -1 1 391.449 3.011 20 5 GGBDMM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824705802 1425495054 /nfs/dbraw/zinc/49/50/54/1425495054.db2.gz FCZDCUZOXNLMKX-GFCCVEGCSA-N -1 1 397.391 3.237 20 5 GGBDMM Cc1cc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1C(=O)OC(C)(C)C ZINC000826271489 1425585383 /nfs/dbraw/zinc/58/53/83/1425585383.db2.gz TYSCLCYKXOEPPS-UHFFFAOYSA-N -1 1 397.395 3.177 20 5 GGBDMM O=[N+]([O-])c1cc(F)ccc1OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826498511 1425596265 /nfs/dbraw/zinc/59/62/65/1425596265.db2.gz YITLMYHDMHAKPD-UHFFFAOYSA-N -1 1 394.160 3.256 20 5 GGBDMM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c2C1 ZINC000171346219 1425628990 /nfs/dbraw/zinc/62/89/90/1425628990.db2.gz LMRGNMUDCCHWLT-UHFFFAOYSA-N -1 1 375.450 3.430 20 5 GGBDMM CC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820921352 1425645018 /nfs/dbraw/zinc/64/50/18/1425645018.db2.gz YKTGHFHPPBGCOJ-YVEFUNNKSA-N -1 1 395.423 3.286 20 5 GGBDMM CCOc1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc(Cl)c1[O-] ZINC000171426137 1425673233 /nfs/dbraw/zinc/67/32/33/1425673233.db2.gz REAXSJUYFJKOTM-UHFFFAOYSA-N -1 1 379.800 3.194 20 5 GGBDMM CC(=O)N(Cc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1)C1CC1 ZINC000735460501 1425730267 /nfs/dbraw/zinc/73/02/67/1425730267.db2.gz HUFHTMCSROLNQO-UHFFFAOYSA-N -1 1 393.407 3.029 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000171713184 1425800453 /nfs/dbraw/zinc/80/04/53/1425800453.db2.gz XWPCLIALBJDNOR-CQSZACIVSA-N -1 1 393.421 3.258 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccccc1)c1cccnc1 ZINC000171768429 1425815659 /nfs/dbraw/zinc/81/56/59/1425815659.db2.gz VXEFBYYQDOTHTG-QGZVFWFLSA-N -1 1 387.392 3.197 20 5 GGBDMM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000737948387 1425930340 /nfs/dbraw/zinc/93/03/40/1425930340.db2.gz UYKMILROHRDHOE-UHFFFAOYSA-N -1 1 390.812 3.159 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)ccc1[N+](=O)[O-] ZINC000172183021 1425937202 /nfs/dbraw/zinc/93/72/02/1425937202.db2.gz KUDRZSJSFZDNHM-UHFFFAOYSA-N -1 1 376.369 3.029 20 5 GGBDMM Cc1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(Br)c1 ZINC000822267251 1425981976 /nfs/dbraw/zinc/98/19/76/1425981976.db2.gz PUELWKLUTAQGCX-UHFFFAOYSA-N -1 1 377.158 3.033 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2nc(COc3ccc(-c4nn[n-]n4)c(F)c3)co2)cc1 ZINC000826498481 1426090273 /nfs/dbraw/zinc/09/02/73/1426090273.db2.gz WXBUZVOEPZWTFR-UHFFFAOYSA-N -1 1 382.311 3.148 20 5 GGBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000172688015 1426143305 /nfs/dbraw/zinc/14/33/05/1426143305.db2.gz XPQPQSWPYZSNSX-UHFFFAOYSA-N -1 1 385.307 3.412 20 5 GGBDMM O=[N+]([O-])c1cnc(NCC2(c3ccc(F)cc3Cl)CC2)c(-c2nnn[n-]2)c1 ZINC000826501087 1426209615 /nfs/dbraw/zinc/20/96/15/1426209615.db2.gz YWKOSTCCIDKQPV-UHFFFAOYSA-N -1 1 389.778 3.106 20 5 GGBDMM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000822978183 1426225086 /nfs/dbraw/zinc/22/50/86/1426225086.db2.gz FDXTXFQLMSOYIG-UHFFFAOYSA-N -1 1 387.783 3.104 20 5 GGBDMM O=[N+]([O-])c1cnc(N2CC=C(c3cccc4ccccc43)C2)c(-c2nnn[n-]2)c1 ZINC000826500973 1426396732 /nfs/dbraw/zinc/39/67/32/1426396732.db2.gz UCBRXDRAEVHOCS-UHFFFAOYSA-N -1 1 385.387 3.227 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737372572 1426457144 /nfs/dbraw/zinc/45/71/44/1426457144.db2.gz GSTYDENAMUBFAF-UHFFFAOYSA-N -1 1 397.391 3.238 20 5 GGBDMM CCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1[N+](=O)[O-] ZINC000821417791 1426513829 /nfs/dbraw/zinc/51/38/29/1426513829.db2.gz RVRJUCZJYIQTOT-UHFFFAOYSA-N -1 1 388.771 3.079 20 5 GGBDMM O=C(Cc1ccc(Cl)cc1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826422815 1426550210 /nfs/dbraw/zinc/55/02/10/1426550210.db2.gz NCKLIXNJADOFKW-UHFFFAOYSA-N -1 1 393.190 3.263 20 5 GGBDMM COc1ccc([C@H](C)CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000173380561 1426554142 /nfs/dbraw/zinc/55/41/42/1426554142.db2.gz LBNPQEQMXDFPLN-GFCCVEGCSA-N -1 1 382.413 3.215 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826293694 1426557853 /nfs/dbraw/zinc/55/78/53/1426557853.db2.gz YPNKPQYDOQYGBW-SECBINFHSA-N -1 1 389.318 3.280 20 5 GGBDMM COc1ccc(COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826207234 1426564429 /nfs/dbraw/zinc/56/44/29/1426564429.db2.gz GIEAUQUFGFHAAS-UHFFFAOYSA-N -1 1 395.297 3.381 20 5 GGBDMM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736204564 1426627323 /nfs/dbraw/zinc/62/73/23/1426627323.db2.gz RSCNIKAABRWNBZ-AWEZNQCLSA-N -1 1 394.435 3.379 20 5 GGBDMM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736204564 1426627327 /nfs/dbraw/zinc/62/73/27/1426627327.db2.gz RSCNIKAABRWNBZ-AWEZNQCLSA-N -1 1 394.435 3.379 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cnc(C2CC2)s1 ZINC000826451011 1426632709 /nfs/dbraw/zinc/63/27/09/1426632709.db2.gz MCHILWYEKHPARU-UHFFFAOYSA-N -1 1 391.800 3.015 20 5 GGBDMM C[C@@H](Cc1ccc(C(F)(F)F)cc1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820291985 1426719227 /nfs/dbraw/zinc/71/92/27/1426719227.db2.gz BPWTXESZHDFJMD-VIFPVBQESA-N -1 1 393.329 3.232 20 5 GGBDMM C[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824458716 1426740159 /nfs/dbraw/zinc/74/01/59/1426740159.db2.gz XWYUMWDQSZZNPT-JTQLQIEISA-N -1 1 386.799 3.246 20 5 GGBDMM Cc1nc([C@H](C)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cs1 ZINC000822427800 1426750108 /nfs/dbraw/zinc/75/01/08/1426750108.db2.gz VMKWRSMIRRLMRB-QMMMGPOBSA-N -1 1 382.409 3.261 20 5 GGBDMM Cc1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1[N+](=O)[O-] ZINC000826292271 1426896824 /nfs/dbraw/zinc/89/68/24/1426896824.db2.gz OIAXBZLCCHUIOG-UHFFFAOYSA-N -1 1 377.307 3.264 20 5 GGBDMM CO[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000173987878 1426927694 /nfs/dbraw/zinc/92/76/94/1426927694.db2.gz KEIDNAJENCCHQA-ZDUSSCGKSA-N -1 1 388.804 3.053 20 5 GGBDMM O=[N+]([O-])c1ccc(NCCNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000738369577 1427054631 /nfs/dbraw/zinc/05/46/31/1427054631.db2.gz JENBEHWEWYDHBK-UHFFFAOYSA-N -1 1 393.329 3.318 20 5 GGBDMM COc1cccc([C@H]2C[C@H](C)CN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000826215771 1427060887 /nfs/dbraw/zinc/06/08/87/1427060887.db2.gz YNLCMIXSEFCDEA-YVEFUNNKSA-N -1 1 380.408 3.371 20 5 GGBDMM CCOc1cccc2cc([C@H](C)Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)oc21 ZINC000821431573 1427139383 /nfs/dbraw/zinc/13/93/83/1427139383.db2.gz WGHKZSHGGCLHQX-JTQLQIEISA-N -1 1 395.379 3.488 20 5 GGBDMM Cc1ccc(C)c([C@@H]2CN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])[C@H](C)CO2)c1 ZINC000822232192 1427149622 /nfs/dbraw/zinc/14/96/22/1427149622.db2.gz WLWUUWPDVUWXRM-KUHUBIRLSA-N -1 1 394.435 3.358 20 5 GGBDMM C[C@H](c1ccccc1)n1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000820570732 1427234763 /nfs/dbraw/zinc/23/47/63/1427234763.db2.gz PUMRJNYDTMIFLJ-GFCCVEGCSA-N -1 1 376.380 3.324 20 5 GGBDMM O=[N+]([O-])c1cccc(F)c1COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000823647935 1427324461 /nfs/dbraw/zinc/32/44/61/1427324461.db2.gz QGYSMOWCSNWMLS-UHFFFAOYSA-N -1 1 394.160 3.256 20 5 GGBDMM O=[N+]([O-])c1cccc2nc(C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)ccc21 ZINC000738370586 1427374837 /nfs/dbraw/zinc/37/48/37/1427374837.db2.gz WCBRQQRYWAZGTO-ALCCZGGFSA-N -1 1 384.359 3.141 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1OCc1cccc(-c2nnn[n-]2)c1F ZINC000826497482 1427387038 /nfs/dbraw/zinc/38/70/38/1427387038.db2.gz IWENMEARGDTBFJ-UHFFFAOYSA-N -1 1 394.160 3.256 20 5 GGBDMM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000820373144 1427412367 /nfs/dbraw/zinc/41/23/67/1427412367.db2.gz FIGUQSIFWDDQEZ-SECBINFHSA-N -1 1 387.787 3.311 20 5 GGBDMM CCCNc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000821123013 1427456383 /nfs/dbraw/zinc/45/63/83/1427456383.db2.gz HDNCKTPFQUZRTK-UHFFFAOYSA-N -1 1 387.425 3.219 20 5 GGBDMM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000175002478 1427490290 /nfs/dbraw/zinc/49/02/90/1427490290.db2.gz GXMGTKAMXZVQOR-UHFFFAOYSA-N -1 1 391.449 3.023 20 5 GGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1C ZINC000175022048 1427503913 /nfs/dbraw/zinc/50/39/13/1427503913.db2.gz MQKTVFQTLSHWOV-RUZDIDTESA-N -1 1 396.490 3.199 20 5 GGBDMM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823333155 1427634515 /nfs/dbraw/zinc/63/45/15/1427634515.db2.gz YRGWJFCJVXLLLW-UHFFFAOYSA-N -1 1 397.370 3.111 20 5 GGBDMM O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826473910 1427726107 /nfs/dbraw/zinc/72/61/07/1427726107.db2.gz SVWGBZORHLDLOQ-UHFFFAOYSA-N -1 1 398.810 3.233 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCc1cccc(C(F)(F)F)c1 ZINC000823625177 1427770676 /nfs/dbraw/zinc/77/06/76/1427770676.db2.gz SCKWNPJSXUSOGE-UHFFFAOYSA-N -1 1 393.329 3.233 20 5 GGBDMM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738152467 1427784386 /nfs/dbraw/zinc/78/43/86/1427784386.db2.gz UVACRTYAIBIBHZ-UHFFFAOYSA-N -1 1 379.163 3.334 20 5 GGBDMM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000175828624 1427915909 /nfs/dbraw/zinc/91/59/09/1427915909.db2.gz ZKPAWOYKRJAMGZ-UHFFFAOYSA-N -1 1 393.737 3.419 20 5 GGBDMM CC(C)([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000175892570 1427954592 /nfs/dbraw/zinc/95/45/92/1427954592.db2.gz YINBASSWDQGIOQ-UHFFFAOYSA-N -1 1 399.812 3.370 20 5 GGBDMM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc2c(c1)OCCO2 ZINC000820926165 1428002579 /nfs/dbraw/zinc/00/25/79/1428002579.db2.gz PUTGVJYAIYSGII-CQSZACIVSA-N -1 1 382.380 3.109 20 5 GGBDMM CC(=CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942587 1428010208 /nfs/dbraw/zinc/01/02/08/1428010208.db2.gz GTOYRJBOFGYLMH-RSKUSDAESA-N -1 1 379.376 3.483 20 5 GGBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1 ZINC000176054866 1428054091 /nfs/dbraw/zinc/05/40/91/1428054091.db2.gz BMKIPNKQJCZAAX-UHFFFAOYSA-N -1 1 376.312 3.445 20 5 GGBDMM O=[N+]([O-])c1ccc(F)cc1OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826498173 1429883887 /nfs/dbraw/zinc/88/38/87/1429883887.db2.gz JWVWXEZVSRRMCS-UHFFFAOYSA-N -1 1 394.160 3.256 20 5 GGBDMM Cc1ccc([C@@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822228613 1429932790 /nfs/dbraw/zinc/93/27/90/1429932790.db2.gz AJHPXTKSKARKDF-GFCCVEGCSA-N -1 1 398.448 3.053 20 5 GGBDMM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1sccc1-c1nnn[n-]1 ZINC000826420801 1429946816 /nfs/dbraw/zinc/94/68/16/1429946816.db2.gz CWZRVJSYYGRRSB-UHFFFAOYSA-N -1 1 396.841 3.221 20 5 GGBDMM Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822229560 1430022135 /nfs/dbraw/zinc/02/21/35/1430022135.db2.gz XGQVKOUBWSPFOI-OLZOCXBDSA-N -1 1 395.423 3.205 20 5 GGBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cc(CC2CCCCC2)[nH]n1 ZINC000180819382 1430056498 /nfs/dbraw/zinc/05/64/98/1430056498.db2.gz VLUKLTCEIXPIFC-UHFFFAOYSA-N -1 1 378.454 3.383 20 5 GGBDMM CCOc1ccccc1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821431282 1430079848 /nfs/dbraw/zinc/07/98/48/1430079848.db2.gz OJTMJWZJPBUXHA-UHFFFAOYSA-N -1 1 391.391 3.334 20 5 GGBDMM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000736482173 1430114106 /nfs/dbraw/zinc/11/41/06/1430114106.db2.gz WBLMIRQDCSYZCF-UHFFFAOYSA-N -1 1 380.408 3.136 20 5 GGBDMM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000824505731 1430175157 /nfs/dbraw/zinc/17/51/57/1430175157.db2.gz HRVVGJQLNYALLH-SECBINFHSA-N -1 1 387.787 3.311 20 5 GGBDMM CC(C)CN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081660 1430178934 /nfs/dbraw/zinc/17/89/34/1430178934.db2.gz PSWAPDXRKHBYGR-UHFFFAOYSA-N -1 1 394.435 3.397 20 5 GGBDMM O=[N+]([O-])c1ccc(Br)cc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823634165 1430211102 /nfs/dbraw/zinc/21/11/02/1430211102.db2.gz BNEUWZWBLAGFBG-UHFFFAOYSA-N -1 1 393.176 3.289 20 5 GGBDMM O=C([N-]c1nc(-c2cccs2)ns1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000182116679 1430414910 /nfs/dbraw/zinc/41/49/10/1430414910.db2.gz FNFQXMAMFPPXBZ-UHFFFAOYSA-N -1 1 399.417 3.008 20 5 GGBDMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000182862065 1430556020 /nfs/dbraw/zinc/55/60/20/1430556020.db2.gz SUZUTQNLPJIBHQ-NSHDSACASA-N -1 1 395.824 3.259 20 5 GGBDMM CN(C)[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000183894561 1430809863 /nfs/dbraw/zinc/80/98/63/1430809863.db2.gz ZCDOHSYMFCKREQ-HNNXBMFYSA-N -1 1 397.353 3.352 20 5 GGBDMM Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184718013 1430951540 /nfs/dbraw/zinc/95/15/40/1430951540.db2.gz PGBDYNLUONROSY-UHFFFAOYSA-N -1 1 387.461 3.410 20 5 GGBDMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])c4ncccc34)ccc2O1 ZINC000184965407 1431032630 /nfs/dbraw/zinc/03/26/30/1431032630.db2.gz NDIHXMOVULZBMF-LLVKDONJSA-N -1 1 385.401 3.267 20 5 GGBDMM Cc1nn(C)c(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)c1[N+](=O)[O-] ZINC000186108314 1431331904 /nfs/dbraw/zinc/33/19/04/1431331904.db2.gz DFHLIBPXJUEHDJ-UHFFFAOYSA-N -1 1 396.791 3.200 20 5 GGBDMM O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cnc([O-])c([N+](=O)[O-])c1 ZINC000186825473 1431529337 /nfs/dbraw/zinc/52/93/37/1431529337.db2.gz SEKSQDDMOBRXDX-UHFFFAOYSA-N -1 1 381.373 3.324 20 5 GGBDMM O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187044618 1431598728 /nfs/dbraw/zinc/59/87/28/1431598728.db2.gz OOCAPVXQDDMHTM-ZDUSSCGKSA-N -1 1 379.319 3.104 20 5 GGBDMM Cc1ccccc1CN(Cc1cccnc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187558209 1431766599 /nfs/dbraw/zinc/76/65/99/1431766599.db2.gz AVOOZEFJVIZZHJ-UHFFFAOYSA-N -1 1 378.388 3.241 20 5 GGBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)ccc1C ZINC000191788988 1432725227 /nfs/dbraw/zinc/72/52/27/1432725227.db2.gz GGYSNOOADXDVMJ-UHFFFAOYSA-N -1 1 377.422 3.279 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000193391055 1432989509 /nfs/dbraw/zinc/98/95/09/1432989509.db2.gz ZDHSCUXZSVLCNH-GOSISDBHSA-N -1 1 375.384 3.483 20 5 GGBDMM O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193533299 1433015646 /nfs/dbraw/zinc/01/56/46/1433015646.db2.gz GFBJMQKHQPFDQW-UHFFFAOYSA-N -1 1 381.310 3.176 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000193532429 1433015726 /nfs/dbraw/zinc/01/57/26/1433015726.db2.gz FNTBXUQJOHBWNF-AWEZNQCLSA-N -1 1 398.202 3.216 20 5 GGBDMM Cc1cccc(CN(Cc2ccccn2)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000193604933 1433027546 /nfs/dbraw/zinc/02/75/46/1433027546.db2.gz FCOYSOUWIQOREF-UHFFFAOYSA-N -1 1 378.388 3.241 20 5 GGBDMM COc1ccc(-c2csc(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2)cc1 ZINC000193666637 1433037074 /nfs/dbraw/zinc/03/70/74/1433037074.db2.gz YLAFGYIYHFMAMB-UHFFFAOYSA-N -1 1 385.401 3.363 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000193751853 1433052219 /nfs/dbraw/zinc/05/22/19/1433052219.db2.gz FBONIEDKBCIQAK-GFCCVEGCSA-N -1 1 391.811 3.280 20 5 GGBDMM O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193895191 1433079691 /nfs/dbraw/zinc/07/96/91/1433079691.db2.gz NMTNPJLTMUDKQR-LLVKDONJSA-N -1 1 377.225 3.007 20 5 GGBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1C(F)(F)F ZINC000193982664 1433095861 /nfs/dbraw/zinc/09/58/61/1433095861.db2.gz AZMVJUZSFZEVMO-UHFFFAOYSA-N -1 1 388.323 3.349 20 5 GGBDMM COc1cccc(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)c1[N+](=O)[O-] ZINC000194309788 1433159401 /nfs/dbraw/zinc/15/94/01/1433159401.db2.gz USZIGNQMCDLXQM-UHFFFAOYSA-N -1 1 388.380 3.437 20 5 GGBDMM COc1ccc([C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C2CC2)cc1 ZINC000194338609 1433163828 /nfs/dbraw/zinc/16/38/28/1433163828.db2.gz ZXDDQEUYXHQRQB-INIZCTEOSA-N -1 1 380.397 3.172 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCSc2c(F)cccc21 ZINC000194341018 1433164212 /nfs/dbraw/zinc/16/42/12/1433164212.db2.gz MYDYOHSGEWRERH-GFCCVEGCSA-N -1 1 386.401 3.388 20 5 GGBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000194346163 1433164775 /nfs/dbraw/zinc/16/47/75/1433164775.db2.gz RKTUJPOQULZEBH-SECBINFHSA-N -1 1 390.339 3.375 20 5 GGBDMM Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000194597581 1433203599 /nfs/dbraw/zinc/20/35/99/1433203599.db2.gz UCOCJCWBJSXWDL-UHFFFAOYSA-N -1 1 387.461 3.410 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)cc1Br ZINC000194723623 1433220295 /nfs/dbraw/zinc/22/02/95/1433220295.db2.gz ULLSOKLIFSTERC-UHFFFAOYSA-N -1 1 393.165 3.436 20 5 GGBDMM C[C@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194728379 1433221122 /nfs/dbraw/zinc/22/11/22/1433221122.db2.gz MZVCNPXGKGNUJX-SNVBAGLBSA-N -1 1 395.437 3.253 20 5 GGBDMM O=C([O-])C1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000263500004 1434009344 /nfs/dbraw/zinc/00/93/44/1434009344.db2.gz KPMZNFZKSCYNBL-UHFFFAOYSA-N -1 1 381.182 3.134 20 5 GGBDMM Cc1c(C(=O)[N-]c2nnc(CC(F)(F)F)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000268917123 1434571094 /nfs/dbraw/zinc/57/10/94/1434571094.db2.gz BXDAYGOAHBEEMY-UHFFFAOYSA-N -1 1 391.287 3.020 20 5 GGBDMM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000269161106 1434599808 /nfs/dbraw/zinc/59/98/08/1434599808.db2.gz UOPRRKLMAKKILF-UHFFFAOYSA-N -1 1 393.403 3.105 20 5 GGBDMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272354724 1434889717 /nfs/dbraw/zinc/88/97/17/1434889717.db2.gz RHMMARDMFMPWNQ-UHFFFAOYSA-N -1 1 398.269 3.405 20 5 GGBDMM CC[C@H](C)NC(=O)c1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000272874630 1434937922 /nfs/dbraw/zinc/93/79/22/1434937922.db2.gz UAYPKOLMPSTELL-JTQLQIEISA-N -1 1 397.478 3.332 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273532534 1434994896 /nfs/dbraw/zinc/99/48/96/1434994896.db2.gz RDLUMPQHGJMEIA-ZFWWWQNUSA-N -1 1 398.387 3.072 20 5 GGBDMM CCOc1cc(-c2noc(CCn3cc([N+](=O)[O-])nc3C)n2)cc(Cl)c1[O-] ZINC000277843218 1435335487 /nfs/dbraw/zinc/33/54/87/1435335487.db2.gz IWFIYTIFELJIEL-UHFFFAOYSA-N -1 1 393.787 3.150 20 5 GGBDMM O=C([N-]CC1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1)C(F)(F)F ZINC000281757567 1435820934 /nfs/dbraw/zinc/82/09/34/1435820934.db2.gz FZHKYIDAOIZFFX-UHFFFAOYSA-N -1 1 382.342 3.038 20 5 GGBDMM COc1ccc(CNc2nc3ccc([N+](=O)[O-])cc3s2)cc1-c1nn[n-]n1 ZINC000826204738 1441508221 /nfs/dbraw/zinc/50/82/21/1441508221.db2.gz XODLXUSCVDLRSB-UHFFFAOYSA-N -1 1 383.393 3.005 20 5 GGBDMM CC(C)C[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824244062 1441535058 /nfs/dbraw/zinc/53/50/58/1441535058.db2.gz QEKKUKRXGVUNFH-JSGCOSHPSA-N -1 1 397.439 3.329 20 5 GGBDMM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C=C(C)c1ccc([N+](=O)[O-])cc1 ZINC000825609491 1441578161 /nfs/dbraw/zinc/57/81/61/1441578161.db2.gz NRZBCRKRJZPBHL-BENRWUELSA-N -1 1 395.375 3.183 20 5 GGBDMM O=[N+]([O-])c1cnc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(Cl)c1 ZINC000826500666 1441682809 /nfs/dbraw/zinc/68/28/09/1441682809.db2.gz HLKZTBYFKHBYII-UHFFFAOYSA-N -1 1 383.799 3.117 20 5 GGBDMM CCCOc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1OC ZINC000825339284 1441720736 /nfs/dbraw/zinc/72/07/36/1441720736.db2.gz VMQPWAADORWFQK-UHFFFAOYSA-N -1 1 384.396 3.184 20 5 GGBDMM O=[N+]([O-])c1ccc(N(Cc2cccs2)C[C@H]2CCCO2)c(-c2nnn[n-]2)c1 ZINC000823640243 1441720915 /nfs/dbraw/zinc/72/09/15/1441720915.db2.gz YTRCRBREUZWVBB-CYBMUJFWSA-N -1 1 386.437 3.022 20 5 GGBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826272277 1441778396 /nfs/dbraw/zinc/77/83/96/1441778396.db2.gz BOZCGAAZTQFSQO-UHFFFAOYSA-N -1 1 390.403 3.013 20 5 GGBDMM C[C@@H](OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824708676 1441860705 /nfs/dbraw/zinc/86/07/05/1441860705.db2.gz ZKXWNSKAVGQMIZ-SNVBAGLBSA-N -1 1 389.318 3.171 20 5 GGBDMM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc([N+](=O)[O-])c(OC)c1 ZINC000825352120 1441877937 /nfs/dbraw/zinc/87/79/37/1441877937.db2.gz KDRNMZSCYCIPGC-UHFFFAOYSA-N -1 1 379.380 3.210 20 5 GGBDMM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825625669 1441889362 /nfs/dbraw/zinc/88/93/62/1441889362.db2.gz AYGNVDZTCKMLLV-UHFFFAOYSA-N -1 1 388.771 3.079 20 5 GGBDMM CC(=CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000823943962 1441892708 /nfs/dbraw/zinc/89/27/08/1441892708.db2.gz WBMMAPYQJYRLTP-DHZHZOJOSA-N -1 1 383.339 3.061 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2ccc(CNCc3ccc(-c4nnn[n-]4)cc3F)o2)c1 ZINC000738366643 1441971844 /nfs/dbraw/zinc/97/18/44/1441971844.db2.gz GPVFNQRFBPRQOD-UHFFFAOYSA-N -1 1 394.366 3.464 20 5 GGBDMM O=[N+]([O-])c1cccc(CNc2ccc(Br)cc2-c2nnn[n-]2)c1 ZINC000826499601 1441979348 /nfs/dbraw/zinc/97/93/48/1441979348.db2.gz PBGNOSHVPZLLCW-UHFFFAOYSA-N -1 1 375.186 3.150 20 5 GGBDMM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000823242348 1442037927 /nfs/dbraw/zinc/03/79/27/1442037927.db2.gz VNXSPIMCSXFSDF-UHFFFAOYSA-N -1 1 398.379 3.059 20 5 GGBDMM Cc1ccc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c([N+](=O)[O-])c1 ZINC000826291800 1442051137 /nfs/dbraw/zinc/05/11/37/1442051137.db2.gz WMWYKBBAMOFWTH-UHFFFAOYSA-N -1 1 395.423 3.280 20 5 GGBDMM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000826408559 1442125635 /nfs/dbraw/zinc/12/56/35/1442125635.db2.gz LQIHSXMWSWHMLC-UHFFFAOYSA-N -1 1 387.783 3.104 20 5 GGBDMM O=[N+]([O-])c1cnc(Nc2cccc(CCC(F)(F)F)c2)c(-c2nn[n-]n2)c1 ZINC000823651430 1442159429 /nfs/dbraw/zinc/15/94/29/1442159429.db2.gz JIEIIQDBVFGHAA-UHFFFAOYSA-N -1 1 379.302 3.408 20 5 GGBDMM O=[N+]([O-])c1cnc(N2CCC[C@H](c3cc4ccccc4[nH]3)C2)c(-c2nnn[n-]2)c1 ZINC000738370278 1442172249 /nfs/dbraw/zinc/17/22/49/1442172249.db2.gz UGKAFHCTLZNTKR-ZDUSSCGKSA-N -1 1 390.407 3.035 20 5 GGBDMM CSc1cc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)ccn1 ZINC000826230187 1442183816 /nfs/dbraw/zinc/18/38/16/1442183816.db2.gz IKMOEVLKQVIOQY-UHFFFAOYSA-N -1 1 394.420 3.052 20 5 GGBDMM COc1cc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)ccc1C ZINC000821717673 1442257089 /nfs/dbraw/zinc/25/70/89/1442257089.db2.gz SRKMRQZDCPXDLY-UHFFFAOYSA-N -1 1 391.391 3.252 20 5 GGBDMM Cc1cccc([C@H](C)C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826296153 1442307014 /nfs/dbraw/zinc/30/70/14/1442307014.db2.gz KZYNMHQKXSRRFA-JTQLQIEISA-N -1 1 386.799 3.479 20 5 GGBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821607252 1442409899 /nfs/dbraw/zinc/40/98/99/1442409899.db2.gz GDAIVSMKSFDZAN-UHFFFAOYSA-N -1 1 380.195 3.113 20 5 GGBDMM CN(Cc1ccc(Cl)cc1Cl)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821610081 1443084701 /nfs/dbraw/zinc/08/47/01/1443084701.db2.gz ZMGNDBYAFWRORY-UHFFFAOYSA-N -1 1 380.195 3.113 20 5 GGBDMM Cc1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1[N+](=O)[O-] ZINC000826288852 1443090009 /nfs/dbraw/zinc/09/00/09/1443090009.db2.gz ZCTMOGGYVRTBME-UHFFFAOYSA-N -1 1 394.370 3.020 20 5 GGBDMM COc1ccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000737094883 1443112942 /nfs/dbraw/zinc/11/29/42/1443112942.db2.gz BXBPBLINFOSYDY-UHFFFAOYSA-N -1 1 394.313 3.414 20 5 GGBDMM O=[N+]([O-])c1ccc(CCCCNc2nc3c(cc2-c2nnn[n-]2)CCC3)cc1 ZINC000738361701 1443121294 /nfs/dbraw/zinc/12/12/94/1443121294.db2.gz YWQUOPVHWIDBIR-UHFFFAOYSA-N -1 1 379.424 3.093 20 5 GGBDMM CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1-c1nnn[n-]1 ZINC000825829988 1443217458 /nfs/dbraw/zinc/21/74/58/1443217458.db2.gz NKAOBQKKHTZVCE-UHFFFAOYSA-N -1 1 392.297 3.070 20 5 GGBDMM CC[C@@H]1CCN(c2cc(N3CC[C@H](CC)C3)cc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820989719 1443232437 /nfs/dbraw/zinc/23/24/37/1443232437.db2.gz ZIKYQAPQFVBZJV-UONOGXRCSA-N -1 1 385.472 3.248 20 5 GGBDMM COc1cc(CSc2nc3c(c(C)c2-c2nnn[n-]2)CCC3)ccc1[N+](=O)[O-] ZINC000826180071 1443239991 /nfs/dbraw/zinc/23/99/91/1443239991.db2.gz RCCAJNNTRUVSQH-UHFFFAOYSA-N -1 1 398.448 3.268 20 5 GGBDMM Cc1ccc2[nH]c([C@H]3CCCN3c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])nc2c1 ZINC000822271338 1443249438 /nfs/dbraw/zinc/24/94/38/1443249438.db2.gz XVSILJNPRRUBHO-MRXNPFEDSA-N -1 1 390.407 3.301 20 5 GGBDMM Cc1ccc2nc([C@H]3CCCN3c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])[nH]c2c1 ZINC000822271338 1443249441 /nfs/dbraw/zinc/24/94/41/1443249441.db2.gz XVSILJNPRRUBHO-MRXNPFEDSA-N -1 1 390.407 3.301 20 5 GGBDMM Cc1ccc2nc([C@H]3CCCN3c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])[nH]c2c1 ZINC000822271338 1443249445 /nfs/dbraw/zinc/24/94/45/1443249445.db2.gz XVSILJNPRRUBHO-MRXNPFEDSA-N -1 1 390.407 3.301 20 5 GGBDMM O=C(Cc1cc2ccccc2o1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826421434 1443251193 /nfs/dbraw/zinc/25/11/93/1443251193.db2.gz HWSPHEPPHGBQRC-UHFFFAOYSA-N -1 1 398.766 3.356 20 5 GGBDMM CC(=CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000823944196 1443300984 /nfs/dbraw/zinc/30/09/84/1443300984.db2.gz ZTYAMXIXUFYDDP-MDZDMXLPSA-N -1 1 396.432 3.367 20 5 GGBDMM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737852943 1443330722 /nfs/dbraw/zinc/33/07/22/1443330722.db2.gz HVGRYFSUGTVKNI-UHFFFAOYSA-N -1 1 387.783 3.104 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cc2occc2s1 ZINC000826450977 1443436595 /nfs/dbraw/zinc/43/65/95/1443436595.db2.gz KYYXUGDRRITPHJ-UHFFFAOYSA-N -1 1 390.768 3.488 20 5 GGBDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000737804200 1443453963 /nfs/dbraw/zinc/45/39/63/1443453963.db2.gz ZQBXVBDRTYVBIL-YVMONPNESA-N -1 1 385.767 3.185 20 5 GGBDMM O=[N+]([O-])c1ccc(NCCOc2ccc3ccccc3c2)c(-c2nnn[n-]2)c1 ZINC000823640024 1443517852 /nfs/dbraw/zinc/51/78/52/1443517852.db2.gz PPQSIBQSVSKMLC-UHFFFAOYSA-N -1 1 376.376 3.419 20 5 GGBDMM CC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1ccccc1Cl ZINC000820909119 1443553405 /nfs/dbraw/zinc/55/34/05/1443553405.db2.gz UCOAKHQJFFOQLF-LLVKDONJSA-N -1 1 389.803 3.093 20 5 GGBDMM COc1ccc(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000826204002 1443559637 /nfs/dbraw/zinc/55/96/37/1443559637.db2.gz RJPVKDANHUKQDD-UHFFFAOYSA-N -1 1 394.313 3.414 20 5 GGBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000825674719 1443562727 /nfs/dbraw/zinc/56/27/27/1443562727.db2.gz RGWNNPHDELQDGJ-UHFFFAOYSA-N -1 1 384.421 3.448 20 5 GGBDMM Cc1ccc(N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)cc1 ZINC000822242377 1443563288 /nfs/dbraw/zinc/56/32/88/1443563288.db2.gz JPZQXTUGOOYOSG-HNNXBMFYSA-N -1 1 379.424 3.164 20 5 GGBDMM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736136775 1443578396 /nfs/dbraw/zinc/57/83/96/1443578396.db2.gz HLAFHWPZJJAGSI-MRVPVSSYSA-N -1 1 384.787 3.478 20 5 GGBDMM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826452719 1443744460 /nfs/dbraw/zinc/74/44/60/1443744460.db2.gz FMFSJWGFJYYRKN-UHFFFAOYSA-N -1 1 395.766 3.229 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N3CCCc4ccccc4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823644684 1443747474 /nfs/dbraw/zinc/74/74/74/1443747474.db2.gz KHRXBRVSSCEYGC-UHFFFAOYSA-N -1 1 387.403 3.276 20 5 GGBDMM O=[N+]([O-])c1cc(F)cc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000823635256 1443754990 /nfs/dbraw/zinc/75/49/90/1443754990.db2.gz UNIJAZVFPFLIMP-UHFFFAOYSA-N -1 1 381.270 3.094 20 5 GGBDMM COC(=O)c1cc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc(C)c1[N+](=O)[O-] ZINC000821668163 1443769475 /nfs/dbraw/zinc/76/94/75/1443769475.db2.gz SFWIOZSXNCRWCM-LLVKDONJSA-N -1 1 382.380 3.043 20 5 GGBDMM C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497371 1443777168 /nfs/dbraw/zinc/77/71/68/1443777168.db2.gz QOZBMOPVHQXELX-SNVBAGLBSA-N -1 1 387.783 3.275 20 5 GGBDMM CC[C@H](OC1CCCC1)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825152582 1443796721 /nfs/dbraw/zinc/79/67/21/1443796721.db2.gz CAXVTHIYLOBAHS-ZDUSSCGKSA-N -1 1 394.819 3.105 20 5 GGBDMM C[C@H](CCc1ccco1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000735992795 1443815093 /nfs/dbraw/zinc/81/50/93/1443815093.db2.gz NCBILYLQKZURJI-LLVKDONJSA-N -1 1 379.380 3.349 20 5 GGBDMM CCOc1cccc2cc([C@@H](C)Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])oc21 ZINC000821431625 1443835889 /nfs/dbraw/zinc/83/58/89/1443835889.db2.gz XXZNZAWFVKLHIL-SNVBAGLBSA-N -1 1 395.379 3.488 20 5 GGBDMM CN(C)c1cccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC000825880047 1443836239 /nfs/dbraw/zinc/83/62/39/1443836239.db2.gz VTPYGQRTXDBNNH-QGZVFWFLSA-N -1 1 379.424 3.182 20 5 GGBDMM CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825380076 1443872496 /nfs/dbraw/zinc/87/24/96/1443872496.db2.gz NWWSWYUMYXQVKD-UHFFFAOYSA-N -1 1 390.762 3.234 20 5 GGBDMM COc1ccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826204000 1443881273 /nfs/dbraw/zinc/88/12/73/1443881273.db2.gz RHZOLTLKUKCXPW-UHFFFAOYSA-N -1 1 394.313 3.414 20 5 GGBDMM CC(C)(C)n1ncc2c1CCC[C@H]2Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000819975790 1443911407 /nfs/dbraw/zinc/91/14/07/1443911407.db2.gz CVRZXBQIKIWYOS-CYBMUJFWSA-N -1 1 382.428 3.216 20 5 GGBDMM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000826253901 1443947018 /nfs/dbraw/zinc/94/70/18/1443947018.db2.gz KHMZOEUXVSKYKK-UHFFFAOYSA-N -1 1 379.332 3.187 20 5 GGBDMM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000737853520 1443964571 /nfs/dbraw/zinc/96/45/71/1443964571.db2.gz MNPUQFXKXIIWAB-UHFFFAOYSA-N -1 1 387.783 3.104 20 5 GGBDMM CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821615832 1444015771 /nfs/dbraw/zinc/01/57/71/1444015771.db2.gz PUAPBLGOZPZQGR-UHFFFAOYSA-N -1 1 387.787 3.092 20 5 GGBDMM O=[N+]([O-])c1ccc(OCCNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000738367533 1444017349 /nfs/dbraw/zinc/01/73/49/1444017349.db2.gz VDFGARIMGPTASB-UHFFFAOYSA-N -1 1 394.313 3.285 20 5 GGBDMM Cc1ccccc1CCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826306847 1446102606 /nfs/dbraw/zinc/10/26/06/1446102606.db2.gz NJRFREMPYPYWCY-UHFFFAOYSA-N -1 1 386.799 3.308 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N[C@H]3CCc4c3cccc4O)cc(-c3nnn[n-]3)c2c1 ZINC000826499669 1446128727 /nfs/dbraw/zinc/12/87/27/1446128727.db2.gz RSDKHTVYWXZWJB-HNNXBMFYSA-N -1 1 389.375 3.128 20 5 GGBDMM C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820390522 1446144243 /nfs/dbraw/zinc/14/42/43/1446144243.db2.gz IATIOGBNDACZRU-JTQLQIEISA-N -1 1 378.348 3.012 20 5 GGBDMM Cc1nnc(SCc2ccc([N+](=O)[O-])cc2Cl)c(-c2nnn[n-]2)c1C ZINC000826337711 1446159334 /nfs/dbraw/zinc/15/93/34/1446159334.db2.gz YLYLLCHWNQBSEH-UHFFFAOYSA-N -1 1 377.817 3.127 20 5 GGBDMM CC(C)(C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000824064523 1446170114 /nfs/dbraw/zinc/17/01/14/1446170114.db2.gz KBJQKVQHYFOKLE-UHFFFAOYSA-N -1 1 386.799 3.345 20 5 GGBDMM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccsc1 ZINC000824047293 1446243894 /nfs/dbraw/zinc/24/38/94/1446243894.db2.gz ZQOYUUCXNNLJNB-SSDOTTSWSA-N -1 1 378.801 3.232 20 5 GGBDMM CCOc1ccc(C2=CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)cc1 ZINC000825638887 1446286796 /nfs/dbraw/zinc/28/67/96/1446286796.db2.gz QMYPHWQZIAKBET-UHFFFAOYSA-N -1 1 392.419 3.467 20 5 GGBDMM Cc1sc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC000822203137 1446317247 /nfs/dbraw/zinc/31/72/47/1446317247.db2.gz GFTGWJSEMDDZKI-UHFFFAOYSA-N -1 1 376.373 3.153 20 5 GGBDMM Cc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1F ZINC000826296339 1446336386 /nfs/dbraw/zinc/33/63/86/1446336386.db2.gz SCMXWBRAGJWJFK-UHFFFAOYSA-N -1 1 376.735 3.128 20 5 GGBDMM Cc1ccc([C@@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822230382 1446340920 /nfs/dbraw/zinc/34/09/20/1446340920.db2.gz FAXJXQAPHLUKIJ-WTNCMQEWSA-N -1 1 379.376 3.401 20 5 GGBDMM O=[N+]([O-])c1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)cc1 ZINC000826498031 1446385190 /nfs/dbraw/zinc/38/51/90/1446385190.db2.gz DYEXGVSVTCRXRU-UHFFFAOYSA-N -1 1 396.798 3.226 20 5 GGBDMM CCCNc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000736488004 1446457674 /nfs/dbraw/zinc/45/76/74/1446457674.db2.gz NNJSEXRBMLCENF-UHFFFAOYSA-N -1 1 381.396 3.158 20 5 GGBDMM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737965676 1446501558 /nfs/dbraw/zinc/50/15/58/1446501558.db2.gz CTLAEODRVKVWIM-UHFFFAOYSA-N -1 1 393.190 3.263 20 5 GGBDMM CCc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821476488 1446514207 /nfs/dbraw/zinc/51/42/07/1446514207.db2.gz OQFFLPIEVBRRMZ-UHFFFAOYSA-N -1 1 396.407 3.377 20 5 GGBDMM CC(=CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823943487 1446536231 /nfs/dbraw/zinc/53/62/31/1446536231.db2.gz PVGGPZFCYHDIBS-YLGBQOPLSA-N -1 1 379.376 3.483 20 5 GGBDMM CO[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000821677495 1446553717 /nfs/dbraw/zinc/55/37/17/1446553717.db2.gz YISALORKPDSXRC-KRWDZBQOSA-N -1 1 391.391 3.123 20 5 GGBDMM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822233337 1446613610 /nfs/dbraw/zinc/61/36/10/1446613610.db2.gz MXHJSOYMAOAVJM-PBHICJAKSA-N -1 1 395.423 3.058 20 5 GGBDMM O=[N+]([O-])c1ccc(Oc2cccc(Nc3ccc(-c4nn[n-]n4)nn3)c2)cc1 ZINC000826499539 1446642577 /nfs/dbraw/zinc/64/25/77/1446642577.db2.gz MPGURIUPOAVPLS-UHFFFAOYSA-N -1 1 376.336 3.101 20 5 GGBDMM CC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820920149 1446699743 /nfs/dbraw/zinc/69/97/43/1446699743.db2.gz LUPBADFBWDHYBH-YVEFUNNKSA-N -1 1 395.423 3.286 20 5 GGBDMM CCS[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C(C)C ZINC000825669335 1446704364 /nfs/dbraw/zinc/70/43/64/1446704364.db2.gz VCQGXDMCYBTCFC-GFCCVEGCSA-N -1 1 384.849 3.145 20 5 GGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CNC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824334510 1446719477 /nfs/dbraw/zinc/71/94/77/1446719477.db2.gz WOOZPVOBUCBXDB-UHFFFAOYSA-N -1 1 394.435 3.341 20 5 GGBDMM CC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820920147 1446730687 /nfs/dbraw/zinc/73/06/87/1446730687.db2.gz LUPBADFBWDHYBH-SJCJKPOMSA-N -1 1 395.423 3.286 20 5 GGBDMM Cc1ccc(-c2nc(CCNc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)co2)cc1 ZINC000737287542 1446774091 /nfs/dbraw/zinc/77/40/91/1446774091.db2.gz FNDPKUWKJUGXFT-UHFFFAOYSA-N -1 1 391.391 3.393 20 5 GGBDMM O=[N+]([O-])c1ccc(N2CCC(c3nc4ccccc4[nH]3)CC2)cc1-c1nnn[n-]1 ZINC000826498607 1446782713 /nfs/dbraw/zinc/78/27/13/1446782713.db2.gz COSWVNYXHGFLAM-UHFFFAOYSA-N -1 1 390.407 3.035 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000822270938 1446801581 /nfs/dbraw/zinc/80/15/81/1446801581.db2.gz DZVCUNOQKBAAJM-UHFFFAOYSA-N -1 1 384.421 3.123 20 5 GGBDMM Cc1cc(F)c(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1F ZINC000826267964 1446821237 /nfs/dbraw/zinc/82/12/37/1446821237.db2.gz DUPHAIPBJSLRAM-UHFFFAOYSA-N -1 1 394.725 3.267 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCO[C@H](c2ccccc2Cl)C1 ZINC000738357623 1446897173 /nfs/dbraw/zinc/89/71/73/1446897173.db2.gz GQVXYBRFQDQHKM-INIZCTEOSA-N -1 1 386.799 3.006 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(COC2CCCC2)cc1 ZINC000823625611 1446925725 /nfs/dbraw/zinc/92/57/25/1446925725.db2.gz ZURJVYCRSJUPNX-UHFFFAOYSA-N -1 1 381.396 3.373 20 5 GGBDMM CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376362 1446953646 /nfs/dbraw/zinc/95/36/46/1446953646.db2.gz FSWYDNIEENEKMG-UHFFFAOYSA-N -1 1 386.799 3.024 20 5 GGBDMM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000737472324 1446966453 /nfs/dbraw/zinc/96/64/53/1446966453.db2.gz ZPTKXNNJBSMDPP-UHFFFAOYSA-N -1 1 377.817 3.127 20 5 GGBDMM CC(=CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000823942889 1446994109 /nfs/dbraw/zinc/99/41/09/1446994109.db2.gz KUOVHUXIKBHGNU-FMIVXFBMSA-N -1 1 395.423 3.373 20 5 GGBDMM Cc1cc([N+](=O)[O-])ccc1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826272734 1447092375 /nfs/dbraw/zinc/09/23/75/1447092375.db2.gz YPXHEZXGGBLGHN-UHFFFAOYSA-N -1 1 376.380 3.086 20 5 GGBDMM C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824505915 1447097017 /nfs/dbraw/zinc/09/70/17/1447097017.db2.gz JWFPLAKUFVSYCL-SECBINFHSA-N -1 1 387.787 3.311 20 5 GGBDMM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000820152476 1447104203 /nfs/dbraw/zinc/10/42/03/1447104203.db2.gz ZGRWXFNAKFFQIB-UHFFFAOYSA-N -1 1 396.407 3.133 20 5 GGBDMM Cc1ccc(-c2nn[n-]n2)cc1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000826278751 1447228113 /nfs/dbraw/zinc/22/81/13/1447228113.db2.gz QRXNNPLNNJJXCT-UHFFFAOYSA-N -1 1 377.364 3.350 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccc(Cl)c1 ZINC000826451232 1447262889 /nfs/dbraw/zinc/26/28/89/1447262889.db2.gz WPFYWIKGQNQGIL-UHFFFAOYSA-N -1 1 379.163 3.334 20 5 GGBDMM O=[N+]([O-])c1cnc(N[C@H]2CC=C(c3ccc(F)cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000826501051 1447282202 /nfs/dbraw/zinc/28/22/02/1447282202.db2.gz XLXDLTRUIHCYPO-AWEZNQCLSA-N -1 1 381.371 3.357 20 5 GGBDMM O=[N+]([O-])c1ccc(N(Cc2cccs2)C[C@@H]2CCCO2)c(-c2nnn[n-]2)c1 ZINC000823640244 1449187417 /nfs/dbraw/zinc/18/74/17/1449187417.db2.gz YTRCRBREUZWVBB-ZDUSSCGKSA-N -1 1 386.437 3.022 20 5 GGBDMM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccc(-n2cccn2)c1 ZINC000820461317 1449349449 /nfs/dbraw/zinc/34/94/49/1449349449.db2.gz HHLCDYNPSSJNAA-GFCCVEGCSA-N -1 1 376.380 3.134 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(CCC(F)(F)F)cc1 ZINC000823625382 1449582939 /nfs/dbraw/zinc/58/29/39/1449582939.db2.gz TXLGWRFXIQGPNG-UHFFFAOYSA-N -1 1 379.302 3.408 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCCc3ccc(F)cc3F)cc(-c3nnn[n-]3)c2c1 ZINC000823645519 1449722266 /nfs/dbraw/zinc/72/22/66/1449722266.db2.gz SQAJOECPFDWIFL-UHFFFAOYSA-N -1 1 397.345 3.256 20 5 GGBDMM CSc1ccccc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826231148 1449793717 /nfs/dbraw/zinc/79/37/17/1449793717.db2.gz ZATHFZKXMFPBML-UHFFFAOYSA-N -1 1 390.812 3.403 20 5 GGBDMM COc1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000737096842 1449858496 /nfs/dbraw/zinc/85/84/96/1449858496.db2.gz ZXAPWHIYVQOGEN-UHFFFAOYSA-N -1 1 394.313 3.414 20 5 GGBDMM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000737469620 1449871278 /nfs/dbraw/zinc/87/12/78/1449871278.db2.gz AKEQFRVCGRZXII-UHFFFAOYSA-N -1 1 377.817 3.127 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(N2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000822271160 1449899547 /nfs/dbraw/zinc/89/95/47/1449899547.db2.gz OVSKSKLIEAKMIJ-UHFFFAOYSA-N -1 1 380.408 3.131 20 5 GGBDMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC12CCC2 ZINC000824962321 1450011878 /nfs/dbraw/zinc/01/18/78/1450011878.db2.gz SMVZEIWVFKNPIV-GFCCVEGCSA-N -1 1 379.424 3.340 20 5 GGBDMM CC(C)(C)c1ccc2c(c1)CN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC000824137259 1450020778 /nfs/dbraw/zinc/02/07/78/1450020778.db2.gz ZTKVEHHLCWXSGH-UHFFFAOYSA-N -1 1 379.424 3.030 20 5 GGBDMM O=[N+]([O-])c1ccc(Oc2cccc(Nc3nccnc3-c3nn[n-]n3)c2)cc1 ZINC000738366934 1450074258 /nfs/dbraw/zinc/07/42/58/1450074258.db2.gz KXVQJMXMCCPZMU-UHFFFAOYSA-N -1 1 376.336 3.101 20 5 GGBDMM CC(=CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823943379 1450089776 /nfs/dbraw/zinc/08/97/76/1450089776.db2.gz PHMJEFZXLCCLAI-HHQWOOOKSA-N -1 1 378.392 3.056 20 5 GGBDMM O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823430210 1450247235 /nfs/dbraw/zinc/24/72/35/1450247235.db2.gz HKERXWIPPTUTHL-UHFFFAOYSA-N -1 1 393.281 3.151 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCCCc3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000738366632 1450312857 /nfs/dbraw/zinc/31/28/57/1450312857.db2.gz GHZRXOAFZZFZOB-UHFFFAOYSA-N -1 1 375.392 3.368 20 5 GGBDMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3CC[C@H](C)[C@@H]3C)c2)[C@H]1C ZINC000820728833 1450391730 /nfs/dbraw/zinc/39/17/30/1450391730.db2.gz ZDBFGEKMFQHTGN-RFGFWPKPSA-N -1 1 385.472 3.244 20 5 GGBDMM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000826465282 1450509568 /nfs/dbraw/zinc/50/95/68/1450509568.db2.gz GQOVHYIHYZEMDT-UHFFFAOYSA-N -1 1 398.766 3.267 20 5 GGBDMM O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001595017186 951297224 /nfs/dbraw/zinc/29/72/24/951297224.db2.gz RWPZTRVBFUSEMK-NSHDSACASA-N -1 1 394.815 3.375 20 5 GGBDMM O=C([O-])CC[C@@H]1CCCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001595017186 951297235 /nfs/dbraw/zinc/29/72/35/951297235.db2.gz RWPZTRVBFUSEMK-NSHDSACASA-N -1 1 394.815 3.375 20 5 GGBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@@H]2C(=O)[O-])cc1OC ZINC000566354202 953625639 /nfs/dbraw/zinc/62/56/39/953625639.db2.gz QHJNMHIWDMYGAC-DZGCQCFKSA-N -1 1 380.441 3.467 20 5 GGBDMM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000593742468 953754891 /nfs/dbraw/zinc/75/48/91/953754891.db2.gz MTRMNEAAJXVVEJ-ZIAGYGMSSA-N -1 1 380.441 3.325 20 5 GGBDMM O=C([O-])[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001594843755 954109610 /nfs/dbraw/zinc/10/96/10/954109610.db2.gz OOYXEOXWVFTOFA-CQSZACIVSA-N -1 1 383.173 3.412 20 5 GGBDMM COc1cc(CNCc2ccccc2C(=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC001594058490 958063707 /nfs/dbraw/zinc/06/37/07/958063707.db2.gz ZXMLTMROQITQKU-UHFFFAOYSA-N -1 1 396.346 3.235 20 5 GGBDMM CCC(CC)(CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001603543252 973598730 /nfs/dbraw/zinc/59/87/30/973598730.db2.gz NXYZHKGGJMAYNF-UHFFFAOYSA-N -1 1 399.252 3.071 20 5 GGBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)n1 ZINC000567238265 974629777 /nfs/dbraw/zinc/62/97/77/974629777.db2.gz DFXKPERWNXJGHA-CQSZACIVSA-N -1 1 394.391 3.123 20 5 GGBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)n1 ZINC000567238265 974629782 /nfs/dbraw/zinc/62/97/82/974629782.db2.gz DFXKPERWNXJGHA-CQSZACIVSA-N -1 1 394.391 3.123 20 5 GGBDMM C[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000582005816 974919105 /nfs/dbraw/zinc/91/91/05/974919105.db2.gz MODTYTVCKLVFGF-LBPRGKRZSA-N -1 1 375.450 3.142 20 5 GGBDMM O=C([O-])c1cnc(C2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)s1 ZINC000600675184 975005980 /nfs/dbraw/zinc/00/59/80/975005980.db2.gz JSRSELIWXKMWIK-UHFFFAOYSA-N -1 1 377.422 3.008 20 5 GGBDMM CC(C)c1cc([C@@H]2CCCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2)n[nH]1 ZINC001591931055 976431721 /nfs/dbraw/zinc/43/17/21/976431721.db2.gz GRZFYQSNRQWMPL-GFCCVEGCSA-N -1 1 386.408 3.159 20 5 GGBDMM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000706170234 977310206 /nfs/dbraw/zinc/31/02/06/977310206.db2.gz MECFRFUDNHYTMK-UHFFFAOYSA-N -1 1 387.823 3.269 20 5 GGBDMM C[C@@](CC(=O)[O-])(NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccnc1 ZINC001592327815 977742419 /nfs/dbraw/zinc/74/24/19/977742419.db2.gz FIPJCHSZWZOQTO-INIZCTEOSA-N -1 1 383.326 3.488 20 5 GGBDMM O=C([O-])c1cc2ccccc2cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768883907 978739880 /nfs/dbraw/zinc/73/98/80/978739880.db2.gz YYKQJXXDMXDECV-UHFFFAOYSA-N -1 1 378.387 3.309 20 5 GGBDMM CC[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1cc(F)ccc1OC ZINC001595300418 980434125 /nfs/dbraw/zinc/43/41/25/980434125.db2.gz PXQQQQQULQUEOE-HNNXBMFYSA-N -1 1 392.383 3.447 20 5 GGBDMM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC001594533131 986134613 /nfs/dbraw/zinc/13/46/13/986134613.db2.gz APACIELFIRSMTE-DOMZBBRYSA-N -1 1 393.440 3.028 20 5 GGBDMM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC001594533135 986134840 /nfs/dbraw/zinc/13/48/40/986134840.db2.gz APACIELFIRSMTE-WFASDCNBSA-N -1 1 393.440 3.028 20 5 GGBDMM CCOc1ccccc1-c1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[nH]n1 ZINC001597166788 986987657 /nfs/dbraw/zinc/98/76/57/986987657.db2.gz BLYVTIWXNPMUHR-UHFFFAOYSA-N -1 1 396.359 3.334 20 5 GGBDMM CCc1ccc(CN2CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC001597527958 988177618 /nfs/dbraw/zinc/17/76/18/988177618.db2.gz UFKPLLSKHCHTFZ-UHFFFAOYSA-N -1 1 383.448 3.107 20 5 GGBDMM CN(CCOc1cccc(Cl)c1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598499225 992408982 /nfs/dbraw/zinc/40/89/82/992408982.db2.gz FLXCIPNPTORFAV-UHFFFAOYSA-N -1 1 394.811 3.222 20 5 GGBDMM C[C@@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(N2CCCNC2=O)cc1 ZINC001593289358 994662498 /nfs/dbraw/zinc/66/24/98/994662498.db2.gz QZNVANLCRGTBAJ-CYBMUJFWSA-N -1 1 398.419 3.064 20 5 GGBDMM C[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccc2c(c1)CCCO2 ZINC001593299300 994721707 /nfs/dbraw/zinc/72/17/07/994721707.db2.gz RCIGNLSPXYKKIT-ZDUSSCGKSA-N -1 1 386.404 3.234 20 5 GGBDMM C[C@](NCc1cccc2c1OC(F)(F)O2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593303525 994734864 /nfs/dbraw/zinc/73/48/64/994734864.db2.gz FPSQMHXISVDSNF-MRXNPFEDSA-N -1 1 380.303 3.006 20 5 GGBDMM C[C@](NCc1ccc2c(c1)OC(F)(F)O2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593304714 994752874 /nfs/dbraw/zinc/75/28/74/994752874.db2.gz PYJIUTRHYXKRQH-MRXNPFEDSA-N -1 1 