smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(C(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000008633143 1069025685 /nfs/dbraw/zinc/02/56/85/1069025685.db2.gz PPZMCHKIDZWSBC-LLVKDONJSA-N 0 0 453.429 -0.230 20 5 JBBDRN CCN(C(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000008633145 1069025460 /nfs/dbraw/zinc/02/54/60/1069025460.db2.gz PPZMCHKIDZWSBC-NSHDSACASA-N 0 0 453.429 -0.230 20 5 JBBDRN CC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000009049182 1069025800 /nfs/dbraw/zinc/02/58/00/1069025800.db2.gz ZDTYVKSFFQJZTA-UHFFFAOYSA-N 0 0 456.477 -0.315 20 5 JBBDRN NC(=O)COC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000009066312 1069025747 /nfs/dbraw/zinc/02/57/47/1069025747.db2.gz AKJQIHAVXYGDCM-UHFFFAOYSA-N 0 0 456.477 -0.139 20 5 JBBDRN CNc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(C(C)=O)CC2)cc1[N+](=O)[O-] ZINC000009215577 1069025372 /nfs/dbraw/zinc/02/53/72/1069025372.db2.gz FHVYLFXLWKRNSC-UHFFFAOYSA-N 0 0 457.465 -0.851 20 5 JBBDRN CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(C(C)=O)CC2)cc1[N+](=O)[O-] ZINC000009550503 1069025538 /nfs/dbraw/zinc/02/55/38/1069025538.db2.gz ZGJPSOFYBAZJNX-UHFFFAOYSA-N 0 0 474.517 -0.171 20 5 JBBDRN O=C(CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)OCC(=O)N1CCNC1=O ZINC000009557183 1069025725 /nfs/dbraw/zinc/02/57/25/1069025725.db2.gz RFDLQNORCCKLSZ-UHFFFAOYSA-N 0 0 455.449 -0.432 20 5 JBBDRN CC(=O)N1CCN(C(=O)COC(=O)CNS(=O)(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000009557253 1069025390 /nfs/dbraw/zinc/02/53/90/1069025390.db2.gz JHVYSGPAYKWDCZ-UHFFFAOYSA-N 0 0 497.530 -0.293 20 5 JBBDRN O=C(CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)OCC(=O)N1CCOCC1 ZINC000009557455 1069025417 /nfs/dbraw/zinc/02/54/17/1069025417.db2.gz RXDQHZSVNQMISY-UHFFFAOYSA-N 0 0 456.477 -0.125 20 5 JBBDRN Cn1cc(/C=C/C(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=O)n(C)c1=O ZINC000010201355 1069025559 /nfs/dbraw/zinc/02/55/59/1069025559.db2.gz INTAJPYBRYUMNH-FPYGCLRLSA-N 0 0 457.443 -0.103 20 5 JBBDRN Cc1cc(=O)c(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000010205993 1069025621 /nfs/dbraw/zinc/02/56/21/1069025621.db2.gz UVPUJJQFGAGBBT-UHFFFAOYSA-N 0 0 484.469 -0.408 20 5 JBBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000010206362 1069025438 /nfs/dbraw/zinc/02/54/38/1069025438.db2.gz INVVYNRPMJOQGD-UHFFFAOYSA-N 0 0 475.458 -0.188 20 5 JBBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1OC ZINC000010207364 1067743248 /nfs/dbraw/zinc/74/32/48/1067743248.db2.gz NKTRPCAADKDVFK-UHFFFAOYSA-N 0 0 480.474 -0.228 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n(C)c(=O)n3C)CC2)cc1[N+](=O)[O-] ZINC000010840921 1069026107 /nfs/dbraw/zinc/02/61/07/1069026107.db2.gz BXBSSWPFAQJPIJ-UHFFFAOYSA-N 0 0 453.477 -0.493 20 5 JBBDRN Cn1c(=O)cc(COC(=O)CNS(=O)(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n(C)c1=O ZINC000011199239 1069026429 /nfs/dbraw/zinc/02/64/29/1069026429.db2.gz GESPVUYAUGRDTA-UHFFFAOYSA-N 0 0 481.487 -0.386 20 5 JBBDRN CSc1ccc(S(=O)(=O)NCC(=O)OCc2cc(=O)n(C)c(=O)n2C)cc1[N+](=O)[O-] ZINC000011204032 1069026035 /nfs/dbraw/zinc/02/60/35/1069026035.db2.gz SPCSERBSCMZXGT-UHFFFAOYSA-N 0 0 458.474 -0.264 20 5 JBBDRN CC(C)Nc1ccc(S(=O)(=O)NCC(=O)OCc2cc(=O)n(C)c(=O)n2C)cc1[N+](=O)[O-] ZINC000011294915 1069026965 /nfs/dbraw/zinc/02/69/65/1069026965.db2.gz IMYWLDMQUMUQRT-UHFFFAOYSA-N 0 0 469.476 -0.166 20 5 JBBDRN CCN(C(=O)COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000011388638 1069026723 /nfs/dbraw/zinc/02/67/23/1069026723.db2.gz CAMBJVMCICWOOF-GFCCVEGCSA-N 0 0 453.429 -0.230 20 5 JBBDRN CCN(C(=O)COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000011388642 1069026619 /nfs/dbraw/zinc/02/66/19/1069026619.db2.gz CAMBJVMCICWOOF-LBPRGKRZSA-N 0 0 453.429 -0.230 20 5 JBBDRN Cc1cc(C(=O)NCC(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC000011626497 1069028634 /nfs/dbraw/zinc/02/86/34/1069028634.db2.gz CMAABIJGPCKTEC-MRXNPFEDSA-N 0 0 482.515 -0.492 20 5 JBBDRN Cc1cc(C(=O)NCC(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC000011626501 1069029047 /nfs/dbraw/zinc/02/90/47/1069029047.db2.gz CMAABIJGPCKTEC-INIZCTEOSA-N 0 0 482.515 -0.492 20 5 JBBDRN Cn1ncc2c1ncn(CC(=O)OCC(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)c2=O ZINC000012057213 1069032489 /nfs/dbraw/zinc/03/24/89/1069032489.db2.gz OLLFPJLSAKWNKI-UHFFFAOYSA-N 0 0 455.431 -0.070 20 5 JBBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC(=O)N3CCNC(=O)C3)CC2)c([N+](=O)[O-])c1 ZINC000012819266 1069032757 /nfs/dbraw/zinc/03/27/57/1069032757.db2.gz KFXSGCNBTVMYOR-UHFFFAOYSA-N 0 0 482.563 -0.294 20 5 JBBDRN CS(=O)(=O)c1ccc(NCCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)c([N+](=O)[O-])c1 ZINC000012829067 1069032842 /nfs/dbraw/zinc/03/28/42/1069032842.db2.gz YGZHSNJPGYPPPV-UHFFFAOYSA-N 0 0 490.292 -0.161 20 5 JBBDRN Cn1ncc2c1ncn(CC(=O)N1CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC1)c2=O ZINC000014044309 1067709812 /nfs/dbraw/zinc/70/98/12/1067709812.db2.gz XRMYBZYOKQYDBO-UHFFFAOYSA-N 0 0 461.460 -0.429 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc4c(cnn4C)c3=O)CC2)cc1[N+](=O)[O-] ZINC000014061415 1067710494 /nfs/dbraw/zinc/71/04/94/1067710494.db2.gz XYOCTKLYGIZWIG-UHFFFAOYSA-N 0 0 491.486 -0.420 20 5 JBBDRN CS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000014321714 1067712052 /nfs/dbraw/zinc/71/20/52/1067712052.db2.gz QBBSCCGHQGUXOW-UHFFFAOYSA-N 0 0 454.461 -0.859 20 5 JBBDRN O=C(CN1CCOCC1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000014324852 1067711971 /nfs/dbraw/zinc/71/19/71/1067711971.db2.gz JUIGLLZQWRBEFU-UHFFFAOYSA-N 0 0 483.547 -0.404 20 5 JBBDRN O=C(CN1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1 ZINC000014324860 1067711980 /nfs/dbraw/zinc/71/19/80/1067711980.db2.gz ZPOINNAJVZSKJZ-UHFFFAOYSA-N 0 0 483.547 -0.404 20 5 JBBDRN CN1CCN(S(=O)(=O)c2ccc(N3CCN(C(=O)CN4CCOCC4)CC3)c([N+](=O)[O-])c2)CC1 ZINC000014325154 1067712100 /nfs/dbraw/zinc/71/21/00/1067712100.db2.gz LAYLUYIWZNEIOB-UHFFFAOYSA-N 0 0 496.590 -0.488 20 5 JBBDRN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000014343926 1067712463 /nfs/dbraw/zinc/71/24/63/1067712463.db2.gz RQOKFNCLLYVUNB-UHFFFAOYSA-N 0 0 451.461 -0.254 20 5 JBBDRN Cn1ncc2c1ncn(CC(=O)N1CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC1)c2=O ZINC000014343951 1067712453 /nfs/dbraw/zinc/71/24/53/1067712453.db2.gz WDILPLMQITVOGH-UHFFFAOYSA-N 0 0 461.460 -0.429 20 5 JBBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000014344025 1067712391 /nfs/dbraw/zinc/71/23/91/1067712391.db2.gz XMMQKYJOXSWQEA-UHFFFAOYSA-N 0 0 475.487 -0.120 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)CC2)cc1[N+](=O)[O-] ZINC000014417723 1067712972 /nfs/dbraw/zinc/71/29/72/1067712972.db2.gz ZLOYDGWMGYICPW-UHFFFAOYSA-N 0 0 481.487 -0.246 20 5 JBBDRN Cn1ncc2c1ncn(CC(=O)N1CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC1)c2=O ZINC000014529685 1067713010 /nfs/dbraw/zinc/71/30/10/1067713010.db2.gz SRJQQHRWBIWEJZ-UHFFFAOYSA-N 0 0 475.487 -0.210 20 5 JBBDRN C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000014916015 1067713684 /nfs/dbraw/zinc/71/36/84/1067713684.db2.gz CULHJLQYNHDRCW-ZIAGYGMSSA-N 0 0 460.534 -0.407 20 5 JBBDRN C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000014916016 1067713758 /nfs/dbraw/zinc/71/37/58/1067713758.db2.gz CULHJLQYNHDRCW-UONOGXRCSA-N 0 0 460.534 -0.407 20 5 JBBDRN C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000014916017 1067713867 /nfs/dbraw/zinc/71/38/67/1067713867.db2.gz CULHJLQYNHDRCW-KGLIPLIRSA-N 0 0 460.534 -0.407 20 5 JBBDRN C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000014916018 1067713664 /nfs/dbraw/zinc/71/36/64/1067713664.db2.gz CULHJLQYNHDRCW-KBPBESRZSA-N 0 0 460.534 -0.407 20 5 JBBDRN C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000014916144 1067713694 /nfs/dbraw/zinc/71/36/94/1067713694.db2.gz KZSXNXVSXSRUFN-ZIAGYGMSSA-N 0 0 460.534 -0.407 20 5 JBBDRN C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000014916145 1067713788 /nfs/dbraw/zinc/71/37/88/1067713788.db2.gz KZSXNXVSXSRUFN-UONOGXRCSA-N 0 0 460.534 -0.407 20 5 JBBDRN C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000014916146 1067713853 /nfs/dbraw/zinc/71/38/53/1067713853.db2.gz KZSXNXVSXSRUFN-KGLIPLIRSA-N 0 0 460.534 -0.407 20 5 JBBDRN C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000014916147 1067713782 /nfs/dbraw/zinc/71/37/82/1067713782.db2.gz KZSXNXVSXSRUFN-KBPBESRZSA-N 0 0 460.534 -0.407 20 5 JBBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000014916264 1067714143 /nfs/dbraw/zinc/71/41/43/1067714143.db2.gz YCAOUZGZUYUPRB-HUUCEWRRSA-N 0 0 474.561 -0.099 20 5 JBBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000014916265 1067714197 /nfs/dbraw/zinc/71/41/97/1067714197.db2.gz YCAOUZGZUYUPRB-LSDHHAIUSA-N 0 0 474.561 -0.099 20 5 JBBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000014916266 1067714155 /nfs/dbraw/zinc/71/41/55/1067714155.db2.gz YCAOUZGZUYUPRB-CABCVRRESA-N 0 0 474.561 -0.099 20 5 JBBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000014916267 1067714064 /nfs/dbraw/zinc/71/40/64/1067714064.db2.gz YCAOUZGZUYUPRB-GJZGRUSLSA-N 0 0 474.561 -0.099 20 5 JBBDRN CC1(C)NC(=O)N(CC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C1=O ZINC000015035561 1067716291 /nfs/dbraw/zinc/71/62/91/1067716291.db2.gz JITHVMPIAGZAJS-UHFFFAOYSA-N 0 0 453.477 -0.023 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000015108130 1067719216 /nfs/dbraw/zinc/71/92/16/1067719216.db2.gz ZHYSDKUDXGXGSH-UONOGXRCSA-N 0 0 490.560 -0.399 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000015108133 1067743289 /nfs/dbraw/zinc/74/32/89/1067743289.db2.gz ZHYSDKUDXGXGSH-ZIAGYGMSSA-N 0 0 490.560 -0.399 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000015108137 1067719208 /nfs/dbraw/zinc/71/92/08/1067719208.db2.gz ZHYSDKUDXGXGSH-KBPBESRZSA-N 0 0 490.560 -0.399 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000015108141 1067719315 /nfs/dbraw/zinc/71/93/15/1067719315.db2.gz ZHYSDKUDXGXGSH-KGLIPLIRSA-N 0 0 490.560 -0.399 20 5 JBBDRN COCCNC(=O)CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000015117244 1067719696 /nfs/dbraw/zinc/71/96/96/1067719696.db2.gz DPIDWLJVHOUUJO-UHFFFAOYSA-N 0 0 471.536 -0.500 20 5 JBBDRN COCCNC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1 ZINC000015117254 1067719761 /nfs/dbraw/zinc/71/97/61/1067719761.db2.gz SRJZIGQMTDOBFI-UHFFFAOYSA-N 0 0 471.536 -0.500 20 5 JBBDRN COCCNC(=O)CN1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC1 ZINC000015117361 1067719765 /nfs/dbraw/zinc/71/97/65/1067719765.db2.gz GUVDAIOQNUHOMA-UHFFFAOYSA-N 0 0 484.579 -0.585 20 5 JBBDRN CCN(CC)S(=O)(=O)c1ccc(OS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c([N+](=O)[O-])c1 ZINC000015326644 1067733948 /nfs/dbraw/zinc/73/39/48/1067733948.db2.gz QFIDCUWLMDXNBV-UHFFFAOYSA-N 0 0 476.489 -0.210 20 5 JBBDRN CN(S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000015327451 1068998898 /nfs/dbraw/zinc/99/88/98/1068998898.db2.gz XSRFOKSFPZKVEU-UHFFFAOYSA-N 0 0 452.854 -0.345 20 5 JBBDRN CCCNC(=O)CN(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000015450078 1067736156 /nfs/dbraw/zinc/73/61/56/1067736156.db2.gz IZUAHAQLBYDWNI-UHFFFAOYSA-N 0 0 471.536 -0.106 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)CC2)cc1[N+](=O)[O-] ZINC000015687264 1067752896 /nfs/dbraw/zinc/75/28/96/1067752896.db2.gz YHQTYFBGGISAAX-UHFFFAOYSA-N 0 0 469.476 -0.233 20 5 JBBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c([N+](=O)[O-])c1 ZINC000015799786 1067754831 /nfs/dbraw/zinc/75/48/31/1067754831.db2.gz RAPCKTXIZOXBOU-SNVBAGLBSA-N 0 0 460.403 -0.079 20 5 JBBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c([N+](=O)[O-])c1 ZINC000015799788 1067754787 /nfs/dbraw/zinc/75/47/87/1067754787.db2.gz RAPCKTXIZOXBOU-JTQLQIEISA-N 0 0 460.403 -0.079 20 5 JBBDRN COc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000015853137 1067755622 /nfs/dbraw/zinc/75/56/22/1067755622.db2.gz ANOZPAQOTMULBI-WCQYABFASA-N 0 0 457.461 -0.090 20 5 JBBDRN COc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000015853138 1067755699 /nfs/dbraw/zinc/75/56/99/1067755699.db2.gz ANOZPAQOTMULBI-DGCLKSJQSA-N 0 0 457.461 -0.090 20 5 JBBDRN COc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000015853139 1067755469 /nfs/dbraw/zinc/75/54/69/1067755469.db2.gz ANOZPAQOTMULBI-AAEUAGOBSA-N 0 0 457.461 -0.090 20 5 JBBDRN COc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000015853140 1067755631 /nfs/dbraw/zinc/75/56/31/1067755631.db2.gz ANOZPAQOTMULBI-YPMHNXCESA-N 0 0 457.461 -0.090 20 5 JBBDRN COc1ccc(NC(=O)COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c([N+](=O)[O-])c1 ZINC000016161219 1067758170 /nfs/dbraw/zinc/75/81/70/1067758170.db2.gz WXFBTOIHCLIITJ-UHFFFAOYSA-N 0 0 460.403 -0.078 20 5 JBBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000016161251 1067758243 /nfs/dbraw/zinc/75/82/43/1067758243.db2.gz HKFQNEACQZBVSE-UHFFFAOYSA-N 0 0 460.403 -0.078 20 5 JBBDRN Cn1c2ncn(CCC(=O)OCC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2c(=O)n(C)c1=O ZINC000016162756 1067759039 /nfs/dbraw/zinc/75/90/39/1067759039.db2.gz KWEJTDVKCANTLS-UHFFFAOYSA-N 0 0 499.484 -0.376 20 5 JBBDRN Cn1c2ncn(CCC(=O)OCC(=O)N3CCc4cc([N+](=O)[O-])ccc43)c2c(=O)n(C)c1=O ZINC000016163521 1067758981 /nfs/dbraw/zinc/75/89/81/1067758981.db2.gz OZSGXSIBPFPOSS-UHFFFAOYSA-N 0 0 456.415 -0.136 20 5 JBBDRN CN(CC(=O)N1CCOCC1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000016223009 1067760224 /nfs/dbraw/zinc/76/02/24/1067760224.db2.gz XOKRUYVXHZDDKU-UHFFFAOYSA-N 0 0 486.503 -0.688 20 5 JBBDRN CS(=O)(=O)CC[C@@H]1NC(=O)N(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000016573962 1067766881 /nfs/dbraw/zinc/76/68/81/1067766881.db2.gz SHTUWDIDJTZCBV-HNNXBMFYSA-N 0 0 453.477 -0.402 20 5 JBBDRN CS(=O)(=O)CC[C@H]1NC(=O)N(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000016573963 1067635007 /nfs/dbraw/zinc/63/50/07/1067635007.db2.gz SHTUWDIDJTZCBV-OAHLLOKOSA-N 0 0 453.477 -0.402 20 5 JBBDRN C[C@@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000016713713 1067771077 /nfs/dbraw/zinc/77/10/77/1067771077.db2.gz VOCBFYOHHIOFAM-GHMZBOCLSA-N 0 0 453.429 -0.232 20 5 JBBDRN C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000016713715 1067770820 /nfs/dbraw/zinc/77/08/20/1067770820.db2.gz VOCBFYOHHIOFAM-WDEREUQCSA-N 0 0 453.429 -0.232 20 5 JBBDRN C[C@@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000016713717 1067771113 /nfs/dbraw/zinc/77/11/13/1067771113.db2.gz VOCBFYOHHIOFAM-MNOVXSKESA-N 0 0 453.429 -0.232 20 5 JBBDRN C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000016713719 1067771069 /nfs/dbraw/zinc/77/10/69/1067771069.db2.gz VOCBFYOHHIOFAM-QWRGUYRKSA-N 0 0 453.429 -0.232 20 5 JBBDRN O=C(C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000016738098 1068072918 /nfs/dbraw/zinc/07/29/18/1068072918.db2.gz DIBCZEUQHHNXIL-UHFFFAOYSA-N 0 0 497.530 -0.877 20 5 JBBDRN O=C(C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1)N1CCOCC1 ZINC000016738104 1067770858 /nfs/dbraw/zinc/77/08/58/1067770858.db2.gz IZEXWTDOPZOPNL-UHFFFAOYSA-N 0 0 497.530 -0.877 20 5 JBBDRN C[C@@H](OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000017053324 1067774740 /nfs/dbraw/zinc/77/47/40/1067774740.db2.gz ZWZGCCPELWDKMY-ZYHUDNBSSA-N 0 0 453.429 -0.232 20 5 JBBDRN C[C@H](OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000017053328 1067774598 /nfs/dbraw/zinc/77/45/98/1067774598.db2.gz ZWZGCCPELWDKMY-CMPLNLGQSA-N 0 0 453.429 -0.232 20 5 JBBDRN C[C@@H](OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000017053331 1067774617 /nfs/dbraw/zinc/77/46/17/1067774617.db2.gz ZWZGCCPELWDKMY-PWSUYJOCSA-N 0 0 453.429 -0.232 20 5 JBBDRN C[C@H](OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000017053335 1067774529 /nfs/dbraw/zinc/77/45/29/1067774529.db2.gz ZWZGCCPELWDKMY-JQWIXIFHSA-N 0 0 453.429 -0.232 20 5 JBBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c([N+](=O)[O-])c1 ZINC000017110017 1067774994 /nfs/dbraw/zinc/77/49/94/1067774994.db2.gz ZZPFFDVSTCSXHO-SNVBAGLBSA-N 0 0 460.403 -0.079 20 5 JBBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c([N+](=O)[O-])c1 ZINC000017110019 1067775134 /nfs/dbraw/zinc/77/51/34/1067775134.db2.gz ZZPFFDVSTCSXHO-JTQLQIEISA-N 0 0 460.403 -0.079 20 5 JBBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000017282893 1068077961 /nfs/dbraw/zinc/07/79/61/1068077961.db2.gz DBPGDNHSAKGWMM-OAHLLOKOSA-N 0 0 474.561 -0.075 20 5 JBBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000017282895 1068078121 /nfs/dbraw/zinc/07/81/21/1068078121.db2.gz DBPGDNHSAKGWMM-HNNXBMFYSA-N 0 0 474.561 -0.075 20 5 JBBDRN O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000017282914 1067776218 /nfs/dbraw/zinc/77/62/18/1067776218.db2.gz JFQCEKQOYHQDKG-MRXNPFEDSA-N 0 0 474.561 -0.075 20 5 JBBDRN O=[N+]([O-])c1ccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000017282917 1067776282 /nfs/dbraw/zinc/77/62/82/1067776282.db2.gz JFQCEKQOYHQDKG-INIZCTEOSA-N 0 0 474.561 -0.075 20 5 JBBDRN CN1CCN(S(=O)(=O)c2ccc(N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c([N+](=O)[O-])c2)CC1 ZINC000017283031 1068077910 /nfs/dbraw/zinc/07/79/10/1068077910.db2.gz GYLYFHAXCWTBLW-MRXNPFEDSA-N 0 0 487.604 -0.160 20 5 JBBDRN CN1CCN(S(=O)(=O)c2ccc(N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c([N+](=O)[O-])c2)CC1 ZINC000017283034 1068078036 /nfs/dbraw/zinc/07/80/36/1068078036.db2.gz GYLYFHAXCWTBLW-INIZCTEOSA-N 0 0 487.604 -0.160 20 5 JBBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)CC2)c([N+](=O)[O-])c1 ZINC000018040642 1067885794 /nfs/dbraw/zinc/88/57/94/1067885794.db2.gz NXCPCNXMFIHHAA-UHFFFAOYSA-N 0 0 494.530 -0.176 20 5 JBBDRN CN1CCN(S(=O)(=O)c2ccc(N3CCN(CC(=O)NC4CC4)CC3)c([N+](=O)[O-])c2)CC1 ZINC000018059423 1067885806 /nfs/dbraw/zinc/88/58/06/1067885806.db2.gz NTFQKFOCAHEZMD-UHFFFAOYSA-N 0 0 466.564 -0.069 20 5 JBBDRN C[C@@H](NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)C(N)=O ZINC000018234763 1067894376 /nfs/dbraw/zinc/89/43/76/1067894376.db2.gz OSSXDNRIWQJQCL-CYBMUJFWSA-N 0 0 469.520 -0.178 20 5 JBBDRN C[C@H](NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)C(N)=O ZINC000018234764 1067894350 /nfs/dbraw/zinc/89/43/50/1067894350.db2.gz OSSXDNRIWQJQCL-ZDUSSCGKSA-N 0 0 469.520 -0.178 20 5 JBBDRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000018242594 1067897095 /nfs/dbraw/zinc/89/70/95/1067897095.db2.gz SMWBYCQLZSACGH-LLVKDONJSA-N 0 0 452.445 -0.657 20 5 JBBDRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000018242595 1067896859 /nfs/dbraw/zinc/89/68/59/1067896859.db2.gz SMWBYCQLZSACGH-NSHDSACASA-N 0 0 452.445 -0.657 20 5 JBBDRN CN(C)C(=O)CN1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC1 ZINC000020669493 1067929984 /nfs/dbraw/zinc/92/99/84/1067929984.db2.gz PGZDGUKXPWTRDW-UHFFFAOYSA-N 0 0 454.553 -0.259 20 5 JBBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000020752024 1069012071 /nfs/dbraw/zinc/01/20/71/1069012071.db2.gz PTLRQIVPXUKDHJ-SNVBAGLBSA-N 0 0 460.403 -0.079 20 5 JBBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000020752026 1069012151 /nfs/dbraw/zinc/01/21/51/1069012151.db2.gz PTLRQIVPXUKDHJ-JTQLQIEISA-N 0 0 460.403 -0.079 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CCN3C(=O)CCC3=O)CC2)cc1[N+](=O)[O-] ZINC000020938245 1067932406 /nfs/dbraw/zinc/93/24/06/1067932406.db2.gz BJNDWGMAVOEOJX-UHFFFAOYSA-N 0 0 454.461 -0.025 20 5 JBBDRN CCCNC(=O)CN(C)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000021276388 1067937212 /nfs/dbraw/zinc/93/72/12/1067937212.db2.gz GOWNYLXUVNGQNM-UHFFFAOYSA-N 0 0 458.493 -0.021 20 5 JBBDRN Cn1ncc2c1ncn(CC(=O)N1CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC1)c2=O ZINC000021314806 1067937168 /nfs/dbraw/zinc/93/71/68/1067937168.db2.gz VIDLNMALUVBQJP-UHFFFAOYSA-N 0 0 461.460 -0.429 20 5 JBBDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000021830990 1067942509 /nfs/dbraw/zinc/94/25/09/1067942509.db2.gz WCDCBTHHZPXVSA-UHFFFAOYSA-N 0 0 453.477 -0.078 20 5 JBBDRN O=C(CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000022813920 1067946100 /nfs/dbraw/zinc/94/61/00/1067946100.db2.gz ZURXEJPAPMLTMN-UHFFFAOYSA-N 0 0 483.547 -0.404 20 5 JBBDRN O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1)N1CCOCC1 ZINC000022813959 1067671417 /nfs/dbraw/zinc/67/14/17/1067671417.db2.gz UPOXMPIYSSZOEG-UHFFFAOYSA-N 0 0 483.547 -0.404 20 5 JBBDRN CN1CCN(S(=O)(=O)c2ccc(N3CCN(CC(=O)N4CCOCC4)CC3)c([N+](=O)[O-])c2)CC1 ZINC000022814126 1067946521 /nfs/dbraw/zinc/94/65/21/1067946521.db2.gz ZTYFIHVTISKVMT-UHFFFAOYSA-N 0 0 496.590 -0.488 20 5 JBBDRN Cn1c(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)nc2n(C)c1=O ZINC000023112653 1067946489 /nfs/dbraw/zinc/94/64/89/1067946489.db2.gz RJPGHRCWUKWDAN-UHFFFAOYSA-N 0 0 488.482 -0.313 20 5 JBBDRN Cn1c(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)nc2n(C)c1=O ZINC000023114170 1067946501 /nfs/dbraw/zinc/94/65/01/1067946501.db2.gz UCQSHXWDCFMWEG-UHFFFAOYSA-N 0 0 488.482 -0.313 20 5 JBBDRN O=C(C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)N1CCNC(=O)C1 ZINC000023418506 1067637010 /nfs/dbraw/zinc/63/70/10/1067637010.db2.gz AVQCQEXFHRTHLT-UHFFFAOYSA-N 0 0 481.531 -0.210 20 5 JBBDRN CN(C)C(=O)CN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000023702418 1067657245 /nfs/dbraw/zinc/65/72/45/1067657245.db2.gz PVIYHOILVBRFBR-UHFFFAOYSA-N 0 0 482.563 -0.867 20 5 JBBDRN CN(C)C(=O)CN1CCN(C(=O)CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000023702843 1067657425 /nfs/dbraw/zinc/65/74/25/1067657425.db2.gz ALQQEUSYFZZQQP-UHFFFAOYSA-N 0 0 482.563 -0.867 20 5 JBBDRN CN(C)C(=O)CN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000023703605 1067657279 /nfs/dbraw/zinc/65/72/79/1067657279.db2.gz AZAGTWJYRHYECA-UHFFFAOYSA-N 0 0 482.563 -0.867 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN(C(C)=O)CC3)CC2)cc1[N+](=O)[O-] ZINC000024213126 1067685626 /nfs/dbraw/zinc/68/56/26/1067685626.db2.gz ZLNBWRZYHXQBDX-UHFFFAOYSA-N 0 0 469.520 -0.400 20 5 JBBDRN NS(=O)(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000024649834 1067720606 /nfs/dbraw/zinc/72/06/06/1067720606.db2.gz JZTZLVQNZATOTQ-UHFFFAOYSA-N 0 0 461.522 -0.657 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000024684290 1067724690 /nfs/dbraw/zinc/72/46/90/1067724690.db2.gz FXORKTHACAMYKS-UHFFFAOYSA-N 0 0 463.538 -0.598 20 5 JBBDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)CC1 ZINC000024697445 1067725745 /nfs/dbraw/zinc/72/57/45/1067725745.db2.gz YNSWNFDTOOIFRG-UHFFFAOYSA-N 0 0 455.493 -0.384 20 5 JBBDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)CC1 ZINC000024698220 1067725680 /nfs/dbraw/zinc/72/56/80/1067725680.db2.gz MCDKOCNPGGPQLG-UHFFFAOYSA-N 0 0 496.546 -0.081 20 5 JBBDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000024699003 1067725774 /nfs/dbraw/zinc/72/57/74/1067725774.db2.gz VCFRJHRQKMHGGY-UHFFFAOYSA-N 0 0 468.536 -0.649 20 5 JBBDRN CS(=O)(=O)N1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000024924511 1067794880 /nfs/dbraw/zinc/79/48/80/1067794880.db2.gz YAEQUECYGQPCJR-UHFFFAOYSA-N 0 0 489.576 -0.605 20 5 JBBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)c([N+](=O)[O-])c1 ZINC000025022242 1067891767 /nfs/dbraw/zinc/89/17/67/1067891767.db2.gz AUZYOVRCMUWFKT-HNNXBMFYSA-N 0 0 486.503 -0.106 20 5 JBBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCNC(=O)[C@H]2CC(=O)OC)c([N+](=O)[O-])c1 ZINC000025022246 1067891649 /nfs/dbraw/zinc/89/16/49/1067891649.db2.gz AUZYOVRCMUWFKT-OAHLLOKOSA-N 0 0 486.503 -0.106 20 5 JBBDRN COC[C@@H](C)NC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000025399411 1067926609 /nfs/dbraw/zinc/92/66/09/1067926609.db2.gz QUPRVOLGHLOFDL-CYBMUJFWSA-N 0 0 473.508 -0.230 20 5 JBBDRN COC[C@H](C)NC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000025399416 1067926673 /nfs/dbraw/zinc/92/66/73/1067926673.db2.gz QUPRVOLGHLOFDL-ZDUSSCGKSA-N 0 0 473.508 -0.230 20 5 JBBDRN CC(=O)N1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000025565315 1067927260 /nfs/dbraw/zinc/92/72/60/1067927260.db2.gz ROQDHJUUAOTUNO-OAHLLOKOSA-N 0 0 453.521 -0.020 20 5 JBBDRN CC(=O)N1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000025565317 1067927334 /nfs/dbraw/zinc/92/73/34/1067927334.db2.gz ROQDHJUUAOTUNO-HNNXBMFYSA-N 0 0 453.521 -0.020 20 5 JBBDRN CC(=O)N1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000025565831 1067927344 /nfs/dbraw/zinc/92/73/44/1067927344.db2.gz TVDMLYPBEPPVJU-OAHLLOKOSA-N 0 0 453.521 -0.020 20 5 JBBDRN CC(=O)N1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000025565832 1067927388 /nfs/dbraw/zinc/92/73/88/1067927388.db2.gz TVDMLYPBEPPVJU-HNNXBMFYSA-N 0 0 453.521 -0.020 20 5 JBBDRN CC(=O)N1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000025566510 1067927767 /nfs/dbraw/zinc/92/77/67/1067927767.db2.gz SAMAWJIMTVUDJZ-OAHLLOKOSA-N 0 0 453.521 -0.020 20 5 JBBDRN CC(=O)N1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000025566511 1067927673 /nfs/dbraw/zinc/92/76/73/1067927673.db2.gz SAMAWJIMTVUDJZ-HNNXBMFYSA-N 0 0 453.521 -0.020 20 5 JBBDRN COC(=O)CNC(=O)c1ccc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000025571038 1067927695 /nfs/dbraw/zinc/92/76/95/1067927695.db2.gz VQROOVCMDPIWBH-UHFFFAOYSA-N 0 0 484.535 -0.888 20 5 JBBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000025571042 1067927684 /nfs/dbraw/zinc/92/76/84/1067927684.db2.gz ADGHUVPGGLSGBJ-OAHLLOKOSA-N 0 0 498.562 -0.500 20 5 JBBDRN COC(=O)[C@H](C)NC(=O)c1ccc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000025571044 1067927749 /nfs/dbraw/zinc/92/77/49/1067927749.db2.gz ADGHUVPGGLSGBJ-HNNXBMFYSA-N 0 0 498.562 -0.500 20 5 JBBDRN CNC(=O)CN1CCC(Nc2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000025579616 1067927756 /nfs/dbraw/zinc/92/77/56/1067927756.db2.gz VLXXAOPQTSKFFK-UHFFFAOYSA-N 0 0 484.579 -0.172 20 5 JBBDRN Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)cnc21 ZINC000025598999 1067751620 /nfs/dbraw/zinc/75/16/20/1067751620.db2.gz SOHWVUCCKILBAH-UHFFFAOYSA-N 0 0 474.455 -0.323 20 5 JBBDRN CNC(=O)CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000025599020 1067927708 /nfs/dbraw/zinc/92/77/08/1067927708.db2.gz UVYNXSXPFOGFNO-UHFFFAOYSA-N 0 0 469.520 -0.306 20 5 JBBDRN CCN(C(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000025785910 1067930666 /nfs/dbraw/zinc/93/06/66/1067930666.db2.gz GHMMDSRLIZBBOT-MRXNPFEDSA-N 0 0 474.561 -0.063 20 5 JBBDRN CCN(C(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000025785912 1067930736 /nfs/dbraw/zinc/93/07/36/1067930736.db2.gz GHMMDSRLIZBBOT-INIZCTEOSA-N 0 0 474.561 -0.063 20 5 JBBDRN CCN(C(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000025785940 1067930707 /nfs/dbraw/zinc/93/07/07/1067930707.db2.gz LIPVJCKMEVZFAY-MRXNPFEDSA-N 0 0 474.561 -0.063 20 5 JBBDRN CCN(C(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000025785942 1067930703 /nfs/dbraw/zinc/93/07/03/1067930703.db2.gz LIPVJCKMEVZFAY-INIZCTEOSA-N 0 0 474.561 -0.063 20 5 JBBDRN CCN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000025786017 1067930692 /nfs/dbraw/zinc/93/06/92/1067930692.db2.gz UJNCCVHGTIJPKX-OAHLLOKOSA-N 0 0 474.561 -0.063 20 5 JBBDRN CCN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000025786019 1067930679 /nfs/dbraw/zinc/93/06/79/1067930679.db2.gz UJNCCVHGTIJPKX-HNNXBMFYSA-N 0 0 474.561 -0.063 20 5 JBBDRN Cn1cc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(=O)n(C)c1=O ZINC000025954382 1067931598 /nfs/dbraw/zinc/93/15/98/1067931598.db2.gz HSKBBULZBPUFPT-FPYGCLRLSA-N 0 0 463.472 -0.462 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)CC2)cc1[N+](=O)[O-] ZINC000025957776 1067931460 /nfs/dbraw/zinc/93/14/60/1067931460.db2.gz DZYVXKWZGAQRBQ-QPJJXVBHSA-N 0 0 493.498 -0.453 20 5 JBBDRN Cn1cc(/C=C/C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c(=O)n(C)c1=O ZINC000025982013 1067931633 /nfs/dbraw/zinc/93/16/33/1067931633.db2.gz FLWXDXAHFAKCFG-QPJJXVBHSA-N 0 0 451.461 -0.363 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)N3CCN(C(C)=O)CC3)CC2)cc1[N+](=O)[O-] ZINC000026373300 1067958615 /nfs/dbraw/zinc/95/86/15/1067958615.db2.gz CCMWXHOINGVSCS-HNNXBMFYSA-N 0 0 483.547 -0.011 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N3CCN(C(C)=O)CC3)CC2)cc1[N+](=O)[O-] ZINC000026373301 1067958670 /nfs/dbraw/zinc/95/86/70/1067958670.db2.gz CCMWXHOINGVSCS-OAHLLOKOSA-N 0 0 483.547 -0.011 20 5 JBBDRN C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000026469470 1067959566 /nfs/dbraw/zinc/95/95/66/1067959566.db2.gz RYUJMEVDLXTQHZ-GDBMZVCRSA-N 0 0 474.561 -0.065 20 5 JBBDRN C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000026469477 1067959583 /nfs/dbraw/zinc/95/95/83/1067959583.db2.gz RYUJMEVDLXTQHZ-GOEBONIOSA-N 0 0 474.561 -0.065 20 5 JBBDRN C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000026469485 1067959504 /nfs/dbraw/zinc/95/95/04/1067959504.db2.gz RYUJMEVDLXTQHZ-ZBFHGGJFSA-N 0 0 474.561 -0.065 20 5 JBBDRN C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000026469492 1067959531 /nfs/dbraw/zinc/95/95/31/1067959531.db2.gz RYUJMEVDLXTQHZ-HOCLYGCPSA-N 0 0 474.561 -0.065 20 5 JBBDRN C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000026469606 1067959887 /nfs/dbraw/zinc/95/98/87/1067959887.db2.gz PZXBJYYGKNHGRB-GDBMZVCRSA-N 0 0 474.561 -0.065 20 5 JBBDRN C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000026469613 1067959952 /nfs/dbraw/zinc/95/99/52/1067959952.db2.gz PZXBJYYGKNHGRB-GOEBONIOSA-N 0 0 474.561 -0.065 20 5 JBBDRN C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000026469620 1067959876 /nfs/dbraw/zinc/95/98/76/1067959876.db2.gz PZXBJYYGKNHGRB-ZBFHGGJFSA-N 0 0 474.561 -0.065 20 5 JBBDRN C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000026469627 1067959890 /nfs/dbraw/zinc/95/98/90/1067959890.db2.gz PZXBJYYGKNHGRB-HOCLYGCPSA-N 0 0 474.561 -0.065 20 5 JBBDRN C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000026470428 1067959879 /nfs/dbraw/zinc/95/98/79/1067959879.db2.gz XWWBCKHIWFUJHO-HUUCEWRRSA-N 0 0 474.561 -0.065 20 5 JBBDRN C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000026470435 1067959905 /nfs/dbraw/zinc/95/99/05/1067959905.db2.gz XWWBCKHIWFUJHO-LSDHHAIUSA-N 0 0 474.561 -0.065 20 5 JBBDRN C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000026470442 1067959903 /nfs/dbraw/zinc/95/99/03/1067959903.db2.gz XWWBCKHIWFUJHO-CABCVRRESA-N 0 0 474.561 -0.065 20 5 JBBDRN C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000026470445 1067959931 /nfs/dbraw/zinc/95/99/31/1067959931.db2.gz XWWBCKHIWFUJHO-GJZGRUSLSA-N 0 0 474.561 -0.065 20 5 JBBDRN O=C(CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000026487965 1067959928 /nfs/dbraw/zinc/95/99/28/1067959928.db2.gz KHHYNPNXEMKXLF-QGZVFWFLSA-N 0 0 452.537 -0.557 20 5 JBBDRN O=C(CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000026487971 1067959918 /nfs/dbraw/zinc/95/99/18/1067959918.db2.gz KHHYNPNXEMKXLF-KRWDZBQOSA-N 0 0 452.537 -0.557 20 5 JBBDRN Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000026541143 1067959947 /nfs/dbraw/zinc/95/99/47/1067959947.db2.gz SEARWQKEAHFJKO-UHFFFAOYSA-N 0 0 457.490 -0.273 20 5 JBBDRN Cn1cc(/C=C/C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c(=O)n(C)c1=O ZINC000026541308 1067959950 /nfs/dbraw/zinc/95/99/50/1067959950.db2.gz YEIJEJJJZOOXGG-VOTSOKGWSA-N 0 0 463.472 -0.462 20 5 JBBDRN Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000026542339 1067959966 /nfs/dbraw/zinc/95/99/66/1067959966.db2.gz RLIQVZGAPANETK-UHFFFAOYSA-N 0 0 457.490 -0.273 20 5 JBBDRN Cn1cc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c(=O)n(C)c1=O ZINC000026543135 1067983578 /nfs/dbraw/zinc/98/35/78/1067983578.db2.gz KHZXXFIYXAUQQR-BQYQJAHWSA-N 0 0 463.472 -0.462 20 5 JBBDRN CNC(=O)c1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1C ZINC000026749637 1067984458 /nfs/dbraw/zinc/98/44/58/1067984458.db2.gz AEBPLQZVIGBUNA-UHFFFAOYSA-N 0 0 471.517 -0.012 20 5 JBBDRN CNC(=O)c1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cn1C ZINC000026749703 1067984399 /nfs/dbraw/zinc/98/43/99/1067984399.db2.gz ZPJBAUVSBBBVRB-UHFFFAOYSA-N 0 0 471.517 -0.012 20 5 JBBDRN COC(=O)CNC(=O)c1ccc(N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000026776376 1067984966 /nfs/dbraw/zinc/98/49/66/1067984966.db2.gz YKYCZHUGTVCKAM-GASCZTMLSA-N 0 0 499.546 -0.026 20 5 JBBDRN COC(=O)CNC(=O)c1ccc(N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000026776378 1067985035 /nfs/dbraw/zinc/98/50/35/1067985035.db2.gz YKYCZHUGTVCKAM-GJZGRUSLSA-N 0 0 499.546 -0.026 20 5 JBBDRN COC(=O)CNC(=O)c1ccc(N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000026776380 1067984899 /nfs/dbraw/zinc/98/48/99/1067984899.db2.gz YKYCZHUGTVCKAM-HUUCEWRRSA-N 0 0 499.546 -0.026 20 5 JBBDRN NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1=O ZINC000027054194 1067986830 /nfs/dbraw/zinc/98/68/30/1067986830.db2.gz QFDIMGYSPCDWQU-KRWDZBQOSA-N 0 0 471.426 -0.634 20 5 JBBDRN NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1=O ZINC000027054199 1067986807 /nfs/dbraw/zinc/98/68/07/1067986807.db2.gz QFDIMGYSPCDWQU-QGZVFWFLSA-N 0 0 471.426 -0.634 20 5 JBBDRN NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1=O ZINC000027054885 1067986687 /nfs/dbraw/zinc/98/66/87/1067986687.db2.gz BKDOARKZLWAKAM-UHFFFAOYSA-N 0 0 485.425 -0.333 20 5 JBBDRN NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1=O ZINC000027054905 1067986762 /nfs/dbraw/zinc/98/67/62/1067986762.db2.gz DOUWQJKWSAEQDF-UHFFFAOYSA-N 0 0 463.472 -0.470 20 5 JBBDRN NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1=O ZINC000027055055 1067986790 /nfs/dbraw/zinc/98/67/90/1067986790.db2.gz GGAKXICXRJGQLX-UHFFFAOYSA-N 0 0 467.435 -0.472 20 5 JBBDRN NC(=O)c1cc([N+](=O)[O-])cn(CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1=O ZINC000027055160 1067986796 /nfs/dbraw/zinc/98/67/96/1067986796.db2.gz JDDSROLJHOOAPJ-UHFFFAOYSA-N 0 0 452.445 -0.045 20 5 JBBDRN NC(=O)[C@@H]1CCCN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000027214103 1067987394 /nfs/dbraw/zinc/98/73/94/1067987394.db2.gz XAZGQMUJUIVQDU-CYBMUJFWSA-N 0 0 456.477 -0.282 20 5 JBBDRN NC(=O)[C@H]1CCCN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000027214108 1067987296 /nfs/dbraw/zinc/98/72/96/1067987296.db2.gz XAZGQMUJUIVQDU-ZDUSSCGKSA-N 0 0 456.477 -0.282 20 5 JBBDRN CC(C)CN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000027360247 1067988532 /nfs/dbraw/zinc/98/85/32/1067988532.db2.gz ZQHNZIWBKNTCPB-UHFFFAOYSA-N 0 0 481.487 -0.126 20 5 JBBDRN CC(C)CN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1=O ZINC000027360251 1067988403 /nfs/dbraw/zinc/98/84/03/1067988403.db2.gz CEHADNWVGZITHP-UHFFFAOYSA-N 0 0 481.487 -0.126 20 5 JBBDRN O=C(CN1C(=O)N[C@@]2(CCSC2)C1=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000027490988 1067988413 /nfs/dbraw/zinc/98/84/13/1067988413.db2.gz PCGXBUZRPVUTPD-GOSISDBHSA-N 0 0 483.528 -0.145 20 5 JBBDRN O=C(CN1C(=O)N[C@]2(CCSC2)C1=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000027490991 1067988422 /nfs/dbraw/zinc/98/84/22/1067988422.db2.gz PCGXBUZRPVUTPD-SFHVURJKSA-N 0 0 483.528 -0.145 20 5 JBBDRN O=C(CN1C(=O)N[C@@]2(CCSC2)C1=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000027490994 1067988528 /nfs/dbraw/zinc/98/85/28/1067988528.db2.gz OLAIEVWMFFHZOH-GOSISDBHSA-N 0 0 483.528 -0.145 20 5 JBBDRN O=C(CN1C(=O)N[C@]2(CCSC2)C1=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000027490999 1067988500 /nfs/dbraw/zinc/98/85/00/1067988500.db2.gz OLAIEVWMFFHZOH-SFHVURJKSA-N 0 0 483.528 -0.145 20 5 JBBDRN CC(C)N1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000027512566 1067988482 /nfs/dbraw/zinc/98/84/82/1067988482.db2.gz CMEPZVDWFPDPHG-UHFFFAOYSA-N 0 0 467.460 -0.373 20 5 JBBDRN CC(C)N1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1=O ZINC000027512571 1067988514 /nfs/dbraw/zinc/98/85/14/1067988514.db2.gz MEZXBSNLOJQAEA-UHFFFAOYSA-N 0 0 467.460 -0.373 20 5 JBBDRN CN(C)C(=O)[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000027567180 1069688145 /nfs/dbraw/zinc/68/81/45/1069688145.db2.gz YXTCHXYNAVVKFD-KRWDZBQOSA-N 0 0 453.521 -0.020 20 5 JBBDRN CNC(=O)CN1CCC(NC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000028421229 1067992828 /nfs/dbraw/zinc/99/28/28/1067992828.db2.gz CZZKEDUEPUKTIM-UHFFFAOYSA-N 0 0 468.536 -0.179 20 5 JBBDRN CNC(=O)CN1CCC(NC(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000028422059 1067992614 /nfs/dbraw/zinc/99/26/14/1067992614.db2.gz MHIJQJKKGJZUAC-UHFFFAOYSA-N 0 0 456.525 -0.080 20 5 JBBDRN NS(=O)(=O)c1ccc(NCCC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000028506535 1067992466 /nfs/dbraw/zinc/99/24/66/1067992466.db2.gz PISSIZGDHXKECE-UHFFFAOYSA-N 0 0 484.535 -0.953 20 5 JBBDRN CN(C)C(=O)CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000028729895 1067995142 /nfs/dbraw/zinc/99/51/42/1067995142.db2.gz SZZZVRWRCCVJRW-UHFFFAOYSA-N 0 0 482.563 -0.867 20 5 JBBDRN CN(C)C(=O)CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000028729898 1067995167 /nfs/dbraw/zinc/99/51/67/1067995167.db2.gz CBOXFADULXQFJI-UHFFFAOYSA-N 0 0 482.563 -0.867 20 5 JBBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(N2CCN(CC(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000029072480 1067998770 /nfs/dbraw/zinc/99/87/70/1067998770.db2.gz AXPJXIMBNLVEIE-OAHLLOKOSA-N 0 0 463.491 -0.133 20 5 JBBDRN COC(=O)[C@H](C)NC(=O)c1ccc(N2CCN(CC(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000029072487 1067998762 /nfs/dbraw/zinc/99/87/62/1067998762.db2.gz AXPJXIMBNLVEIE-HNNXBMFYSA-N 0 0 463.491 -0.133 20 5 JBBDRN Cn1c(=O)c2cc(C(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)cnc2n(C)c1=O ZINC000029311173 1068001695 /nfs/dbraw/zinc/00/16/95/1068001695.db2.gz SGOXIKLKNISDAD-UHFFFAOYSA-N 0 0 488.482 -0.313 20 5 JBBDRN Cn1c(=O)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)cnc2n(C)c1=O ZINC000029312047 1068001935 /nfs/dbraw/zinc/00/19/35/1068001935.db2.gz DXXZESIYGOMBEF-UHFFFAOYSA-N 0 0 488.482 -0.313 20 5 JBBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000029384951 1068002520 /nfs/dbraw/zinc/00/25/20/1068002520.db2.gz RWKLROVDSONGNL-CQSZACIVSA-N 0 0 455.493 -0.566 20 5 JBBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000029384954 1068002600 /nfs/dbraw/zinc/00/26/00/1068002600.db2.gz RWKLROVDSONGNL-AWEZNQCLSA-N 0 0 455.493 -0.566 20 5 JBBDRN Cc1cc(=O)c(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000029386064 1068002435 /nfs/dbraw/zinc/00/24/35/1068002435.db2.gz XKFICNOGWGIZDH-UHFFFAOYSA-N 0 0 492.514 -0.216 20 5 JBBDRN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000029386197 1068002573 /nfs/dbraw/zinc/00/25/73/1068002573.db2.gz ZFMXRANAYKCLEV-UHFFFAOYSA-N 0 0 451.465 -0.490 20 5 JBBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1OC ZINC000029386656 1068002587 /nfs/dbraw/zinc/00/25/87/1068002587.db2.gz KLWZGSUFKWDHNN-UHFFFAOYSA-N 0 0 488.519 -0.037 20 5 JBBDRN CCNC(=O)CN1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC1 