smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164900156 721510733 /nfs/dbraw/zinc/51/07/33/721510733.db2.gz OSDGJLYNXZJFLC-DZGCQCFKSA-N 0 1 407.833 2.828 20 5 HFBDMN COc1ccc([C@@H](CN(C)C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000793107838 1078079873 /nfs/dbraw/zinc/07/98/73/1078079873.db2.gz BQGFYGJZDJTAIL-QGZVFWFLSA-N 0 1 420.853 2.614 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000790826168 1078157756 /nfs/dbraw/zinc/15/77/56/1078157756.db2.gz IMQLXMSOEJAKKW-NWDGAFQWSA-N 0 1 414.484 2.661 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790879545 1078169159 /nfs/dbraw/zinc/16/91/59/1078169159.db2.gz GYMBJBAIVOPMTI-RYUDHWBXSA-N 0 1 414.484 2.519 20 5 HFBDMN COC(=O)[C@]1(c2ccccc2)CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000793599490 1078220697 /nfs/dbraw/zinc/22/06/97/1078220697.db2.gz RNVYCPMYAVLWEF-OAQYLSRUSA-N 0 1 407.430 2.628 20 5 HFBDMN Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000793619770 1078229600 /nfs/dbraw/zinc/22/96/00/1078229600.db2.gz ZIRXUAQBEJILTR-KRWDZBQOSA-N 0 1 417.466 2.828 20 5 HFBDMN CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000804680309 1078517145 /nfs/dbraw/zinc/51/71/45/1078517145.db2.gz WYBCBSZWYUMXOV-CQSZACIVSA-N 0 1 403.439 2.944 20 5 HFBDMN CN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CCN(CCC(F)(F)F)CC1 ZINC001129679417 1078643350 /nfs/dbraw/zinc/64/33/50/1078643350.db2.gz NNRBNYHXQOOFLD-UHFFFAOYSA-N 0 1 417.384 2.855 20 5 HFBDMN CN(c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)N2C ZINC000804815666 1078658222 /nfs/dbraw/zinc/65/82/22/1078658222.db2.gz XLAYKIXYGPEGJY-FOSCPWQOSA-N 0 1 407.414 2.950 20 5 HFBDMN COC(=O)c1cc([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cc1Cl ZINC000804820059 1078661524 /nfs/dbraw/zinc/66/15/24/1078661524.db2.gz YZGQSFIFPHEZDE-YHWZYXNKSA-N 0 1 424.885 2.530 20 5 HFBDMN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000805111319 1078896946 /nfs/dbraw/zinc/89/69/46/1078896946.db2.gz ULNVPXVDUHZKKG-BXUZGUMPSA-N 0 1 418.313 2.605 20 5 HFBDMN COC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)c1ccco1 ZINC000747286784 1079385639 /nfs/dbraw/zinc/38/56/39/1079385639.db2.gz YPYLCNLSVVGVKD-NSHDSACASA-N 0 1 405.226 2.616 20 5 HFBDMN C[C@H]1[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)CCN1C(=O)OC(C)(C)C ZINC000787995803 1077023012 /nfs/dbraw/zinc/02/30/12/1077023012.db2.gz OIUGRYYJCRLWDH-SMDDNHRTSA-N 0 1 416.438 2.964 20 5 HFBDMN CN(C)c1cc(F)c(C(=O)NCC2(N3CCSCC3)CCCC2)cc1[N+](=O)[O-] ZINC000791209458 1077345037 /nfs/dbraw/zinc/34/50/37/1077345037.db2.gz PCGDXCKQEXRJKX-UHFFFAOYSA-N 0 1 410.515 2.891 20 5 HFBDMN COc1ccc(C[C@@H](C)N2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001170336559 1077947575 /nfs/dbraw/zinc/94/75/75/1077947575.db2.gz ZIENAZYQJMLCAS-QFIXIFRTSA-N 0 1 410.474 2.805 20 5 HFBDMN COc1ccc(C[C@H](C)N2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001170336557 1077947610 /nfs/dbraw/zinc/94/76/10/1077947610.db2.gz ZIENAZYQJMLCAS-NYSBEXSLSA-N 0 1 410.474 2.805 20 5 HFBDMN COc1ccc(C[C@@H](C)N2CCC[C@@H](NC(=O)C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC001170355255 1077949008 /nfs/dbraw/zinc/94/90/08/1077949008.db2.gz YIXHBIGZGPFZNK-CRAIPNDOSA-N 0 1 405.495 2.542 20 5 HFBDMN CC(=O)Nc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000790381807 1078009697 /nfs/dbraw/zinc/00/96/97/1078009697.db2.gz BPNVZODHIWRNCS-UHFFFAOYSA-N 0 1 408.392 2.879 20 5 HFBDMN CCOC(=O)C1=C(Nc2cc([N+](=O)[O-])c3nncn3c2)CCN(Cc2ccccc2)C1 ZINC001170522275 1080533271 /nfs/dbraw/zinc/53/32/71/1080533271.db2.gz GILQULGEHONZQF-UHFFFAOYSA-N 0 1 422.445 2.773 20 5 HFBDMN CCOC(=O)C1CN(Cc2ccccc2)CCC1=Nc1cc([N+](=O)[O-])c2nncn2c1 ZINC001170522275 1080533278 /nfs/dbraw/zinc/53/32/78/1080533278.db2.gz GILQULGEHONZQF-UHFFFAOYSA-N 0 1 422.445 2.773 20 5 HFBDMN Cc1nc(CN2CCCC23CCN(c2c(C)c([N+](=O)[O-])cc[n+]2[O-])CC3)cs1 ZINC001164691319 719811143 /nfs/dbraw/zinc/81/11/43/719811143.db2.gz FXRSIBWVLOGIDH-UHFFFAOYSA-N 0 1 403.508 2.937 20 5 HFBDMN COc1ccc([C@H](CN(C)C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000793107836 1078079857 /nfs/dbraw/zinc/07/98/57/1078079857.db2.gz BQGFYGJZDJTAIL-KRWDZBQOSA-N 0 1 420.853 2.614 20 5 HFBDMN CCOC(=O)c1cc(COC)cc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000793349516 1078155562 /nfs/dbraw/zinc/15/55/62/1078155562.db2.gz PFYPOMDFRUYAFG-UHFFFAOYSA-N 0 1 412.395 2.858 20 5 HFBDMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000804654559 1078482008 /nfs/dbraw/zinc/48/20/08/1078482008.db2.gz SLKFTZJAQQAOBW-CQSZACIVSA-N 0 1 407.471 2.744 20 5 HFBDMN CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC001129911710 1078581927 /nfs/dbraw/zinc/58/19/27/1078581927.db2.gz QKNLHZSWMXAFQI-UHFFFAOYSA-N 0 1 422.850 2.848 20 5 HFBDMN C[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805010344 1078854873 /nfs/dbraw/zinc/85/48/73/1078854873.db2.gz BOJDVIKAKONVLF-MJVIPROJSA-N 0 1 402.373 2.582 20 5 HFBDMN COC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)c1ccco1 ZINC000747286780 1079385679 /nfs/dbraw/zinc/38/56/79/1079385679.db2.gz YPYLCNLSVVGVKD-LLVKDONJSA-N 0 1 405.226 2.616 20 5 HFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787357637 1076795392 /nfs/dbraw/zinc/79/53/92/1076795392.db2.gz OFKMNJBCIBYIBU-CQSZACIVSA-N 0 1 422.482 2.921 20 5 HFBDMN CCc1[nH]nc(C(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000787791989 1076947411 /nfs/dbraw/zinc/94/74/11/1076947411.db2.gz RJNYPYFDSKNPDX-UHFFFAOYSA-N 0 1 415.450 2.659 20 5 HFBDMN C[C@@H]1[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)CCN1C(=O)OC(C)(C)C ZINC000787995799 1077023086 /nfs/dbraw/zinc/02/30/86/1077023086.db2.gz OIUGRYYJCRLWDH-BXUZGUMPSA-N 0 1 416.438 2.964 20 5 HFBDMN Cc1c[nH]nc1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000788200339 1077078192 /nfs/dbraw/zinc/07/81/92/1077078192.db2.gz YAEQNBJIOPHWJN-UHFFFAOYSA-N 0 1 401.404 2.679 20 5 HFBDMN NC(=O)C1=NO[C@@H](CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000789557491 1077675983 /nfs/dbraw/zinc/67/59/83/1077675983.db2.gz JAODLWBNCAJZPL-CQSZACIVSA-N 0 1 404.810 2.760 20 5 HFBDMN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000772742131 1077708892 /nfs/dbraw/zinc/70/88/92/1077708892.db2.gz OUGGJTXQJVBXDO-NEPJUHHUSA-N 0 1 403.439 2.989 20 5 HFBDMN COc1ccc(C[C@@H](C)N2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001170336556 1077947659 /nfs/dbraw/zinc/94/76/59/1077947659.db2.gz ZIENAZYQJMLCAS-MFMILTCTSA-N 0 1 410.474 2.805 20 5 HFBDMN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1OC ZINC000790382247 1078010087 /nfs/dbraw/zinc/01/00/87/1078010087.db2.gz QEMXGOZXYZDAKK-UHFFFAOYSA-N 0 1 411.392 2.938 20 5 HFBDMN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc(OC)c1 ZINC000790382178 1078010173 /nfs/dbraw/zinc/01/01/73/1078010173.db2.gz NBFVROFFFKRAED-UHFFFAOYSA-N 0 1 411.392 2.938 20 5 HFBDMN O=c1[nH]cc(Br)cc1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000790403483 1078018860 /nfs/dbraw/zinc/01/88/60/1078018860.db2.gz JZUWTDUHBWOIPM-UHFFFAOYSA-N 0 1 408.617 2.912 20 5 HFBDMN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)c1F ZINC000790440436 1078032440 /nfs/dbraw/zinc/03/24/40/1078032440.db2.gz YWBADTNWMAXFPD-IBGZPJMESA-N 0 1 400.454 2.761 20 5 HFBDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC001130589005 1079568566 /nfs/dbraw/zinc/56/85/66/1079568566.db2.gz CMMODFBVQPJFFX-MXWKQRLJSA-N 0 1 417.247 2.753 20 5 HFBDMN Cc1c(NC(=O)C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)c(F)ccc1[N+](=O)[O-] ZINC000807487457 1080671435 /nfs/dbraw/zinc/67/14/35/1080671435.db2.gz XGCRANTUZZJPKR-OAHLLOKOSA-N 0 1 406.389 2.539 20 5 HFBDMN COc1cc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)ncc1[N+](=O)[O-] ZINC001164695720 719890495 /nfs/dbraw/zinc/89/04/95/719890495.db2.gz SMWLZEPTCVFWNM-UHFFFAOYSA-N 0 1 404.492 2.931 20 5 HFBDMN Cc1cc(Cl)c([N+](=O)[O-])c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164870587 721073616 /nfs/dbraw/zinc/07/36/16/721073616.db2.gz WISJBHLECJVCFO-HOTGVXAUSA-N 0 1 403.870 2.826 20 5 HFBDMN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164772629 721098613 /nfs/dbraw/zinc/09/86/13/721098613.db2.gz VJDGFNFWZCIUSA-OLZOCXBDSA-N 0 1 411.293 2.988 20 5 HFBDMN COc1nc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)ncc1[N+](=O)[O-] ZINC001164938259 721920214 /nfs/dbraw/zinc/92/02/14/721920214.db2.gz KHKMIAUQCNNIDW-UHFFFAOYSA-N 0 1 413.478 2.573 20 5 HFBDMN CCc1cc(N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164967802 722076562 /nfs/dbraw/zinc/07/65/62/722076562.db2.gz XBTNCNBSKNBLJN-BGYRXZFFSA-N 0 1 409.490 2.914 20 5 HFBDMN COCc1cc(C(=O)OC)cc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000793349938 1078155538 /nfs/dbraw/zinc/15/55/38/1078155538.db2.gz ZCIHCFFWLURUQL-UHFFFAOYSA-N 0 1 414.823 2.982 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)N2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC000790837216 1078162858 /nfs/dbraw/zinc/16/28/58/1078162858.db2.gz RZXGWIBLZIANBG-LBPRGKRZSA-N 0 1 414.484 2.519 20 5 HFBDMN O=C(NCc1ccc2cncn2c1)c1cc([N+](=O)[O-])ccc1I ZINC001129665290 1078625465 /nfs/dbraw/zinc/62/54/65/1078625465.db2.gz ABIYSUNSVYUVMA-UHFFFAOYSA-N 0 1 422.182 2.777 20 5 HFBDMN COc1cc(F)c([N+](=O)[O-])c(NCCCCN2CCN(c3ncccn3)CC2)c1 ZINC000747215883 1078643785 /nfs/dbraw/zinc/64/37/85/1078643785.db2.gz JGFXTNVAIUOYJX-UHFFFAOYSA-N 