380.303 3.006 20 5 GGBDMM C[C@@](NCc1cnc(-c2ccccc2)nc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593310290 994771162 /nfs/dbraw/zinc/77/11/62/994771162.db2.gz HDWYXQPZAKOAMR-FQEVSTJZSA-N -1 1 378.388 3.141 20 5 GGBDMM C[C@@](NCc1ccnn1CCc1ccccc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593311766 994787074 /nfs/dbraw/zinc/78/70/74/994787074.db2.gz UIIQGJVSISMJSA-NRFANRHFSA-N -1 1 394.431 3.124 20 5 GGBDMM C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593312194 994795412 /nfs/dbraw/zinc/79/54/12/994795412.db2.gz PXOHRBMBAXJBOV-SUMWQHHRSA-N -1 1 396.403 3.066 20 5 GGBDMM COC(=O)[C@H](C)CN(Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598689754 995045796 /nfs/dbraw/zinc/04/57/96/995045796.db2.gz QIMAVDKQBRVCAK-CQSZACIVSA-N -1 1 386.404 3.104 20 5 GGBDMM COc1cc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC001599414564 997483033 /nfs/dbraw/zinc/48/30/33/997483033.db2.gz IFQPILAZVJIGLM-HNNXBMFYSA-N -1 1 395.209 3.281 20 5 GGBDMM COc1ccc([C@H](NCc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)[O-])c(OC)c1 ZINC001599532591 997684526 /nfs/dbraw/zinc/68/45/26/997684526.db2.gz SICAFCBPWGINGN-INIZCTEOSA-N -1 1 380.784 3.181 20 5 GGBDMM COc1ccc(-c2n[nH]c(CNc3cc(C)c([N+](=O)[O-])cc3C(=O)[O-])n2)cc1 ZINC001599469446 998424609 /nfs/dbraw/zinc/42/46/09/998424609.db2.gz BSNYCFMOQYPJJP-UHFFFAOYSA-N -1 1 383.364 3.007 20 5 GGBDMM COc1ccc(-c2nc(CNc3cc(C)c([N+](=O)[O-])cc3C(=O)[O-])n[nH]2)cc1 ZINC001599469446 998424611 /nfs/dbraw/zinc/42/46/11/998424611.db2.gz BSNYCFMOQYPJJP-UHFFFAOYSA-N -1 1 383.364 3.007 20 5 GGBDMM O=C([O-])[C@H](Cc1cc2ccccc2o1)NCc1c(F)cc([N+](=O)[O-])cc1F ZINC001601659427 1126224010 /nfs/dbraw/zinc/22/40/10/1126224010.db2.gz ZDNMRTMMIKVUKW-INIZCTEOSA-N -1 1 376.315 3.405 20 5 GGBDMM COc1cc(C(=O)[N-]c2nnc(C(C)C)s2)c([N+](=O)[O-])cc1OC(F)F ZINC000022087636 207246443 /nfs/dbraw/zinc/24/64/43/207246443.db2.gz VBUKWRDVSVWGHW-UHFFFAOYSA-N -1 1 388.352 3.432 20 5 GGBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1cccc(Cl)c1Cl ZINC000095426901 208181531 /nfs/dbraw/zinc/18/15/31/208181531.db2.gz DZGCPKXQQWINLG-UHFFFAOYSA-N -1 1 385.159 3.403 20 5 GGBDMM COc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1OC ZINC000007418716 564237054 /nfs/dbraw/zinc/23/70/54/564237054.db2.gz HSCOLBJHHPRIBX-UHFFFAOYSA-N -1 1 386.813 3.375 20 5 GGBDMM Cc1csc([C@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C2CC2)n1 ZINC000120965768 564346279 /nfs/dbraw/zinc/34/62/79/564346279.db2.gz COLWDKUQDIONIE-CQSZACIVSA-N -1 1 381.479 3.406 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CCCO)c1ccccc1 ZINC000121407334 564367761 /nfs/dbraw/zinc/36/77/61/564367761.db2.gz UGOINHXJLCEEOG-CQSZACIVSA-N -1 1 384.841 3.040 20 5 GGBDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1Cl ZINC000030530410 564382544 /nfs/dbraw/zinc/38/25/44/564382544.db2.gz ASIQAPYADPCLQV-UHFFFAOYSA-N -1 1 384.797 3.144 20 5 GGBDMM O=C(Nc1ccc(Br)cc1[O-])c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000126026025 564534030 /nfs/dbraw/zinc/53/40/30/564534030.db2.gz LTEJDESGOAYPDC-UHFFFAOYSA-N -1 1 377.154 3.192 20 5 GGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-c2csnn2)cc1 ZINC000057120291 564660483 /nfs/dbraw/zinc/66/04/83/564660483.db2.gz BWOZIDKALYVWIE-UHFFFAOYSA-N -1 1 376.419 3.223 20 5 GGBDMM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000064953394 564737517 /nfs/dbraw/zinc/73/75/17/564737517.db2.gz DLNAMQUVEHDFBB-UHFFFAOYSA-N -1 1 381.262 3.484 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccc(Cl)c2Cl)s1 ZINC000066000798 564754163 /nfs/dbraw/zinc/75/41/63/564754163.db2.gz CXVMNGDOBLMLDU-UHFFFAOYSA-N -1 1 381.262 3.484 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1c(F)cccc1F ZINC000146883246 564881497 /nfs/dbraw/zinc/88/14/97/564881497.db2.gz IILIQRZJMJEIFH-UHFFFAOYSA-N -1 1 376.768 3.047 20 5 GGBDMM Cn1c(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)n[n-]c1=S ZINC000097552613 564908579 /nfs/dbraw/zinc/90/85/79/564908579.db2.gz QNHLRJMZNHGJFM-UHFFFAOYSA-N -1 1 381.845 3.059 20 5 GGBDMM CC[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000151479283 564922364 /nfs/dbraw/zinc/92/23/64/564922364.db2.gz HZNRELMTKCXTIX-CYBMUJFWSA-N -1 1 375.859 3.308 20 5 GGBDMM CC(C)c1nc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cs1 ZINC000102412742 564929265 /nfs/dbraw/zinc/92/92/65/564929265.db2.gz YFPYXWZWPNINGK-UHFFFAOYSA-N -1 1 389.886 3.349 20 5 GGBDMM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000104761139 564960077 /nfs/dbraw/zinc/96/00/77/564960077.db2.gz BSECHNVQLJOPLR-JTQLQIEISA-N -1 1 375.859 3.443 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCOc2ccccc21 ZINC000108875110 565018242 /nfs/dbraw/zinc/01/82/42/565018242.db2.gz WBRZPNVOHQXXPD-LLVKDONJSA-N -1 1 382.825 3.093 20 5 GGBDMM CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC000111363886 565053442 /nfs/dbraw/zinc/05/34/42/565053442.db2.gz QJNFSKQIYZRWSV-QMMMGPOBSA-N -1 1 375.859 3.307 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCOc2ccccc21 ZINC000155408895 565067226 /nfs/dbraw/zinc/06/72/26/565067226.db2.gz ABTDKXWXEOFOOH-CYBMUJFWSA-N -1 1 382.825 3.440 20 5 GGBDMM CC(C)OC1CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000159387507 565203737 /nfs/dbraw/zinc/20/37/37/565203737.db2.gz FHKOMFUYGQXXTR-UHFFFAOYSA-N -1 1 376.862 3.263 20 5 GGBDMM CSc1nc(C)c(CCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000294253915 565205013 /nfs/dbraw/zinc/20/50/13/565205013.db2.gz FWQRQNWXXJFKJZ-UHFFFAOYSA-N -1 1 382.829 3.345 20 5 GGBDMM CSCCCCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000185978119 565234166 /nfs/dbraw/zinc/23/41/66/565234166.db2.gz YYOAJUMAMJHCEV-UHFFFAOYSA-N -1 1 397.316 3.169 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@@H](C3CC3)C2)c1Cl ZINC000295166863 565249145 /nfs/dbraw/zinc/24/91/45/565249145.db2.gz PNQIJGWZNJUKBW-JOYOIKCWSA-N -1 1 395.264 3.138 20 5 GGBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1ncc[nH]1 ZINC000296082398 565301408 /nfs/dbraw/zinc/30/14/08/565301408.db2.gz PYUNDWOKOZOWJG-LLVKDONJSA-N -1 1 393.252 3.300 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1cccc(Br)c1)C1CC1 ZINC000187034818 565303427 /nfs/dbraw/zinc/30/34/27/565303427.db2.gz IIMMFJOXLFEDFD-UHFFFAOYSA-N -1 1 392.209 3.263 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000187356280 565326541 /nfs/dbraw/zinc/32/65/41/565326541.db2.gz ZWLWXHKRBYDBTB-CYBMUJFWSA-N -1 1 392.209 3.435 20 5 GGBDMM Cc1noc(C)c1CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296610350 565326649 /nfs/dbraw/zinc/32/66/49/565326649.db2.gz GOSAQVBVPKGQOQ-UHFFFAOYSA-N -1 1 394.236 3.027 20 5 GGBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1nccs1 ZINC000163330869 565344138 /nfs/dbraw/zinc/34/41/38/565344138.db2.gz ULFWKUINOIRKMZ-ZETCQYMHSA-N -1 1 381.357 3.110 20 5 GGBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000167566549 565379338 /nfs/dbraw/zinc/37/93/38/565379338.db2.gz JXJBHQYWGVWFSQ-PWSUYJOCSA-N -1 1 382.825 3.091 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCOc2ccc(F)cc21 ZINC000171967195 565460572 /nfs/dbraw/zinc/46/05/72/565460572.db2.gz UMUHAWFHJCVGKD-LBPRGKRZSA-N -1 1 386.788 3.189 20 5 GGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1Br ZINC000190077611 565506334 /nfs/dbraw/zinc/50/63/34/565506334.db2.gz PSKIOMADICBHPY-UHFFFAOYSA-N -1 1 393.165 3.436 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCOc2c(F)cccc21 ZINC000190727348 565554941 /nfs/dbraw/zinc/55/49/41/565554941.db2.gz LHXYJWKPVBTHRD-LBPRGKRZSA-N -1 1 386.788 3.189 20 5 GGBDMM Cc1csc([C@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C2CC2)n1 ZINC000173465031 565559039 /nfs/dbraw/zinc/55/90/39/565559039.db2.gz UEHQVJZVJXMXQG-OAHLLOKOSA-N -1 1 381.479 3.406 20 5 GGBDMM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C2CC2)s1 ZINC000173484625 565560803 /nfs/dbraw/zinc/56/08/03/565560803.db2.gz VNRWVFUKNXAGSB-ZDUSSCGKSA-N -1 1 387.870 3.443 20 5 GGBDMM CSc1nsc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000175529849 565705502 /nfs/dbraw/zinc/70/55/02/565705502.db2.gz PMCGNRWZLNJUEG-UHFFFAOYSA-N -1 1 375.229 3.183 20 5 GGBDMM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1occc1Br ZINC000176599468 565788291 /nfs/dbraw/zinc/78/82/91/565788291.db2.gz XCIHNUUEIGVBJW-UHFFFAOYSA-N -1 1 383.154 3.364 20 5 GGBDMM C[C@@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000195669265 565891333 /nfs/dbraw/zinc/89/13/33/565891333.db2.gz KHVNZJORXKBPJI-RISCZKNCSA-N -1 1 376.862 3.122 20 5 GGBDMM C[C@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000195669268 565891671 /nfs/dbraw/zinc/89/16/71/565891671.db2.gz KHVNZJORXKBPJI-SMDDNHRTSA-N -1 1 376.862 3.122 20 5 GGBDMM C[C@@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000195669267 565891745 /nfs/dbraw/zinc/89/17/45/565891745.db2.gz KHVNZJORXKBPJI-BXUZGUMPSA-N -1 1 376.862 3.122 20 5 GGBDMM Cc1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(Br)c1 ZINC000179133285 565959780 /nfs/dbraw/zinc/95/97/80/565959780.db2.gz OJXZQXRYFVDROD-UHFFFAOYSA-N -1 1 386.227 3.170 20 5 GGBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F ZINC000416465884 566071539 /nfs/dbraw/zinc/07/15/39/566071539.db2.gz NJTGIAXEGIYFBT-LURJTMIESA-N -1 1 380.266 3.090 20 5 GGBDMM C[C@H](CCCc1cccnc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416536475 566083513 /nfs/dbraw/zinc/08/35/13/566083513.db2.gz LZCWNMGFQNLOMU-GFCCVEGCSA-N -1 1 383.857 3.333 20 5 GGBDMM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nccs1 ZINC000416582320 566090310 /nfs/dbraw/zinc/09/03/10/566090310.db2.gz VLALKXXDLMGQQA-ZETCQYMHSA-N -1 1 381.357 3.110 20 5 GGBDMM O=C([N-]C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1)C(F)(F)F ZINC000289365604 566119658 /nfs/dbraw/zinc/11/96/58/566119658.db2.gz AQDCONQLCSMTQS-SNVBAGLBSA-N -1 1 379.766 3.139 20 5 GGBDMM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290340400 566168780 /nfs/dbraw/zinc/16/87/80/566168780.db2.gz BKFJEBIZJDDDIJ-ZETCQYMHSA-N -1 1 391.808 3.074 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2(C3CC3)CCOCC2)c(Cl)cc1Cl ZINC000367712071 566212838 /nfs/dbraw/zinc/21/28/38/566212838.db2.gz ZBGPBWRNUQLDMJ-UHFFFAOYSA-N -1 1 395.264 3.139 20 5 GGBDMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000182911399 566229529 /nfs/dbraw/zinc/22/95/29/566229529.db2.gz OVKUXKZQWYKVQH-UHFFFAOYSA-N -1 1 384.161 3.345 20 5 GGBDMM Cc1cc(Br)c([O-])c(NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182928088 566230039 /nfs/dbraw/zinc/23/00/39/566230039.db2.gz ZRTFJVUATCQEQI-UHFFFAOYSA-N -1 1 381.182 3.389 20 5 GGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F ZINC000183300422 566243170 /nfs/dbraw/zinc/24/31/70/566243170.db2.gz BWSDQSKFNYBMQI-GFCCVEGCSA-N -1 1 384.376 3.249 20 5 GGBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1Br ZINC000444962871 566261454 /nfs/dbraw/zinc/26/14/54/566261454.db2.gz FEWZTORHBQBSON-UHFFFAOYSA-N -1 1 394.225 3.166 20 5 GGBDMM C[C@H](CC(C)(C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000575236604 566263911 /nfs/dbraw/zinc/26/39/11/566263911.db2.gz YOIVGKCAWZRMIC-SSDOTTSWSA-N -1 1 399.252 3.069 20 5 GGBDMM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000535362060 566299302 /nfs/dbraw/zinc/29/93/02/566299302.db2.gz OUQLJOAUSQSEDV-UHFFFAOYSA-N -1 1 381.262 3.484 20 5 GGBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000462699123 566342719 /nfs/dbraw/zinc/34/27/19/566342719.db2.gz GXQKISREUVMPPA-JTQLQIEISA-N -1 1 388.804 3.133 20 5 GGBDMM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000462714386 566346785 /nfs/dbraw/zinc/34/67/85/566346785.db2.gz FNAOMONLGQAWHO-ZJUUUORDSA-N -1 1 379.276 3.460 20 5 GGBDMM CCc1[n-][nH]c(=NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)c1Br ZINC000463000830 566375424 /nfs/dbraw/zinc/37/54/24/566375424.db2.gz DRLODXIAEWNDBY-LLVKDONJSA-N -1 1 395.257 3.272 20 5 GGBDMM CCc1[n-][nH]c(=NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)c1Br ZINC000463000831 566375890 /nfs/dbraw/zinc/37/58/90/566375890.db2.gz DRLODXIAEWNDBY-NSHDSACASA-N -1 1 395.257 3.272 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)c(Br)c1 ZINC000446989516 566377229 /nfs/dbraw/zinc/37/72/29/566377229.db2.gz MSLOYGIIXVNVQE-UHFFFAOYSA-N -1 1 393.165 3.436 20 5 GGBDMM C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484276848 566422712 /nfs/dbraw/zinc/42/27/12/566422712.db2.gz OFBRFKGMRATXIU-JTQLQIEISA-N -1 1 394.225 3.209 20 5 GGBDMM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000557862027 566429942 /nfs/dbraw/zinc/42/99/42/566429942.db2.gz ARRYRLWICSNZFQ-VXJOIVPMSA-N -1 1 386.788 3.188 20 5 GGBDMM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000557862025 566430110 /nfs/dbraw/zinc/43/01/10/566430110.db2.gz ARRYRLWICSNZFQ-GLEZIHRCSA-N -1 1 386.788 3.188 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)c(F)c1 ZINC000484783203 566455175 /nfs/dbraw/zinc/45/51/75/566455175.db2.gz AZQAKHGBBWKZFM-MWLCHTKSSA-N -1 1 384.351 3.381 20 5 GGBDMM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Br)c([O-])c1 ZINC000558728207 566501616 /nfs/dbraw/zinc/50/16/16/566501616.db2.gz VFLQQWWRBVGWLP-UHFFFAOYSA-N -1 1 379.210 3.378 20 5 GGBDMM CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000539639278 566594085 /nfs/dbraw/zinc/59/40/85/566594085.db2.gz SYNZPCCRQVWBFF-NEPJUHHUSA-N -1 1 376.862 3.120 20 5 GGBDMM Cc1cnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(Br)c1 ZINC000513787626 566624438 /nfs/dbraw/zinc/62/44/38/566624438.db2.gz BWVSPRLUALGJTQ-UHFFFAOYSA-N -1 1 386.227 3.170 20 5 GGBDMM Cc1nc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[n-]c(=O)c1C ZINC000540714365 566667678 /nfs/dbraw/zinc/66/76/78/566667678.db2.gz GAUBPQXXODHDKV-SECBINFHSA-N -1 1 382.829 3.480 20 5 GGBDMM Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000467793006 566667966 /nfs/dbraw/zinc/66/79/66/566667966.db2.gz OJRGLCQYXLHEQG-BBRMVZONSA-N -1 1 382.463 3.163 20 5 GGBDMM O=C(N=c1cc(-c2ccc(Br)s2)[n-][nH]1)c1cccc([N+](=O)[O-])c1 ZINC000515987176 566740760 /nfs/dbraw/zinc/74/07/60/566740760.db2.gz NZIOACFDNMPLLA-UHFFFAOYSA-N -1 1 393.222 3.483 20 5 GGBDMM COc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000608908914 566742114 /nfs/dbraw/zinc/74/21/14/566742114.db2.gz BBFJLECFVHIGBY-UHFFFAOYSA-N -1 1 387.211 3.167 20 5 GGBDMM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488850007 566752830 /nfs/dbraw/zinc/75/28/30/566752830.db2.gz FDVYLGHPXRMIMF-MWLCHTKSSA-N -1 1 377.260 3.214 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1c[nH]c2ccccc12 ZINC000516343649 566759820 /nfs/dbraw/zinc/75/98/20/566759820.db2.gz OVOVXCGRHKZTGW-UHFFFAOYSA-N -1 1 379.825 3.251 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CCc2ccccc21 ZINC000488964904 566760068 /nfs/dbraw/zinc/76/00/68/566760068.db2.gz BEWHCIBIPZIKKP-ZDUSSCGKSA-N -1 1 397.250 3.323 20 5 GGBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000542000743 566766963 /nfs/dbraw/zinc/76/69/63/566766963.db2.gz NHSBLYXRRFUYER-UHFFFAOYSA-N -1 1 376.312 3.337 20 5 GGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Br)cc1F ZINC000562222903 566771848 /nfs/dbraw/zinc/77/18/48/566771848.db2.gz CNSHFGSGJACWHB-SSDOTTSWSA-N -1 1 384.161 3.088 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000609708447 566782293 /nfs/dbraw/zinc/78/22/93/566782293.db2.gz LLWKHQHCXJBWMD-QPUJVOFHSA-N -1 1 388.779 3.361 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOC1CCCCCC1 ZINC000609824930 566788057 /nfs/dbraw/zinc/78/80/57/566788057.db2.gz RBPBMFRFWCOTNI-UHFFFAOYSA-N -1 1 376.862 3.266 20 5 GGBDMM O=C(N[C@H]1CSc2ccc(Br)cc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000428196779 566823575 /nfs/dbraw/zinc/82/35/75/566823575.db2.gz SLJUXSUIUKFNDJ-JTQLQIEISA-N -1 1 396.222 3.035 20 5 GGBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc(-c3cncnc3)cc2)s1 ZINC000543051662 566846937 /nfs/dbraw/zinc/84/69/37/566846937.db2.gz RQBARGBEWCXEHF-UHFFFAOYSA-N -1 1 376.419 3.260 20 5 GGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000610663111 566851929 /nfs/dbraw/zinc/85/19/29/566851929.db2.gz IQEKGCLQFWXVJF-UHFFFAOYSA-N -1 1 378.797 3.439 20 5 GGBDMM CCSc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000471108103 566929249 /nfs/dbraw/zinc/92/92/49/566929249.db2.gz MCEKFSQMOPQLPQ-UHFFFAOYSA-N -1 1 382.419 3.206 20 5 GGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000452164714 566945204 /nfs/dbraw/zinc/94/52/04/566945204.db2.gz VWFXSLWJZZVQCT-CYBMUJFWSA-N -1 1 379.825 3.356 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1c(F)cc(F)c(F)c1F ZINC000429900256 566964614 /nfs/dbraw/zinc/96/46/14/566964614.db2.gz JWLBISRUDASHTR-UHFFFAOYSA-N -1 1 398.721 3.283 20 5 GGBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000564386120 566971055 /nfs/dbraw/zinc/97/10/55/566971055.db2.gz BKZHKFBDMNMSHI-UHFFFAOYSA-N -1 1 393.204 3.422 20 5 GGBDMM O=C(NCc1ccc(Br)cc1Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000520034338 566983075 /nfs/dbraw/zinc/98/30/75/566983075.db2.gz MIRNGKUIIIMGNE-UHFFFAOYSA-N -1 1 386.589 3.041 20 5 GGBDMM CSc1cccc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000471960229 566990963 /nfs/dbraw/zinc/99/09/63/566990963.db2.gz FMWDPQIEJNMXBI-UHFFFAOYSA-N -1 1 382.419 3.124 20 5 GGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000452839787 567022269 /nfs/dbraw/zinc/02/22/69/567022269.db2.gz FKXQFJKOPIXTDW-NSHDSACASA-N -1 1 392.209 3.088 20 5 GGBDMM COc1nc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc2s1 ZINC000430981068 567044254 /nfs/dbraw/zinc/04/42/54/567044254.db2.gz VLPJHJVMEQXDEW-UHFFFAOYSA-N -1 1 379.419 3.322 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3cc4c(cc3Br)OCO4)no2)[n-]1 ZINC000546391745 567125193 /nfs/dbraw/zinc/12/51/93/567125193.db2.gz VWQLPFRARUFIFG-UHFFFAOYSA-N -1 1 393.153 3.055 20 5 GGBDMM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c1 ZINC000588906242 567144579 /nfs/dbraw/zinc/14/45/79/567144579.db2.gz QQJIQKJRYLHHJX-UHFFFAOYSA-N -1 1 399.213 3.214 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1COc2ccc(Cl)cc21 ZINC000474296457 567156010 /nfs/dbraw/zinc/15/60/10/567156010.db2.gz WNIWLIYXTQRBQU-NSHDSACASA-N -1 1 389.216 3.314 20 5 GGBDMM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1 ZINC000524568459 567204877 /nfs/dbraw/zinc/20/48/77/567204877.db2.gz NQEUQTGESOSOHZ-UHFFFAOYSA-N -1 1 399.222 3.093 20 5 GGBDMM CCC(O)(CC)C(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000567124504 567220229 /nfs/dbraw/zinc/22/02/29/567220229.db2.gz JCPWNJMDRMNBKA-UHFFFAOYSA-N -1 1 378.878 3.104 20 5 GGBDMM C[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1c(Cl)cccc1Cl ZINC000525176038 567232860 /nfs/dbraw/zinc/23/28/60/567232860.db2.gz GHMRTMSNHJKHFA-VIFPVBQESA-N -1 1 390.248 3.379 20 5 GGBDMM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000475735691 567271371 /nfs/dbraw/zinc/27/13/71/567271371.db2.gz UMQXVGGWUGERFX-UHFFFAOYSA-N -1 1 384.797 3.364 20 5 GGBDMM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000617345470 567301597 /nfs/dbraw/zinc/30/15/97/567301597.db2.gz WPDGIJBNLVJKRD-HNNXBMFYSA-N -1 1 395.209 3.281 20 5 GGBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F ZINC000476574629 567336494 /nfs/dbraw/zinc/33/64/94/567336494.db2.gz NDWLHHSJJHEOSG-LURJTMIESA-N -1 1 380.266 3.090 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cc(-c2ccccc2)n[nH]1 ZINC000434966044 567338033 /nfs/dbraw/zinc/33/80/33/567338033.db2.gz WNBSWXHKOAKJMM-UHFFFAOYSA-N -1 1 378.797 3.439 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cccc(Cl)c3)[nH]n2)c1 ZINC000434975594 567338381 /nfs/dbraw/zinc/33/83/81/567338381.db2.gz DRLARBLDAGAQQC-UHFFFAOYSA-N -1 1 378.797 3.439 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccccc1Br ZINC000618382374 567386867 /nfs/dbraw/zinc/38/68/67/567386867.db2.gz WYCDNVYXVZISHB-CYBMUJFWSA-N -1 1 392.209 3.435 20 5 GGBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000619467411 567455614 /nfs/dbraw/zinc/45/56/14/567455614.db2.gz GKXUTELHJITZNC-UHFFFAOYSA-N -1 1 378.740 3.336 20 5 GGBDMM O=C(Nc1nc2ccc(Br)cc2[nH]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436960795 567470746 /nfs/dbraw/zinc/47/07/46/567470746.db2.gz FJYXWOJNHINPRZ-UHFFFAOYSA-N -1 1 377.154 3.192 20 5 GGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000570790648 567513199 /nfs/dbraw/zinc/51/31/99/567513199.db2.gz KRUYNZXZMFAMHP-OCCSQVGLSA-N -1 1 381.841 3.258 20 5 GGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000570790646 567514154 /nfs/dbraw/zinc/51/41/54/567514154.db2.gz KRUYNZXZMFAMHP-JSGCOSHPSA-N -1 1 381.841 3.258 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1CC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000479948314 567570580 /nfs/dbraw/zinc/57/05/80/567570580.db2.gz KRLMWPIXARYLGJ-UHFFFAOYSA-N -1 1 394.758 3.187 20 5 GGBDMM O=[N+]([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000530284352 567589332 /nfs/dbraw/zinc/58/93/32/567589332.db2.gz BGYMCAUFYSMFHZ-UHFFFAOYSA-N -1 1 380.275 3.433 20 5 GGBDMM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000480690612 567621060 /nfs/dbraw/zinc/62/10/60/567621060.db2.gz AHAPGGMOKFMCCR-UHFFFAOYSA-N -1 1 391.232 3.389 20 5 GGBDMM CC(C)(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Cc1cccc(Cl)c1 ZINC000531549919 567664842 /nfs/dbraw/zinc/66/48/42/567664842.db2.gz RMTITUVSXGBVNV-UHFFFAOYSA-N -1 1 383.857 3.190 20 5 GGBDMM COc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)ccc1[N+](=O)[O-] ZINC000442245940 567688118 /nfs/dbraw/zinc/68/81/18/567688118.db2.gz CEPHYBFKKIONCK-UHFFFAOYSA-N -1 1 378.740 3.336 20 5 GGBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000442251615 567688357 /nfs/dbraw/zinc/68/83/57/567688357.db2.gz QRWRPSVFNMGJJI-UHFFFAOYSA-N -1 1 378.740 3.336 20 5 GGBDMM CCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1Cl ZINC000507608042 567690845 /nfs/dbraw/zinc/69/08/45/567690845.db2.gz VWHBDMZCEYYDSG-UHFFFAOYSA-N -1 1 384.797 3.310 20 5 GGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)c(Br)c1 ZINC000507679369 567697087 /nfs/dbraw/zinc/69/70/87/567697087.db2.gz TVAQUWCDDWJPID-SSDOTTSWSA-N -1 1 384.161 3.088 20 5 GGBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)CCc2ccccc2Br)c1 ZINC000461350783 567732429 /nfs/dbraw/zinc/73/24/29/567732429.db2.gz ZEXAPUIKDXFBHI-UHFFFAOYSA-N -1 1 385.239 3.342 20 5 GGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000573772115 567735050 /nfs/dbraw/zinc/73/50/50/567735050.db2.gz DVGUAAAVWBQWSS-HNNXBMFYSA-N -1 1 381.841 3.463 20 5 GGBDMM COc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000533841398 567789961 /nfs/dbraw/zinc/78/99/61/567789961.db2.gz YTHOIURUHYKPNN-UHFFFAOYSA-N -1 1 378.797 3.383 20 5 GGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)c1C ZINC000007325441 570829441 /nfs/dbraw/zinc/82/94/41/570829441.db2.gz OLNIAOUZVNMZIC-UHFFFAOYSA-N -1 1 389.433 3.139 20 5 GGBDMM O=[N+]([O-])c1cnc(Oc2ccc(Cl)cc2Br)c(-c2nnn[n-]2)c1 ZINC000823651234 599150336 /nfs/dbraw/zinc/15/03/36/599150336.db2.gz IUCFINZVYZRBGZ-UHFFFAOYSA-N -1 1 397.576 3.378 20 5 GGBDMM O=[N+]([O-])c1cnc(Oc2ccc(Cl)cc2Br)c(-c2nn[n-]n2)c1 ZINC000823651234 599150338 /nfs/dbraw/zinc/15/03/38/599150338.db2.gz IUCFINZVYZRBGZ-UHFFFAOYSA-N -1 1 397.576 3.378 20 5 GGBDMM O=[N+]([O-])c1cnc(Sc2ccc(Br)cc2)c(-c2nn[n-]n2)c1 ZINC000823651207 599390329 /nfs/dbraw/zinc/39/03/29/599390329.db2.gz ILMBVLBNXFRMRA-UHFFFAOYSA-N -1 1 379.199 3.084 20 5 GGBDMM O=C([O-])CCN(Cc1ccccc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000739724207 599777930 /nfs/dbraw/zinc/77/79/30/599777930.db2.gz VFZGANZFZJIQAS-UHFFFAOYSA-N -1 1 380.404 3.393 20 5 GGBDMM Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000263376162 600374199 /nfs/dbraw/zinc/37/41/99/600374199.db2.gz WPZIKNBXOVTVIR-KSSFIOAISA-N -1 1 385.420 3.236 20 5 GGBDMM Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000263376161 600374323 /nfs/dbraw/zinc/37/43/23/600374323.db2.gz WPZIKNBXOVTVIR-KDOFPFPSSA-N -1 1 385.420 3.236 20 5 GGBDMM O=[N+]([O-])c1ccc(NCCNc2ncc(Cl)cc2Cl)cc1-c1nnn[n-]1 ZINC000826498984 607452885 /nfs/dbraw/zinc/45/28/85/607452885.db2.gz QXSGVGTWVGOUFS-UHFFFAOYSA-N -1 1 395.210 3.001 20 5 GGBDMM O=[N+]([O-])c1ccc(NCCNc2ncc(Cl)cc2Cl)cc1-c1nn[n-]n1 ZINC000826498984 607452886 /nfs/dbraw/zinc/45/28/86/607452886.db2.gz QXSGVGTWVGOUFS-UHFFFAOYSA-N -1 1 395.210 3.001 20 5 GGBDMM C[C@H](CN(Cc1ccccc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000736581750 600685320 /nfs/dbraw/zinc/68/53/20/600685320.db2.gz DAGSWEFQULZBTD-OAHLLOKOSA-N -1 1 395.419 3.034 20 5 GGBDMM Cc1cc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000610111308 600899495 /nfs/dbraw/zinc/89/94/95/600899495.db2.gz UIEGEZWSPQRTPO-UHFFFAOYSA-N -1 1 378.406 3.066 20 5 GGBDMM C[C@H](CN(Cc1ccccc1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C(=O)[O-] ZINC000736584807 601089916 /nfs/dbraw/zinc/08/99/16/601089916.db2.gz QECPCDSJFAFDDA-OAHLLOKOSA-N -1 1 395.419 3.034 20 5 GGBDMM CCC(CC)(CC(=O)[O-])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000828804282 601268091 /nfs/dbraw/zinc/26/80/91/601268091.db2.gz KISQGDJUUBNGQR-UHFFFAOYSA-N -1 1 399.252 3.213 20 5 GGBDMM Cc1ccc([C@@H](C)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1[N+](=O)[O-] ZINC000832920813 601368994 /nfs/dbraw/zinc/36/89/94/601368994.db2.gz HXFNOXUGOHADGD-RISCZKNCSA-N -1 1 389.433 3.119 20 5 GGBDMM Cc1ccc([C@H](C)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1[N+](=O)[O-] ZINC000832920815 601369188 /nfs/dbraw/zinc/36/91/88/601369188.db2.gz HXFNOXUGOHADGD-SMDDNHRTSA-N -1 1 389.433 3.119 20 5 GGBDMM CC[C@H](N[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000828982950 601380382 /nfs/dbraw/zinc/38/03/82/601380382.db2.gz KGJYRUBUWBJXJQ-ACJLOTCBSA-N -1 1 385.420 3.039 20 5 GGBDMM CC[C@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc([N+](=O)[O-])c1 ZINC000828983024 601380439 /nfs/dbraw/zinc/38/04/39/601380439.db2.gz MSFQPSWRGBMGCB-LSDHHAIUSA-N -1 1 389.433 3.201 20 5 GGBDMM CC[C@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc([N+](=O)[O-])c1 ZINC000828983020 601380569 /nfs/dbraw/zinc/38/05/69/601380569.db2.gz MSFQPSWRGBMGCB-GJZGRUSLSA-N -1 1 389.433 3.201 20 5 GGBDMM COc1cc(CN2CCC(CCC(=O)[O-])CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000563273236 601841331 /nfs/dbraw/zinc/84/13/31/601841331.db2.gz MYVYLZCXZIAJPI-UHFFFAOYSA-N -1 1 388.367 3.282 20 5 GGBDMM Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@](C)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000263577298 601947554 /nfs/dbraw/zinc/94/75/54/601947554.db2.gz RJXKUCJVIQLCQD-RXVVDRJESA-N -1 1 397.431 3.380 20 5 GGBDMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000833421585 604938586 /nfs/dbraw/zinc/93/85/86/604938586.db2.gz SGDRDRGTNPNLHO-LLVKDONJSA-N -1 1 383.832 3.010 20 5 GGBDMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000833421537 604949084 /nfs/dbraw/zinc/94/90/84/604949084.db2.gz QZEXZLBKXHJOLP-LLVKDONJSA-N -1 1 383.832 3.010 20 5 GGBDMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000833419882 605042510 /nfs/dbraw/zinc/04/25/10/605042510.db2.gz XSTGFPXUNNJTDO-LBPRGKRZSA-N -1 1 380.832 3.378 20 5 GGBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000833626637 605159649 /nfs/dbraw/zinc/15/96/49/605159649.db2.gz QMUCCNZCBZZVAT-OAHLLOKOSA-N -1 1 377.444 3.009 20 5 GGBDMM CC(=O)c1ccc2cc(Oc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc2c1 ZINC000819835230 606402319 /nfs/dbraw/zinc/40/23/19/606402319.db2.gz UERCTOXTZWIYQR-UHFFFAOYSA-N -1 1 376.332 3.318 20 5 GGBDMM CC(=O)c1ccc2cc(Oc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)ccc2c1 ZINC000819835230 606402320 /nfs/dbraw/zinc/40/23/20/606402320.db2.gz UERCTOXTZWIYQR-UHFFFAOYSA-N -1 1 376.332 3.318 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000823620991 606700134 /nfs/dbraw/zinc/70/01/34/606700134.db2.gz VHSUIDBLCKEBHU-ZDUSSCGKSA-N -1 1 390.407 3.035 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000823620991 606700136 /nfs/dbraw/zinc/70/01/36/606700136.db2.gz VHSUIDBLCKEBHU-ZDUSSCGKSA-N -1 1 390.407 3.035 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000823620221 606704093 /nfs/dbraw/zinc/70/40/93/606704093.db2.gz IIJYGBOEDNKZOH-UHFFFAOYSA-N -1 1 390.407 3.035 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000823620221 606704095 /nfs/dbraw/zinc/70/40/95/606704095.db2.gz IIJYGBOEDNKZOH-UHFFFAOYSA-N -1 1 390.407 3.035 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1cccc(Br)c1 ZINC000823630537 606707148 /nfs/dbraw/zinc/70/71/48/606707148.db2.gz ZQWBLYFSFRXHSW-UHFFFAOYSA-N -1 1 379.199 3.084 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1cccc(Br)c1 ZINC000823630537 606707150 /nfs/dbraw/zinc/70/71/50/606707150.db2.gz ZQWBLYFSFRXHSW-UHFFFAOYSA-N -1 1 379.199 3.084 20 5 GGBDMM CC[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000820995232 606714867 /nfs/dbraw/zinc/71/48/67/606714867.db2.gz ONJNZUZUNRXEOO-HIFRSBDPSA-N -1 1 379.424 3.190 20 5 GGBDMM CC[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000820995232 606714869 /nfs/dbraw/zinc/71/48/69/606714869.db2.gz ONJNZUZUNRXEOO-HIFRSBDPSA-N -1 1 379.424 3.190 20 5 GGBDMM Cc1cc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1Br ZINC000822211626 607043463 /nfs/dbraw/zinc/04/34/63/607043463.db2.gz ICDNCWDFFVLTLM-UHFFFAOYSA-N -1 1 377.158 3.033 20 5 GGBDMM Cc1cc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1Br ZINC000822211626 607043465 /nfs/dbraw/zinc/04/34/65/607043465.db2.gz ICDNCWDFFVLTLM-UHFFFAOYSA-N -1 1 377.158 3.033 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccc(Cl)cc1Cl ZINC000823625196 607161924 /nfs/dbraw/zinc/16/19/24/607161924.db2.gz SRUWUEKAIPGLAR-UHFFFAOYSA-N -1 1 380.195 3.131 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccc(Cl)cc1Cl ZINC000823625196 607161926 /nfs/dbraw/zinc/16/19/26/607161926.db2.gz SRUWUEKAIPGLAR-UHFFFAOYSA-N -1 1 380.195 3.131 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(Br)cc1Cl ZINC000823629645 607162020 /nfs/dbraw/zinc/16/20/20/607162020.db2.gz CZRDWRNHNXJGAT-UHFFFAOYSA-N -1 1 397.576 3.378 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(Br)cc1Cl ZINC000823629645 607162021 /nfs/dbraw/zinc/16/20/21/607162021.db2.gz CZRDWRNHNXJGAT-UHFFFAOYSA-N -1 1 397.576 3.378 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1nc(-c2ccccc2)cs1 ZINC000823630242 607164181 /nfs/dbraw/zinc/16/41/81/607164181.db2.gz TWKPIXVFXVPJJQ-UHFFFAOYSA-N -1 1 383.418 3.445 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1nc(-c2ccccc2)cs1 ZINC000823630242 607164182 /nfs/dbraw/zinc/16/41/82/607164182.db2.gz TWKPIXVFXVPJJQ-UHFFFAOYSA-N -1 1 383.418 3.445 20 5 GGBDMM CN(C)c1cccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1 ZINC000825879750 607841643 /nfs/dbraw/zinc/84/16/43/607841643.db2.gz QZSZOFUGJNOCTO-KRWDZBQOSA-N -1 1 379.424 3.182 20 5 GGBDMM CN(C)c1cccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c1 ZINC000825879750 607841644 /nfs/dbraw/zinc/84/16/44/607841644.db2.gz QZSZOFUGJNOCTO-KRWDZBQOSA-N -1 1 379.424 3.182 20 5 GGBDMM O=Cc1cc(Cl)c(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1Cl ZINC000826484098 607967613 /nfs/dbraw/zinc/96/76/13/607967613.db2.gz NIRHJKHPCBWYAE-UHFFFAOYSA-N -1 1 381.135 3.082 20 5 GGBDMM O=Cc1cc(Cl)c(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1Cl ZINC000826484098 607967614 /nfs/dbraw/zinc/96/76/14/607967614.db2.gz NIRHJKHPCBWYAE-UHFFFAOYSA-N -1 1 381.135 3.082 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(COc2ccccc2)cc1 ZINC000826497288 608299837 /nfs/dbraw/zinc/29/98/37/608299837.db2.gz AZSUOZRJMHANBB-UHFFFAOYSA-N -1 1 389.375 3.493 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(COc2ccccc2)cc1 ZINC000826497288 608299838 /nfs/dbraw/zinc/29/98/38/608299838.db2.gz AZSUOZRJMHANBB-UHFFFAOYSA-N -1 1 389.375 3.493 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000826497555 609321884 /nfs/dbraw/zinc/32/18/84/609321884.db2.gz KZUXMJXCIPYPEP-CQSZACIVSA-N -1 1 381.371 3.357 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000826497555 609321886 /nfs/dbraw/zinc/32/18/86/609321886.db2.gz KZUXMJXCIPYPEP-CQSZACIVSA-N -1 1 381.371 3.357 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC[C@H]1CCCOC1 ZINC000054124610 1406625941 /nfs/dbraw/zinc/62/59/41/1406625941.db2.gz RMOHTPSOZXSCGU-CQSZACIVSA-N -1 1 391.449 3.234 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC[C@@H]1CCCOC1 ZINC000054124609 1406625971 /nfs/dbraw/zinc/62/59/71/1406625971.db2.gz RMOHTPSOZXSCGU-AWEZNQCLSA-N -1 1 391.449 3.234 20 5 GGBDMM O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000054645045 1406794054 /nfs/dbraw/zinc/79/40/54/1406794054.db2.gz ORUBZOHXBWDWPO-UHFFFAOYSA-N -1 1 397.431 3.147 20 5 GGBDMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000054829779 1406832757 /nfs/dbraw/zinc/83/27/57/1406832757.db2.gz IQEPTWKEMHCDOC-UHFFFAOYSA-N -1 1 383.813 3.398 20 5 GGBDMM C[C@H](OCCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000054979455 1406863607 /nfs/dbraw/zinc/86/36/07/1406863607.db2.gz LOTXNNVZQYUTCP-ZDUSSCGKSA-N -1 1 382.413 3.180 20 5 GGBDMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000006011926 1398520276 /nfs/dbraw/zinc/52/02/76/1398520276.db2.gz NGRPEWPXTNPCIH-UHFFFAOYSA-N -1 1 375.720 3.417 20 5 GGBDMM CCCCCc1nnc([N-]C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])s1 ZINC000006397437 1398548265 /nfs/dbraw/zinc/54/82/65/1398548265.db2.gz NIXQDAJXSNJWPZ-UHFFFAOYSA-N -1 1 380.426 3.449 20 5 GGBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1OCC ZINC000007927742 1398774165 /nfs/dbraw/zinc/77/41/65/1398774165.db2.gz JFWWVMKNLUEYSG-UHFFFAOYSA-N -1 1 384.385 3.332 20 5 GGBDMM O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000009352384 1398857527 /nfs/dbraw/zinc/85/75/27/1398857527.db2.gz SOTFEZAAYQPFNK-UHFFFAOYSA-N -1 1 387.369 3.242 20 5 GGBDMM CSc1ccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1[N+](=O)[O-] ZINC000009621350 1398861377 /nfs/dbraw/zinc/86/13/77/1398861377.db2.gz RZEVCCFWOVXDRY-UHFFFAOYSA-N -1 1 387.369 3.486 20 5 GGBDMM CCc1cc2c(COC(=O)COc3ccccc3[N+](=O)[O-])cc(=O)oc2cc1[O-] ZINC000011113196 1398951372 /nfs/dbraw/zinc/95/13/72/1398951372.db2.gz DGGFWNJFGAIYHN-UHFFFAOYSA-N -1 1 399.355 3.091 20 5 GGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)c1C ZINC000014097452 1399086538 /nfs/dbraw/zinc/08/65/38/1399086538.db2.gz KPHKASPZBXACPX-UHFFFAOYSA-N -1 1 389.433 3.361 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)cc2)cc1[N+](=O)[O-] ZINC000017129034 1399273629 /nfs/dbraw/zinc/27/36/29/1399273629.db2.gz DVYLEHDANYYMLK-UHFFFAOYSA-N -1 1 391.449 3.090 20 5 GGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2C)c1C ZINC000055597155 1407019593 /nfs/dbraw/zinc/01/95/93/1407019593.db2.gz LZHWPYZJTDSYAT-UHFFFAOYSA-N -1 1 391.449 3.023 20 5 GGBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)ccc1C ZINC000055615338 1407024861 /nfs/dbraw/zinc/02/48/61/1407024861.db2.gz NTBXSBTZNQKFJW-UHFFFAOYSA-N -1 1 377.422 3.279 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)cc1[N+](=O)[O-] ZINC000055631641 1407030671 /nfs/dbraw/zinc/03/06/71/1407030671.db2.gz KDBULPVJOMGQCE-INIZCTEOSA-N -1 1 392.433 3.262 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC[C@H]2CCCO2)cc1 ZINC000055631650 1407030818 /nfs/dbraw/zinc/03/08/18/1407030818.db2.gz CDNULIOFZFANSR-QGZVFWFLSA-N -1 1 392.433 3.262 20 5 GGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(C(=O)NC(C)(C)C)c1 ZINC000055632372 1407031630 /nfs/dbraw/zinc/03/16/30/1407031630.db2.gz HFGFNQFUADOEKK-UHFFFAOYSA-N -1 1 391.449 3.232 20 5 GGBDMM COCCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000055643505 1407038547 /nfs/dbraw/zinc/03/85/47/1407038547.db2.gz MVJRXLKODZYRFG-UHFFFAOYSA-N -1 1 380.422 3.038 20 5 GGBDMM COCCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000055643726 1407039454 /nfs/dbraw/zinc/03/94/54/1407039454.db2.gz SHZWBISYYFPWHV-UHFFFAOYSA-N -1 1 380.422 3.038 20 5 GGBDMM COCCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(C)c1 ZINC000055643602 1407039495 /nfs/dbraw/zinc/03/94/95/1407039495.db2.gz BXQKBVZRGWDZCZ-UHFFFAOYSA-N -1 1 394.449 3.346 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)cc1[N+](=O)[O-] ZINC000024427573 1399630060 /nfs/dbraw/zinc/63/00/60/1399630060.db2.gz YPOOMIDBIVIZCK-UHFFFAOYSA-N -1 1 392.437 3.234 20 5 GGBDMM COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)N2CCCCC2)cc1 ZINC000027669033 1400073710 /nfs/dbraw/zinc/07/37/10/1400073710.db2.gz DNWZSIQLFKSZRH-LJQANCHMSA-N -1 1 399.447 3.266 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c(Br)c1 ZINC000028239951 1400142231 /nfs/dbraw/zinc/14/22/31/1400142231.db2.gz BCSIWGKDESXOEB-UHFFFAOYSA-N -1 1 386.227 3.049 20 5 GGBDMM CCCCc1nnc([N-]C(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])s1 ZINC000028244160 1400142568 /nfs/dbraw/zinc/14/25/68/1400142568.db2.gz YGZFKVYQXOPVGF-UHFFFAOYSA-N -1 1 380.426 3.449 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3coc(C)n3)cc2)cc1[N+](=O)[O-] ZINC000029433358 1400297715 /nfs/dbraw/zinc/29/77/15/1400297715.db2.gz BLQUKVXUSPDIKE-UHFFFAOYSA-N -1 1 389.389 3.368 20 5 GGBDMM CC[C@@H]1CN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCO1 ZINC000029584825 1400318162 /nfs/dbraw/zinc/31/81/62/1400318162.db2.gz BVXPCALZVCUNHO-OAHLLOKOSA-N -1 1 391.449 3.011 20 5 GGBDMM CC[C@H]1CN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCO1 ZINC000029584827 1400318304 /nfs/dbraw/zinc/31/83/04/1400318304.db2.gz BVXPCALZVCUNHO-HNNXBMFYSA-N -1 1 391.449 3.011 20 5 GGBDMM CC1(C)CN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCO1 ZINC000029619137 1400324205 /nfs/dbraw/zinc/32/42/05/1400324205.db2.gz YMAHRQZMWLILAT-UHFFFAOYSA-N -1 1 391.449 3.011 20 5 GGBDMM CCOc1cc(C(=O)[N-]c2nnc(C(C)(C)C)s2)c([N+](=O)[O-])cc1OC ZINC000055975831 1407155859 /nfs/dbraw/zinc/15/58/59/1407155859.db2.gz NBKTVUYVPRAPQA-UHFFFAOYSA-N -1 1 380.426 3.403 20 5 GGBDMM O=C(c1cc2ccccc2cc1[O-])N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000044614738 1403963600 /nfs/dbraw/zinc/96/36/00/1403963600.db2.gz ROLHKEOMKDPXOG-UHFFFAOYSA-N -1 1 377.400 3.416 20 5 GGBDMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])o1 ZINC000046611624 1404508362 /nfs/dbraw/zinc/50/83/62/1404508362.db2.gz PZJWMVXFOZBPSB-UHFFFAOYSA-N -1 1 387.373 3.241 20 5 GGBDMM CC(C)(C)c1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1[N+](=O)[O-] ZINC000824135359 1426176792 /nfs/dbraw/zinc/17/67/92/1426176792.db2.gz DOONJDPKAXCWBQ-UHFFFAOYSA-N -1 1 392.419 3.275 20 5 GGBDMM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000057119167 1407523163 /nfs/dbraw/zinc/52/31/63/1407523163.db2.gz MZAVQBUWPGGZOJ-UHFFFAOYSA-N -1 1 397.840 3.187 20 5 GGBDMM Cc1sc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(-c2nnn[n-]2)c1C ZINC000737560500 1428279431 /nfs/dbraw/zinc/27/94/31/1428279431.db2.gz ALKAWENEWDXVLW-UHFFFAOYSA-N -1 1 392.828 3.288 20 5 GGBDMM CCc1cc(-c2nnn[n-]2)c(NC(=O)C=C(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000825694290 1428284239 /nfs/dbraw/zinc/28/42/39/1428284239.db2.gz NBLBMFFUBIQJMT-NTMALXAHSA-N -1 1 384.421 3.441 20 5 GGBDMM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000065223988 1408654936 /nfs/dbraw/zinc/65/49/36/1408654936.db2.gz CASZDNJASXAEEN-UHFFFAOYSA-N -1 1 386.389 3.286 20 5 GGBDMM O=C(Nc1nc(-c2cccc3ccccc32)n[nH]1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000065514803 1408682056 /nfs/dbraw/zinc/68/20/56/1408682056.db2.gz WXUUEUSTFYBNRV-UHFFFAOYSA-N -1 1 375.344 3.491 20 5 GGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C(=O)N(C)C ZINC000176526653 1428350933 /nfs/dbraw/zinc/35/09/33/1428350933.db2.gz FYPCHMSUIGVWBL-UHFFFAOYSA-N -1 1 397.840 3.059 20 5 GGBDMM Cc1nc(CC(C)C)sc1C(=O)/N=c1/nc(-c2cccc([N+](=O)[O-])c2)[nH][n-]1 ZINC000066625099 1408872381 /nfs/dbraw/zinc/87/23/81/1408872381.db2.gz YBDJNPIVSMMSAA-UHFFFAOYSA-N -1 1 386.437 3.018 20 5 GGBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H](c2n[n-]c(=S)n2C)C1 ZINC000094123067 1410305760 /nfs/dbraw/zinc/30/57/60/1410305760.db2.gz KHRUFXGSFDQWNE-ZDUSSCGKSA-N -1 1 389.481 3.331 20 5 GGBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(C)(C)C ZINC000096609949 1410334281 /nfs/dbraw/zinc/33/42/81/1410334281.db2.gz BOUIUCJDUMJHAH-VIFPVBQESA-N -1 1 379.276 3.318 20 5 GGBDMM CCOCc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000101570988 1410468933 /nfs/dbraw/zinc/46/89/33/1410468933.db2.gz LCCPCIXXROKAJS-UHFFFAOYSA-N -1 1 384.841 3.263 20 5 GGBDMM CC[C@@H](c1nnc([N-]C(=O)c2c([N+](=O)[O-])c(C)nn2C)s1)c1ccccc1 ZINC000106719485 1411285862 /nfs/dbraw/zinc/28/58/62/1411285862.db2.gz ISCHLOGVSDHKFM-GFCCVEGCSA-N -1 1 386.437 3.282 20 5 GGBDMM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cccnc2Cl)c1 ZINC000108759254 1411600966 /nfs/dbraw/zinc/60/09/66/1411600966.db2.gz NTKXRGUQJAQANV-UHFFFAOYSA-N -1 1 392.618 3.207 20 5 GGBDMM Cc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1C(=O)NC(C)C ZINC000108762046 1411602410 /nfs/dbraw/zinc/60/24/10/1411602410.db2.gz YHNYYEIJPJAPDV-UHFFFAOYSA-N -1 1 391.449 3.151 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1(Sc2ccccc2)CC1 ZINC000109346470 1411746182 /nfs/dbraw/zinc/74/61/82/1411746182.db2.gz CWBQDSLCFFQKHI-UHFFFAOYSA-N -1 1 382.438 3.337 20 5 GGBDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000115885463 1412810211 /nfs/dbraw/zinc/81/02/11/1412810211.db2.gz YBEWKDJEHUKWKL-UHFFFAOYSA-N -1 1 377.422 3.307 20 5 GGBDMM COCc1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000737016296 1428679516 /nfs/dbraw/zinc/67/95/16/1428679516.db2.gz BKUYXJCGFDSFKV-UHFFFAOYSA-N -1 1 391.391 3.082 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2nccs2)CCCC1 ZINC000116366976 1412852939 /nfs/dbraw/zinc/85/29/39/1412852939.db2.gz FIACUMHXHSBUBV-UHFFFAOYSA-N -1 1 387.870 3.453 20 5 GGBDMM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000116378489 1412853393 /nfs/dbraw/zinc/85/33/93/1412853393.db2.gz FFIFSQHXUGYQCM-UHFFFAOYSA-N -1 1 375.859 3.227 20 5 GGBDMM CSc1nc(C)c(CCC(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c(=O)[n-]1 ZINC000118687376 1413204417 /nfs/dbraw/zinc/20/44/17/1413204417.db2.gz YFSKAWUAVJGZKY-UHFFFAOYSA-N -1 1 396.856 3.242 20 5 GGBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000119576044 1413491110 /nfs/dbraw/zinc/49/11/10/1413491110.db2.gz NIVCEOGMYXPSDY-MRVPVSSYSA-N -1 1 378.378 3.297 20 5 GGBDMM Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000119646783 1413515018 /nfs/dbraw/zinc/51/50/18/1413515018.db2.gz SLTJWYURZSZXTQ-UHFFFAOYSA-N -1 1 391.449 3.151 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cs1 ZINC000120088247 1413683326 /nfs/dbraw/zinc/68/33/26/1413683326.db2.gz GDPICPVTPYBMIL-UHFFFAOYSA-N -1 1 381.204 3.359 20 5 GGBDMM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000121194816 1414040112 /nfs/dbraw/zinc/04/01/12/1414040112.db2.gz PKXITTYRCKSKTD-LJQANCHMSA-N -1 1 399.428 3.066 20 5 GGBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccnc2Br)cc1C ZINC000121381282 1414102031 /nfs/dbraw/zinc/10/20/31/1414102031.db2.gz QOZKLRTUICVUGU-UHFFFAOYSA-N -1 1 386.227 3.170 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CCCO)c1ccccc1 ZINC000121392265 1414105785 /nfs/dbraw/zinc/10/57/85/1414105785.db2.gz OMTGQVXCPUHTIC-CQSZACIVSA-N -1 1 384.841 3.040 20 5 GGBDMM CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c([N+](=O)[O-])c3)cc21 ZINC000121835896 1414273701 /nfs/dbraw/zinc/27/37/01/1414273701.db2.gz ZTFAINLPGJYMEW-UHFFFAOYSA-N -1 1 395.824 3.279 20 5 GGBDMM COc1cc(F)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1F ZINC000122027977 1414343149 /nfs/dbraw/zinc/34/31/49/1414343149.db2.gz AKBJDYHXOOFEGN-UHFFFAOYSA-N -1 1 376.312 3.130 20 5 GGBDMM Cc1cscc1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000122533951 1414492315 /nfs/dbraw/zinc/49/23/15/1414492315.db2.gz WGGAOFPKBVBTNK-UHFFFAOYSA-N -1 1 391.268 3.206 20 5 GGBDMM C[C@@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000122678163 1414536562 /nfs/dbraw/zinc/53/65/62/1414536562.db2.gz AQRNZAONMNUYMT-XHDPSFHLSA-N -1 1 384.841 3.039 20 5 GGBDMM O=[N+]([O-])c1c2cccnc2ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826497933 1428837915 /nfs/dbraw/zinc/83/79/15/1428837915.db2.gz ZLTZHIBSVTXYJS-UHFFFAOYSA-N -1 1 387.403 3.492 20 5 GGBDMM O=[N+]([O-])c1ccc(N(Cc2ccccc2)CC2(O)CCCC2)c(-c2nnn[n-]2)c1 ZINC000823639857 1428866162 /nfs/dbraw/zinc/86/61/62/1428866162.db2.gz JIZQHOPTCGLCIZ-UHFFFAOYSA-N -1 1 394.435 3.087 20 5 GGBDMM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000125435084 1415197011 /nfs/dbraw/zinc/19/70/11/1415197011.db2.gz