ZINC000029529302 1068004265 /nfs/dbraw/zinc/00/42/65/1068004265.db2.gz PVORNXBFOZBHEM-UHFFFAOYSA-N 0 0 454.553 -0.211 20 5 JBBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000029531344 1068003958 /nfs/dbraw/zinc/00/39/58/1068003958.db2.gz HRBPHBBRNUYSIX-CQSZACIVSA-N 0 0 485.519 -0.415 20 5 JBBDRN COC(=O)[C@H](C)NC(=O)c1ccc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000029531346 1068004230 /nfs/dbraw/zinc/00/42/30/1068004230.db2.gz HRBPHBBRNUYSIX-AWEZNQCLSA-N 0 0 485.519 -0.415 20 5 JBBDRN COC(=O)CNC(=O)c1ccc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000029531350 1068004061 /nfs/dbraw/zinc/00/40/61/1068004061.db2.gz ALYZVWKMWAVNNP-UHFFFAOYSA-N 0 0 471.492 -0.803 20 5 JBBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCNS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000029679264 1068007231 /nfs/dbraw/zinc/00/72/31/1068007231.db2.gz YOPRTUWRYWPYTL-UHFFFAOYSA-N 0 0 452.511 -0.331 20 5 JBBDRN Cn1c(=O)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)cnc2n(C)c1=O ZINC000029692386 1068007317 /nfs/dbraw/zinc/00/73/17/1068007317.db2.gz ZLGPTBIORMTWAY-UHFFFAOYSA-N 0 0 488.482 -0.313 20 5 JBBDRN O=C(Cn1nnn(-c2ccccc2)c1=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000029745319 1068007753 /nfs/dbraw/zinc/00/77/53/1068007753.db2.gz LACZQXPGEUNPOK-UHFFFAOYSA-N 0 0 473.471 -0.130 20 5 JBBDRN O=C(Cn1nnn(-c2ccccc2)c1=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000029745320 1068007928 /nfs/dbraw/zinc/00/79/28/1068007928.db2.gz AMMRXIGKGLFSDB-UHFFFAOYSA-N 0 0 473.471 -0.130 20 5 JBBDRN COCCCNC(=O)CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000029848635 1068073831 /nfs/dbraw/zinc/07/38/31/1068073831.db2.gz HUIKQZCTHIDGEV-UHFFFAOYSA-N 0 0 485.563 -0.110 20 5 JBBDRN CN(C)C(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000029925821 1068075442 /nfs/dbraw/zinc/07/54/42/1068075442.db2.gz HQGBDLKEXNOFRC-UHFFFAOYSA-N 0 0 468.536 -0.273 20 5 JBBDRN CN(C)C(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000029925822 1068075526 /nfs/dbraw/zinc/07/55/26/1068075526.db2.gz PDQZFCOHFKMQED-UHFFFAOYSA-N 0 0 468.536 -0.273 20 5 JBBDRN Cn1cnc2c1c(=O)n(CCCN1CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC1)c(=O)n2C ZINC000029960574 1068075502 /nfs/dbraw/zinc/07/55/02/1068075502.db2.gz RNSOIAZTCMGXMM-UHFFFAOYSA-N 0 0 491.530 -0.262 20 5 JBBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000030338612 1068076014 /nfs/dbraw/zinc/07/60/14/1068076014.db2.gz MZTPULVMTTTWJZ-UHFFFAOYSA-N 0 0 463.538 -0.598 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000030338623 1068075879 /nfs/dbraw/zinc/07/58/79/1068075879.db2.gz HEFKZTQQXHBFDD-UHFFFAOYSA-N 0 0 463.538 -0.598 20 5 JBBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000030577880 1068076708 /nfs/dbraw/zinc/07/67/08/1068076708.db2.gz CZWARSLIANFMJC-OAHLLOKOSA-N 0 0 453.521 -0.067 20 5 JBBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000030577883 1068076639 /nfs/dbraw/zinc/07/66/39/1068076639.db2.gz CZWARSLIANFMJC-HNNXBMFYSA-N 0 0 453.521 -0.067 20 5 JBBDRN CC(=O)N1CCN(C(=O)CN2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)CC1 ZINC000030578100 1068076784 /nfs/dbraw/zinc/07/67/84/1068076784.db2.gz MJBVHQLGMIKRLT-UHFFFAOYSA-N 0 0 453.521 -0.100 20 5 JBBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000030578118 1068076619 /nfs/dbraw/zinc/07/66/19/1068076619.db2.gz HMAAUGQOKJSLKH-UHFFFAOYSA-N 0 0 496.590 -0.558 20 5 JBBDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)C[C@@H](C)O1 ZINC000030664347 1068076694 /nfs/dbraw/zinc/07/66/94/1068076694.db2.gz DNVSVBCKYFKGAY-HUUCEWRRSA-N 0 0 497.530 -0.182 20 5 JBBDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)C[C@H](C)O1 ZINC000030664351 1068076769 /nfs/dbraw/zinc/07/67/69/1068076769.db2.gz DNVSVBCKYFKGAY-GASCZTMLSA-N 0 0 497.530 -0.182 20 5 JBBDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)C[C@H](C)O1 ZINC000030664358 1068076830 /nfs/dbraw/zinc/07/68/30/1068076830.db2.gz DNVSVBCKYFKGAY-GJZGRUSLSA-N 0 0 497.530 -0.182 20 5 JBBDRN CS(=O)(=O)NC1CCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000030673502 1068077325 /nfs/dbraw/zinc/07/73/25/1068077325.db2.gz WDSIFVKSWWTIEX-UHFFFAOYSA-N 0 0 491.592 -0.277 20 5 JBBDRN Cn1cnc2c1c(=O)n(CCCN1CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC1)c(=O)n2C ZINC000030697974 1068077178 /nfs/dbraw/zinc/07/71/78/1068077178.db2.gz DXTUQIBNJSIDNW-UHFFFAOYSA-N 0 0 491.530 -0.262 20 5 JBBDRN Cn1cnc2c1c(=O)n(CCCN1CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC1)c(=O)n2C ZINC000030697980 1068077284 /nfs/dbraw/zinc/07/72/84/1068077284.db2.gz DQEBSESRVOKJDV-UHFFFAOYSA-N 0 0 491.530 -0.262 20 5 JBBDRN COC(=O)c1cc(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc([N+](=O)[O-])c1 ZINC000030698550 1068077095 /nfs/dbraw/zinc/07/70/95/1068077095.db2.gz HUVCYMAQLLCODF-UHFFFAOYSA-N 0 0 455.493 -0.369 20 5 JBBDRN NC(=O)NC(=O)CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000030957465 1068078010 /nfs/dbraw/zinc/07/80/10/1068078010.db2.gz NJPVMDYCYGHYSA-UHFFFAOYSA-N 0 0 470.508 -0.677 20 5 JBBDRN CNC(=O)NC(=O)CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000030958123 1068078049 /nfs/dbraw/zinc/07/80/49/1068078049.db2.gz JVJBLKLMIFGOGX-UHFFFAOYSA-N 0 0 484.535 -0.417 20 5 JBBDRN CN(CC(=O)N1CCCC1)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000031086132 1068077942 /nfs/dbraw/zinc/07/79/42/1068077942.db2.gz LFEOMPSDARLWHY-UHFFFAOYSA-N 0 0 453.521 -0.018 20 5 JBBDRN CN(CC(=O)N1CCCC1)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000031086136 1068077824 /nfs/dbraw/zinc/07/78/24/1068077824.db2.gz YUAHDGMVWQYTBI-UHFFFAOYSA-N 0 0 453.521 -0.018 20 5 JBBDRN Cn1cc(S(=O)(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc1C(N)=O ZINC000031527900 1068079352 /nfs/dbraw/zinc/07/93/52/1068079352.db2.gz GNPDYCCWYFRJNA-UHFFFAOYSA-N 0 0 471.517 -0.053 20 5 JBBDRN COCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000031671854 1068079588 /nfs/dbraw/zinc/07/95/88/1068079588.db2.gz HAFCQSHZYRGVJH-UHFFFAOYSA-N 0 0 470.442 -0.083 20 5 JBBDRN NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1=O ZINC000031812221 1067727796 /nfs/dbraw/zinc/72/77/96/1067727796.db2.gz LBWJTUKYZZCNLY-UHFFFAOYSA-N 0 0 460.422 -0.223 20 5 JBBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000032417077 1068109582 /nfs/dbraw/zinc/10/95/82/1068109582.db2.gz FFDLXEKWYHOVFW-UHFFFAOYSA-N 0 0 450.495 -0.513 20 5 JBBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000032434392 1068110259 /nfs/dbraw/zinc/11/02/59/1068110259.db2.gz CRXCLLCKXYXCFK-UHFFFAOYSA-N 0 0 463.538 -0.598 20 5 JBBDRN NS(=O)(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000032670754 1068128691 /nfs/dbraw/zinc/12/86/91/1068128691.db2.gz TZZVDONAZPMZAD-UHFFFAOYSA-N 0 0 461.522 -0.657 20 5 JBBDRN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000032717638 1068130104 /nfs/dbraw/zinc/13/01/04/1068130104.db2.gz VFHZTZNGDHEERX-UHFFFAOYSA-N 0 0 476.515 -0.012 20 5 JBBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000032979724 1068143309 /nfs/dbraw/zinc/14/33/09/1068143309.db2.gz PIDAFKAKSUNXEC-UHFFFAOYSA-N 0 0 451.461 -0.703 20 5 JBBDRN O=C(CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000059373445 1068040374 /nfs/dbraw/zinc/04/03/74/1068040374.db2.gz JQPHMILUPLGWDB-UHFFFAOYSA-N 0 0 465.532 -0.018 20 5 JBBDRN O=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000059373597 1068040507 /nfs/dbraw/zinc/04/05/07/1068040507.db2.gz OFENLGBFEMAKKF-UHFFFAOYSA-N 0 0 465.532 -0.018 20 5 JBBDRN CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@H](CNS(N)(=O)=O)C3)c([N+](=O)[O-])c2)CC1 ZINC000060371299 1068044720 /nfs/dbraw/zinc/04/47/20/1068044720.db2.gz VHLYDFFATWEETH-CQSZACIVSA-N 0 0 476.581 -0.460 20 5 JBBDRN CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H](CNS(N)(=O)=O)C3)c([N+](=O)[O-])c2)CC1 ZINC000060371300 1068044772 /nfs/dbraw/zinc/04/47/72/1068044772.db2.gz VHLYDFFATWEETH-AWEZNQCLSA-N 0 0 476.581 -0.460 20 5 JBBDRN NS(=O)(=O)NC[C@H]1CCCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000060371319 1068044793 /nfs/dbraw/zinc/04/47/93/1068044793.db2.gz WKJUHVUMAYECBM-CYBMUJFWSA-N 0 0 463.538 -0.375 20 5 JBBDRN NS(=O)(=O)NC[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000060371320 1068044552 /nfs/dbraw/zinc/04/45/52/1068044552.db2.gz WKJUHVUMAYECBM-ZDUSSCGKSA-N 0 0 463.538 -0.375 20 5 JBBDRN NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1=O ZINC000105632460 1068536466 /nfs/dbraw/zinc/53/64/66/1068536466.db2.gz HQZACUXCVZPENK-UHFFFAOYSA-N 0 0 489.510 -0.123 20 5 JBBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000105822279 1068536381 /nfs/dbraw/zinc/53/63/81/1068536381.db2.gz VSZPNYKWLFAMRC-UHFFFAOYSA-N 0 0 450.495 -0.513 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000105822284 1068536425 /nfs/dbraw/zinc/53/64/25/1068536425.db2.gz JHVKOJQEFSTTEJ-UHFFFAOYSA-N 0 0 450.495 -0.513 20 5 JBBDRN Cc1c(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000105827957 1068536226 /nfs/dbraw/zinc/53/62/26/1068536226.db2.gz CPHXIPMMVJNCCD-UHFFFAOYSA-N 0 0 465.492 -0.181 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000106011004 1068537654 /nfs/dbraw/zinc/53/76/54/1068537654.db2.gz KGFYLLMPICZZJH-UHFFFAOYSA-N 0 0 450.495 -0.672 20 5 JBBDRN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000106200301 1067727405 /nfs/dbraw/zinc/72/74/05/1067727405.db2.gz FZULQLLGLMZORF-UHFFFAOYSA-N 0 0 494.482 -0.120 20 5 JBBDRN CCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C(=O)C1=O ZINC000107515803 1067722932 /nfs/dbraw/zinc/72/29/32/1067722932.db2.gz GYLDGNBCADPNCR-UHFFFAOYSA-N 0 0 453.477 -0.882 20 5 JBBDRN CCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)C(=O)C1=O ZINC000107931250 1067723572 /nfs/dbraw/zinc/72/35/72/1067723572.db2.gz QUHQWTXTWXLWOX-UHFFFAOYSA-N 0 0 483.503 -0.873 20 5 JBBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000108036861 1067731586 /nfs/dbraw/zinc/73/15/86/1067731586.db2.gz MSAXVXBWKWYTHB-CYBMUJFWSA-N 0 0 467.547 -0.274 20 5 JBBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000108036864 1067723376 /nfs/dbraw/zinc/72/33/76/1067723376.db2.gz MSAXVXBWKWYTHB-ZDUSSCGKSA-N 0 0 467.547 -0.274 20 5 JBBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000108037005 1067731505 /nfs/dbraw/zinc/73/15/05/1067731505.db2.gz LEPDULUJZGSEHE-CYBMUJFWSA-N 0 0 483.546 -0.573 20 5 JBBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000108037007 1067731469 /nfs/dbraw/zinc/73/14/69/1067731469.db2.gz LEPDULUJZGSEHE-ZDUSSCGKSA-N 0 0 483.546 -0.573 20 5 JBBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000108037291 1067731570 /nfs/dbraw/zinc/73/15/70/1067731570.db2.gz JOVSUAUKMRUGAN-GFCCVEGCSA-N 0 0 453.520 -0.582 20 5 JBBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000108037295 1067731531 /nfs/dbraw/zinc/73/15/31/1067731531.db2.gz JOVSUAUKMRUGAN-LBPRGKRZSA-N 0 0 453.520 -0.582 20 5 JBBDRN Cc1c(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000108550590 1067723946 /nfs/dbraw/zinc/72/39/46/1067723946.db2.gz ZTOCSXWIMSXSLA-UHFFFAOYSA-N 0 0 455.431 -0.083 20 5 JBBDRN O=[N+]([O-])c1ccc(-c2ncn(CN3CCN(S(=O)(=O)[C@@H]4CCS(=O)(=O)C4)CC3)n2)cc1 ZINC000109011398 1067931949 /nfs/dbraw/zinc/93/19/49/1067931949.db2.gz YOFPOQPVYHQKEG-MRXNPFEDSA-N 0 0 470.533 -0.055 20 5 JBBDRN O=[N+]([O-])c1ccc(-c2ncn(CN3CCN(S(=O)(=O)[C@H]4CCS(=O)(=O)C4)CC3)n2)cc1 ZINC000109011401 1067932042 /nfs/dbraw/zinc/93/20/42/1067932042.db2.gz YOFPOQPVYHQKEG-INIZCTEOSA-N 0 0 470.533 -0.055 20 5 JBBDRN CS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC000109025566 1067723807 /nfs/dbraw/zinc/72/38/07/1067723807.db2.gz NHYHPOFHHORVBD-UHFFFAOYSA-N 0 0 454.461 -0.859 20 5 JBBDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)CC2)CC1 ZINC000109051914 1067723845 /nfs/dbraw/zinc/72/38/45/1067723845.db2.gz YZOSLHXMJRSZSZ-UHFFFAOYSA-N 0 0 475.549 -0.752 20 5 JBBDRN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000109246378 1067947716 /nfs/dbraw/zinc/94/77/16/1067947716.db2.gz IGFFCVGHFLYFSP-UHFFFAOYSA-N 0 0 455.474 -0.513 20 5 JBBDRN CC(=O)N1CCN(c2ccc(C(=O)NCCS(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000109631894 1068973365 /nfs/dbraw/zinc/97/33/65/1068973365.db2.gz ARUGVQNVTWATLT-UHFFFAOYSA-N 0 0 469.520 -0.345 20 5 JBBDRN O=C(NCCS(=O)(=O)N1CCOCC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000109633019 1068973255 /nfs/dbraw/zinc/97/32/55/1068973255.db2.gz OVAXVTDGVYBTDY-UHFFFAOYSA-N 0 0 491.548 -0.727 20 5 JBBDRN COCCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000109706429 1067641501 /nfs/dbraw/zinc/64/15/01/1067641501.db2.gz IXEQYWUSGRMSRU-UHFFFAOYSA-N 0 0 450.452 -0.086 20 5 JBBDRN CS(=O)(=O)N1CCN(CCNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000115849868 1069097890 /nfs/dbraw/zinc/09/78/90/1069097890.db2.gz YQTJGTGHYYVSSA-UHFFFAOYSA-N 0 0 455.493 -0.024 20 5 JBBDRN Cc1nc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1C ZINC000116495176 1069099375 /nfs/dbraw/zinc/09/93/75/1069099375.db2.gz BCQVZTFMCQEQKC-UHFFFAOYSA-N 0 0 486.532 -0.552 20 5 JBBDRN O=C(Cn1c(=O)onc1-c1cnccn1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000116623060 1069099203 /nfs/dbraw/zinc/09/92/03/1069099203.db2.gz YUSMUKUZPHWWCD-UHFFFAOYSA-N 0 0 475.443 -0.265 20 5 JBBDRN Cc1nc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1C ZINC000116683713 1069099083 /nfs/dbraw/zinc/09/90/83/1069099083.db2.gz XXECXGRDTCITGL-UHFFFAOYSA-N 0 0 486.532 -0.552 20 5 JBBDRN COC[C@@H](C)NC(=O)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000410393252 1069031084 /nfs/dbraw/zinc/03/10/84/1069031084.db2.gz VCFVGXYHBNNHDV-GFCCVEGCSA-N 0 0 460.465 -0.145 20 5 JBBDRN COC[C@H](C)NC(=O)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000410393260 1069031028 /nfs/dbraw/zinc/03/10/28/1069031028.db2.gz VCFVGXYHBNNHDV-LBPRGKRZSA-N 0 0 460.465 -0.145 20 5 JBBDRN COc1cc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)N3CCOCC3)c2=O)c([N+](=O)[O-])cc1O ZINC000436985412 1067845527 /nfs/dbraw/zinc/84/55/27/1067845527.db2.gz GXTIZDJPVLSJLC-UHFFFAOYSA-N 0 0 489.506 -0.021 20 5 JBBDRN O=C(C(=O)N1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1)N1CCCC1 ZINC000476919568 1067964782 /nfs/dbraw/zinc/96/47/82/1067964782.db2.gz BXTXDMOOQQTXKW-UHFFFAOYSA-N 0 0 454.461 -0.179 20 5 JBBDRN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CCN(S(=O)(=O)N3CCOCC3)CC1)OCCO2 ZINC000476984375 1067964820 /nfs/dbraw/zinc/96/48/20/1067964820.db2.gz VRQKAAIEHCJMNI-UHFFFAOYSA-N 0 0 478.505 -0.751 20 5 JBBDRN CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)CC1 ZINC000477133300 1067965350 /nfs/dbraw/zinc/96/53/50/1067965350.db2.gz LUWJONQMVSDFDO-UHFFFAOYSA-N 0 0 491.548 -0.836 20 5 JBBDRN O=C(CN1CCOCC1)N1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000477150731 1067965320 /nfs/dbraw/zinc/96/53/20/1067965320.db2.gz NSGYEVCFBHPBOG-UHFFFAOYSA-N 0 0 456.477 -0.469 20 5 JBBDRN O=C(C(=O)N1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1)N1CCOCC1 ZINC000477159678 1067664469 /nfs/dbraw/zinc/66/44/69/1067664469.db2.gz HSARHONYSJPHRH-UHFFFAOYSA-N 0 0 470.460 -0.942 20 5 JBBDRN O=C(CN1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1)N1CCOCC1 ZINC000477159726 1067664740 /nfs/dbraw/zinc/66/47/40/1067664740.db2.gz HTMFHIBLMVXGFF-UHFFFAOYSA-N 0 0 456.477 -0.469 20 5 JBBDRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000477178160 1067664671 /nfs/dbraw/zinc/66/46/71/1067664671.db2.gz OZLWNDDOUJUUOZ-LLVKDONJSA-N 0 0 463.490 -0.320 20 5 JBBDRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000477178168 1067664598 /nfs/dbraw/zinc/66/45/98/1067664598.db2.gz OZLWNDDOUJUUOZ-NSHDSACASA-N 0 0 463.490 -0.320 20 5 JBBDRN CN(CC(N)=O)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000478446272 1067968558 /nfs/dbraw/zinc/96/85/58/1067968558.db2.gz DAYKISMPTGZGPT-UHFFFAOYSA-N 0 0 469.520 -0.224 20 5 JBBDRN Cn1cnc2c1c(=O)n(CC(=O)N1CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC1)c(=O)n2C ZINC000478616234 1067969811 /nfs/dbraw/zinc/96/98/11/1067969811.db2.gz PKDMSONABUQYGL-UHFFFAOYSA-N 0 0 461.460 -0.612 20 5 JBBDRN Cn1c2ncn(CC(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)c2c(=O)n(C)c1=O ZINC000478643386 1067969590 /nfs/dbraw/zinc/96/95/90/1067969590.db2.gz OKUDJVDUOJVDLF-UHFFFAOYSA-N 0 0 461.460 -0.612 20 5 JBBDRN Cn1c2ncn(CCC(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)c2c(=O)n(C)c1=O ZINC000478664071 1067969734 /nfs/dbraw/zinc/96/97/34/1067969734.db2.gz ALKZVOGQXQGLPF-UHFFFAOYSA-N 0 0 475.487 -0.222 20 5 JBBDRN CS(=O)(=O)c1ccc(N2CCN(C(=O)CCCN3C(=O)CNC3=O)CC2)c([N+](=O)[O-])c1 ZINC000481653203 1067978477 /nfs/dbraw/zinc/97/84/77/1067978477.db2.gz CIVMQAULZKLZMW-UHFFFAOYSA-N 0 0 453.477 -0.021 20 5 JBBDRN CS(=O)(=O)c1ccc(N2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)c([N+](=O)[O-])c1 ZINC000481735993 1067726552 /nfs/dbraw/zinc/72/65/52/1067726552.db2.gz CPCGNHJNANTGFY-UHFFFAOYSA-N 0 0 475.549 -0.438 20 5 JBBDRN Cn1cc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cn1 ZINC000481798136 1067978867 /nfs/dbraw/zinc/97/88/67/1067978867.db2.gz DOLKFCRFGQCMBQ-UHFFFAOYSA-N 0 0 486.532 -0.641 20 5 JBBDRN COC(=O)[C@H](C)NC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000482876998 1067980279 /nfs/dbraw/zinc/98/02/79/1067980279.db2.gz FFMLHOXYZROFSG-AWEZNQCLSA-N 0 0 477.474 -0.607 20 5 JBBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000482876999 1067980371 /nfs/dbraw/zinc/98/03/71/1067980371.db2.gz FFMLHOXYZROFSG-CQSZACIVSA-N 0 0 477.474 -0.607 20 5 JBBDRN COC(=O)CNC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000482880792 1067980386 /nfs/dbraw/zinc/98/03/86/1067980386.db2.gz QQMWISPXQAPPIP-UHFFFAOYSA-N 0 0 463.447 -0.995 20 5 JBBDRN COC(=O)[C@H](C)NC(=O)c1ccc(N2CCN(C(=O)CN3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000482881871 1067980257 /nfs/dbraw/zinc/98/02/57/1067980257.db2.gz VHUQLJMDWJUDQY-HNNXBMFYSA-N 0 0 463.491 -0.133 20 5 JBBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(N2CCN(C(=O)CN3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000482881872 1067980336 /nfs/dbraw/zinc/98/03/36/1067980336.db2.gz VHUQLJMDWJUDQY-OAHLLOKOSA-N 0 0 463.491 -0.133 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3nc4ccccn4c3=O)CC2)cc1[N+](=O)[O-] ZINC000484486293 1067983099 /nfs/dbraw/zinc/98/30/99/1067983099.db2.gz HQNBQBMFIYANSU-UHFFFAOYSA-N 0 0 476.471 -0.054 20 5 JBBDRN O=[N+]([O-])c1cc(S(=O)(=O)NCCN2CCOCC2)ccc1NCCN1CCCS1(=O)=O ZINC000489284240 1067996329 /nfs/dbraw/zinc/99/63/29/1067996329.db2.gz GQGLTYVFEUSCJL-UHFFFAOYSA-N 0 0 477.565 -0.347 20 5 JBBDRN COCCN(CCOC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000489619296 1067998696 /nfs/dbraw/zinc/99/86/96/1067998696.db2.gz HDBLTTJFFJJTTG-UHFFFAOYSA-N 0 0 466.538 -0.259 20 5 JBBDRN CC(C)NC(=O)CN1CCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000490091228 1068001428 /nfs/dbraw/zinc/00/14/28/1068001428.db2.gz QFXQLHFROYXYQA-UHFFFAOYSA-N 0 0 498.606 -0.148 20 5 JBBDRN COCCN(CCOC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000490184973 1068001478 /nfs/dbraw/zinc/00/14/78/1068001478.db2.gz QHVMWGXJINQKHT-UHFFFAOYSA-N 0 0 496.564 -0.251 20 5 JBBDRN O=C(NCCOCCO)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000490361612 1068001848 /nfs/dbraw/zinc/00/18/48/1068001848.db2.gz FLIRTDHGHFLHDW-UHFFFAOYSA-N 0 0 486.547 -0.043 20 5 JBBDRN COC(=O)[C@H]1CN(C(=O)c2ccc(C(=O)N3CCO[C@H](C(=O)OC)C3)c([N+](=O)[O-])c2)CCO1 ZINC000490394186 1068001725 /nfs/dbraw/zinc/00/17/25/1068001725.db2.gz AZXSMZWGEXVYJI-CVEARBPZSA-N 0 0 465.415 -0.377 20 5 JBBDRN COC(=O)[C@@H]1CN(C(=O)c2ccc(C(=O)N3CCO[C@H](C(=O)OC)C3)c([N+](=O)[O-])c2)CCO1 ZINC000490394187 1068001861 /nfs/dbraw/zinc/00/18/61/1068001861.db2.gz AZXSMZWGEXVYJI-HOTGVXAUSA-N 0 0 465.415 -0.377 20 5 JBBDRN COC(=O)[C@H]1CN(C(=O)c2ccc(C(=O)N3CCO[C@@H](C(=O)OC)C3)c([N+](=O)[O-])c2)CCO1 ZINC000490394188 1068001615 /nfs/dbraw/zinc/00/16/15/1068001615.db2.gz AZXSMZWGEXVYJI-HZPDHXFCSA-N 0 0 465.415 -0.377 20 5 JBBDRN COC(=O)[C@H]1CN(C(=O)c2ccc(C(=O)N3CCO[C@H](C(=O)OC)C3)cc2[N+](=O)[O-])CCO1 ZINC000490394189 1068001790 /nfs/dbraw/zinc/00/17/90/1068001790.db2.gz AZXSMZWGEXVYJI-JKSUJKDBSA-N 0 0 465.415 -0.377 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCS3(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000490963338 1068007465 /nfs/dbraw/zinc/00/74/65/1068007465.db2.gz XPZPAFCKSIFUEX-UHFFFAOYSA-N 0 0 462.506 -0.528 20 5 JBBDRN Cc1nnc(CN(C)CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1C ZINC000492326067 1068077191 /nfs/dbraw/zinc/07/71/91/1068077191.db2.gz AXGCXSYNQJMULT-UHFFFAOYSA-N 0 0 451.509 -0.003 20 5 JBBDRN Cc1nnc(CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)n1C ZINC000492326408 1068077164 /nfs/dbraw/zinc/07/71/64/1068077164.db2.gz BHRMMOMPLONSRU-UHFFFAOYSA-N 0 0 451.509 -0.003 20 5 JBBDRN CS(=O)(=O)NCCCNc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000492557155 1068077612 /nfs/dbraw/zinc/07/76/12/1068077612.db2.gz HPQJVGCACSJWIJ-UHFFFAOYSA-N 0 0 465.554 -0.444 20 5 JBBDRN CCNC(=O)CN1CCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000492703332 1068077860 /nfs/dbraw/zinc/07/78/60/1068077860.db2.gz MSAUPGCNARXJIR-UHFFFAOYSA-N 0 0 484.579 -0.537 20 5 JBBDRN NC(=O)c1ccc(SCC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000493397115 1068078458 /nfs/dbraw/zinc/07/84/58/1068078458.db2.gz VXSABQPCPTZDCB-UHFFFAOYSA-N 0 0 451.505 -0.211 20 5 JBBDRN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000494089019 1068080190 /nfs/dbraw/zinc/08/01/90/1068080190.db2.gz JBQUOSUETUFDRJ-AWEZNQCLSA-N 0 0 497.530 -0.431 20 5 JBBDRN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000494089020 1068079983 /nfs/dbraw/zinc/07/99/83/1068079983.db2.gz JBQUOSUETUFDRJ-CQSZACIVSA-N 0 0 497.530 -0.431 20 5 JBBDRN CC(=O)N1CCN(c2ccc(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)cc2[N+](=O)[O-])CC1 ZINC000496945211 1068141789 /nfs/dbraw/zinc/14/17/89/1068141789.db2.gz SIUYVNFXGHVRHH-UHFFFAOYSA-N 0 0 488.545 -0.120 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CCCN3C(=O)CNC3=O)CC2)cc1[N+](=O)[O-] ZINC000497205925 1068149911 /nfs/dbraw/zinc/14/99/11/1068149911.db2.gz BSCFWZCHZSPFNN-UHFFFAOYSA-N 0 0 469.476 -0.232 20 5 JBBDRN COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c1=O ZINC000497670198 1068172954 /nfs/dbraw/zinc/17/29/54/1068172954.db2.gz JKUGSEIERBJYNP-UHFFFAOYSA-N 0 0 456.419 -0.431 20 5 JBBDRN COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c1=O ZINC000497671664 1068172901 /nfs/dbraw/zinc/17/29/01/1068172901.db2.gz UBJHPPHMIYRJOL-UHFFFAOYSA-N 0 0 494.482 -0.120 20 5 JBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000498023466 1068184659 /nfs/dbraw/zinc/18/46/59/1068184659.db2.gz BNGAJSMWRCMHPJ-UHFFFAOYSA-N 0 0 452.449 -0.119 20 5 JBBDRN CCS(=O)(=O)N1CCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000498247052 1068205520 /nfs/dbraw/zinc/20/55/20/1068205520.db2.gz FLRKBFKGZMYWRT-UHFFFAOYSA-N 0 0 491.592 -0.323 20 5 JBBDRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000498326223 1068208495 /nfs/dbraw/zinc/20/84/95/1068208495.db2.gz OVDOCHZUJBKSGV-AWEZNQCLSA-N 0 0 455.493 -0.454 20 5 JBBDRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000498326224 1068208480 /nfs/dbraw/zinc/20/84/80/1068208480.db2.gz OVDOCHZUJBKSGV-CQSZACIVSA-N 0 0 455.493 -0.454 20 5 JBBDRN O=C(NCC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000498330719 1068208853 /nfs/dbraw/zinc/20/88/53/1068208853.db2.gz UTOJRIBIFZAAKU-UHFFFAOYSA-N 0 0 470.508 -0.885 20 5 JBBDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000498357085 1068209568 /nfs/dbraw/zinc/20/95/68/1068209568.db2.gz WQSCGNBRAXAWAD-HOTGVXAUSA-N 0 0 498.562 -0.108 20 5 JBBDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C)O1 ZINC000498357087 1068209616 /nfs/dbraw/zinc/20/96/16/1068209616.db2.gz WQSCGNBRAXAWAD-HZPDHXFCSA-N 0 0 498.562 -0.108 20 5 JBBDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000498357088 1068209545 /nfs/dbraw/zinc/20/95/45/1068209545.db2.gz WQSCGNBRAXAWAD-IYBDPMFKSA-N 0 0 498.562 -0.108 20 5 JBBDRN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000498530682 1068220260 /nfs/dbraw/zinc/22/02/60/1068220260.db2.gz XLFQQGWDKBQHIP-CYBMUJFWSA-N 0 0 467.504 -0.011 20 5 JBBDRN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000498530683 1068220342 /nfs/dbraw/zinc/22/03/42/1068220342.db2.gz XLFQQGWDKBQHIP-ZDUSSCGKSA-N 0 0 467.504 -0.011 20 5 JBBDRN COCCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)CC1=O ZINC000498593875 1068227934 /nfs/dbraw/zinc/22/79/34/1068227934.db2.gz RKDKGIFAVXKFMU-AWEZNQCLSA-N 0 0 470.504 -0.069 20 5 JBBDRN COCCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)CC1=O ZINC000498593876 1068227878 /nfs/dbraw/zinc/22/78/78/1068227878.db2.gz RKDKGIFAVXKFMU-CQSZACIVSA-N 0 0 470.504 -0.069 20 5 JBBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)CNC(=O)CNC(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000498602355 1068234174 /nfs/dbraw/zinc/23/41/74/1068234174.db2.gz BRUCODMHZKNQSI-UHFFFAOYSA-N 0 0 498.562 -0.474 20 5 JBBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000499372958 1068376177 /nfs/dbraw/zinc/37/61/77/1068376177.db2.gz ROIFNPWTYZXBRJ-UHFFFAOYSA-N 0 0 450.477 -0.580 20 5 JBBDRN CC(=O)N1CCN(c2ccc(C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)cc2[N+](=O)[O-])CC1 ZINC000500344673 1067718850 /nfs/dbraw/zinc/71/88/50/1067718850.db2.gz JJDQWCLCHUHLKK-UHFFFAOYSA-N 0 0 472.502 -0.174 20 5 JBBDRN NC(=O)CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000500406237 1067719770 /nfs/dbraw/zinc/71/97/70/1067719770.db2.gz NPHKIKIFLXSXIG-UHFFFAOYSA-N 0 0 455.493 -0.566 20 5 JBBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCS(=O)(=O)N1CCSCC1 ZINC000500906494 1067741439 /nfs/dbraw/zinc/74/14/39/1067741439.db2.gz AWSDSJNLMHXIQA-UHFFFAOYSA-N 0 0 466.563 -0.242 20 5 JBBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCS(=O)(=O)N1CCSCC1 ZINC000500907412 1067741499 /nfs/dbraw/zinc/74/14/99/1067741499.db2.gz GBWJZHHLCIMXRY-UHFFFAOYSA-N 0 0 466.563 -0.242 20 5 JBBDRN CN1CCN(C(=O)CCNC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)CC1 ZINC000501014347 1067752088 /nfs/dbraw/zinc/75/20/88/1067752088.db2.gz KQPVJEKVZUSFOB-UHFFFAOYSA-N 0 0 482.563 -0.006 20 5 JBBDRN CN1CCN(C(=O)CCNC(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000501024790 1067752427 /nfs/dbraw/zinc/75/24/27/1067752427.db2.gz QMPKWYKYCYXMSE-UHFFFAOYSA-N 0 0 456.525 -0.127 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)NCCC(=O)N3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000501130242 1067752852 /nfs/dbraw/zinc/75/28/52/1067752852.db2.gz XVWIAFSZVBCCPF-UHFFFAOYSA-N 0 0 498.562 -0.217 20 5 JBBDRN CN1CCN(C(=O)CCNC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000501130382 1067752985 /nfs/dbraw/zinc/75/29/85/1067752985.db2.gz NFFUVXHQWFQCOG-UHFFFAOYSA-N 0 0 468.536 -0.225 20 5 JBBDRN CN1CCN(C(=O)CCNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000501133903 1067752902 /nfs/dbraw/zinc/75/29/02/1067752902.db2.gz XDMALWUGBJWKQE-UHFFFAOYSA-N 0 0 468.536 -0.225 20 5 JBBDRN CN1CCN(C(=O)CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000501134287 1067752912 /nfs/dbraw/zinc/75/29/12/1067752912.db2.gz YXQXIBLLEVDVRT-UHFFFAOYSA-N 0 0 468.536 -0.225 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCC[C@H](C(N)=O)C3)CC2)cc1[N+](=O)[O-] ZINC000501560530 1067756109 /nfs/dbraw/zinc/75/61/09/1067756109.db2.gz HCKNOCUHLXKNMR-AWEZNQCLSA-N 0 0 469.520 -0.366 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCC[C@@H](C(N)=O)C3)CC2)cc1[N+](=O)[O-] ZINC000501560539 1067756075 /nfs/dbraw/zinc/75/60/75/1067756075.db2.gz HCKNOCUHLXKNMR-CQSZACIVSA-N 0 0 469.520 -0.366 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](C)C(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000501562111 1067756177 /nfs/dbraw/zinc/75/61/77/1067756177.db2.gz VSVUJZZKMJNZMK-CYBMUJFWSA-N 0 0 457.509 -0.497 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000501562112 1067756250 /nfs/dbraw/zinc/75/62/50/1067756250.db2.gz VSVUJZZKMJNZMK-ZDUSSCGKSA-N 0 0 457.509 -0.497 20 5 JBBDRN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000501727351 1067756594 /nfs/dbraw/zinc/75/65/94/1067756594.db2.gz QEXSHEJKWDNSAG-CYBMUJFWSA-N 0 0 495.514 -0.141 20 5 JBBDRN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000501727354 1067756613 /nfs/dbraw/zinc/75/66/13/1067756613.db2.gz QEXSHEJKWDNSAG-ZDUSSCGKSA-N 0 0 495.514 -0.141 20 5 JBBDRN O=C(CN1CCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1)NC1CC1 ZINC000501896975 1067757771 /nfs/dbraw/zinc/75/77/71/1067757771.db2.gz HXUXXAHHBPIXGS-UHFFFAOYSA-N 0 0 496.590 -0.394 20 5 JBBDRN CN(C)S(=O)(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000502105585 1067759381 /nfs/dbraw/zinc/75/93/81/1067759381.db2.gz AIQTWFVDOLKBRZ-UHFFFAOYSA-N 0 0 463.538 -0.456 20 5 JBBDRN CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000502142312 1067759300 /nfs/dbraw/zinc/75/93/00/1067759300.db2.gz MPPIFWAPCNNKIE-KBPBESRZSA-N 0 0 477.565 -0.021 20 5 JBBDRN CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000502142313 1067759957 /nfs/dbraw/zinc/75/99/57/1067759957.db2.gz MPPIFWAPCNNKIE-OKILXGFUSA-N 0 0 477.565 -0.021 20 5 JBBDRN CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000502142314 1067759978 /nfs/dbraw/zinc/75/99/78/1067759978.db2.gz MPPIFWAPCNNKIE-ZIAGYGMSSA-N 0 0 477.565 -0.021 20 5 JBBDRN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCS(=O)(=O)N1CCSCC1 ZINC000502178821 1067759949 /nfs/dbraw/zinc/75/99/49/1067759949.db2.gz FDKLYDXQFMKXNV-UHFFFAOYSA-N 0 0 481.578 -0.449 20 5 JBBDRN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCS(=O)(=O)N1CCSCC1 ZINC000502218123 1067760348 /nfs/dbraw/zinc/76/03/48/1067760348.db2.gz HBGFHOGSHDHRSX-UHFFFAOYSA-N 0 0 481.578 -0.449 20 5 JBBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC(=O)NCC(=O)N2CCCC2)CC1 ZINC000502595163 1067761511 /nfs/dbraw/zinc/76/15/11/1067761511.db2.gz MOQUPJYEXIMHJI-UHFFFAOYSA-N 0 0 453.521 -0.052 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000502609560 1067761400 /nfs/dbraw/zinc/76/14/00/1067761400.db2.gz IBYUVBYFJUYQDP-UHFFFAOYSA-N 0 0 469.520 -0.352 20 5 JBBDRN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000502718970 1067763726 /nfs/dbraw/zinc/76/37/26/1067763726.db2.gz UVDJAFCVBYIUHA-CVEARBPZSA-N 0 0 455.493 -0.992 20 5 JBBDRN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000502718971 1067763650 /nfs/dbraw/zinc/76/36/50/1067763650.db2.gz UVDJAFCVBYIUHA-HOTGVXAUSA-N 0 0 455.493 -0.992 20 5 JBBDRN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000502718972 1067763574 /nfs/dbraw/zinc/76/35/74/1067763574.db2.gz UVDJAFCVBYIUHA-HZPDHXFCSA-N 0 0 455.493 -0.992 20 5 JBBDRN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000502718973 1067764031 /nfs/dbraw/zinc/76/40/31/1067764031.db2.gz UVDJAFCVBYIUHA-JKSUJKDBSA-N 0 0 455.493 -0.992 20 5 JBBDRN CC(=O)N1CCN(c2ccc(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000502722422 1067764110 /nfs/dbraw/zinc/76/41/10/1067764110.db2.gz LNPDMOHOMONVGP-FXAWDEMLSA-N 0 0 495.558 -0.509 20 5 JBBDRN CC(=O)N1CCN(c2ccc(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000502722428 1067764099 /nfs/dbraw/zinc/76/40/99/1067764099.db2.gz LNPDMOHOMONVGP-PXNSSMCTSA-N 0 0 495.558 -0.509 20 5 JBBDRN CC(=O)N1CCN(c2ccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000502722434 1067763942 /nfs/dbraw/zinc/76/39/42/1067763942.db2.gz LNPDMOHOMONVGP-XLIONFOSSA-N 0 0 495.558 -0.509 20 5 JBBDRN CC(=O)N1CCN(c2ccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000502722437 1067764009 /nfs/dbraw/zinc/76/40/09/1067764009.db2.gz LNPDMOHOMONVGP-YLJYHZDGSA-N 0 0 495.558 -0.509 20 5 JBBDRN NC(=O)c1ccc(SCC(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000502732472 1067765829 /nfs/dbraw/zinc/76/58/29/1067765829.db2.gz LDKMKCQTCCDRMN-GXTWGEPZSA-N 0 0 458.518 -0.600 20 5 JBBDRN NC(=O)c1ccc(SCC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000502732473 1067765756 /nfs/dbraw/zinc/76/57/56/1067765756.db2.gz LDKMKCQTCCDRMN-JSGCOSHPSA-N 0 0 458.518 -0.600 20 5 JBBDRN NC(=O)c1ccc(SCC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000502732474 1067765720 /nfs/dbraw/zinc/76/57/20/1067765720.db2.gz LDKMKCQTCCDRMN-OCCSQVGLSA-N 0 0 458.518 -0.600 20 5 JBBDRN NC(=O)c1ccc(SCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000502732475 1067765898 /nfs/dbraw/zinc/76/58/98/1067765898.db2.gz LDKMKCQTCCDRMN-TZMCWYRMSA-N 0 0 458.518 -0.600 20 5 JBBDRN Cc1c(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000502732547 1067766150 /nfs/dbraw/zinc/76/61/50/1067766150.db2.gz ZMVVOBKWTFRTGX-CVEARBPZSA-N 0 0 450.477 -0.288 20 5 JBBDRN Cc1c(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000502732548 1067766194 /nfs/dbraw/zinc/76/61/94/1067766194.db2.gz ZMVVOBKWTFRTGX-HOTGVXAUSA-N 0 0 450.477 -0.288 20 5 JBBDRN Cc1c(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000502732549 1067766100 /nfs/dbraw/zinc/76/61/00/1067766100.db2.gz ZMVVOBKWTFRTGX-HZPDHXFCSA-N 0 0 450.477 -0.288 20 5 JBBDRN Cc1c(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000502732550 1067766072 /nfs/dbraw/zinc/76/60/72/1067766072.db2.gz ZMVVOBKWTFRTGX-JKSUJKDBSA-N 0 0 450.477 -0.288 20 5 JBBDRN O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000503079473 1067767603 /nfs/dbraw/zinc/76/76/03/1067767603.db2.gz BQNLZLLJFXHNPE-UHFFFAOYSA-N 0 0 457.399 -0.989 20 5 JBBDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000503080880 1067767659 /nfs/dbraw/zinc/76/76/59/1067767659.db2.gz GFULDFJAZPEDGA-UHFFFAOYSA-N 0 0 455.493 -0.541 20 5 JBBDRN Cc1cc(=O)c(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000503085616 1067767955 /nfs/dbraw/zinc/76/79/55/1067767955.db2.gz ONOJLCDDSDFYMP-UHFFFAOYSA-N 0 0 482.453 -0.117 20 5 JBBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000503099240 1067767943 /nfs/dbraw/zinc/76/79/43/1067767943.db2.gz BBMBJBHCXCXOIG-UHFFFAOYSA-N 0 0 481.487 -0.917 20 5 JBBDRN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000503133384 1067768807 /nfs/dbraw/zinc/76/88/07/1067768807.db2.gz HWFNVFBXGKQYNW-UHFFFAOYSA-N 0 0 460.447 -0.786 20 5 JBBDRN CCS(=O)(=O)NCCNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000503214505 1067769468 /nfs/dbraw/zinc/76/94/68/1067769468.db2.gz BFWQOSMSZWMJST-UHFFFAOYSA-N 0 0 463.538 -0.231 20 5 JBBDRN CCS(=O)(=O)NCCNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000503214669 1067769585 /nfs/dbraw/zinc/76/95/85/1067769585.db2.gz BSLXDDSRETZUIH-UHFFFAOYSA-N 0 0 479.537 -0.441 20 5 JBBDRN CCS(=O)(=O)NCCNC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000503220910 1067770078 /nfs/dbraw/zinc/77/00/78/1067770078.db2.gz ZVMMIVQSMGDBGN-UHFFFAOYSA-N 0 0 463.538 -0.142 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)cc1[N+](=O)[O-] ZINC000503238155 1067769781 /nfs/dbraw/zinc/76/97/81/1067769781.db2.gz SOMRHIWJGSEHGX-UHFFFAOYSA-N 0 0 476.533 -0.833 20 5 JBBDRN CNC(=O)CN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)CC1 ZINC000503290287 1067771516 /nfs/dbraw/zinc/77/15/16/1067771516.db2.gz GRRZHQYSDHILTR-UHFFFAOYSA-N 0 0 498.562 -0.170 20 5 JBBDRN CNC(=O)CN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000503294515 1067771608 /nfs/dbraw/zinc/77/16/08/1067771608.db2.gz BNFZRGNMGBBGCK-UHFFFAOYSA-N 0 0 468.536 -0.179 20 5 JBBDRN CNC(=O)CN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000503295016 1067771492 /nfs/dbraw/zinc/77/14/92/1067771492.db2.gz CIONDMOZEFSZDV-UHFFFAOYSA-N 0 0 468.536 -0.179 20 5 JBBDRN CC(=O)NCCCNC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000503408008 1067771954 /nfs/dbraw/zinc/77/19/54/1067771954.db2.gz GZBUDKLPBZDNBN-UHFFFAOYSA-N 0 0 498.562 -0.027 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000503486021 1067772417 /nfs/dbraw/zinc/77/24/17/1067772417.db2.gz ZLQQZRPOMAMZBI-GFCCVEGCSA-N 0 0 462.506 -0.194 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000503486022 1067772456 /nfs/dbraw/zinc/77/24/56/1067772456.db2.gz ZLQQZRPOMAMZBI-LBPRGKRZSA-N 0 0 462.506 -0.194 20 5 JBBDRN NC(=O)[C@@H]1CCCCN1C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000503890838 1067774638 /nfs/dbraw/zinc/77/46/38/1067774638.db2.gz JJHGSBMKLBCJSL-AWEZNQCLSA-N 0 0 456.477 -0.139 20 5 JBBDRN NC(=O)[C@H]1CCCCN1C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000503890853 1067774573 /nfs/dbraw/zinc/77/45/73/1067774573.db2.gz JJHGSBMKLBCJSL-CQSZACIVSA-N 0 0 456.477 -0.139 20 5 JBBDRN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c1 ZINC000504507542 1067776674 /nfs/dbraw/zinc/77/66/74/1067776674.db2.gz JDFHUOYCCBEELD-UHFFFAOYSA-N 0 0 456.419 -0.431 20 5 JBBDRN C[C@H](NC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)C(=O)N(C)C ZINC000504518892 1067776733 /nfs/dbraw/zinc/77/67/33/1067776733.db2.gz LAWJVFSJVIXIEU-HNNXBMFYSA-N 0 0 498.562 -0.076 20 5 JBBDRN C[C@@H](NC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)C(=O)N(C)C ZINC000504518893 1067776632 /nfs/dbraw/zinc/77/66/32/1067776632.db2.gz LAWJVFSJVIXIEU-OAHLLOKOSA-N 0 0 498.562 -0.076 20 5 JBBDRN CN(C)C(=O)CCNC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000505066594 1067777761 /nfs/dbraw/zinc/77/77/61/1067777761.db2.gz NXSICMRJKMXLRW-UHFFFAOYSA-N 0 0 498.562 -0.074 20 5 JBBDRN COCCN(CCOC)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000505784123 1067823336 /nfs/dbraw/zinc/82/33/36/1067823336.db2.gz WCFDUFKBVDGESK-UHFFFAOYSA-N 0 0 466.538 -0.259 20 5 JBBDRN COCCCNC(=O)[C@H](C)N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000505970622 1067847116 /nfs/dbraw/zinc/84/71/16/1067847116.db2.gz KHCLMVXZJUTREX-AWEZNQCLSA-N 0 0 461.475 -0.124 20 5 JBBDRN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000505970623 1067846913 /nfs/dbraw/zinc/84/69/13/1067846913.db2.gz KHCLMVXZJUTREX-CQSZACIVSA-N 0 0 461.475 -0.124 20 5 JBBDRN CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000506061470 1067851749 /nfs/dbraw/zinc/85/17/49/1067851749.db2.gz NBYYLFHLBPPWPJ-UHFFFAOYSA-N 0 0 462.554 -0.883 20 5 JBBDRN C[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000506752460 1067886310 /nfs/dbraw/zinc/88/63/10/1067886310.db2.gz UHQUGLKFOWUYGN-KBPBESRZSA-N 0 0 490.560 -0.033 20 5 JBBDRN C[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000506752465 1067886531 /nfs/dbraw/zinc/88/65/31/1067886531.db2.gz UHQUGLKFOWUYGN-KGLIPLIRSA-N 0 0 490.560 -0.033 20 5 JBBDRN C[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000506752467 1067886252 /nfs/dbraw/zinc/88/62/52/1067886252.db2.gz UHQUGLKFOWUYGN-UONOGXRCSA-N 0 0 490.560 -0.033 20 5 JBBDRN C[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000506752469 1067886412 /nfs/dbraw/zinc/88/64/12/1067886412.db2.gz UHQUGLKFOWUYGN-ZIAGYGMSSA-N 0 0 490.560 -0.033 20 5 JBBDRN CCS(=O)(=O)NCCNc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000506755510 1067886375 /nfs/dbraw/zinc/88/63/75/1067886375.db2.gz VPBZGXRHVHUDLG-UHFFFAOYSA-N 0 0 465.554 -0.444 20 5 JBBDRN NS(=O)(=O)c1ccc(NCCC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000506928818 1067892910 /nfs/dbraw/zinc/89/29/10/1067892910.db2.gz PRGDGHMJPUVKQV-INIZCTEOSA-N 0 0 455.493 -0.106 20 5 JBBDRN NS(=O)(=O)c1ccc(NCCC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000506928819 1067892684 /nfs/dbraw/zinc/89/26/84/1067892684.db2.gz PRGDGHMJPUVKQV-MRXNPFEDSA-N 0 0 455.493 -0.106 20 5 JBBDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000507021495 1067893703 /nfs/dbraw/zinc/89/37/03/1067893703.db2.gz FAEXCUJHAKJZHR-GASCZTMLSA-N 0 0 469.520 -0.177 20 5 JBBDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000507021501 1067893728 /nfs/dbraw/zinc/89/37/28/1067893728.db2.gz FAEXCUJHAKJZHR-GJZGRUSLSA-N 0 0 469.520 -0.177 20 5 JBBDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 ZINC000507021502 1067893776 /nfs/dbraw/zinc/89/37/76/1067893776.db2.gz FAEXCUJHAKJZHR-HUUCEWRRSA-N 0 0 469.520 -0.177 20 5 JBBDRN NS(=O)(=O)c1ccc(NCCC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000507066463 1067893637 /nfs/dbraw/zinc/89/36/37/1067893637.db2.gz YTKLWSMWMCQGGW-UHFFFAOYSA-N 0 0 484.535 -0.953 20 5 JBBDRN NS(=O)(=O)c1ccc(NCCC(=O)N2CCN(CC(=O)NC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000507189560 1067894189 /nfs/dbraw/zinc/89/41/89/1067894189.db2.gz JEBLZLSDILGMLA-UHFFFAOYSA-N 0 0 454.509 -0.533 20 5 JBBDRN O=C([C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(c2ncccn2)CC1 ZINC000507458802 1067894929 /nfs/dbraw/zinc/89/49/29/1067894929.db2.gz HHFHJEGFXBKQSI-HOCLYGCPSA-N 0 0 462.488 -0.143 20 5 JBBDRN O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(c2ncccn2)CC1 ZINC000507458806 1067894994 /nfs/dbraw/zinc/89/49/94/1067894994.db2.gz HHFHJEGFXBKQSI-ZBFHGGJFSA-N 0 0 462.488 -0.143 20 5 JBBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1 ZINC000507491537 1067895275 /nfs/dbraw/zinc/89/52/75/1067895275.db2.gz FJYMIPGTJBYKSI-UHFFFAOYSA-N 0 0 467.547 -0.192 20 5 JBBDRN COCCS(=O)(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000507517673 1067895456 /nfs/dbraw/zinc/89/54/56/1067895456.db2.gz XDOPQHYPQRGIMW-UHFFFAOYSA-N 0 0 478.549 -0.286 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)C3CCS(=O)(=O)CC3)CC2)cc1[N+](=O)[O-] ZINC000507517891 1067895412 /nfs/dbraw/zinc/89/54/12/1067895412.db2.gz YNGZPUACVSLJGP-UHFFFAOYSA-N 0 0 497.573 -0.183 20 5 JBBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)C3CCS(=O)(=O)CC3)CC2)c1 ZINC000507570793 1067896467 /nfs/dbraw/zinc/89/64/67/1067896467.db2.gz UUPGQIDUKPSDGD-UHFFFAOYSA-N 0 0 467.547 -0.192 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)CN(C)C3=O)CC2)cc1[N+](=O)[O-] ZINC000507849809 1067907469 /nfs/dbraw/zinc/90/74/69/1067907469.db2.gz GYACPCCXYNZEMZ-UHFFFAOYSA-N 0 0 455.449 -0.670 20 5 JBBDRN Cc1cc(=O)c(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000507900804 1067907705 /nfs/dbraw/zinc/90/77/05/1067907705.db2.gz IHWACJNHBVFUIJ-PBHICJAKSA-N 0 0 477.499 -0.323 20 5 JBBDRN Cc1cc(=O)c(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000507900820 1067907765 /nfs/dbraw/zinc/90/77/65/1067907765.db2.gz IHWACJNHBVFUIJ-RHSMWYFYSA-N 0 0 477.499 -0.323 20 5 JBBDRN Cc1cc(=O)c(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000507900822 1067907745 /nfs/dbraw/zinc/90/77/45/1067907745.db2.gz IHWACJNHBVFUIJ-WMLDXEAASA-N 0 0 477.499 -0.323 20 5 JBBDRN Cc1cc(=O)c(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000507900823 1067907797 /nfs/dbraw/zinc/90/77/97/1067907797.db2.gz IHWACJNHBVFUIJ-YOEHRIQHSA-N 0 0 477.499 -0.323 20 5 JBBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000507904263 1067908221 /nfs/dbraw/zinc/90/82/21/1067908221.db2.gz VBWHUZBUSGBOIU-GDBMZVCRSA-N 0 0 468.488 -0.103 20 5 JBBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000507904269 1067908215 /nfs/dbraw/zinc/90/82/15/1067908215.db2.gz VBWHUZBUSGBOIU-GOEBONIOSA-N 0 0 468.488 -0.103 20 5 JBBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000507904272 1067908130 /nfs/dbraw/zinc/90/81/30/1067908130.db2.gz VBWHUZBUSGBOIU-HOCLYGCPSA-N 0 0 468.488 -0.103 20 5 JBBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000507904277 1067908201 /nfs/dbraw/zinc/90/82/01/1067908201.db2.gz VBWHUZBUSGBOIU-ZBFHGGJFSA-N 0 0 468.488 -0.103 20 5 JBBDRN Cc1nc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cn1C ZINC000507956785 1067908617 /nfs/dbraw/zinc/90/86/17/1067908617.db2.gz PVMNOGRMGLJNFJ-UHFFFAOYSA-N 0 0 486.532 -0.552 20 5 JBBDRN CCS(=O)(=O)NCCCNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000508282008 1067911706 /nfs/dbraw/zinc/91/17/06/1067911706.db2.gz XTWSQCFMMDHITO-UHFFFAOYSA-N 0 0 463.538 -0.060 20 5 JBBDRN CCS(=O)(=O)NCCCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000508282150 1067911777 /nfs/dbraw/zinc/91/17/77/1067911777.db2.gz YXXFYQGVCUCVDP-UHFFFAOYSA-N 0 0 463.538 -0.060 20 5 JBBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000508392292 1067919110 /nfs/dbraw/zinc/91/91/10/1067919110.db2.gz WIMUZYXTYFWDIX-CVEARBPZSA-N 0 0 468.488 -0.415 20 5 JBBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000508392294 1067919195 /nfs/dbraw/zinc/91/91/95/1067919195.db2.gz WIMUZYXTYFWDIX-HOTGVXAUSA-N 0 0 468.488 -0.415 20 5 JBBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000508392296 1067919094 /nfs/dbraw/zinc/91/90/94/1067919094.db2.gz WIMUZYXTYFWDIX-HZPDHXFCSA-N 0 0 468.488 -0.415 20 5 JBBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000508392455 1067919656 /nfs/dbraw/zinc/91/96/56/1067919656.db2.gz WIMUZYXTYFWDIX-JKSUJKDBSA-N 0 0 468.488 -0.415 20 5 JBBDRN O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000508423652 1067925384 /nfs/dbraw/zinc/92/53/84/1067925384.db2.gz CWXZYHQVWDGXOO-HNNXBMFYSA-N 0 0 493.542 -0.055 20 5 JBBDRN O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000508423653 1067925428 /nfs/dbraw/zinc/92/54/28/1067925428.db2.gz CWXZYHQVWDGXOO-OAHLLOKOSA-N 0 0 493.542 -0.055 20 5 JBBDRN CNC(=O)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000508520936 1068424042 /nfs/dbraw/zinc/42/40/42/1068424042.db2.gz RUIIBFCVYYFXNL-HNNXBMFYSA-N 0 0 453.521 -0.114 20 5 JBBDRN CNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000508520942 1068423944 /nfs/dbraw/zinc/42/39/44/1068423944.db2.gz RUIIBFCVYYFXNL-OAHLLOKOSA-N 0 0 453.521 -0.114 20 5 JBBDRN COCCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000508617735 1067947467 /nfs/dbraw/zinc/94/74/67/1067947467.db2.gz YTYFKQZFIAUTCZ-KRWDZBQOSA-N 0 0 497.574 -0.098 20 5 JBBDRN COCCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000508617736 1067947791 /nfs/dbraw/zinc/94/77/91/1067947791.db2.gz YTYFKQZFIAUTCZ-QGZVFWFLSA-N 0 0 497.574 -0.098 20 5 JBBDRN COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000509006947 1068415848 /nfs/dbraw/zinc/41/58/48/1068415848.db2.gz NSIHXUBIAWTBNT-BBRMVZONSA-N 0 0 468.488 -0.114 20 5 JBBDRN COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000509006950 1068415983 /nfs/dbraw/zinc/41/59/83/1068415983.db2.gz NSIHXUBIAWTBNT-CJNGLKHVSA-N 0 0 468.488 -0.114 20 5 JBBDRN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000509006953 1067925052 /nfs/dbraw/zinc/92/50/52/1067925052.db2.gz NSIHXUBIAWTBNT-CZUORRHYSA-N 0 0 468.488 -0.114 20 5 JBBDRN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000509006956 1068416091 /nfs/dbraw/zinc/41/60/91/1068416091.db2.gz NSIHXUBIAWTBNT-XJKSGUPXSA-N 0 0 468.488 -0.114 20 5 JBBDRN O=C(Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000509033895 1068416948 /nfs/dbraw/zinc/41/69/48/1068416948.db2.gz UHIIPMYFAYTQDM-HNNXBMFYSA-N 0 0 451.461 -0.257 20 5 JBBDRN O=C(Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000509033896 1068417011 /nfs/dbraw/zinc/41/70/11/1068417011.db2.gz UHIIPMYFAYTQDM-OAHLLOKOSA-N 0 0 451.461 -0.257 20 5 JBBDRN O=C(CN1C(=O)NC2(CCC2)C1=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000509049041 1068417577 /nfs/dbraw/zinc/41/75/77/1068417577.db2.gz HNPZPKRMFULURZ-UHFFFAOYSA-N 0 0 451.461 -0.098 20 5 JBBDRN O=C(CN1C(=O)NC2(CCC2)C1=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000509055812 1068417678 /nfs/dbraw/zinc/41/76/78/1068417678.db2.gz YIBHQAWRWPSBMH-UHFFFAOYSA-N 0 0 451.461 -0.098 20 5 JBBDRN Cc1c(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000509229642 1068425605 /nfs/dbraw/zinc/42/56/05/1068425605.db2.gz DZQMZHYUYXZGGQ-UHFFFAOYSA-N 0 0 478.535 -0.266 20 5 JBBDRN COc1cc(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000509232254 1068425771 /nfs/dbraw/zinc/42/57/71/1068425771.db2.gz KBVDVZCXUDMSSF-UHFFFAOYSA-N 0 0 457.509 -0.138 20 5 JBBDRN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000509763954 1067737275 /nfs/dbraw/zinc/73/72/75/1067737275.db2.gz SMBYEEJGLPCHMT-AWEZNQCLSA-N 0 0 450.495 -0.265 20 5 JBBDRN CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000509763958 1067737699 /nfs/dbraw/zinc/73/76/99/1067737699.db2.gz SMBYEEJGLPCHMT-CQSZACIVSA-N 0 0 450.495 -0.265 20 5 JBBDRN CN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000509799515 1067741067 /nfs/dbraw/zinc/74/10/67/1067741067.db2.gz RSMURKCLGZXSCO-HNNXBMFYSA-N 0 0 460.534 -0.453 20 5 JBBDRN CN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000509799516 1067740994 /nfs/dbraw/zinc/74/09/94/1067740994.db2.gz RSMURKCLGZXSCO-OAHLLOKOSA-N 0 0 460.534 -0.453 20 5 JBBDRN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000509804119 1067741429 /nfs/dbraw/zinc/74/14/29/1067741429.db2.gz KKOBXCRKXAOYDF-AWEZNQCLSA-N 0 0 450.495 -0.265 20 5 JBBDRN CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000509804123 1067741458 /nfs/dbraw/zinc/74/14/58/1067741458.db2.gz KKOBXCRKXAOYDF-CQSZACIVSA-N 0 0 450.495 -0.265 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)[C@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000509815007 1067741351 /nfs/dbraw/zinc/74/13/51/1067741351.db2.gz XKKYKJAYBRJSJY-AWEZNQCLSA-N 0 0 490.560 -0.445 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000509815009 1067741367 /nfs/dbraw/zinc/74/13/67/1067741367.db2.gz XKKYKJAYBRJSJY-CQSZACIVSA-N 0 0 490.560 -0.445 20 5 JBBDRN O=C(CN1CCN(C(=O)CN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1)N1CCOCC1 ZINC000510210901 1067646320 /nfs/dbraw/zinc/64/63/20/1067646320.db2.gz SYHQYXAVJHKCTQ-UHFFFAOYSA-N 0 0 460.535 -0.280 20 5 JBBDRN Cc1nc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cn1C ZINC000510897312 1067670177 /nfs/dbraw/zinc/67/01/77/1067670177.db2.gz XGECQBJZWRNXAR-UHFFFAOYSA-N 0 0 456.506 -0.039 20 5 JBBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000511265782 1067686119 /nfs/dbraw/zinc/68/61/19/1067686119.db2.gz MKLXAQZOANNNNL-UHFFFAOYSA-N 0 0 453.839 -0.284 20 5 JBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000511370399 1067694118 /nfs/dbraw/zinc/69/41/18/1067694118.db2.gz HPWCAPIVTMJERK-UHFFFAOYSA-N 0 0 481.491 -0.318 20 5 JBBDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000511556367 1067710833 /nfs/dbraw/zinc/71/08/33/1067710833.db2.gz SWYOFBGAHMRVKP-UHFFFAOYSA-N 0 0 474.927 -0.177 20 5 JBBDRN COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1=O ZINC000511667154 1067720029 /nfs/dbraw/zinc/72/00/29/1067720029.db2.gz VZDLOVIPRVWRPE-UHFFFAOYSA-N 0 0 494.482 -0.120 20 5 JBBDRN O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000511881799 1067722674 /nfs/dbraw/zinc/72/26/74/1067722674.db2.gz KZYUACDPWGMDGK-UHFFFAOYSA-N 0 0 459.415 -0.860 20 5 JBBDRN CN(CC(=O)N1CCOCC1)C(=O)Cn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O ZINC000512064940 1067729923 /nfs/dbraw/zinc/72/99/23/1067729923.db2.gz UBCKPTBBCZTJOE-UHFFFAOYSA-N 0 0 455.431 -0.192 20 5 JBBDRN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c1 ZINC000512110817 1067729829 /nfs/dbraw/zinc/72/98/29/1067729829.db2.gz YYOPHMNUEHXLTR-UHFFFAOYSA-N 0 0 494.482 -0.120 20 5 JBBDRN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000512115818 1067729956 /nfs/dbraw/zinc/72/99/56/1067729956.db2.gz VIPXRHQCVMXVDU-KBPBESRZSA-N 0 0 457.461 -0.262 20 5 JBBDRN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000512115819 1067729776 /nfs/dbraw/zinc/72/97/76/1067729776.db2.gz VIPXRHQCVMXVDU-KGLIPLIRSA-N 0 0 457.461 -0.262 20 5 JBBDRN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000512115820 1067729987 /nfs/dbraw/zinc/72/99/87/1067729987.db2.gz VIPXRHQCVMXVDU-UONOGXRCSA-N 0 0 457.461 -0.262 20 5 JBBDRN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000512115821 1067729789 /nfs/dbraw/zinc/72/97/89/1067729789.db2.gz VIPXRHQCVMXVDU-ZIAGYGMSSA-N 0 0 457.461 -0.262 20 5 JBBDRN COCCNC(=O)CN1CCN(C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)CC1 ZINC000512359106 1067732348 /nfs/dbraw/zinc/73/23/48/1067732348.db2.gz AXMLCDNVQJJNEA-UHFFFAOYSA-N 0 0 458.475 -0.030 20 5 JBBDRN COCCNC(=O)CN1CCN(C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)CC1 ZINC000512359696 1067732338 /nfs/dbraw/zinc/73/23/38/1067732338.db2.gz LCLDQAZLACXALC-UHFFFAOYSA-N 0 0 476.534 -0.216 20 5 JBBDRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000512550584 1067737228 /nfs/dbraw/zinc/73/72/28/1067737228.db2.gz JOXVRFDNCNDCTQ-GFCCVEGCSA-N 0 0 458.518 -0.062 20 5 JBBDRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000512550585 1067737332 /nfs/dbraw/zinc/73/73/32/1067737332.db2.gz JOXVRFDNCNDCTQ-LBPRGKRZSA-N 0 0 458.518 -0.062 20 5 JBBDRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000512617982 1067738844 /nfs/dbraw/zinc/73/88/44/1067738844.db2.gz GZNMWABRBJBGOZ-GFCCVEGCSA-N 0 0 454.461 -0.528 20 5 JBBDRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000512618001 1067738904 /nfs/dbraw/zinc/73/89/04/1067738904.db2.gz GZNMWABRBJBGOZ-LBPRGKRZSA-N 0 0 454.461 -0.528 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3C)CC2)cc1[N+](=O)[O-] ZINC000512713134 1067739896 /nfs/dbraw/zinc/73/98/96/1067739896.db2.gz WVQUDKYIVRBPNW-UHFFFAOYSA-N 0 0 479.475 -0.200 20 5 JBBDRN CCOC(=O)C1CCN(S(=O)(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000512778407 1067740934 /nfs/dbraw/zinc/74/09/34/1067740934.db2.gz GUTLVAUSTKECIZ-UHFFFAOYSA-N 0 0 464.522 -0.017 20 5 JBBDRN COC(=O)C1CCN(S(=O)(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000512778795 1067740515 /nfs/dbraw/zinc/74/05/15/1067740515.db2.gz KQKFYQUGMQSCOO-UHFFFAOYSA-N 0 0 450.495 -0.408 20 5 JBBDRN O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000512891751 1067742210 /nfs/dbraw/zinc/74/22/10/1067742210.db2.gz RQEZOBQNYCEKDE-UHFFFAOYSA-N 0 0 476.265 -0.286 20 5 JBBDRN CN(CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccnc1 ZINC000512903639 1067742339 /nfs/dbraw/zinc/74/23/39/1067742339.db2.gz CTPWBXHEBBQVBG-UHFFFAOYSA-N 0 0 457.490 -0.295 20 5 JBBDRN C[C@@H]1CN(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000513097365 1067743720 /nfs/dbraw/zinc/74/37/20/1067743720.db2.gz SVMGEVZRSSZILW-BETUJISGSA-N 0 0 463.538 -0.282 20 5 JBBDRN C[C@@H]1CN(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000513097366 1067743661 /nfs/dbraw/zinc/74/36/61/1067743661.db2.gz SVMGEVZRSSZILW-CHWSQXEVSA-N 0 0 463.538 -0.282 20 5 JBBDRN C[C@H]1CN(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000513097367 1067743532 /nfs/dbraw/zinc/74/35/32/1067743532.db2.gz SVMGEVZRSSZILW-STQMWFEESA-N 0 0 463.538 -0.282 20 5 JBBDRN Cn1cc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000514136898 1067779249 /nfs/dbraw/zinc/77/92/49/1067779249.db2.gz VNOJBPLNNNEPTB-UHFFFAOYSA-N 0 0 472.505 -0.860 20 5 JBBDRN CS(=O)(=O)N1CCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000514315005 1067779286 /nfs/dbraw/zinc/77/92/86/1067779286.db2.gz RXTWVJXVNWJCMR-UHFFFAOYSA-N 0 0 477.565 -0.713 20 5 JBBDRN NS(=O)(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000514317146 1067779656 /nfs/dbraw/zinc/77/96/56/1067779656.db2.gz WGNFBFJFFLBUTF-UHFFFAOYSA-N 0 0 461.522 -0.657 20 5 JBBDRN O=C(CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000514326480 1067780299 /nfs/dbraw/zinc/78/02/99/1067780299.db2.gz BPUOKVJGPQFCQT-LLVKDONJSA-N 0 0 459.506 -0.573 20 5 JBBDRN O=C(CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000514326482 1067780380 /nfs/dbraw/zinc/78/03/80/1067780380.db2.gz BPUOKVJGPQFCQT-NSHDSACASA-N 0 0 459.506 -0.573 20 5 JBBDRN O=C(CN1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000514327319 1067784686 /nfs/dbraw/zinc/78/46/86/1067784686.db2.gz BZRXOSUEHIZXLU-UHFFFAOYSA-N 0 0 468.536 -0.177 20 5 JBBDRN CCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)C(=O)C1=O ZINC000514332443 1067679529 /nfs/dbraw/zinc/67/95/29/1067679529.db2.gz PYHSICMQJZXCJK-UHFFFAOYSA-N 0 0 467.504 -0.573 20 5 JBBDRN Cc1c(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000514335156 1067781703 /nfs/dbraw/zinc/78/17/03/1067781703.db2.gz AJIUFWMUBSKNJR-UHFFFAOYSA-N 0 0 454.509 -0.522 20 5 JBBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000514341546 1067789415 /nfs/dbraw/zinc/78/94/15/1067789415.db2.gz SQYOQLDXWPCOLK-UHFFFAOYSA-N 0 0 469.520 -0.734 20 5 JBBDRN CN1CCN(S(=O)(=O)c2ccc(N3CCC4(CC3)NC(=O)NC4=O)c([N+](=O)[O-])c2)CC1 ZINC000514362679 1067793304 /nfs/dbraw/zinc/79/33/04/1067793304.db2.gz IYYDXFTXPGNRQO-UHFFFAOYSA-N 0 0 452.493 -0.291 20 5 JBBDRN O=C(CN1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)NC1CC1 ZINC000514368399 1067791344 /nfs/dbraw/zinc/79/13/44/1067791344.db2.gz LKIUXUILCOHMKX-UHFFFAOYSA-N 0 0 454.509 -0.521 20 5 JBBDRN CN(C)C(=O)CNC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000514369858 1067791563 /nfs/dbraw/zinc/79/15/63/1067791563.db2.gz OHIVNXFVKCIGPB-UHFFFAOYSA-N 0 0 484.535 -0.465 20 5 JBBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000514370927 1067793655 /nfs/dbraw/zinc/79/36/55/1067793655.db2.gz FIQIWXVHPXGDEP-UHFFFAOYSA-N 0 0 467.504 -0.444 20 5 JBBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000514371314 1067791954 /nfs/dbraw/zinc/79/19/54/1067791954.db2.gz MONXYRPRYIGDGI-UHFFFAOYSA-N 0 0 455.493 -0.564 20 5 JBBDRN Cn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1C(N)=O ZINC000514388758 1067795015 /nfs/dbraw/zinc/79/50/15/1067795015.db2.gz XXIPXFDMAVMYSC-UHFFFAOYSA-N 0 0 457.490 -0.273 20 5 JBBDRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])NCC(=O)N1CCCC1 ZINC000514399799 1067795451 /nfs/dbraw/zinc/79/54/51/1067795451.db2.gz HNWFGSGXQGYSQQ-UHFFFAOYSA-N 0 0 456.477 -0.267 20 5 JBBDRN CCN1CCN(CC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C(=O)C1=O ZINC000514461140 1067796550 /nfs/dbraw/zinc/79/65/50/1067796550.db2.gz XYXRMAAYQQKKOL-UHFFFAOYSA-N 0 0 467.504 -0.662 20 5 JBBDRN CNC(=O)CCCNC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000514462806 1067798257 /nfs/dbraw/zinc/79/82/57/1067798257.db2.gz UQUWSWGAVLKBLA-UHFFFAOYSA-N 0 0 498.562 -0.027 20 5 JBBDRN O=C(NCCN1CCCS1(=O)=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000514464386 1067798677 /nfs/dbraw/zinc/79/86/77/1067798677.db2.gz NCMUPLPNCJFRTN-UHFFFAOYSA-N 0 0 461.522 -0.354 20 5 JBBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000514468272 1067800929 /nfs/dbraw/zinc/80/09/29/1067800929.db2.gz VTVIVNFKXHFEGF-HNNXBMFYSA-N 0 0 460.534 -0.406 20 5 JBBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000514468273 1067800755 /nfs/dbraw/zinc/80/07/55/1067800755.db2.gz VTVIVNFKXHFEGF-OAHLLOKOSA-N 0 0 460.534 -0.406 20 5 JBBDRN COCC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CCN(C(=O)COC)CC3)c([N+](=O)[O-])c2)CC1 ZINC000514473122 1067803318 /nfs/dbraw/zinc/80/33/18/1067803318.db2.gz OSQZQNYGOAHPGZ-UHFFFAOYSA-N 0 0 491.501 -0.544 20 5 JBBDRN O=C(CN1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)NC1CC1 ZINC000514475219 1067804629 /nfs/dbraw/zinc/80/46/29/1067804629.db2.gz AZSULUMJWJZGHY-UHFFFAOYSA-N 0 0 454.509 -0.521 20 5 JBBDRN O=C(NCCN1CCCS1(=O)=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000514476171 1067804606 /nfs/dbraw/zinc/80/46/06/1067804606.db2.gz NHFAVBNBVLFENX-UHFFFAOYSA-N 0 0 461.522 -0.354 20 5 JBBDRN CC(=O)NCCNC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000514477762 1067806103 /nfs/dbraw/zinc/80/61/03/1067806103.db2.gz MEZFGJOFQCUEEL-UHFFFAOYSA-N 0 0 484.535 -0.417 20 5 JBBDRN NS(=O)(=O)c1ccc(NCCC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000514480348 1067806225 /nfs/dbraw/zinc/80/62/25/1067806225.db2.gz RWZFBXAZKLRRNO-UHFFFAOYSA-N 0 0 482.519 -0.663 20 5 JBBDRN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000514482022 1067807998 /nfs/dbraw/zinc/80/79/98/1067807998.db2.gz RPISQUQWYNUQLL-GFCCVEGCSA-N 0 0 466.480 -0.603 20 5 JBBDRN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000514482023 1067807814 /nfs/dbraw/zinc/80/78/14/1067807814.db2.gz RPISQUQWYNUQLL-LBPRGKRZSA-N 0 0 466.480 -0.603 20 5 JBBDRN O=C(CN1CCOCC1)N1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000514482367 1067807244 /nfs/dbraw/zinc/80/72/44/1067807244.db2.gz ZIWZMRSOKUUGNP-UHFFFAOYSA-N 0 0 484.535 -0.941 20 5 JBBDRN CC(=O)N1CCN(c2ccc(C(=O)NCCN3CCS(=O)(=O)CC3)cc2[N+](=O)[O-])CC1 ZINC000514482941 1067809027 /nfs/dbraw/zinc/80/90/27/1067809027.db2.gz QLAUIXISAVRICV-UHFFFAOYSA-N 0 0 453.521 -0.277 20 5 JBBDRN CN1CCN(S(=O)(=O)c2ccc(N3CCN(C(=O)C(=O)N4CCCC4)CC3)c([N+](=O)[O-])c2)CC1 ZINC000514483370 1067808933 /nfs/dbraw/zinc/80/89/33/1067808933.db2.gz LCTRVQDCMZXKPQ-UHFFFAOYSA-N 0 0 494.574 -0.198 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)CC2)cc1[N+](=O)[O-] ZINC000514573699 1067811577 /nfs/dbraw/zinc/81/15/77/1067811577.db2.gz LCWDIFWHGMFWIL-UHFFFAOYSA-N 0 0 453.433 -0.451 20 5 JBBDRN C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000514754057 1067813068 /nfs/dbraw/zinc/81/30/68/1067813068.db2.gz IIJQVBPKZBRKSW-KBPBESRZSA-N 0 0 460.534 -0.407 20 5 JBBDRN C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000514754058 1067812883 /nfs/dbraw/zinc/81/28/83/1067812883.db2.gz IIJQVBPKZBRKSW-KGLIPLIRSA-N 0 0 460.534 -0.407 20 5 JBBDRN C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000514754059 1067812950 /nfs/dbraw/zinc/81/29/50/1067812950.db2.gz IIJQVBPKZBRKSW-UONOGXRCSA-N 0 0 460.534 -0.407 20 5 JBBDRN C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000514754060 1067812831 /nfs/dbraw/zinc/81/28/31/1067812831.db2.gz IIJQVBPKZBRKSW-ZIAGYGMSSA-N 0 0 460.534 -0.407 20 5 JBBDRN CC(C)(C)NC(=O)CN1CCN(C(=O)COc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000514935664 1067815307 /nfs/dbraw/zinc/81/53/07/1067815307.db2.gz ACMIMWCCZGWALZ-UHFFFAOYSA-N 0 0 457.509 -0.320 20 5 JBBDRN COCCN(CCOC)S(=O)(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000515526941 1067820199 /nfs/dbraw/zinc/82/01/99/1067820199.db2.gz VHWCOBIJHFWIGV-UHFFFAOYSA-N 0 0 480.565 -0.040 20 5 JBBDRN Cn1cc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000515532019 1067820252 /nfs/dbraw/zinc/82/02/52/1067820252.db2.gz BTBMRRXJCCVDEZ-UHFFFAOYSA-N 0 0 472.505 -0.860 20 5 JBBDRN O=C(CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000515546043 1067821039 /nfs/dbraw/zinc/82/10/39/1067821039.db2.gz HTDPSBPJXGMEBK-HNNXBMFYSA-N 0 0 485.588 -0.255 20 5 JBBDRN O=C(CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000515546044 1067821104 /nfs/dbraw/zinc/82/11/04/1067821104.db2.gz HTDPSBPJXGMEBK-OAHLLOKOSA-N 0 0 485.588 -0.255 20 5 JBBDRN C[C@@H]1CN(S(=O)(=O)N2CCN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)CC2)C[C@H](C)O1 ZINC000515580202 1067822546 /nfs/dbraw/zinc/82/25/46/1067822546.db2.gz DEPOPJQARDHFQT-BETUJISGSA-N 0 0 463.538 -0.282 20 5 JBBDRN C[C@@H]1CN(S(=O)(=O)N2CCN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)CC2)C[C@@H](C)O1 ZINC000515580203 1067822465 /nfs/dbraw/zinc/82/24/65/1067822465.db2.gz DEPOPJQARDHFQT-CHWSQXEVSA-N 0 0 463.538 -0.282 20 5 JBBDRN C[C@H]1CN(S(=O)(=O)N2CCN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)CC2)C[C@H](C)O1 ZINC000515580204 1067822428 /nfs/dbraw/zinc/82/24/28/1067822428.db2.gz DEPOPJQARDHFQT-STQMWFEESA-N 0 0 463.538 -0.282 20 5 JBBDRN CC(=O)N1CCN(c2ccc(C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)cc2[N+](=O)[O-])CC1 ZINC000515596013 1067822375 /nfs/dbraw/zinc/82/23/75/1067822375.db2.gz XNSQLRRUBVUYAM-UHFFFAOYSA-N 0 0 471.478 -0.766 20 5 JBBDRN CS(=O)(=O)c1ccc(N2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)c([N+](=O)[O-])c1 ZINC000515853071 1067825154 /nfs/dbraw/zinc/82/51/54/1067825154.db2.gz VBFQNRSXLUEGSW-UHFFFAOYSA-N 0 0 460.534 -0.623 20 5 JBBDRN COCCn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000515892886 1067825669 /nfs/dbraw/zinc/82/56/69/1067825669.db2.gz UYHTUJKUQNHJKX-UHFFFAOYSA-N 0 0 466.476 -0.091 20 5 JBBDRN COCCn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000515894338 1067825442 /nfs/dbraw/zinc/82/54/42/1067825442.db2.gz DHDJSMDXTHYTMV-UHFFFAOYSA-N 0 0 466.476 -0.091 20 5 JBBDRN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000515916371 1067826522 /nfs/dbraw/zinc/82/65/22/1067826522.db2.gz BDACDNJZRPNXFK-CYBMUJFWSA-N 0 0 468.536 -0.145 20 5 JBBDRN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000515916372 1067826609 /nfs/dbraw/zinc/82/66/09/1067826609.db2.gz BDACDNJZRPNXFK-ZDUSSCGKSA-N 0 0 468.536 -0.145 20 5 JBBDRN COCCn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)cn1 ZINC000515944281 1067827870 /nfs/dbraw/zinc/82/78/70/1067827870.db2.gz IYFHLLOAWYUGQQ-UHFFFAOYSA-N 0 0 496.502 -0.082 20 5 JBBDRN Cn1c(=O)c2cc(NC(=O)C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cnc2n(C)c1=O ZINC000515963810 1067828778 /nfs/dbraw/zinc/82/87/78/1067828778.db2.gz URSZGZLCKNJEPF-UHFFFAOYSA-N 0 0 467.442 -0.172 20 5 JBBDRN Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000516044423 1067831647 /nfs/dbraw/zinc/83/16/47/1067831647.db2.gz JVWXYFUWBDSOJG-UHFFFAOYSA-N 0 0 454.509 -0.522 20 5 JBBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000516053513 1067833661 /nfs/dbraw/zinc/83/36/61/1067833661.db2.gz GHSVCPMDKFXNJR-UHFFFAOYSA-N 0 0 454.509 -0.522 20 5 JBBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000516054199 1067834037 /nfs/dbraw/zinc/83/40/37/1067834037.db2.gz YQWDFLXKZOVQHA-UHFFFAOYSA-N 0 0 493.445 -0.144 20 5 JBBDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)cc1 ZINC000516070169 1067835085 /nfs/dbraw/zinc/83/50/85/1067835085.db2.gz GRWWLVHIVLOICL-UHFFFAOYSA-N 0 0 452.449 -0.104 20 5 JBBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000516161823 1067836379 /nfs/dbraw/zinc/83/63/79/1067836379.db2.gz MTKSKUVMXRGZGL-UHFFFAOYSA-N 0 0 460.534 -0.533 20 5 JBBDRN Cn1c(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000516162136 1067835682 /nfs/dbraw/zinc/83/56/82/1067835682.db2.gz MJAVRDWSXGLYKH-UHFFFAOYSA-N 0 0 490.498 -0.369 20 5 JBBDRN Cn1c(C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc2c1n(C)c(=O)n(C)c2=O ZINC000516171976 1067836362 /nfs/dbraw/zinc/83/63/62/1067836362.db2.gz AACNXINCBBYETQ-UHFFFAOYSA-N 0 0 478.487 -0.271 20 5 JBBDRN Cn1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000516172379 1067836245 /nfs/dbraw/zinc/83/62/45/1067836245.db2.gz KBNVOBLLDZIICO-UHFFFAOYSA-N 0 0 490.498 -0.369 20 5 JBBDRN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000516257237 1067836852 /nfs/dbraw/zinc/83/68/52/1067836852.db2.gz OYUPKKUGUAVJHD-INIZCTEOSA-N 0 0 455.493 -0.094 20 5 JBBDRN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000516257238 1067836659 /nfs/dbraw/zinc/83/66/59/1067836659.db2.gz OYUPKKUGUAVJHD-MRXNPFEDSA-N 0 0 455.493 -0.094 20 5 JBBDRN CS(=O)(=O)NC[C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000516257444 1067836667 /nfs/dbraw/zinc/83/66/67/1067836667.db2.gz ISSKMLYUGPOVKK-CYBMUJFWSA-N 0 0 463.538 -0.156 20 5 JBBDRN CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000516257447 1067836745 /nfs/dbraw/zinc/83/67/45/1067836745.db2.gz ISSKMLYUGPOVKK-ZDUSSCGKSA-N 0 0 463.538 -0.156 20 5 JBBDRN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000516276471 1067837219 /nfs/dbraw/zinc/83/72/19/1067837219.db2.gz ZVODAYKALLSTAD-AWEZNQCLSA-N 0 0 463.538 -0.014 20 5 JBBDRN CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000516276472 1067837106 /nfs/dbraw/zinc/83/71/06/1067837106.db2.gz ZVODAYKALLSTAD-CQSZACIVSA-N 0 0 463.538 -0.014 20 5 JBBDRN CS(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC000516327583 1067838290 /nfs/dbraw/zinc/83/82/90/1067838290.db2.gz PZDGRKFACWDXDF-UHFFFAOYSA-N 0 0 462.506 -0.667 20 5 JBBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NCC(=O)NCCN2CCOCC2)CC1 ZINC000516329088 1067838104 /nfs/dbraw/zinc/83/81/04/1067838104.db2.gz QGZSOFMQBNLBTM-UHFFFAOYSA-N 0 0 497.574 -0.131 20 5 JBBDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000516366405 1067839569 /nfs/dbraw/zinc/83/95/69/1067839569.db2.gz PSBOQRGVGLGDCI-UHFFFAOYSA-N 0 0 455.493 -0.541 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CCNS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000516372859 1067839339 /nfs/dbraw/zinc/83/93/39/1067839339.db2.gz WQAYBLOVFCGUFY-UHFFFAOYSA-N 0 0 450.495 -0.624 20 5 JBBDRN O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000516417745 1067841664 /nfs/dbraw/zinc/84/16/64/1067841664.db2.gz DVPPAMRASDZBBD-UHFFFAOYSA-N 0 0 454.447 -0.392 20 5 JBBDRN O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000516439038 1067843087 /nfs/dbraw/zinc/84/30/87/1067843087.db2.gz YAXRAVQFHRJSNW-UHFFFAOYSA-N 0 0 487.498 -0.089 20 5 JBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000516493863 1067845906 /nfs/dbraw/zinc/84/59/06/1067845906.db2.gz WCZGFVDIBBYLKC-UHFFFAOYSA-N 0 0 485.866 -0.296 20 5 JBBDRN O=C(Cn1cnnn1)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000516611841 1067846882 /nfs/dbraw/zinc/84/68/82/1067846882.db2.gz GDIHGYBPUNZKPU-HNNXBMFYSA-N 0 0 492.518 -0.647 20 5 JBBDRN O=C(Cn1cnnn1)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000516611842 1067847554 /nfs/dbraw/zinc/84/75/54/1067847554.db2.gz GDIHGYBPUNZKPU-OAHLLOKOSA-N 0 0 492.518 -0.647 20 5 JBBDRN CCN(CCCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000516702970 1067848099 /nfs/dbraw/zinc/84/80/99/1067848099.db2.gz XENPZNIEFYNSCV-UHFFFAOYSA-N 0 0 451.527 -0.156 20 5 JBBDRN O=C(NCCCn1nc2n(c1=O)CCCC2)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000516703714 1067848189 /nfs/dbraw/zinc/84/81/89/1067848189.db2.gz UIWFJELUYICYML-UHFFFAOYSA-N 0 0 467.508 -0.043 20 5 JBBDRN CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000516766093 1067849496 /nfs/dbraw/zinc/84/94/96/1067849496.db2.gz WVHJLOFUHGSGHR-UHFFFAOYSA-N 0 0 451.502 -0.468 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000516801133 1067850679 /nfs/dbraw/zinc/85/06/79/1067850679.db2.gz ZLTCNSQVIUHLRY-LLVKDONJSA-N 0 0 450.495 -0.626 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000516801134 1067850730 /nfs/dbraw/zinc/85/07/30/1067850730.db2.gz ZLTCNSQVIUHLRY-NSHDSACASA-N 0 0 450.495 -0.626 20 5 JBBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCN1CCN(c2ncccn2)CC1 ZINC000516815360 1067851128 /nfs/dbraw/zinc/85/11/28/1067851128.db2.gz ZTZNFSWYJGCTCQ-UHFFFAOYSA-N 0 0 463.520 -0.008 20 5 JBBDRN Cn1c(=O)c2cc(NC(=O)C(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cnc2n(C)c1=O ZINC000517135165 1067854207 /nfs/dbraw/zinc/85/42/07/1067854207.db2.gz XHUOUJBIEVHJMN-UHFFFAOYSA-N 0 0 468.430 -0.777 20 5 JBBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000517189177 1067856619 /nfs/dbraw/zinc/85/66/19/1067856619.db2.gz QBTXFIPSGDBNHX-UHFFFAOYSA-N 0 0 470.508 -0.822 20 5 JBBDRN O=C(NCCCN1C(=O)CNC1=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000517489195 1067707840 /nfs/dbraw/zinc/70/78/40/1067707840.db2.gz FVUYUUQOOUYZJG-UHFFFAOYSA-N 0 0 454.465 -0.447 20 5 JBBDRN O=C1C[C@H](N2CCN(S(=O)(=O)N3CCOCC3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000517507515 1067861556 /nfs/dbraw/zinc/86/15/56/1067861556.db2.gz IRDQTFVJCWEYSF-INIZCTEOSA-N 0 0 453.477 -0.579 20 5 JBBDRN O=C1C[C@@H](N2CCN(S(=O)(=O)N3CCOCC3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000517507520 1067707885 /nfs/dbraw/zinc/70/78/85/1067707885.db2.gz IRDQTFVJCWEYSF-MRXNPFEDSA-N 0 0 453.477 -0.579 20 5 JBBDRN O=C(NCCN1CCS(=O)(=O)CC1)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000517609132 1067862001 /nfs/dbraw/zinc/86/20/01/1067862001.db2.gz BGXQRCIBYOJYIM-HNNXBMFYSA-N 0 0 474.561 -0.158 20 5 JBBDRN O=C(NCCN1CCS(=O)(=O)CC1)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000517609133 1067862118 /nfs/dbraw/zinc/86/21/18/1067862118.db2.gz BGXQRCIBYOJYIM-OAHLLOKOSA-N 0 0 474.561 -0.158 20 5 JBBDRN Cc1cc(=O)c(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000517725218 1067862104 /nfs/dbraw/zinc/86/21/04/1067862104.db2.gz INJJPRAIURIVKT-CYBMUJFWSA-N 0 0 463.472 -0.128 20 5 JBBDRN Cc1cc(=O)c(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000517725219 1067862013 /nfs/dbraw/zinc/86/20/13/1067862013.db2.gz INJJPRAIURIVKT-ZDUSSCGKSA-N 0 0 463.472 -0.128 20 5 JBBDRN O=C(C(=O)N1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000517776722 1067863096 /nfs/dbraw/zinc/86/30/96/1067863096.db2.gz WSGFOSCDXKYKNH-UHFFFAOYSA-N 0 0 482.519 -0.651 20 5 JBBDRN CCS(=O)(=O)NC1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000517776890 1067863343 /nfs/dbraw/zinc/86/33/43/1067863343.db2.gz QYIIOCXLNOAMFH-UHFFFAOYSA-N 0 0 463.538 -0.014 20 5 JBBDRN Cn1c(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc2c1n(C)c(=O)n(C)c2=O ZINC000517779051 1067863118 /nfs/dbraw/zinc/86/31/18/1067863118.db2.gz AVKFFZOYULMSBC-UHFFFAOYSA-N 0 0 464.460 -0.808 20 5 JBBDRN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000517792274 1067863181 /nfs/dbraw/zinc/86/31/81/1067863181.db2.gz TUFHCKWKOWYZLL-CYBMUJFWSA-N 0 0 464.522 -0.017 20 5 JBBDRN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000517792275 1067863070 /nfs/dbraw/zinc/86/30/70/1067863070.db2.gz TUFHCKWKOWYZLL-ZDUSSCGKSA-N 0 0 464.522 -0.017 20 5 JBBDRN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000517815163 1067863839 /nfs/dbraw/zinc/86/38/39/1067863839.db2.gz LTTQNQXXFQTQGH-HNNXBMFYSA-N 0 0 469.520 -0.830 20 5 JBBDRN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000517815169 1067863817 /nfs/dbraw/zinc/86/38/17/1067863817.db2.gz LTTQNQXXFQTQGH-OAHLLOKOSA-N 0 0 469.520 -0.830 20 5 JBBDRN CN(C)C(=O)Cn1cc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000517886433 1067866367 /nfs/dbraw/zinc/86/63/67/1067866367.db2.gz CLCRTCFMZLBWNJ-UHFFFAOYSA-N 0 0 451.465 -0.579 20 5 JBBDRN CN(C)C(=O)Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000517888613 1067866415 /nfs/dbraw/zinc/86/64/15/1067866415.db2.gz GKKMZRCBSSEUII-UHFFFAOYSA-N 0 0 451.465 -0.579 20 5 JBBDRN CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000518086608 1067869973 /nfs/dbraw/zinc/86/99/73/1067869973.db2.gz XXGWQUOEUJYBMS-UHFFFAOYSA-N 0 0 496.546 -0.309 20 5 JBBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000518139653 1067872813 /nfs/dbraw/zinc/87/28/13/1067872813.db2.gz VCAWUUNIYJBNPT-UHFFFAOYSA-N 0 0 457.465 -0.737 20 5 JBBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000518142688 1067873898 /nfs/dbraw/zinc/87/38/98/1067873898.db2.gz PMDPUGNIFMSUCQ-UHFFFAOYSA-N 0 0 461.884 -0.092 20 5 JBBDRN Cn1c(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000518397262 1067876867 /nfs/dbraw/zinc/87/68/67/1067876867.db2.gz YFURDYBQDHYDNK-UHFFFAOYSA-N 0 0 490.498 -0.369 20 5 JBBDRN CCS(=O)(=O)N(C)CCCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000518476936 1067878253 /nfs/dbraw/zinc/87/82/53/1067878253.db2.gz FRCJJTBPBFHITG-UHFFFAOYSA-N 0 0 451.527 -0.156 20 5 JBBDRN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCN1CCN(c2ncccn2)CC1 ZINC000518479287 1067877835 /nfs/dbraw/zinc/87/78/35/1067877835.db2.gz YSABBZZXMNOZOM-UHFFFAOYSA-N 0 0 478.535 -0.216 20 5 JBBDRN O=C(CN1CCOCC1)N1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000518483191 1067878021 /nfs/dbraw/zinc/87/80/21/1067878021.db2.gz CYVWPIQITLHDIE-UHFFFAOYSA-N 0 0 484.535 -0.941 20 5 JBBDRN CC(C)NC(=O)CN1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000518485932 1067878242 /nfs/dbraw/zinc/87/82/42/1067878242.db2.gz JSLXTGNFCZJQKH-UHFFFAOYSA-N 0 0 456.525 -0.275 20 5 JBBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000518698203 1067881688 /nfs/dbraw/zinc/88/16/88/1067881688.db2.gz CWZUYLIXSVGPKG-UHFFFAOYSA-N 0 0 453.477 -0.787 20 5 JBBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000518743289 1067882565 /nfs/dbraw/zinc/88/25/65/1067882565.db2.gz VUFKQTCCUCIUGW-UHFFFAOYSA-N 0 0 450.433 -0.345 20 5 JBBDRN O=C(Cn1c(=O)onc1-c1ncccn1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000518969103 1067883883 /nfs/dbraw/zinc/88/38/83/1067883883.db2.gz YQEKIEICDJHQCI-UHFFFAOYSA-N 0 0 475.443 -0.265 20 5 JBBDRN O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000519146745 1067885760 /nfs/dbraw/zinc/88/57/60/1067885760.db2.gz SIPMYFCQWXQAAO-UHFFFAOYSA-N 0 0 476.265 -0.286 20 5 JBBDRN COC(=O)C1CCN(S(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000519153791 1067885228 /nfs/dbraw/zinc/88/52/28/1067885228.db2.gz ZLDPEZQMVYAVSA-UHFFFAOYSA-N 0 0 450.495 -0.408 20 5 JBBDRN O=C(NCCCn1nc2n(c1=O)CCCC2)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000519198159 1067886335 /nfs/dbraw/zinc/88/63/35/1067886335.db2.gz RDHCROGWFIBYCB-UHFFFAOYSA-N 0 0 467.508 -0.043 20 5 JBBDRN CS(=O)(=O)c1ccc(N2CCN(C(=O)NCCN3CCCS3(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000519931688 1067939668 /nfs/dbraw/zinc/93/96/68/1067939668.db2.gz KCHUMDVSBLXKBV-UHFFFAOYSA-N 0 0 475.549 -0.135 20 5 JBBDRN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000520025789 1067899314 /nfs/dbraw/zinc/89/93/14/1067899314.db2.gz MOYJLXXBKBDRQX-CYBMUJFWSA-N 0 0 464.522 -0.017 20 5 JBBDRN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000520025790 1067947410 /nfs/dbraw/zinc/94/74/10/1067947410.db2.gz MOYJLXXBKBDRQX-ZDUSSCGKSA-N 0 0 464.522 -0.017 20 5 JBBDRN O=C(CN1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000520058289 1067947389 /nfs/dbraw/zinc/94/73/89/1067947389.db2.gz YJUCSGUPUVCOFF-UHFFFAOYSA-N 0 0 468.536 -0.177 20 5 JBBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000520073778 1067899532 /nfs/dbraw/zinc/89/95/32/1067899532.db2.gz PLMIRZXBQOUUQF-UHFFFAOYSA-N 0 0 461.566 -0.044 20 5 JBBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000520187887 1067947425 /nfs/dbraw/zinc/94/74/25/1067947425.db2.gz KSIOXNNAEIZZKX-UHFFFAOYSA-N 0 0 450.433 -0.345 20 5 JBBDRN CC(C)NS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000520210817 1067947488 /nfs/dbraw/zinc/94/74/88/1067947488.db2.gz OLOFTEPRLOOMQX-UHFFFAOYSA-N 0 0 463.538 -0.062 20 5 JBBDRN Cc1cc(=O)c(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000520500919 1067904127 /nfs/dbraw/zinc/90/41/27/1067904127.db2.gz LJUDGRTZEXEZPG-CYBMUJFWSA-N 0 0 463.472 -0.176 20 5 JBBDRN Cc1cc(=O)c(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000520500920 1067904024 /nfs/dbraw/zinc/90/40/24/1067904024.db2.gz LJUDGRTZEXEZPG-ZDUSSCGKSA-N 0 0 463.472 -0.176 20 5 JBBDRN CN(CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cccnc1 ZINC000520662784 1067906072 /nfs/dbraw/zinc/90/60/72/1067906072.db2.gz FHWKCGUCTICYOF-UHFFFAOYSA-N 0 0 457.490 -0.295 20 5 JBBDRN Cn1c(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc2c1n(C)c(=O)n(C)c2=O ZINC000520723237 1067906830 /nfs/dbraw/zinc/90/68/30/1067906830.db2.gz LMHCTUCMFRXYEE-UHFFFAOYSA-N 0 0 464.460 -0.808 20 5 JBBDRN CCOC(=O)C1CCN(S(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000520728643 