0 1 404.446 2.547 20 5 HFBDMN C[C@H]1[C@@H](N2CCCC2)CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000804852812 1078721376 /nfs/dbraw/zinc/72/13/76/1078721376.db2.gz OEGYXJKZQSTIRZ-AAEUAGOBSA-N 0 1 407.414 2.951 20 5 HFBDMN Cc1cc(S(=O)(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000788089187 1077055512 /nfs/dbraw/zinc/05/55/12/1077055512.db2.gz FHDXAZZDSHMBKJ-UHFFFAOYSA-N 0 1 418.475 2.793 20 5 HFBDMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790922058 1077232583 /nfs/dbraw/zinc/23/25/83/1077232583.db2.gz LJPOZRYTKXYGAY-UHFFFAOYSA-N 0 1 408.817 2.729 20 5 HFBDMN CN(C)c1cc(F)c(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)cc1[N+](=O)[O-] ZINC000791216886 1077333018 /nfs/dbraw/zinc/33/30/18/1077333018.db2.gz GWVGCZKMXYYOGY-UHFFFAOYSA-N 0 1 401.398 2.972 20 5 HFBDMN COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)N1CCCC1 ZINC000791298115 1077360847 /nfs/dbraw/zinc/36/08/47/1077360847.db2.gz AEWCVUCLICSKPT-GOSISDBHSA-N 0 1 402.426 2.892 20 5 HFBDMN COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)N1CCCC1 ZINC000791298117 1077360929 /nfs/dbraw/zinc/36/09/29/1077360929.db2.gz AEWCVUCLICSKPT-SFHVURJKSA-N 0 1 402.426 2.892 20 5 HFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1[nH]nc2c1CCCCC2 ZINC000789174153 1077444284 /nfs/dbraw/zinc/44/42/84/1077444284.db2.gz YARZHRNLCDEPQN-NSHDSACASA-N 0 1 402.407 2.779 20 5 HFBDMN CC(C)[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C(=O)N(C)Cc1nnc2n1CCC2 ZINC000791624662 1077491692 /nfs/dbraw/zinc/49/16/92/1077491692.db2.gz ODFOGCKZIIASFM-SFHVURJKSA-N 0 1 420.901 2.559 20 5 HFBDMN C[C@H](O)COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000792203153 1077744648 /nfs/dbraw/zinc/74/46/48/1077744648.db2.gz NSPYDAAINPBNPB-JTQLQIEISA-N 0 1 414.823 2.587 20 5 HFBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000792662786 1077963836 /nfs/dbraw/zinc/96/38/36/1077963836.db2.gz ZVRGVHYXSONDOM-UHFFFAOYSA-N 0 1 423.403 2.961 20 5 HFBDMN C[NH+]1CCC(Oc2ccc(C[N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)CC1 ZINC000790437641 1078030851 /nfs/dbraw/zinc/03/08/51/1078030851.db2.gz GZXLSEYIEOKKIT-UHFFFAOYSA-N 0 1 411.505 2.608 20 5 HFBDMN C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2I)[C@@H](C)CN1C ZINC001130589409 1079569637 /nfs/dbraw/zinc/56/96/37/1079569637.db2.gz IURYXIOEHOUBFC-AXFHLTTASA-N 0 1 417.247 2.753 20 5 HFBDMN Cc1[nH]ncc1CCCNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000806727229 1079950685 /nfs/dbraw/zinc/95/06/85/1079950685.db2.gz COIJIKFJDKGBPW-UHFFFAOYSA-N 0 1 410.272 2.574 20 5 HFBDMN COc1cc(C(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC001130733201 1079971462 /nfs/dbraw/zinc/97/14/62/1079971462.db2.gz MAVIGIHOXUYEEO-WOJBJXKFSA-N 0 1 411.458 2.719 20 5 HFBDMN O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC001130733566 1079973093 /nfs/dbraw/zinc/97/30/93/1079973093.db2.gz SZDYIMMCJMIVJI-PMACEKPBSA-N 0 1 417.412 2.989 20 5 HFBDMN O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001130733569 1079973145 /nfs/dbraw/zinc/97/31/45/1079973145.db2.gz SZDYIMMCJMIVJI-WOJBJXKFSA-N 0 1 417.412 2.989 20 5 HFBDMN Cc1cc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc1Cl ZINC001164888342 721401453 /nfs/dbraw/zinc/40/14/53/721401453.db2.gz OIWIBKNGHOCMIV-UZLBHIALSA-N 0 1 423.945 2.717 20 5 HFBDMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@@H]2CCCO[C@H]12 ZINC001164809901 721563346 /nfs/dbraw/zinc/56/33/46/721563346.db2.gz YAHCURONFUXHQQ-BLIXFSHQSA-N 0 1 408.462 2.734 20 5 HFBDMN Nc1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906487 721721304 /nfs/dbraw/zinc/72/13/04/721721304.db2.gz MIVQDWWTFCBYBS-GOSISDBHSA-N 0 1 404.421 2.705 20 5 HFBDMN O=C([O-])[C@]1(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCC[N@@H+](Cc2ccccc2)C1 ZINC001123267470 939816963 /nfs/dbraw/zinc/81/69/63/939816963.db2.gz HTFAFLWQGGIIIZ-QFIPXVFZSA-N 0 1 422.441 2.925 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC(C)(C)N2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000790829242 1078159039 /nfs/dbraw/zinc/15/90/39/1078159039.db2.gz VIPIBIKJRNRSAI-UHFFFAOYSA-N 0 1 414.484 2.663 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790879547 1078169103 /nfs/dbraw/zinc/16/91/03/1078169103.db2.gz GYMBJBAIVOPMTI-VXGBXAGGSA-N 0 1 414.484 2.519 20 5 HFBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC001170435604 1078213802 /nfs/dbraw/zinc/21/38/02/1078213802.db2.gz RDAJYTCYUIZRAV-KXBFYZLASA-N 0 1 413.478 2.552 20 5 HFBDMN CNS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 ZINC000794121913 1078374607 /nfs/dbraw/zinc/37/46/07/1078374607.db2.gz CLKALXNQOGXBEF-UHFFFAOYSA-N 0 1 420.230 2.768 20 5 HFBDMN CCC[N@H+]1CCC[C@H]1CNC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000804778193 1078603394 /nfs/dbraw/zinc/60/33/94/1078603394.db2.gz PCHLJENHKYJGCQ-ZDUSSCGKSA-N 0 1 407.858 2.744 20 5 HFBDMN C[C@@H]1[C@@H](N2CCCC2)CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000804852815 1078721360 /nfs/dbraw/zinc/72/13/60/1078721360.db2.gz OEGYXJKZQSTIRZ-YPMHNXCESA-N 0 1 407.414 2.951 20 5 HFBDMN Cc1cc(S(=O)(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)ccc1[N+](=O)[O-] ZINC000788499592 1077182984 /nfs/dbraw/zinc/18/29/84/1077182984.db2.gz UDHVXDQVWUEXIL-UHFFFAOYSA-N 0 1 418.431 2.539 20 5 HFBDMN Cc1c(CNC(=O)c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)cccc1[N+](=O)[O-] ZINC000791017621 1077272927 /nfs/dbraw/zinc/27/29/27/1077272927.db2.gz HUUTVJYOCVPANT-UHFFFAOYSA-N 0 1 415.450 2.850 20 5 HFBDMN COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)N(C)C)c1 ZINC000791196123 1077320764 /nfs/dbraw/zinc/32/07/64/1077320764.db2.gz BZDJKZPCAHHMOU-LJQANCHMSA-N 0 1 404.442 2.841 20 5 HFBDMN C[C@@H](NCCNS(=O)(=O)c1ccc(Cl)cc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788813489 1077321231 /nfs/dbraw/zinc/32/12/31/1077321231.db2.gz IBGUYEWBBFAOSE-SNVBAGLBSA-N 0 1 416.862 2.599 20 5 HFBDMN CC[NH+](CC)[C@@H](C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000789482648 1077588163 /nfs/dbraw/zinc/58/81/63/1077588163.db2.gz LYARJZVTCUYSNO-GOSISDBHSA-N 0 1 405.476 2.791 20 5 HFBDMN O=C1OCc2ccc(S(=O)(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)cc21 ZINC000790085983 1077944919 /nfs/dbraw/zinc/94/49/19/1077944919.db2.gz WJDMDWZMWRDULW-UHFFFAOYSA-N 0 1 413.205 2.829 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CC3)c(C)c1[N+](=O)[O-] ZINC000790395305 1078011237 /nfs/dbraw/zinc/01/12/37/1078011237.db2.gz UCUQLOMWAVFWNO-UHFFFAOYSA-N 0 1 420.403 2.805 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)c(C)c1[N+](=O)[O-] ZINC000790385710 1078011370 /nfs/dbraw/zinc/01/13/70/1078011370.db2.gz WCJPSPLEGDXALZ-UHFFFAOYSA-N 0 1 418.391 2.501 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc([S@](C)=O)c2)c(C)c1[N+](=O)[O-] ZINC000790391063 1078013054 /nfs/dbraw/zinc/01/30/54/1078013054.db2.gz RJPYWNSQGNGGGM-SANMLTNESA-N 0 1 413.433 2.658 20 5 HFBDMN C[C@@H]1[C@H](C)N(C(=O)c2cc(I)cc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC001130589002 1079568581 /nfs/dbraw/zinc/56/85/81/1079568581.db2.gz CMMODFBVQPJFFX-AXFHLTTASA-N 0 1 417.247 2.753 20 5 HFBDMN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000807544346 1080759229 /nfs/dbraw/zinc/75/92/29/1080759229.db2.gz QARWMCHJRFGQAE-PBHICJAKSA-N 0 1 414.437 2.760 20 5 HFBDMN O=[N+]([O-])c1ccc(-c2ccc(N3CCc4ncc(CN5CCCC5)n4CC3)nn2)cc1 ZINC001164736349 720581981 /nfs/dbraw/zinc/58/19/81/720581981.db2.gz JUVQECCKMUKLRL-UHFFFAOYSA-N 0 1 419.489 2.907 20 5 HFBDMN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001263627407 939828243 /nfs/dbraw/zinc/82/82/43/939828243.db2.gz JLYIZPBETSKSIE-FQTAANOTSA-N 0 1 409.442 2.844 20 5 HFBDMN CCc1cc(CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n[nH]1 ZINC000790730927 1078118024 /nfs/dbraw/zinc/11/80/24/1078118024.db2.gz FTUTWFOOYXBKPY-UHFFFAOYSA-N 0 1 408.256 2.911 20 5 HFBDMN Cc1cccc2nc(CNS(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)[nH]c21 ZINC000790866736 1078164679 /nfs/dbraw/zinc/16/46/79/1078164679.db2.gz LUCGYQHHDXJCHF-UHFFFAOYSA-N 0 1 419.419 2.783 20 5 HFBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000794038862 1078363798 /nfs/dbraw/zinc/36/37/98/1078363798.db2.gz QLLWEZCVOFFPEZ-OAHLLOKOSA-N 0 1 415.450 2.659 20 5 HFBDMN CCc1[nH]nc(C(=O)N2CCCC[C@H]2COC(=O)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000804669684 1078502171 /nfs/dbraw/zinc/50/21/71/1078502171.db2.gz VWRVTOUKIWHHQM-KBPBESRZSA-N 0 1 407.471 2.744 20 5 HFBDMN CCN1CCN(CC(C)(C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC001129808475 1078506129 /nfs/dbraw/zinc/50/61/29/1078506129.db2.gz VYZDPXGJGOVXRP-UHFFFAOYSA-N 0 1 402.417 2.760 20 5 HFBDMN CC(C)(C)OC(=O)N(CCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])OCc1ccccc1 ZINC001129907938 1078580055 /nfs/dbraw/zinc/58/00/55/1078580055.db2.gz LWKDBBMYLCDQQR-IAGOWNOFSA-N 0 1 407.467 2.917 20 5 HFBDMN CCCNC(=O)OC[C@H]1CCCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000805774965 1079248392 /nfs/dbraw/zinc/24/83/92/1079248392.db2.gz WQGWCMJKLJWIRJ-MRXNPFEDSA-N 0 1 420.466 2.884 20 5 HFBDMN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000805765672 1079266051 /nfs/dbraw/zinc/26/60/51/1079266051.db2.gz XLTBXQCTKYAZDB-INIZCTEOSA-N 0 1 406.483 2.963 20 5 HFBDMN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 ZINC000788492562 1077180030 /nfs/dbraw/zinc/18/00/30/1077180030.db2.gz FEJBOOUDESHQQE-UHFFFAOYSA-N 0 1 411.411 2.729 20 5 HFBDMN Cc1cc(C)c(N2CC[C@@H](NS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000788953456 1077360846 /nfs/dbraw/zinc/36/08/46/1077360846.db2.gz TXAOJKCTIALACU-OAHLLOKOSA-N 0 1 421.450 2.743 20 5 HFBDMN COC(=O)COc1ccc(CN[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1[N+](=O)[O-] ZINC000788960504 1077363659 /nfs/dbraw/zinc/36/36/59/1077363659.db2.gz OXUVFMNUQUIUCB-CYBMUJFWSA-N 0 1 413.430 2.516 20 5 HFBDMN CCOc1ccc(NC(=O)COC(=O)c2[nH]nc3c2CCCCC3)c([N+](=O)[O-])c1 ZINC000789164376 1077439923 /nfs/dbraw/zinc/43/99/23/1077439923.db2.gz BMFJGPFUAFMYSX-UHFFFAOYSA-N 0 1 402.407 2.781 20 5 HFBDMN CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(c2cnccn2)CC1 ZINC000789370933 1077542222 /nfs/dbraw/zinc/54/22/22/1077542222.db2.gz ITVWTUFSIOLCND-UHFFFAOYSA-N 0 1 404.858 2.578 20 5 HFBDMN COC(=O)COc1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000789513115 1077604733 /nfs/dbraw/zinc/60/47/33/1077604733.db2.gz GPNSXZUJZCTJNQ-DOTOQJQBSA-N 0 1 404.419 2.828 20 5 HFBDMN COC(=O)COc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000789513116 1077604802 /nfs/dbraw/zinc/60/48/02/1077604802.db2.gz GPNSXZUJZCTJNQ-NVXWUHKLSA-N 0 1 404.419 2.828 20 5 HFBDMN O=[N+]([O-])c1ccc([C@H](O)CN(CCO)Cc2ccc(Br)s2)cc1 ZINC000792485352 1077878430 /nfs/dbraw/zinc/87/84/30/1077878430.db2.gz XVRCXVHVFIIPGM-CQSZACIVSA-N 0 1 401.282 2.947 20 5 HFBDMN CCCCc1nc(C(=O)OCC)c(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000792556839 1077902455 /nfs/dbraw/zinc/90/24/55/1077902455.db2.gz ZASAKDVNWCVPAD-UHFFFAOYSA-N 0 1 414.422 2.826 20 5 HFBDMN COc1ccc(C[C@@H](C)N2CCCn3cnc(Cn4cccn4)c3C2)c([N+](=O)[O-])c1 ZINC001170342033 1077953685 /nfs/dbraw/zinc/95/36/85/1077953685.db2.gz LNQMBUVPJADONB-MRXNPFEDSA-N 0 1 410.478 2.882 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2-n2ccnn2)c(C)c1[N+](=O)[O-] ZINC000790394385 1078014535 /nfs/dbraw/zinc/01/45/35/1078014535.db2.gz SIPWPZRYUMMJJE-UHFFFAOYSA-N 0 1 418.391 2.501 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cnn(C)c2C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000790401809 1078026324 /nfs/dbraw/zinc/02/63/24/1078026324.db2.gz BIIWELOAJHSWET-UHFFFAOYSA-N 0 1 423.329 2.673 20 5 HFBDMN COc1cc(C(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001130733200 1079971394 /nfs/dbraw/zinc/97/13/94/1079971394.db2.gz MAVIGIHOXUYEEO-VQTJNVASSA-N 0 1 411.458 2.719 20 5 HFBDMN CNS(=O)(=O)c1cc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)ccc1O ZINC000807384660 1080580575 /nfs/dbraw/zinc/58/05/75/1080580575.db2.gz PLQNRFMYTBFNOD-UHFFFAOYSA-N 0 1 423.450 2.547 20 5 HFBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(O)c(S(=O)(=O)NC)c1 ZINC000807386067 1080581598 /nfs/dbraw/zinc/58/15/98/1080581598.db2.gz ZKMRFTFMOOUSPA-UHFFFAOYSA-N 0 1 411.461 2.573 20 5 HFBDMN COc1ccc(-c2ccc(C[NH2+][C@H](Cn3cc(C)cn3)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426724995 1126083161 /nfs/dbraw/zinc/08/31/61/1126083161.db2.gz ADYCADSQIVYTMU-MRXNPFEDSA-N 0 1 400.391 2.611 20 5 HFBDMN CCOC(=O)c1ccnc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)c1[N+](=O)[O-] ZINC001164856537 721014933 /nfs/dbraw/zinc/01/49/33/721014933.db2.gz AYMTZHUSECIQCW-CQSZACIVSA-N 0 1 416.482 2.784 20 5 HFBDMN Cc1cc([N+](=O)[O-])c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1Cl ZINC001164866837 721072820 /nfs/dbraw/zinc/07/28/20/721072820.db2.gz GFZPKOVLPWBYJQ-JKSUJKDBSA-N 0 1 403.870 2.826 20 5 HFBDMN Cc1nc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164900162 721511079 /nfs/dbraw/zinc/51/10/79/721511079.db2.gz OSDGJLYNXZJFLC-HIFRSBDPSA-N 0 1 407.833 2.828 20 5 HFBDMN Nc1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164906800 721711545 /nfs/dbraw/zinc/71/15/45/721711545.db2.gz OKVMWTPUHVFQIA-GOSISDBHSA-N 0 1 404.421 2.705 20 5 HFBDMN Nc1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906489 721721719 /nfs/dbraw/zinc/72/17/19/721721719.db2.gz MIVQDWWTFCBYBS-SFHVURJKSA-N 0 1 404.421 2.705 20 5 HFBDMN COc1cccc(OC)c1CN1CCC(N(C)c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001165023088 721841519 /nfs/dbraw/zinc/84/15/19/721841519.db2.gz XCIRIEINSZEVQF-UHFFFAOYSA-N 0 1 401.467 2.690 20 5 HFBDMN O=[N+]([O-])c1cnc(Cl)nc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164961926 722052545 /nfs/dbraw/zinc/05/25/45/722052545.db2.gz YXSIAWVNWXHGFL-UHFFFAOYSA-N 0 1 418.885 2.552 20 5 HFBDMN COc1nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)ccc1[N+](=O)[O-] ZINC001164959514 722053987 /nfs/dbraw/zinc/05/39/87/722053987.db2.gz LRKBFWSBEAHMGI-UHFFFAOYSA-N 0 1 413.478 2.512 20 5 HFBDMN O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978381 722101329 /nfs/dbraw/zinc/10/13/29/722101329.db2.gz GTGYGWPLYDCWDK-MAUKXSAKSA-N 0 1 403.870 2.766 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000790633722 1078070022 /nfs/dbraw/zinc/07/00/22/1078070022.db2.gz FTUBCIUDMJQCCN-UHFFFAOYSA-N 0 1 408.436 2.982 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3c(c2)ncn3C)c(C)c1[N+](=O)[O-] ZINC000790638941 1078072436 /nfs/dbraw/zinc/07/24/36/1078072436.db2.gz FBPVUZZLDDAZMT-UHFFFAOYSA-N 0 1 405.392 2.807 20 5 HFBDMN COC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000790857411 1078152184 /nfs/dbraw/zinc/15/21/84/1078152184.db2.gz RGCYLISPVQPURT-GFCCVEGCSA-N 0 1 413.408 2.687 20 5 HFBDMN CN(C)C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000794051433 1078366167 /nfs/dbraw/zinc/36/61/67/1078366167.db2.gz PUXHZUNXTDLQMW-OAHLLOKOSA-N 0 1 420.447 2.575 20 5 HFBDMN CN(CCCN(C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)Cc1ccco1 ZINC000804868752 1078692328 /nfs/dbraw/zinc/69/23/28/1078692328.db2.gz CZKFVOQFSMWAHS-IBGZPJMESA-N 0 1 400.435 2.661 20 5 HFBDMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000788913964 1077352086 /nfs/dbraw/zinc/35/20/86/1077352086.db2.gz SCDXEQHPZQYFHN-NEPJUHHUSA-N 0 1 420.329 2.756 20 5 HFBDMN C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000788913964 1077352091 /nfs/dbraw/zinc/35/20/91/1077352091.db2.gz SCDXEQHPZQYFHN-NEPJUHHUSA-N 0 1 420.329 2.756 20 5 HFBDMN NC(=O)Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 ZINC000791432445 1077406153 /nfs/dbraw/zinc/40/61/53/1077406153.db2.gz NNKALAHKWQNYKH-UHFFFAOYSA-N 0 1 404.231 2.730 20 5 HFBDMN CC(C)[C@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000791622003 1077490538 /nfs/dbraw/zinc/49/05/38/1077490538.db2.gz CBWVEKUWGJVVBD-SFHVURJKSA-N 0 1 420.901 2.559 20 5 HFBDMN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789524537 1077621004 /nfs/dbraw/zinc/62/10/04/1077621004.db2.gz GGYDCEGRFDSXCM-LJQANCHMSA-N 0 1 414.437 2.795 20 5 HFBDMN COc1ccc(C[C@H](C)N2CC[C@@H](Oc3nc(C)cc(OC)n3)C2)c([N+](=O)[O-])c1 ZINC001170355628 1077949202 /nfs/dbraw/zinc/94/92/02/1077949202.db2.gz MXIRVWBXPVRFAK-WMLDXEAASA-N 0 1 402.451 2.795 20 5 HFBDMN COC(=O)c1cnc(NC2CCN(Cc3cccc(OC)c3)CC2)c([N+](=O)[O-])c1 ZINC000790101571 1077949338 /nfs/dbraw/zinc/94/93/38/1077949338.db2.gz PNNRYFWXFCJLFN-UHFFFAOYSA-N 0 1 400.435 2.862 20 5 HFBDMN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000746883125 1077956550 /nfs/dbraw/zinc/95/65/50/1077956550.db2.gz PIZFSIDTFJMCGH-LLVKDONJSA-N 0 1 404.427 2.821 20 5 HFBDMN Cc1cc2c(cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)OCO2 ZINC000790403792 1078018667 /nfs/dbraw/zinc/01/86/67/1078018667.db2.gz JMISFDRLBATKIN-UHFFFAOYSA-N 0 1 409.376 2.958 20 5 HFBDMN COc1cc(C(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC001130733199 1079971442 /nfs/dbraw/zinc/97/14/42/1079971442.db2.gz MAVIGIHOXUYEEO-UXHICEINSA-N 0 1 411.458 2.719 20 5 HFBDMN O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164734120 720557545 /nfs/dbraw/zinc/55/75/45/720557545.db2.gz VLJKVGWZACQOMS-UHFFFAOYSA-N 0 1 412.281 2.547 20 5 HFBDMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@@H]2CCCO[C@@H]12 ZINC001164809903 721563689 /nfs/dbraw/zinc/56/36/89/721563689.db2.gz YAHCURONFUXHQQ-HGHGUNKESA-N 0 1 408.462 2.734 20 5 HFBDMN COc1cnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c([N+](=O)[O-])c1 ZINC001164963868 722055134 /nfs/dbraw/zinc/05/51/34/722055134.db2.gz OXXZZWXVKWILMF-UHFFFAOYSA-N 0 1 413.478 2.512 20 5 HFBDMN O=C(CCc1cnc[nH]1)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000793114986 1078083403 /nfs/dbraw/zinc/08/34/03/1078083403.db2.gz BSJQQQILXZUEED-QGZVFWFLSA-N 0 1 400.435 2.879 20 5 HFBDMN COC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000790857414 1078152199 /nfs/dbraw/zinc/15/21/99/1078152199.db2.gz RGCYLISPVQPURT-LBPRGKRZSA-N 0 1 413.408 2.687 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)N2CCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000790826170 1078158089 /nfs/dbraw/zinc/15/80/89/1078158089.db2.gz IMQLXMSOEJAKKW-VXGBXAGGSA-N 0 1 414.484 2.661 20 5 HFBDMN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000793872526 1078329208 /nfs/dbraw/zinc/32/92/08/1078329208.db2.gz CMAWQXZVWMXGAS-INIZCTEOSA-N 0 1 410.390 2.654 20 5 HFBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1C ZINC000794026898 1078369020 /nfs/dbraw/zinc/36/90/20/1078369020.db2.gz PCZILIGDKQBLEL-UHFFFAOYSA-N 0 1 412.395 2.776 20 5 HFBDMN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000805111531 1078896491 /nfs/dbraw/zinc/89/64/91/1078896491.db2.gz XWWYERBBWKRYFF-AAEUAGOBSA-N 0 1 418.313 2.605 20 5 HFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787356006 1076794789 /nfs/dbraw/zinc/79/47/89/1076794789.db2.gz MKAWITYIKCFRSY-CQSZACIVSA-N 0 1 422.482 2.921 20 5 HFBDMN COc1cc(OC)cc(N2CC[C@H](N[C@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2=O)c1 ZINC000788665134 1077259545 /nfs/dbraw/zinc/25/95/45/1077259545.db2.gz MVBKNGSDUHLEPX-XIKOKIGWSA-N 0 1 400.435 2.650 20 5 HFBDMN CCOC(=O)[C@@H]1[C@H](NCc2cccc([N+](=O)[O-])c2C)CCN1C(=O)OC(C)(C)C ZINC000788778645 1077299060 /nfs/dbraw/zinc/29/90/60/1077299060.db2.gz TXAQXZIXIRBSRG-WBVHZDCISA-N 0 1 407.467 2.934 20 5 HFBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1cc(F)ccc1N1CCN(C)CC1 ZINC000791342560 1077380142 /nfs/dbraw/zinc/38/01/42/1077380142.db2.gz HWPGQOJOGGNZBX-LBPRGKRZSA-N 0 1 419.432 2.698 20 5 HFBDMN COC(=O)COc1ccc(CN(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000789513141 1077604879 /nfs/dbraw/zinc/60/48/79/1077604879.db2.gz HMEPQISPMOYTIR-OAHLLOKOSA-N 0 1 423.466 2.588 20 5 HFBDMN C[C@@H](O)COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000792203154 1077744670 /nfs/dbraw/zinc/74/46/70/1077744670.db2.gz NSPYDAAINPBNPB-SNVBAGLBSA-N 0 1 414.823 2.587 20 5 HFBDMN CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)C1 ZINC000789902760 1077856312 /nfs/dbraw/zinc/85/63/12/1077856312.db2.gz ILROVRVJYHWYFD-ZDUSSCGKSA-N 0 1 414.422 2.575 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(N3CCC3=O)c2)c(C)c1[N+](=O)[O-] ZINC000790350488 1078001889 /nfs/dbraw/zinc/00/18/89/1078001889.db2.gz HFMAHTQDCKGDSG-UHFFFAOYSA-N 0 1 420.403 2.657 20 5 HFBDMN CC(=O)NCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 ZINC000790391327 1078013390 /nfs/dbraw/zinc/01/33/90/1078013390.db2.gz VXYCJCVSEMMXKX-UHFFFAOYSA-N 0 1 422.419 2.557 20 5 HFBDMN C[NH+]1CCC(Oc2ccc(C[N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CC1 ZINC000790439884 1078031790 /nfs/dbraw/zinc/03/17/90/1078031790.db2.gz UMFLBPVKCCTCQQ-UHFFFAOYSA-N 0 1 423.466 2.685 20 5 HFBDMN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806786628 1080008890 /nfs/dbraw/zinc/00/88/90/1080008890.db2.gz QUEIIEUYJAWBPA-NSHDSACASA-N 0 1 416.438 2.821 20 5 HFBDMN COc1ccc(C[C@](C)(CO)NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC001176597706 1126150374 /nfs/dbraw/zinc/15/03/74/1126150374.db2.gz IDTVMNZDSZUZPO-LJQANCHMSA-N 0 1 405.407 2.604 20 5 HFBDMN CCOC(=O)c1ccnc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c1[N+](=O)[O-] ZINC001164856534 721015326 /nfs/dbraw/zinc/01/53/26/721015326.db2.gz AYMTZHUSECIQCW-AWEZNQCLSA-N 0 1 416.482 2.784 20 5 HFBDMN Cc1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164887699 721400422 /nfs/dbraw/zinc/40/04/22/721400422.db2.gz MLRMWIDGCQIVNV-OXJNMPFZSA-N 0 1 423.945 2.717 20 5 HFBDMN Cc1cc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc1Cl ZINC001164888341 721401298 /nfs/dbraw/zinc/40/12/98/721401298.db2.gz OIWIBKNGHOCMIV-OXQOHEQNSA-N 0 1 423.945 2.717 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccnn2-c2cc[nH+]cc2)c(C)c1[N+](=O)[O-] ZINC000790639031 1078072720 /nfs/dbraw/zinc/07/27/20/1078072720.db2.gz GGJGKXDTDPNLTN-UHFFFAOYSA-N 0 1 418.391 2.501 20 5 HFBDMN COC(=O)Nc1ccc(S(=O)(=O)Nc2cc3c[nH]nc3cc2C)cc1[N+](=O)[O-] ZINC000790647813 1078093323 /nfs/dbraw/zinc/09/33/23/1078093323.db2.gz WMUFRRMYPJRKKV-UHFFFAOYSA-N 0 1 405.392 2.759 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)N2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC000790837215 1078162895 /nfs/dbraw/zinc/16/28/95/1078162895.db2.gz RZXGWIBLZIANBG-GFCCVEGCSA-N 0 1 414.484 2.519 20 5 HFBDMN Cc1cc(C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)CC2)n[nH]1 ZINC000790870508 1078166369 /nfs/dbraw/zinc/16/63/69/1078166369.db2.gz PTGIPWDKAFRVGZ-UHFFFAOYSA-N 0 1 423.451 2.720 20 5 HFBDMN COC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3c2CN(C)C3)cc1[N+](=O)[O-] ZINC000794043271 1078364751 /nfs/dbraw/zinc/36/47/51/1078364751.db2.gz UEKHVNKPOKFJNN-UHFFFAOYSA-N 0 1 406.420 2.519 20 5 HFBDMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000804669686 1078502256 /nfs/dbraw/zinc/50/22/56/1078502256.db2.gz VWRVTOUKIWHHQM-UONOGXRCSA-N 0 1 407.471 2.744 20 5 HFBDMN COC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(C)o1 ZINC000747284010 1079355615 /nfs/dbraw/zinc/35/56/15/1079355615.db2.gz MFIIMQSKTLXTHA-LBPRGKRZSA-N 0 1 419.253 2.925 20 5 HFBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2cc([C@H]3CCCO3)nn2C)cc1[N+](=O)[O-] ZINC000788554015 1077198966 /nfs/dbraw/zinc/19/89/66/1077198966.db2.gz AZNXPKTWOMZZCG-CYBMUJFWSA-N 0 1 400.844 2.942 20 5 HFBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000791270959 1077354214 /nfs/dbraw/zinc/35/42/14/1077354214.db2.gz LSPYGAQWIBPQDK-OAHLLOKOSA-N 0 1 400.483 2.934 20 5 HFBDMN CN(CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[C@H]1CCSC1 ZINC000791243764 1077356901 /nfs/dbraw/zinc/35/69/01/1077356901.db2.gz DUKDCCUGPUTJFO-NSHDSACASA-N 0 1 414.325 2.679 20 5 HFBDMN COC(=O)COc1ccc(CNCc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000788958845 1077363465 /nfs/dbraw/zinc/36/34/65/1077363465.db2.gz MWBWCQOWSSLIGL-UHFFFAOYSA-N 0 1 413.430 2.563 20 5 HFBDMN CC(C)[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C(=O)N(C)Cc1nnc2n1CCC2 ZINC000791624660 1077491806 /nfs/dbraw/zinc/49/18/06/1077491806.db2.gz ODFOGCKZIIASFM-GOSISDBHSA-N 0 1 420.901 2.559 20 5 HFBDMN Cc1c(NC(=O)CCN(C)[C@@H]2CCN(Cc3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000789517701 1077612517 /nfs/dbraw/zinc/61/25/17/1077612517.db2.gz NSBLJVNMEAKQRP-HXUWFJFHSA-N 0 1 410.474 2.965 20 5 HFBDMN COc1ccc(C[C@@H](C)N(Cc2noc3c2CNCC3)c2ncccn2)c([N+](=O)[O-])c1 ZINC001170334785 1077946740 /nfs/dbraw/zinc/94/67/40/1077946740.db2.gz INSIFQKOOSCVHV-CQSZACIVSA-N 0 1 424.461 2.665 20 5 HFBDMN COC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C)c([N+](=O)[O-])c1 ZINC000792661503 1077963424 /nfs/dbraw/zinc/96/34/24/1077963424.db2.gz NIWLXZDHORSUGV-UHFFFAOYSA-N 0 1 409.376 2.707 20 5 HFBDMN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(OC)c1 ZINC000790381799 1078009628 /nfs/dbraw/zinc/00/96/28/1078009628.db2.gz BHCURJOZDVFZPN-UHFFFAOYSA-N 0 1 411.392 2.938 20 5 HFBDMN CC(C)(C)c1ccc(NC(=O)C(=O)N2CCN(C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000792963261 1078036842 /nfs/dbraw/zinc/03/68/42/1078036842.db2.gz PQAJMVYCWGXNQB-UHFFFAOYSA-N 0 1 402.495 2.918 20 5 HFBDMN CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)c1nn[nH]n1 ZINC001130969328 1080683057 /nfs/dbraw/zinc/68/30/57/1080683057.db2.gz KANKOAIYYZFFHG-UHFFFAOYSA-N 0 1 421.461 2.844 20 5 HFBDMN Cc1cc([N+](=O)[O-])c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1Cl ZINC001164866835 721072507 /nfs/dbraw/zinc/07/25/07/721072507.db2.gz GFZPKOVLPWBYJQ-HOTGVXAUSA-N 0 1 403.870 2.826 20 5 HFBDMN CN1CCN(Cc2cn3c(n2)CN(c2ccc4ccc5cccnc5c4n2)CC3)CC1 ZINC001164794996 721510859 /nfs/dbraw/zinc/51/08/59/721510859.db2.gz ZJULSRMZKHPLPI-UHFFFAOYSA-N 0 1 413.529 2.747 20 5 HFBDMN O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980614 722105296 /nfs/dbraw/zinc/10/52/96/722105296.db2.gz JRHBYUBGSOIGGS-MAUKXSAKSA-N 0 1 403.870 2.766 20 5 HFBDMN O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cnc2c1 ZINC001164984294 722105525 /nfs/dbraw/zinc/10/55/25/722105525.db2.gz SCZREBIOCJGIAW-DYESRHJHSA-N 0 1 420.473 2.660 20 5 HFBDMN COC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccco1 ZINC000747286621 1079399664 /nfs/dbraw/zinc/39/96/64/1079399664.db2.gz WNGNUPMQZQSFCQ-LLVKDONJSA-N 0 1 405.226 2.616 20 5 HFBDMN Cc1nc(Cl)ccc1NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 ZINC000788495766 1077181857 /nfs/dbraw/zinc/18/18/57/1077181857.db2.gz XTSYKJXWYCGGMO-UHFFFAOYSA-N 0 1 412.811 2.709 20 5 HFBDMN C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000788913965 1077352145 /nfs/dbraw/zinc/35/21/45/1077352145.db2.gz SCDXEQHPZQYFHN-NWDGAFQWSA-N 0 1 420.329 2.756 20 5 HFBDMN C[C@H](CN1CCC[C@H](C)C1)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000788913965 1077352152 /nfs/dbraw/zinc/35/21/52/1077352152.db2.gz SCDXEQHPZQYFHN-NWDGAFQWSA-N 0 1 420.329 2.756 20 5 HFBDMN CC(C)[C@@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000791622000 1077490515 /nfs/dbraw/zinc/49/05/15/1077490515.db2.gz CBWVEKUWGJVVBD-GOSISDBHSA-N 0 1 420.901 2.559 20 5 HFBDMN COC(=O)COc1ccc(CN2CCC[C@H]2C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000789513117 1077604920 /nfs/dbraw/zinc/60/49/20/1077604920.db2.gz GPNSXZUJZCTJNQ-RDJZCZTQSA-N 0 1 404.419 2.828 20 5 HFBDMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000789964949 1077873652 /nfs/dbraw/zinc/87/36/52/1077873652.db2.gz RQLWWQXCPFNONC-HNNXBMFYSA-N 0 1 417.384 2.668 20 5 HFBDMN CCOc1cc(CN2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001170281076 1077936861 /nfs/dbraw/zinc/93/68/61/1077936861.db2.gz URNRFWQCOHJHOI-ZIAGYGMSSA-N 0 1 401.385 2.836 20 5 HFBDMN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000807544348 1080759684 /nfs/dbraw/zinc/75/96/84/1080759684.db2.gz QARWMCHJRFGQAE-WMLDXEAASA-N 0 1 414.437 2.760 20 5 HFBDMN COc1ccc(-c2ccc(C[NH2+][C@@H](Cn3cc(C)cn3)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426724994 1126083147 /nfs/dbraw/zinc/08/31/47/1126083147.db2.gz ADYCADSQIVYTMU-INIZCTEOSA-N 0 1 400.391 2.611 20 5 HFBDMN COC(=O)[C@]1(c2ccccc2)CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000793599405 1078220648 /nfs/dbraw/zinc/22/06/48/1078220648.db2.gz