UAMKDXBEYKGRLZ-UHFFFAOYSA-N -1 1 398.322 3.077 20 5 GGBDMM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccccc1F ZINC000824044996 1428888702 /nfs/dbraw/zinc/88/87/02/1428888702.db2.gz CNKIMJCJPCKUPL-MRVPVSSYSA-N -1 1 390.762 3.310 20 5 GGBDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C)c([N+](=O)[O-])c3)cc2C[C@@H]1C ZINC000125921279 1415313582 /nfs/dbraw/zinc/31/35/82/1415313582.db2.gz DNWYAQYUBWVYNP-LBPRGKRZSA-N -1 1 389.433 3.002 20 5 GGBDMM CC[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1ccccc1Cl ZINC000820909120 1428892578 /nfs/dbraw/zinc/89/25/78/1428892578.db2.gz UCOAKHQJFFOQLF-NSHDSACASA-N -1 1 389.803 3.093 20 5 GGBDMM O=[N+]([O-])c1ccc(NCc2nc(-c3ccc(Cl)cc3)no2)c(-c2nn[n-]n2)c1 ZINC000738368974 1428922207 /nfs/dbraw/zinc/92/22/07/1428922207.db2.gz GUSVRHCZXOAELX-UHFFFAOYSA-N -1 1 398.770 3.090 20 5 GGBDMM Cc1ccc([C@H](C)OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822231029 1428939231 /nfs/dbraw/zinc/93/92/31/1428939231.db2.gz XYIFBQHWOBLGBO-ZDUSSCGKSA-N -1 1 381.392 3.320 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N[C@@H](CCO)C3CCCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645503 1428992744 /nfs/dbraw/zinc/99/27/44/1428992744.db2.gz RVTFKUSZNXYJQC-INIZCTEOSA-N -1 1 397.439 3.066 20 5 GGBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cc1 ZINC000130373656 1416366899 /nfs/dbraw/zinc/36/68/99/1416366899.db2.gz UNIOGQMTFGZXOH-UHFFFAOYSA-N -1 1 383.813 3.316 20 5 GGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc([S@](C)=O)c1 ZINC000130662792 1416420327 /nfs/dbraw/zinc/42/03/27/1416420327.db2.gz BFUDUOPRBARKIF-HSZRJFAPSA-N -1 1 388.854 3.095 20 5 GGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CC2 ZINC000130694260 1416426688 /nfs/dbraw/zinc/42/66/88/1416426688.db2.gz LPEIUTGJVOCEDC-UHFFFAOYSA-N -1 1 395.824 3.242 20 5 GGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc([S@@](C)=O)cc1 ZINC000130707724 1416430254 /nfs/dbraw/zinc/43/02/54/1416430254.db2.gz VXEKFAIGCNSCKJ-QHCPKHFHSA-N -1 1 388.854 3.095 20 5 GGBDMM CCn1ncc2ccc([N-]S(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)cc21 ZINC000131931661 1416654478 /nfs/dbraw/zinc/65/44/78/1416654478.db2.gz ZKHBYMODPPRCGE-UHFFFAOYSA-N -1 1 378.385 3.213 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)cc([N+](=O)[O-])c1F ZINC000132666393 1416801722 /nfs/dbraw/zinc/80/17/22/1416801722.db2.gz VKGMZWPUZMFDLR-UHFFFAOYSA-N -1 1 376.369 3.233 20 5 GGBDMM O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000133051057 1416846410 /nfs/dbraw/zinc/84/64/10/1416846410.db2.gz VHPHMBHFZXYFRG-UHFFFAOYSA-N -1 1 389.795 3.084 20 5 GGBDMM Cc1noc(C)c1[C@@H](C)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826338746 1429144551 /nfs/dbraw/zinc/14/45/51/1429144551.db2.gz GVBNOZVURKFHIG-VIFPVBQESA-N -1 1 394.395 3.144 20 5 GGBDMM O=C([N-]c1nnc(C=Cc2ccco2)s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000134480899 1417074865 /nfs/dbraw/zinc/07/48/65/1417074865.db2.gz NIGNTFYDUXMSIX-GQCTYLIASA-N -1 1 382.361 3.338 20 5 GGBDMM Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(Br)n1 ZINC000135239596 1417193669 /nfs/dbraw/zinc/19/36/69/1417193669.db2.gz NBILSCVOTLWTTD-UHFFFAOYSA-N -1 1 386.227 3.170 20 5 GGBDMM CCSCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000135344850 1417210058 /nfs/dbraw/zinc/21/00/58/1417210058.db2.gz RXITWXZLDALITN-VIFPVBQESA-N -1 1 397.316 3.167 20 5 GGBDMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)c2C)o1 ZINC000135409823 1417216366 /nfs/dbraw/zinc/21/63/66/1417216366.db2.gz LGWYDVNEZPJQGV-UHFFFAOYSA-N -1 1 380.357 3.135 20 5 GGBDMM COc1cc(S(=O)(=O)[N-]c2n[nH]c(-c3ccc(C)o3)c2C)ccc1[N+](=O)[O-] ZINC000135409905 1417216379 /nfs/dbraw/zinc/21/63/79/1417216379.db2.gz BDXTUCNLHLDSRG-UHFFFAOYSA-N -1 1 392.393 3.004 20 5 GGBDMM C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820390523 1429174842 /nfs/dbraw/zinc/17/48/42/1429174842.db2.gz IATIOGBNDACZRU-SNVBAGLBSA-N -1 1 378.348 3.012 20 5 GGBDMM COc1ccc(C2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cc1 ZINC000821787242 1429199668 /nfs/dbraw/zinc/19/96/68/1429199668.db2.gz QLHVJBHHXJHGLG-UHFFFAOYSA-N -1 1 380.408 3.168 20 5 GGBDMM CCC(CC)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)s1 ZINC000145529345 1417690853 /nfs/dbraw/zinc/69/08/53/1417690853.db2.gz JMNUDQYBVHFNBV-UHFFFAOYSA-N -1 1 398.466 3.006 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000146252645 1417712960 /nfs/dbraw/zinc/71/29/60/1417712960.db2.gz MAPIIAIEKGELFV-RDTXWAMCSA-N -1 1 394.424 3.180 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc([N+](=O)[O-])c1F ZINC000179186916 1429289194 /nfs/dbraw/zinc/28/91/94/1429289194.db2.gz HQXLYLWQJJNJBY-UHFFFAOYSA-N -1 1 376.312 3.445 20 5 GGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737264241 1429402379 /nfs/dbraw/zinc/40/23/79/1429402379.db2.gz OOFZZMVGBGVBJO-UHFFFAOYSA-N -1 1 376.716 3.437 20 5 GGBDMM O=C(C=Cc1cccc(F)c1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826401024 1429449086 /nfs/dbraw/zinc/44/90/86/1429449086.db2.gz NGSRZKCFSKQGOW-PLNGDYQASA-N -1 1 388.746 3.219 20 5 GGBDMM C[C@@H]1CCCN(c2cc(N3CCC[C@H](C)C3)cc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000736278688 1429480582 /nfs/dbraw/zinc/48/05/82/1429480582.db2.gz UKIIQUGTFNGHLX-UONOGXRCSA-N -1 1 385.472 3.248 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1 ZINC000737367924 1429521034 /nfs/dbraw/zinc/52/10/34/1429521034.db2.gz DDKXJZPVKQLZHX-UHFFFAOYSA-N -1 1 382.380 3.123 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cc(F)cc(F)c3)[nH]n2)c1 ZINC000153192158 1422387264 /nfs/dbraw/zinc/38/72/64/1422387264.db2.gz HTAVXRRYSTTWOE-UHFFFAOYSA-N -1 1 380.332 3.064 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cnc1Cl ZINC000153194921 1422388020 /nfs/dbraw/zinc/38/80/20/1422388020.db2.gz ZPVOODPKDRCLMI-UHFFFAOYSA-N -1 1 393.812 3.143 20 5 GGBDMM Cc1cccc(NC2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)c1 ZINC000737399929 1429565783 /nfs/dbraw/zinc/56/57/83/1429565783.db2.gz PDUACVDNCUEQKI-UHFFFAOYSA-N -1 1 379.424 3.164 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)cc([N+](=O)[O-])c1F ZINC000154258151 1422863082 /nfs/dbraw/zinc/86/30/82/1422863082.db2.gz DYZYTENAVZBVTF-UHFFFAOYSA-N -1 1 393.396 3.192 20 5 GGBDMM COc1ccc2oc([C@H](C)Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])c(C)c2c1 ZINC000821854628 1429606383 /nfs/dbraw/zinc/60/63/83/1429606383.db2.gz PQNHNXALOSFQQG-JTQLQIEISA-N -1 1 395.379 3.406 20 5 GGBDMM CC(=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1C)c1ccc([N+](=O)[O-])cc1 ZINC000823943708 1423303292 /nfs/dbraw/zinc/30/32/92/1423303292.db2.gz RGBCKMAUSOXCBZ-RAXLEYEMSA-N -1 1 379.376 3.230 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2nnc(CSc3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000823635185 1423392557 /nfs/dbraw/zinc/39/25/57/1423392557.db2.gz RSFUSUDSCNFLIP-UHFFFAOYSA-N -1 1 381.377 3.117 20 5 GGBDMM Cc1cc(Cl)ccc1OCCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822201878 1423562435 /nfs/dbraw/zinc/56/24/35/1423562435.db2.gz AANLIPDYHYTIFS-UHFFFAOYSA-N -1 1 389.803 3.013 20 5 GGBDMM COc1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c(C)c1 ZINC000821821294 1423563948 /nfs/dbraw/zinc/56/39/48/1423563948.db2.gz DTBQCIWYCXJLMS-UHFFFAOYSA-N -1 1 391.391 3.252 20 5 GGBDMM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000155998790 1423627254 /nfs/dbraw/zinc/62/72/54/1423627254.db2.gz XPKZVGMZLWIHQY-UHFFFAOYSA-N -1 1 387.845 3.148 20 5 GGBDMM O=[N+]([O-])c1cc(Br)cnc1Sc1ccc(-c2nn[n-]n2)cc1F ZINC000823634481 1423649525 /nfs/dbraw/zinc/64/95/25/1423649525.db2.gz HHMGRCHHAMXXRY-UHFFFAOYSA-N -1 1 397.189 3.223 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822270899 1429667103 /nfs/dbraw/zinc/66/71/03/1429667103.db2.gz BYIIROBRVNTRFQ-UHFFFAOYSA-N -1 1 376.323 3.297 20 5 GGBDMM C[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3CCC[C@@H](C)C3)c2)C1 ZINC000736278689 1423813437 /nfs/dbraw/zinc/81/34/37/1423813437.db2.gz UKIIQUGTFNGHLX-ZIAGYGMSSA-N -1 1 385.472 3.248 20 5 GGBDMM O=C1CCc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)c(F)cc2N1 ZINC000156965813 1423894085 /nfs/dbraw/zinc/89/40/85/1423894085.db2.gz OLDLMXLEAFYCOZ-UHFFFAOYSA-N -1 1 399.787 3.073 20 5 GGBDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000826244030 1423934303 /nfs/dbraw/zinc/93/43/03/1423934303.db2.gz FEBWDRDAYHEVTQ-UHFFFAOYSA-N -1 1 380.408 3.134 20 5 GGBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000157221588 1423959586 /nfs/dbraw/zinc/95/95/86/1423959586.db2.gz DGIGRRMTAOIEAU-UHFFFAOYSA-N -1 1 376.434 3.368 20 5 GGBDMM Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3cc([N+](=O)[O-])c([O-])cc3C)c2C)o1 ZINC000157374473 1423997136 /nfs/dbraw/zinc/99/71/36/1423997136.db2.gz SUUGBCUOHNMQIM-UHFFFAOYSA-N -1 1 392.393 3.010 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)cc1[N+](=O)[O-] ZINC000157754452 1424081069 /nfs/dbraw/zinc/08/10/69/1424081069.db2.gz RNVVUHDFHVLMGZ-UHFFFAOYSA-N -1 1 375.362 3.059 20 5 GGBDMM CC[C@@H]1CCN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3CC[C@@H](CC)C3)c2)C1 ZINC000820989720 1424086792 /nfs/dbraw/zinc/08/67/92/1424086792.db2.gz ZIKYQAPQFVBZJV-ZIAGYGMSSA-N -1 1 385.472 3.248 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1 ZINC000157843717 1424102657 /nfs/dbraw/zinc/10/26/57/1424102657.db2.gz ZOXHFFNNZMXHBF-UHFFFAOYSA-N -1 1 393.490 3.257 20 5 GGBDMM Cc1ccc(CN(C)c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000822237101 1424286213 /nfs/dbraw/zinc/28/62/13/1424286213.db2.gz FHZSXMQRKYLPTP-UHFFFAOYSA-N -1 1 381.421 3.329 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000823630307 1424307728 /nfs/dbraw/zinc/30/77/28/1424307728.db2.gz WMQCXFPGNMSUMU-WMLDXEAASA-N -1 1 398.423 3.241 20 5 GGBDMM CC(C)OC(=O)C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC000820142699 1429719835 /nfs/dbraw/zinc/71/98/35/1429719835.db2.gz RYPWTWRTEZRCPG-INIZCTEOSA-N -1 1 396.407 3.270 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(CC2CCCCC2)n[nH]1 ZINC000159854391 1424543573 /nfs/dbraw/zinc/54/35/73/1424543573.db2.gz UHESYGKAOCDIOI-UHFFFAOYSA-N -1 1 382.417 3.381 20 5 GGBDMM CC(C)(C)[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824077658 1424592954 /nfs/dbraw/zinc/59/29/54/1424592954.db2.gz CUOSVSVZWKHXPH-MEDUHNTESA-N -1 1 397.439 3.329 20 5 GGBDMM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cc(-c2ccc(F)cc2)on1 ZINC000160693351 1424627217 /nfs/dbraw/zinc/62/72/17/1424627217.db2.gz PHWKGDNZERRYNM-UHFFFAOYSA-N -1 1 394.322 3.426 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccccc1Cl ZINC000826451197 1424705569 /nfs/dbraw/zinc/70/55/69/1424705569.db2.gz VGHLZCVWYHSURO-UHFFFAOYSA-N -1 1 379.163 3.334 20 5 GGBDMM Cc1nccn1-c1ccc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1F ZINC000822479008 1424897976 /nfs/dbraw/zinc/89/79/76/1424897976.db2.gz XDIIKDZMKVWPOC-UHFFFAOYSA-N -1 1 394.370 3.020 20 5 GGBDMM CCN(C(=O)c1csc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825390290 1424937902 /nfs/dbraw/zinc/93/79/02/1424937902.db2.gz CKIUINIXHRWZOH-UHFFFAOYSA-N -1 1 378.801 3.157 20 5 GGBDMM Cc1ccc(NCCCNc2ncc(-c3nnn[n-]3)cc2Cl)c([N+](=O)[O-])c1 ZINC000737362443 1424941001 /nfs/dbraw/zinc/94/10/01/1424941001.db2.gz OYVDVNFKNYJYSY-UHFFFAOYSA-N -1 1 388.819 3.046 20 5 GGBDMM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000826254137 1424984210 /nfs/dbraw/zinc/98/42/10/1424984210.db2.gz WKRGNQHYVPIYAX-UHFFFAOYSA-N -1 1 387.783 3.023 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000180160357 1429771142 /nfs/dbraw/zinc/77/11/42/1429771142.db2.gz UXOCRHCNWPYPCC-UHFFFAOYSA-N -1 1 389.433 3.287 20 5 GGBDMM Cc1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cc1F ZINC000737342172 1425038568 /nfs/dbraw/zinc/03/85/68/1425038568.db2.gz LXSIDGLZGMLACQ-UHFFFAOYSA-N -1 1 379.355 3.383 20 5 GGBDMM O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164035171 1425070400 /nfs/dbraw/zinc/07/04/00/1425070400.db2.gz MBTYOAGFDRGCAZ-UHFFFAOYSA-N -1 1 389.839 3.348 20 5 GGBDMM Cc1cccc([C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c2ccccn2)c1 ZINC000826296603 1425081237 /nfs/dbraw/zinc/08/12/37/1425081237.db2.gz CAKNQCKYPIEITC-INIZCTEOSA-N -1 1 388.391 3.075 20 5 GGBDMM Cc1ccccc1OCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822366599 1425135438 /nfs/dbraw/zinc/13/54/38/1425135438.db2.gz OSVQDTPHGVUGIC-UHFFFAOYSA-N -1 1 391.391 3.122 20 5 GGBDMM Cc1ccc(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000737366475 1425146322 /nfs/dbraw/zinc/14/63/22/1425146322.db2.gz ZKCHGPHQWHBKPH-UHFFFAOYSA-N -1 1 397.391 3.238 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)cnc1NCCSCc1ccccc1-c1nn[n-]n1 ZINC000823634678 1425161557 /nfs/dbraw/zinc/16/15/57/1425161557.db2.gz JVUYTFFCWVQTGA-UHFFFAOYSA-N -1 1 391.844 3.169 20 5 GGBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)ccc1C ZINC000165164989 1425167821 /nfs/dbraw/zinc/16/78/21/1425167821.db2.gz WVXAHBJXDQYLAB-UHFFFAOYSA-N -1 1 377.422 3.279 20 5 GGBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)ccc1F ZINC000165170584 1425168370 /nfs/dbraw/zinc/16/83/70/1425168370.db2.gz CFYKSUPYKXYLDM-UHFFFAOYSA-N -1 1 381.385 3.110 20 5 GGBDMM CN(Cc1ccc(Cl)c(Cl)c1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821609720 1425300086 /nfs/dbraw/zinc/30/00/86/1425300086.db2.gz IWVNKPCSLCIEKS-UHFFFAOYSA-N -1 1 380.195 3.113 20 5 GGBDMM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826452505 1425329420 /nfs/dbraw/zinc/32/94/20/1425329420.db2.gz VYWHNQZUQGDROG-UHFFFAOYSA-N -1 1 394.725 3.159 20 5 GGBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000170994454 1425427169 /nfs/dbraw/zinc/42/71/69/1425427169.db2.gz IYNNKHGJKLTMKD-UHFFFAOYSA-N -1 1 389.433 3.139 20 5 GGBDMM C[C@H]1CN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCCO1 ZINC000171047695 1425454582 /nfs/dbraw/zinc/45/45/82/1425454582.db2.gz XCRUGDBJBGCKDO-AWEZNQCLSA-N -1 1 391.449 3.011 20 5 GGBDMM CS[C@@H]1CCC[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821951299 1425509486 /nfs/dbraw/zinc/50/94/86/1425509486.db2.gz WBSPOKWBVQZGOZ-CMPLNLGQSA-N -1 1 385.453 3.409 20 5 GGBDMM CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1-c1nnn[n-]1 ZINC000825825931 1425517811 /nfs/dbraw/zinc/51/78/11/1425517811.db2.gz OIAANFUNERZSQG-UHFFFAOYSA-N -1 1 392.297 3.070 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000737369343 1425561290 /nfs/dbraw/zinc/56/12/90/1425561290.db2.gz RQKCKHZPHPTHBI-UHFFFAOYSA-N -1 1 380.408 3.134 20 5 GGBDMM O=[N+]([O-])c1ccc(NCc2cccnc2OC2CCCC2)cc1-c1nn[n-]n1 ZINC000826498755 1425570439 /nfs/dbraw/zinc/57/04/39/1425570439.db2.gz IKXQYHRDBYZOQM-UHFFFAOYSA-N -1 1 381.396 3.103 20 5 GGBDMM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000826465671 1425633276 /nfs/dbraw/zinc/63/32/76/1425633276.db2.gz WTCNJZFGSMSLTC-UHFFFAOYSA-N -1 1 394.174 3.439 20 5 GGBDMM Cn1c2ccccc2nc1[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822596176 1425635546 /nfs/dbraw/zinc/63/55/46/1425635546.db2.gz IJAAQKBUJGYRJR-INIZCTEOSA-N -1 1 390.407 3.003 20 5 GGBDMM CC[C@H]1CCN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3CC[C@H](CC)C3)c2)C1 ZINC000820989717 1425650319 /nfs/dbraw/zinc/65/03/19/1425650319.db2.gz ZIKYQAPQFVBZJV-KBPBESRZSA-N -1 1 385.472 3.248 20 5 GGBDMM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000826252897 1425783889 /nfs/dbraw/zinc/78/38/89/1425783889.db2.gz XHQWWLFEXAWZEZ-LBPRGKRZSA-N -1 1 399.432 3.307 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H](O)c1cc2ccccc2s1 ZINC000823630252 1425910202 /nfs/dbraw/zinc/91/02/02/1425910202.db2.gz UHYPDANTOSSKHA-AWEZNQCLSA-N -1 1 382.405 3.135 20 5 GGBDMM O=[N+]([O-])c1ccc(NCc2ccc(Br)cc2F)c(-c2nnn[n-]2)c1 ZINC000738368888 1425982792 /nfs/dbraw/zinc/98/27/92/1425982792.db2.gz FIZLCXARDXEGNR-UHFFFAOYSA-N -1 1 393.176 3.289 20 5 GGBDMM COCCCOc1cc(C)ccc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821688540 1425995400 /nfs/dbraw/zinc/99/54/00/1425995400.db2.gz OSCFKGPSJJDPNS-UHFFFAOYSA-N -1 1 398.423 3.111 20 5 GGBDMM C[C@H]1CSCCN1c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000172373644 1426018124 /nfs/dbraw/zinc/01/81/24/1426018124.db2.gz SDARPYVXZBMEKZ-ZDUSSCGKSA-N -1 1 393.490 3.337 20 5 GGBDMM Cc1nn(C)c(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c1[N+](=O)[O-] ZINC000737511234 1426032356 /nfs/dbraw/zinc/03/23/56/1426032356.db2.gz IVWSISVYFBSLBQ-UHFFFAOYSA-N -1 1 396.436 3.157 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]3c3cccnc3)cc(-c3nn[n-]n3)c2c1 ZINC000823643814 1426097713 /nfs/dbraw/zinc/09/77/13/1426097713.db2.gz BULFDMDCJJWESK-QGZVFWFLSA-N -1 1 388.391 3.060 20 5 GGBDMM CCCOc1ccc([C@@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1OC ZINC000821134293 1426172745 /nfs/dbraw/zinc/17/27/45/1426172745.db2.gz SDZVTXMECPNWFA-LLVKDONJSA-N -1 1 399.411 3.140 20 5 GGBDMM CN(Cc1cc(Cl)cc(Cl)c1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821607266 1426222496 /nfs/dbraw/zinc/22/24/96/1426222496.db2.gz GYYSWINKDIKXPV-UHFFFAOYSA-N -1 1 380.195 3.113 20 5 GGBDMM COC(=O)C=Cc1ccc(Sc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000821657422 1426222633 /nfs/dbraw/zinc/22/26/33/1426222633.db2.gz NPANKSKNVGSCDE-SOFGYWHQSA-N -1 1 383.389 3.112 20 5 GGBDMM Cc1c(Cn2cc(-c3nnn[n-]3)c(=O)c3cc(Cl)ccc32)cccc1[N+](=O)[O-] ZINC000737215474 1426237511 /nfs/dbraw/zinc/23/75/11/1426237511.db2.gz ITZQQLNWTMWKFU-UHFFFAOYSA-N -1 1 396.794 3.100 20 5 GGBDMM CC(C)OC(=O)C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000820142843 1426339818 /nfs/dbraw/zinc/33/98/18/1426339818.db2.gz YLKNPZKTZYNJLQ-KRWDZBQOSA-N -1 1 396.407 3.270 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](c1nccs1)c1ccccc1 ZINC000738357537 1426414008 /nfs/dbraw/zinc/41/40/08/1426414008.db2.gz FDYAFZSHSYPVDJ-HNNXBMFYSA-N -1 1 379.405 3.433 20 5 GGBDMM CCOc1ccc([C@H](C)NCc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC000825631894 1426429661 /nfs/dbraw/zinc/42/96/61/1426429661.db2.gz IHNXUTYLSVPOEB-NSHDSACASA-N -1 1 386.387 3.164 20 5 GGBDMM CCOC(=O)Nc1ccc(NCc2ccc(C)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000825552675 1426455911 /nfs/dbraw/zinc/45/59/11/1426455911.db2.gz CYABIJMFXKSDBK-UHFFFAOYSA-N -1 1 397.395 3.264 20 5 GGBDMM CC[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1c(C)noc1C ZINC000825146185 1426477949 /nfs/dbraw/zinc/47/79/49/1426477949.db2.gz ACTDSRQIEACQMR-AWEZNQCLSA-N -1 1 394.395 3.491 20 5 GGBDMM COc1cccc(C=C2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)c1 ZINC000821862913 1426482336 /nfs/dbraw/zinc/48/23/36/1426482336.db2.gz GLJCWNPBVVLIIB-UHFFFAOYSA-N -1 1 392.419 3.467 20 5 GGBDMM CC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1cccc([N+](=O)[O-])c1 ZINC000820919499 1426499144 /nfs/dbraw/zinc/49/91/44/1426499144.db2.gz DMBBFOUCHBKGRH-OAHLLOKOSA-N -1 1 381.396 3.356 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1coc(-c2ccccc2)n1 ZINC000173350241 1426527861 /nfs/dbraw/zinc/52/78/61/1426527861.db2.gz VJGQUSSRQITPNN-UHFFFAOYSA-N -1 1 393.808 3.382 20 5 GGBDMM COc1ccc(C[C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)cc1 ZINC000821790801 1426534993 /nfs/dbraw/zinc/53/49/93/1426534993.db2.gz URBQRSQQWHVXDD-HNNXBMFYSA-N -1 1 394.435 3.243 20 5 GGBDMM O=C(Nc1ccccc1-c1nn[n-]n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000738192851 1426591595 /nfs/dbraw/zinc/59/15/95/1426591595.db2.gz YEHYQZRGQMCKSK-UHFFFAOYSA-N -1 1 393.388 3.151 20 5 GGBDMM O=[N+]([O-])c1ccccc1CCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000823647541 1426606142 /nfs/dbraw/zinc/60/61/42/1426606142.db2.gz LVUACUBAIIIVCO-UHFFFAOYSA-N -1 1 397.345 3.256 20 5 GGBDMM Cc1nnc(SCc2ccc(Cl)cc2[N+](=O)[O-])c(-c2nnn[n-]2)c1C ZINC000826337665 1426618355 /nfs/dbraw/zinc/61/83/55/1426618355.db2.gz WLSNAISLWXLWIY-UHFFFAOYSA-N -1 1 377.817 3.127 20 5 GGBDMM O=[N+]([O-])c1cnc(Nc2ccc(N3CCCCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000823651448 1426676739 /nfs/dbraw/zinc/67/67/39/1426676739.db2.gz JYHQHUWRUJSXGQ-UHFFFAOYSA-N -1 1 380.412 3.294 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2cnn(CCCOc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000826499756 1426721698 /nfs/dbraw/zinc/72/16/98/1426721698.db2.gz WBJVXQKKTOULOB-UHFFFAOYSA-N -1 1 391.391 3.108 20 5 GGBDMM CC(C)c1cc(=O)oc2cc(Oc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc21 ZINC000820187430 1426765878 /nfs/dbraw/zinc/76/58/78/1426765878.db2.gz AMVQJTITGIZVPY-UHFFFAOYSA-N -1 1 394.347 3.192 20 5 GGBDMM CCc1nc(C)c(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)s1 ZINC000825745421 1426797621 /nfs/dbraw/zinc/79/76/21/1426797621.db2.gz LVIAYZPYUWDAHW-UHFFFAOYSA-N -1 1 393.816 3.008 20 5 GGBDMM COc1ccc(C[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)cc1 ZINC000821790011 1426799828 /nfs/dbraw/zinc/79/98/28/1426799828.db2.gz DUXMBVMCKWSPIM-HNNXBMFYSA-N -1 1 394.435 3.243 20 5 GGBDMM Cc1ccccc1[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000822352163 1426812177 /nfs/dbraw/zinc/81/21/77/1426812177.db2.gz VPLAUHHMOIITCS-SCLBCKFNSA-N -1 1 380.408 3.050 20 5 GGBDMM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000173807272 1426856533 /nfs/dbraw/zinc/85/65/33/1426856533.db2.gz CRLLFMIRKFHCOZ-AWEZNQCLSA-N -1 1 388.804 3.053 20 5 GGBDMM CC(C)n1cc([C@H](C)Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000820451648 1426860099 /nfs/dbraw/zinc/86/00/99/1426860099.db2.gz WNGFTYZTVJCMFK-NSHDSACASA-N -1 1 393.411 3.274 20 5 GGBDMM Cc1cc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)ccc1[N+](=O)[O-] ZINC000826258072 1426891676 /nfs/dbraw/zinc/89/16/76/1426891676.db2.gz YMUVLCFNEDPLLF-UHFFFAOYSA-N -1 1 390.403 3.013 20 5 GGBDMM CC(C)(C)OC(=O)CCCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000819928614 1426911172 /nfs/dbraw/zinc/91/11/72/1426911172.db2.gz RYSYZTYWXRBEQR-UHFFFAOYSA-N -1 1 376.417 3.089 20 5 GGBDMM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000820116364 1427067206 /nfs/dbraw/zinc/06/72/06/1427067206.db2.gz IXNIDUTWCJOEAI-UHFFFAOYSA-N -1 1 394.435 3.145 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)cc1[N+](=O)[O-] ZINC000174266439 1427076452 /nfs/dbraw/zinc/07/64/52/1427076452.db2.gz SOLPUHSUFOCVPD-UHFFFAOYSA-N -1 1 384.826 3.362 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1ncc(-c2ccc(F)cc2)o1 ZINC000823630122 1427081525 /nfs/dbraw/zinc/08/15/25/1427081525.db2.gz SEWDDEDZYWYSMM-UHFFFAOYSA-N -1 1 385.340 3.115 20 5 GGBDMM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000738184367 1427317342 /nfs/dbraw/zinc/31/73/42/1427317342.db2.gz PMIBJDSOPZZPGO-UHFFFAOYSA-N -1 1 391.347 3.148 20 5 GGBDMM Cc1ccc(NCCCNc2ccc(Cl)c(-c3nnn[n-]3)n2)c([N+](=O)[O-])c1 ZINC000737361944 1427336913 /nfs/dbraw/zinc/33/69/13/1427336913.db2.gz KRWBIQOIFLFTFV-UHFFFAOYSA-N -1 1 388.819 3.046 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)ccc1[N+](=O)[O-] ZINC000174742190 1427343229 /nfs/dbraw/zinc/34/32/29/1427343229.db2.gz SCILZSHSNKZBGH-UHFFFAOYSA-N -1 1 384.826 3.362 20 5 GGBDMM O=[N+]([O-])c1ccc(Br)cc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823635017 1427438268 /nfs/dbraw/zinc/43/82/68/1427438268.db2.gz PQFMWINQDIKKQS-UHFFFAOYSA-N -1 1 375.186 3.150 20 5 GGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(NC(=O)C2CC2)c1 ZINC000174997790 1427487193 /nfs/dbraw/zinc/48/71/93/1427487193.db2.gz GKHFRNBHMQLEMG-UHFFFAOYSA-N -1 1 389.433 3.361 20 5 GGBDMM CCc1cccc(CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000825721741 1427497009 /nfs/dbraw/zinc/49/70/09/1427497009.db2.gz AHFADXSZLARHOA-UHFFFAOYSA-N -1 1 386.799 3.172 20 5 GGBDMM O=[N+]([O-])c1cnc(N2CCc3cc(Cl)cc(Cl)c3C2)c(-c2nnn[n-]2)c1 ZINC000823651210 1427562272 /nfs/dbraw/zinc/56/22/72/1427562272.db2.gz IMPMSLXOKMSNAO-UHFFFAOYSA-N -1 1 392.206 3.039 20 5 GGBDMM O=[N+]([O-])c1ccsc1NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826500882 1427606290 /nfs/dbraw/zinc/60/62/90/1427606290.db2.gz PYHAGEYXSBMVSU-UHFFFAOYSA-N -1 1 387.425 3.034 20 5 GGBDMM C[C@@H]1CC[C@]2(CCN(c3cc(-c4nnn[n-]4)c4cc([N+](=O)[O-])ccc4n3)C2)C1 ZINC000824916051 1427696524 /nfs/dbraw/zinc/69/65/24/1427696524.db2.gz JGHHNYSSMIVICD-BLVKFPJESA-N -1 1 379.424 3.340 20 5 GGBDMM CN(CCc1cccc2ccccc21)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736805612 1427756603 /nfs/dbraw/zinc/75/66/03/1427756603.db2.gz HXBWCIOBEXKROO-UHFFFAOYSA-N -1 1 375.392 3.002 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000826293606 1427777305 /nfs/dbraw/zinc/77/73/05/1427777305.db2.gz VYTZUXPGLHCYAY-CHWSQXEVSA-N -1 1 397.391 3.155 20 5 GGBDMM Cn1c2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2nc1C1CC1 ZINC000826354936 1427791326 /nfs/dbraw/zinc/79/13/26/1427791326.db2.gz CCVWBKCZDLAXAE-UHFFFAOYSA-N -1 1 376.380 3.283 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1SCc1ccc(Br)cc1 ZINC000823630249 1427793376 /nfs/dbraw/zinc/79/33/76/1427793376.db2.gz UGLLMMAKWJABAE-UHFFFAOYSA-N -1 1 393.226 3.225 20 5 GGBDMM O=[N+]([O-])c1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1Cl ZINC000738367366 1427854914 /nfs/dbraw/zinc/85/49/14/1427854914.db2.gz RYYDAKNHNAIQBC-UHFFFAOYSA-N -1 1 399.754 3.057 20 5 GGBDMM O=[N+]([O-])c1cccc(Br)c1OCc1cccc(-c2nnn[n-]2)c1F ZINC000826499631 1427925279 /nfs/dbraw/zinc/92/52/79/1427925279.db2.gz QHTMWXMBNXDZPR-UHFFFAOYSA-N -1 1 394.160 3.256 20 5 GGBDMM CCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000825632023 1427972645 /nfs/dbraw/zinc/97/26/45/1427972645.db2.gz JPXBCYJRPLQPMN-UHFFFAOYSA-N -1 1 388.771 3.079 20 5 GGBDMM CC(C)Oc1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000820161624 1427991779 /nfs/dbraw/zinc/99/17/79/1427991779.db2.gz YXDRGMLSJWXLBQ-UHFFFAOYSA-N -1 1 396.407 3.133 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cc1[N+](=O)[O-] ZINC000175973902 1428006633 /nfs/dbraw/zinc/00/66/33/1428006633.db2.gz BLHXTRDSPBETPG-UHFFFAOYSA-N -1 1 389.389 3.423 20 5 GGBDMM CC(C)(C)c1ccc([C@@H](O)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000735648424 1428008537 /nfs/dbraw/zinc/00/85/37/1428008537.db2.gz DTEGDRBEJXEEBC-KRWDZBQOSA-N -1 1 382.424 3.218 20 5 GGBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2cc[nH]n2)c1 ZINC000176056815 1428055623 /nfs/dbraw/zinc/05/56/23/1428055623.db2.gz ALVYFEMQJWUKPT-UHFFFAOYSA-N -1 1 376.369 3.233 20 5 GGBDMM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000738185204 1428113593 /nfs/dbraw/zinc/11/35/93/1428113593.db2.gz ULAWSCZNLWCLST-UHFFFAOYSA-N -1 1 391.347 3.148 20 5 GGBDMM Cc1cnc(Oc2ccc(Br)cc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822399622 1428182340 /nfs/dbraw/zinc/18/23/40/1428182340.db2.gz KYJJOAYSVIHDBN-UHFFFAOYSA-N -1 1 377.158 3.033 20 5 GGBDMM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccc(F)c1 ZINC000824045418 1428197845 /nfs/dbraw/zinc/19/78/45/1428197845.db2.gz MNMCYWHWCGEYQS-MRVPVSSYSA-N -1 1 390.762 3.310 20 5 GGBDMM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826454302 1429826482 /nfs/dbraw/zinc/82/64/82/1429826482.db2.gz RIRXBVWIBNGPFY-UHFFFAOYSA-N -1 1 397.370 3.111 20 5 GGBDMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000180333959 1429838280 /nfs/dbraw/zinc/83/82/80/1429838280.db2.gz IBJBHBFCUCMBGL-UHFFFAOYSA-N -1 1 395.337 3.282 20 5 GGBDMM CCc1nc2ccccc2n1C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000180361291 1429846193 /nfs/dbraw/zinc/84/61/93/1429846193.db2.gz YQHLURIJKVRGOR-UHFFFAOYSA-N -1 1 395.419 3.085 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)[C@H](C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000826293479 1429909448 /nfs/dbraw/zinc/90/94/48/1429909448.db2.gz QRGLIHIUYJUVIS-OLZOCXBDSA-N -1 1 397.391 3.155 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000823620012 1429910458 /nfs/dbraw/zinc/91/04/58/1429910458.db2.gz GHXUPSXYHIEYKT-PWSUYJOCSA-N -1 1 391.313 3.157 20 5 GGBDMM Cc1cc(F)cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1[N+](=O)[O-] ZINC000822203408 1429913838 /nfs/dbraw/zinc/91/38/38/1429913838.db2.gz SFVCCRWRXXXEIZ-UHFFFAOYSA-N -1 1 376.735 3.128 20 5 GGBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736193474 1429945763 /nfs/dbraw/zinc/94/57/63/1429945763.db2.gz RGVLHBNRABMQDY-VIFPVBQESA-N -1 1 388.384 3.033 20 5 GGBDMM C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000820460758 1429949114 /nfs/dbraw/zinc/94/91/14/1429949114.db2.gz BNVKQMSIRPRPCJ-MRVPVSSYSA-N -1 1 390.201 3.106 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCCC[C@H]3CCCC[C@@H]3O)cc(-c3nnn[n-]3)c2c1 ZINC000823644694 1429954223 /nfs/dbraw/zinc/95/42/23/1429954223.db2.gz KPDFVXALTGAWTD-PXAZEXFGSA-N -1 1 397.439 3.066 20 5 GGBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826264001 1429968021 /nfs/dbraw/zinc/96/80/21/1429968021.db2.gz YXABQGOMSPUOAN-ZDUSSCGKSA-N -1 1 380.408 3.191 20 5 GGBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1c(F)cccc1N1CCCC1 ZINC000180812222 1430053565 /nfs/dbraw/zinc/05/35/65/1430053565.db2.gz TUBAUQPIABQROI-UHFFFAOYSA-N -1 1 379.413 3.276 20 5 GGBDMM O=[N+]([O-])c1ccc(NCc2c(F)cccc2OC(F)F)c(-c2nnn[n-]2)c1 ZINC000823639628 1430055880 /nfs/dbraw/zinc/05/58/80/1430055880.db2.gz DXYRUZQUMNBZBH-UHFFFAOYSA-N -1 1 380.286 3.128 20 5 GGBDMM COc1cc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000826180294 1430173478 /nfs/dbraw/zinc/17/34/78/1430173478.db2.gz AMVPUILTMPFECK-UHFFFAOYSA-N -1 1 396.382 3.216 20 5 GGBDMM O=[N+]([O-])c1cnc(N2CCC[C@@]3(CCCc4ccccc43)C2)c(-c2nnn[n-]2)c1 ZINC000823651446 1430194472 /nfs/dbraw/zinc/19/44/72/1430194472.db2.gz JTSIBQSMNAIJEV-FQEVSTJZSA-N -1 1 391.435 3.044 20 5 GGBDMM Cc1ccc(OC2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cc1 ZINC000737364499 1430196850 /nfs/dbraw/zinc/19/68/50/1430196850.db2.gz LAPUJJIPWWJYCD-UHFFFAOYSA-N -1 1 380.408 3.131 20 5 GGBDMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)ccc2[nH]1 ZINC000182500012 1430479089 /nfs/dbraw/zinc/47/90/89/1430479089.db2.gz PFOZDZBHNSYTEF-UHFFFAOYSA-N -1 1 387.417 3.108 20 5 GGBDMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000182862084 1430555755 /nfs/dbraw/zinc/55/57/55/1430555755.db2.gz SUZUTQNLPJIBHQ-LLVKDONJSA-N -1 1 395.824 3.259 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@H]1CCCOCC1 ZINC000182993684 1430587952 /nfs/dbraw/zinc/58/79/52/1430587952.db2.gz BSXIPVSJVWDVCX-AWEZNQCLSA-N -1 1 391.449 3.377 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000186746159 1431507222 /nfs/dbraw/zinc/50/72/22/1431507222.db2.gz JJDKWTUVNUEWRU-UHFFFAOYSA-N -1 1 384.417 3.325 20 5 GGBDMM O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186931640 1431569459 /nfs/dbraw/zinc/56/94/59/1431569459.db2.gz XPHCSSIEXAEUNB-UHFFFAOYSA-N -1 1 396.384 3.495 20 5 GGBDMM O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187189738 1431641754 /nfs/dbraw/zinc/64/17/54/1431641754.db2.gz VQMDHQBNBSGTRJ-MRXNPFEDSA-N -1 1 384.779 3.263 20 5 GGBDMM O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187189761 1431641883 /nfs/dbraw/zinc/64/18/83/1431641883.db2.gz VQMDHQBNBSGTRJ-INIZCTEOSA-N -1 1 384.779 3.263 20 5 GGBDMM C[C@@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1nn[n-]n1 ZINC000187270183 1431675356 /nfs/dbraw/zinc/67/53/56/1431675356.db2.gz FRHLMRZYKKOYFP-LBPRGKRZSA-N -1 1 398.448 3.135 20 5 GGBDMM O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188158413 1431854377 /nfs/dbraw/zinc/85/43/77/1431854377.db2.gz ANGWAONTNFWXKQ-UHFFFAOYSA-N -1 1 381.310 3.176 20 5 GGBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000191565126 1432684105 /nfs/dbraw/zinc/68/41/05/1432684105.db2.gz JZWMMHJLCFKGLZ-UHFFFAOYSA-N -1 1 389.433 3.139 20 5 GGBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000191564754 1432684217 /nfs/dbraw/zinc/68/42/17/1432684217.db2.gz VPHLZUPZAUJLAK-UHFFFAOYSA-N -1 1 389.433 3.242 20 5 GGBDMM CNC(=O)c1ccc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c(Cl)c1 ZINC000191785046 1432724903 /nfs/dbraw/zinc/72/49/03/1432724903.db2.gz XBVAHPKZKXYBNE-UHFFFAOYSA-N -1 1 397.840 3.025 20 5 GGBDMM CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000191788760 1432725355 /nfs/dbraw/zinc/72/53/55/1432725355.db2.gz OJYSEBAECWYLTR-UHFFFAOYSA-N -1 1 391.449 3.152 20 5 GGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)cc2)cc1[N+](=O)[O-] ZINC000191790706 1432725610 /nfs/dbraw/zinc/72/56/10/1432725610.db2.gz OSYNDKFFNTYZGA-UHFFFAOYSA-N -1 1 391.449 3.151 20 5 GGBDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)c2)n[nH]1 ZINC000191790807 1432725778 /nfs/dbraw/zinc/72/57/78/1432725778.db2.gz AMASXDRTVZJFJW-UHFFFAOYSA-N -1 1 387.421 3.106 20 5 GGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)cc1[N+](=O)[O-] ZINC000191796897 1432727263 /nfs/dbraw/zinc/72/72/63/1432727263.db2.gz KZJSSAJFRHFWOK-VWLOTQADSA-N -1 1 396.490 3.199 20 5 GGBDMM O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000191807370 1432729870 /nfs/dbraw/zinc/72/98/70/1432729870.db2.gz YQQUSLDKTUQWQS-NSHDSACASA-N -1 1 397.218 3.011 20 5 GGBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000192726728 1432880791 /nfs/dbraw/zinc/88/07/91/1432880791.db2.gz INRHUAFHFJXCTB-UHFFFAOYSA-N -1 1 375.721 3.096 20 5 GGBDMM Cc1nc(-c2ccc(CCNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)s2)cs1 ZINC000193363255 1432985647 /nfs/dbraw/zinc/98/56/47/1432985647.db2.gz KIKWFXRVEZITMY-UHFFFAOYSA-N -1 1 390.446 3.161 20 5 GGBDMM O=C(N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193383996 1432988548 /nfs/dbraw/zinc/98/85/48/1432988548.db2.gz NTVGLXVHEMGHMB-GOSISDBHSA-N -1 1 389.371 3.091 20 5 GGBDMM COc1ccc2[nH]cc(C3=CCN(C(=O)c4c[n-]c(=O)c([N+](=O)[O-])c4)CC3)c2c1 ZINC000193434721 1432998629 /nfs/dbraw/zinc/99/86/29/1432998629.db2.gz PABJDNDYJBICFE-UHFFFAOYSA-N -1 1 394.387 3.115 20 5 GGBDMM CC(C)(C)c1csc(C2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)n1 ZINC000193576436 1433022482 /nfs/dbraw/zinc/02/24/82/1433022482.db2.gz WRJAUUPOSHPITD-UHFFFAOYSA-N -1 1 390.465 3.469 20 5 GGBDMM Cc1ccc(CCN(Cc2ccco2)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193647210 1433033663 /nfs/dbraw/zinc/03/36/63/1433033663.db2.gz ZMIODFIUERIXFF-UHFFFAOYSA-N -1 1 381.388 3.482 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000194057746 1433109221 /nfs/dbraw/zinc/10/92/21/1433109221.db2.gz ONZCLOUKROPWGQ-INIZCTEOSA-N -1 1 393.403 3.453 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)cc1[N+](=O)[O-] ZINC000194194952 1433136043 /nfs/dbraw/zinc/13/60/43/1433136043.db2.gz CZYNGFGXUVWCKN-UHFFFAOYSA-N -1 1 375.362 3.059 20 5 GGBDMM COc1cccc(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)c1[N+](=O)[O-] ZINC000194312021 1433159447 /nfs/dbraw/zinc/15/94/47/1433159447.db2.gz NHVKKFABPNUOPG-UHFFFAOYSA-N -1 1 388.380 3.437 20 5 GGBDMM COc1ccc([C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C2CC2)cc1 ZINC000194338592 1433163856 /nfs/dbraw/zinc/16/38/56/1433163856.db2.gz ZXDDQEUYXHQRQB-MRXNPFEDSA-N -1 1 380.397 3.172 20 5 GGBDMM COc1ccc2cc(C[N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])ccc2c1 ZINC000194338974 1433163894 /nfs/dbraw/zinc/16/38/94/1433163894.db2.gz RTFBLLAEXIYNQU-UHFFFAOYSA-N -1 1 390.392 3.374 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1csc(-c2ccccc2)n1 ZINC000194340010 1433164156 /nfs/dbraw/zinc/16/41/56/1433164156.db2.gz RJSIVUOEEZXDFS-UHFFFAOYSA-N -1 1 393.421 3.336 20 5 GGBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000194341167 1433164169 /nfs/dbraw/zinc/16/41/69/1433164169.db2.gz JHUMDZZMTMTLNY-VIFPVBQESA-N -1 1 390.339 3.375 20 5 GGBDMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(C)C ZINC000194634084 1433208444 /nfs/dbraw/zinc/20/84/44/1433208444.db2.gz VUMHZOJPMMDLJG-UHFFFAOYSA-N -1 1 391.449 3.153 20 5 GGBDMM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2F)c1 ZINC000194635085 1433208819 /nfs/dbraw/zinc/20/88/19/1433208819.db2.gz KVXYQFPARSQVQH-UHFFFAOYSA-N -1 1 376.369 3.029 20 5 GGBDMM CCN(Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1)C(=O)C(F)(F)F ZINC000263925502 1434049417 /nfs/dbraw/zinc/04/94/17/1434049417.db2.gz YVSYHMYNXNCBIU-UHFFFAOYSA-N -1 1 384.314 3.086 20 5 GGBDMM O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000264363134 1434102763 /nfs/dbraw/zinc/10/27/63/1434102763.db2.gz CPQGKSVSKBUWPJ-UHFFFAOYSA-N -1 1 376.800 3.455 20 5 GGBDMM Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272597045 1434912734 /nfs/dbraw/zinc/91/27/34/1434912734.db2.gz WWUMFKYMKIYQOD-UHFFFAOYSA-N -1 1 387.461 3.410 20 5 GGBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cccc(OC[C@H]3CCCO3)c2)s1 ZINC000272851795 1434936100 /nfs/dbraw/zinc/93/61/00/1434936100.db2.gz OUYDSGBXJOHMDB-CYBMUJFWSA-N -1 1 398.462 3.361 20 5 GGBDMM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000274908781 1435103026 /nfs/dbraw/zinc/10/30/26/1435103026.db2.gz XDJJBSMOFHWEIW-UHFFFAOYSA-N -1 1 393.403 3.105 20 5 GGBDMM Cc1nn(C)c(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)c1[N+](=O)[O-] ZINC000277632854 1435317845 /nfs/dbraw/zinc/31/78/45/1435317845.db2.gz RNPFWCNJQFBOCR-ZDUSSCGKSA-N -1 1 398.448 3.209 20 5 GGBDMM COC(=O)c1c[n-]c(SCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])n1 ZINC000278658355 1435411270 /nfs/dbraw/zinc/41/12/70/1435411270.db2.gz NABRLDCWQGIJTK-UHFFFAOYSA-N -1 1 389.336 3.007 20 5 GGBDMM O=C([N-]CC1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1)C(F)(F)F ZINC000281930672 1435827290 /nfs/dbraw/zinc/82/72/90/1435827290.db2.gz QZMVVMNSVJPYQG-UHFFFAOYSA-N -1 1 382.342 3.038 20 5 GGBDMM COc1cccc([C@@H]2C[C@H](C)CN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000826215551 1441456886 /nfs/dbraw/zinc/45/68/86/1441456886.db2.gz RYUKVOJAJZEOLX-SGTLLEGYSA-N -1 1 380.408 3.371 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(Cl)cc1Br ZINC000823630099 1441469788 /nfs/dbraw/zinc/46/97/88/1441469788.db2.gz RJUQIWOYIIMHPT-UHFFFAOYSA-N -1 1 397.576 3.378 20 5 GGBDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000822936449 1441473288 /nfs/dbraw/zinc/47/32/88/1441473288.db2.gz UWXMYJIUPTZPKP-YVMONPNESA-N -1 1 385.767 3.185 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826293695 1441508506 /nfs/dbraw/zinc/50/85/06/1441508506.db2.gz YPNKPQYDOQYGBW-VIFPVBQESA-N -1 1 389.318 3.280 20 5 GGBDMM Cc1ccc([C@@H](C)OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000822230545 1441522319 /nfs/dbraw/zinc/52/23/19/1441522319.db2.gz JRROXQSGWBRWKJ-SECBINFHSA-N -1 1 389.318 3.280 20 5 GGBDMM O=[N+]([O-])c1ccccc1OCCSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000738370595 1441549781 /nfs/dbraw/zinc/54/97/81/1441549781.db2.gz WINYKZNOWRXHNA-UHFFFAOYSA-N -1 1 375.385 3.226 20 5 GGBDMM C[C@H](OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824707692 1441726875 /nfs/dbraw/zinc/72/68/75/1441726875.db2.gz TYNKPHRLVPTDDQ-JTQLQIEISA-N -1 1 389.318 3.171 20 5 GGBDMM O=[N+]([O-])c1ccc(Nc2ccc(N3CCSCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000823645201 1441731983 /nfs/dbraw/zinc/73/19/83/1441731983.db2.gz PIPGUSULNRDFGQ-UHFFFAOYSA-N -1 1 383.437 3.072 20 5 GGBDMM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccc([N+](=O)[O-])s1 ZINC000826459538 1441736483 /nfs/dbraw/zinc/73/64/83/1441736483.db2.gz OAQWESHXWKHBHX-UHFFFAOYSA-N -1 1 399.417 3.212 20 5 GGBDMM COc1ccc(-c2nn[n-]n2)cc1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000826187016 1441752967 /nfs/dbraw/zinc/75/29/67/1441752967.db2.gz VQSLRVWWTOYOQX-UHFFFAOYSA-N -1 1 393.363 3.051 20 5 GGBDMM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncc([N+](=O)[O-])cc1Cl ZINC000735830491 1441770146 /nfs/dbraw/zinc/77/01/46/1441770146.db2.gz GYQGHNUWLQWJHE-UHFFFAOYSA-N -1 1 387.831 3.486 20 5 GGBDMM Cc1ccc([C@H](C)OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000822230546 1441784400 /nfs/dbraw/zinc/78/44/00/1441784400.db2.gz JRROXQSGWBRWKJ-VIFPVBQESA-N -1 1 389.318 3.280 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000822271202 1441805646 /nfs/dbraw/zinc/80/56/46/1441805646.db2.gz QGZAWWNHEPLYRL-UHFFFAOYSA-N -1 1 398.448 3.264 20 5 GGBDMM Cc1sc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822553051 1441819133 /nfs/dbraw/zinc/81/91/33/1441819133.db2.gz HULCOHBILAFHST-UHFFFAOYSA-N -1 1 388.409 3.184 20 5 GGBDMM C[C@H](Cc1ccc(C(F)(F)F)cc1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820291984 1441876545 /nfs/dbraw/zinc/87/65/45/1441876545.db2.gz BPWTXESZHDFJMD-SECBINFHSA-N -1 1 393.329 3.232 20 5 GGBDMM O=[N+]([O-])c1ccc(N2CCCCC[C@H]2C[C@H](O)c2ccco2)c(-c2nnn[n-]2)c1 ZINC000823639656 1441915604 /nfs/dbraw/zinc/91/56/04/1441915604.db2.gz FFYVXMSNCXEOJJ-GUYCJALGSA-N -1 1 398.423 3.241 20 5 GGBDMM Cc1ccccc1[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H](C)CO1 ZINC000822351122 1441931987 /nfs/dbraw/zinc/93/19/87/1441931987.db2.gz KQGNJTHEBUOQEX-UGSOOPFHSA-N -1 1 380.408 3.050 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCCc3ccc(Cl)nc3)cc(-c3nn[n-]n3)c2c1 ZINC000823645068 1441977914 /nfs/dbraw/zinc/97/79/14/1441977914.db2.gz NJEGUTXMUZPIKH-UHFFFAOYSA-N -1 1 396.798 3.026 20 5 GGBDMM CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736746806 1442109512 /nfs/dbraw/zinc/10/95/12/1442109512.db2.gz BXQDGZFZLOBOGN-UHFFFAOYSA-N -1 1 398.379 3.405 20 5 GGBDMM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000820461397 1442152421 /nfs/dbraw/zinc/15/24/21/1442152421.db2.gz JHSVUNPBFTZSMO-MRVPVSSYSA-N -1 1 379.302 3.362 20 5 GGBDMM COc1ccc(C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1OC ZINC000826191219 1442208785 /nfs/dbraw/zinc/20/87/85/1442208785.db2.gz AAKZJBHDBXHAJD-GFCCVEGCSA-N -1 1 398.423 3.083 20 5 GGBDMM CSc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000821976679 1442285537 /nfs/dbraw/zinc/28/55/37/1442285537.db2.gz CNCJLICJGAQWMQ-JTQLQIEISA-N -1 1 385.405 3.415 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCc2ccc(Br)cc21 ZINC000738359394 1442302962 /nfs/dbraw/zinc/30/29/62/1442302962.db2.gz QVDCMHXGZOSZKM-UHFFFAOYSA-N -1 1 387.197 3.232 20 5 GGBDMM COc1ccc(CNc2cc(C)nc3c2cccc3[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826203449 1442429224 /nfs/dbraw/zinc/42/92/24/1442429224.db2.gz OJZFCKXZYLNFJM-UHFFFAOYSA-N -1 1 391.391 3.252 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000823646913 1442463331 /nfs/dbraw/zinc/46/33/31/1442463331.db2.gz CTJIRZOBJWSIFJ-UHFFFAOYSA-N -1 1 399.754 3.057 20 5 GGBDMM Cc1c(NC(=O)[C@@H](C)Sc2ccccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000822060726 1443097027 /nfs/dbraw/zinc/09/70/27/1443097027.db2.gz IJYIJJCQJSZNMW-LLVKDONJSA-N -1 1 384.421 3.203 20 5 GGBDMM CCc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000821476605 1443113433 /nfs/dbraw/zinc/11/34/33/1443113433.db2.gz QCRRIGVGVUPCGZ-UHFFFAOYSA-N -1 1 394.435 3.388 20 5 GGBDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000826401678 1443140949 /nfs/dbraw/zinc/14/09/49/1443140949.db2.gz DPBLXTGAEFZQAI-SOFGYWHQSA-N -1 1 385.767 3.185 20 5 GGBDMM CC[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820914869 1443188227 /nfs/dbraw/zinc/18/82/27/1443188227.db2.gz QTPKLVXQMSYVFL-SXSDINLZSA-N -1 1 378.392 3.056 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000823630306 1443192824 /nfs/dbraw/zinc/19/28/24/1443192824.db2.gz WMQCXFPGNMSUMU-RHSMWYFYSA-N -1 1 398.423 3.241 20 5 GGBDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826401134 1443274731 /nfs/dbraw/zinc/27/47/31/1443274731.db2.gz QJYYHZUSEGQOTB-BAQGIRSFSA-N -1 1 385.767 3.185 20 5 GGBDMM CCCOc1ccc2c(c1)CCN(c1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])C2 ZINC000821134586 1443285141 /nfs/dbraw/zinc/28/51/41/1443285141.db2.gz ZCAYWCGONOOPSN-UHFFFAOYSA-N -1 1 380.408 3.126 20 5 GGBDMM Cc1ccccc1[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H](C)CO1 ZINC000822351120 1443301328 /nfs/dbraw/zinc/30/13/28/1443301328.db2.gz KQGNJTHEBUOQEX-SCLBCKFNSA-N -1 1 380.408 3.050 20 5 GGBDMM C[C@@H](c1ccccc1)n1ccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC000820570030 1443350651 /nfs/dbraw/zinc/35/06/51/1443350651.db2.gz BTYJKHURIHTNAV-LBPRGKRZSA-N -1 1 376.380 3.324 20 5 GGBDMM COc1ccc(OC)c([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC000821841656 1443404630 /nfs/dbraw/zinc/40/46/30/1443404630.db2.gz LAWHNDIBQTZGPY-INIZCTEOSA-N -1 1 396.407 3.134 20 5 GGBDMM Cc1cc(C)c(OC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000737249312 1443411518 /nfs/dbraw/zinc/41/15/18/1443411518.db2.gz WCKXIZLYAAQVAY-UHFFFAOYSA-N -1 1 385.405 3.089 20 5 GGBDMM Cc1cc(C)c([N+](=O)[O-])cc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822194974 1443470795 /nfs/dbraw/zinc/47/07/95/1443470795.db2.gz BSXDPRZOCLJEGY-UHFFFAOYSA-N -1 1 392.379 3.054 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2ccc(CNCc3cc(-c4nnn[n-]4)ccc3F)o2)cc1 