1067906946 /nfs/dbraw/zinc/90/69/46/1067906946.db2.gz LNPAMHNDJHJACR-UHFFFAOYSA-N 0 0 464.522 -0.017 20 5 JBBDRN CCS(=O)(=O)N(C)CCCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000520753750 1067906965 /nfs/dbraw/zinc/90/69/65/1067906965.db2.gz HGVDZFNUKMOJTH-UHFFFAOYSA-N 0 0 451.527 -0.156 20 5 JBBDRN CCN(CCCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000520766734 1067907496 /nfs/dbraw/zinc/90/74/96/1067907496.db2.gz ATKQJMQNGAPBEJ-UHFFFAOYSA-N 0 0 451.527 -0.156 20 5 JBBDRN CC(C)NC(=O)CN1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000520840357 1067912934 /nfs/dbraw/zinc/91/29/34/1067912934.db2.gz LKEMACPUAWUNNT-UHFFFAOYSA-N 0 0 456.525 -0.275 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn(CC(=O)N(C)C)nn3)CC2)cc1[N+](=O)[O-] ZINC000520896111 1067914187 /nfs/dbraw/zinc/91/41/87/1067914187.db2.gz IPFNWYSRLVMACB-UHFFFAOYSA-N 0 0 481.491 -0.570 20 5 JBBDRN O=C([C@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000521176202 1067917800 /nfs/dbraw/zinc/91/78/00/1067917800.db2.gz VQJPLPSGXQMVTK-KRWDZBQOSA-N 0 0 495.558 -0.392 20 5 JBBDRN O=C([C@@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000521176203 1067917909 /nfs/dbraw/zinc/91/79/09/1067917909.db2.gz VQJPLPSGXQMVTK-QGZVFWFLSA-N 0 0 495.558 -0.392 20 5 JBBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000521316092 1067919159 /nfs/dbraw/zinc/91/91/59/1067919159.db2.gz CEYNXDAVYRBMMU-UHFFFAOYSA-N 0 0 477.455 -0.380 20 5 JBBDRN O=C(Cn1c(=O)onc1-c1ncccn1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000521336825 1067919559 /nfs/dbraw/zinc/91/95/59/1067919559.db2.gz CNCVRLISZDQIFT-UHFFFAOYSA-N 0 0 475.443 -0.265 20 5 JBBDRN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCN1CCN(c2ncccn2)CC1 ZINC000521406180 1067919946 /nfs/dbraw/zinc/91/99/46/1067919946.db2.gz RXPZLLMMMCGMAQ-UHFFFAOYSA-N 0 0 478.535 -0.216 20 5 JBBDRN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000521456373 1067921112 /nfs/dbraw/zinc/92/11/12/1067921112.db2.gz DCSLHPAYOFQLDB-KRWDZBQOSA-N 0 0 460.491 -0.270 20 5 JBBDRN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000521456374 1067921086 /nfs/dbraw/zinc/92/10/86/1067921086.db2.gz DCSLHPAYOFQLDB-QGZVFWFLSA-N 0 0 460.491 -0.270 20 5 JBBDRN CCS(=O)(=O)NC1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000521474472 1067921411 /nfs/dbraw/zinc/92/14/11/1067921411.db2.gz HDPHAHUTVZOCBF-UHFFFAOYSA-N 0 0 463.538 -0.014 20 5 JBBDRN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000521474637 1067921469 /nfs/dbraw/zinc/92/14/69/1067921469.db2.gz RPIBIZPAAKBLMV-INIZCTEOSA-N 0 0 455.493 -0.094 20 5 JBBDRN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000521474638 1067921338 /nfs/dbraw/zinc/92/13/38/1067921338.db2.gz RPIBIZPAAKBLMV-MRXNPFEDSA-N 0 0 455.493 -0.094 20 5 JBBDRN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000521475619 1067921345 /nfs/dbraw/zinc/92/13/45/1067921345.db2.gz LJMWXEIXLWDDDH-AWEZNQCLSA-N 0 0 463.538 -0.014 20 5 JBBDRN CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000521475620 1067921420 /nfs/dbraw/zinc/92/14/20/1067921420.db2.gz LJMWXEIXLWDDDH-CQSZACIVSA-N 0 0 463.538 -0.014 20 5 JBBDRN O=C(C(=O)N1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000521475728 1067921378 /nfs/dbraw/zinc/92/13/78/1067921378.db2.gz PWAWDHQVXHZGIP-UHFFFAOYSA-N 0 0 482.519 -0.651 20 5 JBBDRN O=C(NCCCN1C(=O)CNC1=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000521723165 1067923348 /nfs/dbraw/zinc/92/33/48/1067923348.db2.gz NFUDPPJAOHPNQY-UHFFFAOYSA-N 0 0 454.465 -0.447 20 5 JBBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000521748912 1067923741 /nfs/dbraw/zinc/92/37/41/1067923741.db2.gz ICQMQGRRTHHYFN-UHFFFAOYSA-N 0 0 469.520 -0.734 20 5 JBBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NCCCN2C(=O)CNC2=O)CC1 ZINC000521766005 1067923759 /nfs/dbraw/zinc/92/37/59/1067923759.db2.gz VFPUYBBRNDAFPO-UHFFFAOYSA-N 0 0 468.492 -0.139 20 5 JBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000521788700 1067924603 /nfs/dbraw/zinc/92/46/03/1067924603.db2.gz KHLWOWLUGJAAMF-UHFFFAOYSA-N 0 0 451.421 -0.950 20 5 JBBDRN O=C([C@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000521795221 1067924130 /nfs/dbraw/zinc/92/41/30/1067924130.db2.gz VRJCDZLSNXRQBV-KRWDZBQOSA-N 0 0 495.558 -0.392 20 5 JBBDRN O=C([C@@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000521795222 1067924166 /nfs/dbraw/zinc/92/41/66/1067924166.db2.gz VRJCDZLSNXRQBV-QGZVFWFLSA-N 0 0 495.558 -0.392 20 5 JBBDRN CC(C)NS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000521907586 1067925039 /nfs/dbraw/zinc/92/50/39/1067925039.db2.gz TZZIOXCNBOQRAM-UHFFFAOYSA-N 0 0 463.538 -0.062 20 5 JBBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000522189517 1067925394 /nfs/dbraw/zinc/92/53/94/1067925394.db2.gz CNGIBTAKXJCPRC-UHFFFAOYSA-N 0 0 467.504 -0.444 20 5 JBBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000522189749 1067925326 /nfs/dbraw/zinc/92/53/26/1067925326.db2.gz WZFJIBRLJLYMHJ-UHFFFAOYSA-N 0 0 481.487 -0.917 20 5 JBBDRN CS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc([N+](=O)[O-])c1 ZINC000522190727 1067925410 /nfs/dbraw/zinc/92/54/10/1067925410.db2.gz CYOBYCXSLQLXKS-UHFFFAOYSA-N 0 0 452.445 -0.568 20 5 JBBDRN CN(C1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)S(C)(=O)=O ZINC000522410892 1067926287 /nfs/dbraw/zinc/92/62/87/1067926287.db2.gz QWWAKMABKOHMLW-UHFFFAOYSA-N 0 0 463.538 -0.062 20 5 JBBDRN O=C(NCCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)c1cnccn1 ZINC000522611060 1067929514 /nfs/dbraw/zinc/92/95/14/1067929514.db2.gz CHTJXRLVKVYACL-UHFFFAOYSA-N 0 0 463.476 -0.169 20 5 JBBDRN O=C(NCCNc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-])c1cnccn1 ZINC000522623369 1067929663 /nfs/dbraw/zinc/92/96/63/1067929663.db2.gz IGVCAOMPUWZVFH-UHFFFAOYSA-N 0 0 479.519 -0.163 20 5 JBBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCN1CCN(c2ncccn2)CC1 ZINC000522857001 1067930376 /nfs/dbraw/zinc/93/03/76/1067930376.db2.gz UNLAWKUBVOYAJZ-UHFFFAOYSA-N 0 0 463.520 -0.008 20 5 JBBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000522893963 1067930370 /nfs/dbraw/zinc/93/03/70/1067930370.db2.gz ZIYLHKOGQUMFGX-UHFFFAOYSA-N 0 0 469.520 -0.734 20 5 JBBDRN CN(C1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)S(C)(=O)=O ZINC000523189924 1067934712 /nfs/dbraw/zinc/93/47/12/1067934712.db2.gz VLIUDCZJYGWDIR-UHFFFAOYSA-N 0 0 463.538 -0.062 20 5 JBBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000523269170 1067935953 /nfs/dbraw/zinc/93/59/53/1067935953.db2.gz LUFJRXPXSGHTAI-UHFFFAOYSA-N 0 0 491.530 -0.092 20 5 JBBDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000523271332 1067935979 /nfs/dbraw/zinc/93/59/79/1067935979.db2.gz QQCXQZFBNGZBFM-UHFFFAOYSA-N 0 0 467.442 -0.164 20 5 JBBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)ccc1[N+](=O)[O-] ZINC000523289520 1067935940 /nfs/dbraw/zinc/93/59/40/1067935940.db2.gz RTNAASQAXVHKCS-KRWDZBQOSA-N 0 0 456.463 -0.135 20 5 JBBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)ccc1[N+](=O)[O-] ZINC000523289521 1067935977 /nfs/dbraw/zinc/93/59/77/1067935977.db2.gz RTNAASQAXVHKCS-QGZVFWFLSA-N 0 0 456.463 -0.135 20 5 JBBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000523360035 1067936753 /nfs/dbraw/zinc/93/67/53/1067936753.db2.gz XPDBFGDZBRYDFL-UHFFFAOYSA-N 0 0 469.520 -0.734 20 5 JBBDRN O=C(Cn1c(=O)onc1-c1cnccn1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000523864852 1067937864 /nfs/dbraw/zinc/93/78/64/1067937864.db2.gz FWXYVYKUKAZDFL-UHFFFAOYSA-N 0 0 475.443 -0.265 20 5 JBBDRN O=C(Cn1cnnn1)N1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000524051261 1067939191 /nfs/dbraw/zinc/93/91/91/1067939191.db2.gz ORTIRYMJKJYZRK-KRWDZBQOSA-N 0 0 492.518 -0.505 20 5 JBBDRN O=C(Cn1cnnn1)N1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000524051262 1067939184 /nfs/dbraw/zinc/93/91/84/1067939184.db2.gz ORTIRYMJKJYZRK-QGZVFWFLSA-N 0 0 492.518 -0.505 20 5 JBBDRN O=C(CN1C(=O)NC2(CCOCC2)C1=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000524105923 1067939580 /nfs/dbraw/zinc/93/95/80/1067939580.db2.gz SKJHEEHPMXZHTN-UHFFFAOYSA-N 0 0 481.487 -0.471 20 5 JBBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000524144981 1067939677 /nfs/dbraw/zinc/93/96/77/1067939677.db2.gz AHBWIZMFNIPDGD-HNNXBMFYSA-N 0 0 460.534 -0.406 20 5 JBBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000524144982 1067939624 /nfs/dbraw/zinc/93/96/24/1067939624.db2.gz AHBWIZMFNIPDGD-OAHLLOKOSA-N 0 0 460.534 -0.406 20 5 JBBDRN COc1ccc(C(=O)NCC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-] ZINC000524195408 1067940027 /nfs/dbraw/zinc/94/00/27/1067940027.db2.gz QNKIXIWTFRBUIR-UHFFFAOYSA-N 0 0 471.474 -0.022 20 5 JBBDRN O=C(CN1C(=O)NC2(CCOCC2)C1=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000524330275 1067942580 /nfs/dbraw/zinc/94/25/80/1067942580.db2.gz DMQQWAZXRPVZLW-UHFFFAOYSA-N 0 0 481.487 -0.471 20 5 JBBDRN CN1CCN(S(=O)(=O)c2ccc(NCCN3CCS(=O)(=O)CC3)c([N+](=O)[O-])c2)CC1 ZINC000524495035 1067943669 /nfs/dbraw/zinc/94/36/69/1067943669.db2.gz XJYIBYZPXBUNAX-UHFFFAOYSA-N 0 0 461.566 -0.327 20 5 JBBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000524617050 1067944967 /nfs/dbraw/zinc/94/49/67/1067944967.db2.gz OVMAJHXCIRAICX-UHFFFAOYSA-N 0 0 464.460 -0.036 20 5 JBBDRN O=C(c1ccc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000552192257 1067967292 /nfs/dbraw/zinc/96/72/92/1067967292.db2.gz LIFZQYALOZJFLW-UHFFFAOYSA-N 0 0 469.520 -0.234 20 5 JBBDRN CS(=O)(=O)N1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000552794558 1067968600 /nfs/dbraw/zinc/96/86/00/1067968600.db2.gz JEYASHZVVQAXJF-UHFFFAOYSA-N 0 0 489.576 -0.605 20 5 JBBDRN C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)CC2)C[C@H](C)O1 ZINC000555852980 1068419560 /nfs/dbraw/zinc/41/95/60/1068419560.db2.gz GMKFQOYBDOXPLG-BETUJISGSA-N 0 0 463.538 -0.282 20 5 JBBDRN C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)CC2)C[C@@H](C)O1 ZINC000555852990 1067978452 /nfs/dbraw/zinc/97/84/52/1067978452.db2.gz GMKFQOYBDOXPLG-CHWSQXEVSA-N 0 0 463.538 -0.282 20 5 JBBDRN C[C@H]1CN(S(=O)(=O)N2CCN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)CC2)C[C@H](C)O1 ZINC000555852992 1067978438 /nfs/dbraw/zinc/97/84/38/1067978438.db2.gz GMKFQOYBDOXPLG-STQMWFEESA-N 0 0 463.538 -0.282 20 5 JBBDRN Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000557319258 1069034322 /nfs/dbraw/zinc/03/43/22/1069034322.db2.gz YTXZATLQYHDGBC-UHFFFAOYSA-N 0 0 490.502 -0.587 20 5 JBBDRN COC(=O)CNC(=O)[C@@H]1CCCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000559637416 1069039571 /nfs/dbraw/zinc/03/95/71/1069039571.db2.gz CIJGTGZYKQRWTQ-HNNXBMFYSA-N 0 0 456.477 -0.126 20 5 JBBDRN COC(=O)CNC(=O)[C@H]1CCCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000559637421 1069039465 /nfs/dbraw/zinc/03/94/65/1069039465.db2.gz CIJGTGZYKQRWTQ-OAHLLOKOSA-N 0 0 456.477 -0.126 20 5 JBBDRN CNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)CC1 ZINC000560344234 1069040797 /nfs/dbraw/zinc/04/07/97/1069040797.db2.gz JVRYJGROVMQWPM-UHFFFAOYSA-N 0 0 456.525 -0.416 20 5 JBBDRN CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)N3CCS(=O)(=O)CC3)cc2[N+](=O)[O-])CC1 ZINC000560613947 1069040405 /nfs/dbraw/zinc/04/04/05/1069040405.db2.gz VDGOHODRLPRXRO-AWEZNQCLSA-N 0 0 481.531 -0.361 20 5 JBBDRN CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C)C(=O)N3CCS(=O)(=O)CC3)cc2[N+](=O)[O-])CC1 ZINC000560613948 1069040814 /nfs/dbraw/zinc/04/08/14/1069040814.db2.gz VDGOHODRLPRXRO-CQSZACIVSA-N 0 0 481.531 -0.361 20 5 JBBDRN COc1cc(OCC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000561113125 1067659105 /nfs/dbraw/zinc/65/91/05/1067659105.db2.gz NFOROYUBUCAKQQ-UHFFFAOYSA-N 0 0 457.509 -0.381 20 5 JBBDRN COC(=O)CNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000561523081 1067664632 /nfs/dbraw/zinc/66/46/32/1067664632.db2.gz UDEDLJQODSZNCF-UHFFFAOYSA-N 0 0 456.477 -0.291 20 5 JBBDRN CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000561570449 1069042057 /nfs/dbraw/zinc/04/20/57/1069042057.db2.gz CQLMTJFSOOEZAA-UHFFFAOYSA-N 0 0 463.538 -0.203 20 5 JBBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)CS(=O)(=O)NC)CC2)c([N+](=O)[O-])c1 ZINC000582172332 1067698051 /nfs/dbraw/zinc/69/80/51/1067698051.db2.gz GUKOVPZWZZRLJL-UHFFFAOYSA-N 0 0 477.565 -0.177 20 5 JBBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000583157982 1067681484 /nfs/dbraw/zinc/68/14/84/1067681484.db2.gz GOFFCNVPNVNGGR-UHFFFAOYSA-N 0 0 456.525 -0.077 20 5 JBBDRN NC(=O)c1ccc(SCC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000590695735 1068025972 /nfs/dbraw/zinc/02/59/72/1068025972.db2.gz MQLDPBWRENMPDL-UHFFFAOYSA-N 0 0 451.505 -0.211 20 5 JBBDRN CC(=O)N1CCN(c2ccc(C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)cc2[N+](=O)[O-])CC1 ZINC000590697168 1068025999 /nfs/dbraw/zinc/02/59/99/1068025999.db2.gz LGYPRVXMVCWEPG-UHFFFAOYSA-N 0 0 488.545 -0.120 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000591713134 1068033970 /nfs/dbraw/zinc/03/39/70/1068033970.db2.gz LRKLYQAKWLLCCD-UHFFFAOYSA-N 0 0 450.495 -0.513 20 5 JBBDRN Cc1c(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000591717398 1068034043 /nfs/dbraw/zinc/03/40/43/1068034043.db2.gz NTOFQAKRCGQQTR-UHFFFAOYSA-N 0 0 457.447 -0.373 20 5 JBBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)Cn3cnnn3)CC2)c([N+](=O)[O-])c1 ZINC000600814391 1069049602 /nfs/dbraw/zinc/04/96/02/1069049602.db2.gz KTYGVQDGGBRNKD-UHFFFAOYSA-N 0 0 452.497 -0.039 20 5 JBBDRN NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1=O ZINC000600864685 1069049638 /nfs/dbraw/zinc/04/96/38/1069049638.db2.gz SOGCSUYCOIPPSG-UHFFFAOYSA-N 0 0 467.435 -0.472 20 5 JBBDRN NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1=O ZINC000600865035 1069049653 /nfs/dbraw/zinc/04/96/53/1069049653.db2.gz ZEEBFDMLURIUFV-UHFFFAOYSA-N 0 0 467.435 -0.472 20 5 JBBDRN COC(=O)CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000602150409 1068045172 /nfs/dbraw/zinc/04/51/72/1068045172.db2.gz IYIGHRKMGPVWJX-UHFFFAOYSA-N 0 0 469.520 -0.782 20 5 JBBDRN COC(=O)CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000602151898 1068045116 /nfs/dbraw/zinc/04/51/16/1068045116.db2.gz QYABAOBMLRGROQ-UHFFFAOYSA-N 0 0 469.520 -0.782 20 5 JBBDRN O=C(CCNc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-])N1CCOCC1 ZINC000603438506 1068046309 /nfs/dbraw/zinc/04/63/09/1068046309.db2.gz YLHVMYIOPQFTQD-UHFFFAOYSA-N 0 0 471.536 -0.134 20 5 JBBDRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000603470014 1068046679 /nfs/dbraw/zinc/04/66/79/1068046679.db2.gz DATUFDCHZQVLDF-LLVKDONJSA-N 0 0 452.445 -0.657 20 5 JBBDRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000603470015 1068046807 /nfs/dbraw/zinc/04/68/07/1068046807.db2.gz DATUFDCHZQVLDF-NSHDSACASA-N 0 0 452.445 -0.657 20 5 JBBDRN O=C(CN1C(=O)CCC1=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000603476909 1068047321 /nfs/dbraw/zinc/04/73/21/1068047321.db2.gz AKSSHVYMRWHBMO-UHFFFAOYSA-N 0 0 495.514 -0.587 20 5 JBBDRN NC(=O)c1ccc(SCC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000603489970 1068047135 /nfs/dbraw/zinc/04/71/35/1068047135.db2.gz PIBUQGBFNROCME-UHFFFAOYSA-N 0 0 473.533 -0.493 20 5 JBBDRN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000603489976 1068047298 /nfs/dbraw/zinc/04/72/98/1068047298.db2.gz REHOQMDNTHAWDI-UHFFFAOYSA-N 0 0 469.476 -0.959 20 5 JBBDRN Cn1c(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc2n(C)c1=O ZINC000603507436 1068047597 /nfs/dbraw/zinc/04/75/97/1068047597.db2.gz AKAOXMLYZAHWCC-UHFFFAOYSA-N 0 0 488.482 -0.313 20 5 JBBDRN CC(=O)N1CCN(c2ccc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)cc2[N+](=O)[O-])CC1 ZINC000603521767 1068047741 /nfs/dbraw/zinc/04/77/41/1068047741.db2.gz AIDHEYXTANQSFB-UHFFFAOYSA-N 0 0 468.536 -0.173 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)NCCNS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000603551644 1068048045 /nfs/dbraw/zinc/04/80/45/1068048045.db2.gz RCIGPEIRYLJGOM-UHFFFAOYSA-N 0 0 465.510 -0.832 20 5 JBBDRN CN(C)S(=O)(=O)N1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC1 ZINC000603552397 1068047487 /nfs/dbraw/zinc/04/74/87/1068047487.db2.gz BXDBDZQFGZLBQF-UHFFFAOYSA-N 0 0 476.581 -0.541 20 5 JBBDRN O=C1CNC(=O)N1CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000603553062 1068048277 /nfs/dbraw/zinc/04/82/77/1068048277.db2.gz QNEJWCUJOKVHSP-UHFFFAOYSA-N 0 0 482.519 -0.711 20 5 JBBDRN NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000603575621 1068048562 /nfs/dbraw/zinc/04/85/62/1068048562.db2.gz MJYJDMVVRSZIPN-UHFFFAOYSA-N 0 0 462.444 -0.106 20 5 JBBDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)C[C@H](C)O1 ZINC000603576461 1068048762 /nfs/dbraw/zinc/04/87/62/1068048762.db2.gz HSCKXFIWHHUYNP-KBPBESRZSA-N 0 0 495.514 -0.311 20 5 JBBDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)C[C@H](C)O1 ZINC000603576462 1068048689 /nfs/dbraw/zinc/04/86/89/1068048689.db2.gz HSCKXFIWHHUYNP-OKILXGFUSA-N 0 0 495.514 -0.311 20 5 JBBDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)C[C@@H](C)O1 ZINC000603576463 1068048417 /nfs/dbraw/zinc/04/84/17/1068048417.db2.gz HSCKXFIWHHUYNP-ZIAGYGMSSA-N 0 0 495.514 -0.311 20 5 JBBDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)CC2)CC1 ZINC000603577089 1068048625 /nfs/dbraw/zinc/04/86/25/1068048625.db2.gz NGDMTXKMFWMOKH-UHFFFAOYSA-N 0 0 464.508 -0.575 20 5 JBBDRN CN1CCN(S(=O)(=O)N2CCN(c3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)CC1 ZINC000603596534 1068048605 /nfs/dbraw/zinc/04/86/05/1068048605.db2.gz YUGRSHHJBKZGRF-UHFFFAOYSA-N 0 0 482.563 -0.319 20 5 JBBDRN Cn1cc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000603601795 1068049133 /nfs/dbraw/zinc/04/91/33/1068049133.db2.gz IINQNNFGGSIVKI-UHFFFAOYSA-N 0 0 472.505 -0.860 20 5 JBBDRN Cn1c(=O)ccn(CC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)c1=O ZINC000603606849 1068048980 /nfs/dbraw/zinc/04/89/80/1068048980.db2.gz SGKXWMNGTOSCCF-UHFFFAOYSA-N 0 0 451.461 -0.793 20 5 JBBDRN CS(=O)(=O)N1CCCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000603627603 1068049152 /nfs/dbraw/zinc/04/91/52/1068049152.db2.gz CHQNLAUPPGJRKQ-UHFFFAOYSA-N 0 0 491.592 -0.323 20 5 JBBDRN CN(CCCNc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000603628443 1068049515 /nfs/dbraw/zinc/04/95/15/1068049515.db2.gz NCFDNOIIFYMJJP-UHFFFAOYSA-N 0 0 479.581 -0.101 20 5 JBBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000603642067 1068049410 /nfs/dbraw/zinc/04/94/10/1068049410.db2.gz DBPXDHKPLDXZOD-CHWSQXEVSA-N 0 0 470.529 -0.024 20 5 JBBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000603642068 1068049661 /nfs/dbraw/zinc/04/96/61/1068049661.db2.gz DBPXDHKPLDXZOD-OLZOCXBDSA-N 0 0 470.529 -0.024 20 5 JBBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000603642069 1068049457 /nfs/dbraw/zinc/04/94/57/1068049457.db2.gz DBPXDHKPLDXZOD-QWHCGFSZSA-N 0 0 470.529 -0.024 20 5 JBBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000603642070 1068049424 /nfs/dbraw/zinc/04/94/24/1068049424.db2.gz DBPXDHKPLDXZOD-STQMWFEESA-N 0 0 470.529 -0.024 20 5 JBBDRN CCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C(=O)C1=O ZINC000603659906 1068049915 /nfs/dbraw/zinc/04/99/15/1068049915.db2.gz UJBCHVWPQZVLAF-UHFFFAOYSA-N 0 0 453.477 -0.882 20 5 JBBDRN CN(C)C(=O)CN1CCN(C(=O)CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000603661976 1068049989 /nfs/dbraw/zinc/04/99/89/1068049989.db2.gz XRAWFPCXIMWDHK-UHFFFAOYSA-N 0 0 452.537 -0.354 20 5 JBBDRN O=C(CN1CCN(C(=O)CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1)N1CCOCC1 ZINC000603682710 1068050433 /nfs/dbraw/zinc/05/04/33/1068050433.db2.gz LDMMATBBHHQWJZ-UHFFFAOYSA-N 0 0 460.535 -0.280 20 5 JBBDRN CCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C(=O)C1=O ZINC000603776962 1068051400 /nfs/dbraw/zinc/05/14/00/1068051400.db2.gz NLZPRVOHHWCWFT-UHFFFAOYSA-N 0 0 453.477 -0.882 20 5 JBBDRN CN(CCCNC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000603800159 1068053923 /nfs/dbraw/zinc/05/39/23/1068053923.db2.gz LCKAJUVLIQUNLT-UHFFFAOYSA-N 0 0 451.527 -0.009 20 5 JBBDRN O=C(CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000603805757 1068054020 /nfs/dbraw/zinc/05/40/20/1068054020.db2.gz FGYHTMJLIWQPAR-UHFFFAOYSA-N 0 0 455.493 -0.140 20 5 JBBDRN O=C(CCNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 ZINC000603805773 1068053839 /nfs/dbraw/zinc/05/38/39/1068053839.db2.gz FXMLTYBUPISKCQ-UHFFFAOYSA-N 0 0 455.493 -0.140 20 5 JBBDRN O=C(CCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)N1CCOCC1 ZINC000603806228 1068054060 /nfs/dbraw/zinc/05/40/60/1068054060.db2.gz PABLZJFZUQCFRR-UHFFFAOYSA-N 0 0 455.493 -0.140 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)NCCC(=O)N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000603806260 1068054075 /nfs/dbraw/zinc/05/40/75/1068054075.db2.gz RCFMBWJWQHSDMF-UHFFFAOYSA-N 0 0 485.519 -0.132 20 5 JBBDRN CN(CCCNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)S(C)(=O)=O ZINC000603822728 1068054401 /nfs/dbraw/zinc/05/44/01/1068054401.db2.gz AXDHVMLNDZIZMA-UHFFFAOYSA-N 0 0 463.538 -0.108 20 5 JBBDRN CN(CCCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)S(C)(=O)=O ZINC000603822743 1068054513 /nfs/dbraw/zinc/05/45/13/1068054513.db2.gz LCPOMIHBJLRNEH-UHFFFAOYSA-N 0 0 463.538 -0.108 20 5 JBBDRN CN(CCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000603822756 1068054328 /nfs/dbraw/zinc/05/43/28/1068054328.db2.gz RROCKTYFVICWOM-UHFFFAOYSA-N 0 0 463.538 -0.108 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCN(C)S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000603822761 1068054613 /nfs/dbraw/zinc/05/46/13/1068054613.db2.gz WZNPHKQRPDQQGQ-UHFFFAOYSA-N 0 0 493.564 -0.099 20 5 JBBDRN O=C(CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000603838989 1068054294 /nfs/dbraw/zinc/05/42/94/1068054294.db2.gz ACCZKXZIKCTWSP-UHFFFAOYSA-N 0 0 465.532 -0.018 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN(C(=O)C4CC4)CC3)CC2)cc1[N+](=O)[O-] ZINC000603840145 1068055661 /nfs/dbraw/zinc/05/56/61/1068055661.db2.gz SIWMWVWFTWRYPR-UHFFFAOYSA-N 0 0 495.558 -0.010 20 5 JBBDRN O=C(CN1CCN(C(=O)CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1)N1CCOCC1 ZINC000603840780 1068054381 /nfs/dbraw/zinc/05/43/81/1068054381.db2.gz SKRUUIMSPRDUEJ-UHFFFAOYSA-N 0 0 461.523 -0.885 20 5 JBBDRN O=C(CN1CCN(C(=O)CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1)N1CCOCC1 ZINC000603849516 1068055043 /nfs/dbraw/zinc/05/50/43/1068055043.db2.gz BAVGBKWIAVTQGU-UHFFFAOYSA-N 0 0 494.574 -0.583 20 5 JBBDRN CC(=O)N1CCN(CCNc2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000603855648 1068054952 /nfs/dbraw/zinc/05/49/52/1068054952.db2.gz XYZPCCSIDQJCSE-UHFFFAOYSA-N 0 0 484.579 -0.219 20 5 JBBDRN COCC(=O)NC1CCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000603860918 1068056235 /nfs/dbraw/zinc/05/62/35/1068056235.db2.gz KRABNQJWLOQNQS-UHFFFAOYSA-N 0 0 485.563 -0.063 20 5 JBBDRN COCC(=O)N1CCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000603863284 1068055262 /nfs/dbraw/zinc/05/52/62/1068055262.db2.gz DYPJENLHIBOCJB-UHFFFAOYSA-N 0 0 471.536 -0.500 20 5 JBBDRN CN1CCN(S(=O)(=O)c2ccc(N3CCN(C(=O)C(=O)NC4CC4)CC3)c([N+](=O)[O-])c2)CC1 ZINC000603863303 1068055298 /nfs/dbraw/zinc/05/52/98/1068055298.db2.gz GMRVXMMZTQFGDH-UHFFFAOYSA-N 0 0 480.547 -0.542 20 5 JBBDRN O=C(NC1CC1)C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000603863658 1068055751 /nfs/dbraw/zinc/05/57/51/1068055751.db2.gz UNXMXJZDQLWSLN-UHFFFAOYSA-N 0 0 467.504 -0.457 20 5 JBBDRN O=C(C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000603865755 1068055680 /nfs/dbraw/zinc/05/56/80/1068055680.db2.gz OTUCLPCINGMKTD-UHFFFAOYSA-N 0 0 481.531 -0.113 20 5 JBBDRN CN(C)C(=O)CN1CCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000603872347 1068055733 /nfs/dbraw/zinc/05/57/33/1068055733.db2.gz FJDRDVZOWLKJRQ-UHFFFAOYSA-N 0 0 484.579 -0.585 20 5 JBBDRN COc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000603873674 1068055550 /nfs/dbraw/zinc/05/55/50/1068055550.db2.gz YRSTUEKVVJIFMU-GASCZTMLSA-N 0 0 499.546 -0.169 20 5 JBBDRN COc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000603873675 1068055460 /nfs/dbraw/zinc/05/54/60/1068055460.db2.gz YRSTUEKVVJIFMU-GJZGRUSLSA-N 0 0 499.546 -0.169 20 5 JBBDRN COc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000603873676 1068055531 /nfs/dbraw/zinc/05/55/31/1068055531.db2.gz YRSTUEKVVJIFMU-HUUCEWRRSA-N 0 0 499.546 -0.169 20 5 JBBDRN CS(=O)(=O)N[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000603876147 1068055697 /nfs/dbraw/zinc/05/56/97/1068055697.db2.gz AYWLIQGNZINPSJ-HNNXBMFYSA-N 0 0 489.576 -0.559 20 5 JBBDRN CS(=O)(=O)N[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000603876149 1068055582 /nfs/dbraw/zinc/05/55/82/1068055582.db2.gz AYWLIQGNZINPSJ-OAHLLOKOSA-N 0 0 489.576 -0.559 20 5 JBBDRN CS(=O)(=O)N[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000603876214 1068055478 /nfs/dbraw/zinc/05/54/78/1068055478.db2.gz CNYZUMFMCPMPNW-HNNXBMFYSA-N 0 0 489.576 -0.559 20 5 JBBDRN CS(=O)(=O)N[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000603876215 1068056152 /nfs/dbraw/zinc/05/61/52/1068056152.db2.gz CNYZUMFMCPMPNW-OAHLLOKOSA-N 0 0 489.576 -0.559 20 5 JBBDRN COCCn1c(N)c(C(=O)CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c(=O)[nH]c1=O ZINC000603877256 1068055977 /nfs/dbraw/zinc/05/59/77/1068055977.db2.gz RRVXYVFNQLYQMF-UHFFFAOYSA-N 0 0 466.476 -0.212 20 5 JBBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCN2CCS(=O)(=O)CC2)c([N+](=O)[O-])c1 ZINC000603892359 1068056129 /nfs/dbraw/zinc/05/61/29/1068056129.db2.gz NYFOWPZUYQQUNC-UHFFFAOYSA-N 0 0 492.576 -0.149 20 5 JBBDRN O=C(NCCN1CCS(=O)(=O)CC1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000603892700 1068056116 /nfs/dbraw/zinc/05/61/16/1068056116.db2.gz XZHKQXPEGGRWTR-KRWDZBQOSA-N 0 0 474.561 -0.015 20 5 JBBDRN O=C(NCCN1CCS(=O)(=O)CC1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000603892701 1068056001 /nfs/dbraw/zinc/05/60/01/1068056001.db2.gz XZHKQXPEGGRWTR-QGZVFWFLSA-N 0 0 474.561 -0.015 20 5 JBBDRN CCOC(=O)C=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CC(=O)N1CCOCC1 ZINC000603893829 1068056217 /nfs/dbraw/zinc/05/62/17/1068056217.db2.gz HHIWORLKNNAZEJ-UHFFFAOYSA-N 0 0 453.498 -0.089 20 5 JBBDRN CN(CCCNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000603895742 1068056101 /nfs/dbraw/zinc/05/61/01/1068056101.db2.gz OSRYUOBSKZYTOS-UHFFFAOYSA-N 0 0 494.548 -0.608 20 5 JBBDRN CN(CCCNC(=O)Cn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O)S(C)(=O)=O ZINC000603913984 1068056590 /nfs/dbraw/zinc/05/65/90/1068056590.db2.gz YPPHDEMRWOYGEN-UHFFFAOYSA-N 0 0 463.476 -0.112 20 5 JBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000603916081 1068056430 /nfs/dbraw/zinc/05/64/30/1068056430.db2.gz PDLBUOHMZGIQPF-UHFFFAOYSA-N 0 0 452.449 -0.119 20 5 JBBDRN CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N2CCN(CC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000603927426 1068055852 /nfs/dbraw/zinc/05/58/52/1068055852.db2.gz YRGRHMMEOYIIGJ-UHFFFAOYSA-N 0 0 470.552 -0.074 20 5 JBBDRN CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000603941052 1068056357 /nfs/dbraw/zinc/05/63/57/1068056357.db2.gz APECMKIBCQPFBT-INIZCTEOSA-N 0 0 476.519 -0.196 20 5 JBBDRN CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000603941053 1068056558 /nfs/dbraw/zinc/05/65/58/1068056558.db2.gz APECMKIBCQPFBT-MRXNPFEDSA-N 0 0 476.519 -0.196 20 5 JBBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCN(CC(=O)NC)CC2)c([N+](=O)[O-])c1 ZINC000603945329 1068057102 /nfs/dbraw/zinc/05/71/02/1068057102.db2.gz DWBCHNWNLYWJGL-UHFFFAOYSA-N 0 0 471.536 -0.106 20 5 JBBDRN CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000603956542 1068057050 /nfs/dbraw/zinc/05/70/50/1068057050.db2.gz QUXVKAXIBCYQLZ-UHFFFAOYSA-N 0 0 451.502 -0.468 20 5 JBBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000604037929 1068057226 /nfs/dbraw/zinc/05/72/26/1068057226.db2.gz XXEQQPDADYWFBS-UHFFFAOYSA-N 0 0 486.532 -0.552 20 5 JBBDRN O=C(NC[C@H]1COCCO1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000604102113 1068057721 /nfs/dbraw/zinc/05/77/21/1068057721.db2.gz IRPANUZHQCMLCO-INIZCTEOSA-N 0 0 499.546 -0.137 20 5 JBBDRN O=C(NC[C@@H]1COCCO1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000604102117 1068057668 /nfs/dbraw/zinc/05/76/68/1068057668.db2.gz IRPANUZHQCMLCO-MRXNPFEDSA-N 0 0 499.546 -0.137 20 5 JBBDRN COc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000604105009 1068058089 /nfs/dbraw/zinc/05/80/89/1068058089.db2.gz HTMOXRWRCUQEFU-UHFFFAOYSA-N 0 0 456.525 -0.077 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CCN3CCCS3(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000604131125 1068058353 /nfs/dbraw/zinc/05/83/53/1068058353.db2.gz VOOJNHGGDDZOHF-UHFFFAOYSA-N 0 0 476.533 -0.138 20 5 JBBDRN O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000604135780 1068058157 /nfs/dbraw/zinc/05/81/57/1068058157.db2.gz FGENCWQIGATRFM-UHFFFAOYSA-N 0 0 461.456 -0.030 20 5 JBBDRN Cn1c(=O)c2cc(NC(=O)C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)cnc2n(C)c1=O ZINC000604145372 1068058530 /nfs/dbraw/zinc/05/85/30/1068058530.db2.gz GFIWJUBGWAXPOP-UHFFFAOYSA-N 0 0 467.442 -0.172 20 5 JBBDRN COCCn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000604155166 1068058498 /nfs/dbraw/zinc/05/84/98/1068058498.db2.gz UPCZKBZDYRQVLS-UHFFFAOYSA-N 0 0 466.476 -0.091 20 5 JBBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000604163801 1068058338 /nfs/dbraw/zinc/05/83/38/1068058338.db2.gz HWSMADQRQZNLMX-UHFFFAOYSA-N 0 0 485.400 -0.336 20 5 JBBDRN NC(=O)c1ccc(SCC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c([N+](=O)[O-])c1 ZINC000604181231 1068058705 /nfs/dbraw/zinc/05/87/05/1068058705.db2.gz AFOUUXICAAUEAI-UHFFFAOYSA-N 0 0 463.472 -0.394 20 5 JBBDRN COc1ccc(C(=O)NCC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1[N+](=O)[O-] ZINC000604181572 1068058671 /nfs/dbraw/zinc/05/86/71/1068058671.db2.gz OPTNMJYACWLLEI-UHFFFAOYSA-N 0 0 461.431 -0.847 20 5 JBBDRN O=C(NC1=NCC(=O)N1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000604184997 1068058514 /nfs/dbraw/zinc/05/85/14/1068058514.db2.gz NLSOZZOSFQKLHC-UHFFFAOYSA-N 0 0 480.503 -0.566 20 5 JBBDRN CN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000604328848 1068061888 /nfs/dbraw/zinc/06/18/88/1068061888.db2.gz IHYARGIMYZDSDI-HNNXBMFYSA-N 0 0 489.576 -0.054 20 5 JBBDRN CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000604328849 1068061742 /nfs/dbraw/zinc/06/17/42/1068061742.db2.gz IHYARGIMYZDSDI-OAHLLOKOSA-N 0 0 489.576 -0.054 20 5 JBBDRN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000604328900 1068061874 /nfs/dbraw/zinc/06/18/74/1068061874.db2.gz ZZLUGFRTALGZQL-GFCCVEGCSA-N 0 0 463.538 -0.010 20 5 JBBDRN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000604328901 1068061723 /nfs/dbraw/zinc/06/17/23/1068061723.db2.gz ZZLUGFRTALGZQL-LBPRGKRZSA-N 0 0 463.538 -0.010 20 5 JBBDRN CN(C)S(=O)(=O)N1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000604401250 1068061777 /nfs/dbraw/zinc/06/17/77/1068061777.db2.gz UJGMHXLLZNKKNT-UHFFFAOYSA-N 0 0 464.526 -0.993 20 5 JBBDRN CS(=O)(=O)N1CCN(CCNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000604429099 1068061630 /nfs/dbraw/zinc/06/16/30/1068061630.db2.gz LYNDVIRIMJMEDT-UHFFFAOYSA-N 0 0 477.565 -0.395 20 5 JBBDRN CN1CCN(S(=O)(=O)c2ccc(NCCN3CCN(S(C)(=O)=O)CC3)c([N+](=O)[O-])c2)CC1 ZINC000604429106 1068061795 /nfs/dbraw/zinc/06/17/95/1068061795.db2.gz NMDMTAMUJSUXKX-UHFFFAOYSA-N 0 0 490.608 -0.480 20 5 JBBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1OC ZINC000604429466 1068061599 /nfs/dbraw/zinc/06/15/99/1068061599.db2.gz MNEINUHMWHYIJO-UHFFFAOYSA-N 0 0 460.509 -0.064 20 5 JBBDRN Cc1cc(=O)c(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000604429789 1068061900 /nfs/dbraw/zinc/06/19/00/1068061900.db2.gz XMSDUGQJDBEEHM-UHFFFAOYSA-N 0 0 464.504 -0.244 20 5 JBBDRN CC(=O)N1CCN(c2ccc(C(=O)NCCN3CCN(S(C)(=O)=O)CC3)cc2[N+](=O)[O-])CC1 ZINC000604430038 1068061820 /nfs/dbraw/zinc/06/18/20/1068061820.db2.gz HVHVGGSFZQMBKD-UHFFFAOYSA-N 0 0 482.563 -0.430 20 5 JBBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000604436389 1068062145 /nfs/dbraw/zinc/06/21/45/1068062145.db2.gz OGKQMHLRIJZZOR-UHFFFAOYSA-N 0 0 453.477 -0.787 20 5 JBBDRN CCNC(=O)CN1CCCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000604441351 1068062074 /nfs/dbraw/zinc/06/20/74/1068062074.db2.gz KUSWVUZECRECRZ-UHFFFAOYSA-N 0 0 456.525 -0.285 20 5 JBBDRN CNC(=O)CN1CCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000604456108 1068062344 /nfs/dbraw/zinc/06/23/44/1068062344.db2.gz RVZGMZPPWKDEJL-UHFFFAOYSA-N 0 0 470.552 -0.927 20 5 JBBDRN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000604466046 1068062678 /nfs/dbraw/zinc/06/26/78/1068062678.db2.gz OTAPQYZSCZOBND-CYBMUJFWSA-N 0 0 477.565 -0.267 20 5 JBBDRN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000604466047 1068062622 /nfs/dbraw/zinc/06/26/22/1068062622.db2.gz OTAPQYZSCZOBND-ZDUSSCGKSA-N 0 0 477.565 -0.267 20 5 JBBDRN CN(C)S(=O)(=O)N1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000604468545 1068062203 /nfs/dbraw/zinc/06/22/03/1068062203.db2.gz HXVZYKZGBVWXFV-UHFFFAOYSA-N 0 0 464.526 -0.993 20 5 JBBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC000604476840 1068062061 /nfs/dbraw/zinc/06/20/61/1068062061.db2.gz YCWCRGYLWYRGBQ-UHFFFAOYSA-N 0 0 465.492 -0.270 20 5 JBBDRN CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000604498731 1068063154 /nfs/dbraw/zinc/06/31/54/1068063154.db2.gz UKXCSBXRIIGQDE-HNNXBMFYSA-N 0 0 483.547 -0.293 20 5 JBBDRN CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000604498732 1068063099 /nfs/dbraw/zinc/06/30/99/1068063099.db2.gz UKXCSBXRIIGQDE-OAHLLOKOSA-N 0 0 483.547 -0.293 20 5 JBBDRN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000604498769 1068062719 /nfs/dbraw/zinc/06/27/19/1068062719.db2.gz CVOLPYCCGNNEQO-HNNXBMFYSA-N 0 0 469.520 -0.830 20 5 JBBDRN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000604498770 1068063077 /nfs/dbraw/zinc/06/30/77/1068063077.db2.gz CVOLPYCCGNNEQO-OAHLLOKOSA-N 0 0 469.520 -0.830 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)NCCS(=O)(=O)NC(C)C)CC2)cc1[N+](=O)[O-] ZINC000604505976 1068062888 /nfs/dbraw/zinc/06/28/88/1068062888.db2.gz SISFXHAFAILGRZ-UHFFFAOYSA-N 0 0 493.564 -0.053 20 5 JBBDRN CC(C)NS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000604505990 1068063180 /nfs/dbraw/zinc/06/31/80/1068063180.db2.gz WDLPEDUOSYKEDC-UHFFFAOYSA-N 0 0 463.538 -0.062 20 5 JBBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000604529235 1068063014 /nfs/dbraw/zinc/06/30/14/1068063014.db2.gz UIHGWEMZRIKSJT-UHFFFAOYSA-N 0 0 462.444 -0.129 20 5 JBBDRN CS(=O)(=O)N1CCN(CCNC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000604537018 1068062989 /nfs/dbraw/zinc/06/29/89/1068062989.db2.gz FTBIZELHQJDYMN-UHFFFAOYSA-N 0 0 474.565 -0.299 20 5 JBBDRN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000608818740 1068064731 /nfs/dbraw/zinc/06/47/31/1068064731.db2.gz DVQLGQJEWZVZNN-UHFFFAOYSA-N 0 0 469.458 -0.035 20 5 JBBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000608818777 1068064819 /nfs/dbraw/zinc/06/48/19/1068064819.db2.gz HLPVYOXLARJXSD-UHFFFAOYSA-N 0 0 491.530 -0.092 20 5 JBBDRN O=C(NCCNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1cnccn1 ZINC000608837789 1068064928 /nfs/dbraw/zinc/06/49/28/1068064928.db2.gz KUHLOOWCUFKFHT-UHFFFAOYSA-N 0 0 463.476 -0.169 20 5 JBBDRN O=C(NCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)c1cnccn1 ZINC000608843033 1068064892 /nfs/dbraw/zinc/06/48/92/1068064892.db2.gz HDMYBLUHLSTVTQ-UHFFFAOYSA-N 0 0 463.476 -0.169 20 5 JBBDRN O=C(NCCn1cncn1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000608843523 1068064718 /nfs/dbraw/zinc/06/47/18/1068064718.db2.gz ZDACZYMXGLYJPO-UHFFFAOYSA-N 0 0 494.534 -0.261 20 5 JBBDRN Cn1cnnc1Sc1ccc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1[N+](=O)[O-] ZINC000608965232 1067641470 /nfs/dbraw/zinc/64/14/70/1067641470.db2.gz WOQWSGBOZMJPPW-UHFFFAOYSA-N 0 0 458.464 -0.154 20 5 JBBDRN Cc1cc(=O)c(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000608965249 1068071550 /nfs/dbraw/zinc/07/15/50/1068071550.db2.gz XDVLKRNMDAPLCE-UHFFFAOYSA-N 0 0 453.419 -0.580 20 5 JBBDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)CC2)CC1 ZINC000608985292 1067641554 /nfs/dbraw/zinc/64/15/54/1067641554.db2.gz UDSLKNXCCFELON-UHFFFAOYSA-N 0 0 455.493 -0.384 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3C(=O)CCC3=O)CC2)cc1[N+](=O)[O-] ZINC000609023413 1068072525 /nfs/dbraw/zinc/07/25/25/1068072525.db2.gz VQRMNXXPXMPFDB-GFCCVEGCSA-N 0 0 454.461 -0.026 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3C(=O)CCC3=O)CC2)cc1[N+](=O)[O-] ZINC000609023414 1068072580 /nfs/dbraw/zinc/07/25/80/1068072580.db2.gz VQRMNXXPXMPFDB-LBPRGKRZSA-N 0 0 454.461 -0.026 20 5 JBBDRN C[C@@H](NC(=O)c1ccc(C(=O)N[C@@H](C)C(=O)N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000609044045 1068072324 /nfs/dbraw/zinc/07/23/24/1068072324.db2.gz DFKFCLKNRWILFW-CABCVRRESA-N 0 0 491.501 -0.451 20 5 JBBDRN C[C@H](NC(=O)c1ccc(C(=O)N[C@@H](C)C(=O)N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000609044047 1068072536 /nfs/dbraw/zinc/07/25/36/1068072536.db2.gz DFKFCLKNRWILFW-GJZGRUSLSA-N 0 0 491.501 -0.451 20 5 JBBDRN C[C@@H](NC(=O)c1ccc(C(=O)N[C@H](C)C(=O)N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000609044048 1068072307 /nfs/dbraw/zinc/07/23/07/1068072307.db2.gz DFKFCLKNRWILFW-HUUCEWRRSA-N 0 0 491.501 -0.451 20 5 JBBDRN C[C@@H](NC(=O)c1ccc(C(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000609044049 1068072476 /nfs/dbraw/zinc/07/24/76/1068072476.db2.gz DFKFCLKNRWILFW-LSDHHAIUSA-N 0 0 491.501 -0.451 20 5 JBBDRN CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000609121305 1068074554 /nfs/dbraw/zinc/07/45/54/1068074554.db2.gz XJEJXCLGFRDQFN-UHFFFAOYSA-N 0 0 450.495 -0.779 20 5 JBBDRN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000609125505 1068074665 /nfs/dbraw/zinc/07/46/65/1068074665.db2.gz FDHUBOZOGVPPLU-INIZCTEOSA-N 0 0 467.504 -0.445 20 5 JBBDRN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000609125506 1068074711 /nfs/dbraw/zinc/07/47/11/1068074711.db2.gz FDHUBOZOGVPPLU-MRXNPFEDSA-N 0 0 467.504 -0.445 20 5 JBBDRN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000609125523 1068074678 /nfs/dbraw/zinc/07/46/78/1068074678.db2.gz SCDHTIURNNXGFO-KRWDZBQOSA-N 0 0 481.531 -0.137 20 5 JBBDRN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000609125524 1068074611 /nfs/dbraw/zinc/07/46/11/1068074611.db2.gz SCDHTIURNNXGFO-QGZVFWFLSA-N 0 0 481.531 -0.137 20 5 JBBDRN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609125525 1068074476 /nfs/dbraw/zinc/07/44/76/1068074476.db2.gz WEXUSBBVOSXDLM-KRWDZBQOSA-N 0 0 467.504 -0.445 20 5 JBBDRN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609125526 