PXFJQYCWACMBFQ-OAQYLSRUSA-N 0 1 407.430 2.628 20 5 HFBDMN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000805111534 1078896430 /nfs/dbraw/zinc/89/64/30/1078896430.db2.gz XWWYERBBWKRYFF-WCQYABFASA-N 0 1 418.313 2.605 20 5 HFBDMN CC(C)OCC[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000788065785 1077047924 /nfs/dbraw/zinc/04/79/24/1077047924.db2.gz FGAHWRFVUXBNDP-HNNXBMFYSA-N 0 1 405.417 2.912 20 5 HFBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1 ZINC000788498694 1077182663 /nfs/dbraw/zinc/18/26/63/1077182663.db2.gz NMMDQQZBJCWAOZ-UHFFFAOYSA-N 0 1 418.431 2.539 20 5 HFBDMN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)N1CCc2ccccc2C1 ZINC000791214325 1077346718 /nfs/dbraw/zinc/34/67/18/1077346718.db2.gz GOPLVYHFXOFCMM-AWEZNQCLSA-N 0 1 400.454 2.977 20 5 HFBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000789486845 1077590532 /nfs/dbraw/zinc/59/05/32/1077590532.db2.gz PWCINTGJWLKXNY-SFHVURJKSA-N 0 1 417.487 2.763 20 5 HFBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000789486845 1077590539 /nfs/dbraw/zinc/59/05/39/1077590539.db2.gz PWCINTGJWLKXNY-SFHVURJKSA-N 0 1 417.487 2.763 20 5 HFBDMN COC(=O)COc1ccc(CN2CCC(c3nccc(C)n3)CC2)cc1[N+](=O)[O-] ZINC000789532974 1077627626 /nfs/dbraw/zinc/62/76/26/1077627626.db2.gz VZCNYNNRBIQDIP-UHFFFAOYSA-N 0 1 400.435 2.625 20 5 HFBDMN COc1cnc(OC2CCN([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])CC2)nc1 ZINC001170354500 1077948783 /nfs/dbraw/zinc/94/87/83/1077948783.db2.gz MIALNNAEVZTUEK-AWEZNQCLSA-N 0 1 402.451 2.876 20 5 HFBDMN COc1ccc(C[C@@H](C)N2C[C@@H](OCc3cccnc3)[C@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC001170340495 1077952853 /nfs/dbraw/zinc/95/28/53/1077952853.db2.gz MEHGCJSNARRQAS-GZIQRIHMSA-N 0 1 413.474 2.845 20 5 HFBDMN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000746883126 1077956599 /nfs/dbraw/zinc/95/65/99/1077956599.db2.gz PIZFSIDTFJMCGH-NSHDSACASA-N 0 1 404.427 2.821 20 5 HFBDMN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC(CCN2CCOCC2)CC1 ZINC000790264426 1077990171 /nfs/dbraw/zinc/99/01/71/1077990171.db2.gz FGFVIHGXJQSUAA-UHFFFAOYSA-N 0 1 411.886 2.974 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)c(C)c1[N+](=O)[O-] ZINC000790385675 1078011453 /nfs/dbraw/zinc/01/14/53/1078011453.db2.gz VIXZXSDEQAPVQN-UHFFFAOYSA-N 0 1 420.403 2.805 20 5 HFBDMN COC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c(N(C)C)c1 ZINC000790409904 1078020307 /nfs/dbraw/zinc/02/03/07/1078020307.db2.gz QBFCRPVCSORUCG-UHFFFAOYSA-N 0 1 411.411 2.696 20 5 HFBDMN Cc1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164887700 721400475 /nfs/dbraw/zinc/40/04/75/721400475.db2.gz MLRMWIDGCQIVNV-OXQOHEQNSA-N 0 1 423.945 2.717 20 5 HFBDMN Cc1nc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164900164 721510669 /nfs/dbraw/zinc/51/06/69/721510669.db2.gz OSDGJLYNXZJFLC-UKRRQHHQSA-N 0 1 407.833 2.828 20 5 HFBDMN Cc1nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164912649 721732949 /nfs/dbraw/zinc/73/29/49/721732949.db2.gz PDAOUSQYHPKROM-SFHVURJKSA-N 0 1 404.421 2.826 20 5 HFBDMN O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1cccc(-c2nnc[nH]2)c1 ZINC000793137733 1078088206 /nfs/dbraw/zinc/08/82/06/1078088206.db2.gz OMALQJWKMIHYCX-UHFFFAOYSA-N 0 1 408.418 2.848 20 5 HFBDMN O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2nnc[nH]2)cc1 ZINC000793148233 1078090628 /nfs/dbraw/zinc/09/06/28/1078090628.db2.gz UAOLNVCGALULBV-INIZCTEOSA-N 0 1 421.413 2.842 20 5 HFBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC001170435602 1078213843 /nfs/dbraw/zinc/21/38/43/1078213843.db2.gz RDAJYTCYUIZRAV-HNAYVOBHSA-N 0 1 413.478 2.552 20 5 HFBDMN COC(=O)[C@@]1(c2ccccc2)CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000793599404 1078220678 /nfs/dbraw/zinc/22/06/78/1078220678.db2.gz PXFJQYCWACMBFQ-NRFANRHFSA-N 0 1 407.430 2.628 20 5 HFBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000805121849 1078920897 /nfs/dbraw/zinc/92/08/97/1078920897.db2.gz JJCKPNFZCPXFJS-ZDUSSCGKSA-N 0 1 408.329 2.765 20 5 HFBDMN C[C@@H]1C[C@@H](c2cccnc2)N(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000805751009 1079230733 /nfs/dbraw/zinc/23/07/33/1079230733.db2.gz XLPXHVYAJVVWIP-UTKZUKDTSA-N 0 1 409.490 2.722 20 5 HFBDMN COc1ccc(OCC[N@H+]2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000805789243 1079255937 /nfs/dbraw/zinc/25/59/37/1079255937.db2.gz ZDRKPXQKAUQKMM-MKBNYLNASA-N 0 1 419.400 2.760 20 5 HFBDMN CCOC(=O)[C@H]1[C@@H](NCc2cccc([N+](=O)[O-])c2C)CCN1C(=O)OC(C)(C)C ZINC000788778636 1077298982 /nfs/dbraw/zinc/29/89/82/1077298982.db2.gz TXAQXZIXIRBSRG-DOTOQJQBSA-N 0 1 407.467 2.934 20 5 HFBDMN C[C@@H](CN1CCCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000788921005 1077336424 /nfs/dbraw/zinc/33/64/24/1077336424.db2.gz UWVOJZQRILACMQ-NSHDSACASA-N 0 1 406.302 2.510 20 5 HFBDMN NC(=O)COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 ZINC000791432591 1077406160 /nfs/dbraw/zinc/40/61/60/1077406160.db2.gz RUONTUFALRELTJ-UHFFFAOYSA-N 0 1 420.230 2.567 20 5 HFBDMN COc1ccc(C[C@H](C)N2CCCn3cnc(Cn4cccn4)c3C2)c([N+](=O)[O-])c1 ZINC001170342030 1077953657 /nfs/dbraw/zinc/95/36/57/1077953657.db2.gz LNQMBUVPJADONB-INIZCTEOSA-N 0 1 410.478 2.882 20 5 HFBDMN O=[N+]([O-])c1ccc([C@H]2CCCN(CC3=Nc4ccccc4S(=O)(=O)N3)C2)cc1 ZINC001170424245 1078041173 /nfs/dbraw/zinc/04/11/73/1078041173.db2.gz LNURBRJEJFOTBE-HNNXBMFYSA-N 0 1 400.460 2.796 20 5 HFBDMN CC[C@H](C)N[C@@H](CNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F)c1ccco1 ZINC000807311006 1080504413 /nfs/dbraw/zinc/50/44/13/1080504413.db2.gz XFELXELWBHGPFP-FZMZJTMJSA-N 0 1 406.414 2.819 20 5 HFBDMN COc1nc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)ncc1[N+](=O)[O-] ZINC001164694060 719803594 /nfs/dbraw/zinc/80/35/94/719803594.db2.gz WXBKPPBZYVXSDL-UHFFFAOYSA-N 0 1 404.496 2.793 20 5 HFBDMN Cc1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164887698 721400093 /nfs/dbraw/zinc/40/00/93/721400093.db2.gz MLRMWIDGCQIVNV-JXFKEZNVSA-N 0 1 423.945 2.717 20 5 HFBDMN Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164891912 721402087 /nfs/dbraw/zinc/40/20/87/721402087.db2.gz WNTWBZGXAPWUPM-JXFKEZNVSA-N 0 1 423.945 2.717 20 5 HFBDMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@H]2CCCO[C@@H]12 ZINC001164809904 721563559 /nfs/dbraw/zinc/56/35/59/721563559.db2.gz YAHCURONFUXHQQ-YRISNDGFSA-N 0 1 408.462 2.734 20 5 HFBDMN COc1nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164901823 721583301 /nfs/dbraw/zinc/58/33/01/721583301.db2.gz BCFAIGTYVLVSGJ-SFHVURJKSA-N 0 1 420.420 2.526 20 5 HFBDMN Cc1cc(N2CCCC23CCN(CC(=O)N(C)C)CC3)nc2ccc([N+](=O)[O-])cc12 ZINC001165010615 721733534 /nfs/dbraw/zinc/73/35/34/721733534.db2.gz GZOXAXOKCGSLTF-UHFFFAOYSA-N 0 1 411.506 2.974 20 5 HFBDMN O=[N+]([O-])c1cnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c(F)c1 ZINC001164963069 722054927 /nfs/dbraw/zinc/05/49/27/722054927.db2.gz GYIFKVWGOKZUGP-UHFFFAOYSA-N 0 1 401.442 2.643 20 5 HFBDMN O=[N+]([O-])c1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164980073 722101365 /nfs/dbraw/zinc/10/13/65/722101365.db2.gz JESYCAALRSHABX-QAPCUYQASA-N 0 1 403.870 2.766 20 5 HFBDMN O=C(NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000747220118 1078717681 /nfs/dbraw/zinc/71/76/81/1078717681.db2.gz MDQVWYKGSMKGTL-CQSZACIVSA-N 0 1 410.308 2.833 20 5 HFBDMN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000805111320 1078896970 /nfs/dbraw/zinc/89/69/70/1078896970.db2.gz ULNVPXVDUHZKKG-FZMZJTMJSA-N 0 1 418.313 2.605 20 5 HFBDMN CS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)c(F)c1 ZINC000747280179 1079352218 /nfs/dbraw/zinc/35/22/18/1079352218.db2.gz PHOBXKLWZRTYJO-UHFFFAOYSA-N 0 1 424.815 2.527 20 5 HFBDMN COC[C@@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000747283684 1079356349 /nfs/dbraw/zinc/35/63/49/1079356349.db2.gz LAWSRNBLKXORMW-LLVKDONJSA-N 0 1 419.253 2.925 20 5 HFBDMN Cc1cc(=O)[nH]cc1NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000788093111 1077056630 /nfs/dbraw/zinc/05/66/30/1077056630.db2.gz IUFAXWGGDVXWGG-UHFFFAOYSA-N 0 1 406.189 2.706 20 5 HFBDMN CCC[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCN1CCOC ZINC000790911785 1077246936 /nfs/dbraw/zinc/24/69/36/1077246936.db2.gz LLZMNIWSGZOSRO-AWEZNQCLSA-N 0 1 401.866 2.889 20 5 HFBDMN C[C@H](NCCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788821784 1077309215 /nfs/dbraw/zinc/30/92/15/1077309215.db2.gz ZQOFXKGUGPPLDF-JTQLQIEISA-N 0 1 416.862 2.599 20 5 HFBDMN O=C(NCCOC(=O)c1ccc(-c2nnc[nH]2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000789803441 1077805833 /nfs/dbraw/zinc/80/58/33/1077805833.db2.gz WKVDKBYYWXEAPD-UHFFFAOYSA-N 0 1 415.793 2.620 20 5 HFBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCCCNC(=O)C(F)(F)F ZINC000792474766 1077873639 /nfs/dbraw/zinc/87/36/39/1077873639.db2.gz WIFMYRBJVUSVII-UHFFFAOYSA-N 0 1 413.146 2.891 20 5 HFBDMN COc1ccc(S(C)(=O)=O)c(CN[C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170327195 1077944137 /nfs/dbraw/zinc/94/41/37/1077944137.db2.gz FOEMMIJNCKFGJP-CYBMUJFWSA-N 0 1 408.476 2.736 20 5 HFBDMN COc1ccc(C[C@@H](C)N2C[C@@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c([N+](=O)[O-])c1 ZINC001170355474 1077948933 /nfs/dbraw/zinc/94/89/33/1077948933.db2.gz GHNDULUJFFDWAC-RDTXWAMCSA-N 0 1 421.494 2.760 20 5 HFBDMN COc1ccc(C[C@H](C)N2CCC[C@@H](NC(=O)C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC001170355256 