ZINC000823634957 1443477098 /nfs/dbraw/zinc/47/70/98/1443477098.db2.gz OWLGDBCNVYNAFJ-UHFFFAOYSA-N -1 1 394.366 3.464 20 5 GGBDMM C[C@@H]1CCCC[C@@H]1OCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820705919 1443508058 /nfs/dbraw/zinc/50/80/58/1443508058.db2.gz WVQDXDNPZUSSHT-PXAZEXFGSA-N -1 1 397.439 3.330 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826293345 1443537243 /nfs/dbraw/zinc/53/72/43/1443537243.db2.gz LSOBFPWLUSOCNM-CHOZFAJLSA-N -1 1 379.376 3.401 20 5 GGBDMM C[C@@H](OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824707693 1443549915 /nfs/dbraw/zinc/54/99/15/1443549915.db2.gz TYNKPHRLVPTDDQ-SNVBAGLBSA-N -1 1 389.318 3.171 20 5 GGBDMM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738210397 1443576245 /nfs/dbraw/zinc/57/62/45/1443576245.db2.gz PEVWMCNDYZOSHX-UHFFFAOYSA-N -1 1 390.812 3.231 20 5 GGBDMM O=[N+]([O-])c1ccc(N[C@H](C[C@H]2CCOC2)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000826498585 1443639274 /nfs/dbraw/zinc/63/92/74/1443639274.db2.gz BLARKTPUFQDVHW-FZKQIMNGSA-N -1 1 380.408 3.355 20 5 GGBDMM O=[N+]([O-])c1ccc(OCCSCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000738366885 1443665140 /nfs/dbraw/zinc/66/51/40/1443665140.db2.gz JQEQYIWDPJYXBR-UHFFFAOYSA-N -1 1 375.385 3.226 20 5 GGBDMM CN(Cc1ccc(F)cc1-c1nnn[n-]1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000736814650 1443682754 /nfs/dbraw/zinc/68/27/54/1443682754.db2.gz RVMHKGRENIGIOV-UHFFFAOYSA-N -1 1 376.779 3.199 20 5 GGBDMM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s1 ZINC000736679340 1443686833 /nfs/dbraw/zinc/68/68/33/1443686833.db2.gz RSJIKMXWAGBCDK-UHFFFAOYSA-N -1 1 378.801 3.305 20 5 GGBDMM O=[N+]([O-])c1cnc(N2CCC[C@H](c3ccc(F)cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000826500547 1443698483 /nfs/dbraw/zinc/69/84/83/1443698483.db2.gz BSPPFXDASUBCFA-LBPRGKRZSA-N -1 1 383.387 3.083 20 5 GGBDMM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823070647 1443740129 /nfs/dbraw/zinc/74/01/29/1443740129.db2.gz JARJGYTUQWDQFZ-UHFFFAOYSA-N -1 1 390.812 3.159 20 5 GGBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820557012 1443740799 /nfs/dbraw/zinc/74/07/99/1443740799.db2.gz XELHJCUJPHJCOF-VXGBXAGGSA-N -1 1 398.448 3.133 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1ccccc1N1CCCCC1 ZINC000826497628 1443751649 /nfs/dbraw/zinc/75/16/49/1443751649.db2.gz NUIXYFZPUNCTNR-UHFFFAOYSA-N -1 1 379.424 3.377 20 5 GGBDMM COc1cc(F)cc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000826180839 1443794544 /nfs/dbraw/zinc/79/45/44/1443794544.db2.gz ZEXVNDMFXHRTBH-UHFFFAOYSA-N -1 1 395.354 3.083 20 5 GGBDMM CC(=O)c1ccc2cc(Oc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])ccc2c1 ZINC000819832897 1443865997 /nfs/dbraw/zinc/86/59/97/1443865997.db2.gz CKATYYXSWYDSBA-UHFFFAOYSA-N -1 1 376.332 3.318 20 5 GGBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735874912 1443875608 /nfs/dbraw/zinc/87/56/08/1443875608.db2.gz VZNKFQSWDLKSPJ-UHFFFAOYSA-N -1 1 399.386 3.357 20 5 GGBDMM O=[N+]([O-])c1ccc(CCNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)cc1 ZINC000738360638 1443919928 /nfs/dbraw/zinc/91/99/28/1443919928.db2.gz RIHQPBXPMPDQHT-UHFFFAOYSA-N -1 1 397.345 3.256 20 5 GGBDMM Cc1cc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)ccc1F ZINC000737263115 1443949547 /nfs/dbraw/zinc/94/95/47/1443949547.db2.gz CBQDANUEVOBCMI-UHFFFAOYSA-N -1 1 379.355 3.383 20 5 GGBDMM Cc1ccc([C@H]2OCCC[C@H]2CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822233339 1443960976 /nfs/dbraw/zinc/96/09/76/1443960976.db2.gz MXHJSOYMAOAVJM-WMLDXEAASA-N -1 1 395.423 3.058 20 5 GGBDMM O=C(NCc1ccc([N+](=O)[O-])cc1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826442079 1446142306 /nfs/dbraw/zinc/14/23/06/1446142306.db2.gz IFULPKIYRRETPZ-UHFFFAOYSA-N -1 1 393.190 3.012 20 5 GGBDMM CC(C)(C)OC(=O)C1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000824093365 1446253441 /nfs/dbraw/zinc/25/34/41/1446253441.db2.gz GEHPDNXPIDKGSB-UHFFFAOYSA-N -1 1 388.428 3.087 20 5 GGBDMM O=[N+]([O-])c1cccc(Br)c1OCc1cc(-c2nnn[n-]2)ccc1F ZINC000823648054 1446256845 /nfs/dbraw/zinc/25/68/45/1446256845.db2.gz SJFSEQMQJAUAFP-UHFFFAOYSA-N -1 1 394.160 3.256 20 5 GGBDMM Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1[N+](=O)[O-] ZINC000826281740 1446276936 /nfs/dbraw/zinc/27/69/36/1446276936.db2.gz IJIZQUZPGSNPAY-UHFFFAOYSA-N -1 1 390.403 3.013 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N[C@H]3CCc4ccccc4C3)cc(-c3nnn[n-]3)c2c1 ZINC000738366707 1446283827 /nfs/dbraw/zinc/28/38/27/1446283827.db2.gz IAVCJLFLVHJORZ-AWEZNQCLSA-N -1 1 387.403 3.293 20 5 GGBDMM C[C@H](Nc1c([N+](=O)[O-])ncn1C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824648008 1446296724 /nfs/dbraw/zinc/29/67/24/1446296724.db2.gz CTZXRCTWEPIULE-LBPRGKRZSA-N -1 1 390.407 3.349 20 5 GGBDMM CCNc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000821304575 1446297164 /nfs/dbraw/zinc/29/71/64/1446297164.db2.gz LNQWMOGVDKQYQQ-UHFFFAOYSA-N -1 1 387.787 3.112 20 5 GGBDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000822936443 1446320555 /nfs/dbraw/zinc/32/05/55/1446320555.db2.gz UWXMYJIUPTZPKP-VMPITWQZSA-N -1 1 385.767 3.185 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCCCOC3CCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823644258 1446331166 /nfs/dbraw/zinc/33/11/66/1446331166.db2.gz HZWCEQGVHUEVSG-UHFFFAOYSA-N -1 1 383.412 3.084 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(Cc2ccccc2F)CC1 ZINC000738358147 1446424364 /nfs/dbraw/zinc/42/43/64/1446424364.db2.gz LRHWQAZGDVWPCB-UHFFFAOYSA-N -1 1 382.399 3.373 20 5 GGBDMM O=[N+]([O-])c1ccccc1NCCNc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000738369302 1446448733 /nfs/dbraw/zinc/44/87/33/1446448733.db2.gz KOWPABJIMPVOBW-UHFFFAOYSA-N -1 1 393.329 3.318 20 5 GGBDMM C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508826 1446460246 /nfs/dbraw/zinc/46/02/46/1446460246.db2.gz YNXFQYMFFWRVCD-JTQLQIEISA-N -1 1 378.348 3.174 20 5 GGBDMM CSc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1[N+](=O)[O-] ZINC000821979450 1446554518 /nfs/dbraw/zinc/55/45/18/1446554518.db2.gz SFRZPMAVFLDSBX-UHFFFAOYSA-N -1 1 390.812 3.403 20 5 GGBDMM O=[N+]([O-])c1ccc(CN(c2snc(Cl)c2-c2nnn[n-]2)C2CC2)cc1 ZINC000826498465 1446564706 /nfs/dbraw/zinc/56/47/06/1446564706.db2.gz WCKVPFVOJKYRBP-UHFFFAOYSA-N -1 1 377.817 3.054 20 5 GGBDMM CCc1nnc(Oc2cc(Cl)ccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1CC ZINC000821547717 1446587125 /nfs/dbraw/zinc/58/71/25/1446587125.db2.gz AOJPWFGTGXXCQG-UHFFFAOYSA-N -1 1 375.776 3.135 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCc3ccc(F)cc3F)cc(-c3nnn[n-]3)c2c1 ZINC000823645055 1446605307 /nfs/dbraw/zinc/60/53/07/1446605307.db2.gz MWPFCTPLWKQGAP-UHFFFAOYSA-N -1 1 383.318 3.213 20 5 GGBDMM O=[N+]([O-])c1cnc(N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000738368667 1446620426 /nfs/dbraw/zinc/62/04/26/1446620426.db2.gz HVTFPRLFVSLQDA-ZWNOBZJWSA-N -1 1 391.313 3.157 20 5 GGBDMM Cc1cc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)ccc1[N+](=O)[O-] ZINC000826269265 1446671107 /nfs/dbraw/zinc/67/11/07/1446671107.db2.gz GODGEUCZTOPJFE-QGZVFWFLSA-N -1 1 396.407 3.125 20 5 GGBDMM CCO[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C12CCC2 ZINC000821358024 1446678842 /nfs/dbraw/zinc/67/88/42/1446678842.db2.gz GUHIZDIGUIUMTC-CVEARBPZSA-N -1 1 395.423 3.083 20 5 GGBDMM O=[N+]([O-])c1ccc(NC[C@H](O)c2c(Cl)cccc2Cl)c(-c2nnn[n-]2)c1 ZINC000738369545 1446681753 /nfs/dbraw/zinc/68/17/53/1446681753.db2.gz IICBWCLMRLDYHK-ZDUSSCGKSA-N -1 1 395.206 3.227 20 5 GGBDMM CC[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000820995234 1446699450 /nfs/dbraw/zinc/69/94/50/1446699450.db2.gz ONJNZUZUNRXEOO-ZFWWWQNUSA-N -1 1 379.424 3.190 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCOc1ccccc1C(F)(F)F ZINC000738357995 1446724317 /nfs/dbraw/zinc/72/43/17/1446724317.db2.gz JMSHVQLTJDPQGW-UHFFFAOYSA-N -1 1 394.313 3.285 20 5 GGBDMM Cc1c(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000737217950 1446785203 /nfs/dbraw/zinc/78/52/03/1446785203.db2.gz IDIXVDCECUWPTN-UHFFFAOYSA-N -1 1 393.407 3.280 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2ccc(CNCc3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000738368016 1446809247 /nfs/dbraw/zinc/80/92/47/1446809247.db2.gz YOAUGGHGWSKOCU-UHFFFAOYSA-N -1 1 376.376 3.325 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2ccc(CNCc3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000738368016 1446809251 /nfs/dbraw/zinc/80/92/51/1446809251.db2.gz YOAUGGHGWSKOCU-UHFFFAOYSA-N -1 1 376.376 3.325 20 5 GGBDMM COc1ccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c(OC)c1 ZINC000821786185 1446819822 /nfs/dbraw/zinc/81/98/22/1446819822.db2.gz BIXDYLDUQQCFRO-INIZCTEOSA-N -1 1 396.407 3.134 20 5 GGBDMM Cc1nn(-c2ccccc2)c(C)c1CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826332598 1446862020 /nfs/dbraw/zinc/86/20/20/1446862020.db2.gz YXUNZOCNAFIKRN-UHFFFAOYSA-N -1 1 390.407 3.190 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2noc(CNc3ccc(-c4nn[n-]n4)cc3Cl)n2)c1 ZINC000823644281 1446913023 /nfs/dbraw/zinc/91/30/23/1446913023.db2.gz JLFMQLFZVSMRHD-UHFFFAOYSA-N -1 1 398.770 3.090 20 5 GGBDMM O=[N+]([O-])c1cccc(Br)c1OCc1ccccc1-c1nnn[n-]1 ZINC000823648342 1446984792 /nfs/dbraw/zinc/98/47/92/1446984792.db2.gz VJQDEGNIDOJLEU-UHFFFAOYSA-N -1 1 376.170 3.116 20 5 GGBDMM O=C(Cc1ccc2c(c1)CCC2)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826422945 1446986116 /nfs/dbraw/zinc/98/61/16/1446986116.db2.gz RUVGKTLDCWFCNI-UHFFFAOYSA-N -1 1 398.810 3.098 20 5 GGBDMM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000826420939 1446995675 /nfs/dbraw/zinc/99/56/75/1446995675.db2.gz JVSOOFZMIVNOSF-UHFFFAOYSA-N -1 1 375.797 3.403 20 5 GGBDMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3CC[C@H](C)[C@@H]3C)c2)[C@@H]1C ZINC000820728834 1447025942 /nfs/dbraw/zinc/02/59/42/1447025942.db2.gz ZDBFGEKMFQHTGN-RQJABVFESA-N -1 1 385.472 3.244 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC1CCC(c2ccc(F)cc2)CC1 ZINC000826497730 1447032207 /nfs/dbraw/zinc/03/22/07/1447032207.db2.gz SCWXEAHZWIGPOG-UHFFFAOYSA-N -1 1 383.387 3.447 20 5 GGBDMM O=[N+]([O-])c1ccc(NCCc2coc(-c3ccc(F)cc3)n2)c(-c2nn[n-]n2)c1 ZINC000738368916 1447048617 /nfs/dbraw/zinc/04/86/17/1447048617.db2.gz FQBZMGLHHZCLFI-UHFFFAOYSA-N -1 1 395.354 3.224 20 5 GGBDMM CC1CCC(OC2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)CC1 ZINC000736246087 1447085875 /nfs/dbraw/zinc/08/58/75/1447085875.db2.gz ZALGHJWSHFMVAF-UHFFFAOYSA-N -1 1 386.456 3.339 20 5 GGBDMM CN1CC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000826029943 1447119019 /nfs/dbraw/zinc/11/90/19/1447119019.db2.gz YJPZYXMDCZDQIZ-DOTOQJQBSA-N -1 1 399.842 3.286 20 5 GGBDMM COC(=O)c1cc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc(C)c1[N+](=O)[O-] ZINC000821668164 1447143574 /nfs/dbraw/zinc/14/35/74/1447143574.db2.gz SFWIOZSXNCRWCM-NSHDSACASA-N -1 1 382.380 3.043 20 5 GGBDMM COc1cc(F)c([N+](=O)[O-])c(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826180037 1447200691 /nfs/dbraw/zinc/20/06/91/1447200691.db2.gz POSLFGAAPAOMPE-UHFFFAOYSA-N -1 1 396.382 3.216 20 5 GGBDMM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1ccc([N+](=O)[O-])o1 ZINC000738113159 1447309097 /nfs/dbraw/zinc/30/90/97/1447309097.db2.gz VOFYLHISFCSFPK-UHFFFAOYSA-N -1 1 396.388 3.026 20 5 GGBDMM O=[N+]([O-])c1cccc(CNc2ccc(-c3nnn[n-]3)cc2Br)c1 ZINC000826499633 1447329764 /nfs/dbraw/zinc/32/97/64/1447329764.db2.gz QICLFUQPUKIESF-UHFFFAOYSA-N -1 1 375.186 3.150 20 5 GGBDMM O=[N+]([O-])c1ccc(N[C@H](Cc2ccccc2)C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000823640166 1447335360 /nfs/dbraw/zinc/33/53/60/1447335360.db2.gz WIBVYIHHMKJACI-CQSZACIVSA-N -1 1 378.314 3.360 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822271120 1449013695 /nfs/dbraw/zinc/01/36/95/1449013695.db2.gz NDJZJMWRQBZYCA-UHFFFAOYSA-N -1 1 381.396 3.056 20 5 GGBDMM O=[N+]([O-])c1ccc(OCc2cc(F)ccc2-c2nnn[n-]2)c(Br)c1 ZINC000823646078 1449039882 /nfs/dbraw/zinc/03/98/82/1449039882.db2.gz ZQOVKBJFBQBZJK-UHFFFAOYSA-N -1 1 394.160 3.256 20 5 GGBDMM CC[C@@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820921139 1449045822 /nfs/dbraw/zinc/04/58/22/1449045822.db2.gz WIXZVWZETRFSLL-QGZVFWFLSA-N -1 1 395.423 3.068 20 5 GGBDMM Cc1c(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cccc1[N+](=O)[O-] ZINC000822130300 1449148818 /nfs/dbraw/zinc/14/88/18/1449148818.db2.gz SQIMGZDOBLNVBT-UHFFFAOYSA-N -1 1 377.307 3.264 20 5 GGBDMM CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380500 1449305803 /nfs/dbraw/zinc/30/58/03/1449305803.db2.gz PGEUCJWNAKMWHH-UHFFFAOYSA-N -1 1 378.348 3.188 20 5 GGBDMM O=C(C=Cc1ccsc1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826403567 1449356096 /nfs/dbraw/zinc/35/60/96/1449356096.db2.gz VWJAOCJMPBWOSE-UPHRSURJSA-N -1 1 376.785 3.142 20 5 GGBDMM O=C(CCSCc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826407937 1449425281 /nfs/dbraw/zinc/42/52/81/1449425281.db2.gz IRFRUJNJLSGHTJ-UHFFFAOYSA-N -1 1 384.421 3.037 20 5 GGBDMM C[C@@H](Cc1cccs1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736066245 1449544629 /nfs/dbraw/zinc/54/46/29/1449544629.db2.gz MIRNGZOBTNLYMB-JTQLQIEISA-N -1 1 381.421 3.428 20 5 GGBDMM Cc1ccc([C@H](C)C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)o1 ZINC000826282874 1449563687 /nfs/dbraw/zinc/56/36/87/1449563687.db2.gz DUENUHONBMHZSS-QMMMGPOBSA-N -1 1 376.760 3.072 20 5 GGBDMM Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822229561 1449586726 /nfs/dbraw/zinc/58/67/26/1449586726.db2.gz XGQVKOUBWSPFOI-QWHCGFSZSA-N -1 1 395.423 3.205 20 5 GGBDMM Cc1cccc(CCC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826298020 1449706716 /nfs/dbraw/zinc/70/67/16/1449706716.db2.gz ZIRBDPSCMNUFHZ-UHFFFAOYSA-N -1 1 386.799 3.308 20 5 GGBDMM CN(C)c1cc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c2ccccc2n1 ZINC000821588148 1449715404 /nfs/dbraw/zinc/71/54/04/1449715404.db2.gz DMRVNEAPVHABQF-UHFFFAOYSA-N -1 1 390.407 3.001 20 5 GGBDMM Cc1cc(C)c([N+](=O)[O-])c(NCCSCc2ccccc2-c2nnn[n-]2)n1 ZINC000826263618 1449727200 /nfs/dbraw/zinc/72/72/00/1449727200.db2.gz JXXLBIHZVRJJAP-UHFFFAOYSA-N -1 1 385.453 3.132 20 5 GGBDMM Cc1ccc(F)c(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826289422 1449730890 /nfs/dbraw/zinc/73/08/90/1449730890.db2.gz ZHSAFNHMHCFPJY-UHFFFAOYSA-N -1 1 376.735 3.128 20 5 GGBDMM O=[N+]([O-])c1ccc(NCc2ccccc2N2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000826499072 1449772924 /nfs/dbraw/zinc/77/29/24/1449772924.db2.gz UVIFGWFFZAPKBQ-UHFFFAOYSA-N -1 1 379.424 3.377 20 5 GGBDMM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000823418627 1449778066 /nfs/dbraw/zinc/77/80/66/1449778066.db2.gz SULCJAAYLIOXKN-UHFFFAOYSA-N -1 1 383.295 3.017 20 5 GGBDMM CC(C)(C)c1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)s1 ZINC000824130904 1449799909 /nfs/dbraw/zinc/79/99/09/1449799909.db2.gz RSECQSNXFRFZPW-UHFFFAOYSA-N -1 1 386.437 3.315 20 5 GGBDMM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000823367322 1449833658 /nfs/dbraw/zinc/83/36/58/1449833658.db2.gz JCKYALQRXVEFGE-UHFFFAOYSA-N -1 1 378.270 3.046 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccc2c(c1)CCC2 ZINC000826450834 1449859549 /nfs/dbraw/zinc/85/95/49/1449859549.db2.gz FSLDBSBGSZUONK-UHFFFAOYSA-N -1 1 384.783 3.169 20 5 GGBDMM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000737941253 1449906337 /nfs/dbraw/zinc/90/63/37/1449906337.db2.gz JSXQYSCDJVFTMV-UHFFFAOYSA-N -1 1 390.812 3.159 20 5 GGBDMM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000823319841 1449947645 /nfs/dbraw/zinc/94/76/45/1449947645.db2.gz ZWWOREGMDYNHHA-UHFFFAOYSA-N -1 1 379.163 3.334 20 5 GGBDMM COCC[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccco1 ZINC000826155534 1450116843 /nfs/dbraw/zinc/11/68/43/1450116843.db2.gz TWPJBXUIEBQKSV-OAHLLOKOSA-N -1 1 395.379 3.106 20 5 GGBDMM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826453129 1450132215 /nfs/dbraw/zinc/13/22/15/1450132215.db2.gz XHPITGVLSJGNKV-UHFFFAOYSA-N -1 1 394.725 3.159 20 5 GGBDMM Cc1scc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1C ZINC000826350395 1450239032 /nfs/dbraw/zinc/23/90/32/1450239032.db2.gz UFTQEYHEPCDVNP-UHFFFAOYSA-N -1 1 378.801 3.359 20 5 GGBDMM Cn1c2ccccc2nc1[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822596499 1450273589 /nfs/dbraw/zinc/27/35/89/1450273589.db2.gz MUQOZYKNGRTRFY-KRWDZBQOSA-N -1 1 390.407 3.003 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826293344 1450308284 /nfs/dbraw/zinc/30/82/84/1450308284.db2.gz LSOBFPWLUSOCNM-AORWBKJGSA-N -1 1 379.376 3.401 20 5 GGBDMM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cccc2cnccc21 ZINC000826451146 1450483008 /nfs/dbraw/zinc/48/30/08/1450483008.db2.gz RSNMJYANPAUTTQ-UHFFFAOYSA-N -1 1 395.766 3.229 20 5 GGBDMM O=[N+]([O-])c1ccc(N2CCCCC[C@@H]2C[C@H](O)c2ccco2)c(-c2nnn[n-]2)c1 ZINC000823639654 1450490996 /nfs/dbraw/zinc/49/09/96/1450490996.db2.gz FFYVXMSNCXEOJJ-DYVFJYSZSA-N -1 1 398.423 3.241 20 5 GGBDMM O=C([O-])[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc2ccccc2c1 ZINC000191469436 939036750 /nfs/dbraw/zinc/03/67/50/939036750.db2.gz CCHVLFPQNUWGCQ-KRWDZBQOSA-N -1 1 390.355 3.180 20 5 GGBDMM CC(=O)N(c1ccc(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1)C1CC1 ZINC001573413653 948084855 /nfs/dbraw/zinc/08/48/55/948084855.db2.gz CQECPLFDOFWCGY-UHFFFAOYSA-N -1 1 379.380 3.034 20 5 GGBDMM CC(=O)N(c1ccc(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1)C1CC1 ZINC001573413653 948084859 /nfs/dbraw/zinc/08/48/59/948084859.db2.gz CQECPLFDOFWCGY-UHFFFAOYSA-N -1 1 379.380 3.034 20 5 GGBDMM O=C([O-])C[C@H]1CCCCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001594987253 951023528 /nfs/dbraw/zinc/02/35/28/951023528.db2.gz WENUUPSMWVFCHV-LLVKDONJSA-N -1 1 380.788 3.127 20 5 GGBDMM O=C([O-])[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001594843754 954109725 /nfs/dbraw/zinc/10/97/25/954109725.db2.gz OOYXEOXWVFTOFA-AWEZNQCLSA-N -1 1 383.173 3.412 20 5 GGBDMM C[C@](NCc1ccc(Br)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001589128813 956184508 /nfs/dbraw/zinc/18/45/08/956184508.db2.gz NWSAMCBSOYQVHY-MRXNPFEDSA-N -1 1 379.210 3.447 20 5 GGBDMM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000012526246 956903589 /nfs/dbraw/zinc/90/35/89/956903589.db2.gz IMYLWRABRTWCNI-UHFFFAOYSA-N -1 1 390.295 3.113 20 5 GGBDMM Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)cc1[N+](=O)[O-] ZINC000410402627 973929601 /nfs/dbraw/zinc/92/96/01/973929601.db2.gz QEIIEJIKSGXLLU-UHFFFAOYSA-N -1 1 394.405 3.189 20 5 GGBDMM Cc1nc2ccc(S(=O)(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2s1 ZINC000427267386 974051590 /nfs/dbraw/zinc/05/15/90/974051590.db2.gz OVFKRDGJZPXJOM-UHFFFAOYSA-N -1 1 393.402 3.012 20 5 GGBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CSCCN2Cc2ccccc2)c1 ZINC000567113928 974627283 /nfs/dbraw/zinc/62/72/83/974627283.db2.gz YHXBRGOINNULCY-MRXNPFEDSA-N -1 1 387.461 3.323 20 5 GGBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC2CCN(Cc3ccc(F)cc3)CC2)n1 ZINC000573805505 974771523 /nfs/dbraw/zinc/77/15/23/974771523.db2.gz FRUMERKKPBUFCS-UHFFFAOYSA-N -1 1 388.399 3.212 20 5 GGBDMM Cc1cc(N[C@H](C)CN2CCN(c3ccccc3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000575049052 974793731 /nfs/dbraw/zinc/79/37/31/974793731.db2.gz NIPVXAPHJJLXAY-MRXNPFEDSA-N -1 1 398.463 3.224 20 5 GGBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC2CCN([C@H](C)c3ccncc3)CC2)n1 ZINC000576758070 974821827 /nfs/dbraw/zinc/82/18/27/974821827.db2.gz GFVXYXACRPZJJM-CYBMUJFWSA-N -1 1 385.424 3.029 20 5 GGBDMM CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000589559331 974966636 /nfs/dbraw/zinc/96/66/36/974966636.db2.gz SATRLSJJGJAIME-UHFFFAOYSA-N -1 1 382.369 3.104 20 5 GGBDMM CCC[C@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000592977226 974978931 /nfs/dbraw/zinc/97/89/31/974978931.db2.gz UPXCIWAJGXHSRD-KRWDZBQOSA-N -1 1 384.436 3.179 20 5 GGBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000630222881 975169448 /nfs/dbraw/zinc/16/94/48/975169448.db2.gz GBPYXIMFGNMQEL-HNNXBMFYSA-N -1 1 377.444 3.009 20 5 GGBDMM O=C([O-])c1ccc2c(=O)[nH]c(C(Cl)=Cc3cc(O)ccc3[N+](=O)[O-])nc2c1 ZINC000772796364 978744436 /nfs/dbraw/zinc/74/44/36/978744436.db2.gz HMZNREHJQBDCHH-WUXMJOGZSA-N -1 1 387.735 3.384 20 5 GGBDMM CCCCOc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC001595781285 982562983 /nfs/dbraw/zinc/56/29/83/982562983.db2.gz YAKCKTZRDJVMIA-UHFFFAOYSA-N -1 1 394.405 3.273 20 5 GGBDMM O=C([O-])/C=C/c1ccc(NC2CCN(Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000917080926 982679292 /nfs/dbraw/zinc/67/92/92/982679292.db2.gz NYMLHIAMOPESGN-FNORWQNLSA-N -1 1 382.420 3.164 20 5 GGBDMM O=C([O-])/C=C\c1ccc(NC2CCN(Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000917086238 982679473 /nfs/dbraw/zinc/67/94/73/982679473.db2.gz USYSGMFGPFUJNP-RQOWECAXSA-N -1 1 382.420 3.164 20 5 GGBDMM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H]3C[C@@]32C(=O)[O-])cc1OC ZINC001594964482 982718683 /nfs/dbraw/zinc/71/86/83/982718683.db2.gz JJJYHYBKMYDQLR-RCDCFZSISA-N -1 1 392.452 3.467 20 5 GGBDMM CCN(CC)Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)o1 ZINC001596277072 983697359 /nfs/dbraw/zinc/69/73/59/983697359.db2.gz UZKPBEIDXMMHIS-UHFFFAOYSA-N -1 1 375.381 3.289 20 5 GGBDMM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC001594533133 986134806 /nfs/dbraw/zinc/13/48/06/986134806.db2.gz APACIELFIRSMTE-IUODEOHRSA-N -1 1 393.440 3.028 20 5 GGBDMM CC[C@@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC001597291113 987376449 /nfs/dbraw/zinc/37/64/49/987376449.db2.gz BLMHLZFTAAOUPL-OAHLLOKOSA-N -1 1 389.364 3.207 20 5 GGBDMM CCc1ccc2c(c1)[C@@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)CCO2 ZINC001597569428 988335030 /nfs/dbraw/zinc/33/50/30/988335030.db2.gz VKSPRMMOLKHNHX-INIZCTEOSA-N -1 1 386.404 3.234 20 5 GGBDMM C[C@@](NC(=O)c1cccc(C(F)(F)F)c1O)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593175328 994044799 /nfs/dbraw/zinc/04/47/99/994044799.db2.gz LVQRFOOHMKYOSZ-INIZCTEOSA-N -1 1 398.293 3.049 20 5 GGBDMM COc1cccc(-c2nc(C)c(C(=O)Oc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)[nH]2)c1 ZINC001599639953 994344087 /nfs/dbraw/zinc/34/40/87/994344087.db2.gz DPSISVLIUAQDDY-UHFFFAOYSA-N -1 1 397.343 3.219 20 5 GGBDMM C[C@](NCc1ccc(-c2ccccn2)nc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593291721 994670319 /nfs/dbraw/zinc/67/03/19/994670319.db2.gz BVNNVGUFVRBJIH-HXUWFJFHSA-N -1 1 378.388 3.141 20 5 GGBDMM C[C@@](NCc1ccc(-c2ccccn2)nc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593291719 994670494 /nfs/dbraw/zinc/67/04/94/994670494.db2.gz BVNNVGUFVRBJIH-FQEVSTJZSA-N -1 1 378.388 3.141 20 5 GGBDMM C[C@](NCc1cc2c(c(Cl)c1)OCO2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593292086 994674721 /nfs/dbraw/zinc/67/47/21/994674721.db2.gz HLTVFHMPXRIILP-QGZVFWFLSA-N -1 1 378.768 3.067 20 5 GGBDMM C[C@](NCc1ccc(OCC(F)(F)F)nc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593298854 994718517 /nfs/dbraw/zinc/71/85/17/994718517.db2.gz NXWLQRPINNRNGD-MRXNPFEDSA-N -1 1 399.325 3.021 20 5 GGBDMM C[C@@](NCc1cccc2c1OC(F)(F)O2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593303523 994734214 /nfs/dbraw/zinc/73/42/14/994734214.db2.gz FPSQMHXISVDSNF-INIZCTEOSA-N -1 1 380.303 3.006 20 5 GGBDMM C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593317314 994818721 /nfs/dbraw/zinc/81/87/21/994818721.db2.gz OZAIIRCIFBHGQQ-SUMWQHHRSA-N -1 1 396.403 3.066 20 5 GGBDMM COc1cc(CN2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)ccc1[N+](=O)[O-] ZINC001599407855 997360756 /nfs/dbraw/zinc/36/07/56/997360756.db2.gz RYNCDUUEKUAMMV-GFCCVEGCSA-N -1 1 377.422 3.138 20 5 GGBDMM COC(=O)c1cc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(C(=O)[O-])c1 ZINC001598930135 997733140 /nfs/dbraw/zinc/73/31/40/997733140.db2.gz XBETWYOYUQZOOZ-UHFFFAOYSA-N -1 1 386.404 3.490 20 5 GGBDMM C[C@@]1(c2cccc(F)c2)CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001594074574 997940192 /nfs/dbraw/zinc/94/01/92/997940192.db2.gz WGFMFLSIOUNNQZ-HXUWFJFHSA-N -1 1 388.395 3.361 20 5 GGBDMM COc1ccc(CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C2CC2)cc1 ZINC001599559827 998169098 /nfs/dbraw/zinc/16/90/98/998169098.db2.gz RFRFWBWNOKLQMA-UHFFFAOYSA-N -1 1 386.404 3.231 20 5 GGBDMM COC(=O)c1ccc([N+](=O)[O-])c(CN[C@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)c1 ZINC001598989063 998719673 /nfs/dbraw/zinc/71/96/73/998719673.db2.gz ZEOCASFPWHQBDU-YEJXKQKISA-N -1 1 398.415 3.348 20 5 GGBDMM O=C(c1cc2ccccc2cc1[O-])N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000018077595 210213247 /nfs/dbraw/zinc/21/32/47/210213247.db2.gz OJSJLTHGVKDNEV-UHFFFAOYSA-N -1 1 377.400 3.416 20 5 GGBDMM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000038039705 210422161 /nfs/dbraw/zinc/42/21/61/210422161.db2.gz CEJQOIDJLTYRHE-KOLCDFICSA-N -1 1 377.260 3.214 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)cc1[N+](=O)[O-] ZINC000005127152 564213960 /nfs/dbraw/zinc/21/39/60/564213960.db2.gz QUFJTIJOLOEDRQ-UHFFFAOYSA-N -1 1 379.419 3.322 20 5 GGBDMM Cc1cc(Br)cnc1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000008697790 564250950 /nfs/dbraw/zinc/25/09/50/564250950.db2.gz BSOPCDWVURRIOZ-UHFFFAOYSA-N -1 1 386.227 3.003 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000010516249 564258438 /nfs/dbraw/zinc/25/84/38/564258438.db2.gz CHPIKHBIWXZFRD-UHFFFAOYSA-N -1 1 376.312 3.337 20 5 GGBDMM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(Br)o1 ZINC000010963526 564261319 /nfs/dbraw/zinc/26/13/19/564261319.db2.gz ZJTRYRZPBRXFFZ-UHFFFAOYSA-N -1 1 383.154 3.364 20 5 GGBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1 ZINC000018707111 564302055 /nfs/dbraw/zinc/30/20/55/564302055.db2.gz CBOBDNKLVMNOJK-UHFFFAOYSA-N -1 1 383.813 3.316 20 5 GGBDMM COc1cc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000126505874 564551177 /nfs/dbraw/zinc/55/11/77/564551177.db2.gz KQXLMZASTGTCPY-UHFFFAOYSA-N -1 1 378.740 3.336 20 5 GGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc(F)cc1C(F)(F)F ZINC000127750886 564594393 /nfs/dbraw/zinc/59/43/93/564594393.db2.gz FTWZUKHJDUDPAF-UHFFFAOYSA-N -1 1 378.303 3.231 20 5 GGBDMM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000055622218 564626589 /nfs/dbraw/zinc/62/65/89/564626589.db2.gz VZCIMNRNSQNVOQ-UHFFFAOYSA-N -1 1 383.813 3.398 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)cc1[N+](=O)[O-] ZINC000055638298 564627411 /nfs/dbraw/zinc/62/74/11/564627411.db2.gz PQUVAYPNZRKRGF-UHFFFAOYSA-N -1 1 376.312 3.445 20 5 GGBDMM Cc1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(Br)c1 ZINC000129462476 564649432 /nfs/dbraw/zinc/64/94/32/564649432.db2.gz XUMSHXVECNGFIN-UHFFFAOYSA-N -1 1 386.227 3.170 20 5 GGBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1Cl ZINC000063443879 564717610 /nfs/dbraw/zinc/71/76/10/564717610.db2.gz SZOIXIYKKODRAX-UHFFFAOYSA-N -1 1 383.813 3.316 20 5 GGBDMM Cc1ccc(-c2n[nH]c(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)n2)o1 ZINC000131929517 564728804 /nfs/dbraw/zinc/72/88/04/564728804.db2.gz VWINCJXKJCYXPF-UHFFFAOYSA-N -1 1 392.169 3.296 20 5 GGBDMM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000134156614 564795575 /nfs/dbraw/zinc/79/55/75/564795575.db2.gz KGZPRFKLDUSYOO-LLVKDONJSA-N -1 1 382.825 3.188 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000134460949 564803982 /nfs/dbraw/zinc/80/39/82/564803982.db2.gz MHRAMQTZQRFWBJ-XJKCOSOUSA-N -1 1 378.837 3.112 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCOc2ccc(F)cc21 ZINC000068938503 564829579 /nfs/dbraw/zinc/82/95/79/564829579.db2.gz NPKGVTZRQJOPHE-LBPRGKRZSA-N -1 1 386.788 3.189 20 5 GGBDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000135610482 564836677 /nfs/dbraw/zinc/83/66/77/564836677.db2.gz FIYUWXKMMSWCHK-UHFFFAOYSA-N -1 1 383.813 3.316 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2OCc2ccccc2)s1 ZINC000152942596 564978291 /nfs/dbraw/zinc/97/82/91/564978291.db2.gz IPRZNLAGFRBHGN-KGLIPLIRSA-N -1 1 382.463 3.073 20 5 GGBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nc(C(C)(C)C)cs1 ZINC000106893071 564990895 /nfs/dbraw/zinc/99/08/95/564990895.db2.gz QRQCAOZWQJXNFC-MRVPVSSYSA-N -1 1 375.497 3.450 20 5 GGBDMM O=C(c1ccc(Br)cc1[O-])N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000153436812 564995255 /nfs/dbraw/zinc/99/52/55/564995255.db2.gz SVRXTIJVGUBKNZ-UHFFFAOYSA-N -1 1 377.194 3.261 20 5 GGBDMM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000154068192 565024556 /nfs/dbraw/zinc/02/45/56/565024556.db2.gz ZVVUELGVWGGOKX-UHFFFAOYSA-N -1 1 375.859 3.307 20 5 GGBDMM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC000111363883 565053326 /nfs/dbraw/zinc/05/33/26/565053326.db2.gz QJNFSKQIYZRWSV-MRVPVSSYSA-N -1 1 375.859 3.307 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCCOC2CCCCC2)s1 ZINC000111367488 565053951 /nfs/dbraw/zinc/05/39/51/565053951.db2.gz LLDQCTNBEWBUAP-UHFFFAOYSA-N -1 1 376.500 3.454 20 5 GGBDMM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(Cl)c1 ZINC000184249004 565122794 /nfs/dbraw/zinc/12/27/94/565122794.db2.gz ASGGENWEISZANL-UHFFFAOYSA-N -1 1 380.731 3.144 20 5 GGBDMM C[C@@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000158190231 565160051 /nfs/dbraw/zinc/16/00/51/565160051.db2.gz IBQAIXCGASZXLQ-CABZTGNLSA-N -1 1 390.870 3.100 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC(F)(F)F)c(C(F)(F)F)c1 ZINC000269461372 565190760 /nfs/dbraw/zinc/19/07/60/565190760.db2.gz HKFFAURREKBSFS-UHFFFAOYSA-N -1 1 380.266 3.234 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@H](C3CC3)C2)c1Cl ZINC000295166858 565248940 /nfs/dbraw/zinc/24/89/40/565248940.db2.gz PNQIJGWZNJUKBW-CABZTGNLSA-N -1 1 395.264 3.138 20 5 GGBDMM CC1(C)C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCO1 ZINC000295212116 565251936 /nfs/dbraw/zinc/25/19/36/565251936.db2.gz USYXXQCAQIOGNA-MRVPVSSYSA-N -1 1 383.253 3.138 20 5 GGBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000167566650 565379824 /nfs/dbraw/zinc/37/98/24/565379824.db2.gz JXJBHQYWGVWFSQ-CMPLNLGQSA-N -1 1 382.825 3.091 20 5 GGBDMM Cc1cnc([C@@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C2CC2)s1 ZINC000190014014 565502075 /nfs/dbraw/zinc/50/20/75/565502075.db2.gz AJEMRJSMQNRAAR-ZDUSSCGKSA-N -1 1 381.479 3.406 20 5 GGBDMM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C2CC2)n1 ZINC000173462112 565558474 /nfs/dbraw/zinc/55/84/74/565558474.db2.gz IQPXPBJMVNBLLP-CYBMUJFWSA-N -1 1 387.870 3.443 20 5 GGBDMM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C2CC2)s1 ZINC000173488606 565560713 /nfs/dbraw/zinc/56/07/13/565560713.db2.gz PBBWSYGTLCUTMJ-ZDUSSCGKSA-N -1 1 387.870 3.443 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1(c2ccc(F)cc2)CC1 ZINC000302974017 565564651 /nfs/dbraw/zinc/56/46/51/565564651.db2.gz GUOYXWJQLJQZJH-UHFFFAOYSA-N -1 1 384.816 3.397 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1ccc(F)c(F)c1 ZINC000190943671 565571197 /nfs/dbraw/zinc/57/11/97/565571197.db2.gz KMWNKSCQUDVRCB-UHFFFAOYSA-N -1 1 376.768 3.047 20 5 GGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c1C ZINC000327460839 565630967 /nfs/dbraw/zinc/63/09/67/565630967.db2.gz WRKXDANXVMKDAR-UHFFFAOYSA-N -1 1 384.797 3.364 20 5 GGBDMM CC(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccnc1 ZINC000177018004 565822783 /nfs/dbraw/zinc/82/27/83/565822783.db2.gz ZADGMDJNDXRNBQ-ZDUSSCGKSA-N -1 1 383.857 3.361 20 5 GGBDMM C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000195669266 565891209 /nfs/dbraw/zinc/89/12/09/565891209.db2.gz KHVNZJORXKBPJI-FZMZJTMJSA-N -1 1 376.862 3.122 20 5 GGBDMM COc1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)ccc1[N+](=O)[O-] ZINC000180288115 566051319 /nfs/dbraw/zinc/05/13/19/566051319.db2.gz BOWNOVVGZLPTFQ-UHFFFAOYSA-N -1 1 378.193 3.106 20 5 GGBDMM CS(=O)(=O)c1cc(C(=O)[N-]c2c(F)cc(Cl)cc2F)cc([N+](=O)[O-])c1 ZINC000180338908 566056089 /nfs/dbraw/zinc/05/60/89/566056089.db2.gz DJVFMXLNYRVVSS-UHFFFAOYSA-N -1 1 390.751 3.182 20 5 GGBDMM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000416419860 566066319 /nfs/dbraw/zinc/06/63/19/566066319.db2.gz WMQFRDMZQKDOTN-MRVPVSSYSA-N -1 1 395.384 3.418 20 5 GGBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000416535318 566082280 /nfs/dbraw/zinc/08/22/80/566082280.db2.gz ISUNONBWOYKXFY-QMMMGPOBSA-N -1 1 387.870 3.233 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)c(Cl)cc1Cl ZINC000289971561 566150326 /nfs/dbraw/zinc/15/03/26/566150326.db2.gz UJRQWEHUDTTZOW-RNCFNFMXSA-N -1 1 395.264 3.138 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C3CC3)C2)c(Cl)cc1Cl ZINC000289971567 566150482 /nfs/dbraw/zinc/15/04/82/566150482.db2.gz UJRQWEHUDTTZOW-TVQRCGJNSA-N -1 1 395.264 3.138 20 5 GGBDMM CCSCc1ccnc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 ZINC000182734912 566221953 /nfs/dbraw/zinc/22/19/53/566221953.db2.gz KMTUYHRJADCRKK-UHFFFAOYSA-N -1 1 381.479 3.227 20 5 GGBDMM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])nc1 ZINC000599410339 566261441 /nfs/dbraw/zinc/26/14/41/566261441.db2.gz IEGTVZBFMHACPT-UHFFFAOYSA-N -1 1 383.857 3.208 20 5 GGBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 ZINC000444998501 566262385 /nfs/dbraw/zinc/26/23/85/566262385.db2.gz NNLUOVVDAMDBKF-QMMMGPOBSA-N -1 1 393.252 3.158 20 5 GGBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 ZINC000444989062 566263047 /nfs/dbraw/zinc/26/30/47/566263047.db2.gz NNLUOVVDAMDBKF-MRVPVSSYSA-N -1 1 393.252 3.158 20 5 GGBDMM C[C@H]1c2cccc(Br)c2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445134740 566269752 /nfs/dbraw/zinc/26/97/52/566269752.db2.gz IZGKWJRLMPLPKZ-VIFPVBQESA-N -1 1 392.209 3.217 20 5 GGBDMM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ncccc2Cl)c1 ZINC000481993410 566274134 /nfs/dbraw/zinc/27/41/34/566274134.db2.gz XQQZAHLMCGMONY-UHFFFAOYSA-N -1 1 392.618 3.207 20 5 GGBDMM CCN(Cc1cccc(Br)c1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000482365116 566304232 /nfs/dbraw/zinc/30/42/32/566304232.db2.gz LHVFAVXPQQZWMN-UHFFFAOYSA-N -1 1 380.198 3.120 20 5 GGBDMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C12CCCC2 ZINC000462662819 566338610 /nfs/dbraw/zinc/33/86/10/566338610.db2.gz YLTICDWUWJEULJ-KBPBESRZSA-N -1 1 388.873 3.264 20 5 GGBDMM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000462714384 566345778 /nfs/dbraw/zinc/34/57/78/566345778.db2.gz FNAOMONLGQAWHO-UWVGGRQHSA-N -1 1 379.276 3.460 20 5 GGBDMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Oc1ccccc1F ZINC000462709018 566346632 /nfs/dbraw/zinc/34/66/32/566346632.db2.gz TWBVJEMJCDBARC-SNVBAGLBSA-N -1 1 388.804 3.133 20 5 GGBDMM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000446627329 566359243 /nfs/dbraw/zinc/35/92/43/566359243.db2.gz ZZCKOHVUZQKTOC-UHFFFAOYSA-N -1 1 384.435 3.453 20 5 GGBDMM COc1cc(SC)ccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000446625414 566359554 /nfs/dbraw/zinc/35/95/54/566359554.db2.gz TVRXACZUBCEFNQ-UHFFFAOYSA-N -1 1 382.463 3.310 20 5 GGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000577268997 566418774 /nfs/dbraw/zinc/41/87/74/566418774.db2.gz GVMMBHQNKZIWAQ-JSGCOSHPSA-N -1 1 381.841 3.258 20 5 GGBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000511005296 566427580 /nfs/dbraw/zinc/42/75/80/566427580.db2.gz VTJYGFUMOKSIGN-SECBINFHSA-N -1 1 380.813 3.164 20 5 GGBDMM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1[N+](=O)[O-] ZINC000577403512 566431711 /nfs/dbraw/zinc/43/17/11/566431711.db2.gz OUWPJJASHLIXRK-UHFFFAOYSA-N -1 1 392.767 3.014 20 5 GGBDMM CCc1[n-][nH]c(=NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1Br ZINC000448316594 566467622 /nfs/dbraw/zinc/46/76/22/566467622.db2.gz XLETXQFIRLHRTD-UHFFFAOYSA-N -1 1 385.243 3.039 20 5 GGBDMM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1[N+](=O)[O-] ZINC000604043599 566552813 /nfs/dbraw/zinc/55/28/13/566552813.db2.gz WPLPQFZRHCHTNQ-UHFFFAOYSA-N -1 1 397.261 3.450 20 5 GGBDMM COCC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCC1 ZINC000578940345 566566956 /nfs/dbraw/zinc/56/69/56/566566956.db2.gz QKMGHYNFTGHFHO-UHFFFAOYSA-N -1 1 376.862 3.123 20 5 GGBDMM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000539639279 566594078 /nfs/dbraw/zinc/59/40/78/566594078.db2.gz SYNZPCCRQVWBFF-NWDGAFQWSA-N -1 1 376.862 3.120 20 5 GGBDMM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000486848623 566630105 /nfs/dbraw/zinc/63/01/05/566630105.db2.gz XQDYBUGRNUKCNT-SSDOTTSWSA-N -1 1 381.357 3.110 20 5 GGBDMM Cc1c(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cccc1[N+](=O)[O-] ZINC000580110498 566666619 /nfs/dbraw/zinc/66/66/19/566666619.db2.gz QYDRCVPHARAQPT-UHFFFAOYSA-N -1 1 376.768 3.313 20 5 GGBDMM COc1cc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000540867995 566678776 /nfs/dbraw/zinc/67/87/76/566678776.db2.gz KXTUBHLBYQBRNV-GFCCVEGCSA-N -1 1 384.376 3.249 20 5 GGBDMM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488850006 566752400 /nfs/dbraw/zinc/75/24/00/566752400.db2.gz FDVYLGHPXRMIMF-KOLCDFICSA-N -1 1 377.260 3.214 20 5 GGBDMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N(C)c1ccccc1 ZINC000516341928 566758669 /nfs/dbraw/zinc/75/86/69/566758669.db2.gz GZTKOCFXWCXHMB-GFCCVEGCSA-N -1 1 383.857 3.051 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@H]1c1c(F)cccc1F ZINC000609708444 566781271 /nfs/dbraw/zinc/78/12/71/566781271.db2.gz LLWKHQHCXJBWMD-PELKAZGASA-N -1 1 388.779 3.361 20 5 GGBDMM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000469390981 566786730 /nfs/dbraw/zinc/78/67/30/566786730.db2.gz MCNONLNORTWARZ-VIFPVBQESA-N -1 1 377.260 3.214 20 5 GGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000609985197 566797977 /nfs/dbraw/zinc/79/79/77/566797977.db2.gz QZVDVFGYKPAHTN-UHFFFAOYSA-N -1 1 384.797 3.310 20 5 GGBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000610212094 566815452 /nfs/dbraw/zinc/81/54/52/566815452.db2.gz KTXVCFITRCJZBB-SECBINFHSA-N -1 1 375.328 3.048 20 5 GGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(c2ccc(Cl)cc2)CCC1 ZINC000610262354 566818968 /nfs/dbraw/zinc/81/89/68/566818968.db2.gz DNOBFGIUQWSYNS-UHFFFAOYSA-N -1 1 381.841 3.043 20 5 GGBDMM CCOC(=O)c1nnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)s1 ZINC000610895705 566872241 /nfs/dbraw/zinc/87/22/41/566872241.db2.gz RTTXBYHMMQMVPQ-UHFFFAOYSA-N -1 1 378.391 3.090 20 5 GGBDMM Cc1cc(Br)c([O-])c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000490664508 566874445 /nfs/dbraw/zinc/87/44/45/566874445.db2.gz VTXMRQMKRHZESP-UHFFFAOYSA-N -1 1 395.165 3.352 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c(C(F)(F)F)c1 ZINC000451828621 566889525 /nfs/dbraw/zinc/88/95/25/566889525.db2.gz WNQHFCVCEQOYSJ-MRVPVSSYSA-N -1 1 388.314 3.327 20 5 GGBDMM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000518697785 566898901 /nfs/dbraw/zinc/89/89/01/566898901.db2.gz IFMBHAJZEINRPL-UHFFFAOYSA-N -1 1 375.175 3.297 20 5 GGBDMM CSc1cccc(C(=O)[N-]c2nnc(C3CCOCC3)s2)c1[N+](=O)[O-] ZINC000582865516 566899730 /nfs/dbraw/zinc/89/97/30/566899730.db2.gz HJFBZTKKWBIINV-UHFFFAOYSA-N -1 1 380.451 3.315 20 5 GGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000452164720 566945136 /nfs/dbraw/zinc/94/51/36/566945136.db2.gz VWFXSLWJZZVQCT-ZDUSSCGKSA-N -1 1 379.825 3.356 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1 ZINC000429910251 566966473 /nfs/dbraw/zinc/96/64/73/566966473.db2.gz NCRILZCMGIEBIJ-QMMMGPOBSA-N -1 1 399.213 3.071 20 5 GGBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000564409707 566972619 /nfs/dbraw/zinc/97/26/19/566972619.db2.gz KIQCNCOHAMVFIG-VIFPVBQESA-N -1 1 375.328 3.048 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCOc1ccc(F)cc1 ZINC000519889579 566977223 /nfs/dbraw/zinc/97/72/23/566977223.db2.gz YWEOQGZJVURYBH-UHFFFAOYSA-N -1 1 388.804 3.135 20 5 GGBDMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000584438824 567043570 /nfs/dbraw/zinc/04/35/70/567043570.db2.gz QLFBYDJVIFOLLA-UHFFFAOYSA-N -1 1 390.755 3.412 20 5 GGBDMM CO[C@@H](c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1ccc(Br)cc1 ZINC000546520760 567133673 /nfs/dbraw/zinc/13/36/73/567133673.db2.gz CWNXZGRSZPHSBP-GFCCVEGCSA-N -1 1 379.170 3.471 20 5 GGBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000616169898 567231415 /nfs/dbraw/zinc/23/14/15/567231415.db2.gz YHXSDTOBZKCTLL-UHFFFAOYSA-N -1 1 376.312 3.435 20 5 GGBDMM COC(=O)c1cc([N-]C(=O)c2ncsc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000525922341 567274626 /nfs/dbraw/zinc/27/46/26/567274626.db2.gz DWSWVDXVZSTDSU-UHFFFAOYSA-N -1 1 375.284 3.109 20 5 GGBDMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000475823387 567279629 /nfs/dbraw/zinc/27/96/29/567279629.db2.gz BMGFPGKVIMGHRM-UHFFFAOYSA-N -1 1 388.760 3.195 20 5 GGBDMM O=C(Nc1cc(F)c(I)c(F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000500120084 567301377 /nfs/dbraw/zinc/30/13/77/567301377.db2.gz JLRWZRRGCFKZSH-UHFFFAOYSA-N -1 1 393.087 3.058 20 5 GGBDMM O=C([O-])c1cc(F)cc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1F ZINC000548268041 567302777 /nfs/dbraw/zinc/30/27/77/567302777.db2.gz HDNLXAHBHZCHGH-UHFFFAOYSA-N -1 1 392.723 3.025 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(CN(C)C)c1 ZINC000500782876 567343688 /nfs/dbraw/zinc/34/36/88/567343688.db2.gz WZQGTYJOOUFDBH-UHFFFAOYSA-N -1 1 383.857 3.419 20 5 GGBDMM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000548977172 567365090 /nfs/dbraw/zinc/36/50/90/567365090.db2.gz OPDCQCGRTPIPQS-ZSBIGDGJSA-N -1 1 376.862 3.120 20 5 GGBDMM C[C@@H](Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000569050366 567375282 /nfs/dbraw/zinc/37/52/82/567375282.db2.gz PWYUOMONFMTYPE-VIFPVBQESA-N -1 1 390.248 3.206 20 5 GGBDMM C[C@H](Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000569050355 567375782 /nfs/dbraw/zinc/37/57/82/567375782.db2.gz PWYUOMONFMTYPE-SECBINFHSA-N -1 1 390.248 3.206 20 5 GGBDMM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000550179517 567432280 /nfs/dbraw/zinc/43/22/80/567432280.db2.gz UXJOPGSFADEOMX-UHFFFAOYSA-N -1 1 394.107 3.055 20 5 GGBDMM O=C(c1cc(Br)ccc1[O-])N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000436607858 567438990 /nfs/dbraw/zinc/43/89/90/567438990.db2.gz IYRVKLISZYWPAO-UHFFFAOYSA-N -1 1 393.193 3.098 20 5 GGBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(C(F)(F)F)CCCCC1 ZINC000619507579 567460112 /nfs/dbraw/zinc/46/01/12/567460112.db2.gz PMOBXXBVZRSLBL-UHFFFAOYSA-N -1 1 382.360 3.147 20 5 GGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCCO2 ZINC000619568153 567466432 /nfs/dbraw/zinc/46/64/32/567466432.db2.gz ZBSHQGIGNVXHRQ-UHFFFAOYSA-N -1 1 384.797 3.210 20 5 GGBDMM CCSCC[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000437709042 567506627 /nfs/dbraw/zinc/50/66/27/567506627.db2.gz OCZWKLMUZWQOJF-SECBINFHSA-N -1 1 397.316 3.167 20 5 GGBDMM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000479379609 567529193 /nfs/dbraw/zinc/52/91/93/567529193.db2.gz SBSHSCQKOWSWHQ-MFKMUULPSA-N -1 1 376.862 3.120 20 5 GGBDMM COCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000479916598 567568695 /nfs/dbraw/zinc/56/86/95/567568695.db2.gz LYDJDKKKJAZEKG-LBPRGKRZSA-N -1 1 388.829 3.206 20 5 GGBDMM COCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000479916595 567568720 /nfs/dbraw/zinc/56/87/20/567568720.db2.gz LYDJDKKKJAZEKG-GFCCVEGCSA-N -1 1 388.829 3.206 20 5 GGBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c1[N+](=O)[O-] ZINC000480193609 567587550 /nfs/dbraw/zinc/58/75/50/567587550.db2.gz LJKHSZCELRLSFS-UHFFFAOYSA-N -1 1 384.797 3.395 20 5 GGBDMM O=C(Nc1nc2ccc(Br)cc2[nH]1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000440398186 567625176 /nfs/dbraw/zinc/62/51/76/567625176.db2.gz NBMXFZQJRBSWRJ-UHFFFAOYSA-N -1 1 377.154 3.192 20 5 GGBDMM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000553462894 567656670 /nfs/dbraw/zinc/65/66/70/567656670.db2.gz KJZOWNIEUTYCTB-UHFFFAOYSA-N -1 1 392.767 3.014 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000553574547 567668033 /nfs/dbraw/zinc/66/80/33/567668033.db2.gz KSNMSKCXPGQZPR-UHFFFAOYSA-N -1 1 392.277 3.233 20 5 GGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1(c2c(Cl)cccc2Cl)CC1 ZINC000531596799 567668935 /nfs/dbraw/zinc/66/89/35/567668935.db2.gz VLPXIYSWFUZQOG-UHFFFAOYSA-N -1 1 388.232 3.264 20 5 GGBDMM