1068074569 /nfs/dbraw/zinc/07/45/69/1068074569.db2.gz WEXUSBBVOSXDLM-QGZVFWFLSA-N 0 0 467.504 -0.445 20 5 JBBDRN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000609125642 1068074461 /nfs/dbraw/zinc/07/44/61/1068074461.db2.gz QRMFGWLBEGIAPD-KRWDZBQOSA-N 0 0 481.531 -0.226 20 5 JBBDRN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000609125646 1068074523 /nfs/dbraw/zinc/07/45/23/1068074523.db2.gz QRMFGWLBEGIAPD-QGZVFWFLSA-N 0 0 481.531 -0.226 20 5 JBBDRN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000609125826 1068074727 /nfs/dbraw/zinc/07/47/27/1068074727.db2.gz WVNDANWWHSBWFD-HNNXBMFYSA-N 0 0 455.493 -0.347 20 5 JBBDRN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000609125827 1068074540 /nfs/dbraw/zinc/07/45/40/1068074540.db2.gz WVNDANWWHSBWFD-OAHLLOKOSA-N 0 0 455.493 -0.347 20 5 JBBDRN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609128549 1068075032 /nfs/dbraw/zinc/07/50/32/1068075032.db2.gz IWEKUFDWGQXXNV-KRWDZBQOSA-N 0 0 467.504 -0.445 20 5 JBBDRN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609128550 1068074989 /nfs/dbraw/zinc/07/49/89/1068074989.db2.gz IWEKUFDWGQXXNV-QGZVFWFLSA-N 0 0 467.504 -0.445 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C(=O)CNC(C)=O)CC2)cc1[N+](=O)[O-] ZINC000609128563 1068075112 /nfs/dbraw/zinc/07/51/12/1068075112.db2.gz NJWWLGSBASESEB-INIZCTEOSA-N 0 0 497.530 -0.437 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C(=O)CNC(C)=O)CC2)cc1[N+](=O)[O-] ZINC000609128564 1068075163 /nfs/dbraw/zinc/07/51/63/1068075163.db2.gz NJWWLGSBASESEB-MRXNPFEDSA-N 0 0 497.530 -0.437 20 5 JBBDRN O=C([C@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609159714 1068077875 /nfs/dbraw/zinc/07/78/75/1068077875.db2.gz LKZVBBHVEIQUAW-KRWDZBQOSA-N 0 0 495.558 -0.392 20 5 JBBDRN O=C([C@@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609159718 1068078075 /nfs/dbraw/zinc/07/80/75/1068078075.db2.gz LKZVBBHVEIQUAW-QGZVFWFLSA-N 0 0 495.558 -0.392 20 5 JBBDRN NS(=O)(=O)CCCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000609193222 1068080964 /nfs/dbraw/zinc/08/09/64/1068080964.db2.gz CXHDSAUYVGWVOY-UHFFFAOYSA-N 0 0 477.565 -0.584 20 5 JBBDRN O=C(CN1C(=O)CCC1=O)N1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000609196389 1068081043 /nfs/dbraw/zinc/08/10/43/1068081043.db2.gz NYRIZPQXSLAMIO-UHFFFAOYSA-N 0 0 468.444 -0.652 20 5 JBBDRN CC(=O)N1CCN(C(=O)CCNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609346341 1068306611 /nfs/dbraw/zinc/30/66/11/1068306611.db2.gz CTMTVPSUGBTVDG-UHFFFAOYSA-N 0 0 455.493 -0.540 20 5 JBBDRN CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000609359140 1068306688 /nfs/dbraw/zinc/30/66/88/1068306688.db2.gz QLBAHMGCQFASCQ-UHFFFAOYSA-N 0 0 496.546 -0.309 20 5 JBBDRN CS(=O)(=O)c1ccc(N2CCN(C(=O)NCCCN3C(=O)CNC3=O)CC2)c([N+](=O)[O-])c1 ZINC000609391285 1068306706 /nfs/dbraw/zinc/30/67/06/1068306706.db2.gz NQGHRWLNASKIES-UHFFFAOYSA-N 0 0 468.492 -0.228 20 5 JBBDRN O=C(NCCCN1C(=O)CNC1=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609391312 1068306494 /nfs/dbraw/zinc/30/64/94/1068306494.db2.gz ROOWTWFOYWILAS-UHFFFAOYSA-N 0 0 454.465 -0.447 20 5 JBBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000609391460 1068306590 /nfs/dbraw/zinc/30/65/90/1068306590.db2.gz NXYLBVZLXOZFOB-UHFFFAOYSA-N 0 0 467.866 -0.492 20 5 JBBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000609391788 1068306722 /nfs/dbraw/zinc/30/67/22/1068306722.db2.gz YCUYETHEEJQPHA-UHFFFAOYSA-N 0 0 453.883 -0.019 20 5 JBBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000609391950 1068306457 /nfs/dbraw/zinc/30/64/57/1068306457.db2.gz NDWPICZTFUFCJK-UHFFFAOYSA-N 0 0 465.850 -0.202 20 5 JBBDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)CC1 ZINC000609392422 1068306668 /nfs/dbraw/zinc/30/66/68/1068306668.db2.gz HGHPEAXIOTZUSR-UHFFFAOYSA-N 0 0 488.954 -0.386 20 5 JBBDRN CC(C)NC(=O)CN1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000609505357 1068307236 /nfs/dbraw/zinc/30/72/36/1068307236.db2.gz AKYLWYCSVAVZED-UHFFFAOYSA-N 0 0 456.525 -0.287 20 5 JBBDRN NS(=O)(=O)c1ccc(NCCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000609513921 1068306874 /nfs/dbraw/zinc/30/68/74/1068306874.db2.gz IBLABEIZECPANC-UHFFFAOYSA-N 0 0 468.536 -0.189 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000609586642 1068307184 /nfs/dbraw/zinc/30/71/84/1068307184.db2.gz OPCONGQAHRSCAI-AWEZNQCLSA-N 0 0 476.533 -0.140 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000609586643 1068306939 /nfs/dbraw/zinc/30/69/39/1068306939.db2.gz OPCONGQAHRSCAI-CQSZACIVSA-N 0 0 476.533 -0.140 20 5 JBBDRN CN(CC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000610653256 1067668176 /nfs/dbraw/zinc/66/81/76/1067668176.db2.gz HHJHHLDEXXWFIZ-AWEZNQCLSA-N 0 0 474.561 -0.234 20 5 JBBDRN CN(CC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000610653257 1067668338 /nfs/dbraw/zinc/66/83/38/1067668338.db2.gz HHJHHLDEXXWFIZ-CQSZACIVSA-N 0 0 474.561 -0.234 20 5 JBBDRN CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000610653291 1067668478 /nfs/dbraw/zinc/66/84/78/1067668478.db2.gz WZUJBSOJWQUHEF-AWEZNQCLSA-N 0 0 460.534 -0.453 20 5 JBBDRN CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000610653292 1067668376 /nfs/dbraw/zinc/66/83/76/1067668376.db2.gz WZUJBSOJWQUHEF-CQSZACIVSA-N 0 0 460.534 -0.453 20 5 JBBDRN CN(CC(=O)N1CCN(C)CC1)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000611522502 1068435286 /nfs/dbraw/zinc/43/52/86/1068435286.db2.gz FODOTWUERCFQIE-UHFFFAOYSA-N 0 0 482.563 -0.867 20 5 JBBDRN CN(CC(=O)N1CCN(C)CC1)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000611522704 1068435055 /nfs/dbraw/zinc/43/50/55/1068435055.db2.gz VZFJXGRNGKONOK-UHFFFAOYSA-N 0 0 482.563 -0.867 20 5 JBBDRN O=C(C(=O)N1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000612103709 1067688517 /nfs/dbraw/zinc/68/85/17/1067688517.db2.gz CTVYUGMGGOLZGH-UHFFFAOYSA-N 0 0 461.475 -0.425 20 5 JBBDRN CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000612104002 1067688400 /nfs/dbraw/zinc/68/84/00/1067688400.db2.gz ZNESXORHJDSCEX-UHFFFAOYSA-N 0 0 455.493 -0.648 20 5 JBBDRN CC(C)NC(=O)C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000612114108 1067688468 /nfs/dbraw/zinc/68/84/68/1067688468.db2.gz HWKOBWFOVQNKQP-UHFFFAOYSA-N 0 0 469.520 -0.211 20 5 JBBDRN CC(C)NC(=O)C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC1 ZINC000612114200 1067677819 /nfs/dbraw/zinc/67/78/19/1067677819.db2.gz TWGRTHGPDISXBM-UHFFFAOYSA-N 0 0 482.563 -0.296 20 5 JBBDRN COc1cc(CCNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000616169632 1067707307 /nfs/dbraw/zinc/70/73/07/1067707307.db2.gz HLFZEFRXQKRKOD-UHFFFAOYSA-N 0 0 479.490 -0.133 20 5 JBBDRN Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000619427613 1068336322 /nfs/dbraw/zinc/33/63/22/1068336322.db2.gz NKMISFRJQFJMEH-UHFFFAOYSA-N 0 0 457.490 -0.273 20 5 JBBDRN Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000619432276 1068336381 /nfs/dbraw/zinc/33/63/81/1068336381.db2.gz CKYPEMHIUURCEU-UHFFFAOYSA-N 0 0 471.517 -0.053 20 5 JBBDRN NC(=O)c1ccc(SCC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000619526944 1068336683 /nfs/dbraw/zinc/33/66/83/1068336683.db2.gz MGFNBQKVVJTDTD-UHFFFAOYSA-N 0 0 465.488 -0.685 20 5 JBBDRN COCCN1CCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000619568920 1068336579 /nfs/dbraw/zinc/33/65/79/1068336579.db2.gz XOFLBLHJDCNSFH-UHFFFAOYSA-N 0 0 457.553 -0.026 20 5 JBBDRN Cn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1C(N)=O ZINC000619571031 1068336552 /nfs/dbraw/zinc/33/65/52/1068336552.db2.gz RIPKCJGTAOHSOD-UHFFFAOYSA-N 0 0 457.490 -0.273 20 5 JBBDRN Cn1cc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000726001900 1069138123 /nfs/dbraw/zinc/13/81/23/1069138123.db2.gz MRFRNMYRIDPRQI-UHFFFAOYSA-N 0 0 451.461 -0.053 20 5 JBBDRN Cn1cc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000726002804 1069138063 /nfs/dbraw/zinc/13/80/63/1069138063.db2.gz SCTYDRURBCYYLQ-UHFFFAOYSA-N 0 0 451.461 -0.053 20 5 JBBDRN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=O)Cn1cccc([N+](=O)[O-])c1=O ZINC000726431608 1069146623 /nfs/dbraw/zinc/14/66/23/1069146623.db2.gz DVDVNGFNWJJRRY-UHFFFAOYSA-N 0 0 453.433 -0.928 20 5 JBBDRN Cc1nn(CCC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(C)c1[N+](=O)[O-] ZINC000726526373 1069146581 /nfs/dbraw/zinc/14/65/81/1069146581.db2.gz HEQPYBZGZRDCNF-AWEZNQCLSA-N 0 0 463.538 -0.541 20 5 JBBDRN Cc1nn(CCC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c(C)c1[N+](=O)[O-] ZINC000726526374 1069146600 /nfs/dbraw/zinc/14/66/00/1069146600.db2.gz HEQPYBZGZRDCNF-CQSZACIVSA-N 0 0 463.538 -0.541 20 5 JBBDRN O=C1CN(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000726584167 1069148093 /nfs/dbraw/zinc/14/80/93/1069148093.db2.gz AHOJEJSZQWTQNE-UHFFFAOYSA-N 0 0 468.492 -0.485 20 5 JBBDRN O=C(C(=O)N1CCN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1)N1CCOCC1 ZINC000726584784 1069148970 /nfs/dbraw/zinc/14/89/70/1069148970.db2.gz HPTBSQLKKCVUBH-UHFFFAOYSA-N 0 0 460.447 -0.676 20 5 JBBDRN CN1CCN(S(=O)(=O)N2CCN(CN3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)CC2)CC1 ZINC000726585958 1069148797 /nfs/dbraw/zinc/14/87/97/1069148797.db2.gz CMTIDKMTVBRWEP-UHFFFAOYSA-N 0 0 481.535 -0.569 20 5 JBBDRN O=C(CN1C(=O)CCC1=O)N1CCN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000726586636 1069148903 /nfs/dbraw/zinc/14/89/03/1069148903.db2.gz DYOCDJFMSJNRMT-UHFFFAOYSA-N 0 0 458.431 -0.386 20 5 JBBDRN Cc1nn(CCC(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(C)c1[N+](=O)[O-] ZINC000726645402 1069150323 /nfs/dbraw/zinc/15/03/23/1069150323.db2.gz JQADCCJLGKTCGQ-HNNXBMFYSA-N 0 0 457.509 -0.327 20 5 JBBDRN Cc1nn(CCC(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C)c1[N+](=O)[O-] ZINC000726645405 1069150284 /nfs/dbraw/zinc/15/02/84/1069150284.db2.gz JQADCCJLGKTCGQ-OAHLLOKOSA-N 0 0 457.509 -0.327 20 5 JBBDRN CC(=O)NC(C)(C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000726837845 1069155822 /nfs/dbraw/zinc/15/58/22/1069155822.db2.gz BFHBAGBKYZMUMP-UHFFFAOYSA-N 0 0 456.477 -0.114 20 5 JBBDRN CC(=O)NC(C)(C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000726838870 1069155706 /nfs/dbraw/zinc/15/57/06/1069155706.db2.gz ZWTVYDGILZFABH-UHFFFAOYSA-N 0 0 456.477 -0.114 20 5 JBBDRN CS(=O)(=O)NCCNC(=S)NNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000727064591 1068437875 /nfs/dbraw/zinc/43/78/75/1068437875.db2.gz AWPQCKMVZIRARG-UHFFFAOYSA-N 0 0 466.567 -0.281 20 5 JBBDRN CCN(CC)S(=O)(=O)c1ccc(NNC(=S)NCCNS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000727064845 1068437961 /nfs/dbraw/zinc/43/79/61/1068437961.db2.gz CMELHIPAEWGCRO-UHFFFAOYSA-N 0 0 468.583 -0.035 20 5 JBBDRN CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NNC(=S)NCCNS(C)(=O)=O ZINC000727065242 1068437942 /nfs/dbraw/zinc/43/79/42/1068437942.db2.gz ISKRKWFPWPZTJA-UHFFFAOYSA-N 0 0 468.583 -0.035 20 5 JBBDRN CS(=O)(=O)NCCNC(=S)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000727065929 1068437998 /nfs/dbraw/zinc/43/79/98/1068437998.db2.gz GNHGKPQLPDJKQZ-UHFFFAOYSA-N 0 0 451.552 -0.675 20 5 JBBDRN CS(=O)(=O)NCCNC(=S)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000727066257 1068438072 /nfs/dbraw/zinc/43/80/72/1068438072.db2.gz MMDMJUINUWBGCJ-UHFFFAOYSA-N 0 0 451.552 -0.675 20 5 JBBDRN CS(=O)(=O)NCCNC(=S)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000727066261 1068437972 /nfs/dbraw/zinc/43/79/72/1068437972.db2.gz MNBMEHPZNRUITO-UHFFFAOYSA-N 0 0 451.552 -0.675 20 5 JBBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=S)NCCNS(C)(=O)=O)CC1 ZINC000727066759 1068437935 /nfs/dbraw/zinc/43/79/35/1068437935.db2.gz UUBOQYATUJNGAI-UHFFFAOYSA-N 0 0 465.579 -0.367 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=S)NCCNS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000727067099 1068437854 /nfs/dbraw/zinc/43/78/54/1068437854.db2.gz UVMLADVFLORGMH-UHFFFAOYSA-N 0 0 481.578 -0.667 20 5 JBBDRN CS(=O)(=O)NCCNC(=S)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000727072781 1068438716 /nfs/dbraw/zinc/43/87/16/1068438716.db2.gz OWQBYRSZYLKQJJ-UHFFFAOYSA-N 0 0 465.579 -0.456 20 5 JBBDRN CC(C)NC(=O)CNC(=S)NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000727268893 1068445204 /nfs/dbraw/zinc/44/52/04/1068445204.db2.gz SFMSNYCWECZOOB-UHFFFAOYSA-N 0 0 460.538 -0.069 20 5 JBBDRN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000727373235 1068445928 /nfs/dbraw/zinc/44/59/28/1068445928.db2.gz QVEVKJZBVGGPPV-CYBMUJFWSA-N 0 0 475.501 -0.359 20 5 JBBDRN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000727373236 1068446025 /nfs/dbraw/zinc/44/60/25/1068446025.db2.gz QVEVKJZBVGGPPV-ZDUSSCGKSA-N 0 0 475.501 -0.359 20 5 JBBDRN O=C(Cn1cnnn1)N1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CC1 ZINC000727430737 1068446447 /nfs/dbraw/zinc/44/64/47/1068446447.db2.gz DHEWREOQTJSWCM-UHFFFAOYSA-N 0 0 450.481 -0.285 20 5 JBBDRN O=C(COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000727564110 1068447743 /nfs/dbraw/zinc/44/77/43/1068447743.db2.gz LQYJNKGDHIFPRA-CYBMUJFWSA-N 0 0 469.472 -0.146 20 5 JBBDRN O=C(COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000727564125 1068447694 /nfs/dbraw/zinc/44/76/94/1068447694.db2.gz LQYJNKGDHIFPRA-ZDUSSCGKSA-N 0 0 469.472 -0.146 20 5 JBBDRN COc1ccc(CC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000727674487 1068448579 /nfs/dbraw/zinc/44/85/79/1068448579.db2.gz XZVPRADJXFLEPO-AWEZNQCLSA-N 0 0 461.518 -0.193 20 5 JBBDRN COc1ccc(CC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000727674488 1068448634 /nfs/dbraw/zinc/44/86/34/1068448634.db2.gz XZVPRADJXFLEPO-CQSZACIVSA-N 0 0 461.518 -0.193 20 5 JBBDRN Cn1nc(C(=O)N2CCN(CCOC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)CC2)ccc1=O ZINC000727771772 1068450071 /nfs/dbraw/zinc/45/00/71/1068450071.db2.gz CGTJKTIUIQYIPU-UHFFFAOYSA-N 0 0 493.498 -0.293 20 5 JBBDRN Cn1nc(C(=O)N2CCN(CCOC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)ccc1=O ZINC000727773351 1068450113 /nfs/dbraw/zinc/45/01/13/1068450113.db2.gz PWSRQXQYGQRAEF-UHFFFAOYSA-N 0 0 498.452 -0.714 20 5 JBBDRN Cc1nn(CCC(=O)OCCN2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)c(C)c1[N+](=O)[O-] ZINC000727773438 1068450258 /nfs/dbraw/zinc/45/02/58/1068450258.db2.gz QYNCSTZMDFLPFD-UHFFFAOYSA-N 0 0 461.479 -0.107 20 5 JBBDRN O=C1NC2(CCOCC2)C(=O)N1CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000727815818 1068451768 /nfs/dbraw/zinc/45/17/68/1068451768.db2.gz IILVWTLPUBRAGX-UHFFFAOYSA-N 0 0 453.477 -0.040 20 5 JBBDRN O=C1NC2(CCOCC2)C(=O)N1CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000727815836 1068451508 /nfs/dbraw/zinc/45/15/08/1068451508.db2.gz JKKNDKZMJHIONI-UHFFFAOYSA-N 0 0 453.477 -0.040 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(CN3C(=O)NC4(CCOCC4)C3=O)CC2)cc1[N+](=O)[O-] ZINC000727816217 1068451598 /nfs/dbraw/zinc/45/15/98/1068451598.db2.gz JRPVNEXABPSIAA-UHFFFAOYSA-N 0 0 483.503 -0.032 20 5 JBBDRN O=C1NC2(CCOCC2)C(=O)N1CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000727816423 1068451566 /nfs/dbraw/zinc/45/15/66/1068451566.db2.gz UFXJDSCGWWSFCF-UHFFFAOYSA-N 0 0 453.477 -0.040 20 5 JBBDRN O=C(CCN1CCCC1=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000727916345 1068452509 /nfs/dbraw/zinc/45/25/09/1068452509.db2.gz DPQYLIOQMWIXGV-UHFFFAOYSA-N 0 0 468.488 -0.017 20 5 JBBDRN O=C(CCN1CCCC1=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000727917064 1068452430 /nfs/dbraw/zinc/45/24/30/1068452430.db2.gz PPULPUQRUCNJBI-UHFFFAOYSA-N 0 0 468.488 -0.017 20 5 JBBDRN Cc1cn(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728706863 1067707667 /nfs/dbraw/zinc/70/76/67/1067707667.db2.gz WTJIKBNVLUFUFM-INIZCTEOSA-N 0 0 499.571 -0.052 20 5 JBBDRN Cc1cn(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728706866 1067707779 /nfs/dbraw/zinc/70/77/79/1067707779.db2.gz WTJIKBNVLUFUFM-MRXNPFEDSA-N 0 0 499.571 -0.052 20 5 JBBDRN Cc1cn(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728707324 1067707794 /nfs/dbraw/zinc/70/77/94/1067707794.db2.gz YSBBXGCXDQFCAR-UHFFFAOYSA-N 0 0 458.475 -0.184 20 5 JBBDRN Cc1cn(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728707520 1067707748 /nfs/dbraw/zinc/70/77/48/1067707748.db2.gz KMJUENCNXQDSOM-UHFFFAOYSA-N 0 0 479.563 -0.077 20 5 JBBDRN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000728766620 1067712865 /nfs/dbraw/zinc/71/28/65/1067712865.db2.gz DHUQBYPRRJTLHJ-HNNXBMFYSA-N 0 0 484.487 -0.352 20 5 JBBDRN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000728766621 1067713001 /nfs/dbraw/zinc/71/30/01/1067713001.db2.gz DHUQBYPRRJTLHJ-OAHLLOKOSA-N 0 0 484.487 -0.352 20 5 JBBDRN O=C(COC(=O)C1(O)CCOCC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000729028798 1067744095 /nfs/dbraw/zinc/74/40/95/1067744095.db2.gz XHPYVROBCRKKLS-UHFFFAOYSA-N 0 0 457.461 -0.488 20 5 JBBDRN O=C(COC(=O)C1(O)CCOCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000729028848 1067948207 /nfs/dbraw/zinc/94/82/07/1067948207.db2.gz YOBNFHULAZHLIP-UHFFFAOYSA-N 0 0 457.461 -0.488 20 5 JBBDRN O=C(CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000729153148 1067745419 /nfs/dbraw/zinc/74/54/19/1067745419.db2.gz COHIMTYRRPVBEQ-UHFFFAOYSA-N 0 0 465.488 -0.257 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=S)NCCS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000729156591 1067745481 /nfs/dbraw/zinc/74/54/81/1067745481.db2.gz MWTHYLAYRMXZTJ-UHFFFAOYSA-N 0 0 466.563 -0.171 20 5 JBBDRN CS(=O)(=O)CCNC(=S)NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000729157892 1067745577 /nfs/dbraw/zinc/74/55/77/1067745577.db2.gz KTMQMSNIWODIGU-UHFFFAOYSA-N 0 0 467.551 -0.549 20 5 JBBDRN Cn1nc(C(=O)N2CCN(CCOC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)ccc1=O ZINC000729208328 1067746586 /nfs/dbraw/zinc/74/65/86/1067746586.db2.gz DTZXNUKHEMSBBG-UHFFFAOYSA-N 0 0 486.485 -0.190 20 5 JBBDRN Cn1nc(C(=O)N2CCN(CCOC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)CC2)ccc1=O ZINC000729208596 1067746582 /nfs/dbraw/zinc/74/65/82/1067746582.db2.gz MMBLQISRJHJBOO-UHFFFAOYSA-N 0 0 482.457 -0.116 20 5 JBBDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N1CCNC1=O ZINC000729481704 1067898685 /nfs/dbraw/zinc/89/86/85/1067898685.db2.gz IZGFOVALWHUWAW-GFCCVEGCSA-N 0 0 469.476 -0.043 20 5 JBBDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N1CCNC1=O ZINC000729481705 1067898475 /nfs/dbraw/zinc/89/84/75/1067898475.db2.gz IZGFOVALWHUWAW-LBPRGKRZSA-N 0 0 469.476 -0.043 20 5 JBBDRN Cn1cnc2c1c(=O)n(CCCOC(=O)CN1C(=O)COc3ccc([N+](=O)[O-])cc31)c(=O)n2C ZINC000729946501 1068459983 /nfs/dbraw/zinc/45/99/83/1068459983.db2.gz FBSYRRHLRBVNNC-UHFFFAOYSA-N 0 0 472.414 -0.299 20 5 JBBDRN CCN(C(=O)COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@@H]1CCS(=O)(=O)C1 ZINC000729946553 1068460258 /nfs/dbraw/zinc/46/02/58/1068460258.db2.gz IJHZEXVUPAHXFX-CYBMUJFWSA-N 0 0 455.445 -0.101 20 5 JBBDRN CCN(C(=O)COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@H]1CCS(=O)(=O)C1 ZINC000729946554 1068460229 /nfs/dbraw/zinc/46/02/29/1068460229.db2.gz IJHZEXVUPAHXFX-ZDUSSCGKSA-N 0 0 455.445 -0.101 20 5 JBBDRN Cn1c2ncn(CCOC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)c2c(=O)n(C)c1=O ZINC000729948154 1068459928 /nfs/dbraw/zinc/45/99/28/1068459928.db2.gz DKZSHKVQEFGRII-UHFFFAOYSA-N 0 0 458.387 -0.689 20 5 JBBDRN C[C@H](OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000729948645 1068460218 /nfs/dbraw/zinc/46/02/18/1068460218.db2.gz SWOIHIMIKUDAJU-AAEUAGOBSA-N 0 0 455.445 -0.103 20 5 JBBDRN C[C@@H](OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000729948646 1068460151 /nfs/dbraw/zinc/46/01/51/1068460151.db2.gz SWOIHIMIKUDAJU-DGCLKSJQSA-N 0 0 455.445 -0.103 20 5 JBBDRN C[C@H](OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000729948648 1068460265 /nfs/dbraw/zinc/46/02/65/1068460265.db2.gz SWOIHIMIKUDAJU-WCQYABFASA-N 0 0 455.445 -0.103 20 5 JBBDRN C[C@@H](OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000729948649 1068460306 /nfs/dbraw/zinc/46/03/06/1068460306.db2.gz SWOIHIMIKUDAJU-YPMHNXCESA-N 0 0 455.445 -0.103 20 5 JBBDRN CS(=O)(=O)NCCOC(=O)CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000730597748 1068463049 /nfs/dbraw/zinc/46/30/49/1068463049.db2.gz FAVORWZJCQIPJF-UHFFFAOYSA-N 0 0 450.495 -0.434 20 5 JBBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000730628160 1068462881 /nfs/dbraw/zinc/46/28/81/1068462881.db2.gz RJTWEQKPMHNQPO-HNNXBMFYSA-N 0 0 499.498 -0.331 20 5 JBBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000730628161 1068462704 /nfs/dbraw/zinc/46/27/04/1068462704.db2.gz RJTWEQKPMHNQPO-OAHLLOKOSA-N 0 0 499.498 -0.331 20 5 JBBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000730628941 1068463024 /nfs/dbraw/zinc/46/30/24/1068463024.db2.gz ZEXSNIGMQNSCOV-UHFFFAOYSA-N 0 0 461.387 -0.215 20 5 JBBDRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000731102555 1068097200 /nfs/dbraw/zinc/09/72/00/1068097200.db2.gz PUYXNUKDFVHQQI-UHFFFAOYSA-N 0 0 469.882 -0.246 20 5 JBBDRN Cn1c2ncn(CCOC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])c2c(=O)n(C)c1=O ZINC000731103119 1068468207 /nfs/dbraw/zinc/46/82/07/1068468207.db2.gz NIZJXXSVLYGOSY-UHFFFAOYSA-N 0 0 464.822 -0.032 20 5 JBBDRN CS(=O)(=O)CCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000731253635 1068470363 /nfs/dbraw/zinc/47/03/63/1068470363.db2.gz DIULJMAARINROD-UHFFFAOYSA-N 0 0 477.517 -0.204 20 5 JBBDRN CS(=O)(=O)CCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000731253958 1068470157 /nfs/dbraw/zinc/47/01/57/1068470157.db2.gz GVZCFPAZYSGQHP-UHFFFAOYSA-N 0 0 477.517 -0.204 20 5 JBBDRN CN(CCOC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])S(=O)(=O)N1CCOCC1 ZINC000731289680 1068471186 /nfs/dbraw/zinc/47/11/86/1068471186.db2.gz CUOTWZBEPBTNIK-UHFFFAOYSA-N 0 0 462.506 -0.162 20 5 JBBDRN CN(CCOC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)S(=O)(=O)N1CCOCC1 ZINC000731290558 1068472028 /nfs/dbraw/zinc/47/20/28/1068472028.db2.gz HEUVPXHCTXLVDY-UHFFFAOYSA-N 0 0 456.433 -0.757 20 5 JBBDRN CN(CCOC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)S(=O)(=O)N1CCOCC1 ZINC000731290578 1068471930 /nfs/dbraw/zinc/47/19/30/1068471930.db2.gz HXNOXWIJVMIRRV-UHFFFAOYSA-N 0 0 459.481 -0.554 20 5 JBBDRN CN(CCOC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)S(=O)(=O)N1CCOCC1 ZINC000731291125 1068471873 /nfs/dbraw/zinc/47/18/73/1068471873.db2.gz IRKHZTZRCDSEHU-UHFFFAOYSA-N 0 0 451.479 -0.336 20 5 JBBDRN CN(CCOC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)S(=O)(=O)N1CCOCC1 ZINC000731291875 1068472893 /nfs/dbraw/zinc/47/28/93/1068472893.db2.gz CKJMAZMPDWXNIP-UHFFFAOYSA-N 0 0 458.449 -0.628 20 5 JBBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000742632610 1068483697 /nfs/dbraw/zinc/48/36/97/1068483697.db2.gz FKKYLEHFJQQIEX-HNNXBMFYSA-N 0 0 481.574 -0.020 20 5 JBBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000742632611 1068483939 /nfs/dbraw/zinc/48/39/39/1068483939.db2.gz FKKYLEHFJQQIEX-OAHLLOKOSA-N 0 0 481.574 -0.020 20 5 JBBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000744651895 1068486497 /nfs/dbraw/zinc/48/64/97/1068486497.db2.gz QSBMLWNEYUPPQO-UHFFFAOYSA-N 0 0 481.487 -0.020 20 5 JBBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000744661298 1068486635 /nfs/dbraw/zinc/48/66/35/1068486635.db2.gz BHMYIXYYMUSRMZ-UHFFFAOYSA-N 0 0 481.487 -0.020 20 5 JBBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000745861565 1068487976 /nfs/dbraw/zinc/48/79/76/1068487976.db2.gz PDSXRXRSKMLOIK-CYBMUJFWSA-N 0 0 465.481 -0.226 20 5 JBBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000745861566 1068488080 /nfs/dbraw/zinc/48/80/80/1068488080.db2.gz PDSXRXRSKMLOIK-ZDUSSCGKSA-N 0 0 465.481 -0.226 20 5 JBBDRN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000746176910 1068507874 /nfs/dbraw/zinc/50/78/74/1068507874.db2.gz JEHQHLJBUMEPPV-LLVKDONJSA-N 0 0 471.510 -0.443 20 5 JBBDRN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000746176911 1068489114 /nfs/dbraw/zinc/48/91/14/1068489114.db2.gz JEHQHLJBUMEPPV-NSHDSACASA-N 0 0 471.510 -0.443 20 5 JBBDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000746307464 1068489964 /nfs/dbraw/zinc/48/99/64/1068489964.db2.gz OINZUFPLQBUHEN-UHFFFAOYSA-N 0 0 477.565 -0.006 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)NCCS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000746516698 1068510570 /nfs/dbraw/zinc/51/05/70/1068510570.db2.gz XCDVSRWNUQKMNZ-UHFFFAOYSA-N 0 0 450.495 -0.336 20 5 JBBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000746606659 1068511133 /nfs/dbraw/zinc/51/11/33/1068511133.db2.gz DTVCVIMYHCNULZ-CYBMUJFWSA-N 0 0 459.452 -0.013 20 5 JBBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000746606661 1068511162 /nfs/dbraw/zinc/51/11/62/1068511162.db2.gz DTVCVIMYHCNULZ-ZDUSSCGKSA-N 0 0 459.452 -0.013 20 5 JBBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000746715725 1068511722 /nfs/dbraw/zinc/51/17/22/1068511722.db2.gz YQCVHTLQMXXWBN-UHFFFAOYSA-N 0 0 451.392 -0.203 20 5 JBBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000746716447 1068511414 /nfs/dbraw/zinc/51/14/14/1068511414.db2.gz OUXTXBJEGDZEQV-UHFFFAOYSA-N 0 0 472.480 -0.096 20 5 JBBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000746717064 1068511391 /nfs/dbraw/zinc/51/13/91/1068511391.db2.gz ZFCMLFBWOYGJKV-UHFFFAOYSA-N 0 0 459.437 -0.011 20 5 JBBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000747074323 1068516017 /nfs/dbraw/zinc/51/60/17/1068516017.db2.gz OHLIZFMJSCWMNY-KRWDZBQOSA-N 0 0 497.555 -0.090 20 5 JBBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000747074325 1068516220 /nfs/dbraw/zinc/51/62/20/1068516220.db2.gz OHLIZFMJSCWMNY-QGZVFWFLSA-N 0 0 497.555 -0.090 20 5 JBBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000747076329 1068515996 /nfs/dbraw/zinc/51/59/96/1068515996.db2.gz SDTQJUWHPXICSJ-UHFFFAOYSA-N 0 0 464.504 -0.029 20 5 JBBDRN CN1CCN(S(=O)(=O)N2CCN(Cn3nc(-c4cccc([N+](=O)[O-])c4)ccc3=O)CC2)CC1 ZINC000747076697 1068515758 /nfs/dbraw/zinc/51/57/58/1068515758.db2.gz XKMCYZBXPJPKPP-UHFFFAOYSA-N 0 0 477.547 -0.114 20 5 JBBDRN O=C(C(=O)N1CCN(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)CC1)N1CCOCC1 ZINC000747076726 1068516081 /nfs/dbraw/zinc/51/60/81/1068516081.db2.gz YJKBONCEXONPQL-UHFFFAOYSA-N 0 0 456.459 -0.221 20 5 JBBDRN COC(=O)c1cc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc([N+](=O)[O-])c1 ZINC000747669192 1068533372 /nfs/dbraw/zinc/53/33/72/1068533372.db2.gz GRHVVJALDWEHHG-HNNXBMFYSA-N 0 0 469.472 -0.131 20 5 JBBDRN COC(=O)c1cc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc([N+](=O)[O-])c1 ZINC000747669196 1068533564 /nfs/dbraw/zinc/53/35/64/1068533564.db2.gz GRHVVJALDWEHHG-OAHLLOKOSA-N 0 0 469.472 -0.131 20 5 JBBDRN O=C(COC(=O)c1cc[n+]([O-])cc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000747990489 1068544154 /nfs/dbraw/zinc/54/41/54/1068544154.db2.gz OSRDUEVNTRJLJR-UHFFFAOYSA-N 0 0 450.429 -0.082 20 5 JBBDRN O=C(COC(=O)c1cc[n+]([O-])cc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000747990741 1068543942 /nfs/dbraw/zinc/54/39/42/1068543942.db2.gz YETHNWSHJAVWQE-UHFFFAOYSA-N 0 0 450.429 -0.082 20 5 JBBDRN O=C(NCCS(=O)(=O)N1CCOCC1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000748044998 1068545197 /nfs/dbraw/zinc/54/51/97/1068545197.db2.gz DTSBENIMQDCEOR-KRWDZBQOSA-N 0 0 490.560 -0.084 20 5 JBBDRN O=C(NCCS(=O)(=O)N1CCOCC1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000748045000 1068545434 /nfs/dbraw/zinc/54/54/34/1068545434.db2.gz DTSBENIMQDCEOR-QGZVFWFLSA-N 0 0 490.560 -0.084 20 5 JBBDRN O=C(NCCS(=O)(=O)N1CCOCC1)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000748045689 1068545305 /nfs/dbraw/zinc/54/53/05/1068545305.db2.gz NEZDYMBRFZGFHN-HNNXBMFYSA-N 0 0 490.560 -0.226 20 5 JBBDRN O=C(NCCS(=O)(=O)N1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000748045691 1068545538 /nfs/dbraw/zinc/54/55/38/1068545538.db2.gz NEZDYMBRFZGFHN-OAHLLOKOSA-N 0 0 490.560 -0.226 20 5 JBBDRN Cc1cc(=O)c(C(=O)NCCS(=O)(=O)N2CCOCC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000748048240 1068546710 /nfs/dbraw/zinc/54/67/10/1068546710.db2.gz CGLUJMWDMVMKOZ-UHFFFAOYSA-N 0 0 451.461 -0.159 20 5 JBBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCS(=O)(=O)N1CCOCC1 ZINC000748060982 1067635281 /nfs/dbraw/zinc/63/52/81/1067635281.db2.gz KYHCDKCLJBHMPH-UHFFFAOYSA-N 0 0 450.495 -0.959 20 5 JBBDRN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000748061257 1067635072 /nfs/dbraw/zinc/63/50/72/1067635072.db2.gz ZPVBADCGUAOWKA-GFCCVEGCSA-N 0 0 464.522 -0.183 20 5 JBBDRN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000748061259 1067635273 /nfs/dbraw/zinc/63/52/73/1067635273.db2.gz ZPVBADCGUAOWKA-LBPRGKRZSA-N 0 0 464.522 -0.183 20 5 JBBDRN O=[N+]([O-])c1ccc(NCCS(=O)(=O)N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000748082316 1067640822 /nfs/dbraw/zinc/64/08/22/1067640822.db2.gz CLGVWKWGTFUSNA-UHFFFAOYSA-N 0 0 464.522 -0.310 20 5 JBBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCCS(=O)(=O)N1CCOCC1 ZINC000748082363 1067641011 /nfs/dbraw/zinc/64/10/11/1067641011.db2.gz FESIQEZWIHVMBG-UHFFFAOYSA-N 0 0 464.522 -0.310 20 5 JBBDRN C[NH+](C)CCNS(=O)(=O)c1ccc(NCCS(=O)(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000748082893 1067640202 /nfs/dbraw/zinc/64/02/02/1067640202.db2.gz LVQSFXWXBPRTQX-UHFFFAOYSA-N 0 0 465.554 -0.491 20 5 JBBDRN CN1CCN(S(=O)(=O)c2ccc(NCCS(=O)(=O)N3CCOCC3)c([N+](=O)[O-])c2)CC1 ZINC000748083494 1067640921 /nfs/dbraw/zinc/64/09/21/1067640921.db2.gz QLQAFEBVUHJTIP-UHFFFAOYSA-N 0 0 477.565 -0.395 20 5 JBBDRN CCS(=O)(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000748091221 1067643099 /nfs/dbraw/zinc/64/30/99/1067643099.db2.gz LXKFRBQKPAXYHU-UHFFFAOYSA-N 0 0 489.576 -0.605 20 5 JBBDRN CCS(=O)(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000748091246 1067643879 /nfs/dbraw/zinc/64/38/79/1067643879.db2.gz UIHARHGKTKSELF-UHFFFAOYSA-N 0 0 489.576 -0.605 20 5 JBBDRN O=C(NCCS(=O)(=O)N1CCOCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000748105372 1067647447 /nfs/dbraw/zinc/64/74/47/1067647447.db2.gz WQYAEPXSIGDQTC-UHFFFAOYSA-N 0 0 461.522 -0.214 20 5 JBBDRN O=C(NCCS(=O)(=O)N1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000748110824 1067649298 /nfs/dbraw/zinc/64/92/98/1067649298.db2.gz CMVIHLOTOMFUTC-UHFFFAOYSA-N 0 0 491.548 -0.727 20 5 JBBDRN O=C(NCCS(=O)(=O)N1CCOCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000748114468 1067651118 /nfs/dbraw/zinc/65/11/18/1067651118.db2.gz REHRUEDZDCYPIJ-UHFFFAOYSA-N 0 0 452.392 -0.087 20 5 JBBDRN O=C(COC(=O)C1=NNC(=O)CC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000748359922 1069110335 /nfs/dbraw/zinc/11/03/35/1069110335.db2.gz FRMBCQBTTYNOEK-UHFFFAOYSA-N 0 0 453.433 -0.763 20 5 JBBDRN O=C(COC(=O)C1=NNC(=O)CC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000748360049 1069110085 /nfs/dbraw/zinc/11/00/85/1069110085.db2.gz KCWWPCLGLYLFMG-UHFFFAOYSA-N 0 0 453.433 -0.763 20 5 JBBDRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000748374946 1069110393 /nfs/dbraw/zinc/11/03/93/1069110393.db2.gz HTVCLBMBMJWMGW-UHFFFAOYSA-N 0 0 464.479 -0.830 20 5 JBBDRN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000748377441 1069110061 /nfs/dbraw/zinc/11/00/61/1069110061.db2.gz RVILKSJOCXKAPE-KRWDZBQOSA-N 0 0 497.530 -0.732 20 5 JBBDRN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000748377442 1069110217 /nfs/dbraw/zinc/11/02/17/1069110217.db2.gz RVILKSJOCXKAPE-QGZVFWFLSA-N 0 0 497.530 -0.732 20 5 JBBDRN Cn1c2ncn(CCOC(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)c2c(=O)n(C)c1=O ZINC000748378432 1069110466 /nfs/dbraw/zinc/11/04/66/1069110466.db2.gz FMWXDWPWFMNGOW-UHFFFAOYSA-N 0 0 459.419 -0.616 20 5 JBBDRN CCN(C(=O)COC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000748379947 1069110281 /nfs/dbraw/zinc/11/02/81/1069110281.db2.gz PVDYZQCZWXUPBU-HNNXBMFYSA-N 0 0 456.477 -0.027 20 5 JBBDRN CCN(C(=O)COC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000748379955 1069110161 /nfs/dbraw/zinc/11/01/61/1069110161.db2.gz PVDYZQCZWXUPBU-OAHLLOKOSA-N 0 0 456.477 -0.027 20 5 JBBDRN C[C@@H](OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000748380484 1069110107 /nfs/dbraw/zinc/11/01/07/1069110107.db2.gz AUIDXDCFACCWOW-DOMZBBRYSA-N 0 0 456.477 -0.029 20 5 JBBDRN C[C@@H](OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000748380485 1069111471 /nfs/dbraw/zinc/11/14/71/1069111471.db2.gz AUIDXDCFACCWOW-IUODEOHRSA-N 0 0 456.477 -0.029 20 5 JBBDRN C[C@H](OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000748380486 1069111438 /nfs/dbraw/zinc/11/14/38/1069111438.db2.gz AUIDXDCFACCWOW-SWLSCSKDSA-N 0 0 456.477 -0.029 20 5 JBBDRN C[C@H](OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000748380488 1069111483 /nfs/dbraw/zinc/11/14/83/1069111483.db2.gz AUIDXDCFACCWOW-WFASDCNBSA-N 0 0 456.477 -0.029 20 5 JBBDRN Cn1cnc2c1c(=O)n(CCCOC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c(=O)n2C ZINC000748380845 1069110532 /nfs/dbraw/zinc/11/05/32/1069110532.db2.gz WCZIVDOEUJNNJT-UHFFFAOYSA-N 0 0 473.446 -0.225 20 5 JBBDRN Cn1cc(C(=O)C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000748431799 1069112280 /nfs/dbraw/zinc/11/22/80/1069112280.db2.gz DUBIWEWXYJSNSD-UHFFFAOYSA-N 0 0 465.444 -0.413 20 5 JBBDRN Cn1cc(C(=O)C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000748434598 1069113096 /nfs/dbraw/zinc/11/30/96/1069113096.db2.gz VDESJEDZCKFCSS-UHFFFAOYSA-N 0 0 465.444 -0.413 20 5 JBBDRN O=C(COC(=O)Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000748909782 1069117258 /nfs/dbraw/zinc/11/72/58/1069117258.db2.gz BBJSSUHAPIZRTQ-UHFFFAOYSA-N 0 0 494.482 -0.363 20 5 JBBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000748910989 1069117017 /nfs/dbraw/zinc/11/70/17/1069117017.db2.gz LFNYABVYJCCFAC-UHFFFAOYSA-N 0 0 478.483 -0.026 20 5 JBBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000748913361 1069117344 /nfs/dbraw/zinc/11/73/44/1069117344.db2.gz XBJHZZBWAXWKEK-UHFFFAOYSA-N 0 0 482.446 -0.028 20 5 JBBDRN O=C(COC(=O)Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000748915582 1069116904 /nfs/dbraw/zinc/11/69/04/1069116904.db2.gz AIWUTPIPTDMOSI-UHFFFAOYSA-N 0 0 494.482 -0.363 20 5 JBBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000748915590 1069117239 /nfs/dbraw/zinc/11/72/39/1069117239.db2.gz AMHMKMJHESUIMA-UHFFFAOYSA-N 0 0 482.446 -0.028 20 5 JBBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000748915705 1069117074 /nfs/dbraw/zinc/11/70/74/1069117074.db2.gz DBJAAAJNQRJUGM-UHFFFAOYSA-N 0 0 464.456 -0.167 20 5 JBBDRN Cn1ncc2c1ncnc2N1CCN(C(=O)COC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000748916135 1069118095 /nfs/dbraw/zinc/11/80/95/1069118095.db2.gz JQDPIUJRHXYSIP-UHFFFAOYSA-N 0 0 456.419 -0.675 20 5 JBBDRN O=C(COC(=O)Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000748916258 1069118135 /nfs/dbraw/zinc/11/81/35/1069118135.db2.gz GWOAXPQUKXBXGG-UHFFFAOYSA-N 0 0 480.455 -0.041 20 5 JBBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000748916630 1069117194 /nfs/dbraw/zinc/11/71/94/1069117194.db2.gz ISKPSLQOOSAHAE-CABCVRRESA-N 0 0 457.461 -0.506 20 5 JBBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000748916634 1069116853 /nfs/dbraw/zinc/11/68/53/1069116853.db2.gz ISKPSLQOOSAHAE-GJZGRUSLSA-N 0 0 457.461 -0.506 20 5 JBBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000748916636 1069117331 /nfs/dbraw/zinc/11/73/31/1069117331.db2.gz ISKPSLQOOSAHAE-HUUCEWRRSA-N 0 0 457.461 -0.506 20 5 JBBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000748916638 1069117235 /nfs/dbraw/zinc/11/72/35/1069117235.db2.gz ISKPSLQOOSAHAE-LSDHHAIUSA-N 0 0 457.461 -0.506 20 5 JBBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000748918339 1069118298 /nfs/dbraw/zinc/11/82/98/1069118298.db2.gz VKEVOBAAKIXRIJ-UHFFFAOYSA-N 0 0 482.446 -0.028 20 5 JBBDRN O=C(COC(=O)Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000748918357 1069118262 /nfs/dbraw/zinc/11/82/62/1069118262.db2.gz VZSPKBCSJCZKGK-UHFFFAOYSA-N 0 0 480.455 -0.041 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000748918464 1069118242 /nfs/dbraw/zinc/11/82/42/1069118242.db2.gz XEWBRNQLEVOPKT-UHFFFAOYSA-N 0 0 494.482 -0.159 20 5 JBBDRN O=C(CN1C(=O)CCC1=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000749111952 1069120075 /nfs/dbraw/zinc/12/00/75/1069120075.db2.gz CFPNVDYFLDNFDR-UHFFFAOYSA-N 0 0 468.444 -0.880 20 5 JBBDRN O=C(CN1C(=O)CCC1=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000749112657 1069120133 /nfs/dbraw/zinc/12/01/33/1069120133.db2.gz HTBVDDHSGHMPSG-UHFFFAOYSA-N 0 0 468.444 -0.880 20 5 JBBDRN O=C(Cn1ccccc1=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000749214412 1069158415 /nfs/dbraw/zinc/15/84/15/1069158415.db2.gz WDNXLKRGHOBNKF-UHFFFAOYSA-N 0 0 464.456 -0.167 20 5 JBBDRN O=C(Cn1ccccc1=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000749214528 1069158363 /nfs/dbraw/zinc/15/83/63/1069158363.db2.gz YZCVPOVPXBHDPL-UHFFFAOYSA-N 0 0 464.456 -0.167 20 5 JBBDRN O=C(CN1CCCC1=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000749554214 1069162659 /nfs/dbraw/zinc/16/26/59/1069162659.db2.gz CWYSDNVDUAEXLZ-UHFFFAOYSA-N 0 0 454.461 -0.407 20 5 JBBDRN O=C(CN1CCCC1=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000749555065 1069162448 /nfs/dbraw/zinc/16/24/48/1069162448.db2.gz QADBNDFWYLUBSQ-UHFFFAOYSA-N 0 0 454.461 -0.407 20 5 JBBDRN O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000749570960 1069163262 /nfs/dbraw/zinc/16/32/62/1069163262.db2.gz FJLZWQVCEXNPJX-UHFFFAOYSA-N 0 0 459.459 -0.135 20 5 JBBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCS(=O)(=O)N1CCOCC1 ZINC000749600500 1069164808 /nfs/dbraw/zinc/16/48/08/1069164808.db2.gz IWQOUMOAAFQZRX-UHFFFAOYSA-N 0 0 450.495 -0.959 20 5 JBBDRN O=C(C[C@@H]1CCS(=O)(=O)C1)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750005947 1069168211 /nfs/dbraw/zinc/16/82/11/1069168211.db2.gz XGWNKBYIXJZMPX-AWEZNQCLSA-N 0 0 489.528 -0.204 20 5 JBBDRN O=C(C[C@H]1CCS(=O)(=O)C1)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750005949 1069168372 /nfs/dbraw/zinc/16/83/72/1069168372.db2.gz XGWNKBYIXJZMPX-CQSZACIVSA-N 0 0 489.528 -0.204 20 5 JBBDRN O=C(C[C@@H]1CCS(=O)(=O)C1)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000750005963 1069168171 /nfs/dbraw/zinc/16/81/71/1069168171.db2.gz XPQWYLSJVOTCCA-AWEZNQCLSA-N 0 0 489.528 -0.204 20 5 JBBDRN O=C(C[C@H]1CCS(=O)(=O)C1)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000750005965 1069169003 /nfs/dbraw/zinc/16/90/03/1069169003.db2.gz XPQWYLSJVOTCCA-CQSZACIVSA-N 0 0 489.528 -0.204 20 5 JBBDRN CN(C)C(=O)Cn1cc(C(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])nn1 ZINC000750393897 1069171452 /nfs/dbraw/zinc/17/14/52/1069171452.db2.gz BCLCBOLWVJYAOY-UHFFFAOYSA-N 0 0 468.448 -0.485 20 5 JBBDRN CC(=O)N1CCC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000750427516 1069172128 /nfs/dbraw/zinc/17/21/28/1069172128.db2.gz