1077949038 /nfs/dbraw/zinc/94/90/38/1077949038.db2.gz YIXHBIGZGPFZNK-MAUKXSAKSA-N 0 1 405.495 2.542 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c(C)c1[N+](=O)[O-] ZINC000790382014 1078009538 /nfs/dbraw/zinc/00/95/38/1078009538.db2.gz HSDAWILMXSCSLO-UHFFFAOYSA-N 0 1 409.376 2.692 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(-n3ccnn3)c2)c(C)c1[N+](=O)[O-] ZINC000790400085 1078025878 /nfs/dbraw/zinc/02/58/78/1078025878.db2.gz SZGUMTGTSOOWNQ-UHFFFAOYSA-N 0 1 418.391 2.501 20 5 HFBDMN COc1cc(C(=O)OC[C@@H]2CN(CC(C)C)CCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000806319155 1079571656 /nfs/dbraw/zinc/57/16/56/1079571656.db2.gz DTWWSQIHIVEFPY-LBPRGKRZSA-N 0 1 418.393 2.718 20 5 HFBDMN CN(C)C[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC000807486540 1080670237 /nfs/dbraw/zinc/67/02/37/1080670237.db2.gz SFMDGHJWQQVPEB-INIZCTEOSA-N 0 1 408.817 2.745 20 5 HFBDMN COc1ccc(C[C@@](C)(CO)NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC001176597705 1126150389 /nfs/dbraw/zinc/15/03/89/1126150389.db2.gz IDTVMNZDSZUZPO-IBGZPJMESA-N 0 1 405.407 2.604 20 5 HFBDMN Cc1cc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc1Cl ZINC001164888339 721401179 /nfs/dbraw/zinc/40/11/79/721401179.db2.gz OIWIBKNGHOCMIV-OXJNMPFZSA-N 0 1 423.945 2.717 20 5 HFBDMN Cc1nc(Cl)c([N+](=O)[O-])c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900454 721519796 /nfs/dbraw/zinc/51/97/96/721519796.db2.gz RCDDLNUWJORHDY-UKRRQHHQSA-N 0 1 407.833 2.828 20 5 HFBDMN COc1nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164901822 721583601 /nfs/dbraw/zinc/58/36/01/721583601.db2.gz BCFAIGTYVLVSGJ-GOSISDBHSA-N 0 1 420.420 2.526 20 5 HFBDMN O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164973950 722152496 /nfs/dbraw/zinc/15/24/96/722152496.db2.gz NOOVZROTYPFFQQ-YLJYHZDGSA-N 0 1 420.473 2.660 20 5 HFBDMN COc1ccc([C@@H](CN(C)C)NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000793112310 1078082783 /nfs/dbraw/zinc/08/27/83/1078082783.db2.gz ZKFLSNHJQJJNMZ-MRXNPFEDSA-N 0 1 420.853 2.614 20 5 HFBDMN Cc1c(CNS(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)cccc1[N+](=O)[O-] ZINC000790888765 1078172525 /nfs/dbraw/zinc/17/25/25/1078172525.db2.gz FMWQUQOPHDGMFD-UHFFFAOYSA-N 0 1 424.909 2.500 20 5 HFBDMN CN(Cc1ccccc1)C1CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000804530629 1078569249 /nfs/dbraw/zinc/56/92/49/1078569249.db2.gz JQUDDMRRFUUUCD-UHFFFAOYSA-N 0 1 405.252 2.709 20 5 HFBDMN CN(CCN1CCN(Cc2ccccc2)CC1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000804788090 1078644261 /nfs/dbraw/zinc/64/42/61/1078644261.db2.gz UXVYLWDAOWCOIT-UHFFFAOYSA-N 0 1 423.517 2.734 20 5 HFBDMN COC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(C)o1 ZINC000747283782 1079356467 /nfs/dbraw/zinc/35/64/67/1079356467.db2.gz MFIIMQSKTLXTHA-GFCCVEGCSA-N 0 1 419.253 2.925 20 5 HFBDMN Cc1cc(S(=O)(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)cc([N+](=O)[O-])c1F ZINC000788494896 1077180812 /nfs/dbraw/zinc/18/08/12/1077180812.db2.gz VQMMXFKGWFDGKE-UHFFFAOYSA-N 0 1 411.411 2.729 20 5 HFBDMN CN(C)c1cc(F)c(C(=O)NCC2(CN3CCOCC3)CCCCC2)cc1[N+](=O)[O-] ZINC000791222116 1077334748 /nfs/dbraw/zinc/33/47/48/1077334748.db2.gz PAQTWYDSHYIISW-UHFFFAOYSA-N 0 1 422.501 2.812 20 5 HFBDMN Cc1c(N(C(=N)N)c2ccc(N3CCOCC3)cc2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001170166325 1077860479 /nfs/dbraw/zinc/86/04/79/1077860479.db2.gz GEBZZSMECCXGCJ-UHFFFAOYSA-N 0 1 400.395 2.680 20 5 HFBDMN CCOC(=O)c1cc2n(n1)CCCN([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC001170336134 1077947209 /nfs/dbraw/zinc/94/72/09/1077947209.db2.gz UKWXKJNZAODXHN-AWEZNQCLSA-N 0 1 402.451 2.814 20 5 HFBDMN COC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C)c([N+](=O)[O-])c1 ZINC000792661401 1077961925 /nfs/dbraw/zinc/96/19/25/1077961925.db2.gz JZLWPXXZICQOJS-UHFFFAOYSA-N 0 1 409.376 2.707 20 5 HFBDMN COC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c([N+](=O)[O-])c1 ZINC000792662788 1077963827 /nfs/dbraw/zinc/96/38/27/1077963827.db2.gz ZXDPSRQSCNILHH-UHFFFAOYSA-N 0 1 409.376 2.707 20 5 HFBDMN CCNC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 ZINC000790394960 1078014297 /nfs/dbraw/zinc/01/42/97/1078014297.db2.gz ZDDKEHXUNUGYEX-UHFFFAOYSA-N 0 1 422.419 2.670 20 5 HFBDMN COC(=O)c1csc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000790398689 1078025458 /nfs/dbraw/zinc/02/54/58/1078025458.db2.gz LYLMCRMLLBXWOT-UHFFFAOYSA-N 0 1 415.405 2.769 20 5 HFBDMN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000807469098 1080645697 /nfs/dbraw/zinc/64/56/97/1080645697.db2.gz DCRVZQZIQKEPCY-OAHLLOKOSA-N 0 1 421.837 2.951 20 5 HFBDMN C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000807543390 1080757979 /nfs/dbraw/zinc/75/79/79/1080757979.db2.gz GICDAXCOVKPGJX-DYVFJYSZSA-N 0 1 416.865 2.966 20 5 HFBDMN C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000807543391 1080758256 /nfs/dbraw/zinc/75/82/56/1080758256.db2.gz GICDAXCOVKPGJX-GUYCJALGSA-N 0 1 416.865 2.966 20 5 HFBDMN Cc1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164868385 721071162 /nfs/dbraw/zinc/07/11/62/721071162.db2.gz OFVZLANRIOSRSK-JKSUJKDBSA-N 0 1 403.870 2.826 20 5 HFBDMN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164762587 721120089 /nfs/dbraw/zinc/12/00/89/721120089.db2.gz CYIAFXNBXVORQJ-CHWSQXEVSA-N 0 1 411.293 2.988 20 5 HFBDMN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164762612 721121330 /nfs/dbraw/zinc/12/13/30/721121330.db2.gz CYIAFXNBXVORQJ-STQMWFEESA-N 0 1 411.293 2.988 20 5 HFBDMN Cc1nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164912647 721732760 /nfs/dbraw/zinc/73/27/60/721732760.db2.gz PDAOUSQYHPKROM-GOSISDBHSA-N 0 1 404.421 2.826 20 5 HFBDMN O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cnc2c1 ZINC001164984296 722105869 /nfs/dbraw/zinc/10/58/69/722105869.db2.gz SCZREBIOCJGIAW-UTKZUKDTSA-N 0 1 420.473 2.660 20 5 HFBDMN Cc1cc(Cl)c(S(=O)(=O)NCCc2nnc(-c3ccccc3)[nH]2)cc1[N+](=O)[O-] ZINC000790875389 1078168201 /nfs/dbraw/zinc/16/82/01/1078168201.db2.gz LEHFQGDBFJLOBK-UHFFFAOYSA-N 0 1 421.866 2.863 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)CN2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790879543 1078169119 /nfs/dbraw/zinc/16/91/19/1078169119.db2.gz GYMBJBAIVOPMTI-NWDGAFQWSA-N 0 1 414.484 2.519 20 5 HFBDMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000804669687 1078502206 /nfs/dbraw/zinc/50/22/06/1078502206.db2.gz VWRVTOUKIWHHQM-ZIAGYGMSSA-N 0 1 407.471 2.744 20 5 HFBDMN CC1(C)[C@H](C(F)(F)F)CCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000787329229 1076742667 /nfs/dbraw/zinc/74/26/67/1076742667.db2.gz WAXNFSCRHNLMTG-MRXNPFEDSA-N 0 1 414.428 2.906 20 5 HFBDMN C[C@@H]1[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)CCN1C(=O)OC(C)(C)C ZINC000787995802 1077023066 /nfs/dbraw/zinc/02/30/66/1077023066.db2.gz OIUGRYYJCRLWDH-RISCZKNCSA-N 0 1 416.438 2.964 20 5 HFBDMN CC(C)Oc1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1C(N)=O ZINC000788493696 1077180603 /nfs/dbraw/zinc/18/06/03/1077180603.db2.gz JWNSNKHLAFBPBJ-UHFFFAOYSA-N 0 1 413.839 2.935 20 5 HFBDMN CCC[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCN1CCOC ZINC000790911786 1077246993 /nfs/dbraw/zinc/24/69/93/1077246993.db2.gz LLZMNIWSGZOSRO-CQSZACIVSA-N 0 1 401.866 2.889 20 5 HFBDMN O=C(COC(=O)c1c(F)cc(O)cc1F)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000746988076 1077335015 /nfs/dbraw/zinc/33/50/15/1077335015.db2.gz WCZLEDCIOSQROI-UHFFFAOYSA-N 0 1 424.312 2.535 20 5 HFBDMN C[C@H](CN1CCCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000788921002 1077336405 /nfs/dbraw/zinc/33/64/05/1077336405.db2.gz UWVOJZQRILACMQ-LLVKDONJSA-N 0 1 406.302 2.510 20 5 HFBDMN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2[nH]nc3c2CCCCC3)c([N+](=O)[O-])c1 ZINC000789173007 1077443563 /nfs/dbraw/zinc/44/35/63/1077443563.db2.gz ZTFWLVPPFBUTAQ-LLVKDONJSA-N 0 1 402.407 2.779 20 5 HFBDMN Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)OC[C@H](C)O)cc([N+](=O)[O-])c1C ZINC000791627858 1077519135 /nfs/dbraw/zinc/51/91/35/1077519135.db2.gz SYIQNEMSRNHAOB-LBPRGKRZSA-N 0 1 408.432 2.550 20 5 HFBDMN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789524536 1077620913 /nfs/dbraw/zinc/62/09/13/1077620913.db2.gz GGYDCEGRFDSXCM-IBGZPJMESA-N 0 1 414.437 2.795 20 5 HFBDMN C[C@H](O)COC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000792203867 1077744360 /nfs/dbraw/zinc/74/43/60/1077744360.db2.gz RSCSGSDDMFTAQM-JTQLQIEISA-N 0 1 414.823 2.587 20 5 HFBDMN CNC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1C ZINC000790393987 1078013990 /nfs/dbraw/zinc/01/39/90/1078013990.db2.gz OLUCMNIUOQINKO-UHFFFAOYSA-N 0 1 422.419 2.589 20 5 HFBDMN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCN(C2CCOCC2)CC1 ZINC000747331960 1079749073 /nfs/dbraw/zinc/74/90/73/1079749073.db2.gz GHNHLONHCOOUNP-UHFFFAOYSA-N 0 1 402.495 2.522 20 5 HFBDMN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000807469097 1080645812 /nfs/dbraw/zinc/64/58/12/1080645812.db2.gz DCRVZQZIQKEPCY-HNNXBMFYSA-N 0 1 421.837 2.951 20 5 HFBDMN CSc1nc(Cl)nc(N2CCc3ncc(CN4CCCC4)n3CC2)c1[N+](=O)[O-] ZINC001164727268 720567622 /nfs/dbraw/zinc/56/76/22/720567622.db2.gz CLOKXTPMRPADEV-UHFFFAOYSA-N 0 1 423.930 2.615 20 5 HFBDMN Cc1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164868383 