COc1c(F)cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1[N+](=O)[O-] ZINC000442229573 567686564 /nfs/dbraw/zinc/68/65/64/567686564.db2.gz MVDQZQILNBWXCM-UHFFFAOYSA-N -1 1 396.730 3.475 20 5 GGBDMM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000553906259 567697379 /nfs/dbraw/zinc/69/73/79/567697379.db2.gz ORVSFABGHYLLEQ-ANRSDYALSA-N -1 1 386.788 3.188 20 5 GGBDMM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000553906263 567697876 /nfs/dbraw/zinc/69/78/76/567697876.db2.gz ORVSFABGHYLLEQ-AYVTZFPOSA-N -1 1 386.788 3.188 20 5 GGBDMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000573616025 567725650 /nfs/dbraw/zinc/72/56/50/567725650.db2.gz PEWIGWMZOGDJMM-UHFFFAOYSA-N -1 1 386.813 3.204 20 5 GGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000573772116 567735558 /nfs/dbraw/zinc/73/55/58/567735558.db2.gz DVGUAAAVWBQWSS-OAHLLOKOSA-N -1 1 381.841 3.463 20 5 GGBDMM O=C(COc1ccc([N+](=O)[O-])cc1)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000534555288 567814189 /nfs/dbraw/zinc/81/41/89/567814189.db2.gz FBZLBPNWPKUGRJ-UHFFFAOYSA-N -1 1 378.797 3.139 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1NC(C)=O ZINC000006328254 570389765 /nfs/dbraw/zinc/38/97/65/570389765.db2.gz HXQSTFBQLNBIEN-UHFFFAOYSA-N -1 1 399.812 3.016 20 5 GGBDMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000011443390 571046110 /nfs/dbraw/zinc/04/61/10/571046110.db2.gz SJIIALQUXGBVLK-VIFPVBQESA-N -1 1 396.856 3.403 20 5 GGBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736812960 598955684 /nfs/dbraw/zinc/95/56/84/598955684.db2.gz IQCXLRMVWDAWBT-UHFFFAOYSA-N -1 1 396.798 3.008 20 5 GGBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736812960 598955685 /nfs/dbraw/zinc/95/56/85/598955685.db2.gz IQCXLRMVWDAWBT-UHFFFAOYSA-N -1 1 396.798 3.008 20 5 GGBDMM O=C([O-])C=Cc1ccc(NCc2n[nH]c(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1 ZINC000739622230 599894259 /nfs/dbraw/zinc/89/42/59/599894259.db2.gz ABGONVFTNQZDGC-KRXBUXKQSA-N -1 1 383.339 3.229 20 5 GGBDMM O=C([O-])C=Cc1ccc(NCc2nc(-c3ccc(F)cc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000739622230 599894261 /nfs/dbraw/zinc/89/42/61/599894261.db2.gz ABGONVFTNQZDGC-KRXBUXKQSA-N -1 1 383.339 3.229 20 5 GGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000738480138 599927504 /nfs/dbraw/zinc/92/75/04/599927504.db2.gz YOLSXXCGIXDRHQ-UHFFFAOYSA-N -1 1 396.446 3.022 20 5 GGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000738399606 600245546 /nfs/dbraw/zinc/24/55/46/600245546.db2.gz PXOIBQQSVMUUOW-UHFFFAOYSA-N -1 1 376.799 3.117 20 5 GGBDMM C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000736652236 600428311 /nfs/dbraw/zinc/42/83/11/600428311.db2.gz BOOKOBIDNCNVQI-QMMMGPOBSA-N -1 1 388.767 3.314 20 5 GGBDMM CCN1CCC[C@H](Nc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737114136 600432449 /nfs/dbraw/zinc/43/24/49/600432449.db2.gz GXAXSLWGEBNJER-HNNXBMFYSA-N -1 1 397.431 3.420 20 5 GGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000737268325 600637779 /nfs/dbraw/zinc/63/77/79/600637779.db2.gz XSBZYUVKZDVOCJ-UHFFFAOYSA-N -1 1 384.797 3.310 20 5 GGBDMM O=C([O-])C=Cc1ccc(Nc2cccc(N3CCC[NH+]=C3[O-])c2)c([N+](=O)[O-])c1 ZINC000833197186 600823796 /nfs/dbraw/zinc/82/37/96/600823796.db2.gz LWVMNQFPWANKPS-SOFGYWHQSA-N -1 1 382.376 3.356 20 5 GGBDMM O=C([O-])c1cc([N+](=O)[O-])c(N2CCN(CCc3ccccc3)CC2)cc1Cl ZINC000740094810 600943071 /nfs/dbraw/zinc/94/30/71/600943071.db2.gz HXGIGBJUUGLPDZ-UHFFFAOYSA-N -1 1 389.839 3.311 20 5 GGBDMM O=C([O-])c1cc(NC(=O)c2ccc(Nc3ccncc3)cc2)cc([N+](=O)[O-])c1 ZINC000833301310 600961513 /nfs/dbraw/zinc/96/15/13/600961513.db2.gz WUFQSYFFWVJOFZ-UHFFFAOYSA-N -1 1 378.344 3.106 20 5 GGBDMM CC[C@@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc([N+](=O)[O-])c1 ZINC000828983018 601380541 /nfs/dbraw/zinc/38/05/41/601380541.db2.gz MSFQPSWRGBMGCB-CABCVRRESA-N -1 1 389.433 3.201 20 5 GGBDMM CCN1C[C@H](Nc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000829754804 601564994 /nfs/dbraw/zinc/56/49/94/601564994.db2.gz YEHMZCAGCSKKJO-UGSOOPFHSA-N -1 1 397.431 3.276 20 5 GGBDMM CCN1C[C@@H](C)[C@H](Nc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829754796 601565057 /nfs/dbraw/zinc/56/50/57/601565057.db2.gz YEHMZCAGCSKKJO-FZKQIMNGSA-N -1 1 397.431 3.276 20 5 GGBDMM O=C([O-])C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000557984190 601732730 /nfs/dbraw/zinc/73/27/30/601732730.db2.gz BWLRHLNIRGBLDR-AWEZNQCLSA-N -1 1 388.767 3.070 20 5 GGBDMM Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)cc1[N+](=O)[O-] ZINC000753081472 601782464 /nfs/dbraw/zinc/78/24/64/601782464.db2.gz SDYWTIUTOPXOJV-UHFFFAOYSA-N -1 1 384.797 3.364 20 5 GGBDMM Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)ccc1C(=O)[O-] ZINC000753077298 601782555 /nfs/dbraw/zinc/78/25/55/601782555.db2.gz GNTJCEDXSPCYNV-UHFFFAOYSA-N -1 1 384.797 3.364 20 5 GGBDMM Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000832885549 601782822 /nfs/dbraw/zinc/78/28/22/601782822.db2.gz CWBJXXDXWBUHAD-UHFFFAOYSA-N -1 1 398.824 3.375 20 5 GGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccsc1C(=O)[O-] ZINC000832885522 602316111 /nfs/dbraw/zinc/31/61/11/602316111.db2.gz CBXKBKRHTMYGCK-UHFFFAOYSA-N -1 1 376.799 3.117 20 5 GGBDMM Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1[N+](=O)[O-] ZINC000754758424 602322713 /nfs/dbraw/zinc/32/27/13/602322713.db2.gz FAEATRFCMFIINF-UHFFFAOYSA-N -1 1 388.760 3.195 20 5 GGBDMM CC(C)(C(=O)[O-])[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000826105783 604373387 /nfs/dbraw/zinc/37/33/87/604373387.db2.gz IYMRLTISOQFPDZ-MRXNPFEDSA-N -1 1 382.376 3.053 20 5 GGBDMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000833419880 605042697 /nfs/dbraw/zinc/04/26/97/605042697.db2.gz XSTGFPXUNNJTDO-GFCCVEGCSA-N -1 1 380.832 3.378 20 5 GGBDMM CC(C)Nc1cccc(F)c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000833504045 605118835 /nfs/dbraw/zinc/11/88/35/605118835.db2.gz CYRMXFLGPOGOAX-UHFFFAOYSA-N -1 1 397.384 3.053 20 5 GGBDMM CC(C)OCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000833505449 605327611 /nfs/dbraw/zinc/32/76/11/605327611.db2.gz KJPVLQWIEKRFQS-UHFFFAOYSA-N -1 1 394.405 3.019 20 5 GGBDMM CCCCOc1ccc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821077814 606699042 /nfs/dbraw/zinc/69/90/42/606699042.db2.gz UWZMWOPBJNOBCH-UHFFFAOYSA-N -1 1 383.412 3.003 20 5 GGBDMM CCCCOc1ccc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821077814 606699044 /nfs/dbraw/zinc/69/90/44/606699044.db2.gz UWZMWOPBJNOBCH-UHFFFAOYSA-N -1 1 383.412 3.003 20 5 GGBDMM Cc1[nH]c2c(cc(C)cc2CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1C ZINC000822200907 606703376 /nfs/dbraw/zinc/70/33/76/606703376.db2.gz IEEHQVNNONVCID-UHFFFAOYSA-N -1 1 378.396 3.189 20 5 GGBDMM Cc1[nH]c2c(cc(C)cc2CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1C ZINC000822200907 606703377 /nfs/dbraw/zinc/70/33/77/606703377.db2.gz IEEHQVNNONVCID-UHFFFAOYSA-N -1 1 378.396 3.189 20 5 GGBDMM CCCCSc1nnc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])s1 ZINC000821077654 607162343 /nfs/dbraw/zinc/16/23/43/607162343.db2.gz PATPRKIICXTDIS-UHFFFAOYSA-N -1 1 396.483 3.065 20 5 GGBDMM CCCCSc1nnc(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])s1 ZINC000821077654 607162345 /nfs/dbraw/zinc/16/23/45/607162345.db2.gz PATPRKIICXTDIS-UHFFFAOYSA-N -1 1 396.483 3.065 20 5 GGBDMM CN(C)c1cccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC000825880046 607841652 /nfs/dbraw/zinc/84/16/52/607841652.db2.gz VTPYGQRTXDBNNH-KRWDZBQOSA-N -1 1 379.424 3.182 20 5 GGBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1cccc(-n2cccn2)c1 ZINC000824650606 607842677 /nfs/dbraw/zinc/84/26/77/607842677.db2.gz SSWKFQJWTWPZBD-LBPRGKRZSA-N -1 1 376.380 3.134 20 5 GGBDMM CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000824262046 608568303 /nfs/dbraw/zinc/56/83/03/608568303.db2.gz VAGMMTSNYDZUBB-UHFFFAOYSA-N -1 1 382.424 3.139 20 5 GGBDMM CCOC(=O)c1cc(C(=O)[N-]c2nnc(-c3ccco3)s2)cc([N+](=O)[O-])c1 ZINC000053209578 1406325642 /nfs/dbraw/zinc/32/56/42/1406325642.db2.gz MYLIILMMAZHYJH-UHFFFAOYSA-N -1 1 388.361 3.135 20 5 GGBDMM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000054830175 1406833096 /nfs/dbraw/zinc/83/30/96/1406833096.db2.gz CIKYNKFJCUMBFG-UHFFFAOYSA-N -1 1 397.840 3.107 20 5 GGBDMM CNc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1[N+](=O)[O-] ZINC000055315189 1406927001 /nfs/dbraw/zinc/92/70/01/1406927001.db2.gz VDDVYHVJMSWYAO-UHFFFAOYSA-N -1 1 383.404 3.077 20 5 GGBDMM O=C(c1ccc2ccccc2c1[O-])N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005741267 1398472838 /nfs/dbraw/zinc/47/28/38/1398472838.db2.gz UJHRMYVEYSQZCO-UHFFFAOYSA-N -1 1 377.400 3.416 20 5 GGBDMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc([N+](=O)[O-])cc1Cl ZINC000011028843 1398945949 /nfs/dbraw/zinc/94/59/49/1398945949.db2.gz LTOVTZDBPFVXRU-UHFFFAOYSA-N -1 1 375.720 3.417 20 5 GGBDMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000011443227 1398980951 /nfs/dbraw/zinc/98/09/51/1398980951.db2.gz PQAPPMBUZQWLAR-SECBINFHSA-N -1 1 396.856 3.403 20 5 GGBDMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000011443724 1398981303 /nfs/dbraw/zinc/98/13/03/1398981303.db2.gz QFYPYHZHIRXQRE-UHFFFAOYSA-N -1 1 382.829 3.427 20 5 GGBDMM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000013278972 1399077555 /nfs/dbraw/zinc/07/75/55/1399077555.db2.gz VMRVGWBYXRLOPL-UHFFFAOYSA-N -1 1 396.446 3.433 20 5 GGBDMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000055594971 1407018407 /nfs/dbraw/zinc/01/84/07/1407018407.db2.gz WBRNAHUKIZZSCO-UHFFFAOYSA-N -1 1 377.422 3.361 20 5 GGBDMM O=C([N-]c1nnc(-c2ccccc2)s1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000018703328 1399319279 /nfs/dbraw/zinc/31/92/79/1399319279.db2.gz XOFWOKNBIMHNLB-UHFFFAOYSA-N -1 1 384.373 3.137 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCCC3=O)c2)cc1[N+](=O)[O-] ZINC000024956771 1399701960 /nfs/dbraw/zinc/70/19/60/1399701960.db2.gz OVUCVVCWJOIGDJ-UHFFFAOYSA-N -1 1 389.433 3.221 20 5 GGBDMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000055674143 1407050938 /nfs/dbraw/zinc/05/09/38/1407050938.db2.gz WTHLZUMLKFCFIL-UHFFFAOYSA-N -1 1 377.422 3.279 20 5 GGBDMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000025741175 1399833279 /nfs/dbraw/zinc/83/32/79/1399833279.db2.gz VYAQBJGWBKRGHG-UHFFFAOYSA-N -1 1 377.422 3.380 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)cc1[N+](=O)[O-] ZINC000028251261 1400143461 /nfs/dbraw/zinc/14/34/61/1400143461.db2.gz XGEQDRUNJOMSTG-UHFFFAOYSA-N -1 1 375.406 3.053 20 5 GGBDMM CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000028781861 1400195554 /nfs/dbraw/zinc/19/55/54/1400195554.db2.gz MQGHWSNLKHHDDO-YRNVUSSQSA-N -1 1 390.417 3.280 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)cc1[N+](=O)[O-] ZINC000029433208 1400297804 /nfs/dbraw/zinc/29/78/04/1400297804.db2.gz ZZOCBVBQKBRQTQ-UHFFFAOYSA-N -1 1 389.389 3.368 20 5 GGBDMM O=C(NCc1ccccc1[N+](=O)[O-])N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000045622404 1404164750 /nfs/dbraw/zinc/16/47/50/1404164750.db2.gz PPUFCKYWAPYLJG-UHFFFAOYSA-N -1 1 383.404 3.105 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCCc3cccc(F)c3F)cc(-c3nnn[n-]3)c2c1 ZINC000823645578 1425989922 /nfs/dbraw/zinc/98/99/22/1425989922.db2.gz UEXLVUBMFSALAI-UHFFFAOYSA-N -1 1 397.345 3.256 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccc(F)c(F)c1F ZINC000826450757 1426513221 /nfs/dbraw/zinc/51/32/21/1426513221.db2.gz CKQKAXSCZYBXST-UHFFFAOYSA-N -1 1 398.688 3.098 20 5 GGBDMM O=[N+]([O-])c1ccc(Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)cn1 ZINC000738366065 1426632195 /nfs/dbraw/zinc/63/21/95/1426632195.db2.gz AXODAQIJPIQCHE-UHFFFAOYSA-N -1 1 389.375 3.493 20 5 GGBDMM Cc1ccc(C)c([C@@H]2CN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])[C@@H](C)CO2)c1 ZINC000822232193 1426770778 /nfs/dbraw/zinc/77/07/78/1426770778.db2.gz WLWUUWPDVUWXRM-LIRRHRJNSA-N -1 1 394.435 3.358 20 5 GGBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050603397 1405611327 /nfs/dbraw/zinc/61/13/27/1405611327.db2.gz CLJBNNAYUBZMTN-UHFFFAOYSA-N -1 1 384.299 3.108 20 5 GGBDMM Cc1cc(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])no1 ZINC000063248392 1408322973 /nfs/dbraw/zinc/32/29/73/1408322973.db2.gz JNZBXOMEMDKJEH-UHFFFAOYSA-N -1 1 388.405 3.304 20 5 GGBDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000176411555 1428309209 /nfs/dbraw/zinc/30/92/09/1428309209.db2.gz ZDBILJOGUNDFAQ-UHFFFAOYSA-N -1 1 386.452 3.037 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(NC(C)=O)c2)cc1[N+](=O)[O-] ZINC000063444081 1408355624 /nfs/dbraw/zinc/35/56/24/1408355624.db2.gz WZODRVOYXMBFJB-UHFFFAOYSA-N -1 1 399.812 3.016 20 5 GGBDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000064467909 1408560516 /nfs/dbraw/zinc/56/05/16/1408560516.db2.gz UEJHXLFSYSQGGH-UHFFFAOYSA-N -1 1 383.813 3.398 20 5 GGBDMM Cc1csc(CCCC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000066106230 1408782022 /nfs/dbraw/zinc/78/20/22/1408782022.db2.gz SAIVQCFIRGNHNH-UHFFFAOYSA-N -1 1 389.886 3.314 20 5 GGBDMM CCC(CC)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)s1 ZINC000066270471 1408800592 /nfs/dbraw/zinc/80/05/92/1408800592.db2.gz QOCKUBAXNUCNME-UHFFFAOYSA-N -1 1 378.410 3.373 20 5 GGBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067078809 1409003554 /nfs/dbraw/zinc/00/35/54/1409003554.db2.gz SKZZWVYLMHLGSB-JTQLQIEISA-N -1 1 393.494 3.023 20 5 GGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)C2CC2)cc1 ZINC000067116730 1409012642 /nfs/dbraw/zinc/01/26/42/1409012642.db2.gz AAZYWXJAYZHIIR-UHFFFAOYSA-N -1 1 389.433 3.307 20 5 GGBDMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000067124435 1409014421 /nfs/dbraw/zinc/01/44/21/1409014421.db2.gz QZUCIFQBSWSJEH-UHFFFAOYSA-N -1 1 392.437 3.154 20 5 GGBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(C(C)(C)C)ns2)cc1OC ZINC000068073364 1409291061 /nfs/dbraw/zinc/29/10/61/1409291061.db2.gz LJRJJACIBGOADJ-UHFFFAOYSA-N -1 1 380.426 3.403 20 5 GGBDMM CC(C)n1c(C2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)n[n-]c1=S ZINC000068446596 1409404350 /nfs/dbraw/zinc/40/43/50/1409404350.db2.gz LJCAIMUHDHFPGC-UHFFFAOYSA-N -1 1 389.481 3.378 20 5 GGBDMM CCn1c(C2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)n[n-]c1=S ZINC000068452914 1409407542 /nfs/dbraw/zinc/40/75/42/1409407542.db2.gz QBSLRPYEGYSIPR-UHFFFAOYSA-N -1 1 375.454 3.197 20 5 GGBDMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000176678388 1428402005 /nfs/dbraw/zinc/40/20/05/1428402005.db2.gz BMQTXKJUPFAUMO-UHFFFAOYSA-N -1 1 386.227 3.049 20 5 GGBDMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)c([N+](=O)[O-])c3)cc2)co1 ZINC000078873616 1409939575 /nfs/dbraw/zinc/93/95/75/1409939575.db2.gz CDZQIXPNDSDBSF-UHFFFAOYSA-N -1 1 377.353 3.498 20 5 GGBDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])c(C)c3)cc2C[C@@H]1C ZINC000093930773 1410287262 /nfs/dbraw/zinc/28/72/62/1410287262.db2.gz WHKLFSUZNNCNJC-LBPRGKRZSA-N -1 1 389.433 3.002 20 5 GGBDMM CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000101675655 1410489526 /nfs/dbraw/zinc/48/95/26/1410489526.db2.gz QMCNIVYQBLJFQQ-UHFFFAOYSA-N -1 1 382.376 3.055 20 5 GGBDMM Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000102470907 1410635540 /nfs/dbraw/zinc/63/55/40/1410635540.db2.gz FQTCGIZTQAFPJT-UHFFFAOYSA-N -1 1 387.461 3.410 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cc(-c2ccccc2)on1 ZINC000102660285 1410692205 /nfs/dbraw/zinc/69/22/05/1410692205.db2.gz VECXUROJQSRFBV-UHFFFAOYSA-N -1 1 393.808 3.382 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cc(-c2ccccc2)on1 ZINC000102660294 1410692481 /nfs/dbraw/zinc/69/24/81/1410692481.db2.gz YQDDXGCOMUYTQG-UHFFFAOYSA-N -1 1 393.808 3.382 20 5 GGBDMM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cc(-c2ccccc2F)on1 ZINC000103201878 1410836952 /nfs/dbraw/zinc/83/69/52/1410836952.db2.gz UTQLECVJCFYBAJ-UHFFFAOYSA-N -1 1 394.322 3.426 20 5 GGBDMM CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1 ZINC000104755851 1410955697 /nfs/dbraw/zinc/95/56/97/1410955697.db2.gz ZGGYGIGUNQKHMX-UHFFFAOYSA-N -1 1 387.458 3.009 20 5 GGBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)c1 ZINC000106703401 1411280951 /nfs/dbraw/zinc/28/09/51/1411280951.db2.gz JCXBKXARCDBFLS-UHFFFAOYSA-N -1 1 388.380 3.437 20 5 GGBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(Cc2ccc(F)cc2)s1 ZINC000106703551 1411281568 /nfs/dbraw/zinc/28/15/68/1411281568.db2.gz KVCDFJRXJNUMSA-UHFFFAOYSA-N -1 1 388.380 3.437 20 5 GGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C(=O)NC(C)C ZINC000108762437 1411602666 /nfs/dbraw/zinc/60/26/66/1411602666.db2.gz JLURKLSJRNWKDM-UHFFFAOYSA-N -1 1 391.449 3.151 20 5 GGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)c(F)c1 ZINC000110122275 1411832494 /nfs/dbraw/zinc/83/24/94/1411832494.db2.gz QBTCQANSKWNKPO-UHFFFAOYSA-N -1 1 376.369 3.029 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(OC2CCCC2)cc1 ZINC000823625192 1428609920 /nfs/dbraw/zinc/60/99/20/1428609920.db2.gz SOWABOWZWJOTIU-UHFFFAOYSA-N -1 1 381.396 3.103 20 5 GGBDMM CC1(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCCC1 ZINC000111618017 1412003324 /nfs/dbraw/zinc/00/33/24/1412003324.db2.gz VPQUJOJGBAORFB-UHFFFAOYSA-N -1 1 377.260 3.216 20 5 GGBDMM CCS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC000112002941 1412066430 /nfs/dbraw/zinc/06/64/30/1412066430.db2.gz KZGLIPZZFFKXJV-UHFFFAOYSA-N -1 1 388.323 3.058 20 5 GGBDMM CN(Cc1ccccc1-c1ccccc1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736827931 1428622534 /nfs/dbraw/zinc/62/25/34/1428622534.db2.gz JQXBLAPDALBHGD-UHFFFAOYSA-N -1 1 387.403 3.473 20 5 GGBDMM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000115928528 1412816609 /nfs/dbraw/zinc/81/66/09/1412816609.db2.gz IAPPGQZNMFUSEV-VHSXEESVSA-N -1 1 379.276 3.460 20 5 GGBDMM COc1ccc([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)c([N+](=O)[O-])c1 ZINC000119373652 1413428080 /nfs/dbraw/zinc/42/80/80/1413428080.db2.gz OLJOSCDUSPQRFR-UHFFFAOYSA-N -1 1 381.344 3.446 20 5 GGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000119534360 1413478280 /nfs/dbraw/zinc/47/82/80/1413478280.db2.gz AKNXAAALMBYBHF-AWEZNQCLSA-N -1 1 390.339 3.185 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCC3Cc4ccccc4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645995 1428730867 /nfs/dbraw/zinc/73/08/67/1428730867.db2.gz ZEGQAFBASPGMQG-UHFFFAOYSA-N -1 1 387.403 3.150 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCN(c2ccccc2)C1 ZINC000119582569 1413493278 /nfs/dbraw/zinc/49/32/78/1413493278.db2.gz GNXCMNQMZCWJQB-ZDUSSCGKSA-N -1 1 395.868 3.053 20 5 GGBDMM CC[C@H](C)C(=O)Nc1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000119598187 1413498632 /nfs/dbraw/zinc/49/86/32/1413498632.db2.gz ASGPVAQDRSKBHC-NSHDSACASA-N -1 1 397.478 3.119 20 5 GGBDMM COc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000119694825 1413534838 /nfs/dbraw/zinc/53/48/38/1413534838.db2.gz JURMAUGNSBRESM-UHFFFAOYSA-N -1 1 396.368 3.162 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cs1 ZINC000120214421 1413734306 /nfs/dbraw/zinc/73/43/06/1413734306.db2.gz FGKLWPLZBGONFN-ZDUSSCGKSA-N -1 1 394.434 3.185 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cs1 ZINC000120248783 1413751481 /nfs/dbraw/zinc/75/14/81/1413751481.db2.gz QTHGTKNFMDQNMU-UHFFFAOYSA-N -1 1 381.204 3.359 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)ccc1Cl ZINC000121079675 1414000173 /nfs/dbraw/zinc/00/01/73/1414000173.db2.gz JHVBPHQNKHFQNA-UHFFFAOYSA-N -1 1 378.797 3.439 20 5 GGBDMM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nc(Br)ccc1[O-] ZINC000121532530 1414165353 /nfs/dbraw/zinc/16/53/53/1414165353.db2.gz JCNSKTLSIRRJGE-UHFFFAOYSA-N -1 1 391.181 3.120 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000121948880 1414319381 /nfs/dbraw/zinc/31/93/81/1414319381.db2.gz BBKWQHSDZXDKDB-UHFFFAOYSA-N -1 1 397.431 3.142 20 5 GGBDMM COc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C)c2)ccc1[N+](=O)[O-] ZINC000177616639 1428811763 /nfs/dbraw/zinc/81/17/63/1428811763.db2.gz QAKUWMYVZMXOEB-UHFFFAOYSA-N -1 1 391.449 3.313 20 5 GGBDMM C[C@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000122677896 1414536549 /nfs/dbraw/zinc/53/65/49/1414536549.db2.gz AQRNZAONMNUYMT-ABAIWWIYSA-N -1 1 384.841 3.039 20 5 GGBDMM C[C@@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000122777362 1414561895 /nfs/dbraw/zinc/56/18/95/1414561895.db2.gz LAEAAWQKDRSQFT-XHDPSFHLSA-N -1 1 384.841 3.039 20 5 GGBDMM Cc1nn(C)c(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000826334383 1428825786 /nfs/dbraw/zinc/82/57/86/1428825786.db2.gz SGYIMJBHMNKFQG-UHFFFAOYSA-N -1 1 390.407 3.096 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2F)CC1 ZINC000123192049 1414664784 /nfs/dbraw/zinc/66/47/84/1414664784.db2.gz YLMSUMUWVDYAQK-UHFFFAOYSA-N -1 1 386.351 3.022 20 5 GGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737265603 1428849411 /nfs/dbraw/zinc/84/94/11/1428849411.db2.gz XJZGHYJPTKBOLA-UHFFFAOYSA-N -1 1 383.755 3.472 20 5 GGBDMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000125447699 1415201698 /nfs/dbraw/zinc/20/16/98/1415201698.db2.gz QTXVMYQGGCUAGU-HNNXBMFYSA-N -1 1 378.388 3.175 20 5 GGBDMM CN(Cc1ccccc1Br)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821614606 1428875382 /nfs/dbraw/zinc/87/53/82/1428875382.db2.gz NEGPONREEPMOTE-UHFFFAOYSA-N -1 1 389.213 3.174 20 5 GGBDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C)c([N+](=O)[O-])c3)cc2C[C@H]1C ZINC000125921486 1415313619 /nfs/dbraw/zinc/31/36/19/1415313619.db2.gz DNWYAQYUBWVYNP-GFCCVEGCSA-N -1 1 389.433 3.002 20 5 GGBDMM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1c(F)cccc1[N+](=O)[O-] ZINC000737025772 1428951493 /nfs/dbraw/zinc/95/14/93/1428951493.db2.gz MSJOGPKLIXWFAF-UHFFFAOYSA-N -1 1 379.735 3.155 20 5 GGBDMM CCCNc1ccc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000821118503 1428957641 /nfs/dbraw/zinc/95/76/41/1428957641.db2.gz NYJKBHVXTOKLBF-YHYXMXQVSA-N -1 1 393.407 3.249 20 5 GGBDMM CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825826102 1428982255 /nfs/dbraw/zinc/98/22/55/1428982255.db2.gz WNECOODZDXSFTN-UHFFFAOYSA-N -1 1 380.389 3.266 20 5 GGBDMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3C)cc2F)c1 ZINC000127955991 1415882861 /nfs/dbraw/zinc/88/28/61/1415882861.db2.gz BZUIZERPJCLTNP-UHFFFAOYSA-N -1 1 390.396 3.337 20 5 GGBDMM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000738174403 1429014046 /nfs/dbraw/zinc/01/40/46/1429014046.db2.gz YWZOVXPZHBYWTE-UHFFFAOYSA-N -1 1 392.331 3.413 20 5 GGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000128047553 1415900552 /nfs/dbraw/zinc/90/05/52/1415900552.db2.gz QDZQYFWJSYDXCN-LLVKDONJSA-N -1 1 388.449 3.051 20 5 GGBDMM Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000128660621 1416035981 /nfs/dbraw/zinc/03/59/81/1416035981.db2.gz FCTFRVIABUQEKV-UHFFFAOYSA-N -1 1 387.461 3.410 20 5 GGBDMM C[C@H](O)C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000128908591 1416098687 /nfs/dbraw/zinc/09/86/87/1416098687.db2.gz FIKMMIMDFPYUNY-JSGCOSHPSA-N -1 1 398.868 3.081 20 5 GGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(-c2nccn2C)c1 ZINC000178419981 1429073644 /nfs/dbraw/zinc/07/36/44/1429073644.db2.gz XWXCMTMWOPYNQV-UHFFFAOYSA-N -1 1 386.433 3.413 20 5 GGBDMM Cc1cccc([C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccn2)c1 ZINC000129788705 1416264027 /nfs/dbraw/zinc/26/40/27/1416264027.db2.gz CSGWPCIBROPQAE-IBGZPJMESA-N -1 1 383.429 3.366 20 5 GGBDMM Cc1ccc(C)c([C@H]2CN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])[C@H](C)CO2)c1 ZINC000822232190 1429083886 /nfs/dbraw/zinc/08/38/86/1429083886.db2.gz WLWUUWPDVUWXRM-AUUYWEPGSA-N -1 1 394.435 3.358 20 5 GGBDMM Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130464918 1416382290 /nfs/dbraw/zinc/38/22/90/1416382290.db2.gz AEEMNZJXQPKSJW-UHFFFAOYSA-N -1 1 387.461 3.410 20 5 GGBDMM CNC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c1C ZINC000130530737 1416394802 /nfs/dbraw/zinc/39/48/02/1416394802.db2.gz BENARLYXIONHDQ-UHFFFAOYSA-N -1 1 397.840 3.025 20 5 GGBDMM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826452773 1429098698 /nfs/dbraw/zinc/09/86/98/1429098698.db2.gz HXUZQCMZUSQTGU-UHFFFAOYSA-N -1 1 379.163 3.334 20 5 GGBDMM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]Nc1c(Cl)cc(F)cc1Cl ZINC000131584927 1416580057 /nfs/dbraw/zinc/58/00/57/1416580057.db2.gz ZEPDUHZPOUZBGS-UHFFFAOYSA-N -1 1 398.174 3.485 20 5 GGBDMM O=C(C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000826405177 1429119132 /nfs/dbraw/zinc/11/91/32/1429119132.db2.gz XJMWWALPPAXXLV-CQSZACIVSA-N -1 1 378.392 3.017 20 5 GGBDMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC000132318706 1416735148 /nfs/dbraw/zinc/73/51/48/1416735148.db2.gz IKKYTDQMGIFYFW-UHFFFAOYSA-N -1 1 381.385 3.110 20 5 GGBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)c2C)o1 ZINC000132645636 1416798961 /nfs/dbraw/zinc/79/89/61/1416798961.db2.gz CGHVYDHHZWBILC-UHFFFAOYSA-N -1 1 394.384 3.443 20 5 GGBDMM CO[C@@H]1CCC[C@H]1Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000132655700 1416800398 /nfs/dbraw/zinc/80/03/98/1416800398.db2.gz MDLANSRFYYZSSS-SJLPKXTDSA-N -1 1 391.449 3.375 20 5 GGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000134057056 1417015767 /nfs/dbraw/zinc/01/57/67/1417015767.db2.gz OABZEJJZDSNEGV-UHFFFAOYSA-N -1 1 394.792 3.464 20 5 GGBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])c2C)o1 ZINC000135404303 1417215226 /nfs/dbraw/zinc/21/52/26/1417215226.db2.gz KXABVZXEAKNEKP-UHFFFAOYSA-N -1 1 380.357 3.135 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c(F)c1 ZINC000135518434 1417232271 /nfs/dbraw/zinc/23/22/71/1417232271.db2.gz ONTWPHSIGDCZEA-UHFFFAOYSA-N -1 1 386.311 3.349 20 5 GGBDMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3C)cc21 ZINC000135677538 1417256893 /nfs/dbraw/zinc/25/68/93/1417256893.db2.gz MAVNDZXQPZHRNR-UHFFFAOYSA-N -1 1 389.433 3.003 20 5 GGBDMM CCc1oc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1C ZINC000825776848 1429171425 /nfs/dbraw/zinc/17/14/25/1429171425.db2.gz LUONWFGMTUPPGV-UHFFFAOYSA-N -1 1 376.760 3.144 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1cccc2cccnc21 ZINC000146649307 1417726684 /nfs/dbraw/zinc/72/66/84/1417726684.db2.gz CAPOWTKSHHCBCI-UHFFFAOYSA-N -1 1 391.836 3.317 20 5 GGBDMM O=C(C[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccs1 ZINC000826404460 1429209422 /nfs/dbraw/zinc/20/94/22/1429209422.db2.gz BPHYGFINDIXCNR-LBPRGKRZSA-N -1 1 384.421 3.078 20 5 GGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000150970286 1417845883 /nfs/dbraw/zinc/84/58/83/1417845883.db2.gz RDDDHSLAFIDXHA-UHFFFAOYSA-N -1 1 395.400 3.334 20 5 GGBDMM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000178922037 1429220814 /nfs/dbraw/zinc/22/08/14/1429220814.db2.gz UEALWGJGUBYTPW-NSHDSACASA-N -1 1 382.825 3.188 20 5 GGBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ncc(-c2ccccc2)o1 ZINC000151570989 1418027851 /nfs/dbraw/zinc/02/78/51/1418027851.db2.gz MHMXARYFZFIXRJ-NSHDSACASA-N -1 1 391.380 3.428 20 5 GGBDMM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826421709 1429311163 /nfs/dbraw/zinc/31/11/63/1429311163.db2.gz VRXHDQXGSUSXPF-UHFFFAOYSA-N -1 1 397.782 3.091 20 5 GGBDMM O=[N+]([O-])c1ccc(OCc2cccc(-c3nnn[n-]3)c2F)c(Br)c1 ZINC000826499201 1429335586 /nfs/dbraw/zinc/33/55/86/1429335586.db2.gz ZMUJURMJBKCYLF-UHFFFAOYSA-N -1 1 394.160 3.256 20 5 GGBDMM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc2c(c1)OCCO2 ZINC000820926164 1429379830 /nfs/dbraw/zinc/37/98/30/1429379830.db2.gz PUTGVJYAIYSGII-AWEZNQCLSA-N -1 1 382.380 3.109 20 5 GGBDMM Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179466966 1429385531 /nfs/dbraw/zinc/38/55/31/1429385531.db2.gz YTNBQWPTVXIZDZ-UHFFFAOYSA-N -1 1 387.461 3.410 20 5 GGBDMM O=[N+]([O-])c1cnc(Sc2cccc(Br)c2)c(-c2nnn[n-]2)c1 ZINC000738374628 1429493868 /nfs/dbraw/zinc/49/38/68/1429493868.db2.gz RCLOMMHBQBMVJT-UHFFFAOYSA-N -1 1 379.199 3.084 20 5 GGBDMM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1csc([N+](=O)[O-])c1 ZINC000823303527 1429523338 /nfs/dbraw/zinc/52/33/38/1429523338.db2.gz LPZNHGWEABDMAN-UHFFFAOYSA-N -1 1 384.299 3.108 20 5 GGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824332943 1429526747 /nfs/dbraw/zinc/52/67/47/1429526747.db2.gz BDTNGETTWNSYBZ-CYBMUJFWSA-N -1 1 382.424 3.413 20 5 GGBDMM C[C@]1(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCCO1 ZINC000152519786 1422129208 /nfs/dbraw/zinc/12/92/08/1422129208.db2.gz BBXBOJGAFNIWBV-GOSISDBHSA-N -1 1 391.449 3.377 20 5 GGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000153063611 1422343641 /nfs/dbraw/zinc/34/36/41/1422343641.db2.gz ZXGUTOILXUEOMD-UHFFFAOYSA-N -1 1 377.784 3.032 20 5 GGBDMM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000825694539 1429550508 /nfs/dbraw/zinc/55/05/08/1429550508.db2.gz SNXDJLIHAROZRM-UHFFFAOYSA-N -1 1 378.801 3.305 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)ccc1F ZINC000153190043 1422386366 /nfs/dbraw/zinc/38/63/66/1422386366.db2.gz RXILWTIDUJKLQZ-UHFFFAOYSA-N -1 1 376.369 3.233 20 5 GGBDMM CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000153190727 1422387392 /nfs/dbraw/zinc/38/73/92/1422387392.db2.gz PWQKMEQOPGUOGQ-UHFFFAOYSA-N -1 1 388.405 3.184 20 5 GGBDMM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc([N+](=O)[O-])ccc1Br ZINC000153845630 1422795637 /nfs/dbraw/zinc/79/56/37/1422795637.db2.gz GODPSXRRAXFEPG-UHFFFAOYSA-N -1 1 397.132 3.480 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)cc([N+](=O)[O-])c1F ZINC000154271339 1422864985 /nfs/dbraw/zinc/86/49/85/1422864985.db2.gz QRGINXXKSAMAEJ-UHFFFAOYSA-N -1 1 395.412 3.438 20 5 GGBDMM C[C@@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512332 1423261636 /nfs/dbraw/zinc/26/16/36/1423261636.db2.gz KHISEVHPKWLROC-LLVKDONJSA-N -1 1 394.391 3.267 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccc(Cl)c1F ZINC000826450722 1423384868 /nfs/dbraw/zinc/38/48/68/1423384868.db2.gz AIXMBMBCAAPUSC-UHFFFAOYSA-N -1 1 397.153 3.473 20 5 GGBDMM Cc1ccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1OCC(F)F ZINC000737362810 1423468129 /nfs/dbraw/zinc/46/81/29/1423468129.db2.gz XOLADGWATNKUQE-UHFFFAOYSA-N -1 1 376.323 3.471 20 5 GGBDMM CCOC(=O)c1cc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000821337506 1423535511 /nfs/dbraw/zinc/53/55/11/1423535511.db2.gz IFKLGHJUMAJQGM-NSHDSACASA-N -1 1 382.380 3.125 20 5 GGBDMM O=[N+]([O-])c1cnc(N2Cc3ccccc3[C@H](c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823650841 1423636642 /nfs/dbraw/zinc/63/66/42/1423636642.db2.gz CGSAHOMFARAKLV-IBGZPJMESA-N -1 1 399.414 3.322 20 5 GGBDMM CN(c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[C@H]1CCc2ccccc21 ZINC000821619336 1423655364 /nfs/dbraw/zinc/65/53/64/1423655364.db2.gz RLLSJDFRRVDJML-SFHVURJKSA-N -1 1 387.403 3.447 20 5 GGBDMM C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000736137159 1423682541 /nfs/dbraw/zinc/68/25/41/1423682541.db2.gz KOTAYZNYCAVZOP-MRVPVSSYSA-N -1 1 379.302 3.362 20 5 GGBDMM Cc1ccc(CN(C)c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000737340353 1429667920 /nfs/dbraw/zinc/66/79/20/1429667920.db2.gz FAEUXGAKYANIHU-UHFFFAOYSA-N -1 1 375.392 3.268 20 5 GGBDMM CCOc1cc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)ccc1[N+](=O)[O-] ZINC000825616115 1423744363 /nfs/dbraw/zinc/74/43/63/1423744363.db2.gz WZBATFCHJURQID-UHFFFAOYSA-N -1 1 392.419 3.467 20 5 GGBDMM O=[N+]([O-])c1cccc(Br)c1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000823646891 1423750811 /nfs/dbraw/zinc/75/08/11/1423750811.db2.gz CHEGEISPLSMTEK-UHFFFAOYSA-N -1 1 394.160 3.256 20 5 GGBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826263544 1423814379 /nfs/dbraw/zinc/81/43/79/1423814379.db2.gz GPSLVFYEDHOYOM-ZDUSSCGKSA-N -1 1 380.408 3.191 20 5 GGBDMM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)ccc21 ZINC000156532635 1423823959 /nfs/dbraw/zinc/82/39/59/1423823959.db2.gz RUXQLPRLPKYXJE-UHFFFAOYSA-N -1 1 389.433 3.003 20 5 GGBDMM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc21 ZINC000156535507 1423824236 /nfs/dbraw/zinc/82/42/36/1423824236.db2.gz RPWPWSCLXJSFQD-UHFFFAOYSA-N -1 1 389.433 3.003 20 5 GGBDMM CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000156845203 1423874066 /nfs/dbraw/zinc/87/40/66/1423874066.db2.gz DQRVCHDYWKXWHN-UHFFFAOYSA-N -1 1 397.840 3.191 20 5 GGBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)cc1C ZINC000156990214 1423897925 /nfs/dbraw/zinc/89/79/25/1423897925.db2.gz KKJUGOUCQAPRBQ-UHFFFAOYSA-N -1 1 393.396 3.036 20 5 GGBDMM CC(C)c1cccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)n1 ZINC000824347662 1423913342 /nfs/dbraw/zinc/91/33/42/1423913342.db2.gz JLHXFTMQYVUVCL-UHFFFAOYSA-N -1 1 387.787 3.199 20 5 GGBDMM CC(=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1C)c1ccc([N+](=O)[O-])cc1 ZINC000823943707 1423931113 /nfs/dbraw/zinc/93/11/13/1423931113.db2.gz RGBCKMAUSOXCBZ-JLHYYAGUSA-N -1 1 379.376 3.230 20 5 GGBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000157353781 1423992761 /nfs/dbraw/zinc/99/27/61/1423992761.db2.gz UJPQYGFJJSBDDB-UHFFFAOYSA-N -1 1 386.376 3.223 20 5 GGBDMM Cc1ccc([C@@H](C)OC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822230369 1424096523 /nfs/dbraw/zinc/09/65/23/1424096523.db2.gz DTCHYLHWSFAHKM-GFCCVEGCSA-N -1 1 399.432 3.480 20 5 GGBDMM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000823065808 1424223209 /nfs/dbraw/zinc/22/32/09/1424223209.db2.gz CASDTKPCCTUOGO-UHFFFAOYSA-N -1 1 390.812 3.159 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1([C@@H](O)c2ccccc2)CC1 ZINC000159288451 1424474444 /nfs/dbraw/zinc/47/44/44/1424474444.db2.gz VUTMGTDWIOTUBM-INIZCTEOSA-N -1 1 396.852 3.040 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000159796911 1424538495 /nfs/dbraw/zinc/53/84/95/1424538495.db2.gz OHFASVIQLNTJFO-CJNGLKHVSA-N -1 1 394.424 3.180 20 5 GGBDMM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000121082260 1424546370 /nfs/dbraw/zinc/54/63/70/1424546370.db2.gz QYFBFLYGWCBZLF-UHFFFAOYSA-N -1 1 393.407 3.018 20 5 GGBDMM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000735581413 1424594843 /nfs/dbraw/zinc/59/48/43/1424594843.db2.gz SMZXDVXLDNHJJB-UHFFFAOYSA-N -1 1 386.799 3.345 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826293743 1424613837 /nfs/dbraw/zinc/61/38/37/1424613837.db2.gz ZVASQXNOTAVQMY-AUUYWEPGSA-N -1 1 394.435 3.218 20 5 GGBDMM CC(C)c1cc([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[nH]n1 ZINC000160657442 1424623704 /nfs/dbraw/zinc/62/37/04/1424623704.db2.gz QACJDYSDKPNJMV-UHFFFAOYSA-N -1 1 389.231 3.005 20 5 GGBDMM Cc1c(NC(=O)[C@H](C)O[N-]C(=O)CCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000160774348 1424634305 /nfs/dbraw/zinc/63/43/05/1424634305.db2.gz HMYUKYYVEKUDOL-HNNXBMFYSA-N -1 1 385.420 3.301 20 5 GGBDMM O=C(Nc1nn[n-]n1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000135475492 1424651140 /nfs/dbraw/zinc/65/11/40/1424651140.db2.gz QNGSDQZLDBGXQW-UHFFFAOYSA-N -1 1 376.785 3.165 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N3CC[C@@H](c4ccccc4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645506 1424678283 /nfs/dbraw/zinc/67/82/83/1424678283.db2.gz RWDSBQIEUSSFAM-CQSZACIVSA-N -1 1 387.403 3.317 20 5 GGBDMM O=[N+]([O-])c1ccccc1CN(c1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC000826500045 1424783191 /nfs/dbraw/zinc/78/31/91/1424783191.db2.gz JEJYTMBHTFJKKB-UHFFFAOYSA-N -1 1 377.817 3.054 20 5 GGBDMM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000162019278 1424809185 /nfs/dbraw/zinc/80/91/85/1424809185.db2.gz QEFQCCCJTWHXMD-UHFFFAOYSA-N -1 1 397.840 3.025 20 5 GGBDMM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826453415 1424819224 /nfs/dbraw/zinc/81/92/24/1424819224.db2.gz JXRBIHFRNAVEEA-UHFFFAOYSA-N -1 1 379.163 3.334 20 5 GGBDMM O=C(Nc1nc(-c2cccc3ccccc32)n[nH]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000162143616 1424819507 /nfs/dbraw/zinc/81/95/07/1424819507.db2.gz DZIDIGQKRYGMCP-UHFFFAOYSA-N -1 1 375.344 3.491 20 5 GGBDMM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824148496 1424862347 /nfs/dbraw/zinc/86/23/47/1424862347.db2.gz WZSPDWSDARWYSP-UHFFFAOYSA-N -1 1 389.803 3.237 20 5 GGBDMM COc1ccc([N+](=O)[O-])c(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826212320 1424905852 /nfs/dbraw/zinc/90/58/52/1424905852.db2.gz NCRZVUXEFXWMPE-UHFFFAOYSA-N -1 1 378.392 3.077 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@H](C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000826293481 1424910354 /nfs/dbraw/zinc/91/03/54/1424910354.db2.gz QRGLIHIUYJUVIS-STQMWFEESA-N -1 1 397.391 3.155 20 5 GGBDMM Cc1nccn1-c1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000822477501 1424915909 /nfs/dbraw/zinc/91/59/09/1424915909.db2.gz MESQYFGKYMEPGM-GFCCVEGCSA-N -1 1 390.407 3.442 20 5 GGBDMM CC[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820914868 1424962087 /nfs/dbraw/zinc/96/20/87/1424962087.db2.gz QTPKLVXQMSYVFL-QXPKXGMISA-N -1 1 378.392 3.056 20 5 GGBDMM O=C(OCc1cn2ccccc2c1-c1nnn[n-]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826467686 1429764069 /nfs/dbraw/zinc/76/40/69/1429764069.db2.gz IGTANFAFVYFIIJ-UHFFFAOYSA-N -1 1 398.766 3.038 20 5 GGBDMM O=[N+]([O-])c1cc(NCc2ccc(OCC(F)(F)F)cc2)ccc1-c1nnn[n-]1 ZINC000823635325 1424982942 /nfs/dbraw/zinc/98/29/42/1424982942.db2.gz VUKGVFDTWKBFKI-UHFFFAOYSA-N -1 1 394.313 3.328 20 5 GGBDMM O=[N+]([O-])c1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)c(Br)c1 ZINC000823639969 1425056653 /nfs/dbraw/zinc/05/66/53/1425056653.db2.gz NUFHMMHXPGSECS-UHFFFAOYSA-N -1 1 393.176 3.289 20 5 GGBDMM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824705805 1425120897 /nfs/dbraw/zinc/12/08/97/1425120897.db2.gz FCZDCUZOXNLMKX-LBPRGKRZSA-N -1 1 397.391 3.237 20 5 GGBDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000165137151 1425166812 /nfs/dbraw/zinc/16/68/12/1425166812.db2.gz PGXSQVQBVMHYCL-UHFFFAOYSA-N -1 1 377.422 3.361 20 5 GGBDMM CC(C)(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])s2)c(-c2nnn[n-]2)s1 ZINC000824130871 1425269685 /nfs/dbraw/zinc/26/96/85/1425269685.db2.gz QLDIRWVZWPZYCE-UHFFFAOYSA-N -1 1 378.439 3.448 20 5 GGBDMM CC(=O)Nc1cccc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000170658855 1425280891 /nfs/dbraw/zinc/28/08/91/1425280891.db2.gz BMZIESBMOGBVQV-SNVBAGLBSA-N -1 1 397.840 3.246 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000171041263 1425451137 /nfs/dbraw/zinc/45/11/37/1425451137.db2.gz GZPYNAYANYCVFE-CVEARBPZSA-N -1 1 396.852 3.447 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000171041268 1425451293 /nfs/dbraw/zinc/45/12/93/1425451293.db2.gz GZPYNAYANYCVFE-HZPDHXFCSA-N -1 1 396.852 3.447 20 5 GGBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccc(Br)c1 ZINC000820461992 1425479169 /nfs/dbraw/zinc/47/91/69/1425479169.db2.gz UDLDGOSIRWCPPJ-MRVPVSSYSA-N -1 1 390.201 3.106 20 5 GGBDMM CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385508 1425490866 /nfs/dbraw/zinc/49/08/66/1425490866.db2.gz IIUBBEIJRYMWNO-UHFFFAOYSA-N -1 1 386.799 3.403 20 5 GGBDMM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2C1 ZINC000171346310 1425629973 /nfs/dbraw/zinc/62/99/73/1425629973.db2.gz WETIJGOXFSJLAH-UHFFFAOYSA-N -1 1 391.449 3.130 20 5 GGBDMM O=[N+]([O-])c1ccc(Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)nc1 ZINC000738368432 1425705977 /nfs/dbraw/zinc/70/59/77/1425705977.db2.gz DLOLSNGIOJJJIG-UHFFFAOYSA-N -1 1 389.375 3.493 20 5 GGBDMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000172040361 1425880485 /nfs/dbraw/zinc/88/04/85/1425880485.db2.gz AHVDMLZCGGWITK-UHFFFAOYSA-N -1 1 397.438 3.271 20 5 GGBDMM Cc1ccc(N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)cc1 ZINC000822242378 1425921456 /nfs/dbraw/zinc/92/14/56/1425921456.db2.gz JPZQXTUGOOYOSG-OAHLLOKOSA-N -1 1 379.424 3.164 20 5 GGBDMM CC1CCN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3CCC(C)CC3)c2)CC1 ZINC000736277888 1425949238 /nfs/dbraw/zinc/94/92/38/1425949238.db2.gz ZPRMDTPSXSOZSV-UHFFFAOYSA-N -1 1 385.472 3.248 20 5 GGBDMM C[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1nc(-c2ccccc2)no1 ZINC000824429497 1426151614 /nfs/dbraw/zinc/15/16/14/1426151614.db2.gz YHJVUTPLYPQSKR-LLVKDONJSA-N -1 1 392.379 3.041 20 5 GGBDMM Cn1c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2nc1C(C)(C)C ZINC000826355104 1426183867 /nfs/dbraw/zinc/18/38/67/1426183867.db2.gz KHJLLGGIUNFYFN-UHFFFAOYSA-N -1 1 393.411 3.098 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)ccc1[N+](=O)[O-] ZINC000172811942 1426199755 /nfs/dbraw/zinc/19/97/55/1426199755.db2.gz FVMCTHZNYBHSPL-UHFFFAOYSA-N -1 1 393.490 3.257 20 5 GGBDMM CCc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1[N+](=O)[O-] ZINC000821477092 1426226097 /nfs/dbraw/zinc/22/60/97/1426226097.db2.gz YCCOOCYPXZPDKY-UHFFFAOYSA-N -1 1 384.421 3.140 20 5 GGBDMM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000737521754 1426270492 /nfs/dbraw/zinc/27/04/92/1426270492.db2.gz BULUXBHYBMMADN-UHFFFAOYSA-N -1 1 396.798 3.044 20 5 GGBDMM O=[N+]([O-])c1cnc(Nc2cccc(Oc3ccccn3)c2)c(-c2nn[n-]n2)c1 ZINC000823652014 1426374928 /nfs/dbraw/zinc/37/49/28/1426374928.db2.gz WAUJHHKCTVTJLV-UHFFFAOYSA-N -1 1 376.336 3.101 20 5 GGBDMM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000823344613 1426486721 /nfs/dbraw/zinc/48/67/21/1426486721.db2.gz YYHMPLGSTIMUGF-UHFFFAOYSA-N -1 1 384.352 3.381 20 5 GGBDMM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCc1cccc([N+](=O)[O-])c1 ZINC000737840641 1426494941 /nfs/dbraw/zinc/49/49/41/1426494941.db2.gz BISCYGTWSDRQNB-UHFFFAOYSA-N -1 1 397.391 3.067 20 5 GGBDMM Cc1cc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)ccc1[N+](=O)[O-] ZINC000826271474 1426525272 /nfs/dbraw/zinc/52/52/72/1426525272.db2.gz SOUHGGOCUFSRKQ-UHFFFAOYSA-N -1 1 376.380 3.086 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000826497659 1426556428 /nfs/dbraw/zinc/55/64/28/1426556428.db2.gz OUXBQQZQJOVHQA-LBPRGKRZSA-N -1 1 386.799 3.086 20 5 GGBDMM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825972279 1426567115 /nfs/dbraw/zinc/56/71/15/1426567115.db2.gz ZAIFJNUVRZFHOO-UHFFFAOYSA-N -1 1 387.787 3.092 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823634465 1426567511 /nfs/dbraw/zinc/56/75/11/1426567511.db2.gz GJHUBRINTFKQLZ-UHFFFAOYSA-N -1 1 393.176 3.289 20 5 GGBDMM O=[N+]([O-])c1ccc(NCCOc2ccccc2C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000738370023 1426568239 /nfs/dbraw/zinc/56/82/39/1426568239.db2.gz MRBBEBAFOSNCRZ-UHFFFAOYSA-N -1 1 394.313 3.285 20 5 GGBDMM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000737524711 1426606799 /nfs/dbraw/zinc/60/67/99/1426606799.db2.gz QIAADUOLRQLYRG-UHFFFAOYSA-N -1 1 396.798 3.044 20 5 GGBDMM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000826324533 1426642816 /nfs/dbraw/zinc/64/28/16/1426642816.db2.gz VWRKZRJZTPDKTR-UHFFFAOYSA-N -1 1 377.817 3.127 20 5 GGBDMM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000737947055 1426653833 /nfs/dbraw/zinc/65/38/33/1426653833.db2.gz KSJSTXGSLRIOJJ-UHFFFAOYSA-N -1 1 390.812 3.159 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)cnc1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826497961 1426672054 /nfs/dbraw/zinc/67/20/54/1426672054.db2.gz AQBSCNVZYCIQLG-UHFFFAOYSA-N -1 1 383.799 3.117 20 5 GGBDMM Cc1ccc(-c2nc(CNc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)co2)cc1 ZINC000822213773 1426689790 /nfs/dbraw/zinc/68/97/90/1426689790.db2.gz AFBCERBROJTKDE-UHFFFAOYSA-N -1 1 377.364 3.350 20 5 GGBDMM Cc1nn(-c2ccccc2)c(COc2ccc([N+](=O)[O-])cc2C)c1-c1nnn[n-]1 ZINC000826272646 1426698473 /nfs/dbraw/zinc/69/84/73/1426698473.db2.gz UMHAENRTYIJIMA-UHFFFAOYSA-N -1 1 391.391 3.156 20 5 GGBDMM CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000173807288 1426856468 /nfs/dbraw/zinc/85/64/68/1426856468.db2.gz CRLLFMIRKFHCOZ-CQSZACIVSA-N -1 1 388.804 3.053 20 5 GGBDMM O=[N+]([O-])c1cnc(Nc2cccc(COCc3ccco3)c2)c(-c2nn[n-]n2)c1 ZINC000738374445 1426870646 /nfs/dbraw/zinc/87/06/46/1426870646.db2.gz ORXRWUBUMYHPQD-UHFFFAOYSA-N -1 1 393.363 3.223 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCCCOc3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000738367271 1426903389 /nfs/dbraw/zinc/90/33/89/1426903389.db2.gz OYXOKMGUDBORLI-UHFFFAOYSA-N -1 1 391.391 3.204 20 5 GGBDMM