CSZFUIPJFDWGCS-KRWDZBQOSA-N 0 0 468.488 -0.018 20 5 JBBDRN CC(=O)N1CCC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750429030 1069172070 /nfs/dbraw/zinc/17/20/70/1069172070.db2.gz OBWMXDAWEBLILB-KRWDZBQOSA-N 0 0 468.488 -0.018 20 5 JBBDRN Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1C ZINC000750620182 1069175193 /nfs/dbraw/zinc/17/51/93/1069175193.db2.gz LQFSIBCGPADVED-UHFFFAOYSA-N 0 0 480.503 -0.193 20 5 JBBDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000752634232 1069179261 /nfs/dbraw/zinc/17/92/61/1069179261.db2.gz DKRZOFRIACZIOX-CYBMUJFWSA-N 0 0 494.482 -0.935 20 5 JBBDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000752634239 1069179590 /nfs/dbraw/zinc/17/95/90/1069179590.db2.gz DKRZOFRIACZIOX-ZDUSSCGKSA-N 0 0 494.482 -0.935 20 5 JBBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000752635531 1069179598 /nfs/dbraw/zinc/17/95/98/1069179598.db2.gz NFYMHJPFXXKUMQ-KRWDZBQOSA-N 0 0 482.515 -0.411 20 5 JBBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000752635538 1069180217 /nfs/dbraw/zinc/18/02/17/1069180217.db2.gz NFYMHJPFXXKUMQ-QGZVFWFLSA-N 0 0 482.515 -0.411 20 5 JBBDRN CN1N=C(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCC1=O ZINC000753983140 1069183426 /nfs/dbraw/zinc/18/34/26/1069183426.db2.gz PXVVBGQHQJEBRE-UHFFFAOYSA-N 0 0 467.460 -0.421 20 5 JBBDRN CN1N=C(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCC1=O ZINC000753983201 1069183461 /nfs/dbraw/zinc/18/34/61/1069183461.db2.gz UHXRXQPOCDQHTF-UHFFFAOYSA-N 0 0 467.460 -0.421 20 5 JBBDRN Cn1c2ncn(CC(=O)OCC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2c(=O)n(C)c1=O ZINC000754809208 1069184020 /nfs/dbraw/zinc/18/40/20/1069184020.db2.gz IVRAPHHAXZWHDW-UHFFFAOYSA-N 0 0 485.457 -0.766 20 5 JBBDRN O=C(C[C@@H]1C=CS(=O)(=O)C1)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000756828846 1069185687 /nfs/dbraw/zinc/18/56/87/1069185687.db2.gz GDOXVAMQYNGCPH-AWEZNQCLSA-N 0 0 487.512 -0.081 20 5 JBBDRN O=C(C[C@H]1C=CS(=O)(=O)C1)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000756828851 1069185767 /nfs/dbraw/zinc/18/57/67/1069185767.db2.gz GDOXVAMQYNGCPH-CQSZACIVSA-N 0 0 487.512 -0.081 20 5 JBBDRN O=C(C[C@@H]1C=CS(=O)(=O)C1)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000756831370 1069186502 /nfs/dbraw/zinc/18/65/02/1069186502.db2.gz RTKNWRAZRIMISA-AWEZNQCLSA-N 0 0 487.512 -0.081 20 5 JBBDRN O=C(C[C@H]1C=CS(=O)(=O)C1)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000756831375 1069186432 /nfs/dbraw/zinc/18/64/32/1069186432.db2.gz RTKNWRAZRIMISA-CQSZACIVSA-N 0 0 487.512 -0.081 20 5 JBBDRN CC(=O)N1CCN(C(=O)COC(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)CC1 ZINC000768193613 1068507448 /nfs/dbraw/zinc/50/74/48/1068507448.db2.gz UCIHURHKTWFRJG-UHFFFAOYSA-N 0 0 485.519 -0.073 20 5 JBBDRN Cn1cnc2c1c(=O)n(CCCOC(=O)CN1C(=O)c3cccc([N+](=O)[O-])c3C1=O)c(=O)n2C ZINC000769199989 1068507268 /nfs/dbraw/zinc/50/72/68/1068507268.db2.gz KUJACWQXQGDRKN-UHFFFAOYSA-N 0 0 470.398 -0.429 20 5 JBBDRN Cn1cnc2c1c(=O)n(CCCOC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c(=O)n2C ZINC000781072835 1069187613 /nfs/dbraw/zinc/18/76/13/1069187613.db2.gz RKCKISNCKXZUFU-UHFFFAOYSA-N 0 0 465.444 -0.008 20 5 JBBDRN Cn1cnc2c1c(=O)n(CCCOC(=O)CN1C(=O)c3ccc([N+](=O)[O-])cc3C1=O)c(=O)n2C ZINC000782188243 1069188473 /nfs/dbraw/zinc/18/84/73/1069188473.db2.gz BHGVCENPGYGGNX-UHFFFAOYSA-N 0 0 470.398 -0.429 20 5 JBBDRN O=C(C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1)N1CCOCC1 ZINC000783670741 1069188500 /nfs/dbraw/zinc/18/85/00/1069188500.db2.gz PZMRZNQGOHSAIQ-UHFFFAOYSA-N 0 0 461.475 -0.425 20 5 JBBDRN O=C(C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CC1)N1CCOCC1 ZINC000784205300 1069188461 /nfs/dbraw/zinc/18/84/61/1069188461.db2.gz RMMCRAZRGSEMFX-UHFFFAOYSA-N 0 0 481.531 -0.113 20 5 JBBDRN CC(C)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1 ZINC000784248767 1069188265 /nfs/dbraw/zinc/18/82/65/1069188265.db2.gz XQQHGCVMLKDZQO-UHFFFAOYSA-N 0 0 469.520 -0.211 20 5 JBBDRN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000791263371 1068513565 /nfs/dbraw/zinc/51/35/65/1068513565.db2.gz WMLGGCWFFGEWOQ-KRWDZBQOSA-N 0 0 496.542 -0.081 20 5 JBBDRN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000791263378 1068513428 /nfs/dbraw/zinc/51/34/28/1068513428.db2.gz WMLGGCWFFGEWOQ-QGZVFWFLSA-N 0 0 496.542 -0.081 20 5 JBBDRN O=C(CCN1C(=O)CCC1=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000791759114 1068514159 /nfs/dbraw/zinc/51/41/59/1068514159.db2.gz PGUINGQGPJNEDC-UHFFFAOYSA-N 0 0 482.471 -0.490 20 5 JBBDRN O=C(CCN1C(=O)CCC1=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791759390 1068514196 /nfs/dbraw/zinc/51/41/96/1068514196.db2.gz QOQJCDKDYKKVJJ-UHFFFAOYSA-N 0 0 482.471 -0.490 20 5 JBBDRN O=C(COC(=O)[C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000791893138 1068514823 /nfs/dbraw/zinc/51/48/23/1068514823.db2.gz KEZHSZHXMLKHSJ-CYBMUJFWSA-N 0 0 475.501 -0.594 20 5 JBBDRN O=C(COC(=O)[C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000791893148 1068514883 /nfs/dbraw/zinc/51/48/83/1068514883.db2.gz KEZHSZHXMLKHSJ-ZDUSSCGKSA-N 0 0 475.501 -0.594 20 5 JBBDRN O=C(COC(=O)[C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791893583 1068514694 /nfs/dbraw/zinc/51/46/94/1068514694.db2.gz RHRAOVGKYYELQI-CYBMUJFWSA-N 0 0 475.501 -0.594 20 5 JBBDRN O=C(COC(=O)[C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791893586 1068514793 /nfs/dbraw/zinc/51/47/93/1068514793.db2.gz RHRAOVGKYYELQI-ZDUSSCGKSA-N 0 0 475.501 -0.594 20 5 JBBDRN COc1ccc(C(=O)NCC(=O)OCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1[N+](=O)[O-] ZINC000792975497 1068518656 /nfs/dbraw/zinc/51/86/56/1068518656.db2.gz APAPXINXPQLFOC-UHFFFAOYSA-N 0 0 474.430 -0.286 20 5 JBBDRN CCN(C(=O)COC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000792983135 1068518427 /nfs/dbraw/zinc/51/84/27/1068518427.db2.gz DSSHWTBUCLXWBJ-CYBMUJFWSA-N 0 0 457.461 -0.088 20 5 JBBDRN CCN(C(=O)COC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000792983138 1068518480 /nfs/dbraw/zinc/51/84/80/1068518480.db2.gz DSSHWTBUCLXWBJ-ZDUSSCGKSA-N 0 0 457.461 -0.088 20 5 JBBDRN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000795505265 1069052068 /nfs/dbraw/zinc/05/20/68/1069052068.db2.gz KYYHITRKZYZMFZ-INIZCTEOSA-N 0 0 468.488 -0.801 20 5 JBBDRN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000795505284 1069052083 /nfs/dbraw/zinc/05/20/83/1069052083.db2.gz KYYHITRKZYZMFZ-MRXNPFEDSA-N 0 0 468.488 -0.801 20 5 JBBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)OCC(=O)N2CCNC(=O)C2)c([N+](=O)[O-])c1 ZINC000797115843 1069189320 /nfs/dbraw/zinc/18/93/20/1069189320.db2.gz VXGJVUYMUMEEHN-UHFFFAOYSA-N 0 0 472.476 -0.494 20 5 JBBDRN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1=O ZINC000798191009 1069190043 /nfs/dbraw/zinc/19/00/43/1069190043.db2.gz XTVYXOPKXAEVIT-NRFANRHFSA-N 0 0 474.474 -0.678 20 5 JBBDRN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1=O ZINC000798191010 1069190053 /nfs/dbraw/zinc/19/00/53/1069190053.db2.gz XTVYXOPKXAEVIT-OAQYLSRUSA-N 0 0 474.474 -0.678 20 5 JBBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)OCC(=O)N2CCNC(=O)C2)CC1 ZINC000800376253 1069101072 /nfs/dbraw/zinc/10/10/72/1069101072.db2.gz AEJICHNPRIDODV-UHFFFAOYSA-N 0 0 468.488 -0.194 20 5 JBBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000804169963 1068428346 /nfs/dbraw/zinc/42/83/46/1068428346.db2.gz JPXYPJJYFRUNDM-AWEZNQCLSA-N 0 0 482.471 -0.623 20 5 JBBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000804169964 1068429700 /nfs/dbraw/zinc/42/97/00/1068429700.db2.gz JPXYPJJYFRUNDM-CQSZACIVSA-N 0 0 482.471 -0.623 20 5 JBBDRN O=C(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000804195743 1068429462 /nfs/dbraw/zinc/42/94/62/1068429462.db2.gz QRYJZPCSSQTHKF-CYBMUJFWSA-N 0 0 469.472 -0.146 20 5 JBBDRN O=C(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000804195744 1068429488 /nfs/dbraw/zinc/42/94/88/1068429488.db2.gz QRYJZPCSSQTHKF-ZDUSSCGKSA-N 0 0 469.472 -0.146 20 5 JBBDRN O=C(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000804337807 1068502511 /nfs/dbraw/zinc/50/25/11/1068502511.db2.gz ARLKIIAWCHZVFQ-GFCCVEGCSA-N 0 0 455.445 -0.188 20 5 JBBDRN O=C(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000804337808 1068502398 /nfs/dbraw/zinc/50/23/98/1068502398.db2.gz ARLKIIAWCHZVFQ-LBPRGKRZSA-N 0 0 455.445 -0.188 20 5 JBBDRN CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000805153690 1068523446 /nfs/dbraw/zinc/52/34/46/1068523446.db2.gz ROSMWXKMEQSGLG-UHFFFAOYSA-N 0 0 491.501 -0.078 20 5 JBBDRN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000805155346 1068523269 /nfs/dbraw/zinc/52/32/69/1068523269.db2.gz ZHFOHSQETFCOTF-HNNXBMFYSA-N 0 0 496.498 -0.805 20 5 JBBDRN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000805155347 1068523409 /nfs/dbraw/zinc/52/34/09/1068523409.db2.gz ZHFOHSQETFCOTF-OAHLLOKOSA-N 0 0 496.498 -0.805 20 5 JBBDRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000805155415 1068523293 /nfs/dbraw/zinc/52/32/93/1068523293.db2.gz BRDOJLOMMGZJPG-UHFFFAOYSA-N 0 0 463.447 -0.904 20 5 JBBDRN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000808499265 1068528652 /nfs/dbraw/zinc/52/86/52/1068528652.db2.gz QJTVIEQZLAJBAL-AWEZNQCLSA-N 0 0 494.482 -0.935 20 5 JBBDRN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000808499266 1068528474 /nfs/dbraw/zinc/52/84/74/1068528474.db2.gz QJTVIEQZLAJBAL-CQSZACIVSA-N 0 0 494.482 -0.935 20 5 JBBDRN Cn1cc(/C=C\C(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=O)n(C)c1=O ZINC000809247913 1068529729 /nfs/dbraw/zinc/52/97/29/1068529729.db2.gz INTAJPYBRYUMNH-BAQGIRSFSA-N 0 0 457.443 -0.103 20 5 JBBDRN Cn1cc(/C=C\C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(=O)n(C)c1=O ZINC000809748953 1068531525 /nfs/dbraw/zinc/53/15/25/1068531525.db2.gz HSKBBULZBPUFPT-BAQGIRSFSA-N 0 0 463.472 -0.462 20 5 JBBDRN Cn1cc(/C=C\C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c(=O)n(C)c1=O ZINC000809749133 1068531435 /nfs/dbraw/zinc/53/14/35/1068531435.db2.gz KHZXXFIYXAUQQR-FPLPWBNLSA-N 0 0 463.472 -0.462 20 5 JBBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000809750281 1068531782 /nfs/dbraw/zinc/53/17/82/1068531782.db2.gz XDDUUIXKODCYIZ-ALCCZGGFSA-N 0 0 477.499 -0.153 20 5 JBBDRN Cn1cc(/C=C\C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c(=O)n(C)c1=O ZINC000810464304 1068532996 /nfs/dbraw/zinc/53/29/96/1068532996.db2.gz YEIJEJJJZOOXGG-SREVYHEPSA-N 0 0 463.472 -0.462 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C\c3cn(C)c(=O)n(C)c3=O)CC2)cc1[N+](=O)[O-] ZINC000810489053 1068533059 /nfs/dbraw/zinc/53/30/59/1068533059.db2.gz DZYVXKWZGAQRBQ-DAXSKMNVSA-N 0 0 493.498 -0.453 20 5 JBBDRN Cn1cc(/C=C\C(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)c(=O)n(C)c1=O ZINC000810539470 1068532841 /nfs/dbraw/zinc/53/28/41/1068532841.db2.gz QHFBJRDBVOGXKD-DAXSKMNVSA-N 0 0 477.499 -0.242 20 5 JBBDRN Cn1cc(/C=C/C(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)c(=O)n(C)c1=O ZINC000810539478 1068533044 /nfs/dbraw/zinc/53/30/44/1068533044.db2.gz QHFBJRDBVOGXKD-QPJJXVBHSA-N 0 0 477.499 -0.242 20 5 JBBDRN Cn1cc(/C=C\C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c(=O)n(C)c1=O ZINC000810628354 1068533023 /nfs/dbraw/zinc/53/30/23/1068533023.db2.gz FLWXDXAHFAKCFG-DAXSKMNVSA-N 0 0 451.461 -0.363 20 5 JBBDRN CC(=O)N1CCN(C(=O)COC(=O)CNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000819879210 1068553618 /nfs/dbraw/zinc/55/36/18/1068553618.db2.gz KVQBWAUIOISETF-UHFFFAOYSA-N 0 0 462.868 -0.240 20 5 JBBDRN COc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000824862633 1068566753 /nfs/dbraw/zinc/56/67/53/1068566753.db2.gz GEXMBOQFLIQASW-HNNXBMFYSA-N 0 0 498.514 -0.792 20 5 JBBDRN COc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000824862634 1068566782 /nfs/dbraw/zinc/56/67/82/1068566782.db2.gz GEXMBOQFLIQASW-OAHLLOKOSA-N 0 0 498.514 -0.792 20 5 JBBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000825366647 1068568852 /nfs/dbraw/zinc/56/88/52/1068568852.db2.gz CXJKWNLQBLDBFX-JTQLQIEISA-N 0 0 460.403 -0.079 20 5 JBBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000825366652 1068568992 /nfs/dbraw/zinc/56/89/92/1068568992.db2.gz CXJKWNLQBLDBFX-SNVBAGLBSA-N 0 0 460.403 -0.079 20 5 JBBDRN Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)c(=O)n2C ZINC000825366984 1068568824 /nfs/dbraw/zinc/56/88/24/1068568824.db2.gz VHVQKCGOCAZLTC-UHFFFAOYSA-N 0 0 485.457 -0.766 20 5 JBBDRN CCOc1ccc(NC(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c([N+](=O)[O-])c1 ZINC000825375938 1068569632 /nfs/dbraw/zinc/56/96/32/1068569632.db2.gz UPSXANGKHGWLPL-UHFFFAOYSA-N 0 0 460.403 -0.078 20 5 JBBDRN Cn1ncc2c1ncnc2N1CCN(C(=O)COC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000827591177 1069128910 /nfs/dbraw/zinc/12/89/10/1069128910.db2.gz KRHARDBIRCIPOV-UHFFFAOYSA-N 0 0 482.457 -0.107 20 5 JBBDRN NS(=O)(=O)c1ccc(N2CCC(C(=O)OCC(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000842828865 1069236254 /nfs/dbraw/zinc/23/62/54/1069236254.db2.gz JWUJOXHDGJPYEJ-UHFFFAOYSA-N 0 0 456.477 -0.139 20 5 JBBDRN O=C(COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000844198946 1068572477 /nfs/dbraw/zinc/57/24/77/1068572477.db2.gz ORDYDUYLDAWGHK-UHFFFAOYSA-N 0 0 476.471 -0.244 20 5 JBBDRN CNc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)N2CCN(C(C)=O)CC2)cc1[N+](=O)[O-] ZINC000853153348 1068975840 /nfs/dbraw/zinc/97/58/40/1068975840.db2.gz NIBLHXBYNQBNOR-GFCCVEGCSA-N 0 0 471.492 -0.463 20 5 JBBDRN CNc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)cc1[N+](=O)[O-] ZINC000853153349 1068975895 /nfs/dbraw/zinc/97/58/95/1068975895.db2.gz NIBLHXBYNQBNOR-LBPRGKRZSA-N 0 0 471.492 -0.463 20 5 JBBDRN O=C(COC(=O)CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)NCC(=O)N1CCCC1 ZINC000853605856 1068975788 /nfs/dbraw/zinc/97/57/88/1068975788.db2.gz MIEXAOJVLYOPMA-UHFFFAOYSA-N 0 0 497.530 -0.245 20 5 JBBDRN CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCC(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000853670199 1068975701 /nfs/dbraw/zinc/97/57/01/1068975701.db2.gz ZRBGSEPQVZCIFY-UHFFFAOYSA-N 0 0 474.517 -0.123 20 5 JBBDRN Cn1c2ncn(CCC(=O)OCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)c2c(=O)n(C)c1=O ZINC000857837338 1068992275 /nfs/dbraw/zinc/99/22/75/1068992275.db2.gz GNSXWKWNAPDZJP-UHFFFAOYSA-N 0 0 456.415 -0.136 20 5 JBBDRN Cc1nn(C)c(=O)c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1C ZINC000878588556 1069015346 /nfs/dbraw/zinc/01/53/46/1069015346.db2.gz KKPBAQTXIBKEFT-UHFFFAOYSA-N 0 0 493.498 -0.005 20 5 JBBDRN Cc1nn(C)c(=O)c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000878588655 1069015324 /nfs/dbraw/zinc/01/53/24/1069015324.db2.gz OIOVEESVJYUNPJ-UHFFFAOYSA-N 0 0 493.498 -0.005 20 5 JBBDRN CN1CC[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1=O ZINC000912704009 1068000610 /nfs/dbraw/zinc/00/06/10/1068000610.db2.gz VTRAHOLNZBJIEZ-AWEZNQCLSA-N 0 0 468.488 -0.161 20 5 JBBDRN CN1CC[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1=O ZINC000912704010 1068000546 /nfs/dbraw/zinc/00/05/46/1068000546.db2.gz VTRAHOLNZBJIEZ-CQSZACIVSA-N 0 0 468.488 -0.161 20 5 JBBDRN CN1CC[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1=O ZINC000912704021 1068000642 /nfs/dbraw/zinc/00/06/42/1068000642.db2.gz WIRWMLBMTHCGSH-AWEZNQCLSA-N 0 0 468.488 -0.161 20 5 JBBDRN CN1CC[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1=O ZINC000912704022 1068000593 /nfs/dbraw/zinc/00/05/93/1068000593.db2.gz WIRWMLBMTHCGSH-CQSZACIVSA-N 0 0 468.488 -0.161 20 5 JBBDRN CN(C)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000913047296 1068002228 /nfs/dbraw/zinc/00/22/28/1068002228.db2.gz QXLSZOGAEVHJFH-UHFFFAOYSA-N 0 0 463.538 -0.456 20 5 JBBDRN CNc1ccc(S(=O)(=O)NCC(=O)OCCn2nc3ccccn3c2=O)cc1[N+](=O)[O-] ZINC000913214548 1068003612 /nfs/dbraw/zinc/00/36/12/1068003612.db2.gz CAYRKENSAUEBOE-UHFFFAOYSA-N 0 0 450.433 -0.032 20 5 JBBDRN O=C(COC(=O)Cn1cc([N+](=O)[O-])cn1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000913301504 1068004909 /nfs/dbraw/zinc/00/49/09/1068004909.db2.gz ALHQSESTWUNJNB-UHFFFAOYSA-N 0 0 467.460 -0.328 20 5 JBBDRN O=C(Cn1cc([N+](=O)[O-])cn1)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000913301522 1068004960 /nfs/dbraw/zinc/00/49/60/1068004960.db2.gz CZANGKQDAHCEBY-UHFFFAOYSA-N 0 0 495.470 -0.361 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1OC ZINC000913301602 1068004850 /nfs/dbraw/zinc/00/48/50/1068004850.db2.gz LXYCXRMYHSCCMU-UHFFFAOYSA-N 0 0 497.486 -0.115 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000913301661 1068004864 /nfs/dbraw/zinc/00/48/64/1068004864.db2.gz RMVXRXAXYGZIIE-UHFFFAOYSA-N 0 0 467.460 -0.124 20 5 JBBDRN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)COC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000913301667 1068005055 /nfs/dbraw/zinc/00/50/55/1068005055.db2.gz RZCLKLZWGYGAHQ-UHFFFAOYSA-N 0 0 497.486 -0.115 20 5 JBBDRN O=C(COC(=O)Cn1cc([N+](=O)[O-])cn1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000913301675 1068004833 /nfs/dbraw/zinc/00/48/33/1068004833.db2.gz SNJJAESYCXFFSX-UHFFFAOYSA-N 0 0 453.433 -0.006 20 5 JBBDRN O=C(COC(=O)Cn1cc([N+](=O)[O-])cn1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000913301699 1068004943 /nfs/dbraw/zinc/00/49/43/1068004943.db2.gz VSCHBLHSIBOMSJ-UHFFFAOYSA-N 0 0 453.433 -0.006 20 5 JBBDRN O=C(COC(=O)Cn1cc([N+](=O)[O-])cn1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000913303044 1068005267 /nfs/dbraw/zinc/00/52/67/1068005267.db2.gz NBAOZNZNRKNWSX-UHFFFAOYSA-N 0 0 467.460 -0.328 20 5 JBBDRN O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCNC(=O)C1 ZINC000913328165 1068005317 /nfs/dbraw/zinc/00/53/17/1068005317.db2.gz XVGMRXLBEUZDKQ-HNNXBMFYSA-N 0 0 454.461 -0.360 20 5 JBBDRN O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCNC(=O)C1 ZINC000913328166 1068005253 /nfs/dbraw/zinc/00/52/53/1068005253.db2.gz XVGMRXLBEUZDKQ-OAHLLOKOSA-N 0 0 454.461 -0.360 20 5 JBBDRN CCn1ccc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1=O ZINC000913548939 1068008118 /nfs/dbraw/zinc/00/81/18/1068008118.db2.gz CRYPQVDEIJYYFX-UHFFFAOYSA-N 0 0 451.461 -0.529 20 5 JBBDRN CCn1ccc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1=O ZINC000913549619 1068008308 /nfs/dbraw/zinc/00/83/08/1068008308.db2.gz YPMUMPVUJCSSGV-UHFFFAOYSA-N 0 0 451.461 -0.529 20 5 JBBDRN CC1(C)NC(=O)N(CCS(=O)(=O)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000914473201 1068082027 /nfs/dbraw/zinc/08/20/27/1068082027.db2.gz QVEOHIGSYUYAHW-UHFFFAOYSA-N 0 0 467.504 -0.011 20 5 JBBDRN O=C(CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)OCCN1C(=O)CNC1=O ZINC000914615379 1068083754 /nfs/dbraw/zinc/08/37/54/1068083754.db2.gz FSKHXBHVLBUARO-UHFFFAOYSA-N 0 0 455.449 -0.432 20 5 JBBDRN O=C(COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000914652055 1068086876 /nfs/dbraw/zinc/08/68/76/1068086876.db2.gz SRJAQOZIYKABQV-CRAIPNDOSA-N 0 0 494.526 -0.178 20 5 JBBDRN O=C(COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000914652056 1068086958 /nfs/dbraw/zinc/08/69/58/1068086958.db2.gz SRJAQOZIYKABQV-MAUKXSAKSA-N 0 0 494.526 -0.178 20 5 JBBDRN O=C(COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000914652057 1068086850 /nfs/dbraw/zinc/08/68/50/1068086850.db2.gz SRJAQOZIYKABQV-QAPCUYQASA-N 0 0 494.526 -0.178 20 5 JBBDRN O=C(COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000914652058 1068086906 /nfs/dbraw/zinc/08/69/06/1068086906.db2.gz SRJAQOZIYKABQV-YJBOKZPZSA-N 0 0 494.526 -0.178 20 5 JBBDRN COCCN1C[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1=O ZINC000914661560 1068090412 /nfs/dbraw/zinc/09/04/12/1068090412.db2.gz BHEKGRRYOMBGQQ-HNNXBMFYSA-N 0 0 498.514 -0.534 20 5 JBBDRN COCCN1C[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1=O ZINC000914661561 1068090619 /nfs/dbraw/zinc/09/06/19/1068090619.db2.gz BHEKGRRYOMBGQQ-OAHLLOKOSA-N 0 0 498.514 -0.534 20 5 JBBDRN COCCN1C[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1=O ZINC000914664650 1068091915 /nfs/dbraw/zinc/09/19/15/1068091915.db2.gz XZSCDISWDLPAMP-HNNXBMFYSA-N 0 0 498.514 -0.534 20 5 JBBDRN COCCN1C[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1=O ZINC000914664651 1068091774 /nfs/dbraw/zinc/09/17/74/1068091774.db2.gz XZSCDISWDLPAMP-OAHLLOKOSA-N 0 0 498.514 -0.534 20 5 JBBDRN CCC(=O)N[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000914674548 1068092159 /nfs/dbraw/zinc/09/21/59/1068092159.db2.gz NVVUQCHKWBDYRR-CYBMUJFWSA-N 0 0 456.477 -0.114 20 5 JBBDRN CCC(=O)N[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000914674549 1068092224 /nfs/dbraw/zinc/09/22/24/1068092224.db2.gz NVVUQCHKWBDYRR-ZDUSSCGKSA-N 0 0 456.477 -0.114 20 5 JBBDRN CCC(=O)N[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000914675400 1068092126 /nfs/dbraw/zinc/09/21/26/1068092126.db2.gz WCUSYANWJIASRP-CYBMUJFWSA-N 0 0 456.477 -0.114 20 5 JBBDRN CCC(=O)N[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000914675403 1068092862 /nfs/dbraw/zinc/09/28/62/1068092862.db2.gz WCUSYANWJIASRP-ZDUSSCGKSA-N 0 0 456.477 -0.114 20 5 JBBDRN NS(=O)(=O)N1CCC(C(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000914900267 1068096946 /nfs/dbraw/zinc/09/69/46/1068096946.db2.gz WNTPXMDHMWNNJT-UHFFFAOYSA-N 0 0 455.493 -0.298 20 5 JBBDRN CCN1C[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1=O ZINC000914910119 1068098371 /nfs/dbraw/zinc/09/83/71/1068098371.db2.gz DMUNNZHEDGQITI-AWEZNQCLSA-N 0 0 468.488 -0.161 20 5 JBBDRN CCN1C[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1=O ZINC000914910120 1068098278 /nfs/dbraw/zinc/09/82/78/1068098278.db2.gz DMUNNZHEDGQITI-CQSZACIVSA-N 0 0 468.488 -0.161 20 5 JBBDRN CCN1C[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1=O ZINC000914910606 1068098419 /nfs/dbraw/zinc/09/84/19/1068098419.db2.gz KEBFGUPACMIEJF-AWEZNQCLSA-N 0 0 468.488 -0.161 20 5 JBBDRN CCN1C[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1=O ZINC000914910608 1068098314 /nfs/dbraw/zinc/09/83/14/1068098314.db2.gz KEBFGUPACMIEJF-CQSZACIVSA-N 0 0 468.488 -0.161 20 5 JBBDRN CN1C[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1=O ZINC000914919109 1068098262 /nfs/dbraw/zinc/09/82/62/1068098262.db2.gz JMTDNYCDURROST-CYBMUJFWSA-N 0 0 454.461 -0.551 20 5 JBBDRN CN1C[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1=O ZINC000914919247 1068098327 /nfs/dbraw/zinc/09/83/27/1068098327.db2.gz JMTDNYCDURROST-ZDUSSCGKSA-N 0 0 454.461 -0.551 20 5 JBBDRN CN1C[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1=O ZINC000914920147 1068098943 /nfs/dbraw/zinc/09/89/43/1068098943.db2.gz UIEOGESWIPGIKZ-CYBMUJFWSA-N 0 0 454.461 -0.551 20 5 JBBDRN CN1C[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1=O ZINC000914920149 1068099047 /nfs/dbraw/zinc/09/90/47/1068099047.db2.gz UIEOGESWIPGIKZ-ZDUSSCGKSA-N 0 0 454.461 -0.551 20 5 JBBDRN CN(CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ncccn1 ZINC000914927713 1068098989 /nfs/dbraw/zinc/09/89/89/1068098989.db2.gz GRRWDYMVPLJYMW-UHFFFAOYSA-N 0 0 478.487 -0.103 20 5 JBBDRN CN(CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ncccn1 ZINC000914928638 1068099943 /nfs/dbraw/zinc/09/99/43/1068099943.db2.gz NAMLCQYGJJVWEG-UHFFFAOYSA-N 0 0 478.487 -0.103 20 5 JBBDRN CCCC(=O)NCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000914986676 1068100620 /nfs/dbraw/zinc/10/06/20/1068100620.db2.gz GRHMESKISOALFM-UHFFFAOYSA-N 0 0 456.477 -0.113 20 5 JBBDRN CCCC(=O)NCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000914987021 1068100668 /nfs/dbraw/zinc/10/06/68/1068100668.db2.gz NTNHAWPIZVLUES-UHFFFAOYSA-N 0 0 456.477 -0.113 20 5 JBBDRN O=C(CNC(=O)C1CC1)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915015615 1068101812 /nfs/dbraw/zinc/10/18/12/1068101812.db2.gz QNYBONQKTOVSNB-UHFFFAOYSA-N 0 0 454.461 -0.503 20 5 JBBDRN O=C(CNC(=O)C1CC1)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000915015660 1068101887 /nfs/dbraw/zinc/10/18/87/1068101887.db2.gz UHPRAXIPHMVXIM-UHFFFAOYSA-N 0 0 454.461 -0.503 20 5 JBBDRN CN1CCN(S(=O)(=O)N2CCN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)CC1 ZINC000915207428 1068103954 /nfs/dbraw/zinc/10/39/54/1068103954.db2.gz AJQWOAQAEPVJCG-UHFFFAOYSA-N 0 0 450.525 -0.079 20 5 JBBDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC000915292888 1068108711 /nfs/dbraw/zinc/10/87/11/1068108711.db2.gz XDZVVAWAKONXQZ-UHFFFAOYSA-N 0 0 451.509 -0.419 20 5 JBBDRN O=C(CN1CCCNC1=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000915432814 1068114122 /nfs/dbraw/zinc/11/41/22/1068114122.db2.gz GGSNDEXXHXCXRI-UHFFFAOYSA-N 0 0 469.476 -0.614 20 5 JBBDRN O=C(CN1CCCNC1=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915434314 1068115032 /nfs/dbraw/zinc/11/50/32/1068115032.db2.gz PQJMINUITZWSKX-UHFFFAOYSA-N 0 0 469.476 -0.614 20 5 JBBDRN O=C(CN1CCCCC1=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000915457071 1068115548 /nfs/dbraw/zinc/11/55/48/1068115548.db2.gz HWWMBMVMBQTIAR-UHFFFAOYSA-N 0 0 468.488 -0.017 20 5 JBBDRN O=C(CN1CCCCC1=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915458042 1068115575 /nfs/dbraw/zinc/11/55/75/1068115575.db2.gz QDERZURKXYDVDC-UHFFFAOYSA-N 0 0 468.488 -0.017 20 5 JBBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000915520944 1068119362 /nfs/dbraw/zinc/11/93/62/1068119362.db2.gz FDJUAZLAMZWCQL-INIZCTEOSA-N 0 0 465.488 -0.181 20 5 JBBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000915520945 1068119579 /nfs/dbraw/zinc/11/95/79/1068119579.db2.gz FDJUAZLAMZWCQL-MRXNPFEDSA-N 0 0 465.488 -0.181 20 5 JBBDRN O=C(CCCN1C(=O)CCC1=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915558929 1068121610 /nfs/dbraw/zinc/12/16/10/1068121610.db2.gz VYZCHMKKYDLGHA-UHFFFAOYSA-N 0 0 496.498 -0.100 20 5 JBBDRN O=C(CCCN1C(=O)CCC1=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000915559070 1068121528 /nfs/dbraw/zinc/12/15/28/1068121528.db2.gz XYITUFMEWCWSOX-UHFFFAOYSA-N 0 0 496.498 -0.100 20 5 JBBDRN COCCS(=O)(=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000915635791 1068122531 /nfs/dbraw/zinc/12/25/31/1068122531.db2.gz PAPHWNKSFSRDSE-UHFFFAOYSA-N 0 0 465.506 -0.503 20 5 JBBDRN CS(=O)(=O)CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000916148288 1068130695 /nfs/dbraw/zinc/13/06/95/1068130695.db2.gz SJJJJTSPENQFJN-UHFFFAOYSA-N 0 0 462.550 -0.218 20 5 JBBDRN Cn1c2ncn(CCOC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2c(=O)n(C)c1=O ZINC000916397542 1068136175 /nfs/dbraw/zinc/13/61/75/1068136175.db2.gz LSSGMAYAHOHGIB-UHFFFAOYSA-N 0 0 456.371 -0.819 20 5 JBBDRN Cn1c2ncn(CCOC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)c2c(=O)n(C)c1=O ZINC000916411704 1068136307 /nfs/dbraw/zinc/13/63/07/1068136307.db2.gz PZOJILFBQVEHIA-UHFFFAOYSA-N 0 0 451.417 -0.398 20 5 JBBDRN Cn1c2ncn(CCOC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)c2c(=O)n(C)c1=O ZINC000916432613 1068137476 /nfs/dbraw/zinc/13/74/76/1068137476.db2.gz LLFSAYAMKNVPNP-UHFFFAOYSA-N 0 0 456.371 -0.819 20 5 JBBDRN COc1ccc(C(=O)NCC(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1[N+](=O)[O-] ZINC000916466041 1068138892 /nfs/dbraw/zinc/13/88/92/1068138892.db2.gz BDTCNBVXOJKZAF-UHFFFAOYSA-N 0 0 460.403 -0.676 20 5 JBBDRN C[C@H](C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000916505282 1068140768 /nfs/dbraw/zinc/14/07/68/1068140768.db2.gz XCJJYKNHXRGNIQ-SNVBAGLBSA-N 0 0 470.398 -0.430 20 5 JBBDRN CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N(C)CC(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000916558577 1068141879 /nfs/dbraw/zinc/14/18/79/1068141879.db2.gz XJKHMRQUXJBDGJ-UHFFFAOYSA-N 0 0 470.552 -0.074 20 5 JBBDRN CCN(CC)S(=O)(=O)c1ccc(OC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c([N+](=O)[O-])c1 ZINC000916958747 1068150498 /nfs/dbraw/zinc/15/04/98/1068150498.db2.gz AXSNSVXLOFWSFY-UHFFFAOYSA-N 0 0 494.486 -0.022 20 5 JBBDRN CCN(CC)S(=O)(=O)c1ccc(OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c([N+](=O)[O-])c1 ZINC000916959634 1068150597 /nfs/dbraw/zinc/15/05/97/1068150597.db2.gz MJJAZJVJDDBVEK-UHFFFAOYSA-N 0 0 494.486 -0.022 20 5 JBBDRN Cn1cc(/C=C\C(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c(=O)n(C)c1=O ZINC000916959928 1068150610 /nfs/dbraw/zinc/15/06/10/1068150610.db2.gz FKORBDITFBYSBE-UTCJRWHESA-N 0 0 480.455 -0.368 20 5 JBBDRN Cn1cc(/C=C/C(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c(=O)n(C)c1=O ZINC000916959929 1068150735 /nfs/dbraw/zinc/15/07/35/1068150735.db2.gz FKORBDITFBYSBE-ZZXKWVIFSA-N 0 0 480.455 -0.368 20 5 JBBDRN CCN1CCN(CC(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C(=O)C1=O ZINC000916960099 1068150661 /nfs/dbraw/zinc/15/06/61/1068150661.db2.gz CVVHDZCDSNGQMR-UHFFFAOYSA-N 0 0 470.460 -0.788 20 5 JBBDRN Cn1ncc2c1ncn(CC(=O)Oc1ccc(S(=O)(=O)N3CCOCC3)cc1[N+](=O)[O-])c2=O ZINC000916960890 1068150547 /nfs/dbraw/zinc/15/05/47/1068150547.db2.gz MCNYFPMPIMITQP-UHFFFAOYSA-N 0 0 478.443 -0.335 20 5 JBBDRN CS(=O)(=O)N1CCC[C@@H]1C(=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000916961187 1068151487 /nfs/dbraw/zinc/15/14/87/1068151487.db2.gz OUQUCKZFJCFUTO-CYBMUJFWSA-N 0 0 463.490 -0.055 20 5 JBBDRN CS(=O)(=O)N1CCC[C@H]1C(=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000916961190 1068151520 /nfs/dbraw/zinc/15/15/20/1068151520.db2.gz OUQUCKZFJCFUTO-ZDUSSCGKSA-N 0 0 463.490 -0.055 20 5 JBBDRN Cn1c(=O)ccn(CC(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1=O ZINC000916961203 1068151495 /nfs/dbraw/zinc/15/14/95/1068151495.db2.gz OYXGIXQDJVMRIE-UHFFFAOYSA-N 0 0 454.417 -0.918 20 5 JBBDRN O=C(CCCN1C(=O)CNC1=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000916962269 1068151524 /nfs/dbraw/zinc/15/15/24/1068151524.db2.gz LLVIMFDXKJICGS-UHFFFAOYSA-N 0 0 456.433 -0.147 20 5 JBBDRN CN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000916990597 1068151411 /nfs/dbraw/zinc/15/14/11/1068151411.db2.gz JJGLNARVBOSSLI-UHFFFAOYSA-N 0 0 470.851 -0.157 20 5 JBBDRN CN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000916990630 1068152117 /nfs/dbraw/zinc/15/21/17/1068152117.db2.gz JXESBRFYQLMTSB-UHFFFAOYSA-N 0 0 470.851 -0.157 20 5 JBBDRN O=C(NC1CC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1 ZINC000917080795 1068153705 /nfs/dbraw/zinc/15/37/05/1068153705.db2.gz ULYHPEWREDRISL-UHFFFAOYSA-N 0 0 467.504 -0.457 20 5 JBBDRN O=C(C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1)N1CCCC1 ZINC000917081998 1068153620 /nfs/dbraw/zinc/15/36/20/1068153620.db2.gz KJECYPHXXVLXOB-UHFFFAOYSA-N 0 0 481.531 -0.113 20 5 JBBDRN O=C(CN1C(=O)CCC1=O)N1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1 ZINC000917090402 1068153869 /nfs/dbraw/zinc/15/38/69/1068153869.db2.gz NHATVSXOCSWTAB-UHFFFAOYSA-N 0 0 495.514 -0.587 20 5 JBBDRN CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000917222333 1068158809 /nfs/dbraw/zinc/15/88/09/1068158809.db2.gz QRKRJYPBTPQUBW-UHFFFAOYSA-N 0 0 463.491 -0.073 20 5 JBBDRN CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000917222386 1068158832 /nfs/dbraw/zinc/15/88/32/1068158832.db2.gz AFGHSQGLUVDSCS-UHFFFAOYSA-N 0 0 489.485 -0.207 20 5 JBBDRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000917223033 1068158845 /nfs/dbraw/zinc/15/88/45/1068158845.db2.gz XBYTWHBJPFFYGL-UHFFFAOYSA-N 0 0 469.882 -0.246 20 5 JBBDRN COc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(CC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000917223737 1068159375 /nfs/dbraw/zinc/15/93/75/1068159375.db2.gz HCHUMUAKTACHKS-UHFFFAOYSA-N 0 0 465.463 -0.891 20 5 JBBDRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2C)CC1 ZINC000917224630 1068159427 /nfs/dbraw/zinc/15/94/27/1068159427.db2.gz XTVMWWBDFKDWTC-UHFFFAOYSA-N 0 0 492.518 -0.341 20 5 JBBDRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000917225117 1068159383 /nfs/dbraw/zinc/15/93/83/1068159383.db2.gz ZCVBSCXTBAZJHW-UHFFFAOYSA-N 0 0 456.477 -0.613 20 5 JBBDRN C[C@H](C(=O)OCC(=O)N1CCN(CC(=O)N(C)C)CC1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000917225137 1068159599 /nfs/dbraw/zinc/15/95/99/1068159599.db2.gz BIKMFQWGOUJSMT-CYBMUJFWSA-N 0 0 475.458 -0.645 20 5 JBBDRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000917225253 1068159511 /nfs/dbraw/zinc/15/95/11/1068159511.db2.gz SBMMALZLQGLIFI-UHFFFAOYSA-N 0 0 463.491 -0.179 20 5 JBBDRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000917226506 1068160294 /nfs/dbraw/zinc/16/02/94/1068160294.db2.gz ODOJQSUNTPQXHO-UHFFFAOYSA-N 0 0 467.504 -0.439 20 5 JBBDRN CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000917232698 1068162749 /nfs/dbraw/zinc/16/27/49/1068162749.db2.gz PXDQJLIVMLCSAO-UHFFFAOYSA-N 0 0 489.485 -0.207 20 5 JBBDRN Cn1cnc2c1c(=O)n(CCCOC(=O)Cn1c(=O)oc3cc([N+](=O)[O-])ccc31)c(=O)n2C ZINC000917241619 1068161034 /nfs/dbraw/zinc/16/10/34/1068161034.db2.gz PAZOWCCJDNQCKR-UHFFFAOYSA-N 0 0 458.387 -0.117 20 5 JBBDRN CN1CCN(S(=O)(=O)N2CCN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)CC2)CC1 ZINC000917432581 1068169707 /nfs/dbraw/zinc/16/97/07/1068169707.db2.gz UKBNIBTWCPIOHL-UHFFFAOYSA-N 0 0 450.525 -0.079 20 5 JBBDRN CN1CCN(S(=O)(=O)N2CCN(Cn3cc(Br)c([N+](=O)[O-])n3)CC2)CC1 ZINC000917615908 1068173361 /nfs/dbraw/zinc/17/33/61/1068173361.db2.gz XDWURWLKBYDKBV-UHFFFAOYSA-N 0 0 452.335 -0.379 20 5 JBBDRN Cc1cc(=O)c(C(=O)OCC(=O)N2CCN(CC(=O)N(C)C)CC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000918035368 1068185329 /nfs/dbraw/zinc/18/53/29/1068185329.db2.gz JJSOULDKLWPIOS-UHFFFAOYSA-N 0 0 486.485 -0.162 20 5 JBBDRN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1=O ZINC000918179771 1068188165 /nfs/dbraw/zinc/18/81/65/1068188165.db2.gz GIJAMQPFOQSXDK-NRFANRHFSA-N 0 0 472.458 -0.388 20 5 JBBDRN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1=O ZINC000918179772 1068188121 /nfs/dbraw/zinc/18/81/21/1068188121.db2.gz GIJAMQPFOQSXDK-OAQYLSRUSA-N 0 0 472.458 -0.388 20 5 JBBDRN CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])CC2)CC1 ZINC000918192743 1068188237 /nfs/dbraw/zinc/18/82/37/1068188237.db2.gz WTKVPWUNRRTBJG-UHFFFAOYSA-N 0 0 451.502 -0.468 20 5 JBBDRN Cn1c(=O)c2cc(NC(=O)C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cnc2n(C)c1=O ZINC000918292254 1068193731 /nfs/dbraw/zinc/19/37/31/1068193731.db2.gz LZPBFQCMCWAJSX-UHFFFAOYSA-N 0 0 467.442 -0.172 20 5 JBBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000918316481 1068194835 /nfs/dbraw/zinc/19/48/35/1068194835.db2.gz YBKAEJYXLQKNNK-UHFFFAOYSA-N 0 0 453.839 -0.284 20 5 JBBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000918432135 1068202646 /nfs/dbraw/zinc/20/26/46/1068202646.db2.gz VMRPLERGBNMFAL-UHFFFAOYSA-N 0 0 461.884 -0.092 20 5 JBBDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)CC1 ZINC000918436119 1068203356 /nfs/dbraw/zinc/20/33/56/1068203356.db2.gz VALVQPTUEXFETC-UHFFFAOYSA-N 0 0 474.927 -0.177 20 5 JBBDRN O=C(CCN1CCCS1(=O)=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000918490204 1068206019 /nfs/dbraw/zinc/20/60/19/1068206019.db2.gz QVMMSYYKQCQEAD-UHFFFAOYSA-N 0 0 463.490 -0.053 20 5 JBBDRN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000918611525 1068208503 /nfs/dbraw/zinc/20/85/03/1068208503.db2.gz BRDUICMAQSXTAV-UHFFFAOYSA-N 0 0 472.505 -0.569 20 5 JBBDRN CNc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCC3(CC2)OCCO3)cc1[N+](=O)[O-] ZINC000918813959 1068212298 /nfs/dbraw/zinc/21/22/98/1068212298.db2.gz IPBYGRBEURSQBV-UHFFFAOYSA-N 0 0 472.476 -0.177 20 5 JBBDRN CNc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000918815588 1068212667 /nfs/dbraw/zinc/21/26/67/1068212667.db2.gz QFDKTCGZIBULRN-UHFFFAOYSA-N 0 0 454.465 -0.150 20 5 JBBDRN CNc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000918816552 1068212561 /nfs/dbraw/zinc/21/25/61/1068212561.db2.gz WLXCYHXAVGPSND-UHFFFAOYSA-N 0 0 483.503 -0.461 20 5 JBBDRN C[C@@H](NC(=O)COC(=O)CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000918819018 1068212657 /nfs/dbraw/zinc/21/26/57/1068212657.db2.gz ZDZWPWKAGFZXBY-CYBMUJFWSA-N 0 0 485.519 -0.391 20 5 JBBDRN C[C@H](NC(=O)COC(=O)CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000918819029 1068213257 /nfs/dbraw/zinc/21/32/57/1068213257.db2.gz ZDZWPWKAGFZXBY-ZDUSSCGKSA-N 0 0 485.519 -0.391 20 5 JBBDRN CC(=O)N1CCN(c2ccc(C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000918896227 1068215077 /nfs/dbraw/zinc/21/50/77/1068215077.db2.gz JXVYTOICHXVQDY-UHFFFAOYSA-N 0 0 499.546 -0.182 20 5 JBBDRN CN(CCCNC(=O)COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000918915207 1068216313 /nfs/dbraw/zinc/21/63/13/1068216313.db2.gz SEVQHPSHCPXFTA-UHFFFAOYSA-N 0 0 458.449 -0.739 20 5 JBBDRN CN(CCCNC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)S(C)(=O)=O ZINC000918959331 1068217323 /nfs/dbraw/zinc/21/73/23/1068217323.db2.gz ATKYOAZMVUSYHF-UHFFFAOYSA-N 0 0 458.493 -0.014 20 5 JBBDRN C[C@@H](NC(=O)COC(=O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000918988075 1068219193 /nfs/dbraw/zinc/21/91/93/1068219193.db2.gz MAMFJFXHOWMMQK-SECBINFHSA-N 0 0 450.857 -0.337 20 5 JBBDRN C[C@H](NC(=O)COC(=O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000918988077 1068219171 /nfs/dbraw/zinc/21/91/71/1068219171.db2.gz MAMFJFXHOWMMQK-VIFPVBQESA-N 0 0 450.857 -0.337 20 5 JBBDRN CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000919039614 1068221632 /nfs/dbraw/zinc/22/16/32/1068221632.db2.gz NFIWHPOIQXJZQN-JTQLQIEISA-N 0 0 462.506 -0.269 20 5 JBBDRN CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000919039615 1068221505 /nfs/dbraw/zinc/22/15/05/1068221505.db2.gz NFIWHPOIQXJZQN-SNVBAGLBSA-N 0 0 462.506 -0.269 20 5 JBBDRN Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000919131111 1068230948 /nfs/dbraw/zinc/23/09/48/1068230948.db2.gz XKCWFKCFQMRIRM-UHFFFAOYSA-N 0 0 466.476 -0.501 20 5 JBBDRN CCN1CCN(CC(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)C(=O)C1=O ZINC000919146510 1068232488 /nfs/dbraw/zinc/23/24/88/1068232488.db2.gz WMSMDRNFJPUSEX-UHFFFAOYSA-N 0 0 450.404 -0.072 20 5 JBBDRN Cn1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)ccc1=O ZINC000919199188 1068235363 /nfs/dbraw/zinc/23/53/63/1068235363.db2.gz HPFZQMGJSXJKGW-UHFFFAOYSA-N 0 0 464.456 -0.017 20 5 JBBDRN Cn1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)ccc1=O ZINC000919204228 1068235281 /nfs/dbraw/zinc/23/52/81/1068235281.db2.gz MEBLYIWXRRLGIN-UHFFFAOYSA-N 0 0 464.456 -0.017 20 5 JBBDRN Cn1nc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)ccc1=O ZINC000919236026 1068237091 /nfs/dbraw/zinc/23/70/91/1068237091.db2.gz FKSXJERYXKYPBW-UHFFFAOYSA-N 0 0 465.444 -0.622 20 5 JBBDRN Cn1nc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)ccc1=O ZINC000919236732 1068237848 /nfs/dbraw/zinc/23/78/48/1068237848.db2.gz CISLXSZCMDQCDB-UHFFFAOYSA-N 0 0 465.444 -0.622 20 5 JBBDRN C[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)N1C(=O)CCC1=O ZINC000919257414 1068237819 /nfs/dbraw/zinc/23/78/19/1068237819.db2.gz ITDIEFWEKKVLDG-CYBMUJFWSA-N 0 0 482.471 -0.492 20 5 JBBDRN C[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)N1C(=O)CCC1=O