O=[N+]([O-])c1cnc(Nc2ccc3c(c2)ncn3-c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823651688 1426984777 /nfs/dbraw/zinc/98/47/77/1426984777.db2.gz NOALDZHYHUXFPO-UHFFFAOYSA-N -1 1 399.374 3.252 20 5 GGBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000820455683 1427292327 /nfs/dbraw/zinc/29/23/27/1427292327.db2.gz LLAOEALKOXRRKJ-LBPRGKRZSA-N -1 1 376.380 3.134 20 5 GGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c2nsnc2ccc1Cl ZINC000174742313 1427343315 /nfs/dbraw/zinc/34/33/15/1427343315.db2.gz DSIDMKLQSXFSLP-UHFFFAOYSA-N -1 1 384.826 3.362 20 5 GGBDMM CCS[C@@H]1CCC[C@@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821456955 1427352652 /nfs/dbraw/zinc/35/26/52/1427352652.db2.gz SZGKNSKDIUIENC-LSDHHAIUSA-N -1 1 385.453 3.409 20 5 GGBDMM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(-n2cccn2)cc1 ZINC000820462595 1427452043 /nfs/dbraw/zinc/45/20/43/1427452043.db2.gz YWWUTUJQJVQREF-GFCCVEGCSA-N -1 1 376.380 3.134 20 5 GGBDMM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1F ZINC000821699478 1427486831 /nfs/dbraw/zinc/48/68/31/1427486831.db2.gz RESCITKYCXVGEL-UHFFFAOYSA-N -1 1 379.735 3.155 20 5 GGBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)ccc1C ZINC000175002874 1427490848 /nfs/dbraw/zinc/49/08/48/1427490848.db2.gz NMKDPKTXGYPEKQ-UHFFFAOYSA-N -1 1 377.422 3.279 20 5 GGBDMM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000175002713 1427490905 /nfs/dbraw/zinc/49/09/05/1427490905.db2.gz AUSZROWDNLAMAF-UHFFFAOYSA-N -1 1 391.449 3.071 20 5 GGBDMM Cc1ccc(NCCCNc2nc(C)cc(C)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000737362453 1427580462 /nfs/dbraw/zinc/58/04/62/1427580462.db2.gz PKFBNJKFSRSEJU-UHFFFAOYSA-N -1 1 382.428 3.009 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Oc1ccc(Br)c(F)c1 ZINC000738359438 1427600533 /nfs/dbraw/zinc/60/05/33/1427600533.db2.gz RIOXGVGQWLBFTA-UHFFFAOYSA-N -1 1 380.133 3.469 20 5 GGBDMM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736204565 1427715508 /nfs/dbraw/zinc/71/55/08/1427715508.db2.gz RSCNIKAABRWNBZ-CQSZACIVSA-N -1 1 394.435 3.379 20 5 GGBDMM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736204565 1427715514 /nfs/dbraw/zinc/71/55/14/1427715514.db2.gz RSCNIKAABRWNBZ-CQSZACIVSA-N -1 1 394.435 3.379 20 5 GGBDMM C[C@@H](OC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824716229 1427747047 /nfs/dbraw/zinc/74/70/47/1427747047.db2.gz WXWBVYVKVVEIAK-LLVKDONJSA-N -1 1 385.405 3.171 20 5 GGBDMM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1Cl ZINC000820455807 1427751536 /nfs/dbraw/zinc/75/15/36/1427751536.db2.gz NEXGNVVABYPOGA-VXJOIVPMSA-N -1 1 392.778 3.101 20 5 GGBDMM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000738173329 1427826827 /nfs/dbraw/zinc/82/68/27/1427826827.db2.gz OEYFWRHMKVDCPY-UHFFFAOYSA-N -1 1 391.347 3.148 20 5 GGBDMM CC(C)c1cc(=O)oc2cc(Oc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])ccc21 ZINC000820187867 1427902924 /nfs/dbraw/zinc/90/29/24/1427902924.db2.gz WTMCSEUNSARBBD-UHFFFAOYSA-N -1 1 394.347 3.192 20 5 GGBDMM Cc1sc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC000737566331 1427949122 /nfs/dbraw/zinc/94/91/22/1427949122.db2.gz ZILAPMRCVBMMKX-UHFFFAOYSA-N -1 1 378.801 3.359 20 5 GGBDMM C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000824505737 1427955376 /nfs/dbraw/zinc/95/53/76/1427955376.db2.gz HSGRIVGEYOOMAG-NSHDSACASA-N -1 1 398.427 3.214 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2nc(COc3cccc(F)c3-c3nn[n-]n3)co2)cc1 ZINC000826498356 1427976010 /nfs/dbraw/zinc/97/60/10/1427976010.db2.gz RATAOGITYJBHSL-UHFFFAOYSA-N -1 1 382.311 3.148 20 5 GGBDMM Cn1cnc([N+](=O)[O-])c1Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822698978 1428065227 /nfs/dbraw/zinc/06/52/27/1428065227.db2.gz KCWKDSOOVDASDH-UHFFFAOYSA-N -1 1 396.342 3.183 20 5 GGBDMM Cc1cnc([C@@H](C)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000822389402 1428139024 /nfs/dbraw/zinc/13/90/24/1428139024.db2.gz VCUBVECCZYYSQU-SECBINFHSA-N -1 1 382.409 3.261 20 5 GGBDMM Cc1ccc([C@@H](C)OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822231028 1429862757 /nfs/dbraw/zinc/86/27/57/1429862757.db2.gz XYIFBQHWOBLGBO-CYBMUJFWSA-N -1 1 381.392 3.320 20 5 GGBDMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000820926635 1429882084 /nfs/dbraw/zinc/88/20/84/1429882084.db2.gz UMWSIENEGCSBGO-CYBMUJFWSA-N -1 1 382.380 3.109 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000826293490 1429925806 /nfs/dbraw/zinc/92/58/06/1429925806.db2.gz QUSFMMOVQUQFHA-LBPRGKRZSA-N -1 1 399.432 3.480 20 5 GGBDMM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000820373145 1430095975 /nfs/dbraw/zinc/09/59/75/1430095975.db2.gz FIGUQSIFWDDQEZ-VIFPVBQESA-N -1 1 387.787 3.311 20 5 GGBDMM O=[N+]([O-])c1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1F ZINC000823645979 1430162388 /nfs/dbraw/zinc/16/23/88/1430162388.db2.gz YWTNKLSBDKHBII-UHFFFAOYSA-N -1 1 381.270 3.094 20 5 GGBDMM C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461313 1430227209 /nfs/dbraw/zinc/22/72/09/1430227209.db2.gz HDAMXASKVHZBKI-MRVPVSSYSA-N -1 1 390.201 3.106 20 5 GGBDMM Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183513556 1430732132 /nfs/dbraw/zinc/73/21/32/1430732132.db2.gz IEBXQWXDSGSYEF-UHFFFAOYSA-N -1 1 387.461 3.410 20 5 GGBDMM Cc1ccc(CS(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1F ZINC000184206541 1430856166 /nfs/dbraw/zinc/85/61/66/1430856166.db2.gz ZIGPVLLMXBYLAE-UHFFFAOYSA-N -1 1 390.396 3.374 20 5 GGBDMM CCc1nc2ccccc2n1C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000185905827 1431273160 /nfs/dbraw/zinc/27/31/60/1431273160.db2.gz PCVHUSDKJPPMKR-UHFFFAOYSA-N -1 1 395.419 3.085 20 5 GGBDMM O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189396351 1432098696 /nfs/dbraw/zinc/09/86/96/1432098696.db2.gz FAEBNFYUUWWJNB-UHFFFAOYSA-N -1 1 399.300 3.315 20 5 GGBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)ccc1C ZINC000191565774 1432684591 /nfs/dbraw/zinc/68/45/91/1432684591.db2.gz NJAYSQOCHJGZNC-UHFFFAOYSA-N -1 1 377.422 3.279 20 5 GGBDMM CNC(=O)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)ccc1Cl ZINC000191790344 1432725907 /nfs/dbraw/zinc/72/59/07/1432725907.db2.gz MHIKVKQAQDBZIQ-UHFFFAOYSA-N -1 1 397.840 3.025 20 5 GGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)cc1[N+](=O)[O-] ZINC000191796100 1432727324 /nfs/dbraw/zinc/72/73/24/1432727324.db2.gz IFWLFTUTNXJFRE-UHFFFAOYSA-N -1 1 389.433 3.287 20 5 GGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)cc1[N+](=O)[O-] ZINC000191902189 1432751208 /nfs/dbraw/zinc/75/12/08/1432751208.db2.gz LUQJXGLTYKCWQY-UHFFFAOYSA-N -1 1 386.433 3.413 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000193423453 1432995984 /nfs/dbraw/zinc/99/59/84/1432995984.db2.gz LQSUNBCXBLAYNB-UHFFFAOYSA-N -1 1 382.351 3.245 20 5 GGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000193532440 1433015703 /nfs/dbraw/zinc/01/57/03/1433015703.db2.gz FNTBXUQJOHBWNF-CQSZACIVSA-N -1 1 398.202 3.216 20 5 GGBDMM COc1ccccc1[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000193565681 1433020568 /nfs/dbraw/zinc/02/05/68/1433020568.db2.gz NQOKSAPMNVOHOV-GOSISDBHSA-N -1 1 379.372 3.223 20 5 GGBDMM Cc1nc(-c2ncccn2)sc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000193783336 1433058637 /nfs/dbraw/zinc/05/86/37/1433058637.db2.gz HMLWXNVGTCFVNQ-UHFFFAOYSA-N -1 1 377.332 3.347 20 5 GGBDMM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1 ZINC000194134362 1433123245 /nfs/dbraw/zinc/12/32/45/1433123245.db2.gz JFMZBQFZNNHFIK-UHFFFAOYSA-N -1 1 387.211 3.167 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1Br ZINC000194135864 1433123576 /nfs/dbraw/zinc/12/35/76/1433123576.db2.gz AONOZZABGGCFJP-UHFFFAOYSA-N -1 1 393.165 3.436 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCSc2c(F)cccc21 ZINC000194341002 1433164239 /nfs/dbraw/zinc/16/42/39/1433164239.db2.gz MYDYOHSGEWRERH-LBPRGKRZSA-N -1 1 386.401 3.388 20 5 GGBDMM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C(=O)N(C)C(C)C ZINC000194669888 1433213597 /nfs/dbraw/zinc/21/35/97/1433213597.db2.gz IPZVHWDHTXTFOR-UHFFFAOYSA-N -1 1 391.449 3.184 20 5 GGBDMM COCCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cccc2F)cc1OC ZINC000198124203 1433347708 /nfs/dbraw/zinc/34/77/08/1433347708.db2.gz PFJZOMDWYLMWSE-UHFFFAOYSA-N -1 1 382.319 3.159 20 5 GGBDMM CC(C)(C)OC(=O)Nc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1)OCO2 ZINC000267617329 1434450426 /nfs/dbraw/zinc/45/04/26/1434450426.db2.gz LWANKZJLSXXUMS-UHFFFAOYSA-N -1 1 390.352 3.251 20 5 GGBDMM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000272460319 1434897802 /nfs/dbraw/zinc/89/78/02/1434897802.db2.gz CESFDLSOWHUFFB-UHFFFAOYSA-N -1 1 393.403 3.105 20 5 GGBDMM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000273285214 1434977932 /nfs/dbraw/zinc/97/79/32/1434977932.db2.gz HMCXRHZOSCZXFR-UHFFFAOYSA-N -1 1 393.403 3.105 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273532530 1434994979 /nfs/dbraw/zinc/99/49/79/1434994979.db2.gz RDLUMPQHGJMEIA-HIFRSBDPSA-N -1 1 398.387 3.072 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273532532 1434994995 /nfs/dbraw/zinc/99/49/95/1434994995.db2.gz RDLUMPQHGJMEIA-UKRRQHHQSA-N -1 1 398.387 3.072 20 5 GGBDMM COc1cc(CSc2nc([O-])cc(=O)n2C2CCCC2)c([N+](=O)[O-])cc1F ZINC000274232578 1435053264 /nfs/dbraw/zinc/05/32/64/1435053264.db2.gz RBMJWDLOAJXQNZ-UHFFFAOYSA-N -1 1 395.412 3.412 20 5 GGBDMM CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000281313757 1435803479 /nfs/dbraw/zinc/80/34/79/1435803479.db2.gz JSCHJYQKTLKVDB-UHFFFAOYSA-N -1 1 392.437 3.091 20 5 GGBDMM C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1nc(-c2ccccc2)no1 ZINC000824429498 1441518283 /nfs/dbraw/zinc/51/82/83/1441518283.db2.gz YHJVUTPLYPQSKR-NSHDSACASA-N -1 1 392.379 3.041 20 5 GGBDMM C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824708089 1441532494 /nfs/dbraw/zinc/53/24/94/1441532494.db2.gz WZTHZJZNDVRWLH-LBPRGKRZSA-N -1 1 381.392 3.357 20 5 GGBDMM O=C(c1cccc(-c2nnn[n-]2)c1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000738266491 1441547681 /nfs/dbraw/zinc/54/76/81/1441547681.db2.gz FOGYGADBVGENGF-UHFFFAOYSA-N -1 1 378.392 3.364 20 5 GGBDMM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1csc([N+](=O)[O-])c1 ZINC000826460312 1441548575 /nfs/dbraw/zinc/54/85/75/1441548575.db2.gz XKZNDRRCTNHAHR-UHFFFAOYSA-N -1 1 399.417 3.212 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc2nc(C3CC3)sc2c1 ZINC000823624701 1441568370 /nfs/dbraw/zinc/56/83/70/1441568370.db2.gz FITXZTSVVQYCER-UHFFFAOYSA-N -1 1 380.393 3.401 20 5 GGBDMM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1-n1cccn1 ZINC000820461599 1441643459 /nfs/dbraw/zinc/64/34/59/1441643459.db2.gz NNJCXYIJOPDWTP-GFCCVEGCSA-N -1 1 376.380 3.134 20 5 GGBDMM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000821411828 1441658645 /nfs/dbraw/zinc/65/86/45/1441658645.db2.gz BXHAHIXTFOVUBI-UHFFFAOYSA-N -1 1 388.771 3.079 20 5 GGBDMM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCc1nc2ccccc2c2ccccc12 ZINC000822665789 1441737678 /nfs/dbraw/zinc/73/76/78/1441737678.db2.gz YIUGVGDQRXEKFT-UHFFFAOYSA-N -1 1 384.399 3.264 20 5 GGBDMM O=[N+]([O-])c1cnc(NCCCOc2ccc3ccccc3c2)c(-c2nnn[n-]2)c1 ZINC000823651804 1441841326 /nfs/dbraw/zinc/84/13/26/1441841326.db2.gz RDIQLUJNHYSJPY-UHFFFAOYSA-N -1 1 391.391 3.204 20 5 GGBDMM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H](O)c1c(F)cccc1Cl ZINC000820456558 1441884616 /nfs/dbraw/zinc/88/46/16/1441884616.db2.gz VHPMRCRVOYZSHL-AYVTZFPOSA-N -1 1 392.778 3.101 20 5 GGBDMM CN(Cc1ccc(F)c(F)c1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736816907 1441921442 /nfs/dbraw/zinc/92/14/42/1441921442.db2.gz OUWYRXUMBXRERK-UHFFFAOYSA-N -1 1 397.345 3.238 20 5 GGBDMM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1OC(F)F ZINC000825976803 1441930933 /nfs/dbraw/zinc/93/09/33/1441930933.db2.gz QNAOETYIDSKVKC-UHFFFAOYSA-N -1 1 376.323 3.013 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccc(F)c1Cl ZINC000826450931 1441959584 /nfs/dbraw/zinc/95/95/84/1441959584.db2.gz JCSJMFJONLBSCM-UHFFFAOYSA-N -1 1 397.153 3.473 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](C(F)(F)F)C3)cc(-c3nnn[n-]3)c2c1 ZINC000738366088 1441966733 /nfs/dbraw/zinc/96/67/33/1441966733.db2.gz BTPCSJRMZGOUHH-SECBINFHSA-N -1 1 393.329 3.102 20 5 GGBDMM COc1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c(F)c1 ZINC000821821718 1442054870 /nfs/dbraw/zinc/05/48/70/1442054870.db2.gz SNNZYLIYBWEKPA-UHFFFAOYSA-N -1 1 395.354 3.083 20 5 GGBDMM CCc1ccc(C2=CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cc1 ZINC000825704653 1442079163 /nfs/dbraw/zinc/07/91/63/1442079163.db2.gz MAHDQPXGAAZIIB-UHFFFAOYSA-N -1 1 377.408 3.026 20 5 GGBDMM Cc1nccn1-c1ccc([C@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000822477011 1442092838 /nfs/dbraw/zinc/09/28/38/1442092838.db2.gz CQEIEHKAIVKJQZ-LBPRGKRZSA-N -1 1 390.407 3.442 20 5 GGBDMM O=[N+]([O-])c1ccc(N2CC[C@H](CSc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823640098 1442093191 /nfs/dbraw/zinc/09/31/91/1442093191.db2.gz SHUXNHVHKOBPJB-ZDUSSCGKSA-N -1 1 382.449 3.394 20 5 GGBDMM O=[N+]([O-])c1ccc(F)cc1COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000823639941 1442098181 /nfs/dbraw/zinc/09/81/81/1442098181.db2.gz MWDSIUNERALOSH-UHFFFAOYSA-N -1 1 394.160 3.256 20 5 GGBDMM C[C@@H](Cc1ccc(C(F)(F)F)cc1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736057140 1442151870 /nfs/dbraw/zinc/15/18/70/1442151870.db2.gz UFGVWUNDRNSTCF-VIFPVBQESA-N -1 1 393.329 3.232 20 5 GGBDMM CC(C)(C)OC(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000819946570 1442194987 /nfs/dbraw/zinc/19/49/87/1442194987.db2.gz OGZHJTUHTHJIKK-UHFFFAOYSA-N -1 1 396.407 3.342 20 5 GGBDMM CC(C)(C)c1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000735647820 1442293160 /nfs/dbraw/zinc/29/31/60/1442293160.db2.gz DDCRXYBTUPXHIN-UHFFFAOYSA-N -1 1 384.371 3.464 20 5 GGBDMM C[C@@H]1CCc2c(sc(NC(=O)Cc3cccc([N+](=O)[O-])c3)c2-c2nnn[n-]2)C1 ZINC000736278615 1442430889 /nfs/dbraw/zinc/43/08/89/1442430889.db2.gz IBLXTOLBKSRYSE-SNVBAGLBSA-N -1 1 398.448 3.142 20 5 GGBDMM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813444191 1442436007 /nfs/dbraw/zinc/43/60/07/1442436007.db2.gz BZBJQVIPXQEAOU-UHFFFAOYSA-N -1 1 393.190 3.012 20 5 GGBDMM Cc1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(-c2nnn[n-]2)cc1 ZINC000822160952 1442440694 /nfs/dbraw/zinc/44/06/94/1442440694.db2.gz MGQSATJYSPKTHF-UHFFFAOYSA-N -1 1 390.197 3.425 20 5 GGBDMM CN(C)c1cccc([C@H]2CCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000736778827 1443155194 /nfs/dbraw/zinc/15/51/94/1443155194.db2.gz GGXTWZPXRYNWNH-QGZVFWFLSA-N -1 1 379.424 3.182 20 5 GGBDMM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000825625652 1443164719 /nfs/dbraw/zinc/16/47/19/1443164719.db2.gz AOSNTCAIWYRHCB-NSHDSACASA-N -1 1 397.395 3.056 20 5 GGBDMM CCc1oc2ccccc2c1CN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821563726 1443188138 /nfs/dbraw/zinc/18/81/38/1443188138.db2.gz CDWQSEPJFDVHFL-UHFFFAOYSA-N -1 1 379.380 3.115 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1Sc1ccc(-c2nnn[n-]2)cn1 ZINC000823635088 1443261106 /nfs/dbraw/zinc/26/11/06/1443261106.db2.gz RAIHMXZMKSOGEF-UHFFFAOYSA-N -1 1 379.199 3.084 20 5 GGBDMM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C=C(C)c1ccc([N+](=O)[O-])cc1 ZINC000825621362 1443316081 /nfs/dbraw/zinc/31/60/81/1443316081.db2.gz QWBZCSQEGKDGNV-BENRWUELSA-N -1 1 394.391 3.216 20 5 GGBDMM CCc1nnc(Oc2ccc([N+](=O)[O-])c(Cl)c2)c(-c2nnn[n-]2)c1CC ZINC000821548393 1443344842 /nfs/dbraw/zinc/34/48/42/1443344842.db2.gz LLZVRLBMUZLIBV-UHFFFAOYSA-N -1 1 375.776 3.135 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCc3cccc4cccnc43)cc(-c3nn[n-]n3)c2c1 ZINC000823645929 1443347405 /nfs/dbraw/zinc/34/74/05/1443347405.db2.gz WPNVKVBRAZKOQT-UHFFFAOYSA-N -1 1 398.386 3.483 20 5 GGBDMM O=C(C[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccs1 ZINC000826404459 1443455104 /nfs/dbraw/zinc/45/51/04/1443455104.db2.gz BPHYGFINDIXCNR-GFCCVEGCSA-N -1 1 384.421 3.078 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1cnn(-c2ccccc2Cl)c1 ZINC000738357145 1443475714 /nfs/dbraw/zinc/47/57/14/1443475714.db2.gz CXCIFKJPCHJIMZ-UHFFFAOYSA-N -1 1 382.771 3.358 20 5 GGBDMM Cc1ccc(-c2nn[n-]n2)cc1OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000826278973 1443486823 /nfs/dbraw/zinc/48/68/23/1443486823.db2.gz ATKYGTXFVUZHAQ-UHFFFAOYSA-N -1 1 378.348 3.317 20 5 GGBDMM O=C(C[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000826404615 1443503587 /nfs/dbraw/zinc/50/35/87/1443503587.db2.gz GTLBUGKYEPPZJO-OAHLLOKOSA-N -1 1 396.382 3.156 20 5 GGBDMM O=[N+]([O-])c1ccc(NCCOc2ccc(-c3nnn[n-]3)cc2)c(C(F)(F)F)c1 ZINC000823640176 1443545163 /nfs/dbraw/zinc/54/51/63/1443545163.db2.gz WNPFOEGQOSQIQS-UHFFFAOYSA-N -1 1 394.313 3.285 20 5 GGBDMM O=[N+]([O-])c1cnc(N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c(-c2nnn[n-]2)c1 ZINC000738370277 1443546788 /nfs/dbraw/zinc/54/67/88/1443546788.db2.gz UGKAFHCTLZNTKR-CYBMUJFWSA-N -1 1 390.407 3.035 20 5 GGBDMM O=[N+]([O-])c1cc(Br)cnc1Sc1ccc(-c2nn[n-]n2)cc1 ZINC000823635206 1443602912 /nfs/dbraw/zinc/60/29/12/1443602912.db2.gz TVNJAKDSRLIYJI-UHFFFAOYSA-N -1 1 379.199 3.084 20 5 GGBDMM COc1cc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000826180608 1443623201 /nfs/dbraw/zinc/62/32/01/1443623201.db2.gz OXDKVXXTEGMXPX-UHFFFAOYSA-N -1 1 396.382 3.216 20 5 GGBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000820455435 1443720813 /nfs/dbraw/zinc/72/08/13/1443720813.db2.gz IOGZYXGTVOEJKS-LBPRGKRZSA-N -1 1 376.380 3.134 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@H]1CCc2ccccc21 ZINC000826451171 1443726825 /nfs/dbraw/zinc/72/68/25/1443726825.db2.gz SYXGPGXXZKKOKE-LBPRGKRZSA-N -1 1 384.783 3.097 20 5 GGBDMM COc1ccc([N+](=O)[O-])cc1CSCCOc1ccccc1-c1nnn[n-]1 ZINC000737114538 1443758409 /nfs/dbraw/zinc/75/84/09/1443758409.db2.gz GXBJWYCRHZHLHR-UHFFFAOYSA-N -1 1 387.421 3.096 20 5 GGBDMM C[C@]1(c2ccccc2)C[C@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820634800 1443819061 /nfs/dbraw/zinc/81/90/61/1443819061.db2.gz KATHWKWWOUPCTC-YLJYHZDGSA-N -1 1 387.403 3.465 20 5 GGBDMM CCc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000821475896 1443867769 /nfs/dbraw/zinc/86/77/69/1443867769.db2.gz BYOCPPWTYYINBV-UHFFFAOYSA-N -1 1 383.412 3.146 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c1 ZINC000826293451 1443901329 /nfs/dbraw/zinc/90/13/29/1443901329.db2.gz PJGAICBIASSGLR-UHFFFAOYSA-N -1 1 376.380 3.086 20 5 GGBDMM CN(Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821610076 1443962681 /nfs/dbraw/zinc/96/26/81/1443962681.db2.gz ZIMSCLIZXYSCNI-UHFFFAOYSA-N -1 1 378.314 3.430 20 5 GGBDMM C[C@@H](Cc1ccsc1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820307886 1443970893 /nfs/dbraw/zinc/97/08/93/1443970893.db2.gz QRAJWXPHPDEAQB-JTQLQIEISA-N -1 1 381.421 3.428 20 5 GGBDMM COc1cccc([C@@H]2C[C@@H](C)CN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000826215552 1446175883 /nfs/dbraw/zinc/17/58/83/1446175883.db2.gz RYUKVOJAJZEOLX-XIKOKIGWSA-N -1 1 380.408 3.371 20 5 GGBDMM CC(C)(C)[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824077659 1446184318 /nfs/dbraw/zinc/18/43/18/1446184318.db2.gz CUOSVSVZWKHXPH-ZBEGNZNMSA-N -1 1 397.439 3.329 20 5 GGBDMM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000820461398 1446197019 /nfs/dbraw/zinc/19/70/19/1446197019.db2.gz JHSVUNPBFTZSMO-QMMMGPOBSA-N -1 1 379.302 3.362 20 5 GGBDMM CCCC(O)(CCC)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821023357 1446222886 /nfs/dbraw/zinc/22/28/86/1446222886.db2.gz YICCGEHGPOWYOV-UHFFFAOYSA-N -1 1 385.428 3.066 20 5 GGBDMM CC(C)(C)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(-c2nnn[n-]2)s1 ZINC000824129625 1446350514 /nfs/dbraw/zinc/35/05/14/1446350514.db2.gz BKYCMGXUXUBDBR-UHFFFAOYSA-N -1 1 386.437 3.315 20 5 GGBDMM Cc1ccsc1CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826316206 1446369570 /nfs/dbraw/zinc/36/95/70/1446369570.db2.gz HEXXDMCBNPMCTM-UHFFFAOYSA-N -1 1 381.421 3.348 20 5 GGBDMM O=[N+]([O-])c1ccc(N2CC[C@@H](OCCCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823639547 1446453063 /nfs/dbraw/zinc/45/30/63/1446453063.db2.gz DBJFBJJLAGUVJA-QGZVFWFLSA-N -1 1 394.435 3.003 20 5 GGBDMM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccsc1 ZINC000824047294 1446464580 /nfs/dbraw/zinc/46/45/80/1446464580.db2.gz ZQOYUUCXNNLJNB-ZETCQYMHSA-N -1 1 378.801 3.232 20 5 GGBDMM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000823070574 1446798424 /nfs/dbraw/zinc/79/84/24/1446798424.db2.gz FUAJBNUFAJWWIZ-UHFFFAOYSA-N -1 1 390.812 3.159 20 5 GGBDMM C[C@H](OC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824716232 1446963375 /nfs/dbraw/zinc/96/33/75/1446963375.db2.gz WXWBVYVKVVEIAK-NSHDSACASA-N -1 1 385.405 3.171 20 5 GGBDMM Cc1c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cccc1-c1nnn[n-]1 ZINC000822061200 1446966190 /nfs/dbraw/zinc/96/61/90/1446966190.db2.gz KVVNQUOEBBLXDV-NSHDSACASA-N -1 1 384.421 3.203 20 5 GGBDMM CCN(C(=O)c1cc(C)ccc1[N+](=O)[O-])[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505775 1446967057 /nfs/dbraw/zinc/96/70/57/1446967057.db2.gz MVMLVZVXFZTLFJ-ZDUSSCGKSA-N -1 1 380.408 3.307 20 5 GGBDMM O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000826455371 1446974234 /nfs/dbraw/zinc/97/42/34/1446974234.db2.gz LADURZFPUPVKAJ-UHFFFAOYSA-N -1 1 384.299 3.108 20 5 GGBDMM CCOc1ccc([C@@H](C)NCc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000825632396 1446977583 /nfs/dbraw/zinc/97/75/83/1446977583.db2.gz QKXWYDGTXVBFIH-LLVKDONJSA-N -1 1 386.387 3.164 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000823620059 1446991110 /nfs/dbraw/zinc/99/11/10/1446991110.db2.gz HMSCGNDYXNISGX-UHFFFAOYSA-N -1 1 392.206 3.039 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCSc1ccc(Cl)cc1 ZINC000823624916 1447017751 /nfs/dbraw/zinc/01/77/51/1447017751.db2.gz KSAJKTKYKATHIE-UHFFFAOYSA-N -1 1 377.817 3.028 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)c(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826497397 1447029975 /nfs/dbraw/zinc/02/99/75/1447029975.db2.gz FZLYXVPJESFBRN-ZDUSSCGKSA-N -1 1 396.190 3.194 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(Nc2ccccc2)nc1 ZINC000823625452 1447064428 /nfs/dbraw/zinc/06/44/28/1447064428.db2.gz WBCCGDBQXPKDID-UHFFFAOYSA-N -1 1 375.352 3.052 20 5 GGBDMM O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826421206 1447080706 /nfs/dbraw/zinc/08/07/06/1447080706.db2.gz WSRBBWYJZBGLCJ-UHFFFAOYSA-N -1 1 390.812 3.159 20 5 GGBDMM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000826330501 1447133437 /nfs/dbraw/zinc/13/34/37/1447133437.db2.gz XCGLRLVLQXGCCL-UHFFFAOYSA-N -1 1 387.425 3.090 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3c3ccco3)cc(-c3nnn[n-]3)c2c1 ZINC000823644757 1447139566 /nfs/dbraw/zinc/13/95/66/1447139566.db2.gz MBVLNJCMCXJWKP-HNNXBMFYSA-N -1 1 377.364 3.258 20 5 GGBDMM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1c(F)cc(F)cc1F ZINC000826451078 1447203485 /nfs/dbraw/zinc/20/34/85/1447203485.db2.gz PFVPBSCOCLLXDN-UHFFFAOYSA-N -1 1 398.688 3.098 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2nc(CNCc3ccc(-c4nnn[n-]4)cc3)cs2)c1 ZINC000738366658 1447253690 /nfs/dbraw/zinc/25/36/90/1447253690.db2.gz GVTNLEPDVFJLDJ-UHFFFAOYSA-N -1 1 393.432 3.188 20 5 GGBDMM Cc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1[N+](=O)[O-] ZINC000822229160 1449016981 /nfs/dbraw/zinc/01/69/81/1449016981.db2.gz OCEJLZCIPGMPAK-GFCCVEGCSA-N -1 1 381.396 3.274 20 5 GGBDMM COc1ccc(C[C@H](C)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1OC ZINC000826191790 1449033783 /nfs/dbraw/zinc/03/37/83/1449033783.db2.gz QDHQLEBSGQFCLY-LBPRGKRZSA-N -1 1 398.423 3.083 20 5 GGBDMM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000736193425 1449086556 /nfs/dbraw/zinc/08/65/56/1449086556.db2.gz QYPROAATOGXQJN-SECBINFHSA-N -1 1 388.384 3.033 20 5 GGBDMM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccc(Cl)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000826499100 1449087934 /nfs/dbraw/zinc/08/79/34/1449087934.db2.gz VVJXQGUQKYPDKJ-LBPRGKRZSA-N -1 1 385.815 3.119 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(OCc2ccccc2)cc1 ZINC000823624544 1449092562 /nfs/dbraw/zinc/09/25/62/1449092562.db2.gz CHFSYNNYMKSVCO-UHFFFAOYSA-N -1 1 389.375 3.493 20 5 GGBDMM O=[N+]([O-])c1cccc(F)c1CSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000738369348 1449123989 /nfs/dbraw/zinc/12/39/89/1449123989.db2.gz LNARDNVKNWBVCZ-UHFFFAOYSA-N -1 1 386.412 3.480 20 5 GGBDMM CC(C)Oc1ccc(CC[C@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820252509 1449144547 /nfs/dbraw/zinc/14/45/47/1449144547.db2.gz BDKHBYRQPWHRLC-ZDUSSCGKSA-N -1 1 397.439 3.390 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Sc1cc2c(cc1Cl)OCCO2 ZINC000738361737 1449171008 /nfs/dbraw/zinc/17/10/08/1449171008.db2.gz ZMAKDJJZIPMOKN-UHFFFAOYSA-N -1 1 391.796 3.351 20 5 GGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737262809 1449202787 /nfs/dbraw/zinc/20/27/87/1449202787.db2.gz GGFOIEZVGMBDKS-VOTSOKGWSA-N -1 1 384.783 3.389 20 5 GGBDMM CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507229 1449294195 /nfs/dbraw/zinc/29/41/95/1449294195.db2.gz BZDGWCNJABVSET-UHFFFAOYSA-N -1 1 393.407 3.016 20 5 GGBDMM CCCO[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821127856 1449431447 /nfs/dbraw/zinc/43/14/47/1449431447.db2.gz MNXRUKPNTXAVJZ-CQSZACIVSA-N -1 1 397.439 3.109 20 5 GGBDMM CCc1ccc(OC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000821486697 1449483920 /nfs/dbraw/zinc/48/39/20/1449483920.db2.gz JNDPVIWDEJRVJV-UHFFFAOYSA-N -1 1 397.391 3.100 20 5 GGBDMM O=[N+]([O-])c1ccc(NCCSCc2ccnc(Cl)c2)c(-c2nnn[n-]2)c1 ZINC000826499015 1449529752 /nfs/dbraw/zinc/52/97/52/1449529752.db2.gz RWMYQCXHJWEQMH-UHFFFAOYSA-N -1 1 391.844 3.169 20 5 GGBDMM O=[N+]([O-])c1cnc(NCCCO[C@@H]2CCCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738373393 1449603623 /nfs/dbraw/zinc/60/36/23/1449603623.db2.gz BQVWLUHWGBRONN-QGZVFWFLSA-N -1 1 395.423 3.066 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NC[C@@H]3[C@@H]4Cc5ccccc5[C@H]34)cc(-c3nnn[n-]3)c2c1 ZINC000823645227 1449623817 /nfs/dbraw/zinc/62/38/17/1449623817.db2.gz PZDZOSYKVWAIOO-VPWXQRGCSA-N -1 1 399.414 3.321 20 5 GGBDMM CCc1c(C)sc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000736669300 1449698335 /nfs/dbraw/zinc/69/83/35/1449698335.db2.gz CPPLOOBVRICXMQ-RMKNXTFCSA-N -1 1 384.421 3.359 20 5 GGBDMM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000826465396 1449739926 /nfs/dbraw/zinc/73/99/26/1449739926.db2.gz LPTGXTYTHQMRLG-UHFFFAOYSA-N -1 1 394.174 3.439 20 5 GGBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825674042 1449843496 /nfs/dbraw/zinc/84/34/96/1449843496.db2.gz GQCKALQYQHYFHE-UHFFFAOYSA-N -1 1 388.384 3.278 20 5 GGBDMM COc1ccccc1C1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCCC1 ZINC000821890728 1449964292 /nfs/dbraw/zinc/96/42/92/1449964292.db2.gz OXZWWTZDMCUCKK-UHFFFAOYSA-N -1 1 395.423 3.102 20 5 GGBDMM COc1cc(F)c([C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1OC ZINC000737053222 1449967964 /nfs/dbraw/zinc/96/79/64/1449967964.db2.gz FZQRENVFTIGXON-SECBINFHSA-N -1 1 388.359 3.104 20 5 GGBDMM CCNc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000821304522 1450016514 /nfs/dbraw/zinc/01/65/14/1450016514.db2.gz IZEMYHYYBMUWQI-UHFFFAOYSA-N -1 1 381.396 3.021 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1ccc(Br)cc1 ZINC000738357574 1450040484 /nfs/dbraw/zinc/04/04/84/1450040484.db2.gz FQHDJITUHMRBDG-UHFFFAOYSA-N -1 1 375.186 3.150 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823634507 1450083060 /nfs/dbraw/zinc/08/30/60/1450083060.db2.gz ITKFOBOJZPVKST-UHFFFAOYSA-N -1 1 394.160 3.256 20 5 GGBDMM O=[N+]([O-])c1cnc(NCC(c2ccccc2)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823650803 1450197135 /nfs/dbraw/zinc/19/71/35/1450197135.db2.gz AXGQMXXESPJFCI-UHFFFAOYSA-N -1 1 387.403 3.414 20 5 GGBDMM C[C@H]1CCCC[C@@H]1OCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820705921 1450288247 /nfs/dbraw/zinc/28/82/47/1450288247.db2.gz WVQDXDNPZUSSHT-SJCJKPOMSA-N -1 1 397.439 3.330 20 5 GGBDMM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000737954408 1450416892 /nfs/dbraw/zinc/41/68/92/1450416892.db2.gz LLXNZRYALWEATC-UHFFFAOYSA-N -1 1 392.419 3.293 20 5 GGBDMM O=[N+]([O-])c1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(Cl)c1 ZINC000738366716 1450501623 /nfs/dbraw/zinc/50/16/23/1450501623.db2.gz IDFBGWSMFMLCJB-UHFFFAOYSA-N -1 1 399.754 3.057 20 5 GGBDMM Cc1c(CC(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000826235983 1450516387 /nfs/dbraw/zinc/51/63/87/1450516387.db2.gz WBYUAVAIBCMOCV-UHFFFAOYSA-N -1 1 394.435 3.315 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1Sc1cccc(-c2nnn[n-]2)n1 ZINC000826497580 948411679 /nfs/dbraw/zinc/41/16/79/948411679.db2.gz MIHCYKALYBGPBU-UHFFFAOYSA-N -1 1 379.199 3.084 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1Sc1cccc(-c2nn[n-]n2)n1 ZINC000826497580 948411684 /nfs/dbraw/zinc/41/16/84/948411684.db2.gz MIHCYKALYBGPBU-UHFFFAOYSA-N -1 1 379.199 3.084 20 5 GGBDMM Cc1c(NC(=O)[C@H](C)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001574303983 960726486 /nfs/dbraw/zinc/72/64/86/960726486.db2.gz GCJLEKPQKAHREF-BHYGNILZSA-N -1 1 397.431 3.030 20 5 GGBDMM Cc1c(NC(=O)[C@@H](C)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001574303984 960727680 /nfs/dbraw/zinc/72/76/80/960727680.db2.gz GCJLEKPQKAHREF-HYVNUMGLSA-N -1 1 397.431 3.030 20 5 GGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000484972662 974222918 /nfs/dbraw/zinc/22/29/18/974222918.db2.gz MGZWOAFWOQZWFX-UHFFFAOYSA-N -1 1 394.405 3.189 20 5 GGBDMM CC[C@H]1CN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000514675683 974290393 /nfs/dbraw/zinc/29/03/93/974290393.db2.gz VFDHLQZRYPQRGN-INIZCTEOSA-N -1 1 384.436 3.097 20 5 GGBDMM CC[C@@H]1CN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000514675684 974291013 /nfs/dbraw/zinc/29/10/13/974291013.db2.gz VFDHLQZRYPQRGN-MRXNPFEDSA-N -1 1 384.436 3.097 20 5 GGBDMM O=C([O-])c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000548199021 974454098 /nfs/dbraw/zinc/45/40/98/974454098.db2.gz NCOWOXKFDWEWHQ-UHFFFAOYSA-N -1 1 390.295 3.113 20 5 GGBDMM Cc1ccc2nc([C@@H]3CCCN(c4nccc(C(=O)[O-])c4[N+](=O)[O-])C3)[nH]c2c1 ZINC000584722150 974957462 /nfs/dbraw/zinc/95/74/62/974957462.db2.gz IJRCZSGSVOFZNB-GFCCVEGCSA-N -1 1 381.392 3.257 20 5 GGBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(C(=O)[O-])CC2)cc1OC ZINC000593733269 974984615 /nfs/dbraw/zinc/98/46/15/974984615.db2.gz KMUTZDYGRRFDEU-ZDUSSCGKSA-N -1 1 380.441 3.325 20 5 GGBDMM COc1cc(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)ccc1[N+](=O)[O-] ZINC000600676793 975006098 /nfs/dbraw/zinc/00/60/98/975006098.db2.gz WQQNIMMAAFQTCI-UHFFFAOYSA-N -1 1 377.422 3.138 20 5 GGBDMM CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000619620730 975025527 /nfs/dbraw/zinc/02/55/27/975025527.db2.gz QFUPZJGSTBSFMP-UHFFFAOYSA-N -1 1 394.405 3.109 20 5 GGBDMM CC(C)OC(=O)c1ccc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC001591686063 975490114 /nfs/dbraw/zinc/49/01/14/975490114.db2.gz WVXNREAZMFIUQJ-HXUWFJFHSA-N -1 1 386.404 3.250 20 5 GGBDMM CC(C)OCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])c1 ZINC001591734199 975715459 /nfs/dbraw/zinc/71/54/59/975715459.db2.gz ABEBYLBSYCZQJQ-UHFFFAOYSA-N -1 1 394.405 3.019 20 5 GGBDMM C[C@](CC(=O)[O-])(NCc1ccc(Br)c([N+](=O)[O-])c1)c1cccnc1 ZINC001592328624 977748621 /nfs/dbraw/zinc/74/86/21/977748621.db2.gz NJEZLFCWAAUAGM-MRXNPFEDSA-N -1 1 394.225 3.232 20 5 GGBDMM C[C@H](CN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1)C(=O)[O-] ZINC001592604502 978543452 /nfs/dbraw/zinc/54/34/52/978543452.db2.gz DPQACMNJNVSYBO-CQSZACIVSA-N -1 1 396.403 3.368 20 5 GGBDMM O=C([O-])Cc1ccc(N2CCCN(Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000844206621 979353508 /nfs/dbraw/zinc/35/35/08/979353508.db2.gz GTXJAKAFFINLOZ-UHFFFAOYSA-N -1 1 387.411 3.073 20 5 GGBDMM CCC(CC)[C@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])N1CCOCC1 ZINC000859994125 979654179 /nfs/dbraw/zinc/65/41/79/979654179.db2.gz RURZNHDEHGJNGS-FNQPIQQGSA-N -1 1 391.468 3.242 20 5 GGBDMM CCC(CC)[C@@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])N1CCOCC1 ZINC000859994128 979654319 /nfs/dbraw/zinc/65/43/19/979654319.db2.gz RURZNHDEHGJNGS-ZLQZBKBYSA-N -1 1 391.468 3.242 20 5 GGBDMM CC[C@](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595264699 980271720 /nfs/dbraw/zinc/27/17/20/980271720.db2.gz CKVAZWMIZDMZTO-QGZVFWFLSA-N -1 1 378.768 3.074 20 5 GGBDMM O=C([O-])CCN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000901677359 980440337 /nfs/dbraw/zinc/44/03/37/980440337.db2.gz JHVDXDODKWSABY-GFCCVEGCSA-N -1 1 377.224 3.357 20 5 GGBDMM O=C([O-])CCN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000901677360 980440364 /nfs/dbraw/zinc/44/03/64/980440364.db2.gz JHVDXDODKWSABY-LBPRGKRZSA-N -1 1 377.224 3.357 20 5 GGBDMM CC[C@@H]1CN(C)c2ccccc2CN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001595482340 981206858 /nfs/dbraw/zinc/20/68/58/981206858.db2.gz HITIETYPVTXSDV-QGZVFWFLSA-N -1 1 399.447 3.289 20 5 GGBDMM CC[C@@H]1Oc2cc([C@H](C)NCc3cc(C(=O)[O-])ccc3[N+](=O)[O-])ccc2NC1=O ZINC001595499644 981265734 /nfs/dbraw/zinc/26/57/34/981265734.db2.gz NQTCWYKHTHPFIY-GTNSWQLSSA-N -1 1 399.403 3.253 20 5 GGBDMM CCCCOc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])c1 ZINC001595780656 982551737 /nfs/dbraw/zinc/55/17/37/982551737.db2.gz AKYZNDZRYAFHQJ-UHFFFAOYSA-N -1 1 394.405 3.273 20 5 GGBDMM CCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1CC ZINC001597555758 988282908 /nfs/dbraw/zinc/28/29/08/988282908.db2.gz HPANFJAHBFIJPU-UHFFFAOYSA-N -1 1 378.406 3.219 20 5 GGBDMM CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001598538037 992863375 /nfs/dbraw/zinc/86/33/75/992863375.db2.gz YVSCDIWRQDNPNL-UHFFFAOYSA-N -1 1 395.297 3.220 20 5 GGBDMM C[C@@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC001593288547 994657485 /nfs/dbraw/zinc/65/74/85/994657485.db2.gz LKBNUHACSJHBMI-GFCCVEGCSA-N -1 1 383.404 3.492 20 5 GGBDMM C[C@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC001593288549 994658108 /nfs/dbraw/zinc/65/81/08/994658108.db2.gz LKBNUHACSJHBMI-LBPRGKRZSA-N -1 1 383.404 3.492 20 5 GGBDMM C[C@@](NCc1cccc(F)c1OC(F)F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593303407 994734752 /nfs/dbraw/zinc/73/47/52/994734752.db2.gz CMPIFIFJMABXRC-KRWDZBQOSA-N -1 1 384.310 3.425 20 5 GGBDMM C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593312192 994796026 /nfs/dbraw/zinc/79/60/26/994796026.db2.gz PXOHRBMBAXJBOV-DYVFJYSZSA-N -1 1 396.403 3.066 20 5 GGBDMM COCc1cc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc(C(=O)[O-])c1 ZINC001599288729 997026546 /nfs/dbraw/zinc/02/65/46/997026546.db2.gz NOYMEQLFEYOPGO-UHFFFAOYSA-N -1 1 396.359 3.082 20 5 GGBDMM COc1ccc([C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C(=O)[O-])cc1Cl ZINC001599530689 997646529 /nfs/dbraw/zinc/64/65/29/997646529.db2.gz FGQAFSHYYSNOJP-MRXNPFEDSA-N -1 1 380.784 3.181 20 5 GGBDMM C[C@]1(c2cccc(F)c2)CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001594074572 997940391 /nfs/dbraw/zinc/94/03/91/997940391.db2.gz WGFMFLSIOUNNQZ-FQEVSTJZSA-N -1 1 388.395 3.361 20 5 GGBDMM COc1c(O)ccc(CN[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC001599345087 997989559 /nfs/dbraw/zinc/98/95/59/997989559.db2.gz QDFOBSZHFGJJMP-QGZVFWFLSA-N -1 1 382.372 3.378 20 5 GGBDMM COc1ccc(CN2CCC(Cc3ncc(C(=O)[O-])s3)CC2)cc1[N+](=O)[O-] ZINC001599564453 998260708 /nfs/dbraw/zinc/26/07/08/998260708.db2.gz YWFUJYOWEOSEOT-UHFFFAOYSA-N -1 1 391.449 3.213 20 5 GGBDMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000014049072 221297709 /nfs/dbraw/zinc/29/77/09/221297709.db2.gz HSQINTGIMREQMB-CYBMUJFWSA-N -1 1 391.449 3.232 20 5 GGBDMM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000116377962 564209521 /nfs/dbraw/zinc/20/95/21/564209521.db2.gz IDCMQFOCTLJWQY-UHFFFAOYSA-N -1 1 375.859 3.227 20 5 GGBDMM CCOCc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000119543493 564276419 /nfs/dbraw/zinc/27/64/19/564276419.db2.gz GXQHDVZSLCXLCU-UHFFFAOYSA-N -1 1 384.841 3.263 20 5 GGBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000014097606 564279378 /nfs/dbraw/zinc/27/93/78/564279378.db2.gz LOXRFWHQTOMXGT-UHFFFAOYSA-N -1 1 383.813 3.316 20 5 GGBDMM CCOc1cc(C(=O)[N-]c2nnc(SCC)s2)c([N+](=O)[O-])cc1OC ZINC000018079261 564301362 /nfs/dbraw/zinc/30/13/62/564301362.db2.gz BFOPACIVHHJRBN-UHFFFAOYSA-N -1 1 384.439 3.218 20 5 GGBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(SCC)s2)cc1OC ZINC000019199493 564302821 /nfs/dbraw/zinc/30/28/21/564302821.db2.gz JRZANIVGOGEHCK-UHFFFAOYSA-N -1 1 384.439 3.218 20 5 GGBDMM Cc1csc([C@@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C2CC2)n1 ZINC000120965924 564345972 /nfs/dbraw/zinc/34/59/72/564345972.db2.gz COLWDKUQDIONIE-AWEZNQCLSA-N -1 1 381.479 3.406 20 5 GGBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000031556048 564390139 /nfs/dbraw/zinc/39/01/39/564390139.db2.gz OJDKPJNWCJSBMP-UHFFFAOYSA-N -1 1 383.813 3.316 20 5 GGBDMM CCOCCC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000122552235 564419376 /nfs/dbraw/zinc/41/93/76/564419376.db2.gz RWLCJKJBRCWMEM-UHFFFAOYSA-N -1 1 376.862 3.123 20 5 GGBDMM COCCC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC1 ZINC000124937198 564498328 /nfs/dbraw/zinc/49/83/28/564498328.db2.gz DGIYEMQGNCXMNP-UHFFFAOYSA-N -1 1 376.862 3.123 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cccc(OC(F)F)c1 ZINC000051157288 564562113 /nfs/dbraw/zinc/56/21/13/564562113.db2.gz ONPXXRZQQMJLDK-UHFFFAOYSA-N -1 1 392.767 3.328 20 5 GGBDMM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000055582941 564624588 /nfs/dbraw/zinc/62/45/88/564624588.db2.gz GALBRIXEZDBRCU-UHFFFAOYSA-N -1 1 387.776 3.147 20 5 GGBDMM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000061036009 564703990 /nfs/dbraw/zinc/70/39/90/564703990.db2.gz JAKSDJJWXSOOOA-UHFFFAOYSA-N -1 1 396.277 3.354 20 5 GGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ncccc2Br)c1C ZINC000132341284 564740311 /nfs/dbraw/zinc/74/03/11/564740311.db2.gz AHBLPKDQDCPCJX-UHFFFAOYSA-N -1 1 386.227 3.170 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2c(Cl)cccc2Cl)s1 ZINC000066001495 564754079 /nfs/dbraw/zinc/75/40/79/564754079.db2.gz WYKKDJIDCPDFLA-UHFFFAOYSA-N -1 1 381.262 3.484 20 5 GGBDMM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc([N+](=O)[O-])cc1Br ZINC000133112442 564763720 /nfs/dbraw/zinc/76/37/20/564763720.db2.gz BZTJCAYEALTHSK-UHFFFAOYSA-N -1 1 397.132 3.480 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc1 ZINC000066585696 564770157 /nfs/dbraw/zinc/77/01/57/564770157.db2.gz UCBWJJFEDKVSMJ-UHFFFAOYSA-N -1 1 378.797 3.235 20 5 GGBDMM Cc1nn(C)c(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)c1[N+](=O)[O-] ZINC000098102437 564913672 /nfs/dbraw/zinc/91/36/72/564913672.db2.gz CARADGBMVPWIFQ-UHFFFAOYSA-N -1 1 378.801 3.061 20 5 GGBDMM CC[C@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000151479221 564922423 /nfs/dbraw/zinc/92/24/23/564922423.db2.gz HZNRELMTKCXTIX-ZDUSSCGKSA-N -1 1 375.859 3.308 20 5 GGBDMM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000152314867 564954437 /nfs/dbraw/zinc/95/44/37/564954437.db2.gz MXZLGGRPHZMMQL-VIFPVBQESA-N -1 1 388.854 3.250 20 5 GGBDMM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000104756164 564959109 /nfs/dbraw/zinc/95/91/09/564959109.db2.gz ZUGPJGVITAATES-UHFFFAOYSA-N -1 1 389.886 3.481 20 5 GGBDMM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc(C)cs1 ZINC000104760077 564960210 /nfs/dbraw/zinc/96/02/10/564960210.db2.gz AIXNGLMHUCXGNA-NSHDSACASA-N -1 1 375.859 3.443 20 5 GGBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nc(C(C)(C)C)cs1 ZINC000106893069 564991001 /nfs/dbraw/zinc/99/10/01/564991001.db2.gz QRQCAOZWQJXNFC-QMMMGPOBSA-N -1 1 375.497 3.450 20 5 GGBDMM O=C(c1ccc(Br)c([O-])c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000153700768 565007548 /nfs/dbraw/zinc/00/75/48/565007548.db2.gz JTTFXMVEXQXAGZ-UHFFFAOYSA-N -1 1 377.194 3.261 20 5 GGBDMM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000108759263 565016377 /nfs/dbraw/zinc/01/63/77/565016377.db2.gz JOLMGPLVFMQOTA-UHFFFAOYSA-N -1 1 393.165 3.436 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCOc2ccccc21 ZINC000155408973 565067131 /nfs/dbraw/zinc/06/71/31/565067131.db2.gz ABTDKXWXEOFOOH-ZDUSSCGKSA-N -1 1 382.825 3.440 20 5 GGBDMM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000155625149 565070128 /nfs/dbraw/zinc/07/01/28/565070128.db2.gz RAFXVOFOAQJHGO-UHFFFAOYSA-N -1 1 397.132 3.480 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)cc1 ZINC000156381002 565084589 /nfs/dbraw/zinc/08/45/89/565084589.db2.gz FOADYKOGEZAUPM-UHFFFAOYSA-N -1 1 393.165 3.436 20 5 GGBDMM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 ZINC000291925165 565086193 /nfs/dbraw/zinc/08/61/93/565086193.db2.gz LLIKPOMNGPXYGZ-UHFFFAOYSA-N -1 1 394.236 3.239 20 5 GGBDMM CC(C)c1cc([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[nH]n1 ZINC000160656601 565255858 /nfs/dbraw/zinc/25/58/58/565255858.db2.gz JQXNIEOAFSPJBC-UHFFFAOYSA-N -1 1 389.231 3.005 20 5 GGBDMM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000186475703 565262327 /nfs/dbraw/zinc/26/23/27/565262327.db2.gz XIKAJLHJQGEFGX-QMMMGPOBSA-N -1 1 375.859 3.095 20 5 GGBDMM Cc1nn(C)c(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)c1[N+](=O)[O-] ZINC000170803613 565392955 /nfs/dbraw/zinc/39/29/55/565392955.db2.gz VZLFBGFRUQKWEF-UHFFFAOYSA-N -1 1 378.801 3.061 20 5 GGBDMM CCN(Cc1cc(Br)ccc1F)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188336965 565395975 /nfs/dbraw/zinc/39/59/75/565395975.db2.gz DSODALNJNGEXKX-UHFFFAOYSA-N -1 1 398.188 3.259 20 5 GGBDMM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000303182493 565568853 /nfs/dbraw/zinc/56/88/53/565568853.db2.gz KOURQLNJKJLIIK-GXSJLCMTSA-N -1 1 377.260 3.214 20 5 GGBDMM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)cc21 ZINC000191227787 565590306 /nfs/dbraw/zinc/59/03/06/565590306.db2.gz LCPLLRHRKPPXSW-UHFFFAOYSA-N -1 1 384.772 3.317 20 5 GGBDMM CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000173835998 565591904 /nfs/dbraw/zinc/59/19/04/565591904.db2.gz XZDBFCXOVVDBFW-QMMMGPOBSA-N -1 1 395.384 3.500 20 5 GGBDMM COc1cccc(Cc2nnc([N-]C(=O)c3csc([N+](=O)[O-])c3)s2)c1 ZINC000410296921 565675403 /nfs/dbraw/zinc/67/54/03/565675403.db2.gz HEFALTJYNPSQFP-UHFFFAOYSA-N -1 1 376.419 3.360 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C1CCC(F)(F)CC1 ZINC000330526981 565710804 /nfs/dbraw/zinc/71/08/04/565710804.db2.gz KLFHKAAKBBMVNB-UHFFFAOYSA-N -1 1 399.213 3.214 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc2ncccc2c1 ZINC000193030146 565725862 /nfs/dbraw/zinc/72/58/62/565725862.db2.gz ZGTORGJKOCIOIN-UHFFFAOYSA-N -1 1 377.809 3.275 20 5 GGBDMM Nc1ccc2c(c1)CCC[C@H]2[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000193391421 565749809 /nfs/dbraw/zinc/74/98/09/565749809.db2.gz ITRMNWXZVISXGB-CQSZACIVSA-N -1 1 381.841 3.186 20 5 GGBDMM CCO[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000193538865 565759193 /nfs/dbraw/zinc/75/91/93/565759193.db2.gz LDQCWWBQCMWGIM-HNNXBMFYSA-N -1 1 384.841 3.304 20 5 GGBDMM CCO[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000193538881 565759265 /nfs/dbraw/zinc/75/92/65/565759265.db2.gz LDQCWWBQCMWGIM-OAHLLOKOSA-N -1 1 384.841 3.304 20 5 GGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000176725143 565798771 /nfs/dbraw/zinc/79/87/71/565798771.db2.gz LDKMOHZWAFDPNL-UHFFFAOYSA-N -1 1 378.740 3.336 20 5 GGBDMM COc1ccc(Br)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000195427053 565882758 /nfs/dbraw/zinc/88/27/58/565882758.db2.gz IVMPDQDIFKWTHT-UHFFFAOYSA-N -1 1 387.211 3.167 20 5 GGBDMM COc1cc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000180211742 566044939 /nfs/dbraw/zinc/04/49/39/566044939.db2.gz VKCXLTNEDIYWCI-UHFFFAOYSA-N -1 1 392.220 3.414 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000180284409 566051172 /nfs/dbraw/zinc/05/11/72/566051172.db2.gz LHNDVEJJULBYOS-UHFFFAOYSA-N -1 1 378.193 3.106 20 5 GGBDMM CC(C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nccs1 ZINC000416397980 566062468 /nfs/dbraw/zinc/06/24/68/566062468.db2.gz LLBSDNITPNYCQP-UHFFFAOYSA-N -1 1 395.384 3.284 20 5 GGBDMM CCc1cnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000416411230 566065157 /nfs/dbraw/zinc/06/51/57/566065157.db2.gz IYYVYOKATMLEDR-UHFFFAOYSA-N -1 1 395.384 3.111 20 5 GGBDMM C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F ZINC000416465885 566072054 /nfs/dbraw/zinc/07/20/54/566072054.db2.gz NJTGIAXEGIYFBT-ZCFIWIBFSA-N -1 1 380.266 3.090 20 5 GGBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000416535317 566082481 /nfs/dbraw/zinc/08/24/81/566082481.db2.gz ISUNONBWOYKXFY-MRVPVSSYSA-N -1 1 387.870 3.233 20 5 GGBDMM C[C@@H](CCCc1cccnc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416536476 566083634 /nfs/dbraw/zinc/08/36/34/566083634.db2.gz LZCWNMGFQNLOMU-LBPRGKRZSA-N -1 1 383.857 3.333 20 5 GGBDMM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180859719 566093977 /nfs/dbraw/zinc/09/39/77/566093977.db2.gz MMMWNVRWZJOLOK-UHFFFAOYSA-N -1 1 384.242 3.319 20 5 GGBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)s1 ZINC000289801082 566141718 /nfs/dbraw/zinc/14/17/18/566141718.db2.gz JJCRFOGNYUQYAP-RXMQYKEDSA-N -1 1 397.265 3.101 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)s1 ZINC000181594580 566151531 /nfs/dbraw/zinc/15/15/31/566151531.db2.gz UZLVMYJCOCIUOM-BXUZGUMPSA-N -1 1 388.854 3.118 20 5 GGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C1CCCC1)C(F)(F)F ZINC000182790992 566224280 /nfs/dbraw/zinc/22/42/80/566224280.db2.gz XXGBEEPWONGPAH-ZDUSSCGKSA-N -1 1 382.360 3.003 20 5 GGBDMM Cc1cc(Br)c([O-])c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000182929798 566230276 /nfs/dbraw/zinc/23/02/76/566230276.db2.gz WLTXNYQTDWDMKB-UHFFFAOYSA-N -1 1 381.182 3.389 20 5 GGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F ZINC000183300407 566243265 /nfs/dbraw/zinc/24/32/65/566243265.db2.gz BWSDQSKFNYBMQI-LBPRGKRZSA-N -1 1 384.376 3.249 20 5 GGBDMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000575219698 566261511 /nfs/dbraw/zinc/26/15/11/566261511.db2.gz HRPFWVRGNGIPKE-UHFFFAOYSA-N -1 1 390.755 3.412 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCN1CCCCCC1 ZINC000462428943 566301410 /nfs/dbraw/zinc/30/14/10/566301410.db2.gz OFLCGSVNNUEJRE-UHFFFAOYSA-N -1 1 396.296 3.056 20 5 GGBDMM COc1nc(C)c(Br)cc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000446005856 566323119 /nfs/dbraw/zinc/32/31/19/566323119.db2.gz TWXLZCPPGHRMAK-UHFFFAOYSA-N -1 1 380.158 3.114 20 5 GGBDMM O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000462624114 566334050 /nfs/dbraw/zinc/33/40/50/566334050.db2.gz MNYRNHMNBPSPIA-MJHDQNEOSA-N -1 1 392.209 3.134 20 5 GGBDMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000462699125 566342920 /nfs/dbraw/zinc/34/29/20/566342920.db2.gz GXQKISREUVMPPA-SNVBAGLBSA-N -1 1 388.804 3.133 20 5 GGBDMM COc1cc(SC)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000446622185 566359904 /nfs/dbraw/zinc/35/99/04/566359904.db2.gz ZJHDAOAZVDTLGZ-UHFFFAOYSA-N -1 1 384.435 3.140 20 5 GGBDMM CSCCN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000446840416 566368453 /nfs/dbraw/zinc/36/84/53/566368453.db2.gz GEUJGOKCAQMUJZ-UHFFFAOYSA-N -1 1 381.479 3.195 20 5 GGBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1-c1cccs1 ZINC000446957895 566373637 /nfs/dbraw/zinc/37/36/37/566373637.db2.gz BPNLKOFEKLCBDE-UHFFFAOYSA-N -1 1 378.435 3.410 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@@H]1CCSC1 ZINC000463081546 566383150 /nfs/dbraw/zinc/38/31/50/566383150.db2.gz KCPXYAHGDXEPQD-CYBMUJFWSA-N -1 1 379.463 3.313 20 5 GGBDMM CSc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1C ZINC000536990299 566415990 /nfs/dbraw/zinc/41/59/90/566415990.db2.gz ULKUFPKPLNYENM-UHFFFAOYSA-N -1 1 382.419 3.124 20 5 GGBDMM O=C(NCCCOc1ccc(Cl)cc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484265284 566421694 /nfs/dbraw/zinc/42/16/94/566421694.db2.gz DHFPONYRIOTVOK-UHFFFAOYSA-N -1 1 386.191 3.201 20 5 GGBDMM Cc1c([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cccc1[N+](=O)[O-] ZINC000447779700 566428948 /nfs/dbraw/zinc/42/89/48/566428948.db2.gz UNDMXWVUNQQPOS-UHFFFAOYSA-N -1 1 376.312 3.445 20 5 GGBDMM CC(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1(C)C ZINC000463859428 566438749 /nfs/dbraw/zinc/43/87/49/566438749.db2.gz NTQMTIUQFBSVRR-STQMWFEESA-N -1 1 376.862 3.119 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 ZINC000484783204 566454894 /nfs/dbraw/zinc/45/48/94/566454894.db2.gz AZQAKHGBBWKZFM-ONGXEEELSA-N -1 1 384.351 3.381 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C(F)(F)F)c(F)c1 ZINC000484783201 566455032 /nfs/dbraw/zinc/45/50/32/566455032.db2.gz AZQAKHGBBWKZFM-GXSJLCMTSA-N -1 1 384.351 3.381 20 5 GGBDMM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000464358728 566468954 /nfs/dbraw/zinc/46/89/54/566468954.db2.gz GTFKNOBMXWXAAB-LURJTMIESA-N -1 1 380.266 3.233 20 5 GGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(SCCO)c([N+](=O)[O-])c2)c(C)c1 ZINC000603474609 566529469 /nfs/dbraw/zinc/52/94/69/566529469.db2.gz AFVMUVUSCRNFKB-UHFFFAOYSA-N -1 1 382.463 3.097 20 5 GGBDMM CCOC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCSC2 ZINC000603820775 566540615 /nfs/dbraw/zinc/54/06/15/566540615.db2.gz PANLWBSMPUBICV-UHFFFAOYSA-N -1 1 382.419 3.468 20 5 GGBDMM Cc1sc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)n[nH]2)cc1[N+](=O)[O-] ZINC000466961249 566610150 /nfs/dbraw/zinc/61/01/50/566610150.db2.gz HYFYZWQBEPYBQF-UHFFFAOYSA-N -1 1 378.435 3.464 20 5 GGBDMM Cc1sc(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000467405322 566644989 /nfs/dbraw/zinc/64/49/89/566644989.db2.gz PJDSAVVCYBXLCD-UHFFFAOYSA-N -1 1 380.369 3.462 20 5 GGBDMM O=C(Nc1nnn[n-]1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000467792080 566667724 /nfs/dbraw/zinc/66/77/24/566667724.db2.gz AEMDNKSOEZYXQO-UHFFFAOYSA-N -1 1 376.785 3.165 20 5 GGBDMM O=C(Nc1nn[n-]n1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000467792080 566667728 /nfs/dbraw/zinc/66/77/28/566667728.db2.gz AEMDNKSOEZYXQO-UHFFFAOYSA-N -1 1 376.785 3.165 20 5 GGBDMM Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000467793009 566668405 /nfs/dbraw/zinc/66/84/05/566668405.db2.gz OJRGLCQYXLHEQG-XJKSGUPXSA-N -1 1 382.463 3.163 20 5 GGBDMM CCN(Cc1ccccc1Br)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000467807110 566669601 /nfs/dbraw/zinc/66/96/01/566669601.db2.gz WHWLKONZWJUHRX-UHFFFAOYSA-N -1 1 380.198 3.120 20 5 GGBDMM COc1ccc(Br)cc1[C@H](NCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000426741396 566727367 /nfs/dbraw/zinc/72/73/67/566727367.db2.gz FFPHBVLTSOYLRQ-HNNXBMFYSA-N -1 1 395.209 3.281 20 5 GGBDMM COc1ccc(Br)cc1[C@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000426750137 566727850 /nfs/dbraw/zinc/72/78/50/566727850.db2.gz LJFQLFPSGJUVSY-HNNXBMFYSA-N -1 1 395.209 3.281 20 5 GGBDMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000426826698 566733591 /nfs/dbraw/zinc/73/35/91/566733591.db2.gz UHUHLVPQNIXVNS-OAHLLOKOSA-N -1 1 395.209 3.281 20 5 GGBDMM Cc1cccc(CC[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000488698564 566741439 /nfs/dbraw/zinc/74/14/39/566741439.db2.gz KTKJGFNVDXERAY-UHFFFAOYSA-N -1 1 399.266 3.187 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1cccc(Cl)c1 ZINC000516787832 566782956 /nfs/dbraw/zinc/78/29/56/566782956.db2.gz PWYYUKGJVOHXAF-UHFFFAOYSA-N -1 1 375.233 3.423 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc2c(c1)CCCN2 ZINC000582062272 566827246 /nfs/dbraw/zinc/82/72/46/566827246.db2.gz ANNCGULYHMWYGR-UHFFFAOYSA-N -1 1 381.841 3.085 20 5 GGBDMM CC[C@H](CN1CCCC1)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000610576945 566844747 /nfs/dbraw/zinc/84/47/47/566844747.db2.gz KIYKROSMNBTDBC-LLVKDONJSA-N -1 1 396.296 3.054 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1c(F)c(F)cc(F)c1F ZINC000610591696 566847358 /nfs/dbraw/zinc/84/73/58/566847358.db2.gz NOALPQKNANOJHA-UHFFFAOYSA-N -1 1 398.721 3.283 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1COc2c1cccc2Cl ZINC000610711746 566855860 /nfs/dbraw/zinc/85/58/60/566855860.db2.gz BDYJWPBBYSRSEO-NSHDSACASA-N -1 1 389.216 3.314 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1COc2c1cccc2Cl ZINC000610711753 566856542 /nfs/dbraw/zinc/85/65/42/566856542.db2.gz BOPITBVYWKNLEQ-LLVKDONJSA-N -1 1 389.216 3.314 20 5 GGBDMM COCCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000518081142 566865505 /nfs/dbraw/zinc/86/55/05/566865505.db2.gz SRRUHQDANWFWCT-UHFFFAOYSA-N -1 1 386.813 3.074 20 5 GGBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2cccc(Cl)c2Cl)c([N+](=O)[O-])n1 ZINC000611107603 566891507 /nfs/dbraw/zinc/89/15/07/566891507.db2.gz WAZYTYQAIHJTKK-QMMMGPOBSA-N -1 1 393.252 3.158 20 5 GGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ncccc2Br)c1 ZINC000543640219 566896367 /nfs/dbraw/zinc/89/63/67/566896367.db2.gz UYYWGDAAWSWUCV-UHFFFAOYSA-N -1 1 386.227 3.170 20 5 GGBDMM CC(C)(C)OC(=O)CCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000611343083 566913121 /nfs/dbraw/zinc/91/31/21/566913121.db2.gz RJEDMAZXWXIDAV-UHFFFAOYSA-N -1 1 392.861 3.039 20 5 GGBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000471115030 566929167 /nfs/dbraw/zinc/92/91/67/566929167.db2.gz UWEWNHKTEFPBHJ-UHFFFAOYSA-N -1 1 391.188 3.401 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1 ZINC000429910250 566966425 /nfs/dbraw/zinc/96/64/25/566966425.db2.gz NCRILZCMGIEBIJ-MRVPVSSYSA-N -1 1 399.213 3.071 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000429981753 566972525 /nfs/dbraw/zinc/97/25/25/566972525.db2.gz ZVSMZZLUXFPYKG-MRVPVSSYSA-N -1 1 388.314 3.327 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)c(F)c1 ZINC000519891465 566977133 /nfs/dbraw/zinc/97/71/33/566977133.db2.gz AUNXUFZOHBEADN-UHFFFAOYSA-N -1 1 378.303 3.231 20 5 GGBDMM COC1CCC(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000544671627 566980186 /nfs/dbraw/zinc/98/01/86/566980186.db2.gz OYTDXPHWFTWACQ-UHFFFAOYSA-N -1 1 376.862 3.122 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cccc(I)c3)no2)[n-]1 ZINC000612888996 567003200 /nfs/dbraw/zinc/00/32/00/567003200.db2.gz NTNJDEOLDCNPDY-UHFFFAOYSA-N -1 1 382.117 3.245 20 5 GGBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000494613475 567011976 /nfs/dbraw/zinc/01/19/76/567011976.db2.gz FPOJUOYNDCBCQN-UHFFFAOYSA-N -1 1 376.312 3.337 20 5 GGBDMM COc1nc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2s1 ZINC000430977839 567043678 /nfs/dbraw/zinc/04/36/78/567043678.db2.gz HERLKWWODHKJSB-UHFFFAOYSA-N -1 1 379.419 3.322 20 5 GGBDMM COC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1Cl ZINC000431183879 567063305 /nfs/dbraw/zinc/06/33/05/567063305.db2.gz RANJACTUEJWTMM-UHFFFAOYSA-N -1 1 390.826 3.206 20 5 GGBDMM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000524548786 567202515 /nfs/dbraw/zinc/20/25/15/567202515.db2.gz YETCIIRUDJVKMV-UHFFFAOYSA-N -1 1 382.419 3.124 20 5 GGBDMM COc1cc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1C ZINC000524637739 567208256 /nfs/dbraw/zinc/20/82/56/567208256.db2.gz RRPUTMDNMBDSIF-UHFFFAOYSA-N -1 1 384.841 3.086 20 5 GGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000590760485 567244925 /nfs/dbraw/zinc/24/49/25/567244925.db2.gz XHDMWQUVORHYKW-AWEZNQCLSA-N -1 1 385.804 3.212 20 5 GGBDMM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000547880602 567255894 /nfs/dbraw/zinc/25/58/94/567255894.db2.gz SFMLHBRNKNJUQL-UHFFFAOYSA-N -1 1 384.797 3.364 20 5 GGBDMM CC(C)(C)C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000547888864 567256434 /nfs/dbraw/zinc/25/64/34/567256434.db2.gz CKWJOYVWJIHDCZ-SECBINFHSA-N -1 1 399.252 3.069 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)c([N+](=O)[O-])c1 ZINC000476487969 567328810 /nfs/dbraw/zinc/32/88/10/567328810.db2.gz WTEMTAAQTDBXQX-UHFFFAOYSA-N -1 1 384.797 3.260 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCc2ccc(F)c(F)c2)s1 ZINC000476573610 567335757 /nfs/dbraw/zinc/33/57/57/567335757.db2.gz MDVDHGNRBSIPMH-UHFFFAOYSA-N -1 1 376.406 3.236 20 5 GGBDMM COc1ccc([C@H]2C[C@H]([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)cc1F ZINC000501480771 567391387 /nfs/dbraw/zinc/39/13/87/567391387.db2.gz ROAJCZWGVKHONY-XYPYZODXSA-N -1 1 386.426 3.029 20 5 GGBDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000436184404 567412369 /nfs/dbraw/zinc/41/23/69/567412369.db2.gz KLVCZWMIJGMMGI-CYBMUJFWSA-N -1 1 388.804 3.053 20 5 GGBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(Br)cc1[O-] ZINC000436567995 567435089 /nfs/dbraw/zinc/43/50/89/567435089.db2.gz ZNULCMZYJJCKDU-UHFFFAOYSA-N -1 1 381.182 3.002 20 5 GGBDMM CS(=O)(=O)[N-]c1ccc(Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cn1 ZINC000550345147 567443184 /nfs/dbraw/zinc/44/31/84/567443184.db2.gz DDTYOHGXIIYXBT-UHFFFAOYSA-N -1 1 377.300 3.172 20 5 GGBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F ZINC000619495436 567460473 /nfs/dbraw/zinc/46/04/73/567460473.db2.gz SNZBTXSMXMUTRY-LLVKDONJSA-N -1 1 384.376 3.249 20 5 GGBDMM CC(C)C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000478781764 567483304 /nfs/dbraw/zinc/48/33/04/567483304.db2.gz FTMBRYJPDLTFDX-OCCSQVGLSA-N -1 1 376.862 3.120 20 5 GGBDMM CC(C)C[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000478781762 567483395 /nfs/dbraw/zinc/48/33/95/567483395.db2.gz FTMBRYJPDLTFDX-GXTWGEPZSA-N -1 1 376.862 3.120 20 5 GGBDMM Cn1cnnc1Sc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000503682196 567501113 /nfs/dbraw/zinc/50/11/13/567501113.db2.gz VASJOLUTHCTSGY-UHFFFAOYSA-N -1 1 378.801 3.108 20 5 GGBDMM CCSCC[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000437709043 567506770 /nfs/dbraw/zinc/50/67/70/567506770.db2.gz OCZWKLMUZWQOJF-VIFPVBQESA-N -1 1 397.316 3.167 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCOc2ccccc21 ZINC000504544603 567540160 /nfs/dbraw/zinc/54/01/60/567540160.db2.gz BKXPIQVTRKTKSK-ZDUSSCGKSA-N -1 1 382.825 3.440 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1nc(-c2cccs2)c[nH]1 ZINC000439201277 567571955 /nfs/dbraw/zinc/57/19/55/567571955.db2.gz SNBDPXCHYMMAAW-UHFFFAOYSA-N -1 1 398.853 3.178 20 5 GGBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000439201298 567572400 /nfs/dbraw/zinc/57/24/00/567572400.db2.gz SRMPUGRWLBWILN-MRVPVSSYSA-N -1 1 376.221 3.336 20 5 GGBDMM CCc1[n-][nH]c(=NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1Br ZINC000480019865 567575647 /nfs/dbraw/zinc/57/56/47/567575647.db2.gz QUOMDXFJUKLZGU-UHFFFAOYSA-N -1 1 379.170 3.063 20 5 GGBDMM CCN(Cc1ccccc1Br)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000439548140 567591487 /nfs/dbraw/zinc/59/14/87/567591487.db2.gz KEWNPNBOJVYBSZ-UHFFFAOYSA-N -1 1 380.198 3.120 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCc2c(O)cccc21 ZINC000480840541 567635607 /nfs/dbraw/zinc/63/56/07/567635607.db2.gz FMOGBCOGBCJFIJ-CYBMUJFWSA-N -1 1 382.825 3.310 20 5 GGBDMM O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506772656 567643363 /nfs/dbraw/zinc/64/33/63/567643363.db2.gz CWYLURLYBOUXEM-UHFFFAOYSA-N -1 1 377.154 3.192 20 5 GGBDMM COC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC(C)CC1 ZINC000480985729 567648963 /nfs/dbraw/zinc/64/89/63/567648963.db2.gz VEZOJQNAUDFCNY-UHFFFAOYSA-N -1 1 376.862 3.122 20 5 GGBDMM Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc(C)c1Cl ZINC000442217619 567686339 /nfs/dbraw/zinc/68/63/39/567686339.db2.gz JZMOXCFBUIEYLO-UHFFFAOYSA-N -1 1 384.797 3.364 20 5 GGBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)CCc2ccccc2Br)cc1 ZINC000461117066 567722382 /nfs/dbraw/zinc/72/23/82/567722382.db2.gz PALHMCHEQJXBFW-UHFFFAOYSA-N -1 1 385.239 3.342 20 5 GGBDMM O=C([N-]c1nc2ccc(Cl)cn2n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000508316977 567742876 /nfs/dbraw/zinc/74/28/76/567742876.db2.gz HFVSEYNLIVTMHG-UHFFFAOYSA-N -1 1 396.588 3.306 20 5 GGBDMM Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000508385564 567745741 /nfs/dbraw/zinc/74/57/41/567745741.db2.gz WWHFDWRIZAFRTP-UHFFFAOYSA-N -1 1 390.197 3.338 20 5 GGBDMM Cc1ccc(F)c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1C(=O)[O-] ZINC000534146658 567801495 /nfs/dbraw/zinc/80/14/95/567801495.db2.gz IRCNECFSOPITOZ-UHFFFAOYSA-N -1 1 388.760 3.195 20 5 GGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)c1C ZINC000007325353 570829684 /nfs/dbraw/zinc/82/96/84/570829684.db2.gz KMDJLKSWVBAJBZ-UHFFFAOYSA-N -1 1 378.406 3.174 20 5 GGBDMM COc1cc(CN[C@H](C(=O)[O-])c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000737885866 599783089 /nfs/dbraw/zinc/78/30/89/599783089.db2.gz KMQAHULYFIWGHQ-HNNXBMFYSA-N -1 1 382.319 3.120 20 5 GGBDMM COc1cc(CN[C@@H](C(=O)[O-])c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000737885867 599783194 /nfs/dbraw/zinc/78/31/94/599783194.db2.gz KMQAHULYFIWGHQ-OAHLLOKOSA-N -1 1 382.319 3.120 20 5 GGBDMM C[C@H](CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1)C(=O)[O-] ZINC000736583189 599888451 /nfs/dbraw/zinc/88/84/51/599888451.db2.gz LJVOQWYDKLRWQV-CQSZACIVSA-N -1 1 396.403 3.368 20 5 GGBDMM C[C@@H](CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1)C(=O)[O-] ZINC000736583188 599888461 /nfs/dbraw/zinc/88/84/61/599888461.db2.gz LJVOQWYDKLRWQV-AWEZNQCLSA-N -1 1 396.403 3.368 20 5 GGBDMM O=C([O-])c1sc2ccccc2c1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000740281121 599937936 /nfs/dbraw/zinc/93/79/36/599937936.db2.gz QAHHQBSSNAHAJZ-UHFFFAOYSA-N -1 1 398.444 3.225 20 5 GGBDMM O=C([O-])CCSCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000739754105 600069973 /nfs/dbraw/zinc/06/99/73/600069973.db2.gz ZATPMMJBWNXBNP-UHFFFAOYSA-N -1 1 396.446 3.104 20 5 GGBDMM C[C@@](NCc1ccccc1[N+](=O)[O-])(C(=O)[O-])c1cccc(Br)c1 ZINC000736664679 600078852 /nfs/dbraw/zinc/07/88/52/600078852.db2.gz QLOUVIUOLHEYNQ-INIZCTEOSA-N -1 1 379.210 3.447 20 5 GGBDMM COc1ccc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000593747167 600327665 /nfs/dbraw/zinc/32/76/65/600327665.db2.gz UTIIMICXOYFPME-UHFFFAOYSA-N -1 1 380.347 3.359 20 5 GGBDMM Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000263376164 600373922 /nfs/dbraw/zinc/37/39/22/600373922.db2.gz WPZIKNBXOVTVIR-RDTXWAMCSA-N -1 1 385.420 3.236 20 5 GGBDMM Cc1cc(S(=O)(=O)Nc2cccc(CSCC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000738477702 600613168 /nfs/dbraw/zinc/61/31/68/600613168.db2.gz CDGBVIZZHLXFEX-UHFFFAOYSA-N -1 1 396.446 3.022 20 5 GGBDMM C[C@@H](CN(Cc1ccccc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000736581746 600685142 /nfs/dbraw/zinc/68/51/42/600685142.db2.gz DAGSWEFQULZBTD-HNNXBMFYSA-N -1 1 395.419 3.034 20 5 GGBDMM C[C@@H](CN(Cc1ccccc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000736585052 600685679 /nfs/dbraw/zinc/68/56/79/600685679.db2.gz RQMRUAOJGIPCRI-HNNXBMFYSA-N -1 1 395.419 3.034 20 5 GGBDMM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000485217027 600690670 /nfs/dbraw/zinc/69/06/70/600690670.db2.gz PFPAOGKQCIPPKY-UHFFFAOYSA-N -1 1 390.295 3.113 20 5 GGBDMM CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000830524393 600984115 /nfs/dbraw/zinc/98/41/15/600984115.db2.gz XIGACYWEFGUEIY-GOSISDBHSA-N -1 1 397.431 3.030 20 5 GGBDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000832905473 600993982 /nfs/dbraw/zinc/99/39/82/600993982.db2.gz NXXNCHQDPBVWAX-HNNXBMFYSA-N -1 1 385.420 3.065 20 5 GGBDMM O=C([O-])[C@@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccc(Br)cc1 ZINC000833170616 601353966 /nfs/dbraw/zinc/35/39/66/601353966.db2.gz ZMYSACYSORYGMR-AWEZNQCLSA-N -1 1 383.173 3.412 20 5 GGBDMM O=C([O-])[C@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccc(Br)cc1 ZINC000833170618 601353974 /nfs/dbraw/zinc/35/39/74/601353974.db2.gz ZMYSACYSORYGMR-CQSZACIVSA-N -1 1 383.173 3.412 20 5 GGBDMM Cc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@H](C)[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000832941976 601527693 /nfs/dbraw/zinc/52/76/93/601527693.db2.gz PYSQEBLBIWBMTC-QOKNQOGYSA-N -1 1 397.431 3.236 20 5 GGBDMM O=C([O-])c1cc([N+](=O)[O-])c(N2CCN(CCc3cccs3)CC2)cc1Cl ZINC000833307028 602253608 /nfs/dbraw/zinc/25/36/08/602253608.db2.gz KAQRBFBVMMSNFM-UHFFFAOYSA-N -1 1 395.868 3.373 20 5 GGBDMM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000833421538 604948282 /nfs/dbraw/zinc/94/82/82/604948282.db2.gz QZEXZLBKXHJOLP-NSHDSACASA-N -1 1 383.832 3.010 20 5 GGBDMM CC(C)(C)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000833448929 605324530 /nfs/dbraw/zinc/32/45/30/605324530.db2.gz KJVJESIQJYRCAP-UHFFFAOYSA-N -1 1 378.406 3.391 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(c2ccc(F)cc2)CCCC1 ZINC000823619741 606698643 /nfs/dbraw/zinc/69/86/43/606698643.db2.gz AISZMXLFPVXTAC-UHFFFAOYSA-N -1 1 383.387 3.233 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(c2ccc(F)cc2)CCCC1 ZINC000823619741 606698644 /nfs/dbraw/zinc/69/86/44/606698644.db2.gz AISZMXLFPVXTAC-UHFFFAOYSA-N -1 1 383.387 3.233 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1nc2cc(Cl)ccc2s1 ZINC000823624713 606703890 /nfs/dbraw/zinc/70/38/90/606703890.db2.gz FYMYNEQZGZZJBA-UHFFFAOYSA-N -1 1 388.800 3.045 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1nc2cc(Cl)ccc2s1 ZINC000823624713 606703892 /nfs/dbraw/zinc/70/38/92/606703892.db2.gz FYMYNEQZGZZJBA-UHFFFAOYSA-N -1 1 388.800 3.045 20 5 GGBDMM CC(C)(C)OCc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000819950247 606706355 /nfs/dbraw/zinc/70/63/55/606706355.db2.gz GFNYUYOREUCOJX-UHFFFAOYSA-N -1 1 383.412 3.097 20 5 GGBDMM CC(C)(C)OCc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000819950247 606706357 /nfs/dbraw/zinc/70/63/57/606706357.db2.gz GFNYUYOREUCOJX-UHFFFAOYSA-N -1 1 383.412 3.097 20 5 GGBDMM CC1CCN(c2cccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])c2)CC1 ZINC000820727513 606711997 /nfs/dbraw/zinc/71/19/97/606711997.db2.gz MLNPLLYUVFYOPO-UHFFFAOYSA-N -1 1 380.412 3.150 20 5 GGBDMM CC1CCN(c2cccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])c2)CC1 ZINC000820727513 606711999 /nfs/dbraw/zinc/71/19/99/606711999.db2.gz MLNPLLYUVFYOPO-UHFFFAOYSA-N -1 1 380.412 3.150 20 5 GGBDMM CC[C@@H](C)Oc1cc(C)ccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820875425 606719513 /nfs/dbraw/zinc/71/95/13/606719513.db2.gz AERPPHZOULEVSV-GFCCVEGCSA-N -1 1 383.412 3.268 20 5 GGBDMM CC[C@@H](C)Oc1cc(C)ccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820875425 606719514 /nfs/dbraw/zinc/71/95/14/606719514.db2.gz AERPPHZOULEVSV-GFCCVEGCSA-N -1 1 383.412 3.268 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1ccc(Br)cc1 ZINC000823629799 607162244 /nfs/dbraw/zinc/16/22/44/607162244.db2.gz HJWGJOPYJNYSAS-UHFFFAOYSA-N -1 1 379.199 3.084 20 5 GGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1ccc(Br)cc1 ZINC000823629799 607162245 /nfs/dbraw/zinc/16/22/45/607162245.db2.gz HJWGJOPYJNYSAS-UHFFFAOYSA-N -1 1 379.199 3.084 20 5 GGBDMM CC1=CCN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3CC=C(C)CC3)c2)CC1 ZINC000824858729 607903680 /nfs/dbraw/zinc/90/36/80/607903680.db2.gz MFGFNQVIKVSWJV-UHFFFAOYSA-N -1 1 381.440 3.088 20 5 GGBDMM CC1=CCN(c2cc(-c3nn[n-]n3)c([N+](=O)[O-])c(N3CC=C(C)CC3)c2)CC1 ZINC000824858729 607903681 /nfs/dbraw/zinc/90/36/81/607903681.db2.gz MFGFNQVIKVSWJV-UHFFFAOYSA-N -1 1 381.440 3.088 20 5 GGBDMM O=Cc1cc(Cl)c(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1Cl ZINC000826484205 607967642 /nfs/dbraw/zinc/96/76/42/607967642.db2.gz SAIYRXMXZDTQDY-UHFFFAOYSA-N -1 1 381.135 3.082 20 5 GGBDMM O=Cc1cc(Cl)c(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1Cl ZINC000826484205 607967643 /nfs/dbraw/zinc/96/76/43/607967643.db2.gz SAIYRXMXZDTQDY-UHFFFAOYSA-N -1 1 381.135 3.082 20 5 GGBDMM CCOc1cc(C(=O)[N-]c2nnc(-c3ccco3)s2)c([N+](=O)[O-])cc1OC ZINC000053209871 1406325794 /nfs/dbraw/zinc/32/57/94/1406325794.db2.gz CFDJGVIKXQRWEC-UHFFFAOYSA-N -1 1 390.377 3.366 20 5 GGBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3ccco3)s2)cc1OC ZINC000053209953 1406326034 /nfs/dbraw/zinc/32/60/34/1406326034.db2.gz PCPIQQARLUATPG-UHFFFAOYSA-N -1 1 390.377 3.366 20 5 GGBDMM O=c1ccc2cc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2o1 ZINC000054294315 1406684220 /nfs/dbraw/zinc/68/42/20/1406684220.db2.gz VHZOSWUJDOVSTR-UHFFFAOYSA-N -1 1 380.765 3.155 20 5 GGBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1F ZINC000007405684 1398668649 /nfs/dbraw/zinc/66/86/49/1398668649.db2.gz FURUFFSCVOEMCS-UHFFFAOYSA-N -1 1 380.275 3.433 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc1[N+](=O)[O-] ZINC000007442917 1398679538 /nfs/dbraw/zinc/67/95/38/1398679538.db2.gz ZZQJKINRXGDPLT-UHFFFAOYSA-N -1 1 392.220 3.293 20 5 GGBDMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000007708608 1398733759 /nfs/dbraw/zinc/73/37/59/1398733759.db2.gz MNYZJLMJJBVPQD-UHFFFAOYSA-N -1 1 395.824 3.176 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCCc1ccccn1 ZINC000008149208 1398808589 /nfs/dbraw/zinc/80/85/89/1398808589.db2.gz WBTHEDBRAIQRDM-UHFFFAOYSA-N -1 1 398.444 3.445 20 5 GGBDMM CCc1cc2c(COC(=O)c3ccc(NC)c([N+](=O)[O-])c3)cc(=O)oc2cc1[O-] ZINC000009924507 1398871206 /nfs/dbraw/zinc/87/12/06/1398871206.db2.gz HKKXTVBBKCKCPE-UHFFFAOYSA-N -1 1 398.371 3.368 20 5 GGBDMM COc1cc(CCNC(=O)c2cc3ccccc3cc2[O-])c([N+](=O)[O-])cc1OC ZINC000011081125 1398949096 /nfs/dbraw/zinc/94/90/96/1398949096.db2.gz OZBAMKSKNOFOJX-UHFFFAOYSA-N -1 1 396.399 3.443 20 5 GGBDMM COc1cc(CCNC(=O)c2ccc3ccccc3c2[O-])c([N+](=O)[O-])cc1OC ZINC000011081729 1398949120 /nfs/dbraw/zinc/94/91/20/1398949120.db2.gz IDDGTNDJEXBZOJ-UHFFFAOYSA-N -1 1 396.399 3.443 20 5 GGBDMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000011443226 1398981320 /nfs/dbraw/zinc/98/13/20/1398981320.db2.gz PQAPPMBUZQWLAR-VIFPVBQESA-N -1 1 396.856 3.403 20 5 GGBDMM CCc1cc2c(COC(=O)c3cc([N+](=O)[O-])ccc3OC)cc(=O)oc2cc1[O-] ZINC000019284949 1399329086 /nfs/dbraw/zinc/32/90/86/1399329086.db2.gz SDENNSZJCMEDSB-UHFFFAOYSA-N -1 1 399.355 3.335 20 5 GGBDMM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000055611450 1407024246 /nfs/dbraw/zinc/02/42/46/1407024246.db2.gz RMMNWYVMROQBAG-UHFFFAOYSA-N -1 1 391.449 3.071 20 5 GGBDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000055633266 1407032582 /nfs/dbraw/zinc/03/25/82/1407032582.db2.gz AUJQNKOWEGUUKI-UHFFFAOYSA-N -1 1 394.449 3.257 20 5 GGBDMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(Cl)c([N+](=O)[O-])c3)ccc2o1 ZINC000023873776 1399587867 /nfs/dbraw/zinc/58/78/67/1399587867.db2.gz HDJJMXBVXBOBPY-UHFFFAOYSA-N -1 1 380.765 3.155 20 5 GGBDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2F)n1 ZINC000055649530 1407041520 /nfs/dbraw/zinc/04/15/20/1407041520.db2.gz XSWRPKFPCZZNSJ-UHFFFAOYSA-N -1 1 390.396 3.337 20 5 GGBDMM Cc1nc(C2([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CCCCCC2)no1 ZINC000024689192 1399657651 /nfs/dbraw/zinc/65/76/51/1399657651.db2.gz XLUSNUNRCAUQFM-UHFFFAOYSA-N -1 1 394.453 3.123 20 5 GGBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)ccc1F ZINC000025510126 1399814583 /nfs/dbraw/zinc/81/45/83/1399814583.db2.gz SYIVBHMZJXMYJU-UHFFFAOYSA-N -1 1 381.385 3.110 20 5 GGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)c1C ZINC000028251498 1400142968 /nfs/dbraw/zinc/14/29/68/1400142968.db2.gz DUZBVRFRWJOFFX-UHFFFAOYSA-N -1 1 389.433 3.361 20 5 GGBDMM O=C1CSc2ccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2N1 ZINC000028810107 1400199322 /nfs/dbraw/zinc/19/93/22/1400199322.db2.gz MORATCHYSMGZNM-UHFFFAOYSA-N -1 1 399.837 3.093 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000044245667 1403907092 /nfs/dbraw/zinc/90/70/92/1403907092.db2.gz YSZFXXJRXQBSAO-UHFFFAOYSA-N -1 1 392.618 3.207 20 5 GGBDMM COCCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1C ZINC000047585181 1404873038 /nfs/dbraw/zinc/87/30/38/1404873038.db2.gz XATSULDNOPHYBS-UHFFFAOYSA-N -1 1 380.422 3.038 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H](CCCc2ccccc2)C1 ZINC000826497493 1427716091 /nfs/dbraw/zinc/71/60/91/1427716091.db2.gz JDFIVVMLDSVOJI-INIZCTEOSA-N -1 1 393.451 3.409 20 5 GGBDMM O=[N+]([O-])c1cc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1-c1nnn[n-]1 ZINC000826498045 1427828566 /nfs/dbraw/zinc/82/85/66/1427828566.db2.gz FJNGKCSVZCSQJN-UHFFFAOYSA-N -1 1 396.251 3.096 20 5 GGBDMM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000060443308 1407979039 /nfs/dbraw/zinc/97/90/39/1407979039.db2.gz ZOEXGSOTMBHDKN-UHFFFAOYSA-N -1 1 397.840 3.025 20 5 GGBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1ccsc1 ZINC000061365513 1408115286 /nfs/dbraw/zinc/11/52/86/1408115286.db2.gz YJZLJGGHKJOPEG-MRVPVSSYSA-N -1 1 391.268 3.458 20 5 GGBDMM CCCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)s1 ZINC000066270352 1408800660 /nfs/dbraw/zinc/80/06/60/1408800660.db2.gz DASQXXYIENBMKU-UHFFFAOYSA-N -1 1 378.410 3.203 20 5 GGBDMM O=C([N-]c1nnc(-c2ccsc2)s1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066332263 1408813907 /nfs/dbraw/zinc/81/39/07/1408813907.db2.gz IYILNABVCKJGKA-UHFFFAOYSA-N -1 1 390.402 3.198 20 5 GGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COCCOC)c1 ZINC000067124013 1409013773 /nfs/dbraw/zinc/01/37/73/1409013773.db2.gz OLLINRCNLBPJSM-UHFFFAOYSA-N -1 1 394.449 3.121 20 5 GGBDMM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)c1 ZINC000067123982 1409014209 /nfs/dbraw/zinc/01/42/09/1409014209.db2.gz BHNDWPMRGBMMAO-UHFFFAOYSA-N -1 1 391.449 3.016 20 5 GGBDMM O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000067536286 1409151139 /nfs/dbraw/zinc/15/11/39/1409151139.db2.gz SHNMTUDGVUMHJB-UHFFFAOYSA-N -1 1 383.404 3.105 20 5 GGBDMM CN(Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000736829142 1428391374 /nfs/dbraw/zinc/39/13/74/1428391374.db2.gz URAJAFMSLFJBNT-UHFFFAOYSA-N -1 1 378.314 3.430 20 5 GGBDMM O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000068424384 1409398650 /nfs/dbraw/zinc/39/86/50/1409398650.db2.gz DXVQMZPSUZWFPH-UHFFFAOYSA-N -1 1 391.428 3.343 20 5 GGBDMM CC(C)n1c(C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n[n-]c1=S ZINC000068435322 1409402180 /nfs/dbraw/zinc/40/21/80/1409402180.db2.gz RLHIDUUHGQZNNB-UHFFFAOYSA-N -1 1 375.454 3.450 20 5 GGBDMM CCn1c(C2CCN(C(=O)C=Cc3ccccc3[N+](=O)[O-])CC2)n[n-]c1=S ZINC000068452778 1409407555 /nfs/dbraw/zinc/40/75/55/1409407555.db2.gz MCXMEHOHXBPKJA-BQYQJAHWSA-N -1 1 387.465 3.288 20 5 GGBDMM CC[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820920839 1428417654 /nfs/dbraw/zinc/41/76/54/1428417654.db2.gz TWTFSIFMAYIBKR-HNNXBMFYSA-N -1 1 385.359 3.187 20 5 GGBDMM O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000070904130 1409801141 /nfs/dbraw/zinc/80/11/41/1409801141.db2.gz ITENWXJQZDOZRB-UHFFFAOYSA-N -1 1 389.839 3.348 20 5 GGBDMM Cc1cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1C(=O)OC(C)(C)C ZINC000826271638 1428440347 /nfs/dbraw/zinc/44/03/47/1428440347.db2.gz ZZQQCSPKLFYTEV-UHFFFAOYSA-N -1 1 397.395 3.177 20 5 GGBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(c2n[n-]c(=S)n2C)CC1 ZINC000094122801 1410305522 /nfs/dbraw/zinc/30/55/22/1410305522.db2.gz BBNWFYJMVKFAIF-UHFFFAOYSA-N -1 1 389.481 3.331 20 5 GGBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](c2n[n-]c(=S)n2C)C1 ZINC000094123068 1410306109 /nfs/dbraw/zinc/30/61/09/1410306109.db2.gz KHRUFXGSFDQWNE-CYBMUJFWSA-N -1 1 389.481 3.331 20 5 GGBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCc1n[n-]c(=S)n1C(C)C ZINC000094126082 1410306740 /nfs/dbraw/zinc/30/67/40/1410306740.db2.gz ARIWZOBJVPVKGA-UHFFFAOYSA-N -1 1 377.470 3.328 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ncc(-c2ccccc2)o1 ZINC000101571784 1410469171 /nfs/dbraw/zinc/46/91/71/1410469171.db2.gz XEEFJRXKSSCMKS-UHFFFAOYSA-N -1 1 393.808 3.382 20 5 GGBDMM CCOCc1ccccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101571010 1410469372 /nfs/dbraw/zinc/46/93/72/1410469372.db2.gz HXEZJVYJXOZGBD-UHFFFAOYSA-N -1 1 384.841 3.263 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCN(c2ccccc2)C1 ZINC000101573987 1410469976 /nfs/dbraw/zinc/46/99/76/1410469976.db2.gz ULODUTDVHWEILA-CYBMUJFWSA-N -1 1 395.868 3.053 20 5 GGBDMM CC[C@H](c1nnc([N-]C(=O)c2c([N+](=O)[O-])c(C)nn2C)s1)c1ccccc1 ZINC000106719483 1411286376 /nfs/dbraw/zinc/28/63/76/1411286376.db2.gz ISCHLOGVSDHKFM-LBPRGKRZSA-N -1 1 386.437 3.282 20 5 GGBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(Cc2ccccc2F)s1 ZINC000108206791 1411452126 /nfs/dbraw/zinc/45/21/26/1411452126.db2.gz ZRLFIZDOFCOHQU-UHFFFAOYSA-N -1 1 388.380 3.437 20 5 GGBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1C(=O)NC(C)C ZINC000108762488 1411603011 /nfs/dbraw/zinc/60/30/11/1411603011.db2.gz IWKIGCPLZOIDEJ-UHFFFAOYSA-N -1 1 391.449 3.151 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)cc1 ZINC000177181437 1428618536 /nfs/dbraw/zinc/61/85/36/1428618536.db2.gz WGRDIWMQBPFQQP-UHFFFAOYSA-N -1 1 395.400 3.334 20 5 GGBDMM Cc1cc(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])on1 ZINC000112076818 1412074404 /nfs/dbraw/zinc/07/44/04/1412074404.db2.gz WRWGDFZETLVNQT-UHFFFAOYSA-N -1 1 388.405 3.304 20 5 GGBDMM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000112594977 1412175485 /nfs/dbraw/zinc/17/54/85/1412175485.db2.gz OZNXZWVPOMJAGJ-UHFFFAOYSA-N -1 1 389.324 3.413 20 5 GGBDMM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000115928535 1412816552 /nfs/dbraw/zinc/81/65/52/1412816552.db2.gz IAPPGQZNMFUSEV-UWVGGRQHSA-N -1 1 379.276 3.460 20 5 GGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)c1C ZINC000116711936 1412900425 /nfs/dbraw/zinc/90/04/25/1412900425.db2.gz MWZBXIPUSLDTJD-VWLOTQADSA-N -1 1 396.490 3.199 20 5 GGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)c1C ZINC000116711933 1412901808 /nfs/dbraw/zinc/90/18/08/1412901808.db2.gz MWZBXIPUSLDTJD-RUZDIDTESA-N -1 1 396.490 3.199 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1[N+](=O)[O-] ZINC000118161364 1413117595 /nfs/dbraw/zinc/11/75/95/1413117595.db2.gz YPMSUIXFPIJCBD-UHFFFAOYSA-N -1 1 376.369 3.029 20 5 GGBDMM O=[N+]([O-])c1cccc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)c1 ZINC000826499572 1428729172 /nfs/dbraw/zinc/72/91/72/1428729172.db2.gz NQTOSVYWZVEYBF-UHFFFAOYSA-N -1 1 396.798 3.226 20 5 GGBDMM CC(C)(C)OCc1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000119692923 1413533290 /nfs/dbraw/zinc/53/32/90/1413533290.db2.gz LBGZWINHWUXNOQ-UHFFFAOYSA-N -1 1 384.479 3.450 20 5 GGBDMM COC(=O)c1cc([N-]C(=O)c2cc(-c3ccc(F)cc3)on2)cc([N+](=O)[O-])c1 ZINC000119800827 1413574136 /nfs/dbraw/zinc/57/41/36/1413574136.db2.gz XZYWEQOIJITOEB-UHFFFAOYSA-N -1 1 385.307 3.428 20 5 GGBDMM Cc1cccc([C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c2ccccn2)c1 ZINC000120211966 1413733054 /nfs/dbraw/zinc/73/30/54/1413733054.db2.gz URJFJQAFBNZQFX-QGZVFWFLSA-N -1 1 389.458 3.428 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Br ZINC000120498308 1413830866 /nfs/dbraw/zinc/83/08/66/1413830866.db2.gz NGMLUEPLSUUAGK-UHFFFAOYSA-N -1 1 375.175 3.297 20 5 GGBDMM COc1ccc([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000120505995 1413832586 /nfs/dbraw/zinc/83/25/86/1413832586.db2.gz MZMBDAIFEPVKLN-UHFFFAOYSA-N -1 1 387.211 3.167 20 5 GGBDMM COc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000121354645 1414092680 /nfs/dbraw/zinc/09/26/80/1414092680.db2.gz DATSPOLHFPUKME-UHFFFAOYSA-N -1 1 385.829 3.124 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccnc2Br)c1C ZINC000121394388 1414106233 /nfs/dbraw/zinc/10/62/33/1414106233.db2.gz GGLCPZQCZSNTTH-UHFFFAOYSA-N -1 1 386.227 3.170 20 5 GGBDMM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)cc1Br ZINC000121620268 1414202944 /nfs/dbraw/zinc/20/29/44/1414202944.db2.gz AXAXGFHIGJIUME-UHFFFAOYSA-N -1 1 393.165 3.436 20 5 GGBDMM C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000121948705 1414319351 /nfs/dbraw/zinc/31/93/51/1414319351.db2.gz APRYYJSNJRAQPG-CQSZACIVSA-N -1 1 397.431 3.222 20 5 GGBDMM CCOCCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000122561598 1414501252 /nfs/dbraw/zinc/50/12/52/1414501252.db2.gz OMAYIWJVGXHMFK-UHFFFAOYSA-N -1 1 376.862 3.123 20 5 GGBDMM C[C@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000122678428 1414536162 /nfs/dbraw/zinc/53/61/62/1414536162.db2.gz AQRNZAONMNUYMT-IAQYHMDHSA-N -1 1 384.841 3.039 20 5 GGBDMM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)c1ccc(C)o1 ZINC000124441502 1414969492 /nfs/dbraw/zinc/96/94/92/1414969492.db2.gz YIUIPGILNJAJOQ-GFCCVEGCSA-N -1 1 388.829 3.124 20 5 GGBDMM COc1cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)ccc1[N+](=O)[O-] ZINC000124991599 1415087817 /nfs/dbraw/zinc/08/78/17/1415087817.db2.gz MMBHKGVCARTEAP-UHFFFAOYSA-N -1 1 383.401 3.364 20 5 GGBDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3C)cc2C[C@@H]1C ZINC000125930450 1415315605 /nfs/dbraw/zinc/31/56/05/1415315605.db2.gz CZWWRARRGOJIJP-NSHDSACASA-N -1 1 389.433 3.002 20 5 GGBDMM CN(CCc1cccc2ccccc21)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821605160 1428904855 /nfs/dbraw/zinc/90/48/55/1428904855.db2.gz XRTKJJBINHEEGX-UHFFFAOYSA-N -1 1 375.392 3.002 20 5 GGBDMM CC(C)c1nc([C@@H]2CCCCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)no1 ZINC000824359685 1428950054 /nfs/dbraw/zinc/95/00/54/1428950054.db2.gz ZWMHBXQMLGMOAD-HNNXBMFYSA-N -1 1 398.427 3.403 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)co3)c2)cc1[N+](=O)[O-] ZINC000126828960 1415575030 /nfs/dbraw/zinc/57/50/30/1415575030.db2.gz LMBWOMVKRWENEY-UHFFFAOYSA-N -1 1 389.389 3.368 20 5 GGBDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000826271038 1429010844 /nfs/dbraw/zinc/01/08/44/1429010844.db2.gz ZGYSZGMBWILFDE-UHFFFAOYSA-N -1 1 393.363 3.028 20 5 GGBDMM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1Cl ZINC000820455804 1429025945 /nfs/dbraw/zinc/02/59/45/1429025945.db2.gz NEXGNVVABYPOGA-ANRSDYALSA-N -1 1 392.778 3.101 20 5 GGBDMM C[C@@H](O)C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000128908834 1416098842 /nfs/dbraw/zinc/09/88/42/1416098842.db2.gz FIKMMIMDFPYUNY-OCCSQVGLSA-N -1 1 398.868 3.081 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3C3CCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000826499770 1429047777 /nfs/dbraw/zinc/04/77/77/1429047777.db2.gz WXTSCQPJXXIYHN-KRWDZBQOSA-N -1 1 379.424 3.482 20 5 GGBDMM COc1cccc(Cc2nnc([N-]C(=O)c3ccc(F)cc3[N+](=O)[O-])s2)c1 ZINC000129196719 1416168457 /nfs/dbraw/zinc/16/84/57/1416168457.db2.gz GNEAQOJEFYWRPF-UHFFFAOYSA-N -1 1 388.380 3.437 20 5 GGBDMM O=[N+]([O-])c1cccc(Br)c1OCc1cccc(-c2nnn[n-]2)c1 ZINC000823647706 1429086656 /nfs/dbraw/zinc/08/66/56/1429086656.db2.gz OLCJEIROIZONIV-UHFFFAOYSA-N -1 1 376.170 3.116 20 5 GGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2 ZINC000130523563 1416393527 /nfs/dbraw/zinc/39/35/27/1416393527.db2.gz VKEGQCGLMLXXOO-UHFFFAOYSA-N -1 1 395.824 3.242 20 5 GGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nccnc2c1 ZINC000130552075 1416397781 /nfs/dbraw/zinc/39/77/81/1416397781.db2.gz HKFKLNIQCLGMGD-UHFFFAOYSA-N -1 1 378.797 3.301 20 5 GGBDMM COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)N1CCCCC1 ZINC000130760604 1416444831 /nfs/dbraw/zinc/44/48/31/1416444831.db2.gz MGKPHYMELDASAC-GOSISDBHSA-N -1 1 399.447 3.266 20 5 GGBDMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000130998926 1416493662 /nfs/dbraw/zinc/49/36/62/1416493662.db2.gz CRYMONAPTCFSGR-UHFFFAOYSA-N -1 1 390.359 3.391 20 5 GGBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)C2CC2)cc1 ZINC000132304215 1416732136 /nfs/dbraw/zinc/73/21/36/1416732136.db2.gz KUYBVMIGMLMNFV-UHFFFAOYSA-N -1 1 393.396 3.192 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)cc([N+](=O)[O-])c1F ZINC000132659524 1416801128 /nfs/dbraw/zinc/80/11/28/1416801128.db2.gz RQYCHUJNDVUTMM-UHFFFAOYSA-N -1 1 377.353 3.498 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)cc1[N+](=O)[O-] ZINC000132826707 1416820057 /nfs/dbraw/zinc/82/00/57/1416820057.db2.gz VFPCIGOXEYYLSF-UHFFFAOYSA-N -1 1 375.362 3.059 20 5 GGBDMM Cc1nc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)oc1-c1ccc(Cl)cc1 ZINC000134232705 1417041550 /nfs/dbraw/zinc/04/15/50/1417041550.db2.gz DIVMTSZVMWLMJY-UHFFFAOYSA-N -1 1 388.767 3.242 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCOC2(CCCCC2)C1 ZINC000134665008 1417108947 /nfs/dbraw/zinc/10/89/47/1417108947.db2.gz KZAJMXJCKURKMV-CYBMUJFWSA-N -1 1 388.873 3.408 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)c(C(F)(F)F)c1 ZINC000134667283 1417109970 /nfs/dbraw/zinc/10/99/70/1417109970.db2.gz XEUWHSNVQLPBMG-UHFFFAOYSA-N -1 1 394.302 3.046 20 5 GGBDMM Cc1nn(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)c2ccc([N+](=O)[O-])cc12 ZINC000826335124 1429169393 /nfs/dbraw/zinc/16/93/93/1429169393.db2.gz ZLEVTFHEYGUGQN-UHFFFAOYSA-N -1 1 398.814 3.180 20 5 GGBDMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3C)cc2F)c1 ZINC000135666528 1417254967 /nfs/dbraw/zinc/25/49/67/1417254967.db2.gz UAAKUGOGHYRHJT-UHFFFAOYSA-N -1 1 390.396 3.337 20 5 GGBDMM CNC(=O)c1ccc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(Cl)c1 ZINC000135964650 1417282394 /nfs/dbraw/zinc/28/23/94/1417282394.db2.gz XGVGGBHCQPUNSB-UHFFFAOYSA-N -1 1 397.840 3.025 20 5 GGBDMM Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2C)sc1-c1n[n-]c(=S)n1C ZINC000139302896 1417455101 /nfs/dbraw/zinc/45/51/01/1417455101.db2.gz ISNIXLHONPRUSO-UHFFFAOYSA-N -1 1 390.450 3.379 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000146252758 1417713257 /nfs/dbraw/zinc/71/32/57/1417713257.db2.gz MAPIIAIEKGELFV-KDOFPFPSSA-N -1 1 394.424 3.180 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccccc1N1CCCC1 ZINC000146959948 1417734986 /nfs/dbraw/zinc/73/49/86/1417734986.db2.gz BEOFVOSYHAOYBD-UHFFFAOYSA-N -1 1 395.868 3.327 20 5 GGBDMM COc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000150795362 1417808138 /nfs/dbraw/zinc/80/81/38/1417808138.db2.gz ODUDQIDHDPGAAE-CQSZACIVSA-N -1 1 390.339 3.185 20 5 GGBDMM COc1ccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c(OC)c1 ZINC000821786189 1429226406 /nfs/dbraw/zinc/22/64/06/1429226406.db2.gz BIXDYLDUQQCFRO-MRXNPFEDSA-N -1 1 396.407 3.134 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccccc1OCC1CC1 ZINC000151591170 1418034024 /nfs/dbraw/zinc/03/40/24/1418034024.db2.gz XAOYOZQLPNLXJK-UHFFFAOYSA-N -1 1 380.397 3.001 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc([N+](=O)[O-])c1F ZINC000179188690 1429289827 /nfs/dbraw/zinc/28/98/27/1429289827.db2.gz BFQZGJRVNYLTHT-UHFFFAOYSA-N -1 1 376.369 3.233 20 5 GGBDMM O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823431523 1429310274 /nfs/dbraw/zinc/31/02/74/1429310274.db2.gz QEUVMMISJSNZKQ-UHFFFAOYSA-N -1 1 393.281 3.151 20 5 GGBDMM O=[N+]([O-])c1cccc(Br)c1OCc1ccc(-c2nnn[n-]2)cc1F ZINC000823647529 1429467099 /nfs/dbraw/zinc/46/70/99/1429467099.db2.gz LKSWATRAVXWRGG-UHFFFAOYSA-N -1 1 394.160 3.256 20 5 GGBDMM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000152352756 1422081269 /nfs/dbraw/zinc/08/12/69/1422081269.db2.gz AKBIPXQOBWTVRN-VIFPVBQESA-N -1 1 388.854 3.250 20 5 GGBDMM CC[C@@H](CCO)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000152368905 1422085194 /nfs/dbraw/zinc/08/51/94/1422085194.db2.gz UJKUUBQSSGFGRA-AWEZNQCLSA-N -1 1 393.465 3.216 20 5 GGBDMM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000152735533 1422230207 /nfs/dbraw/zinc/23/02/07/1422230207.db2.gz KOBHQQGTXHLZKM-SFHVURJKSA-N -1 1 388.401 3.264 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3c(F)cc(F)cc3F)[nH]n2)c1 ZINC000153195653 1422388823 /nfs/dbraw/zinc/38/88/23/1422388823.db2.gz MKRPWIBSMITQTN-UHFFFAOYSA-N -1 1 398.322 3.203 20 5 GGBDMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000153196154 1422389205 /nfs/dbraw/zinc/38/92/05/1422389205.db2.gz CHJBJPRBCSSXEJ-UHFFFAOYSA-N -1 1 376.369 3.233 20 5 GGBDMM Cc1cc(N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)ccc1[N+](=O)[O-] ZINC000826269302 1429568876 /nfs/dbraw/zinc/56/88/76/1429568876.db2.gz HXAJEWYTPNKLPT-UHFFFAOYSA-N -1 1 380.408 3.131 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)cc([N+](=O)[O-])c1F ZINC000154250020 1422861756 /nfs/dbraw/zinc/86/17/56/1422861756.db2.gz YVAQEFGRSLKQIF-UHFFFAOYSA-N -1 1 377.353 3.498 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc([N+](=O)[O-])c1F ZINC000154268788 1422864672 /nfs/dbraw/zinc/86/46/72/1422864672.db2.gz MZGLDTXTOBUJFZ-UHFFFAOYSA-N -1 1 376.369 3.029 20 5 GGBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)ccc1C ZINC000154274141 1422865631 /nfs/dbraw/zinc/86/56/31/1422865631.db2.gz SBVJDYNHIVUNDK-UHFFFAOYSA-N -1 1 381.385 3.110 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)cc([N+](=O)[O-])c1F