ZINC000919257415 1068238388 /nfs/dbraw/zinc/23/83/88/1068238388.db2.gz ITDIEFWEKKVLDG-ZDUSSCGKSA-N 0 0 482.471 -0.492 20 5 JBBDRN C[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)N1C(=O)CCC1=O ZINC000919259973 1068239233 /nfs/dbraw/zinc/23/92/33/1068239233.db2.gz OYAPZQSAQCWANM-CYBMUJFWSA-N 0 0 482.471 -0.492 20 5 JBBDRN C[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)N1C(=O)CCC1=O ZINC000919259974 1068239123 /nfs/dbraw/zinc/23/91/23/1068239123.db2.gz OYAPZQSAQCWANM-ZDUSSCGKSA-N 0 0 482.471 -0.492 20 5 JBBDRN Cn1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1=O ZINC000919267847 1068237976 /nfs/dbraw/zinc/23/79/76/1068237976.db2.gz XATUVRXXYUQJKS-UHFFFAOYSA-N 0 0 464.456 -0.017 20 5 JBBDRN Cn1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1=O ZINC000919268171 1068237902 /nfs/dbraw/zinc/23/79/02/1068237902.db2.gz ZWCSNQQQERRXLL-UHFFFAOYSA-N 0 0 464.456 -0.017 20 5 JBBDRN COC(=O)N(C)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000919289190 1068239896 /nfs/dbraw/zinc/23/98/96/1068239896.db2.gz IKXMODOGLLBVAF-UHFFFAOYSA-N 0 0 458.449 -0.331 20 5 JBBDRN COC(=O)N(C)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000919291207 1068240436 /nfs/dbraw/zinc/24/04/36/1068240436.db2.gz ZLYXSTDHPKAZQN-UHFFFAOYSA-N 0 0 458.449 -0.331 20 5 JBBDRN O=C(COC(=O)[C@@H]1CCC(=O)NC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000919337545 1068241169 /nfs/dbraw/zinc/24/11/69/1068241169.db2.gz YCPRTGXGZHJHNV-CYBMUJFWSA-N 0 0 454.461 -0.503 20 5 JBBDRN O=C(COC(=O)[C@H]1CCC(=O)NC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000919337546 1068241116 /nfs/dbraw/zinc/24/11/16/1068241116.db2.gz YCPRTGXGZHJHNV-ZDUSSCGKSA-N 0 0 454.461 -0.503 20 5 JBBDRN O=C(COC(=O)[C@@H]1CCC(=O)NC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000919338479 1068241052 /nfs/dbraw/zinc/24/10/52/1068241052.db2.gz JQQPTLRBHUVJIQ-CYBMUJFWSA-N 0 0 454.461 -0.503 20 5 JBBDRN O=C(COC(=O)[C@H]1CCC(=O)NC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000919338480 1068241098 /nfs/dbraw/zinc/24/10/98/1068241098.db2.gz JQQPTLRBHUVJIQ-ZDUSSCGKSA-N 0 0 454.461 -0.503 20 5 JBBDRN C[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)S(C)(=O)=O ZINC000919345808 1068242524 /nfs/dbraw/zinc/24/25/24/1068242524.db2.gz RDIUXDMPJRBVES-GFCCVEGCSA-N 0 0 463.490 -0.596 20 5 JBBDRN C[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)S(C)(=O)=O ZINC000919345810 1068242281 /nfs/dbraw/zinc/24/22/81/1068242281.db2.gz RDIUXDMPJRBVES-LBPRGKRZSA-N 0 0 463.490 -0.596 20 5 JBBDRN C[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)S(C)(=O)=O ZINC000919347265 1068242538 /nfs/dbraw/zinc/24/25/38/1068242538.db2.gz LORFFXWEKJKTFI-GFCCVEGCSA-N 0 0 463.490 -0.596 20 5 JBBDRN C[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)S(C)(=O)=O ZINC000919347266 1068242428 /nfs/dbraw/zinc/24/24/28/1068242428.db2.gz LORFFXWEKJKTFI-LBPRGKRZSA-N 0 0 463.490 -0.596 20 5 JBBDRN O=C(CN1CCCS1(=O)=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000919359482 1068243686 /nfs/dbraw/zinc/24/36/86/1068243686.db2.gz XMIIWLVAZLJQOP-UHFFFAOYSA-N 0 0 490.516 -0.994 20 5 JBBDRN O=C(CN1CCCS1(=O)=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000919362585 1068244196 /nfs/dbraw/zinc/24/41/96/1068244196.db2.gz AKQHMIDSBFPWAI-UHFFFAOYSA-N 0 0 490.516 -0.994 20 5 JBBDRN O=C(COC(=O)Cn1ccc([N+](=O)[O-])n1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000919378862 1068244867 /nfs/dbraw/zinc/24/48/67/1068244867.db2.gz FLZYGHXCTBBUGZ-UHFFFAOYSA-N 0 0 467.460 -0.328 20 5 JBBDRN O=C(COC(=O)Cn1ccc([N+](=O)[O-])n1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000919378869 1068244779 /nfs/dbraw/zinc/24/47/79/1068244779.db2.gz GIOHFOTYCSMXBB-UHFFFAOYSA-N 0 0 453.433 -0.006 20 5 JBBDRN O=C(Cn1ccc([N+](=O)[O-])n1)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000919379009 1068244767 /nfs/dbraw/zinc/24/47/67/1068244767.db2.gz AIBBVUQJQHWSSJ-UHFFFAOYSA-N 0 0 495.470 -0.361 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)Cn3ccc([N+](=O)[O-])n3)CC2)cc1OC ZINC000919379573 1068244842 /nfs/dbraw/zinc/24/48/42/1068244842.db2.gz FJQIDVORTGZKIA-UHFFFAOYSA-N 0 0 497.486 -0.115 20 5 JBBDRN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)COC(=O)Cn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000919379593 1068244849 /nfs/dbraw/zinc/24/48/49/1068244849.db2.gz GQQXGMJGKMCAQY-UHFFFAOYSA-N 0 0 497.486 -0.115 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)Cn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000919379594 1068244873 /nfs/dbraw/zinc/24/48/73/1068244873.db2.gz GTJBZVUIDKVPTO-UHFFFAOYSA-N 0 0 467.460 -0.124 20 5 JBBDRN O=C(COC(=O)Cn1ccc([N+](=O)[O-])n1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000919379892 1068244857 /nfs/dbraw/zinc/24/48/57/1068244857.db2.gz SSNUUIDXHUIOKV-UHFFFAOYSA-N 0 0 453.433 -0.006 20 5 JBBDRN O=C(COC(=O)Cn1ccc([N+](=O)[O-])n1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000919380418 1068245264 /nfs/dbraw/zinc/24/52/64/1068245264.db2.gz QAVRCVCDRBFHKE-UHFFFAOYSA-N 0 0 467.460 -0.328 20 5 JBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000919519443 1068248634 /nfs/dbraw/zinc/24/86/34/1068248634.db2.gz BNFHYRADFYMWHR-UHFFFAOYSA-N 0 0 478.896 -0.023 20 5 JBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000919519481 1068249356 /nfs/dbraw/zinc/24/93/56/1068249356.db2.gz IBMMSVWFESWDPI-UHFFFAOYSA-N 0 0 456.412 -0.598 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)Cn3cnc([N+](=O)[O-])n3)CC2)cc1 ZINC000919519482 1068249462 /nfs/dbraw/zinc/24/94/62/1068249462.db2.gz IGUNBHXJSSRSTH-UHFFFAOYSA-N 0 0 468.448 -0.729 20 5 JBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000919519635 1068249583 /nfs/dbraw/zinc/24/95/83/1068249583.db2.gz NMJKBMLYLQCZDC-UHFFFAOYSA-N 0 0 456.412 -0.598 20 5 JBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000919519697 1068249541 /nfs/dbraw/zinc/24/95/41/1068249541.db2.gz VMFJPIWYTAAOMV-IZZDOVSWSA-N 0 0 464.460 -0.126 20 5 JBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000919519698 1068249404 /nfs/dbraw/zinc/24/94/04/1068249404.db2.gz VMFJPIWYTAAOMV-WDZFZDKYSA-N 0 0 464.460 -0.126 20 5 JBBDRN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)Cn3cnc([N+](=O)[O-])n3)CC2)cc1 ZINC000919519703 1068249534 /nfs/dbraw/zinc/24/95/34/1068249534.db2.gz WBPBAVPYNLJSOH-UHFFFAOYSA-N 0 0 482.475 -0.339 20 5 JBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)OCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000919520280 1068249298 /nfs/dbraw/zinc/24/92/98/1068249298.db2.gz FNZDNOYYEGCZAF-UHFFFAOYSA-N 0 0 474.402 -0.459 20 5 JBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)OCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000919520301 1068249491 /nfs/dbraw/zinc/24/94/91/1068249491.db2.gz IYBASOXYAQBMHK-UHFFFAOYSA-N 0 0 456.412 -0.598 20 5 JBBDRN CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000919520310 1068249437 /nfs/dbraw/zinc/24/94/37/1068249437.db2.gz KLNAXMGUAFNWJR-UHFFFAOYSA-N 0 0 452.449 -0.041 20 5 JBBDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)Cn3cnc([N+](=O)[O-])n3)CC2)cc1C ZINC000919520367 1068249426 /nfs/dbraw/zinc/24/94/26/1068249426.db2.gz PYJTZNGUODMLGN-UHFFFAOYSA-N 0 0 466.476 -0.121 20 5 JBBDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)OC(=O)Cn3cnc([N+](=O)[O-])n3)CC2)cc1 ZINC000919520399 1068249369 /nfs/dbraw/zinc/24/93/69/1068249369.db2.gz VLCDDDAFPWLXNR-AWEZNQCLSA-N 0 0 466.476 -0.040 20 5 JBBDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)OC(=O)Cn3cnc([N+](=O)[O-])n3)CC2)cc1 ZINC000919520400 1068249480 /nfs/dbraw/zinc/24/94/80/1068249480.db2.gz VLCDDDAFPWLXNR-CQSZACIVSA-N 0 0 466.476 -0.040 20 5 JBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000919520869 1068249390 /nfs/dbraw/zinc/24/93/90/1068249390.db2.gz IYARMBJBZGQHOW-UHFFFAOYSA-N 0 0 478.487 -0.249 20 5 JBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000919521240 1068248831 /nfs/dbraw/zinc/24/88/31/1068248831.db2.gz NWZONNPMUDVFSQ-UHFFFAOYSA-N 0 0 452.449 -0.596 20 5 JBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000919521501 1068248651 /nfs/dbraw/zinc/24/86/51/1068248651.db2.gz QJEREDOQIUTQTM-UHFFFAOYSA-N 0 0 472.867 -0.084 20 5 JBBDRN CC(C)S(=O)(=O)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000919602935 1068252888 /nfs/dbraw/zinc/25/28/88/1068252888.db2.gz PREYXPQBDYLZSJ-UHFFFAOYSA-N 0 0 477.517 -0.206 20 5 JBBDRN CC(C)S(=O)(=O)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000919603050 1068252576 /nfs/dbraw/zinc/25/25/76/1068252576.db2.gz SGHLOCQSJDCFOU-UHFFFAOYSA-N 0 0 477.517 -0.206 20 5 JBBDRN O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000919710545 1068255830 /nfs/dbraw/zinc/25/58/30/1068255830.db2.gz FUSRNNZDENVBPG-UHFFFAOYSA-N 0 0 469.520 -0.234 20 5 JBBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919726277 1068258500 /nfs/dbraw/zinc/25/85/00/1068258500.db2.gz CGXWADOYVATWFT-CYBMUJFWSA-N 0 0 467.547 -0.274 20 5 JBBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919726278 1068258558 /nfs/dbraw/zinc/25/85/58/1068258558.db2.gz CGXWADOYVATWFT-ZDUSSCGKSA-N 0 0 467.547 -0.274 20 5 JBBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919726356 1068258525 /nfs/dbraw/zinc/25/85/25/1068258525.db2.gz FRENPXJTOXPBAA-AWEZNQCLSA-N 0 0 467.547 -0.274 20 5 JBBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919726357 1068259062 /nfs/dbraw/zinc/25/90/62/1068259062.db2.gz FRENPXJTOXPBAA-CQSZACIVSA-N 0 0 467.547 -0.274 20 5 JBBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c(F)c1 ZINC000919726902 1068259501 /nfs/dbraw/zinc/25/95/01/1068259501.db2.gz KLFZYKKTVOBACR-GFCCVEGCSA-N 0 0 471.510 -0.443 20 5 JBBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(F)c1 ZINC000919726903 1068259650 /nfs/dbraw/zinc/25/96/50/1068259650.db2.gz KLFZYKKTVOBACR-LBPRGKRZSA-N 0 0 471.510 -0.443 20 5 JBBDRN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919727029 1068259636 /nfs/dbraw/zinc/25/96/36/1068259636.db2.gz NLTKNQOFVCRDPA-LLVKDONJSA-N 0 0 471.510 -0.443 20 5 JBBDRN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919727031 1068259730 /nfs/dbraw/zinc/25/97/30/1068259730.db2.gz NLTKNQOFVCRDPA-NSHDSACASA-N 0 0 471.510 -0.443 20 5 JBBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000919727372 1068260202 /nfs/dbraw/zinc/26/02/02/1068260202.db2.gz QQKHJSAQSKALIU-HNNXBMFYSA-N 0 0 467.547 -0.441 20 5 JBBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000919727374 1068260305 /nfs/dbraw/zinc/26/03/05/1068260305.db2.gz QQKHJSAQSKALIU-OAHLLOKOSA-N 0 0 467.547 -0.441 20 5 JBBDRN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000919727415 1068260284 /nfs/dbraw/zinc/26/02/84/1068260284.db2.gz SAERAMMRSNSXIF-AWEZNQCLSA-N 0 0 467.547 -0.274 20 5 JBBDRN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000919727416 1068260358 /nfs/dbraw/zinc/26/03/58/1068260358.db2.gz SAERAMMRSNSXIF-CQSZACIVSA-N 0 0 467.547 -0.274 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c([N+](=O)[O-])c1 ZINC000919727706 1068257296 /nfs/dbraw/zinc/25/72/96/1068257296.db2.gz YHNNBFUNSKYPLB-CYBMUJFWSA-N 0 0 483.546 -0.573 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c([N+](=O)[O-])c1 ZINC000919727707 1068257346 /nfs/dbraw/zinc/25/73/46/1068257346.db2.gz YHNNBFUNSKYPLB-ZDUSSCGKSA-N 0 0 483.546 -0.573 20 5 JBBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919727723 1068257229 /nfs/dbraw/zinc/25/72/29/1068257229.db2.gz YNSOAJSXBGGBGT-CYBMUJFWSA-N 0 0 483.546 -0.573 20 5 JBBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919727724 1068257242 /nfs/dbraw/zinc/25/72/42/1068257242.db2.gz YNSOAJSXBGGBGT-ZDUSSCGKSA-N 0 0 483.546 -0.573 20 5 JBBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919728524 1068257408 /nfs/dbraw/zinc/25/74/08/1068257408.db2.gz DIUVOZVMURUWGK-AWEZNQCLSA-N 0 0 467.547 -0.274 20 5 JBBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919728526 1068257205 /nfs/dbraw/zinc/25/72/05/1068257205.db2.gz DIUVOZVMURUWGK-CQSZACIVSA-N 0 0 467.547 -0.274 20 5 JBBDRN CC(=O)N1CCN(c2ccc(C(=O)OCCn3cnc4c3c(=O)n(C)c(=O)n4C)cc2[N+](=O)[O-])CC1 ZINC000919728725 1068257252 /nfs/dbraw/zinc/25/72/52/1068257252.db2.gz WHDNHXBSBAWQNC-UHFFFAOYSA-N 0 0 499.484 -0.133 20 5 JBBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000919728898 1068257262 /nfs/dbraw/zinc/25/72/62/1068257262.db2.gz LXCXKXXAYFQTOQ-AWEZNQCLSA-N 0 0 453.520 -0.582 20 5 JBBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000919728908 1068257275 /nfs/dbraw/zinc/25/72/75/1068257275.db2.gz LXCXKXXAYFQTOQ-CQSZACIVSA-N 0 0 453.520 -0.582 20 5 JBBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000919729290 1068257928 /nfs/dbraw/zinc/25/79/28/1068257928.db2.gz SEIYFKAVBHITIF-AWEZNQCLSA-N 0 0 453.520 -0.582 20 5 JBBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000919729291 1068257992 /nfs/dbraw/zinc/25/79/92/1068257992.db2.gz SEIYFKAVBHITIF-CQSZACIVSA-N 0 0 453.520 -0.582 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000919729578 1068257897 /nfs/dbraw/zinc/25/78/97/1068257897.db2.gz WWYRSVKWTBMMJF-CYBMUJFWSA-N 0 0 483.546 -0.573 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000919729579 1068258000 /nfs/dbraw/zinc/25/80/00/1068258000.db2.gz WWYRSVKWTBMMJF-ZDUSSCGKSA-N 0 0 483.546 -0.573 20 5 JBBDRN COC(=O)c1cc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc([N+](=O)[O-])c1 ZINC000919815931 1068262411 /nfs/dbraw/zinc/26/24/11/1068262411.db2.gz IIXHDJBLMWNOMB-HNNXBMFYSA-N 0 0 475.501 -0.344 20 5 JBBDRN COC(=O)c1cc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc([N+](=O)[O-])c1 ZINC000919815990 1068262373 /nfs/dbraw/zinc/26/23/73/1068262373.db2.gz IIXHDJBLMWNOMB-OAHLLOKOSA-N 0 0 475.501 -0.344 20 5 JBBDRN COc1cc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c([N+](=O)[O-])cc1OC ZINC000919817170 1068266499 /nfs/dbraw/zinc/26/64/99/1068266499.db2.gz HRAXDTKRZWSJAI-GFCCVEGCSA-N 0 0 477.517 -0.113 20 5 JBBDRN COc1cc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c([N+](=O)[O-])cc1OC ZINC000919817171 1068266185 /nfs/dbraw/zinc/26/61/85/1068266185.db2.gz HRAXDTKRZWSJAI-LBPRGKRZSA-N 0 0 477.517 -0.113 20 5 JBBDRN Cc1c(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000919817176 1068266352 /nfs/dbraw/zinc/26/63/52/1068266352.db2.gz HSKZWTORBJVWGN-INIZCTEOSA-N 0 0 498.543 -0.241 20 5 JBBDRN Cc1c(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000919817177 1068266393 /nfs/dbraw/zinc/26/63/93/1068266393.db2.gz HSKZWTORBJVWGN-MRXNPFEDSA-N 0 0 498.543 -0.241 20 5 JBBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919817216 1068266268 /nfs/dbraw/zinc/26/62/68/1068266268.db2.gz IOUOFZILVNFKHQ-GFCCVEGCSA-N 0 0 457.490 -0.254 20 5 JBBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919817217 1068266424 /nfs/dbraw/zinc/26/64/24/1068266424.db2.gz IOUOFZILVNFKHQ-LBPRGKRZSA-N 0 0 457.490 -0.254 20 5 JBBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919817683 1068268298 /nfs/dbraw/zinc/26/82/98/1068268298.db2.gz VMQGZFSEOMQDEZ-HNNXBMFYSA-N 0 0 471.517 -0.394 20 5 JBBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919817684 1068268263 /nfs/dbraw/zinc/26/82/63/1068268263.db2.gz VMQGZFSEOMQDEZ-OAHLLOKOSA-N 0 0 471.517 -0.394 20 5 JBBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919817993 1068269293 /nfs/dbraw/zinc/26/92/93/1068269293.db2.gz HGXNATOARYDDAY-INIZCTEOSA-N 0 0 488.544 -0.624 20 5 JBBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919817998 1068269402 /nfs/dbraw/zinc/26/94/02/1068269402.db2.gz HGXNATOARYDDAY-MRXNPFEDSA-N 0 0 488.544 -0.624 20 5 JBBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919818910 1068272061 /nfs/dbraw/zinc/27/20/61/1068272061.db2.gz UBIYVFXHVWNNSN-GFCCVEGCSA-N 0 0 475.501 -0.359 20 5 JBBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919818914 1068272094 /nfs/dbraw/zinc/27/20/94/1068272094.db2.gz UBIYVFXHVWNNSN-LBPRGKRZSA-N 0 0 475.501 -0.359 20 5 JBBDRN CCOC(=O)N1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000919935262 1068276196 /nfs/dbraw/zinc/27/61/96/1068276196.db2.gz DOEAPWDMPPISOG-UHFFFAOYSA-N 0 0 491.548 -0.080 20 5 JBBDRN CCOC(=O)N1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000919936117 1068276001 /nfs/dbraw/zinc/27/60/01/1068276001.db2.gz QTNJMDUNXOCQGI-UHFFFAOYSA-N 0 0 491.548 -0.080 20 5 JBBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919986893 1068278823 /nfs/dbraw/zinc/27/88/23/1068278823.db2.gz NMCYOAMKIXGPDU-AWEZNQCLSA-N 0 0 460.534 -0.065 20 5 JBBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919986894 1068279530 /nfs/dbraw/zinc/27/95/30/1068279530.db2.gz NMCYOAMKIXGPDU-CQSZACIVSA-N 0 0 460.534 -0.065 20 5 JBBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919986922 1068279490 /nfs/dbraw/zinc/27/94/90/1068279490.db2.gz NYPZULHGGJOODR-LLVKDONJSA-N 0 0 461.474 -0.402 20 5 JBBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919986923 1068279453 /nfs/dbraw/zinc/27/94/53/1068279453.db2.gz NYPZULHGGJOODR-NSHDSACASA-N 0 0 461.474 -0.402 20 5 JBBDRN Nc1c(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000919987133 1068279987 /nfs/dbraw/zinc/27/99/87/1068279987.db2.gz RKJBPLNHKHVJON-LLVKDONJSA-N 0 0 450.470 -0.409 20 5 JBBDRN Nc1c(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000919987136 1068280030 /nfs/dbraw/zinc/28/00/30/1068280030.db2.gz RKJBPLNHKHVJON-NSHDSACASA-N 0 0 450.470 -0.409 20 5 JBBDRN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000920027787 1068282062 /nfs/dbraw/zinc/28/20/62/1068282062.db2.gz DYPDXNWCVZMXRT-UHFFFAOYSA-N 0 0 455.474 -0.513 20 5 JBBDRN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000920028302 1068280799 /nfs/dbraw/zinc/28/07/99/1068280799.db2.gz UBLKACWDSJIGJJ-UHFFFAOYSA-N 0 0 455.474 -0.513 20 5 JBBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)s1 ZINC000920044609 1068282108 /nfs/dbraw/zinc/28/21/08/1068282108.db2.gz LZULQMJZQFAPKY-JTQLQIEISA-N 0 0 459.549 -0.521 20 5 JBBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)s1 ZINC000920044610 1068282076 /nfs/dbraw/zinc/28/20/76/1068282076.db2.gz LZULQMJZQFAPKY-SNVBAGLBSA-N 0 0 459.549 -0.521 20 5 JBBDRN CCOC(=O)N1CCN(S(=O)(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000920047822 1068281870 /nfs/dbraw/zinc/28/18/70/1068281870.db2.gz YEHPWXOUDVMRND-UHFFFAOYSA-N 0 0 465.510 -0.518 20 5 JBBDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000920051049 1068282488 /nfs/dbraw/zinc/28/24/88/1068282488.db2.gz LHKDRWFHTVDQAJ-UHFFFAOYSA-N 0 0 492.580 -0.213 20 5 JBBDRN CNC(=O)c1ccc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000920072231 1068282602 /nfs/dbraw/zinc/28/26/02/1068282602.db2.gz XYVVTSLBTPDPCC-UHFFFAOYSA-N 0 0 463.472 -0.351 20 5 JBBDRN CNC(=O)c1ccc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000920072243 1068282642 /nfs/dbraw/zinc/28/26/42/1068282642.db2.gz YWKAYPJTHOOTAD-UHFFFAOYSA-N 0 0 463.472 -0.351 20 5 JBBDRN Cn1cnc2c1c(=O)n(CC(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c(=O)n2C ZINC000920148799 1068283820 /nfs/dbraw/zinc/28/38/20/1068283820.db2.gz RTHCCNOPUDJYEA-UHFFFAOYSA-N 0 0 464.822 -0.032 20 5 JBBDRN Cn1c2ncn(CC(=O)OCCNC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2c(=O)n(C)c1=O ZINC000920149453 1068284133 /nfs/dbraw/zinc/28/41/33/1068284133.db2.gz YUDNVTIBCGVVAC-UHFFFAOYSA-N 0 0 464.822 -0.032 20 5 JBBDRN CN1CCN(S(=O)(=O)c2ccc(N3CCC(C(=O)NCCO)CC3)c([N+](=O)[O-])c2)CC1 ZINC000920257053 1068285512 /nfs/dbraw/zinc/28/55/12/1068285512.db2.gz SFIKOUSKUGYNKG-UHFFFAOYSA-N 0 0 455.537 -0.144 20 5 JBBDRN Cn1c2ncn(CCOC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)c2c(=O)n(C)c1=O ZINC000920324782 1068288227 /nfs/dbraw/zinc/28/82/27/1068288227.db2.gz PMNDXWMHWAWNRL-UHFFFAOYSA-N 0 0 451.417 -0.398 20 5 JBBDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000920340615 1068287597 /nfs/dbraw/zinc/28/75/97/1068287597.db2.gz NYAJKDXLWJLLDM-UHFFFAOYSA-N 0 0 477.565 -0.006 20 5 JBBDRN O=C(COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1CCNC(=O)C1 ZINC000920416221 1068289558 /nfs/dbraw/zinc/28/95/58/1068289558.db2.gz RSJXQQNGZHSSJB-CYBMUJFWSA-N 0 0 454.461 -0.503 20 5 JBBDRN O=C(COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1CCNC(=O)C1 ZINC000920416222 1068289462 /nfs/dbraw/zinc/28/94/62/1068289462.db2.gz RSJXQQNGZHSSJB-ZDUSSCGKSA-N 0 0 454.461 -0.503 20 5 JBBDRN CCS(=O)(=O)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000920594308 1068292941 /nfs/dbraw/zinc/29/29/41/1068292941.db2.gz DWYCBHZZBHQUJZ-UHFFFAOYSA-N 0 0 463.490 -0.594 20 5 JBBDRN CCS(=O)(=O)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000920594341 1068293091 /nfs/dbraw/zinc/29/30/91/1068293091.db2.gz HNVBDKKYPCUHEL-UHFFFAOYSA-N 0 0 463.490 -0.594 20 5 JBBDRN Cn1c(C(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000920606647 1068295741 /nfs/dbraw/zinc/29/57/41/1068295741.db2.gz UGZJQVWZMNZYRE-UHFFFAOYSA-N 0 0 484.469 -0.011 20 5 JBBDRN CCCS(=O)(=O)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000920629497 1068298349 /nfs/dbraw/zinc/29/83/49/1068298349.db2.gz FDNMHBCJNAHBAD-UHFFFAOYSA-N 0 0 477.517 -0.204 20 5 JBBDRN CCCS(=O)(=O)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000920629580 1068298580 /nfs/dbraw/zinc/29/85/80/1068298580.db2.gz HSMZOWMEFINNRA-UHFFFAOYSA-N 0 0 477.517 -0.204 20 5 JBBDRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000920701505 1068299710 /nfs/dbraw/zinc/29/97/10/1068299710.db2.gz VSFLOYMBGIRCOR-UHFFFAOYSA-N 0 0 456.477 -0.613 20 5 JBBDRN Cn1cnc2c1c(=O)n(CCCOC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c(=O)n2C ZINC000920704704 1068299847 /nfs/dbraw/zinc/29/98/47/1068299847.db2.gz WDPQFVKLLVPBHG-UHFFFAOYSA-N 0 0 465.444 -0.008 20 5 JBBDRN CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000920708576 1068299176 /nfs/dbraw/zinc/29/91/76/1068299176.db2.gz BCOBHQVEDMASQB-CYBMUJFWSA-N 0 0 456.477 -0.114 20 5 JBBDRN CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000920708580 1068298962 /nfs/dbraw/zinc/29/89/62/1068298962.db2.gz BCOBHQVEDMASQB-ZDUSSCGKSA-N 0 0 456.477 -0.114 20 5 JBBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)OCC(=O)N1CCN(c2cnccn2)CC1 ZINC000920708848 1068299145 /nfs/dbraw/zinc/29/91/45/1068299145.db2.gz PPZMLEXRWHOCPO-UHFFFAOYSA-N 0 0 478.487 -0.055 20 5 JBBDRN CC(=O)N[C@H]1CCCN(C(=O)COC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000920709271 1068299613 /nfs/dbraw/zinc/29/96/13/1068299613.db2.gz JVGSIUGFELOCNT-AWEZNQCLSA-N 0 0 456.477 -0.067 20 5 JBBDRN CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000920709272 1068299570 /nfs/dbraw/zinc/29/95/70/1068299570.db2.gz JVGSIUGFELOCNT-CQSZACIVSA-N 0 0 456.477 -0.067 20 5 JBBDRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000920709661 1068299839 /nfs/dbraw/zinc/29/98/39/1068299839.db2.gz NUTZQALDPLRAOB-UHFFFAOYSA-N 0 0 485.519 -0.961 20 5 JBBDRN CC(=O)N1CCC(NC(=O)COC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000920709701 1068299751 /nfs/dbraw/zinc/29/97/51/1068299751.db2.gz PICHURNRESQDRJ-UHFFFAOYSA-N 0 0 456.477 -0.067 20 5 JBBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000920710224 1068299734 /nfs/dbraw/zinc/29/97/34/1068299734.db2.gz VKOKMRPRLYQARF-UHFFFAOYSA-N 0 0 468.488 -0.113 20 5 JBBDRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000920718134 1068299681 /nfs/dbraw/zinc/29/96/81/1068299681.db2.gz ZMCIBIVXFKMGNT-UHFFFAOYSA-N 0 0 485.519 -0.961 20 5 JBBDRN CC(=O)N[C@H]1CCCN(C(=O)COC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000920719423 1068300327 /nfs/dbraw/zinc/30/03/27/1068300327.db2.gz CPTVCXFPRRGSER-AWEZNQCLSA-N 0 0 456.477 -0.067 20 5 JBBDRN CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000920719425 1068300089 /nfs/dbraw/zinc/30/00/89/1068300089.db2.gz CPTVCXFPRRGSER-CQSZACIVSA-N 0 0 456.477 -0.067 20 5 JBBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000920719446 1068300108 /nfs/dbraw/zinc/30/01/08/1068300108.db2.gz DLNPSBWJXXCWEZ-UHFFFAOYSA-N 0 0 468.488 -0.113 20 5 JBBDRN CC(=O)N1CCC(NC(=O)COC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000920719519 1068300227 /nfs/dbraw/zinc/30/02/27/1068300227.db2.gz IFJFLUUONXCPMU-UHFFFAOYSA-N 0 0 456.477 -0.067 20 5 JBBDRN CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000920719955 1068300307 /nfs/dbraw/zinc/30/03/07/1068300307.db2.gz OXMJYPVLWGHSMJ-CYBMUJFWSA-N 0 0 456.477 -0.114 20 5 JBBDRN CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000920719956 1068300368 /nfs/dbraw/zinc/30/03/68/1068300368.db2.gz OXMJYPVLWGHSMJ-ZDUSSCGKSA-N 0 0 456.477 -0.114 20 5 JBBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCN(c2cnccn2)CC1 ZINC000920720679 1068300248 /nfs/dbraw/zinc/30/02/48/1068300248.db2.gz NSAWQIHHWXWJAR-UHFFFAOYSA-N 0 0 478.487 -0.055 20 5 JBBDRN COc1cc(OCC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC000921030180 1068301898 /nfs/dbraw/zinc/30/18/98/1068301898.db2.gz DJHZFABXBZSLCQ-AWEZNQCLSA-N 0 0 477.517 -0.357 20 5 JBBDRN COc1cc(OCC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC000921030181 1068302115 /nfs/dbraw/zinc/30/21/15/1068302115.db2.gz DJHZFABXBZSLCQ-CQSZACIVSA-N 0 0 477.517 -0.357 20 5 JBBDRN O=[N+]([O-])c1nn(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1Br ZINC000921044974 1068302586 /nfs/dbraw/zinc/30/25/86/1068302586.db2.gz GUYDDMYYLGUPCR-JTQLQIEISA-N 0 0 472.343 -0.354 20 5 JBBDRN O=[N+]([O-])c1nn(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1Br ZINC000921044975 1068302377 /nfs/dbraw/zinc/30/23/77/1068302377.db2.gz GUYDDMYYLGUPCR-SNVBAGLBSA-N 0 0 472.343 -0.354 20 5 JBBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000921045759 1068302831 /nfs/dbraw/zinc/30/28/31/1068302831.db2.gz MBKBKUPJKMWQMX-CYBMUJFWSA-N 0 0 460.490 -0.405 20 5 JBBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000921045760 1068302714 /nfs/dbraw/zinc/30/27/14/1068302714.db2.gz MBKBKUPJKMWQMX-ZDUSSCGKSA-N 0 0 460.490 -0.405 20 5 JBBDRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000921046313 1068302849 /nfs/dbraw/zinc/30/28/49/1068302849.db2.gz RFSFRCIRBGILRG-CYBMUJFWSA-N 0 0 472.501 -0.717 20 5 JBBDRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000921046321 1068303343 /nfs/dbraw/zinc/30/33/43/1068303343.db2.gz RFSFRCIRBGILRG-ZDUSSCGKSA-N 0 0 472.501 -0.717 20 5 JBBDRN O=[N+]([O-])c1cccc(-c2ncn(CN3CCN(S(=O)(=O)[C@H]4CCS(=O)(=O)C4)CC3)n2)c1 ZINC000921046793 1068303307 /nfs/dbraw/zinc/30/33/07/1068303307.db2.gz SVISRFPGHSMHNP-INIZCTEOSA-N 0 0 470.533 -0.055 20 5 JBBDRN O=[N+]([O-])c1cccc(-c2ncn(CN3CCN(S(=O)(=O)[C@@H]4CCS(=O)(=O)C4)CC3)n2)c1 ZINC000921046797 1068303146 /nfs/dbraw/zinc/30/31/46/1068303146.db2.gz SVISRFPGHSMHNP-MRXNPFEDSA-N 0 0 470.533 -0.055 20 5 JBBDRN COc1cc(OCC(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC000921112724 1068304221 /nfs/dbraw/zinc/30/42/21/1068304221.db2.gz MOWJKQHJGGMKMZ-AWEZNQCLSA-N 0 0 471.488 -0.143 20 5 JBBDRN COc1cc(OCC(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC000921113159 1068304351 /nfs/dbraw/zinc/30/43/51/1068304351.db2.gz MOWJKQHJGGMKMZ-CQSZACIVSA-N 0 0 471.488 -0.143 20 5 JBBDRN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000921152087 1068304292 /nfs/dbraw/zinc/30/42/92/1068304292.db2.gz OPHAVNZGJYPLBG-UHFFFAOYSA-N 0 0 455.474 -0.513 20 5 JBBDRN CCOC(=O)N1CCN(S(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000921196438 1068304781 /nfs/dbraw/zinc/30/47/81/1068304781.db2.gz KFGOTRFGLHHLMV-UHFFFAOYSA-N 0 0 465.510 -0.518 20 5 JBBDRN O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000921235622 1068305167 /nfs/dbraw/zinc/30/51/67/1068305167.db2.gz SUKLULVICOHDBH-UHFFFAOYSA-N 0 0 481.512 -0.075 20 5 JBBDRN O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000921235660 1068305205 /nfs/dbraw/zinc/30/52/05/1068305205.db2.gz XWGAYALYTIHOAX-UHFFFAOYSA-N 0 0 481.512 -0.075 20 5 JBBDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000921247862 1068305667 /nfs/dbraw/zinc/30/56/67/1068305667.db2.gz MBERIRGJRRAGFG-UHFFFAOYSA-N 0 0 492.580 -0.213 20 5 JBBDRN O=C(COC(=O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCC(=O)N1CCCC1 ZINC000922029798 1068407856 /nfs/dbraw/zinc/40/78/56/1068407856.db2.gz RZRQAPARKVPFBZ-UHFFFAOYSA-N 0 0 462.868 -0.192 20 5 JBBDRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)CC1 ZINC000928989481 1069039979 /nfs/dbraw/zinc/03/99/79/1069039979.db2.gz ULPRMPNANSOIEO-AWEZNQCLSA-N 0 0 479.465 -0.138 20 5 JBBDRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)CC1 ZINC000928989500 1069040145 /nfs/dbraw/zinc/04/01/45/1069040145.db2.gz ULPRMPNANSOIEO-CQSZACIVSA-N 0 0 479.465 -0.138 20 5 JBBDRN COCCCS(=O)(=O)N1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC001127024840 1067990136 /nfs/dbraw/zinc/99/01/36/1067990136.db2.gz JQRCVCLMBWZSHA-UHFFFAOYSA-N 0 0 456.477 -0.169 20 5 JBBDRN CC(=O)N1CCN(c2ccc(C(=O)NC3CN(S(=O)(=O)N(C)C)C3)cc2[N+](=O)[O-])CC1 ZINC001131993638 1068532147 /nfs/dbraw/zinc/53/21/47/1068532147.db2.gz CLWUJNVCEUDSNK-UHFFFAOYSA-N 0 0 454.509 -0.516 20 5 JBBDRN O=C(CCN1C(=O)CCNC1=S)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001135348755 1068545209 /nfs/dbraw/zinc/54/52/09/1068545209.db2.gz XXJPRCMZMKVHJA-UHFFFAOYSA-N 0 0 455.518 -0.075 20 5 JBBDRN COc1cc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c([N+](=O)[O-])cc1F ZINC001136948664 1068567271 /nfs/dbraw/zinc/56/72/71/1068567271.db2.gz FYRSAGMQONCATF-GFCCVEGCSA-N 0 0 458.468 -0.196 20 5 JBBDRN COc1cc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c([N+](=O)[O-])cc1F ZINC001136948665 1068567477 /nfs/dbraw/zinc/56/74/77/1068567477.db2.gz FYRSAGMQONCATF-LBPRGKRZSA-N 0 0 458.468 -0.196 20 5 JBBDRN O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC001141944894 1069218238 /nfs/dbraw/zinc/21/82/38/1069218238.db2.gz FDWQKQDZZCMYNY-UHFFFAOYSA-N 0 0 459.459 -0.135 20 5 JBBDRN CN(CC(=O)N1CCN(C)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001149751668 1069243454 /nfs/dbraw/zinc/24/34/54/1069243454.db2.gz RUYZQCLITDTSHS-KRWDZBQOSA-N 0 0 453.521 -0.020 20 5 JBBDRN CN(CC(=O)N1CCN(C)CC1)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001149751669 1069243685 /nfs/dbraw/zinc/24/36/85/1069243685.db2.gz RUYZQCLITDTSHS-QGZVFWFLSA-N 0 0 453.521 -0.020 20 5 JBBDRN CC(=O)N1CCN(c2ccc(C(=O)N3CCN4[C@@H](CNS4(=O)=O)C3)cc2[N+](=O)[O-])CC1 ZINC001156615619 1069289901 /nfs/dbraw/zinc/28/99/01/1069289901.db2.gz XKAFXZXHMSEQKK-HNNXBMFYSA-N 0 0 452.493 -0.762 20 5 JBBDRN CC(=O)N1CCN(c2ccc(C(=O)N3CCN4[C@H](CNS4(=O)=O)C3)cc2[N+](=O)[O-])CC1 ZINC001156615620 1069290129 /nfs/dbraw/zinc/29/01/29/1069290129.db2.gz XKAFXZXHMSEQKK-OAHLLOKOSA-N 0 0 452.493 -0.762 20 5 JBBDRN CCOC(=O)c1nc(Cl)nc(-n2cncc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])c1[N+](=O)[O-] ZINC001159597525 1069357238 /nfs/dbraw/zinc/35/72/38/1069357238.db2.gz IETPFUAAKSACEJ-VIFPVBQESA-N 0 0 455.815 -0.139 20 5 JBBDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cc([N+](=O)[O-])cc[n+]2[O-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001159820542 1069370529 /nfs/dbraw/zinc/37/05/29/1069370529.db2.gz LPFDDIBEHUSHIZ-WSIUPNEHSA-N 0 0 485.402 -0.277 20 5 JBBDRN N[C@H]1[C@H](n2ccc(Nc3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160092843 1069379879 /nfs/dbraw/zinc/37/98/79/1069379879.db2.gz NHEBXMPMTMJREV-BNEJOLLZSA-N 0 0 459.394 -0.097 20 5 JBBDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNc1cc([N+](=O)[O-])cc[n+]1[O-])C(N)=O ZINC001162273402 1069439170 /nfs/dbraw/zinc/43/91/70/1069439170.db2.gz LUTVFOBSCBGALW-KBPBESRZSA-N 0 0 456.525 -0.106 20 5 JBBDRN COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O ZINC001163432456 1069452406 /nfs/dbraw/zinc/45/24/06/1069452406.db2.gz HUDXEBLSOOCIEA-VFVAKGGASA-N 0 0 461.431 -0.144 20 5 JBBDRN C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)Nc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])C(N)=O ZINC001163432541 1069452512 /nfs/dbraw/zinc/45/25/12/1069452512.db2.gz KPSUESONPYYMEQ-YYFNMXAFSA-N 0 0 453.839 -0.039 20 5 JBBDRN COC(=O)c1cnc(N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)c([N+](=O)[O-])c1 ZINC001163432545 1069452460 /nfs/dbraw/zinc/45/24/60/1069452460.db2.gz JOYGQCWIJXCVON-OOVXXXAESA-N 0 0 461.431 -0.144 20 5 JBBDRN COc1nc(N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)nc(OC)c1[N+](=O)[O-] ZINC001163433221 1069453209 /nfs/dbraw/zinc/45/32/09/1069453209.db2.gz NHNUBLIKKGTXLO-ICCXJUOJSA-N 0 0 464.435 -0.518 20 5 JBBDRN C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)Nc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])C(N)=O ZINC001163433864 1069453223 /nfs/dbraw/zinc/45/32/23/1069453223.db2.gz PUKUQTADSUCEJU-LQJRIPTKSA-N 0 0 453.839 -0.039 20 5 JBBDRN COC(=O)c1ccnc(N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)c1[N+](=O)[O-] ZINC001163433998 1069453094 /nfs/dbraw/zinc/45/30/94/1069453094.db2.gz RFDJZOSRWYVTOL-ONERCXAPSA-N 0 0 461.431 -0.144 20 5 JBBDRN COC(=O)c1nc(Cl)nc(N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)c1[N+](=O)[O-] ZINC001163434285 1069453102 /nfs/dbraw/zinc/45/31/02/1069453102.db2.gz WORABUIFXDJAER-ZHAHWJHGSA-N 0 0 496.864 -0.096 20 5 JBBDRN CNC(=O)NC[C@H]1CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CCO1 ZINC001163743380 1069459765 /nfs/dbraw/zinc/45/97/65/1069459765.db2.gz CGSLYMFMAYKOJQ-AWEZNQCLSA-N 0 0 456.525 -0.335 20 5 JBBDRN CNC(=O)NC[C@@H]1CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CCO1 ZINC001163743381 1069459977 /nfs/dbraw/zinc/45/99/77/1069459977.db2.gz CGSLYMFMAYKOJQ-CQSZACIVSA-N 0 0 456.525 -0.335 20 5 JBBDRN COc1ncnc(N2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001165611577 1069467379 /nfs/dbraw/zinc/46/73/79/1069467379.db2.gz KLBJFGJXSHPVJQ-KUHUBIRLSA-N 0 0 484.535 -0.127 20 5 JBBDRN CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CCN(c3cc([N+](=O)[O-])cc[n+]3[O-])CC[C@@H]12 ZINC001165612487 1069467366 /nfs/dbraw/zinc/46/73/66/1069467366.db2.gz QJOOTHIAMWINBV-APWZRJJASA-N 0 0 469.520 -0.293 20 5 JBBDRN COc1nc(N2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC001165612757 1069467958 /nfs/dbraw/zinc/46/79/58/1069467958.db2.gz UMGNONKIJCHPHA-BEFAXECRSA-N 0 0 484.535 -0.127 20 5 JBBDRN COC(=O)c1cnc(N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC001165834810 1069473121 /nfs/dbraw/zinc/47/31/21/1069473121.db2.gz CXTATMOLDFYIPN-IIAWOOMASA-N 0 0 468.488 -0.125 20 5 JBBDRN COC(=O)c1cnc(N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC001165834811 1069473035 /nfs/dbraw/zinc/47/30/35/1069473035.db2.gz CXTATMOLDFYIPN-SQWLQELKSA-N 0 0 468.488 -0.125 20 5 JBBDRN O=C([C@H]1CCS(=O)(=O)[C@@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]21)N1CCOCC1 ZINC001165835813 1069473534 /nfs/dbraw/zinc/47/35/34/1069473534.db2.gz KXVFOMDZOLFDJJ-GZBFAFLISA-N 0 0 455.449 -0.004 20 5 JBBDRN O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]21)N1CCOCC1 ZINC001165835818 1069473607 /nfs/dbraw/zinc/47/36/07/1069473607.db2.gz KXVFOMDZOLFDJJ-UMVBOHGHSA-N 0 0 455.449 -0.004 20 5 JBBDRN COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001165838248 1069473598 /nfs/dbraw/zinc/47/35/98/1069473598.db2.gz ZHDOSDVBAMBVFS-FVQBIDKESA-N 0 0 468.488 -0.125 20 5 JBBDRN COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001165838251 1069473625 /nfs/dbraw/zinc/47/36/25/1069473625.db2.gz ZHDOSDVBAMBVFS-NUEKZKHPSA-N 0 0 468.488 -0.125 20 5 JBBDRN COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)n1 ZINC001165839596 1069474269 /nfs/dbraw/zinc/47/42/69/1069474269.db2.gz GHCAJDAQDSTABR-BFHYXJOUSA-N 0 0 455.493 -0.200 20 5 JBBDRN COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)n1 ZINC001165839601 1069474988 /nfs/dbraw/zinc/47/49/88/1069474988.db2.gz GHCAJDAQDSTABR-MGPQQGTHSA-N 0 0 455.493 -0.200 20 5 JBBDRN O=C([C@H]1CCS(=O)(=O)[C@@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@@H]21)N1CCOCC1 ZINC001165839964 1069475072 /nfs/dbraw/zinc/47/50/72/1069475072.db2.gz KIOYBPGYNOMENQ-OUCADQQQSA-N 0 0 460.896 -0.020 20 5 JBBDRN O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@@H]21)N1CCOCC1 ZINC001165839965 1069474943 /nfs/dbraw/zinc/47/49/43/1069474943.db2.gz KIOYBPGYNOMENQ-YRGRVCCFSA-N 0 0 460.896 -0.020 20 5 JBBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)n1 ZINC001165840806 1069475642 /nfs/dbraw/zinc/47/56/42/1069475642.db2.gz JQIFCRCOQWACKL-WOSRLPQWSA-N 0 0 468.488 -0.125 20 5 JBBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)n1 ZINC001165840807 1069475610 /nfs/dbraw/zinc/47/56/10/1069475610.db2.gz JQIFCRCOQWACKL-XJKCOSOUSA-N 0 0 468.488 -0.125 20 5 JBBDRN COc1nc(N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)nc(OC)c1[N+](=O)[O-] ZINC001165840935 1069476442 /nfs/dbraw/zinc/47/64/42/1069476442.db2.gz RDWDNGILGHBWQO-JHJVBQTASA-N 0 0 471.492 -0.500 20 5 JBBDRN COc1nc(N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)nc(OC)c1[N+](=O)[O-] ZINC001165840938 1069476476 /nfs/dbraw/zinc/47/64/76/1069476476.db2.gz RDWDNGILGHBWQO-YNEHKIRRSA-N 0 0 471.492 -0.500 20 5 JBBDRN COC(=O)c1ccnc(N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)c1[N+](=O)[O-] ZINC001165841037 1069476293 /nfs/dbraw/zinc/47/62/93/1069476293.db2.gz SPLVEFNWZBELKX-BPLDGKMQSA-N 0 0 468.488 -0.125 20 5 JBBDRN COC(=O)c1ccnc(N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)c1[N+](=O)[O-] ZINC001165841038 1069476504 /nfs/dbraw/zinc/47/65/04/1069476504.db2.gz SPLVEFNWZBELKX-NWANDNLSSA-N 0 0 468.488 -0.125 20 5 JBBDRN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)n1 ZINC001165842289 1069477096 /nfs/dbraw/zinc/47/70/96/1069477096.db2.gz PBGRSUKLPZGMKE-RBSFLKMASA-N 0 0 482.519 -0.250 20 5 JBBDRN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)n1 ZINC001165842303 1069477009 /nfs/dbraw/zinc/47/70/09/1069477009.db2.gz PBGRSUKLPZGMKE-RRFJBIMHSA-N 0 0 482.519 -0.250 20 5 JBBDRN COc1nc(N2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)nc(OC)c1[N+](=O)[O-] ZINC001166331720 1069481970 /nfs/dbraw/zinc/48/19/70/1069481970.db2.gz HHXQGGUJYRJOMB-VXGBXAGGSA-N 0 0 458.497 -0.279 20 5 JBBDRN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)n1 ZINC001166332367 1069482720 /nfs/dbraw/zinc/48/27/20/1069482720.db2.gz ALGGXJKMSLGCMB-ZIAGYGMSSA-N 0 0 469.524 -0.030 20 5 JBBDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCC(N)=O ZINC001166894035 1069487301 /nfs/dbraw/zinc/48/73/01/1069487301.db2.gz KJGRPZBYUANMKD-STQMWFEESA-N 0 0 451.440 -0.001 20 5 JBBDRN COC(=O)c1cnc(N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)c([N+](=O)[O-])c1 ZINC001166894119 1069487897 /nfs/dbraw/zinc/48/78/97/1069487897.db2.gz LDZOCMYCONXNHI-KBPBESRZSA-N 0 0 464.479 -0.122 20 5 JBBDRN COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001166894231 1069487869 /nfs/dbraw/zinc/48/78/69/1069487869.db2.gz MTRSYXRMBXXURR-GJZGRUSLSA-N 0 0 464.479 -0.122 20 5 JBBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)n1 ZINC001166894608 1069487922 /nfs/dbraw/zinc/48/79/22/1069487922.db2.gz QSUFTJPGNNZWDK-ZFWWWQNUSA-N 0 0 464.479 -0.122 20 5 JBBDRN COC(=O)c1nc(Cl)nc(N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)c1[N+](=O)[O-] ZINC001166894671 1069487905 /nfs/dbraw/zinc/48/79/05/1069487905.db2.gz QIYUBCWOJJMCFF-QWRGUYRKSA-N 0 0 499.912 -0.074 20 5 