ZINC000154288965 1422867651 /nfs/dbraw/zinc/86/76/51/1422867651.db2.gz FPYDOBQIAWVCBD-UHFFFAOYSA-N -1 1 393.396 3.192 20 5 GGBDMM O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826457252 1423417129 /nfs/dbraw/zinc/41/71/29/1423417129.db2.gz SXJUUEYDFGNSGQ-UHFFFAOYSA-N -1 1 391.347 3.148 20 5 GGBDMM CC(=CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000823943731 1429656769 /nfs/dbraw/zinc/65/67/69/1429656769.db2.gz RWUMZESDEGHSNH-YFHOEESVSA-N -1 1 384.783 3.470 20 5 GGBDMM CC(C)[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000824342736 1423614275 /nfs/dbraw/zinc/61/42/75/1423614275.db2.gz TUZPWAMUVLVQDA-INIZCTEOSA-N -1 1 378.396 3.460 20 5 GGBDMM O=[N+]([O-])c1cnc(NCCSc2ccc(Cl)cc2)c(-c2nnn[n-]2)c1 ZINC000823651080 1423768960 /nfs/dbraw/zinc/76/89/60/1423768960.db2.gz DVDFRDOBHCFFIP-UHFFFAOYSA-N -1 1 377.817 3.028 20 5 GGBDMM CCNc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000821308999 1423881859 /nfs/dbraw/zinc/88/18/59/1423881859.db2.gz IVXYJFXKYQIHFN-NSHDSACASA-N -1 1 382.380 3.125 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)cnc1Oc1ccc(Br)cc1-c1nn[n-]n1 ZINC000823635069 1423906331 /nfs/dbraw/zinc/90/63/31/1423906331.db2.gz QTAZHVNXAWKXAS-UHFFFAOYSA-N -1 1 397.576 3.378 20 5 GGBDMM O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1-c1nnn[n-]1 ZINC000826498035 1424167100 /nfs/dbraw/zinc/16/71/00/1424167100.db2.gz FBDDMKGYYJDHIK-UHFFFAOYSA-N -1 1 396.251 3.096 20 5 GGBDMM C[C@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000158190966 1424190597 /nfs/dbraw/zinc/19/05/97/1424190597.db2.gz FIGOUFPURZKYDU-SKDRFNHKSA-N -1 1 390.870 3.100 20 5 GGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2Cl)c([N+](=O)[O-])c1 ZINC000158600458 1424299631 /nfs/dbraw/zinc/29/96/31/1424299631.db2.gz DZGFITFZEYJQAN-UHFFFAOYSA-N -1 1 397.840 3.059 20 5 GGBDMM Cc1c(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cccc1-c1nnn[n-]1 ZINC000826242211 1424348365 /nfs/dbraw/zinc/34/83/65/1424348365.db2.gz FOMBZQZMYWFWFF-UHFFFAOYSA-N -1 1 392.297 3.354 20 5 GGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000158870715 1424360667 /nfs/dbraw/zinc/36/06/67/1424360667.db2.gz MMBZQHPNBMUSNS-UHFFFAOYSA-N -1 1 383.401 3.364 20 5 GGBDMM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738164314 1424420234 /nfs/dbraw/zinc/42/02/34/1424420234.db2.gz VCXBOYIPCJVQTM-UHFFFAOYSA-N -1 1 379.163 3.334 20 5 GGBDMM Cc1cc(F)ccc1N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000737270137 1424426564 /nfs/dbraw/zinc/42/65/64/1424426564.db2.gz JRLRJOKRLFRAIQ-HNNXBMFYSA-N -1 1 397.414 3.303 20 5 GGBDMM COc1ccccc1[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)N1CCCCC1 ZINC000160075872 1424570881 /nfs/dbraw/zinc/57/08/81/1424570881.db2.gz HCXPUYDEHBDZMG-GOSISDBHSA-N -1 1 399.447 3.266 20 5 GGBDMM CCc1c(C)sc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821465189 1429736828 /nfs/dbraw/zinc/73/68/28/1429736828.db2.gz DIJAIBSHTSRZQN-UHFFFAOYSA-N -1 1 390.400 3.407 20 5 GGBDMM O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160327213 1424596113 /nfs/dbraw/zinc/59/61/13/1424596113.db2.gz GHAAYFBMIHTBHO-UHFFFAOYSA-N -1 1 375.344 3.491 20 5 GGBDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1C ZINC000160830312 1424637848 /nfs/dbraw/zinc/63/78/48/1424637848.db2.gz OKUCLGQWTMHLAW-UHFFFAOYSA-N -1 1 381.385 3.110 20 5 GGBDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1cccc(-n2cccn2)c1 ZINC000824650605 1424983045 /nfs/dbraw/zinc/98/30/45/1424983045.db2.gz SSWKFQJWTWPZBD-GFCCVEGCSA-N -1 1 376.380 3.134 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000163346177 1424983282 /nfs/dbraw/zinc/98/32/82/1424983282.db2.gz NIXXPLLWKODMBV-CZUORRHYSA-N -1 1 396.852 3.447 20 5 GGBDMM O=[N+]([O-])c1ccc(OCc2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000738367376 1425109963 /nfs/dbraw/zinc/10/99/63/1425109963.db2.gz SIWUDSQDQCZYNL-UHFFFAOYSA-N -1 1 376.170 3.116 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Oc1cc(Cl)cnc1Br ZINC000826497347 1425124618 /nfs/dbraw/zinc/12/46/18/1425124618.db2.gz DMVLONHLNPFWTJ-UHFFFAOYSA-N -1 1 397.576 3.378 20 5 GGBDMM O=[N+]([O-])c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)c(Br)c1 ZINC000738366906 1425231734 /nfs/dbraw/zinc/23/17/34/1425231734.db2.gz KKRVCXBQZKBUKP-UHFFFAOYSA-N -1 1 380.133 3.469 20 5 GGBDMM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc(C)c1F ZINC000826260580 1425233654 /nfs/dbraw/zinc/23/36/54/1425233654.db2.gz VOIXUCPEXPRRDB-UHFFFAOYSA-N -1 1 390.762 3.437 20 5 GGBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1cccc(-n2cccn2)c1 ZINC000824658352 1425245711 /nfs/dbraw/zinc/24/57/11/1425245711.db2.gz WFZVZQHIYRQFMB-GFCCVEGCSA-N -1 1 376.380 3.134 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2cnn(CCCOc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000826499777 1425298364 /nfs/dbraw/zinc/29/83/64/1425298364.db2.gz WZQFQAIMFVJJEF-UHFFFAOYSA-N -1 1 391.391 3.108 20 5 GGBDMM O=[N+]([O-])c1ccccc1-c1ccc(CNCc2cc(-c3nnn[n-]3)ccc2F)o1 ZINC000823648057 1425311069 /nfs/dbraw/zinc/31/10/69/1425311069.db2.gz SJXFATOORKJNKF-UHFFFAOYSA-N -1 1 394.366 3.464 20 5 GGBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825674798 1425406153 /nfs/dbraw/zinc/40/61/53/1425406153.db2.gz SAHZMCGIYUIGEK-UHFFFAOYSA-N -1 1 398.448 3.159 20 5 GGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000171041258 1425451205 /nfs/dbraw/zinc/45/12/05/1425451205.db2.gz GZPYNAYANYCVFE-JKSUJKDBSA-N -1 1 396.852 3.447 20 5 GGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000171208890 1425541046 /nfs/dbraw/zinc/54/10/46/1425541046.db2.gz JQYRQZPNUADFLZ-AWEZNQCLSA-N -1 1 398.202 3.216 20 5 GGBDMM Cc1c(Cl)cnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1-c1nnn[n-]1 ZINC000826237133 1425566613 /nfs/dbraw/zinc/56/66/13/1425566613.db2.gz PIFZISPTYUHEQF-UHFFFAOYSA-N -1 1 385.815 3.301 20 5 GGBDMM O=C1CCCc2cc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2N1 ZINC000171267915 1425585417 /nfs/dbraw/zinc/58/54/17/1425585417.db2.gz MNDFBZSFBPCJPA-UHFFFAOYSA-N -1 1 395.824 3.324 20 5 GGBDMM Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822229176 1425728870 /nfs/dbraw/zinc/72/88/70/1425728870.db2.gz OKIHFPWYTSXMIW-CHWSQXEVSA-N -1 1 395.423 3.205 20 5 GGBDMM O=[N+]([O-])c1ccc(F)cc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000823639720 1425733503 /nfs/dbraw/zinc/73/35/03/1425733503.db2.gz GAMNIINQTYYSQU-UHFFFAOYSA-N -1 1 381.270 3.094 20 5 GGBDMM Cc1cc(N2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)ccc1[N+](=O)[O-] ZINC000737270767 1425742453 /nfs/dbraw/zinc/74/24/53/1425742453.db2.gz HHSNRQKTBPFQCH-UHFFFAOYSA-N -1 1 380.408 3.131 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N3CCC4(CCCC4)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823643823 1425895219 /nfs/dbraw/zinc/89/52/19/1425895219.db2.gz CEJRMAPTCGMNLI-UHFFFAOYSA-N -1 1 379.424 3.484 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCCc3c(F)cccc3F)cc(-c3nnn[n-]3)c2c1 ZINC000823644265 1425934718 /nfs/dbraw/zinc/93/47/18/1425934718.db2.gz IIAGFZPVRFAUEZ-UHFFFAOYSA-N -1 1 397.345 3.256 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2nnc(CSc3ccccc3-c3nnn[n-]3)o2)cc1 ZINC000738359586 1425948582 /nfs/dbraw/zinc/94/85/82/1425948582.db2.gz KATRHQDWOPYCDX-UHFFFAOYSA-N -1 1 381.377 3.117 20 5 GGBDMM Cc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000822176882 1425966217 /nfs/dbraw/zinc/96/62/17/1425966217.db2.gz PRTIOTIIQXXBDC-UHFFFAOYSA-N -1 1 382.380 3.123 20 5 GGBDMM Cc1cc(C)c([N+](=O)[O-])c(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826263790 1426044742 /nfs/dbraw/zinc/04/47/42/1426044742.db2.gz QRHUTAFGNPFZSM-UHFFFAOYSA-N -1 1 377.408 3.080 20 5 GGBDMM O=[N+]([O-])c1cnc(N2CC3(CCCC3)c3c2cccc3F)c(-c2nnn[n-]2)c1 ZINC000738370663 1426131620 /nfs/dbraw/zinc/13/16/20/1426131620.db2.gz XQBVIZUOWHEBDB-UHFFFAOYSA-N -1 1 381.371 3.273 20 5 GGBDMM Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)ccc1[N+](=O)[O-] ZINC000172674731 1426137579 /nfs/dbraw/zinc/13/75/79/1426137579.db2.gz MPUKJNCKTACGNS-UHFFFAOYSA-N -1 1 379.413 3.443 20 5 GGBDMM O=[N+]([O-])c1ccc(NC[C@H](O)c2cc3ccccc3s2)c(-c2nnn[n-]2)c1 ZINC000823640198 1426240505 /nfs/dbraw/zinc/24/05/05/1426240505.db2.gz WYCSJBVNYSJEOD-AWEZNQCLSA-N -1 1 382.405 3.135 20 5 GGBDMM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000736190033 1426258465 /nfs/dbraw/zinc/25/84/65/1426258465.db2.gz DZFDQSJWIMYEJE-VIFPVBQESA-N -1 1 388.384 3.033 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000738357098 1426262901 /nfs/dbraw/zinc/26/29/01/1426262901.db2.gz BEIOWOVLTGTIFY-AWEZNQCLSA-N -1 1 395.206 3.227 20 5 GGBDMM O=[N+]([O-])c1ccc(N[C@H](c2ccccc2)C2CCOCC2)c(-c2nnn[n-]2)c1 ZINC000738371984 1426401856 /nfs/dbraw/zinc/40/18/56/1426401856.db2.gz ZTEJXSLAUREICB-GOSISDBHSA-N -1 1 380.408 3.355 20 5 GGBDMM O=[N+]([O-])c1ccc(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c(-c2nnn[n-]2)c1 ZINC000738368419 1426555097 /nfs/dbraw/zinc/55/50/97/1426555097.db2.gz DGMBGAJUURATNM-CQSZACIVSA-N -1 1 395.206 3.227 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N3CCc4ccc(F)cc4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645962 1426567476 /nfs/dbraw/zinc/56/74/76/1426567476.db2.gz YDDIXLLCKCHEJU-UHFFFAOYSA-N -1 1 391.366 3.025 20 5 GGBDMM COc1cc(-c2nnn[n-]2)ccc1OCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000737033141 1426598850 /nfs/dbraw/zinc/59/88/50/1426598850.db2.gz UBDVMWGMLVRPNR-UHFFFAOYSA-N -1 1 385.380 3.150 20 5 GGBDMM CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573530 1426696210 /nfs/dbraw/zinc/69/62/10/1426696210.db2.gz UIVWLGSKPMGFBH-UHFFFAOYSA-N -1 1 398.766 3.451 20 5 GGBDMM O=[N+]([O-])c1ccc(N[C@H](C[C@@H]2CCOC2)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000826498586 1426736233 /nfs/dbraw/zinc/73/62/33/1426736233.db2.gz BLARKTPUFQDVHW-SCLBCKFNSA-N -1 1 380.408 3.355 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Nc1ccc(N2CCSCC2)cc1 ZINC000823630505 1426756753 /nfs/dbraw/zinc/75/67/53/1426756753.db2.gz ZATFIDKAWGWKSI-UHFFFAOYSA-N -1 1 383.437 3.072 20 5 GGBDMM O=[N+]([O-])c1cccc(Br)c1CNc1cccc(-c2nnn[n-]2)c1 ZINC000826499312 1426840006 /nfs/dbraw/zinc/84/00/06/1426840006.db2.gz DNXOHRBZWFEYHN-UHFFFAOYSA-N -1 1 375.186 3.150 20 5 GGBDMM Cc1nn(C)c(Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)c1[N+](=O)[O-] ZINC000737512380 1426924493 /nfs/dbraw/zinc/92/44/93/1426924493.db2.gz XDBPCIWFBOPCSH-UHFFFAOYSA-N -1 1 392.379 3.353 20 5 GGBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000825674518 1426936716 /nfs/dbraw/zinc/93/67/16/1426936716.db2.gz NFIXAQIFFVGNES-UHFFFAOYSA-N -1 1 385.405 3.244 20 5 GGBDMM CC(=CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000823943730 1426984449 /nfs/dbraw/zinc/98/44/49/1426984449.db2.gz RWUMZESDEGHSNH-JXMROGBWSA-N -1 1 384.783 3.470 20 5 GGBDMM CC[C@@H](OC1CCCC1)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825152581 1427138738 /nfs/dbraw/zinc/13/87/38/1427138738.db2.gz CAXVTHIYLOBAHS-CYBMUJFWSA-N -1 1 394.819 3.105 20 5 GGBDMM Cn1cnc([N+](=O)[O-])c1Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737619509 1427172366 /nfs/dbraw/zinc/17/23/66/1427172366.db2.gz UGDNFROAZXZEFO-UHFFFAOYSA-N -1 1 378.352 3.044 20 5 GGBDMM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826453194 1427173903 /nfs/dbraw/zinc/17/39/03/1427173903.db2.gz ACIJPSWKMZPDJC-UHFFFAOYSA-N -1 1 395.766 3.229 20 5 GGBDMM CC1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)CC1 ZINC000820728099 1427185974 /nfs/dbraw/zinc/18/59/74/1427185974.db2.gz SQQZXMRPDBWDOL-UHFFFAOYSA-N -1 1 380.412 3.150 20 5 GGBDMM CC(C)C[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824244065 1427212302 /nfs/dbraw/zinc/21/23/02/1427212302.db2.gz QEKKUKRXGVUNFH-OCCSQVGLSA-N -1 1 397.439 3.329 20 5 GGBDMM O=C(CSc1ccc(Cl)cc1-c1nnn[n-]1)Nc1ccccc1[N+](=O)[O-] ZINC000823066416 1427253378 /nfs/dbraw/zinc/25/33/78/1427253378.db2.gz YNUZPIYXNLLZGH-UHFFFAOYSA-N -1 1 390.812 3.159 20 5 GGBDMM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000823421913 1427294678 /nfs/dbraw/zinc/29/46/78/1427294678.db2.gz JZLJBOULAUDOJN-UHFFFAOYSA-N -1 1 399.363 3.486 20 5 GGBDMM Cc1ccc([N+](=O)[O-])c(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000822271093 1427334435 /nfs/dbraw/zinc/33/44/35/1427334435.db2.gz MBKGJCBZURRTRY-UHFFFAOYSA-N -1 1 377.307 3.264 20 5 GGBDMM Cc1c(NC(=O)[C@H](C)Sc2ccccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000822060727 1427356356 /nfs/dbraw/zinc/35/63/56/1427356356.db2.gz IJYIJJCQJSZNMW-NSHDSACASA-N -1 1 384.421 3.203 20 5 GGBDMM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000826176573 1427360005 /nfs/dbraw/zinc/36/00/05/1427360005.db2.gz VBQFGIXMKANWKW-UHFFFAOYSA-N -1 1 379.279 3.177 20 5 GGBDMM O=[N+]([O-])c1cc(F)ccc1Oc1ccc(Br)cc1-c1nnn[n-]1 ZINC000823634773 1427603104 /nfs/dbraw/zinc/60/31/04/1427603104.db2.gz LVCNWNYWYXTNMC-UHFFFAOYSA-N -1 1 380.133 3.469 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000823620453 1427630168 /nfs/dbraw/zinc/63/01/68/1427630168.db2.gz LCBRIMADRMBXAH-SFHVURJKSA-N -1 1 399.414 3.322 20 5 GGBDMM CC(=CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942589 1427693621 /nfs/dbraw/zinc/69/36/21/1427693621.db2.gz GTOYRJBOFGYLMH-XSNHNAGMSA-N -1 1 379.376 3.483 20 5 GGBDMM COc1ccc([N+](=O)[O-])cc1CN1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826212743 1427712170 /nfs/dbraw/zinc/71/21/70/1427712170.db2.gz ZXEKGVIWYJOORW-UHFFFAOYSA-N -1 1 392.419 3.073 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N3CCC[C@H](C(F)(F)F)C3)cc(-c3nnn[n-]3)c2c1 ZINC000738366089 1427736267 /nfs/dbraw/zinc/73/62/67/1427736267.db2.gz BTPCSJRMZGOUHH-VIFPVBQESA-N -1 1 393.329 3.102 20 5 GGBDMM O=[N+]([O-])c1ccc(CSCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000826498464 1427796735 /nfs/dbraw/zinc/79/67/35/1427796735.db2.gz WATVZXRQQQZEEL-UHFFFAOYSA-N -1 1 395.404 3.258 20 5 GGBDMM C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736155084 1427985737 /nfs/dbraw/zinc/98/57/37/1427985737.db2.gz GZOBMIHYNZZNRC-LLVKDONJSA-N -1 1 385.405 3.171 20 5 GGBDMM O=C(c1cc(-c2nnn[n-]2)cs1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000823467261 1428009593 /nfs/dbraw/zinc/00/95/93/1428009593.db2.gz SWUUXVLULLQZBL-UHFFFAOYSA-N -1 1 384.421 3.426 20 5 GGBDMM O=C(OCc1cn2ccccc2c1-c1nnn[n-]1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823440439 1428014827 /nfs/dbraw/zinc/01/48/27/1428014827.db2.gz UAYKPYXLBOBSMP-UHFFFAOYSA-N -1 1 398.766 3.038 20 5 GGBDMM CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825829984 1428106846 /nfs/dbraw/zinc/10/68/46/1428106846.db2.gz NDLBXGMEFUGJFI-UHFFFAOYSA-N -1 1 393.190 3.358 20 5 GGBDMM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737248488 1428121915 /nfs/dbraw/zinc/12/19/15/1428121915.db2.gz GOXPXPPKZGOIPC-UHFFFAOYSA-N -1 1 384.421 3.123 20 5 GGBDMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@H]2CCCC[C@H]12 ZINC000824991609 1429832578 /nfs/dbraw/zinc/83/25/78/1429832578.db2.gz CVLRXPGTJGHXOJ-NDGTYSDOSA-N -1 1 379.424 3.338 20 5 GGBDMM O=[N+]([O-])c1ccc(CN(C(=S)Nc2ccccc2-c2nnn[n-]2)C2CC2)cc1 ZINC000826498000 1429999024 /nfs/dbraw/zinc/99/90/24/1429999024.db2.gz COSPZNALPHEELJ-UHFFFAOYSA-N -1 1 395.448 3.136 20 5 GGBDMM CC(=CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823943381 1430038310 /nfs/dbraw/zinc/03/83/10/1430038310.db2.gz PHMJEFZXLCCLAI-YLGBQOPLSA-N -1 1 378.392 3.056 20 5 GGBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)Cc3ccccc3[N+](=O)[O-])c2C)o1 ZINC000180821086 1430057303 /nfs/dbraw/zinc/05/73/03/1430057303.db2.gz NKYVIDIUFSFXRE-UHFFFAOYSA-N -1 1 376.394 3.137 20 5 GGBDMM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180860766 1430074009 /nfs/dbraw/zinc/07/40/09/1430074009.db2.gz DICIAZXGEMZQBR-UHFFFAOYSA-N -1 1 393.331 3.362 20 5 GGBDMM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826465876 1430097687 /nfs/dbraw/zinc/09/76/87/1430097687.db2.gz HFXPPKATNYHKIW-UHFFFAOYSA-N -1 1 395.709 3.064 20 5 GGBDMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)ccc2[nH]1 ZINC000182499916 1430478977 /nfs/dbraw/zinc/47/89/77/1430478977.db2.gz LMAFSJIRXKSNRX-UHFFFAOYSA-N -1 1 387.417 3.108 20 5 GGBDMM CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cccc(C(F)(F)F)c1 ZINC000183898373 1430810365 /nfs/dbraw/zinc/81/03/65/1430810365.db2.gz DQSQWGLCAABDTL-HNNXBMFYSA-N -1 1 397.353 3.352 20 5 GGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c2ncccc12 ZINC000184768085 1430971619 /nfs/dbraw/zinc/97/16/19/1430971619.db2.gz YWXVIRIARAYJDG-UHFFFAOYSA-N -1 1 383.307 3.361 20 5 GGBDMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])c4ncccc34)ccc2O1 ZINC000184965425 1431032564 /nfs/dbraw/zinc/03/25/64/1431032564.db2.gz NDIHXMOVULZBMF-NSHDSACASA-N -1 1 385.401 3.267 20 5 GGBDMM Cc1ccc(C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000185666238 1431200261 /nfs/dbraw/zinc/20/02/61/1431200261.db2.gz VAIRCHHUJKBHHZ-QGZVFWFLSA-N -1 1 378.388 3.113 20 5 GGBDMM COc1ccc2[nH]cc(C3CCN(C(=O)c4c[n-]c(=O)c([N+](=O)[O-])c4)CC3)c2c1 ZINC000187011207 1431588719 /nfs/dbraw/zinc/58/87/19/1431588719.db2.gz JYUCURDDTROGNX-UHFFFAOYSA-N -1 1 396.403 3.205 20 5 GGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(OCC2CC2)c(F)c1 ZINC000187188413 1431641234 /nfs/dbraw/zinc/64/12/34/1431641234.db2.gz YLBHXHHHZQHCHD-SNVBAGLBSA-N -1 1 375.356 3.114 20 5 GGBDMM CC(C)c1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000190416602 1432377390 /nfs/dbraw/zinc/37/73/90/1432377390.db2.gz IVYMMURBJAHPQE-UHFFFAOYSA-N -1 1 395.412 3.481 20 5 GGBDMM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000191788864 1432725439 /nfs/dbraw/zinc/72/54/39/1432725439.db2.gz KFWLTLIHHIDYIC-UHFFFAOYSA-N -1 1 391.449 3.071 20 5 GGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000192705832 1432877736 /nfs/dbraw/zinc/87/77/36/1432877736.db2.gz ZCTGEWQRTQPIHB-UHFFFAOYSA-N -1 1 399.428 3.390 20 5 GGBDMM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000193128781 1432941005 /nfs/dbraw/zinc/94/10/05/1432941005.db2.gz WKGUJPLYXCUHEO-UHFFFAOYSA-N -1 1 377.422 3.380 20 5 GGBDMM CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193506302 1433010916 /nfs/dbraw/zinc/01/09/16/1433010916.db2.gz TXHKGEDTHBKKOU-UHFFFAOYSA-N -1 1 382.376 3.055 20 5 GGBDMM COc1ccc(CCN(CC(C)(C)C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193588416 1433024447 /nfs/dbraw/zinc/02/44/47/1433024447.db2.gz XXBDKUZQJOKRMC-UHFFFAOYSA-N -1 1 387.436 3.435 20 5 GGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)ccc1Cl ZINC000193620342 1433029937 /nfs/dbraw/zinc/02/99/37/1433029937.db2.gz JLVPFODBYGRLOI-UHFFFAOYSA-N -1 1 378.797 3.235 20 5 GGBDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2F)n1 ZINC000194202608 1433137863 /nfs/dbraw/zinc/13/78/63/1433137863.db2.gz UIPODKDCBPQCEV-UHFFFAOYSA-N -1 1 390.396 3.337 20 5 GGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCSCc1ccccc1F ZINC000194335890 1433163199 /nfs/dbraw/zinc/16/31/99/1433163199.db2.gz WLVBFFBSWYJEOZ-UHFFFAOYSA-N -1 1 388.417 3.085 20 5 GGBDMM COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000195233319 1433310134 /nfs/dbraw/zinc/31/01/34/1433310134.db2.gz GHFDGVRXWQLEKG-GFCCVEGCSA-N -1 1 382.413 3.042 20 5 GGBDMM Cc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cccc1-c1nnc2n1CCCCC2 ZINC000263914717 1434048458 /nfs/dbraw/zinc/04/84/58/1434048458.db2.gz OVQLVEKOCBLPNM-UHFFFAOYSA-N -1 1 380.408 3.469 20 5 GGBDMM O=C(Nc1cc(Cl)ccc1C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000264010251 1434061635 /nfs/dbraw/zinc/06/16/35/1434061635.db2.gz AOEUAISFNIUING-UHFFFAOYSA-N -1 1 376.800 3.455 20 5 GGBDMM O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000264768142 1434153352 /nfs/dbraw/zinc/15/33/52/1434153352.db2.gz JTRCTMNQSXDUPH-UHFFFAOYSA-N -1 1 391.449 3.423 20 5 GGBDMM CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000267427457 1434431825 /nfs/dbraw/zinc/43/18/25/1434431825.db2.gz UMFOQIFRCKYTID-UHFFFAOYSA-N -1 1 386.408 3.200 20 5 GGBDMM CCOCCOc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000271382397 1434820662 /nfs/dbraw/zinc/82/06/62/1434820662.db2.gz DOAHOWQDAJZYET-UHFFFAOYSA-N -1 1 394.449 3.428 20 5 GGBDMM CC[C@@H](C)NC(=O)c1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000272874632 1434937844 /nfs/dbraw/zinc/93/78/44/1434937844.db2.gz UAYPKOLMPSTELL-SNVBAGLBSA-N -1 1 397.478 3.332 20 5 GGBDMM O=C([N-]CC1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1)C(F)(F)F ZINC000280908548 1435740435 /nfs/dbraw/zinc/74/04/35/1435740435.db2.gz AEWLODOAEZHQQV-UHFFFAOYSA-N -1 1 382.342 3.038 20 5 GGBDMM O=C([N-]CC1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000281788755 1435822036 /nfs/dbraw/zinc/82/20/36/1435822036.db2.gz HSTSREGVBAYHQI-UHFFFAOYSA-N -1 1 382.342 3.038 20 5 GGBDMM CSc1nc(C)c(CCC(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)c(=O)[n-]1 ZINC000282207768 1435838469 /nfs/dbraw/zinc/83/84/69/1435838469.db2.gz GFHGNCQIGSDFQE-UHFFFAOYSA-N -1 1 380.401 3.140 20 5 GGBDMM COc1cc(C)ccc1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821713044 1441522721 /nfs/dbraw/zinc/52/27/21/1441522721.db2.gz QTISUVJUKKJTKX-UHFFFAOYSA-N -1 1 391.391 3.252 20 5 GGBDMM O=[N+]([O-])c1cc(N2CCC[C@H](c3nc4ccccc4o3)C2)ccc1-c1nnn[n-]1 ZINC000823634528 1441566339 /nfs/dbraw/zinc/56/63/39/1441566339.db2.gz JPCOCNUOHKFRMQ-LBPRGKRZSA-N -1 1 391.391 3.300 20 5 GGBDMM O=[N+]([O-])c1cnc(NCC2(c3ccc(Cl)cc3)CCC2)c(-c2nnn[n-]2)c1 ZINC000738373434 1441614724 /nfs/dbraw/zinc/61/47/24/1441614724.db2.gz CSQGNDKKQUUPQO-UHFFFAOYSA-N -1 1 385.815 3.357 20 5 GGBDMM O=[N+]([O-])c1ccccc1NCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000738368081 1441623371 /nfs/dbraw/zinc/62/33/71/1441623371.db2.gz CZNIIOPEGCGLPX-UHFFFAOYSA-N -1 1 393.329 3.318 20 5 GGBDMM CC(C)C[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824244067 1441693445 /nfs/dbraw/zinc/69/34/45/1441693445.db2.gz QEKKUKRXGVUNFH-TZMCWYRMSA-N -1 1 397.439 3.329 20 5 GGBDMM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000738167768 1441707829 /nfs/dbraw/zinc/70/78/29/1441707829.db2.gz UYCDZEBDABTJJY-UHFFFAOYSA-N -1 1 384.352 3.381 20 5 GGBDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000737803287 1441735618 /nfs/dbraw/zinc/73/56/18/1441735618.db2.gz SFOLMQUEGWTDMY-SOFGYWHQSA-N -1 1 385.767 3.185 20 5 GGBDMM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000826499270 1441752941 /nfs/dbraw/zinc/75/29/41/1441752941.db2.gz CADQHDVIKIUGDK-CYBMUJFWSA-N -1 1 396.190 3.194 20 5 GGBDMM O=[N+]([O-])c1ccc(Cl)c(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC000826498144 1441773217 /nfs/dbraw/zinc/77/32/17/1441773217.db2.gz IUNLBVRLVIBESO-UHFFFAOYSA-N -1 1 385.815 3.314 20 5 GGBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821607336 1441777219 /nfs/dbraw/zinc/77/72/19/1441777219.db2.gz KLYLHYWOYYRQJG-UHFFFAOYSA-N -1 1 376.779 3.199 20 5 GGBDMM O=[N+]([O-])c1cccc(CCNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)c1 ZINC000826499713 1441802015 /nfs/dbraw/zinc/80/20/15/1441802015.db2.gz UHBIHKMAVOSRDB-UHFFFAOYSA-N -1 1 397.345 3.256 20 5 GGBDMM Cc1nc(-c2ccccc2)sc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822423762 1441830120 /nfs/dbraw/zinc/83/01/20/1441830120.db2.gz OIBKWLJTMRIRBH-UHFFFAOYSA-N -1 1 394.420 3.214 20 5 GGBDMM CN(Cc1cccc(F)c1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736829124 1441848047 /nfs/dbraw/zinc/84/80/47/1441848047.db2.gz YJVONIWDIMEPAQ-UHFFFAOYSA-N -1 1 379.355 3.099 20 5 GGBDMM C[C@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC12CCC2 ZINC000824962322 1441860803 /nfs/dbraw/zinc/86/08/03/1441860803.db2.gz SMVZEIWVFKNPIV-LBPRGKRZSA-N -1 1 379.424 3.340 20 5 GGBDMM C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824505865 1441890065 /nfs/dbraw/zinc/89/00/65/1441890065.db2.gz IOIAMBQYHYXJFO-SECBINFHSA-N -1 1 387.787 3.311 20 5 GGBDMM CC(C)(C)OC(=O)Cc1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000819928252 1441900836 /nfs/dbraw/zinc/90/08/36/1441900836.db2.gz MBGYEJWYVKCULA-UHFFFAOYSA-N -1 1 396.407 3.403 20 5 GGBDMM C[C@]1(CCc2ccccc2)CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820612964 1441918077 /nfs/dbraw/zinc/91/80/77/1441918077.db2.gz OSCMMZDXOBWOAV-IBGZPJMESA-N -1 1 379.424 3.019 20 5 GGBDMM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000821390248 1441969253 /nfs/dbraw/zinc/96/92/53/1441969253.db2.gz VNHUFFDGXHPOSY-UHFFFAOYSA-N -1 1 389.755 3.046 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]3c3ccco3)cc(-c3nnn[n-]3)c2c1 ZINC000823644758 1441980253 /nfs/dbraw/zinc/98/02/53/1441980253.db2.gz MBVLNJCMCXJWKP-OAHLLOKOSA-N -1 1 377.364 3.258 20 5 GGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000823620195 1441985361 /nfs/dbraw/zinc/98/53/61/1441985361.db2.gz HZKHWAYLVPREBA-UHFFFAOYSA-N -1 1 392.206 3.039 20 5 GGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737262156 1442013678 /nfs/dbraw/zinc/01/36/78/1442013678.db2.gz CKIZFLDETJDJOE-UHFFFAOYSA-N -1 1 376.716 3.437 20 5 GGBDMM CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825977155 1442029363 /nfs/dbraw/zinc/02/93/63/1442029363.db2.gz ZCIXKLJYIHFZQJ-UHFFFAOYSA-N -1 1 391.391 3.062 20 5 GGBDMM CCCOc1ccc([C@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1OC ZINC000821134294 1442046901 /nfs/dbraw/zinc/04/69/01/1442046901.db2.gz SDZVTXMECPNWFA-NSHDSACASA-N -1 1 399.411 3.140 20 5 GGBDMM Cc1cc(F)cc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826268101 1442059159 /nfs/dbraw/zinc/05/91/59/1442059159.db2.gz KAHQKLVSXVQLMT-UHFFFAOYSA-N -1 1 391.746 3.233 20 5 GGBDMM O=[N+]([O-])c1ccccc1COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000823647139 1442184533 /nfs/dbraw/zinc/18/45/33/1442184533.db2.gz GWPJTDSVJGMKHX-UHFFFAOYSA-N -1 1 376.170 3.116 20 5 GGBDMM O=C(C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccs1 ZINC000826404792 1442252324 /nfs/dbraw/zinc/25/23/24/1442252324.db2.gz LQLDQVSGJJQVRP-LLVKDONJSA-N -1 1 384.421 3.078 20 5 GGBDMM O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826455209 1442281057 /nfs/dbraw/zinc/28/10/57/1442281057.db2.gz DYSHEBGLADQEQO-UHFFFAOYSA-N -1 1 378.270 3.046 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000738358731 1442324056 /nfs/dbraw/zinc/32/40/56/1442324056.db2.gz OLAWAEPKCMRJBW-UHFFFAOYSA-N -1 1 395.354 3.224 20 5 GGBDMM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000824611561 1442350618 /nfs/dbraw/zinc/35/06/18/1442350618.db2.gz BBFADKXTLITONA-SNVBAGLBSA-N -1 1 390.350 3.227 20 5 GGBDMM O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826457153 1442358235 /nfs/dbraw/zinc/35/82/35/1442358235.db2.gz NVXCHRVNDXHSAD-UHFFFAOYSA-N -1 1 391.347 3.148 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(N[C@@H]3C[C@@H]3Cc3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000823644740 1442403528 /nfs/dbraw/zinc/40/35/28/1442403528.db2.gz LFZVANPHLTZWJW-SCLBCKFNSA-N -1 1 387.403 3.366 20 5 GGBDMM O=C(C=Cc1ccsc1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826403566 1442409008 /nfs/dbraw/zinc/40/90/08/1442409008.db2.gz VWJAOCJMPBWOSE-OWOJBTEDSA-N -1 1 376.785 3.142 20 5 GGBDMM COc1ccc(OC)c([C@@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1 ZINC000826211278 1442411424 /nfs/dbraw/zinc/41/14/24/1442411424.db2.gz WHKVBSFITNYCTC-INIZCTEOSA-N -1 1 396.407 3.134 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCOc1ccc2ccccc2c1 ZINC000823629611 1442446057 /nfs/dbraw/zinc/44/60/57/1442446057.db2.gz BRMPSCMCLZJWRI-UHFFFAOYSA-N -1 1 376.376 3.419 20 5 GGBDMM O=[N+]([O-])c1cccc2c1CCN(c1ccc(-c3nnn[n-]3)c(C(F)(F)F)c1)C2 ZINC000826500000 1442447659 /nfs/dbraw/zinc/44/76/59/1442447659.db2.gz HONCJTPMONBMNI-UHFFFAOYSA-N -1 1 390.325 3.356 20 5 GGBDMM C[C@@H](OC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820500679 1442472167 /nfs/dbraw/zinc/47/21/67/1442472167.db2.gz FYLBGURVDSEKDP-SNVBAGLBSA-N -1 1 378.348 3.174 20 5 GGBDMM O=C(C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000826405176 1442490800 /nfs/dbraw/zinc/49/08/00/1442490800.db2.gz XJMWWALPPAXXLV-AWEZNQCLSA-N -1 1 378.392 3.017 20 5 GGBDMM C[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824624672 1443077623 /nfs/dbraw/zinc/07/76/23/1443077623.db2.gz BEPPKHSMRPNJAI-LBPRGKRZSA-N -1 1 391.391 3.281 20 5 GGBDMM C[C@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824754548 1443083919 /nfs/dbraw/zinc/08/39/19/1443083919.db2.gz INWWYMGGGDVCSN-NSHDSACASA-N -1 1 384.421 3.035 20 5 GGBDMM CCOc1ccc([N+](=O)[O-])cc1CN(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000821426686 1443093819 /nfs/dbraw/zinc/09/38/19/1443093819.db2.gz GAYGRCSHVNBKAA-UHFFFAOYSA-N -1 1 394.435 3.338 20 5 GGBDMM Cc1cc(C)n(-c2ccccc2CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000822197730 1443139232 /nfs/dbraw/zinc/13/92/32/1443139232.db2.gz MYIVPFKKIOPUGC-UHFFFAOYSA-N -1 1 390.407 3.190 20 5 GGBDMM Cc1sc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826349673 1443153846 /nfs/dbraw/zinc/15/38/46/1443153846.db2.gz PUQSDVINYPEQNC-UHFFFAOYSA-N -1 1 379.785 3.155 20 5 GGBDMM O=[N+]([O-])c1ccc(N2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c(-c2nnn[n-]2)c1 ZINC000823639651 1443168438 /nfs/dbraw/zinc/16/84/38/1443168438.db2.gz FFYVXMSNCXEOJJ-CXAGYDPISA-N -1 1 398.423 3.241 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2nnc(CSc3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000823634513 1443215684 /nfs/dbraw/zinc/21/56/84/1443215684.db2.gz JADXBXSUAGNGAP-UHFFFAOYSA-N -1 1 381.377 3.117 20 5 GGBDMM O=[N+]([O-])c1ccc(N[C@@H](c2ccccc2)C2CCOCC2)c(-c2nnn[n-]2)c1 ZINC000738371988 1443326425 /nfs/dbraw/zinc/32/64/25/1443326425.db2.gz ZTEJXSLAUREICB-SFHVURJKSA-N -1 1 380.408 3.355 20 5 GGBDMM CCN(C(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376544 1443353744 /nfs/dbraw/zinc/35/37/44/1443353744.db2.gz JBMZDBONKRKFIO-UHFFFAOYSA-N -1 1 386.799 3.024 20 5 GGBDMM CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1-c1nnn[n-]1 ZINC000825826030 1443359134 /nfs/dbraw/zinc/35/91/34/1443359134.db2.gz SKNGSHQXUIXHAC-UHFFFAOYSA-N -1 1 380.389 3.266 20 5 GGBDMM O=[N+]([O-])c1ccc2oc(CN(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)nc2c1 ZINC000823645193 1443382109 /nfs/dbraw/zinc/38/21/09/1443382109.db2.gz PDFHATBZDVXDGS-UHFFFAOYSA-N -1 1 391.391 3.081 20 5 GGBDMM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822229387 1443437593 /nfs/dbraw/zinc/43/75/93/1443437593.db2.gz SZAVVCAWTFCRPM-SNVBAGLBSA-N -1 1 385.359 3.105 20 5 GGBDMM Cc1c(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cccc1[N+](=O)[O-] ZINC000826236198 1443474430 /nfs/dbraw/zinc/47/44/30/1443474430.db2.gz BJNPAAFEARPQGL-UHFFFAOYSA-N -1 1 398.448 3.205 20 5 GGBDMM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000735670541 1443571583 /nfs/dbraw/zinc/57/15/83/1443571583.db2.gz ATVKGQHXORUWQP-UHFFFAOYSA-N -1 1 391.794 3.352 20 5 GGBDMM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823418316 1443596363 /nfs/dbraw/zinc/59/63/63/1443596363.db2.gz PMVHXABYNJWAIY-UHFFFAOYSA-N -1 1 395.709 3.064 20 5 GGBDMM CC(=CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000823942368 1443603650 /nfs/dbraw/zinc/60/36/50/1443603650.db2.gz CKVREANCMDVFKV-HJWRWDBZSA-N -1 1 384.421 3.495 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826498167 1443627838 /nfs/dbraw/zinc/62/78/38/1443627838.db2.gz JSCAAVCLCCQVCE-UHFFFAOYSA-N -1 1 396.798 3.431 20 5 GGBDMM C[C@H](COc1ccccc1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824448633 1443668260 /nfs/dbraw/zinc/66/82/60/1443668260.db2.gz JELVRDXBWUILLD-GFCCVEGCSA-N -1 1 391.391 3.203 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000826497689 1443678343 /nfs/dbraw/zinc/67/83/43/1443678343.db2.gz QCUUFKNGCQFUST-ZDUSSCGKSA-N -1 1 385.815 3.119 20 5 GGBDMM CC(=CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000823942891 1443722528 /nfs/dbraw/zinc/72/25/28/1443722528.db2.gz KUOVHUXIKBHGNU-XFXZXTDPSA-N -1 1 395.423 3.373 20 5 GGBDMM COc1ccc2oc([C@@H](C)Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])c(C)c2c1 ZINC000821854629 1443748036 /nfs/dbraw/zinc/74/80/36/1443748036.db2.gz PQNHNXALOSFQQG-SNVBAGLBSA-N -1 1 395.379 3.406 20 5 GGBDMM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000824611557 1443752208 /nfs/dbraw/zinc/75/22/08/1443752208.db2.gz BAKQIWMMHXOJPX-SNVBAGLBSA-N -1 1 390.350 3.227 20 5 GGBDMM O=[N+]([O-])c1ccc2nc(NCCCc3cccs3)cc(-c3nnn[n-]3)c2c1 ZINC000826499440 1443758783 /nfs/dbraw/zinc/75/87/83/1443758783.db2.gz IWRBJFHUVYIJDH-UHFFFAOYSA-N -1 1 381.421 3.429 20 5 GGBDMM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccccc1[N+](=O)[O-] ZINC000826459574 1443761225 /nfs/dbraw/zinc/76/12/25/1443761225.db2.gz POJULIZXHGRLHV-UHFFFAOYSA-N -1 1 393.388 3.151 20 5 GGBDMM O=[N+]([O-])c1cnc(SCc2ccc(Br)cc2)c(-c2nnn[n-]2)c1 ZINC000823651456 1443776360 /nfs/dbraw/zinc/77/63/60/1443776360.db2.gz KKIIKPUWESBUMP-UHFFFAOYSA-N -1 1 393.226 3.225 20 5 GGBDMM O=[N+]([O-])c1cccc(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)c1 ZINC000823647630 1443897915 /nfs/dbraw/zinc/89/79/15/1443897915.db2.gz NOHCGWSHBFNSKX-UHFFFAOYSA-N -1 1 381.783 3.011 20 5 GGBDMM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000824724086 1443914703 /nfs/dbraw/zinc/91/47/03/1443914703.db2.gz YIJFCCHXIRUNTA-LLVKDONJSA-N -1 1 390.359 3.241 20 5 GGBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822271197 1443927498 /nfs/dbraw/zinc/92/74/98/1443927498.db2.gz QCADBLMVZDAWLD-UHFFFAOYSA-N -1 1 392.297 3.354 20 5 GGBDMM CN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569209 1443929709 /nfs/dbraw/zinc/92/97/09/1443929709.db2.gz BXLNJHLJLBCSDK-UHFFFAOYSA-N -1 1 386.799 3.024 20 5 GGBDMM C[C@H](Cc1ccccc1C(F)(F)F)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000824458728 1443976107 /nfs/dbraw/zinc/97/61/07/1443976107.db2.gz YIZZCBBSRIDUTC-SECBINFHSA-N -1 1 393.329 3.232 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000826497467 1444019716 /nfs/dbraw/zinc/01/97/16/1444019716.db2.gz IHMSMIBVAFXMLN-UHFFFAOYSA-N -1 1 396.798 3.026 20 5 GGBDMM O=[N+]([O-])c1cnc(NCCc2ccc(Cl)cc2Cl)c(-c2nnn[n-]2)c1 ZINC000823651453 1446138816 /nfs/dbraw/zinc/13/88/16/1446138816.db2.gz KJMKERCRAWKIGO-UHFFFAOYSA-N -1 1 380.195 3.131 20 5 GGBDMM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000826252896 1446141262 /nfs/dbraw/zinc/14/12/62/1446141262.db2.gz XHQWWLFEXAWZEZ-GFCCVEGCSA-N -1 1 399.432 3.307 20 5 GGBDMM C[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000736137163 1446273206 /nfs/dbraw/zinc/27/32/06/1446273206.db2.gz KOTAYZNYCAVZOP-QMMMGPOBSA-N -1 1 379.302 3.362 20 5 GGBDMM Cc1noc(C(C)C)c1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826338188 1446282787 /nfs/dbraw/zinc/28/27/87/1446282787.db2.gz NJPNIYVURUTESR-UHFFFAOYSA-N -1 1 391.775 3.100 20 5 GGBDMM CC(C)Cn1ncc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1C(F)F ZINC000824284872 1446291368 /nfs/dbraw/zinc/29/13/68/1446291368.db2.gz QGFDLUDMHDWSFE-UHFFFAOYSA-N -1 1 378.343 3.309 20 5 GGBDMM CCOC(=O)c1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000821337768 1446317115 /nfs/dbraw/zinc/31/71/15/1446317115.db2.gz NJGSOSNLXNLIFR-LLVKDONJSA-N -1 1 382.380 3.125 20 5 GGBDMM Cc1ccccc1[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000822352164 1446401857 /nfs/dbraw/zinc/40/18/57/1446401857.db2.gz VPLAUHHMOIITCS-UGSOOPFHSA-N -1 1 380.408 3.050 20 5 GGBDMM CCNc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1[N+](=O)[O-] ZINC000821308896 1446407470 /nfs/dbraw/zinc/40/74/70/1446407470.db2.gz HMQXTPGUSUBNSO-UHFFFAOYSA-N -1 1 387.787 3.112 20 5 GGBDMM C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820380059 1446429843 /nfs/dbraw/zinc/42/98/43/1446429843.db2.gz KKMPRHPTLAMVEN-VIFPVBQESA-N -1 1 387.787 3.311 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2nc(CSc3cc(-c4nn[n-]n4)ccn3)co2)cc1 ZINC000826498456 1446472068 /nfs/dbraw/zinc/47/20/68/1446472068.db2.gz VROGIBDQQDHIPD-UHFFFAOYSA-N -1 1 381.377 3.117 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(Cc1ccccc1)CC1CCOCC1 ZINC000738359592 1446573411 /nfs/dbraw/zinc/57/34/11/1446573411.db2.gz TWPLVNYCQFYXMV-UHFFFAOYSA-N -1 1 394.435 3.208 20 5 GGBDMM CN(C)c1cccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000736778826 1446591151 /nfs/dbraw/zinc/59/11/51/1446591151.db2.gz GGXTWZPXRYNWNH-KRWDZBQOSA-N -1 1 379.424 3.182 20 5 GGBDMM CCCNc1ccc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000821118502 1446689128 /nfs/dbraw/zinc/68/91/28/1446689128.db2.gz NYJKBHVXTOKLBF-BJMVGYQFSA-N -1 1 393.407 3.249 20 5 GGBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825674048 1446754084 /nfs/dbraw/zinc/75/40/84/1446754084.db2.gz GSZRFTLPFYVPRG-NSHDSACASA-N -1 1 398.448 3.378 20 5 GGBDMM Cc1ccc(-c2nnn[n-]2)cc1NCc1c(Br)cccc1[N+](=O)[O-] ZINC000826278474 1446815878 /nfs/dbraw/zinc/81/58/78/1446815878.db2.gz FAQONOFILAUOOC-UHFFFAOYSA-N -1 1 389.213 3.458 20 5 GGBDMM O=[N+]([O-])c1ccc(-c2noc(CSCc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000738359690 1446848719 /nfs/dbraw/zinc/84/87/19/1446848719.db2.gz MAACAYUWLAVNKA-UHFFFAOYSA-N -1 1 395.404 3.258 20 5 GGBDMM COc1cc(F)c([C@@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1OC ZINC000737053726 1446873436 /nfs/dbraw/zinc/87/34/36/1446873436.db2.gz LCSCMVUDQWBPAS-SECBINFHSA-N -1 1 388.359 3.104 20 5 GGBDMM O=[N+]([O-])c1cc(Br)ccc1Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823635498 1446956556 /nfs/dbraw/zinc/95/65/56/1446956556.db2.gz YITFKMYSGIEFEB-UHFFFAOYSA-N -1 1 380.133 3.469 20 5 GGBDMM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000826466713 1446960450 /nfs/dbraw/zinc/96/04/50/1446960450.db2.gz PZUFUXRITMSVNP-UHFFFAOYSA-N -1 1 383.295 3.017 20 5 GGBDMM O=[N+]([O-])c1ccccc1C[N@@H+](CCCOc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000826499957 1446995640 /nfs/dbraw/zinc/99/56/40/1446995640.db2.gz GDSFEOROPWFXLI-UHFFFAOYSA-N -1 1 394.435 3.208 20 5 GGBDMM O=[N+]([O-])c1ccccc1CN(CCCOc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000826499957 1446995641 /nfs/dbraw/zinc/99/56/41/1446995641.db2.gz GDSFEOROPWFXLI-UHFFFAOYSA-N -1 1 394.435 3.208 20 5 GGBDMM O=[N+]([O-])c1ccccc1CN(CCCOc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000826499957 1446995642 /nfs/dbraw/zinc/99/56/42/1446995642.db2.gz GDSFEOROPWFXLI-UHFFFAOYSA-N -1 1 394.435 3.208 20 5 GGBDMM CC(C)[C@H]1OCCC[C@H]1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820047304 1447038461 /nfs/dbraw/zinc/03/84/61/1447038461.db2.gz XBEGZUMLCSQVBP-KPZWWZAWSA-N -1 1 397.439 3.186 20 5 GGBDMM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccccc1F ZINC000824044997 1447167583 /nfs/dbraw/zinc/16/75/83/1447167583.db2.gz CNKIMJCJPCKUPL-QMMMGPOBSA-N -1 1 390.762 3.310 20 5 GGBDMM O=[N+]([O-])c1cc(N2CCC(c3nc4ccccc4[nH]3)CC2)ccc1-c1nnn[n-]1 ZINC000823634680 1447231774 /nfs/dbraw/zinc/23/17/74/1447231774.db2.gz JVWWJBSGGNFHOW-UHFFFAOYSA-N -1 1 390.407 3.035 20 5 GGBDMM CC(C)(CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCCCO1 ZINC000819984034 1447282186 /nfs/dbraw/zinc/28/21/86/1447282186.db2.gz NYODAHSUHBYMMI-INIZCTEOSA-N -1 1 397.439 3.330 20 5 GGBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1Br ZINC000820461669 1447320135 /nfs/dbraw/zinc/32/01/35/1447320135.db2.gz PGYMJCIYPVZKGD-MRVPVSSYSA-N -1 1 390.201 3.106 20 5 GGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000823630251 1447323311 /nfs/dbraw/zinc/32/33/11/1447323311.db2.gz UHTLTXZHZHGMNZ-QGZVFWFLSA-N -1 1 394.435 3.003 20 5 GGBDMM COc1ccc(-c2nnn[n-]2)cc1NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000737061570 1447340833 /nfs/dbraw/zinc/34/08/33/1447340833.db2.gz AXFIUZMNRRKBCE-UHFFFAOYSA-N -1 1 384.396 3.183 20 5 GGBDMM CC(C)(C)OC(=O)C1CCC(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000824093408 1449160224 /nfs/dbraw/zinc/16/02/24/1449160224.db2.gz HEZJBIIIDOWFBY-UHFFFAOYSA-N -1 1 388.428 3.087 20 5 GGBDMM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826454155 1449224257 /nfs/dbraw/zinc/22/42/57/1449224257.db2.gz LGTLHKJDUUWAOQ-UHFFFAOYSA-N -1 1 396.260 3.185 20 5 GGBDMM CC(C)(C)c1ccc([C@@H](O)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000735648870 1449313177 /nfs/dbraw/zinc/31/31/77/1449313177.db2.gz IETTXTIAGJMKLF-KRWDZBQOSA-N -1 1 382.424 3.218 20 5 GGBDMM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826452090 1449350843 /nfs/dbraw/zinc/35/08/43/1449350843.db2.gz HKCLKRHBZFRDPG-UHFFFAOYSA-N -1 1 399.798 3.019 20 5 GGBDMM O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000738268693 1449395584 /nfs/dbraw/zinc/39/55/84/1449395584.db2.gz RDMNDFJEKOORAS-CYBMUJFWSA-N -1 1 396.382 3.013 20 5 GGBDMM Cc1cccc(CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000822304474 1449431473 /nfs/dbraw/zinc/43/14/73/1449431473.db2.gz YJELPKQTOSSJTI-UHFFFAOYSA-N -1 1 375.392 3.286 20 5 GGBDMM O=[N+]([O-])c1ccccc1CNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826500715 1449442611 /nfs/dbraw/zinc/44/26/11/1449442611.db2.gz JNSYAFFIJWQQMX-UHFFFAOYSA-N -1 1 396.798 3.226 20 5 GGBDMM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000826459673 1449456840 /nfs/dbraw/zinc/45/68/40/1449456840.db2.gz UFMHWERTDOBANN-UHFFFAOYSA-N -1 1 393.388 3.151 20 5 GGBDMM Cc1c(CC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826236390 1449488916 /nfs/dbraw/zinc/48/89/16/1449488916.db2.gz KCYOGQXFBJTGFP-UHFFFAOYSA-N -1 1 387.783 3.023 20 5 GGBDMM CC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000820921037 1449521825 /nfs/dbraw/zinc/52/18/25/1449521825.db2.gz VBBGIFDFXBNXIF-CQSZACIVSA-N -1 1 397.395 3.056 20 5 GGBDMM Cc1ccc(CCC2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cc1 ZINC000822236378 1449583266 /nfs/dbraw/zinc/58/32/66/1449583266.db2.gz WRXGSTURSJFSNP-UHFFFAOYSA-N -1 1 393.451 3.328 20 5 GGBDMM CCc1oc2ccccc2c1CN(C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821563930 1449695894 /nfs/dbraw/zinc/69/58/94/1449695894.db2.gz MROXWHYAOHGJFI-UHFFFAOYSA-N -1 1 379.380 3.115 20 5 GGBDMM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000825693875 1449790416 /nfs/dbraw/zinc/79/04/16/1449790416.db2.gz GVZKYHUIILBTMY-UHFFFAOYSA-N -1 1 397.420 3.061 20 5 GGBDMM C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820351406 1449886800 /nfs/dbraw/zinc/88/68/00/1449886800.db2.gz OLBFFDRLSUWYDE-LBPRGKRZSA-N -1 1 395.423 3.070 20 5 GGBDMM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823065974 1449925694 /nfs/dbraw/zinc/92/56/94/1449925694.db2.gz HEGDDZHYTBERGB-UHFFFAOYSA-N -1 1 390.812 3.159 20 5 GGBDMM CCOc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000821417552 1449965151 /nfs/dbraw/zinc/96/51/51/1449965151.db2.gz OJWGKDDCHFDQNN-NSHDSACASA-N -1 1 383.364 3.092 20 5 GGBDMM C[C@H](CN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1nccs1 ZINC000824413288 1450092222 /nfs/dbraw/zinc/09/22/22/1450092222.db2.gz KHXITSHIKRQASA-SNVBAGLBSA-N -1 1 396.436 3.020 20 5 GGBDMM CN(CCc1cccs1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821607446 1450132034 /nfs/dbraw/zinc/13/20/34/1450132034.db2.gz OPXYRUHCHNDYBE-UHFFFAOYSA-N -1 1 381.421 3.064 20 5 GGBDMM O=[N+]([O-])c1ccc(CCNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000738361731 1450132238 /nfs/dbraw/zinc/13/22/38/1450132238.db2.gz ZJWVVOCANATDMB-UHFFFAOYSA-N -1 1 378.314 3.448 20 5 GGBDMM O=[N+]([O-])c1cnc(Nc2ccc(Nc3ccccc3)nc2)c(-c2nnn[n-]2)c1 ZINC000738375340 1450214776 /nfs/dbraw/zinc/21/47/76/1450214776.db2.gz YUMOAKCDSDZALD-UHFFFAOYSA-N -1 1 375.352 3.052 20 5 GGBDMM O=C(c1ccc(F)cc1)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000738268696 1450280869 /nfs/dbraw/zinc/28/08/69/1450280869.db2.gz RDMNDFJEKOORAS-ZDUSSCGKSA-N -1 1 396.382 3.013 20 5 GGBDMM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccs1 ZINC000824046175 1450362526 /nfs/dbraw/zinc/36/25/26/1450362526.db2.gz QCVOPQIVEAEDNW-SSDOTTSWSA-N -1 1 378.801 3.232 20 5 GGBDMM C[C@]1(c2ccccc2)C[C@@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820634797 1450445995 /nfs/dbraw/zinc/44/59/95/1450445995.db2.gz KATHWKWWOUPCTC-FXAWDEMLSA-N -1 1 387.403 3.465 20 5 GGBDMM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000821613532 1450459309 /nfs/dbraw/zinc/45/93/09/1450459309.db2.gz REVDEMIZWJRNOT-UHFFFAOYSA-N -1 1 376.323 3.013 20 5 GGBDMM C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820391111 1450491528 /nfs/dbraw/zinc/49/15/28/1450491528.db2.gz NFZGBMIFMQEOJX-JTQLQIEISA-N -1 1 394.416 3.481 20 5 GGBDMM O=[N+]([O-])c1cc(Cl)ccc1N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826497955 1450523718 /nfs/dbraw/zinc/52/37/18/1450523718.db2.gz ALINPOLJFSDVFX-INIZCTEOSA-N -1 1 386.799 3.006 20 5 GGBDMM