JBBDRN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)n1 ZINC001166894917 1069487855 /nfs/dbraw/zinc/48/78/55/1069487855.db2.gz TVBRDHPTBZHSBO-KBPBESRZSA-N 0 0 478.510 -0.247 20 5 JBBDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])C(=O)NCC(N)=O ZINC001166896451 1069488491 /nfs/dbraw/zinc/48/84/91/1069488491.db2.gz LQEODXJNXPVYQX-STQMWFEESA-N 0 0 456.887 -0.017 20 5 JBBDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1c1c([N+](=O)[O-])cc[n+]([O-])c1Cl)C(=O)NCC(N)=O ZINC001166896505 1069488406 /nfs/dbraw/zinc/48/84/06/1069488406.db2.gz NHTZLQWLRAWARU-AAEUAGOBSA-N 0 0 456.887 -0.017 20 5 JBBDRN COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)n1 ZINC001166897008 1069488939 /nfs/dbraw/zinc/48/89/39/1069488939.db2.gz SGKYQWPAIMMWEC-STQMWFEESA-N 0 0 451.484 -0.197 20 5 JBBDRN COc1nc(N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)nc(OC)c1[N+](=O)[O-] ZINC001166897012 1069489049 /nfs/dbraw/zinc/48/90/49/1069489049.db2.gz SMTCNMSPPDTSFH-RYUDHWBXSA-N 0 0 467.483 -0.497 20 5 JBBDRN COC(=O)c1ccnc(N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)c1[N+](=O)[O-] ZINC001166897032 1069489107 /nfs/dbraw/zinc/48/91/07/1069489107.db2.gz UGZCODZEFOIOKM-KBPBESRZSA-N 0 0 464.479 -0.122 20 5 JBBDRN O=C(CN1CCN2C(=O)NC[C@H]2C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001167568153 1067674369 /nfs/dbraw/zinc/67/43/69/1067674369.db2.gz OGJGZMLIXRILLJ-HNNXBMFYSA-N 0 0 452.493 -0.863 20 5 JBBDRN O=C(CN1CCN2C(=O)NC[C@@H]2C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001167568154 1067674338 /nfs/dbraw/zinc/67/43/38/1067674338.db2.gz OGJGZMLIXRILLJ-OAHLLOKOSA-N 0 0 452.493 -0.863 20 5 JBBDRN O=C(CN1CCN(C2CC2)C(=O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001167578149 1067675656 /nfs/dbraw/zinc/67/56/56/1067675656.db2.gz YIMMUCQCZCTGRP-UHFFFAOYSA-N 0 0 451.505 -0.266 20 5 JBBDRN CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C(C)(C)C1=O ZINC001167667698 1067681244 /nfs/dbraw/zinc/68/12/44/1067681244.db2.gz JGTVGRJUHSXBBM-UHFFFAOYSA-N 0 0 453.521 -0.020 20 5 JBBDRN O=c1oc(=O)c2c(NC(CO)(CO)CO)cc3c(=O)oc(=O)c4c(Br)cc1c2c34 ZINC001167929865 1067743738 /nfs/dbraw/zinc/74/37/38/1067743738.db2.gz DFEINXRGEIKSOT-UHFFFAOYSA-N 0 0 466.196 -0.461 20 5 JBBDRN O=c1oc(=O)c2c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)cc3c(=O)oc(=O)c4c(Br)cc1c2c34 ZINC001168048710 1067929649 /nfs/dbraw/zinc/92/96/49/1067929649.db2.gz IOHKKQLRNLRUCC-CIICDPHLSA-N 0 0 492.234 -0.074 20 5 JBBDRN C[C@H](O)C[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001169102493 1068494321 /nfs/dbraw/zinc/49/43/21/1068494321.db2.gz MUPUEHCXECOTER-DOTOQJQBSA-N 0 0 456.521 -0.101 20 5 JBBDRN C[C@@H](O)C[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001169102496 1068494728 /nfs/dbraw/zinc/49/47/28/1068494728.db2.gz MUPUEHCXECOTER-NVXWUHKLSA-N 0 0 456.521 -0.101 20 5 JBBDRN C[C@H](O)C[C@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001169102497 1068495130 /nfs/dbraw/zinc/49/51/30/1068495130.db2.gz MUPUEHCXECOTER-RDJZCZTQSA-N 0 0 456.521 -0.101 20 5 JBBDRN C[C@@H](O)C[C@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001169102498 1068495562 /nfs/dbraw/zinc/49/55/62/1068495562.db2.gz MUPUEHCXECOTER-WBVHZDCISA-N 0 0 456.521 -0.101 20 5 JBBDRN COC(=O)C(C(=O)OC)c1ncc(NCCN2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC001169338477 1068499010 /nfs/dbraw/zinc/49/90/10/1068499010.db2.gz UYPLQTNDOINQKE-UHFFFAOYSA-N 0 0 459.481 -0.592 20 5 JBBDRN C[C@H](O)CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001169520744 1068501154 /nfs/dbraw/zinc/50/11/54/1068501154.db2.gz ZOOPNHHAQUIJAR-INIZCTEOSA-N 0 0 455.537 -0.574 20 5 JBBDRN O=C(CN1CCO[C@@]2(CCOC2)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001169582830 1068501978 /nfs/dbraw/zinc/50/19/78/1068501978.db2.gz URUZIRLBDFADMG-IBGZPJMESA-N 0 0 454.505 -0.081 20 5 JBBDRN O=C(CN1CCO[C@]2(CCOC2)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001169582831 1068501735 /nfs/dbraw/zinc/50/17/35/1068501735.db2.gz URUZIRLBDFADMG-LJQANCHMSA-N 0 0 454.505 -0.081 20 5 JBBDRN COC(=O)[C@H]1[C@@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]21 ZINC001170534824 1068527328 /nfs/dbraw/zinc/52/73/28/1068527328.db2.gz DQVYPPMGONEIDO-VQFNDLOPSA-N 0 0 452.489 -0.222 20 5 JBBDRN CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(-n2cncc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])n1 ZINC001170688229 1068537595 /nfs/dbraw/zinc/53/75/95/1068537595.db2.gz YPTHHZMEIAWJMN-QMMMGPOBSA-N 0 0 461.844 -0.912 20 5 JBBDRN COC(=O)C(C(=O)OC)c1ncc(-n2cncc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])cc1[N+](=O)[O-] ZINC001170688441 1068537542 /nfs/dbraw/zinc/53/75/42/1068537542.db2.gz PKTNVJIISGETQF-LBPRGKRZSA-N 0 0 478.418 -0.934 20 5 JBBDRN CCOC(=O)COc1ncc(-n2cncc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])cc1[N+](=O)[O-] ZINC001170691212 1068537634 /nfs/dbraw/zinc/53/76/34/1068537634.db2.gz HZGILGCPWGGLDZ-ZDUSSCGKSA-N 0 0 450.408 -0.422 20 5 JBBDRN COC(=O)C(C(=O)OC)c1cc(-n2cncc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])ccc1[N+](=O)[O-] ZINC001170693377 1068538254 /nfs/dbraw/zinc/53/82/54/1068538254.db2.gz LAAYXUHVJROPAJ-AWEZNQCLSA-N 0 0 477.430 -0.329 20 5 JBBDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2nccnc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170941904 1068554158 /nfs/dbraw/zinc/55/41/58/1068554158.db2.gz KSMBZOKQFZWFIW-VFCJXBEMSA-N 0 0 470.391 -0.120 20 5 JBBDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170942116 1068554887 /nfs/dbraw/zinc/55/48/87/1068554887.db2.gz NXYLGPGVFGBXQI-WRQOLXDDSA-N 0 0 470.391 -0.120 20 5 JBBDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cc([N+](=O)[O-])c(=O)n(C)c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170943399 1068556080 /nfs/dbraw/zinc/55/60/80/1068556080.db2.gz YMAIPRBPNSBSMQ-HGJKNBTDSA-N 0 0 499.429 -0.212 20 5 JBBDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cnc([N+](=O)[O-])cn2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170944065 1068555969 /nfs/dbraw/zinc/55/59/69/1068555969.db2.gz ROXSCSDRKRZVNW-WYGQYTNYSA-N 0 0 470.391 -0.120 20 5 JBBDRN Cc1cn(CC(=O)NCCNc2nc(S(C)(=O)=O)nc(Cl)c2[N+](=O)[O-])c(=O)[nH]c1=O ZINC001171081989 1068568395 /nfs/dbraw/zinc/56/83/95/1068568395.db2.gz LUFPFQOWDWFGSL-UHFFFAOYSA-N 0 0 461.844 -0.759 20 5 JBBDRN CCOC(=O)COc1ncc(NCCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)cc1[N+](=O)[O-] ZINC001171083697 1068570022 /nfs/dbraw/zinc/57/00/22/1068570022.db2.gz CNQSMXBUCYQAOK-UHFFFAOYSA-N 0 0 450.408 -0.269 20 5 JBBDRN COC(=O)C(C(=O)OC)c1ncc(NCCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)cc1[N+](=O)[O-] ZINC001171085398 1068568878 /nfs/dbraw/zinc/56/88/78/1068568878.db2.gz YTGFMMMMTWOXQR-UHFFFAOYSA-N 0 0 478.418 -0.782 20 5 JBBDRN N[C@H]1[C@H](n2ccc(Nc3ncccc3NC(=O)c3ccccc3[N+](=O)[O-])nc2=O)O[C@H](CO)[C@H]1O ZINC001171262003 1068593904 /nfs/dbraw/zinc/59/39/04/1068593904.db2.gz ZETKTJDPERILMS-WVSUBDOOSA-N 0 0 483.441 -0.046 20 5 JBBDRN N[C@H]1[C@H](n2ccc(Nc3cnc(Oc4ccc([N+](=O)[O-])cc4)nc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264687 1068596801 /nfs/dbraw/zinc/59/68/01/1068596801.db2.gz ROSJVIWTUAGXCX-MWQQHZPXSA-N 0 0 457.403 -0.111 20 5 JBBDRN COC(=O)COc1c(C)cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)cc1[N+](=O)[O-] ZINC001171266548 1068597785 /nfs/dbraw/zinc/59/77/85/1068597785.db2.gz KGJAFUIEOFONJK-HALQFCHDSA-N 0 0 465.419 -0.833 20 5 JBBDRN COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)n1 ZINC001171267287 1068598592 /nfs/dbraw/zinc/59/85/92/1068598592.db2.gz WOPSYZYNUVIIPJ-NMFUWQPSSA-N 0 0 455.811 -0.087 20 5 JBBDRN CC1(C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](CO)O1 ZINC001171322961 1068624394 /nfs/dbraw/zinc/62/43/94/1068624394.db2.gz TUOUYKMAWGJRGY-INIZCTEOSA-N 0 0 456.521 -0.101 20 5 JBBDRN CC1(C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](CO)O1 ZINC001171322963 1068624263 /nfs/dbraw/zinc/62/42/63/1068624263.db2.gz TUOUYKMAWGJRGY-MRXNPFEDSA-N 0 0 456.521 -0.101 20 5 JBBDRN N[C@H]1[C@H](n2ccc(NC3CCN(c4c(F)cc([N+](=O)[O-])cc4F)CC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001173009353 1068640578 /nfs/dbraw/zinc/64/05/78/1068640578.db2.gz NXMCDEIIIYDWIY-YCEFEEMOSA-N 0 0 482.444 -0.077 20 5 JBBDRN COc1ccc([N+](=O)[O-])c(C[C@@H](C)Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)c1F ZINC001173184281 1068641345 /nfs/dbraw/zinc/64/13/45/1068641345.db2.gz PPDKDYGVVJQWMN-DXHVUENVSA-N 0 0 453.427 -0.246 20 5 JBBDRN COc1ccc([N+](=O)[O-])c(C[C@H](C)Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)c1F ZINC001173184282 1068641523 /nfs/dbraw/zinc/64/15/23/1068641523.db2.gz PPDKDYGVVJQWMN-MGFVZNILSA-N 0 0 453.427 -0.246 20 5 JBBDRN O=C([C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN2CCOC[C@@]2(CO)C1 ZINC001178893308 1068698290 /nfs/dbraw/zinc/69/82/90/1068698290.db2.gz ILHBWYUZGAGFFY-HKUYNNGSSA-N 0 0 454.505 -0.347 20 5 JBBDRN O=C([C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN2CCOC[C@]2(CO)C1 ZINC001178893309 1068698235 /nfs/dbraw/zinc/69/82/35/1068698235.db2.gz ILHBWYUZGAGFFY-IEBWSBKVSA-N 0 0 454.505 -0.347 20 5 JBBDRN O=C([C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN2CCOC[C@@]2(CO)C1 ZINC001178893310 1068698258 /nfs/dbraw/zinc/69/82/58/1068698258.db2.gz ILHBWYUZGAGFFY-MJGOQNOKSA-N 0 0 454.505 -0.347 20 5 JBBDRN O=C([C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN2CCOC[C@]2(CO)C1 ZINC001178893311 1068698285 /nfs/dbraw/zinc/69/82/85/1068698285.db2.gz ILHBWYUZGAGFFY-PKOBYXMFSA-N 0 0 454.505 -0.347 20 5 JBBDRN CN1CCN(C(=O)CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001181486280 1068732631 /nfs/dbraw/zinc/73/26/31/1068732631.db2.gz JSERWLZNKZNINS-HNNXBMFYSA-N 0 0 453.521 -0.114 20 5 JBBDRN CN1CCN(C(=O)CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001181486281 1068732818 /nfs/dbraw/zinc/73/28/18/1068732818.db2.gz JSERWLZNKZNINS-OAHLLOKOSA-N 0 0 453.521 -0.114 20 5 JBBDRN CNC(=O)CN1CCCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC1 ZINC001187662965 1068865580 /nfs/dbraw/zinc/86/55/80/1068865580.db2.gz QKRRAEHQLQZEMK-UHFFFAOYSA-N 0 0 454.553 -0.211 20 5 JBBDRN O=C(CN1CCN2C(=O)NC[C@H]2C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001191374963 1068898770 /nfs/dbraw/zinc/89/87/70/1068898770.db2.gz MNPPRQZLLKMTPG-HNNXBMFYSA-N 0 0 452.493 -0.863 20 5 JBBDRN O=C(CN1CCN2C(=O)NC[C@@H]2C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001191374964 1068898900 /nfs/dbraw/zinc/89/89/00/1068898900.db2.gz MNPPRQZLLKMTPG-OAHLLOKOSA-N 0 0 452.493 -0.863 20 5 JBBDRN O=C(CN1CCN2C(=O)OC[C@@H]2C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001191519816 1068899648 /nfs/dbraw/zinc/89/96/48/1068899648.db2.gz DECKVXCMKYTQTK-HNNXBMFYSA-N 0 0 453.477 -0.436 20 5 JBBDRN O=C(CN1CCN2C(=O)OC[C@H]2C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001191519818 1068900395 /nfs/dbraw/zinc/90/03/95/1068900395.db2.gz DECKVXCMKYTQTK-OAHLLOKOSA-N 0 0 453.477 -0.436 20 5 JBBDRN C[C@H](O)C[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001193210827 1068911721 /nfs/dbraw/zinc/91/17/21/1068911721.db2.gz QTOZINBGOWNKKP-DOTOQJQBSA-N 0 0 456.521 -0.101 20 5 JBBDRN C[C@@H](O)C[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001193210828 1068912261 /nfs/dbraw/zinc/91/22/61/1068912261.db2.gz QTOZINBGOWNKKP-NVXWUHKLSA-N 0 0 456.521 -0.101 20 5 JBBDRN C[C@H](O)C[C@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001193210829 1068912336 /nfs/dbraw/zinc/91/23/36/1068912336.db2.gz QTOZINBGOWNKKP-RDJZCZTQSA-N 0 0 456.521 -0.101 20 5 JBBDRN C[C@@H](O)C[C@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001193210830 1068912325 /nfs/dbraw/zinc/91/23/25/1068912325.db2.gz QTOZINBGOWNKKP-WBVHZDCISA-N 0 0 456.521 -0.101 20 5 JBBDRN COC(=O)[C@H]1[C@@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)C[C@@H]21 ZINC001194588756 1068922798 /nfs/dbraw/zinc/92/27/98/1068922798.db2.gz KRLDYVQFUQZLSR-VQFNDLOPSA-N 0 0 452.489 -0.222 20 5 JBBDRN CC1(C)CN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C[C@@H](CO)O1 ZINC001195299899 1068928204 /nfs/dbraw/zinc/92/82/04/1068928204.db2.gz QHWJCMKOEWHTEC-INIZCTEOSA-N 0 0 456.521 -0.101 20 5 JBBDRN CC1(C)CN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C[C@H](CO)O1 ZINC001195299903 1068928320 /nfs/dbraw/zinc/92/83/20/1068928320.db2.gz QHWJCMKOEWHTEC-MRXNPFEDSA-N 0 0 456.521 -0.101 20 5 JBBDRN O=C1NC[C@@H]2CN(S(=O)(=O)c3cc(Br)c(F)cc3[N+](=O)[O-])CCN2C1=O ZINC001210802797 1069496431 /nfs/dbraw/zinc/49/64/31/1069496431.db2.gz KXAHLVBLCWVAJJ-SSDOTTSWSA-N 0 0 451.230 -0.172 20 5 JBBDRN O=C1NC[C@H]2CN(S(=O)(=O)c3cc(Br)c(F)cc3[N+](=O)[O-])CCN2C1=O ZINC001210802805 1069496280 /nfs/dbraw/zinc/49/62/80/1069496280.db2.gz KXAHLVBLCWVAJJ-ZETCQYMHSA-N 0 0 451.230 -0.172 20 5 JBBDRN CCOC(=O)c1cc(Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc([N+](=O)[O-])c1 ZINC001211367801 1069498748 /nfs/dbraw/zinc/49/87/48/1069498748.db2.gz VCYKYOPXNSPRFF-LSCFUAHRSA-N 0 0 451.392 -0.578 20 5 JBBDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001226772678 1069602956 /nfs/dbraw/zinc/60/29/56/1069602956.db2.gz CPXXGVIZBVZHAC-UHFFFAOYSA-N 0 0 456.525 -0.207 20 5 JBBDRN COc1cc(N2CCC(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)CC2)ccc1[N+](=O)[O-] ZINC001256101030 1069718502 /nfs/dbraw/zinc/71/85/02/1069718502.db2.gz KQXFJDTWMCPPEP-VBSBHUPXSA-N 0 0 476.490 -0.347 20 5 JBBDRN CNS(=O)(=O)N1CCN(C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)CC1 ZINC001297793337 1070048078 /nfs/dbraw/zinc/04/80/78/1070048078.db2.gz DDZBDILCUZLDOI-UHFFFAOYSA-N 0 0 454.509 -0.515 20 5 JBBDRN O=C(CN1CCN(C2CC2)C(=O)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001307512960 1070339998 /nfs/dbraw/zinc/33/99/98/1070339998.db2.gz HLRZEBALDNIZJY-UHFFFAOYSA-N 0 0 451.505 -0.266 20 5 JBBDRN CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C(C)(C)C1=O ZINC001307529871 1070339803 /nfs/dbraw/zinc/33/98/03/1070339803.db2.gz ZZHNYCRCMUBCOV-UHFFFAOYSA-N 0 0 453.521 -0.020 20 5 JBBDRN COCC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001307647145 1070342378 /nfs/dbraw/zinc/34/23/78/1070342378.db2.gz HITNHUPERAWZOJ-UHFFFAOYSA-N 0 0 456.521 -0.099 20 5 JBBDRN C[C@H](O)CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001307702650 1070343746 /nfs/dbraw/zinc/34/37/46/1070343746.db2.gz PTXAKOSASDRXLE-INIZCTEOSA-N 0 0 455.537 -0.574 20 5 JBBDRN O=C(CN1CCO[C@@]2(CCOC2)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001307706004 1070343584 /nfs/dbraw/zinc/34/35/84/1070343584.db2.gz PHOLFSDWTWTKSU-IBGZPJMESA-N 0 0 454.505 -0.081 20 5 JBBDRN O=C(CN1CCO[C@]2(CCOC2)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001307706017 1070343692 /nfs/dbraw/zinc/34/36/92/1070343692.db2.gz PHOLFSDWTWTKSU-LJQANCHMSA-N 0 0 454.505 -0.081 20 5 JBBDRN O=C(CN1[C@@H]2CC[C@H]1CNC(=O)C2)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001307983772 1070345654 /nfs/dbraw/zinc/34/56/54/1070345654.db2.gz OWHYWMWEZHCQPC-ZBFHGGJFSA-N 0 0 451.505 -0.219 20 5 JBBDRN COCCN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001309033591 1070347525 /nfs/dbraw/zinc/34/75/25/1070347525.db2.gz IFWWRRNIEGXHLT-UHFFFAOYSA-N 0 0 452.511 -0.267 20 5 JBBDRN CNS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001315066075 1070509877 /nfs/dbraw/zinc/50/98/77/1070509877.db2.gz ZHNJSGVUEZWKID-INIZCTEOSA-N 0 0 451.509 -0.077 20 5 JBBDRN CNS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001315066076 1070510588 /nfs/dbraw/zinc/51/05/88/1070510588.db2.gz ZHNJSGVUEZWKID-MRXNPFEDSA-N 0 0 451.509 -0.077 20 5 JBBDRN CN(CC(=O)N1CCN(CC(=O)N2CCCC2)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001355702771 1070664497 /nfs/dbraw/zinc/66/44/97/1070664497.db2.gz OGDVPMYTKSVZOP-UHFFFAOYSA-N 0 0 453.521 -0.018 20 5 JBBDRN CN1CCN(C(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001443499413 1070802891 /nfs/dbraw/zinc/80/28/91/1070802891.db2.gz YYBHCCZAHAOZEB-UHFFFAOYSA-N 0 0 454.509 -0.615 20 5 JBBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001447486493 1070814464 /nfs/dbraw/zinc/81/44/64/1070814464.db2.gz GMEXBPQANCYNEL-HNNXBMFYSA-N 0 0 454.505 -0.335 20 5 JBBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001447486497 1070814810 /nfs/dbraw/zinc/81/48/10/1070814810.db2.gz GMEXBPQANCYNEL-OAHLLOKOSA-N 0 0 454.505 -0.335 20 5 JBBDRN CS(=O)(=O)N1CCC(NC(=O)CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC001459308155 1070837241 /nfs/dbraw/zinc/83/72/41/1070837241.db2.gz QMBHZKGVSFLFBX-UHFFFAOYSA-N 0 0 459.550 -0.046 20 5 JBBDRN CN(CCN1CCCC1=O)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001459480952 1070838560 /nfs/dbraw/zinc/83/85/60/1070838560.db2.gz CAHJIXUGGHPWIJ-UHFFFAOYSA-N 0 0 453.521 -0.018 20 5 JBBDRN COCCN1CN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1=O ZINC001460009560 1070843390 /nfs/dbraw/zinc/84/33/90/1070843390.db2.gz SRSRLRMVTQSNJL-UHFFFAOYSA-N 0 0 455.493 -0.824 20 5 JBBDRN CC(C)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1=O ZINC001460173947 1070845156 /nfs/dbraw/zinc/84/51/56/1070845156.db2.gz HCOIHZPRYIDMBS-UHFFFAOYSA-N 0 0 453.521 -0.020 20 5 JBBDRN CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC001460297063 1070845062 /nfs/dbraw/zinc/84/50/62/1070845062.db2.gz UZIWOIFFXBSBDN-UHFFFAOYSA-N 0 0 453.521 -0.114 20 5 JBBDRN Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c([N+](=O)[O-])s1 ZINC001462811922 1070853006 /nfs/dbraw/zinc/85/30/06/1070853006.db2.gz ACDGOIYPWXRSIH-UHFFFAOYSA-N 0 0 453.568 -0.237 20 5 JBBDRN O=C(CN1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001465380124 1068224198 /nfs/dbraw/zinc/22/41/98/1068224198.db2.gz WMCLDYDNTDEOSV-CYBMUJFWSA-N 0 0 458.468 -0.440 20 5 JBBDRN O=C(CN1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001465380125 1068224007 /nfs/dbraw/zinc/22/40/07/1068224007.db2.gz WMCLDYDNTDEOSV-ZDUSSCGKSA-N 0 0 458.468 -0.440 20 5 JBBDRN CN(CCN1CCOCC1)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001473148765 1068256027 /nfs/dbraw/zinc/25/60/27/1068256027.db2.gz DUEXDXWSNMCZFM-UHFFFAOYSA-N 0 0 455.537 -0.308 20 5 JBBDRN CNC(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001473385645 1068260299 /nfs/dbraw/zinc/26/02/99/1068260299.db2.gz DUZAETAVQHWZJY-UHFFFAOYSA-N 0 0 454.509 -0.615 20 5 JBBDRN CC(C)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1=O ZINC001473517920 1068261127 /nfs/dbraw/zinc/26/11/27/1068261127.db2.gz BMAIBKUBAXPAMY-UHFFFAOYSA-N 0 0 453.521 -0.020 20 5 JBBDRN O=C1C[C@H](S(=O)(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CN1C1CC1 ZINC001474765049 1068264213 /nfs/dbraw/zinc/26/42/13/1068264213.db2.gz FJEPQNFFBDIQRF-INIZCTEOSA-N 0 0 458.518 -0.006 20 5 JBBDRN O=C1C[C@@H](S(=O)(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CN1C1CC1 ZINC001474765050 1068264261 /nfs/dbraw/zinc/26/42/61/1068264261.db2.gz FJEPQNFFBDIQRF-MRXNPFEDSA-N 0 0 458.518 -0.006 20 5 JBBDRN O=C(NC[C@]12COCCN1C(=O)COC2)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC001479131257 1068285391 /nfs/dbraw/zinc/28/53/91/1068285391.db2.gz CKJUOLCWMVIDIB-GOSISDBHSA-N 0 0 453.477 -0.249 20 5 JBBDRN O=C(NC[C@@]12COCCN1C(=O)COC2)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC001479131258 1068285675 /nfs/dbraw/zinc/28/56/75/1068285675.db2.gz CKJUOLCWMVIDIB-SFHVURJKSA-N 0 0 453.477 -0.249 20 5 JBBDRN CNC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001503810619 1068433101 /nfs/dbraw/zinc/43/31/01/1068433101.db2.gz QJGKICQOFVTFAV-UHFFFAOYSA-N 0 0 486.533 -0.030 20 5 JBBDRN CN(C)C(=O)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001540484959 1068913097 /nfs/dbraw/zinc/91/30/97/1068913097.db2.gz YEIBQOJWQCWZRD-KRWDZBQOSA-N 0 0 453.521 -0.020 20 5 JBBDRN CN(C)C(=O)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001540484960 1068913536 /nfs/dbraw/zinc/91/35/36/1068913536.db2.gz YEIBQOJWQCWZRD-QGZVFWFLSA-N 0 0 453.521 -0.020 20 5 JBBDRN CN(CC(=O)N1CCN(C(=O)N2CCOCC2)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001540617584 1068914517 /nfs/dbraw/zinc/91/45/17/1068914517.db2.gz PXZKTGLTUXHYLW-UHFFFAOYSA-N 0 0 455.493 -0.188 20 5 JBBDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])CC2)CC1 ZINC001543694039 1068995961 /nfs/dbraw/zinc/99/59/61/1068995961.db2.gz MCKLRGHLNLLAJP-UHFFFAOYSA-N 0 0 455.493 -0.578 20 5 JBBDRN CS(=O)(=O)N1CCN(CCNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC001543904869 1068996860 /nfs/dbraw/zinc/99/68/60/1068996860.db2.gz FLMYZGJAOGLMOG-CYBMUJFWSA-N 0 0 459.550 -0.046 20 5 JBBDRN CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC001543904870 1068996886 /nfs/dbraw/zinc/99/68/86/1068996886.db2.gz FLMYZGJAOGLMOG-ZDUSSCGKSA-N 0 0 459.550 -0.046 20 5 JBBDRN O=C([C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N(CCO)CCN1CCOCC1 ZINC001545910019 1070790663 /nfs/dbraw/zinc/79/06/63/1070790663.db2.gz CPYLEXZLBXXHCN-GOSISDBHSA-N 0 0 456.521 -0.099 20 5 JBBDRN O=C([C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N(CCO)CCN1CCOCC1 ZINC001545910020 1070790449 /nfs/dbraw/zinc/79/04/49/1070790449.db2.gz CPYLEXZLBXXHCN-SFHVURJKSA-N 0 0 456.521 -0.099 20 5 JBBDRN COC(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001559491428 1069271062 /nfs/dbraw/zinc/27/10/62/1069271062.db2.gz IBFDPYZJFPFVBZ-UHFFFAOYSA-N 0 0 455.493 -0.188 20 5 JBBDRN CN(C(=O)CN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001559611909 1069272340 /nfs/dbraw/zinc/27/23/40/1069272340.db2.gz ABAVPVBFBWMOTH-HNNXBMFYSA-N 0 0 453.521 -0.522 20 5 JBBDRN CN(C(=O)CN1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001559611910 1069272299 /nfs/dbraw/zinc/27/22/99/1069272299.db2.gz ABAVPVBFBWMOTH-OAHLLOKOSA-N 0 0 453.521 -0.522 20 5 JBBDRN CN(C)C(=O)NCCN(C)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001559659713 1069273459 /nfs/dbraw/zinc/27/34/59/1069273459.db2.gz XTTGTQRPLZVCJM-UHFFFAOYSA-N 0 0 456.525 -0.369 20 5 JBBDRN COCC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001559716953 1069273975 /nfs/dbraw/zinc/27/39/75/1069273975.db2.gz WMEHNBWNHURTEN-UHFFFAOYSA-N 0 0 456.521 -0.099 20 5 JBBDRN O=C(CN1CCOC[C@@]12CCOC2)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001559786066 1069275592 /nfs/dbraw/zinc/27/55/92/1069275592.db2.gz QUDIGYMUOWAFPP-IBGZPJMESA-N 0 0 454.505 -0.081 20 5 JBBDRN O=C(CN1CCOC[C@]12CCOC2)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001559786067 1069275343 /nfs/dbraw/zinc/27/53/43/1069275343.db2.gz QUDIGYMUOWAFPP-LJQANCHMSA-N 0 0 454.505 -0.081 20 5 JBBDRN O=C(CN1[C@@H]2CC[C@H]1CNC(=O)C2)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001560048957 1069277418 /nfs/dbraw/zinc/27/74/18/1069277418.db2.gz HTJZEUOKSLVVNM-CVEARBPZSA-N 0 0 451.505 -0.219 20 5 JBBDRN Cc1cc(OCC(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC001565965650 1069298228 /nfs/dbraw/zinc/29/82/28/1069298228.db2.gz MHKZKRJNPFGBLX-HNNXBMFYSA-N 0 0 454.505 -0.270 20 5 JBBDRN Cc1cc(OCC(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC001565965651 1069298035 /nfs/dbraw/zinc/29/80/35/1069298035.db2.gz MHKZKRJNPFGBLX-OAHLLOKOSA-N 0 0 454.505 -0.270 20 5 JBBDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC001566961014 1069302106 /nfs/dbraw/zinc/30/21/06/1069302106.db2.gz ROXVHEQTGWIFQZ-UHFFFAOYSA-N 0 0 450.473 -0.088 20 5 JBBDRN COCCNC(=O)CN1CCN(C(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)CC1 ZINC001587417395 1069319858 /nfs/dbraw/zinc/31/98/58/1069319858.db2.gz ZKRUPBRQIFZDEU-UHFFFAOYSA-N 0 0 455.418 -0.060 20 5 JBBDRN COC(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001615214576 1069479636 /nfs/dbraw/zinc/47/96/36/1069479636.db2.gz GBFQKEMYVOZBOC-UHFFFAOYSA-N 0 0 455.493 -0.188 20 5 JBBDRN CN(CCN1CCOCC1)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001615422231 1069484561 /nfs/dbraw/zinc/48/45/61/1069484561.db2.gz CXVPJFNBIDIUKV-UHFFFAOYSA-N 0 0 455.537 -0.308 20 5 JBBDRN CS(=O)(=O)c1ccc(N2CCN(CC(=O)NCC(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001616098590 1069512388 /nfs/dbraw/zinc/51/23/88/1069512388.db2.gz HZRULRCMSNLPNN-UHFFFAOYSA-N 0 0 453.521 -0.141 20 5 JBBDRN CN(C)C(=O)NCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001616410779 1069519520 /nfs/dbraw/zinc/51/95/20/1069519520.db2.gz KVHJFOLIPXGHAT-UHFFFAOYSA-N 0 0 456.525 -0.369 20 5 JBBDRN CNC(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001617225001 1069527326 /nfs/dbraw/zinc/52/73/26/1069527326.db2.gz IGSAOOQIIQZCFV-UHFFFAOYSA-N 0 0 454.509 -0.615 20 5 JBBDRN O=C(CN1CCOC[C@@]12CCOC2)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001617498510 1069540950 /nfs/dbraw/zinc/54/09/50/1069540950.db2.gz KENIMWFNYAFGJJ-IBGZPJMESA-N 0 0 454.505 -0.081 20 5 JBBDRN O=C(CN1CCOC[C@]12CCOC2)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001617498511 1069540694 /nfs/dbraw/zinc/54/06/94/1069540694.db2.gz KENIMWFNYAFGJJ-LJQANCHMSA-N 0 0 454.505 -0.081 20 5 JBBDRN CS(=O)(=O)N1CCC(NC(=O)CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001618223368 1069556966 /nfs/dbraw/zinc/55/69/66/1069556966.db2.gz XIHBCOINZWKNSL-UHFFFAOYSA-N 0 0 453.521 -0.107 20 5 JBBDRN O=C(CN1CCOCC1)N1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CC1 ZINC001623783593 1069702196 /nfs/dbraw/zinc/70/21/96/1069702196.db2.gz JAXXFEDQKHIKOD-UHFFFAOYSA-N 0 0 459.459 -0.135 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(C)C(=O)C3)CC2)cc1[N+](=O)[O-] ZINC001624013472 1069702929 /nfs/dbraw/zinc/70/29/29/1069702929.db2.gz KDKXOOGVQQAJJT-UHFFFAOYSA-N 0 0 455.493 -0.790 20 5 JBBDRN CN1CCN(C(=O)C2CCN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001624539951 1069706002 /nfs/dbraw/zinc/70/60/02/1069706002.db2.gz XHBJDCSIHUUUOI-UHFFFAOYSA-N 0 0 453.521 -0.114 20 5 JBBDRN O=C(CCN1C(=O)CCNC1=S)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001628340779 1069726781 /nfs/dbraw/zinc/72/67/81/1069726781.db2.gz UHJWRHVMDMDJFI-UHFFFAOYSA-N 0 0 455.518 -0.075 20 5 JBBDRN CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001629522148 1069736374 /nfs/dbraw/zinc/73/63/74/1069736374.db2.gz LLJFDKJSNOXHCL-AEFFLSMTSA-N 0 0 456.521 -0.101 20 5 JBBDRN CN(C[C@H](O)CN1CCOCC1)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001629522149 1069736431 /nfs/dbraw/zinc/73/64/31/1069736431.db2.gz LLJFDKJSNOXHCL-FUHWJXTLSA-N 0 0 456.521 -0.101 20 5 JBBDRN CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001629522150 1069736448 /nfs/dbraw/zinc/73/64/48/1069736448.db2.gz LLJFDKJSNOXHCL-SJLPKXTDSA-N 0 0 456.521 -0.101 20 5 JBBDRN CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001629522151 1069736294 /nfs/dbraw/zinc/73/62/94/1069736294.db2.gz LLJFDKJSNOXHCL-WMZOPIPTSA-N 0 0 456.521 -0.101 20 5 JBBDRN COc1cc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc([N+](=O)[O-])c1C ZINC001629840030 1069739827 /nfs/dbraw/zinc/73/98/27/1069739827.db2.gz CWTLGBIFVMTMLK-HNNXBMFYSA-N 0 0 454.505 -0.027 20 5 JBBDRN COc1cc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc([N+](=O)[O-])c1C ZINC001629840031 1069740028 /nfs/dbraw/zinc/74/00/28/1069740028.db2.gz CWTLGBIFVMTMLK-OAHLLOKOSA-N 0 0 454.505 -0.027 20 5 JBBDRN COc1ccc(CC(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] ZINC001629840635 1069739890 /nfs/dbraw/zinc/73/98/90/1069739890.db2.gz KPRALCCZDXMQKU-HNNXBMFYSA-N 0 0 454.505 -0.407 20 5 JBBDRN COc1ccc(CC(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] ZINC001629840636 1069739810 /nfs/dbraw/zinc/73/98/10/1069739810.db2.gz KPRALCCZDXMQKU-OAHLLOKOSA-N 0 0 454.505 -0.407 20 5 JBBDRN CN(CC(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1[N+](=O)[O-] ZINC001629841183 1069740694 /nfs/dbraw/zinc/74/06/94/1069740694.db2.gz QUBANJKHVMZHGR-HNNXBMFYSA-N 0 0 453.521 -0.522 20 5 JBBDRN CN(CC(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1[N+](=O)[O-] ZINC001629841184 1069740659 /nfs/dbraw/zinc/74/06/59/1069740659.db2.gz QUBANJKHVMZHGR-OAHLLOKOSA-N 0 0 453.521 -0.522 20 5 JBBDRN O=C(CN1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001634307107 1069775028 /nfs/dbraw/zinc/77/50/28/1069775028.db2.gz MDPRZBBVZHWDRI-HNNXBMFYSA-N 0 0 454.505 -0.189 20 5 JBBDRN O=C(CN1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001634307108 1069775052 /nfs/dbraw/zinc/77/50/52/1069775052.db2.gz MDPRZBBVZHWDRI-OAHLLOKOSA-N 0 0 454.505 -0.189 20 5 JBBDRN O=C(NCC12COCCN1CCOC2)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001641697225 1069820435 /nfs/dbraw/zinc/82/04/35/1069820435.db2.gz QSPPDTFWEUWADY-KRWDZBQOSA-N 0 0 454.505 -0.035 20 5 JBBDRN O=C(NCC12COCCN1CCOC2)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001641697226 1069820221 /nfs/dbraw/zinc/82/02/21/1069820221.db2.gz QSPPDTFWEUWADY-QGZVFWFLSA-N 0 0 454.505 -0.035 20 5 JBBDRN CC(C)[C@@H]1C(=O)NCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001641717620 1069821204 /nfs/dbraw/zinc/82/12/04/1069821204.db2.gz CIOMYDXNTORBOY-GOSISDBHSA-N 0 0 453.521 -0.116 20 5 JBBDRN CC(C)[C@H]1C(=O)NCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001641717621 1069820708 /nfs/dbraw/zinc/82/07/08/1069820708.db2.gz CIOMYDXNTORBOY-SFHVURJKSA-N 0 0 453.521 -0.116 20 5 JBBDRN CC(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)[C@@H](C)C1 ZINC001642013440 1069822756 /nfs/dbraw/zinc/82/27/56/1069822756.db2.gz QRNARCMVDIYGHB-HNNXBMFYSA-N 0 0 453.521 -0.020 20 5 JBBDRN CC(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)[C@H](C)C1 ZINC001642013441 1069822313 /nfs/dbraw/zinc/82/23/13/1069822313.db2.gz QRNARCMVDIYGHB-OAHLLOKOSA-N 0 0 453.521 -0.020 20 5 JBBDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 ZINC001642015041 1069822733 /nfs/dbraw/zinc/82/27/33/1069822733.db2.gz HOUWDYOBHSXFLZ-CYBMUJFWSA-N 0 0 450.473 -0.088 20 5 JBBDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 ZINC001642015042 1069823008 /nfs/dbraw/zinc/82/30/08/1069823008.db2.gz HOUWDYOBHSXFLZ-ZDUSSCGKSA-N 0 0 450.473 -0.088 20 5 JBBDRN O=C(CN1CCN2C(=O)CC[C@H]2C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001642297411 1069826108 /nfs/dbraw/zinc/82/61/08/1069826108.db2.gz YKYQQOHNLYTPKM-INIZCTEOSA-N 0 0 451.505 -0.266 20 5 JBBDRN O=C(CN1CCN2C(=O)CC[C@@H]2C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001642297412 1069825985 /nfs/dbraw/zinc/82/59/85/1069825985.db2.gz YKYQQOHNLYTPKM-MRXNPFEDSA-N 0 0 451.505 -0.266 20 5 JBBDRN O=C(CN1CCN2CCOC[C@@H]2C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001642665533 1069828646 /nfs/dbraw/zinc/82/86/46/1069828646.db2.gz UJSPFQMVAYLWKV-KRWDZBQOSA-N 0 0 453.521 -0.556 20 5 JBBDRN O=C(CN1CCN2CCOC[C@H]2C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001642665534 1069828802 /nfs/dbraw/zinc/82/88/02/1069828802.db2.gz UJSPFQMVAYLWKV-QGZVFWFLSA-N 0 0 453.521 -0.556 20 5 JBBDRN CC(C)[C@@H]1C(=O)NCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001644552986 1069841177 /nfs/dbraw/zinc/84/11/77/1069841177.db2.gz GFTXNSGBXGLMJG-GOSISDBHSA-N 0 0 453.521 -0.116 20 5 JBBDRN CC(C)[C@H]1C(=O)NCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001644552987 1069840731 /nfs/dbraw/zinc/84/07/31/1069840731.db2.gz GFTXNSGBXGLMJG-SFHVURJKSA-N 0 0 453.521 -0.116 20 5 JBBDRN CN(CCN1CCCC1=O)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001644623002 1069841573 /nfs/dbraw/zinc/84/15/73/1069841573.db2.gz RETQSGIWZAKEHU-UHFFFAOYSA-N 0 0 453.521 -0.018 20 5 JBBDRN CC(=O)N1CCN(c2ccc(C(=O)NCCN(C)CCS(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC001644774177 1069842615 /nfs/dbraw/zinc/84/26/15/1069842615.db2.gz WZHPTLMRPWHUMX-UHFFFAOYSA-N 0 0 455.537 -0.031 20 5 JBBDRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001644874848 1069843471 /nfs/dbraw/zinc/84/34/71/1069843471.db2.gz MRXRURHVGMILDA-HNNXBMFYSA-N 0 0 453.521 -0.522 20 5 JBBDRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001644874849 1069843194 /nfs/dbraw/zinc/84/31/94/1069843194.db2.gz MRXRURHVGMILDA-OAHLLOKOSA-N 0 0 453.521 -0.522 20 5 JBBDRN CCN1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1=O ZINC001645300017 1069848487 /nfs/dbraw/zinc/84/84/87/1069848487.db2.gz KJFZJJVUUCMQNU-UHFFFAOYSA-N 0 0 453.521 -0.018 20 5 JBBDRN COCCN1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1=O ZINC001645403209 1069849880 /nfs/dbraw/zinc/84/98/80/1069849880.db2.gz LKNNAKPRXRZSEQ-UHFFFAOYSA-N 0 0 455.493 -0.824 20 5 JBBDRN CN1CCN(S(=O)(=O)c2ccc(N3CCN(C(C)(C)C(N)=O)CC3)c([N+](=O)[O-])c2)CC1 ZINC001650829512 1069869712 /nfs/dbraw/zinc/86/97/12/1069869712.db2.gz ZJDBJXPOHUIMHY-UHFFFAOYSA-N 0 0 454.553 -0.083 20 5 JBBDRN CNC(=O)NC[C@H]1COCCN1c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001651352555 1069870961 /nfs/dbraw/zinc/87/09/61/1069870961.db2.gz ARMQOVFVYZTYMR-AWEZNQCLSA-N 0 0 456.525 -0.335 20 5 JBBDRN CNC(=O)NC[C@@H]1COCCN1c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001651352556 1069871088 /nfs/dbraw/zinc/87/10/88/1069871088.db2.gz ARMQOVFVYZTYMR-CQSZACIVSA-N 0 0 456.525 -0.335 20 5 JBBDRN CC(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)[C@@H](C)C1 ZINC001652690068 1069874527 /nfs/dbraw/zinc/87/45/27/1069874527.db2.gz XKGRAHBTLDRJAJ-HNNXBMFYSA-N 0 0 453.521 -0.020 20 5 JBBDRN CC(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)[C@H](C)C1 ZINC001652690069 1069874568 /nfs/dbraw/zinc/87/45/68/1069874568.db2.gz XKGRAHBTLDRJAJ-OAHLLOKOSA-N 0 0 453.521 -0.020 20 5 JBBDRN O=C(CN1CCN2C(=O)CC[C@H]2C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001652917989 1069876618 /nfs/dbraw/zinc/87/66/18/1069876618.db2.gz ISTMCIZXPHADHL-INIZCTEOSA-N 0 0 451.505 -0.266 20 5 JBBDRN O=C(CN1CCN2C(=O)CC[C@@H]2C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001652917990 1069876656 /nfs/dbraw/zinc/87/66/56/1069876656.db2.gz ISTMCIZXPHADHL-MRXNPFEDSA-N 0 0 451.505 -0.266 20 5 JBBDRN O=C(CN1CCN2CCOC[C@@H]2C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001653235047 1069878582 /nfs/dbraw/zinc/87/85/82/1069878582.db2.gz YVLDWSJOZFCWGZ-KRWDZBQOSA-N 0 0 453.521 -0.556 20 5 JBBDRN O=C(CN1CCN2CCOC[C@H]2C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001653235048 1069879135 /nfs/dbraw/zinc/87/91/35/1069879135.db2.gz YVLDWSJOZFCWGZ-QGZVFWFLSA-N 0 0 453.521 -0.556 20 5 JBBDRN C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCN1CCO ZINC001653380452 1069880590 /nfs/dbraw/zinc/88/05/90/1069880590.db2.gz PXGIVJSDYSIQNK-INIZCTEOSA-N 0 0 455.537 -0.574 20 5 JBBDRN C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCN1CCO ZINC001653380453 1069880902 /nfs/dbraw/zinc/88/09/02/1069880902.db2.gz PXGIVJSDYSIQNK-MRXNPFEDSA-N 0 0 455.537 -0.574 20 5 JBBDRN O=C(CN1CC(=O)N(CC2CC2)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001653441845 1069881965 /nfs/dbraw/zinc/88/19/65/1069881965.db2.gz IZPOGXFKZSIYJI-UHFFFAOYSA-N 0 0 451.505 -0.061 20 5 JBBDRN CS(=O)(=O)N1CC(CS(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC001653616527 1069884182 /nfs/dbraw/zinc/88/41/82/1069884182.db2.gz MKHDVDXNANNLGI-UHFFFAOYSA-N 0 0 452.536 -0.365 20 5 JBBDRN C[C@H]1CN(CCO)CCN1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001653875206 1069887631 /nfs/dbraw/zinc/88/76/31/1069887631.db2.gz SEMRNYFKJFZYLN-INIZCTEOSA-N 0 0 455.537 -0.574 20 5 JBBDRN C[C@@H]1CN(CCO)CCN1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001653875207 1069888864 /nfs/dbraw/zinc/88/88/64/1069888864.db2.gz SEMRNYFKJFZYLN-MRXNPFEDSA-N 0 0 455.537 -0.574 20 5 JBBDRN C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCN1CCO ZINC001654241960 1069891783 /nfs/dbraw/zinc/89/17/83/1069891783.db2.gz KNRXLLSUJHZAMP-INIZCTEOSA-N 0 0 455.537 -0.574 20 5 JBBDRN C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCN1CCO ZINC001654241961 1069892027 /nfs/dbraw/zinc/89/20/27/1069892027.db2.gz KNRXLLSUJHZAMP-MRXNPFEDSA-N 0 0 455.537 -0.574 20 5 JBBDRN O=C(CN1CC(=O)N(CC2CC2)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001654303197 1069893989 /nfs/dbraw/zinc/89/39/89/1069893989.db2.gz LDSONDKTRCFRLT-UHFFFAOYSA-N 0 0 451.505 -0.061 20 5 JBBDRN CS(=O)(=O)N=S1(=O)CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001654554180 1069896501 /nfs/dbraw/zinc/89/65/01/1069896501.db2.gz HPAOKIJAQQLZDM-UHFFFAOYSA-N 0 0 459.550 -0.013 20 5 JBBDRN CN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@H]1CCC(=O)N(C)C1 ZINC001654563227 1069896252 /nfs/dbraw/zinc/89/62/52/1069896252.db2.gz DMPHZCXSNGTEOR-INIZCTEOSA-N 0 0 453.521 -0.020 20 5 JBBDRN CN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@@H]1CCC(=O)N(C)C1 ZINC001654563228 1069896857 /nfs/dbraw/zinc/89/68/57/1069896857.db2.gz DMPHZCXSNGTEOR-MRXNPFEDSA-N 0 0 453.521 -0.020 20 5 JBBDRN C[C@H]1CN(CCO)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001654716610 1069897391 /nfs/dbraw/zinc/89/73/91/1069897391.db2.gz JYHRPUYGVQSBCY-INIZCTEOSA-N 0 0 455.537 -0.574 20 5 JBBDRN C[C@@H]1CN(CCO)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001654716611 1069897772 /nfs/dbraw/zinc/89/77/72/1069897772.db2.gz JYHRPUYGVQSBCY-MRXNPFEDSA-N 0 0 455.537 -0.574 20 5 JBBDRN O=C(CN1CCO[C@@H]2COCC[C@@H]21)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001654909469 1069899403 /nfs/dbraw/zinc/89/94/03/1069899403.db2.gz LYSACLVKZKWGEL-ZWKOTPCHSA-N 0 0 454.505 -0.083 20 5 JBBDRN O=C(CN1CCO[C@@H]2COCC[C@@H]21)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001655707972 1069902849 /nfs/dbraw/zinc/90/28/49/1069902849.db2.gz FDAZHXLLBJHRSK-ZWKOTPCHSA-N 0 0 454.505 -0.083 20 5 JBBDRN O=C(CN1CCN2C(=O)OC[C@@H]2C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001657539934 1069908345 /nfs/dbraw/zinc/90/83/45/1069908345.db2.gz VRLYMJWIAGHIHU-HNNXBMFYSA-N 0 0 453.477 -0.436 20 5 JBBDRN O=C(CN1CCN2C(=O)OC[C@H]2C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001657539935 1069908205 /nfs/dbraw/zinc/90/82/05/1069908205.db2.gz VRLYMJWIAGHIHU-OAHLLOKOSA-N 0 0 453.477 -0.436 20 5 JBBDRN CS(=O)(=O)N1CCC(NC(=O)CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001657570015 1069908399 /nfs/dbraw/zinc/90/83/99/1069908399.db2.gz PFWBONHVKQGYSA-UHFFFAOYSA-N 0 0 453.521 -0.107 20 5 JBBDRN CN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCC(=O)N(C)C1 ZINC001658781812 1069913297 /nfs/dbraw/zinc/91/32/97/1069913297.db2.gz SOYKPTAJUZYGIH-INIZCTEOSA-N 0 0 453.521 -0.020 20 5 JBBDRN CN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCC(=O)N(C)C1 ZINC001658781814 1069913107 /nfs/dbraw/zinc/91/31/07/1069913107.db2.gz SOYKPTAJUZYGIH-MRXNPFEDSA-N 0 0 453.521 -0.020 20 5 JBBDRN O=C1C[C@H](S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CN1C1CC1 ZINC001665978121 1069943599 /nfs/dbraw/zinc/94/35/99/1069943599.db2.gz CKHQRFUXZIUBKM-AWEZNQCLSA-N 0 0 458.518 -0.006 20 5 JBBDRN O=C1C[C@@H](S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CN1C1CC1 ZINC001665978122 1069943587 /nfs/dbraw/zinc/94/35/87/1069943587.db2.gz CKHQRFUXZIUBKM-CQSZACIVSA-N 0 0 458.518 -0.006 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3COCCN3C)CC2)cc1[N+](=O)[O-] ZINC001675229703 1069962891 /nfs/dbraw/zinc/96/28/91/1069962891.db2.gz DTFNXNOMEPKTHP-AWEZNQCLSA-N 0 0 457.509 -0.050 20 5 JBBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3COCCN3C)CC2)cc1[N+](=O)[O-] ZINC001675229713 1069962920 /nfs/dbraw/zinc/96/29/20/1069962920.db2.gz DTFNXNOMEPKTHP-CQSZACIVSA-N 0 0 457.509 -0.050 20 5 JBBDRN