721071801 /nfs/dbraw/zinc/07/18/01/721071801.db2.gz OFVZLANRIOSRSK-HZPDHXFCSA-N 0 1 403.870 2.826 20 5 HFBDMN Cc1ncc([N+](=O)[O-])c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164906198 721700646 /nfs/dbraw/zinc/70/06/46/721700646.db2.gz MADRKYDBVXDQQX-GOSISDBHSA-N 0 1 404.421 2.826 20 5 HFBDMN O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cccc(-c2nnc[nH]2)c1 ZINC000793147250 1078090431 /nfs/dbraw/zinc/09/04/31/1078090431.db2.gz MVRSSYCAWYMQMC-MRXNPFEDSA-N 0 1 421.413 2.842 20 5 HFBDMN COc1c(C)c[nH+]c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1C ZINC000790838599 1078141061 /nfs/dbraw/zinc/14/10/61/1078141061.db2.gz PQBATKKTYGZEEI-UHFFFAOYSA-N 0 1 424.435 2.619 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(CCN(C)C)C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000790856291 1078151867 /nfs/dbraw/zinc/15/18/67/1078151867.db2.gz IWKYKHPVHCIAIX-UHFFFAOYSA-N 0 1 414.484 2.615 20 5 HFBDMN Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000793619771 1078229574 /nfs/dbraw/zinc/22/95/74/1078229574.db2.gz ZIRXUAQBEJILTR-QGZVFWFLSA-N 0 1 417.466 2.828 20 5 HFBDMN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000805111321 1078896936 /nfs/dbraw/zinc/89/69/36/1078896936.db2.gz ULNVPXVDUHZKKG-RISCZKNCSA-N 0 1 418.313 2.605 20 5 HFBDMN C[C@@H]1C[C@H](c2cccnc2)N(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000805750933 1079230641 /nfs/dbraw/zinc/23/06/41/1079230641.db2.gz XLPXHVYAJVVWIP-DYESRHJHSA-N 0 1 409.490 2.722 20 5 HFBDMN CCCNC(=O)OC[C@@H]1CCCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000805774964 1079248324 /nfs/dbraw/zinc/24/83/24/1079248324.db2.gz WQGWCMJKLJWIRJ-INIZCTEOSA-N 0 1 420.466 2.884 20 5 HFBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1 ZINC000788091743 1077056231 /nfs/dbraw/zinc/05/62/31/1077056231.db2.gz WPXRPRUHZFZBJW-UHFFFAOYSA-N 0 1 418.475 2.793 20 5 HFBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2cc([C@@H]3CCCO3)nn2C)cc1[N+](=O)[O-] ZINC000788554086 1077198977 /nfs/dbraw/zinc/19/89/77/1077198977.db2.gz AZNXPKTWOMZZCG-ZDUSSCGKSA-N 0 1 400.844 2.942 20 5 HFBDMN COc1cc(OC)cc(N2CC[C@H](N[C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2=O)c1 ZINC000788665133 1077259529 /nfs/dbraw/zinc/25/95/29/1077259529.db2.gz MVBKNGSDUHLEPX-SGTLLEGYSA-N 0 1 400.435 2.650 20 5 HFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1[nH]nc2c1CCCCC2 ZINC000789174152 1077443889 /nfs/dbraw/zinc/44/38/89/1077443889.db2.gz YARZHRNLCDEPQN-LLVKDONJSA-N 0 1 402.407 2.779 20 5 HFBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000789486842 1077590550 /nfs/dbraw/zinc/59/05/50/1077590550.db2.gz PWCINTGJWLKXNY-GOSISDBHSA-N 0 1 417.487 2.763 20 5 HFBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000789486842 1077590555 /nfs/dbraw/zinc/59/05/55/1077590555.db2.gz PWCINTGJWLKXNY-GOSISDBHSA-N 0 1 417.487 2.763 20 5 HFBDMN Cc1c(NC(=O)CCN(C)[C@H]2CCN(Cc3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000789517698 1077612501 /nfs/dbraw/zinc/61/25/01/1077612501.db2.gz NSBLJVNMEAKQRP-FQEVSTJZSA-N 0 1 410.474 2.965 20 5 HFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789521176 1077615123 /nfs/dbraw/zinc/61/51/23/1077615123.db2.gz LBYOJTNERUHALR-FQEVSTJZSA-N 0 1 410.474 2.965 20 5 HFBDMN O=[N+]([O-])c1cccc([C@@H](O)CN(CCO)Cc2ccc(Br)s2)c1 ZINC000792485100 1077878043 /nfs/dbraw/zinc/87/80/43/1077878043.db2.gz SPIKUNZEAFEKBD-AWEZNQCLSA-N 0 1 401.282 2.947 20 5 HFBDMN COc1ccc(C[C@H](C)N2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c([N+](=O)[O-])c1 ZINC001170340860 1077953119 /nfs/dbraw/zinc/95/31/19/1077953119.db2.gz GWVRXNAWBHWSRI-VHSSKADRSA-N 0 1 416.503 2.980 20 5 HFBDMN Cc1cc([N+](=O)[O-])c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl ZINC001164866836 721072264 /nfs/dbraw/zinc/07/22/64/721072264.db2.gz GFZPKOVLPWBYJQ-HZPDHXFCSA-N 0 1 403.870 2.826 20 5 HFBDMN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164772635 721099624 /nfs/dbraw/zinc/09/96/24/721099624.db2.gz VJDGFNFWZCIUSA-STQMWFEESA-N 0 1 411.293 2.988 20 5 HFBDMN Cc1nc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164900166 721511344 /nfs/dbraw/zinc/51/13/44/721511344.db2.gz OSDGJLYNXZJFLC-ZFWWWQNUSA-N 0 1 407.833 2.828 20 5 HFBDMN COc1ncnc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)c1[N+](=O)[O-] ZINC001164939373 721925979 /nfs/dbraw/zinc/92/59/79/721925979.db2.gz KOSNUXVTVBIVJV-UHFFFAOYSA-N 0 1 413.478 2.573 20 5 HFBDMN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001263627409 939828318 /nfs/dbraw/zinc/82/83/18/939828318.db2.gz JLYIZPBETSKSIE-RUCTVCJSSA-N 0 1 409.442 2.844 20 5 HFBDMN O=C(NCCOC(=O)c1cccc(-c2nnc[nH]2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000793128475 1078072992 /nfs/dbraw/zinc/07/29/92/1078072992.db2.gz KCAVUAXWYLQTFO-UHFFFAOYSA-N 0 1 415.793 2.620 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(-n3ccnc3)nc2)c(C)c1[N+](=O)[O-] ZINC000790633388 1078069063 /nfs/dbraw/zinc/06/90/63/1078069063.db2.gz DSWNZTLCBDAHDC-UHFFFAOYSA-N 0 1 418.391 2.501 20 5 HFBDMN C[C@@H]1[C@H](N2CCCC2)CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000804852813 1078721469 /nfs/dbraw/zinc/72/14/69/1078721469.db2.gz OEGYXJKZQSTIRZ-DGCLKSJQSA-N 0 1 407.414 2.951 20 5 HFBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N1c2ccccc2C[C@H]1CNC(=O)C(F)(F)F ZINC001130088278 1078925320 /nfs/dbraw/zinc/92/53/20/1078925320.db2.gz ZAQNPBCCPIBRDX-ZDUSSCGKSA-N 0 1 423.347 2.853 20 5 HFBDMN COc1ccc(NC(=O)CCN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000787352718 1076792702 /nfs/dbraw/zinc/79/27/02/1076792702.db2.gz OINKODJIPLJRCD-CQSZACIVSA-N 0 1 422.482 2.921 20 5 HFBDMN C[C@H]1[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)CCN1C(=O)OC(C)(C)C ZINC000787995801 1077023021 /nfs/dbraw/zinc/02/30/21/1077023021.db2.gz OIUGRYYJCRLWDH-FZMZJTMJSA-N 0 1 416.438 2.964 20 5 HFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789525601 1077622117 /nfs/dbraw/zinc/62/21/17/1077622117.db2.gz NPKTVOOTYAVINW-HXUWFJFHSA-N 0 1 410.474 2.965 20 5 HFBDMN Cc1nn[nH]c1C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000789897316 1077854289 /nfs/dbraw/zinc/85/42/89/1077854289.db2.gz XDWXQLVLKCZFCJ-UHFFFAOYSA-N 0 1 412.475 2.708 20 5 HFBDMN O=C1OCc2c1cccc2S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000790084670 1077926825 /nfs/dbraw/zinc/92/68/25/1077926825.db2.gz DAFJICPSUDVTCE-UHFFFAOYSA-N 0 1 413.205 2.829 20 5 HFBDMN COc1ccc(C[C@@H](C)N2CCC[C@H](Oc3nccc(OC)n3)C2)c([N+](=O)[O-])c1 ZINC001170355649 1077949254 /nfs/dbraw/zinc/94/92/54/1077949254.db2.gz NYNIVJHKZVPFQC-PBHICJAKSA-N 0 1 402.451 2.876 20 5 HFBDMN COc1ccc(C[C@H](C)N2C[C@@H](OCc3cccnc3)[C@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC001170340497 1077952832 /nfs/dbraw/zinc/95/28/32/1077952832.db2.gz MEHGCJSNARRQAS-RGGPELTISA-N 0 1 413.474 2.845 20 5 HFBDMN COc1ccc(C[C@@H](C)N2CC[C@H]3O[C@H](C(=O)N4CCCC4)CC[C@H]32)c([N+](=O)[O-])c1 ZINC001170341948 1077953580 /nfs/dbraw/zinc/95/35/80/1077953580.db2.gz KYRGAWHRWCBLJJ-SKBHOOIQSA-N 0 1 417.506 2.779 20 5 HFBDMN COC(=O)Cc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000790398656 1078025499 /nfs/dbraw/zinc/02/54/99/1078025499.db2.gz KTEPOIKCBFJFQP-UHFFFAOYSA-N 0 1 423.403 2.636 20 5 HFBDMN O=[N+]([O-])c1ccc([C@@H]2CCCN(CC3=Nc4ccccc4S(=O)(=O)N3)C2)cc1 ZINC001170424246 1078041198 /nfs/dbraw/zinc/04/11/98/1078041198.db2.gz LNURBRJEJFOTBE-OAHLLOKOSA-N 0 1 400.460 2.796 20 5 HFBDMN CN(C)C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000807486732 1080670248 /nfs/dbraw/zinc/67/02/48/1080670248.db2.gz KWYWDNPOLAWIAN-HNNXBMFYSA-N 0 1 408.817 2.745 20 5 HFBDMN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164863576 720980588 /nfs/dbraw/zinc/98/05/88/720980588.db2.gz WSKYYNYDAWAFGU-CQSZACIVSA-N 0 1 416.482 2.784 20 5 HFBDMN Cc1cc(Cl)c([N+](=O)[O-])c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164870590 721073721 /nfs/dbraw/zinc/07/37/21/721073721.db2.gz WISJBHLECJVCFO-HZPDHXFCSA-N 0 1 403.870 2.826 20 5 HFBDMN Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164891915 721402043 /nfs/dbraw/zinc/40/20/43/721402043.db2.gz WNTWBZGXAPWUPM-UZLBHIALSA-N 0 1 423.945 2.717 20 5 HFBDMN COc1ccc([C@H](CN(C)C)NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000793112307 1078082743 /nfs/dbraw/zinc/08/27/43/1078082743.db2.gz ZKFLSNHJQJJNMZ-INIZCTEOSA-N 0 1 420.853 2.614 20 5 HFBDMN Cc1ccc2nc(CNS(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)[nH]c2c1 ZINC000790850327 1078148270 /nfs/dbraw/zinc/14/82/70/1078148270.db2.gz IPCVUJLJLYXBHY-UHFFFAOYSA-N 0 1 419.419 2.783 20 5 HFBDMN CCOc1cc(N2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)ccc1[N+](=O)[O-] ZINC000794041439 1078364211 /nfs/dbraw/zinc/36/42/11/1078364211.db2.gz HGUIXWWENUFOIU-UHFFFAOYSA-N 0 1 416.390 2.570 20 5 HFBDMN C[C@H]1C[C@@H](c2cccnc2)N(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000805751010 1079230756 /nfs/dbraw/zinc/23/07/56/1079230756.db2.gz XLPXHVYAJVVWIP-UWJYYQICSA-N 0 1 409.490 2.722 20 5 HFBDMN CS(=O)(=O)Cc1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000746694997 1076861230 /nfs/dbraw/zinc/86/12/30/1076861230.db2.gz RMTNPPYVMDFIAI-UHFFFAOYSA-N 0 1 404.853 2.594 20 5 HFBDMN Cn1ccc2cccc(NS(=O)(=O)c3ccc(N4CCOC4=O)c([N+](=O)[O-])c3)c21 ZINC000788061448 1077045845 /nfs/dbraw/zinc/04/58/45/1077045845.db2.gz DKTOBPWTNAFNAA-UHFFFAOYSA-N 0 1 416.415 2.844 20 5 HFBDMN COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)N(C)C)c1 ZINC000791196122 1077320844 /nfs/dbraw/zinc/32/08/44/1077320844.db2.gz BZDJKZPCAHHMOU-IBGZPJMESA-N 0 1 404.442 2.841 20 5 HFBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000791270958 1077354299 /nfs/dbraw/zinc/35/42/99/1077354299.db2.gz LSPYGAQWIBPQDK-HNNXBMFYSA-N 0 1 400.483 2.934 20 5 HFBDMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])c(F)cc3N)cc2)C[C@@H](C)O1 ZINC000791326483 1077374955 /nfs/dbraw/zinc/37/49/55/1077374955.db2.gz ZAJWGXVPJOSYFG-ZIAGYGMSSA-N 0 1 416.453 2.855 20 5 HFBDMN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791795104 1077559974 /nfs/dbraw/zinc/55/99/74/1077559974.db2.gz FYZOFDBVLZNNHI-UHFFFAOYSA-N 0 1 415.362 2.544 20 5 HFBDMN Cc1cc(C)c(N2CC[C@H](NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2=O)c(C)c1 ZINC000789894689 1077853779 /nfs/dbraw/zinc/85/37/79/1077853779.db2.gz LOWFHIXMEGABKH-KRWDZBQOSA-N 0 1 407.430 2.932 20 5 HFBDMN COc1ccc(C[C@H](C)N2CCC[C@@H](OCC(=O)NC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170351378 1077956083 /nfs/dbraw/zinc/95/60/83/1077956083.db2.gz FPUFKAUCOCSYML-MAUKXSAKSA-N 0 1 407.511 2.930 20 5 HFBDMN CC(=O)N(C)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790389365 1078012816 /nfs/dbraw/zinc/01/28/16/1078012816.db2.gz LEBDBPAUNMRHPV-UHFFFAOYSA-N 0 1 422.419 2.903 20 5 HFBDMN CN(C)C(=O)CN1CCC2(CCCN2c2ccc(-c3ccccc3[N+](=O)[O-])nn2)CC1 ZINC001165012807 721747165 /nfs/dbraw/zinc/74/71/65/721747165.db2.gz NVZMIIWSEQCHOA-UHFFFAOYSA-N 0 1 424.505 2.575 20 5 HFBDMN O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984751 722101109 /nfs/dbraw/zinc/10/11/09/722101109.db2.gz UTKYKHLNOPGHTC-NVXWUHKLSA-N 0 1 403.870 2.766 20 5 HFBDMN COc1nc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nc(OC)c1[N+](=O)[O-] ZINC001164994830 722199881 /nfs/dbraw/zinc/19/98/81/722199881.db2.gz QAKBZHAALYCXFJ-FQEVSTJZSA-N 0 1 417.441 2.786 20 5 HFBDMN O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccc(-c2nnc[nH]2)cc1 ZINC000793136807 1078087958 /nfs/dbraw/zinc/08/79/58/1078087958.db2.gz BHSGSYCIGLULMH-UHFFFAOYSA-N 0 1 408.418 2.848 20 5 HFBDMN O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1cccc(-c2nnc[nH]2)c1 ZINC000793138149 1078088607 /nfs/dbraw/zinc/08/86/07/1078088607.db2.gz SMDTUYSHSDQULF-UHFFFAOYSA-N 0 1 408.418 2.848 20 5 HFBDMN O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2nnc[nH]2)cc1 ZINC000793148235 1078090567 /nfs/dbraw/zinc/09/05/67/1078090567.db2.gz UAOLNVCGALULBV-MRXNPFEDSA-N 0 1 421.413 2.842 20 5 HFBDMN Cc1cc2n[nH]cc2cc1NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 ZINC000790645443 1078092489 /nfs/dbraw/zinc/09/24/89/1078092489.db2.gz FLEDQXCHYVMVLT-UHFFFAOYSA-N 0 1 417.403 2.537 20 5 HFBDMN CCOc1cc(N2CCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000793304208 1078123273 /nfs/dbraw/zinc/12/32/73/1078123273.db2.gz SHOWIXSATOPEHC-UHFFFAOYSA-N 0 1 402.407 2.930 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790825741 1078158114 /nfs/dbraw/zinc/15/81/14/1078158114.db2.gz AHNYDAWGAXVAJA-VXGBXAGGSA-N 0 1 414.484 2.519 20 5 HFBDMN COC(=O)[C@@]1(c2ccccc2)CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000793599489 1078220688 /nfs/dbraw/zinc/22/06/88/1078220688.db2.gz RNVYCPMYAVLWEF-NRFANRHFSA-N 0 1 407.430 2.628 20 5 HFBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000794038861 1078363831 /nfs/dbraw/zinc/36/38/31/1078363831.db2.gz QLLWEZCVOFFPEZ-HNNXBMFYSA-N 0 1 415.450 2.659 20 5 HFBDMN CN(CCCN(C)C(=O)c1cc([N+](=O)[O-])ncc1Br)Cc1ccco1 ZINC000804867878 1078692256 /nfs/dbraw/zinc/69/22/56/1078692256.db2.gz NKVGSQPXHITLFM-UHFFFAOYSA-N 0 1 411.256 2.939 20 5 HFBDMN CCOC(=O)[C@H]1[C@H](NCc2cccc([N+](=O)[O-])c2C)CCN1C(=O)OC(C)(C)C ZINC000788778639 1077299134 /nfs/dbraw/zinc/29/91/34/1077299134.db2.gz TXAQXZIXIRBSRG-NVXWUHKLSA-N 0 1 407.467 2.934 20 5 HFBDMN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)c2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC000791140145 1077305110 /nfs/dbraw/zinc/30/51/10/1077305110.db2.gz GWSXIXRASKSEJI-HXUWFJFHSA-N 0 1 410.430 2.893 20 5 HFBDMN C[C@@H](NCCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788821785 1077309233 /nfs/dbraw/zinc/30/92/33/1077309233.db2.gz ZQOFXKGUGPPLDF-SNVBAGLBSA-N 0 1 416.862 2.599 20 5 HFBDMN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)cc2CC1 ZINC000789736544 1077772293 /nfs/dbraw/zinc/77/22/93/1077772293.db2.gz BNYNDQQKCBYFEI-UHFFFAOYSA-N 0 1 423.878 2.996 20 5 HFBDMN COC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000790385495 1078011430 /nfs/dbraw/zinc/01/14/30/1078011430.db2.gz HSPLHTMXYLBDFM-UHFFFAOYSA-N 0 1 409.376 2.707 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cn(C)nc2C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000790404714 1078019215 /nfs/dbraw/zinc/01/92/15/1078019215.db2.gz OMTZUMAVNKQFBP-UHFFFAOYSA-N 0 1 423.329 2.673 20 5 HFBDMN Cc1c(NC(=O)C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)c(F)ccc1[N+](=O)[O-] ZINC000807487456 1080671365 /nfs/dbraw/zinc/67/13/65/1080671365.db2.gz XGCRANTUZZJPKR-HNNXBMFYSA-N 0 1 406.389 2.539 20 5 HFBDMN C[C@H]1[C@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000807543393 1080758119 /nfs/dbraw/zinc/75/81/19/1080758119.db2.gz GICDAXCOVKPGJX-SUMWQHHRSA-N 0 1 416.865 2.966 20 5 HFBDMN Cc1nc(Cl)c([N+](=O)[O-])c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900449 721519919 /nfs/dbraw/zinc/51/99/19/721519919.db2.gz RCDDLNUWJORHDY-DZGCQCFKSA-N 0 1 407.833 2.828 20 5 HFBDMN COc1ncnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164904370 721703693 /nfs/dbraw/zinc/70/36/93/721703693.db2.gz CKOCJKHBWRZVGO-GOSISDBHSA-N 0 1 420.420 2.526 20 5 HFBDMN Cc1ccc(CN2CCOC3(CCN(c4c(C)c([N+](=O)[O-])cc[n+]4[O-])CC3)C2)cc1 ZINC001164938612 721927838 /nfs/dbraw/zinc/92/78/38/721927838.db2.gz ARPOIZPWIUFNNW-UHFFFAOYSA-N 0 1 412.490 2.716 20 5 HFBDMN O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984752 722101006 /nfs/dbraw/zinc/10/10/06/722101006.db2.gz UTKYKHLNOPGHTC-RDJZCZTQSA-N 0 1 403.870 2.766 20 5 HFBDMN COCc1cc(C(=O)OC)cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000794029113 1078369609 /nfs/dbraw/zinc/36/96/09/1078369609.db2.gz LNWFHHXOSWWNGQ-UHFFFAOYSA-N 0 1 414.823 2.982 20 5 HFBDMN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000805111532 1078896463 /nfs/dbraw/zinc/89/64/63/1078896463.db2.gz XWWYERBBWKRYFF-DGCLKSJQSA-N 0 1 418.313 2.605 20 5 HFBDMN CCN(C)C(=O)OC[C@@H]1CCCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000805762158 1079264136 /nfs/dbraw/zinc/26/41/36/1079264136.db2.gz NZNCSQRPDNKSQF-INIZCTEOSA-N 0 1 420.466 2.836 20 5 HFBDMN C[C@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788755347 1077277590 /nfs/dbraw/zinc/27/75/90/1077277590.db2.gz RTXSDPULJAYPKR-LBPRGKRZSA-N 0 1 408.455 2.707 20 5 HFBDMN Cc1[nH]nc(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000791039552 1077279201 /nfs/dbraw/zinc/27/92/01/1077279201.db2.gz SKMOTXHGVJSZOT-UHFFFAOYSA-N 0 1 407.471 2.880 20 5 HFBDMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c1 ZINC000791198852 1077321154 /nfs/dbraw/zinc/32/11/54/1077321154.db2.gz DEEAAIUNKTVCQC-UHFFFAOYSA-N 0 1 411.411 2.551 20 5 HFBDMN C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000788912674 1077350586 /nfs/dbraw/zinc/35/05/86/1077350586.db2.gz KUHYAKMPVJGGDN-NEPJUHHUSA-N 0 1 420.329 2.756 20 5 HFBDMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000788913967 1077352122 /nfs/dbraw/zinc/35/21/22/1077352122.db2.gz SCDXEQHPZQYFHN-VXGBXAGGSA-N 0 1 420.329 2.756 20 5 HFBDMN C[C@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000788913967 1077352128 /nfs/dbraw/zinc/35/21/28/1077352128.db2.gz SCDXEQHPZQYFHN-VXGBXAGGSA-N 0 1 420.329 2.756 20 5 HFBDMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000788913966 1077352194 /nfs/dbraw/zinc/35/21/94/1077352194.db2.gz SCDXEQHPZQYFHN-RYUDHWBXSA-N 0 1 420.329 2.756 20 5 HFBDMN C[C@@H](CN1CCC[C@H](C)C1)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000788913966 1077352201 /nfs/dbraw/zinc/35/22/01/1077352201.db2.gz SCDXEQHPZQYFHN-RYUDHWBXSA-N 0 1 420.329 2.756 20 5 HFBDMN C[C@H]1CN(Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])c(F)cc3N)cc2)C[C@H](C)O1 ZINC000791326479 1077374932 /nfs/dbraw/zinc/37/49/32/1077374932.db2.gz ZAJWGXVPJOSYFG-KBPBESRZSA-N 0 1 416.453 2.855 20 5 HFBDMN O=[N+]([O-])c1cccc([C@H](O)CN(CCO)Cc2ccc(Br)s2)c1 ZINC000792485101 1077877922 /nfs/dbraw/zinc/87/79/22/1077877922.db2.gz SPIKUNZEAFEKBD-CQSZACIVSA-N 0 1 401.282 2.947 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc([S@@](C)=O)c2)c(C)c1[N+](=O)[O-] ZINC000790390991 1078013101 /nfs/dbraw/zinc/01/31/01/1078013101.db2.gz RJPYWNSQGNGGGM-AREMUKBSSA-N 0 1 413.433 2.658 20 5 HFBDMN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCN(C3CCOCC3)CC2)CC1 ZINC000747334857 1079787406 /nfs/dbraw/zinc/78/74/06/1079787406.db2.gz VZFPBIRTDFWHBT-UHFFFAOYSA-N 0 1 416.522 2.768 20 5 HFBDMN CC[C@@H](C)N[C@H](CNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F)c1ccco1 ZINC000807311005 1080504468 /nfs/dbraw/zinc/50/44/68/1080504468.db2.gz XFELXELWBHGPFP-BXUZGUMPSA-N 0 1 406.414 2.819 20 5 HFBDMN CN(C)c1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2[nH]1 ZINC000807434371 1080592402 /nfs/dbraw/zinc/59/24/02/1080592402.db2.gz KFXXRFUEUQGLLK-UHFFFAOYSA-N 0 1 410.434 2.626 20 5 HFBDMN CSc1nc(Cl)c([N+](=O)[O-])c(N2CCc3ncc(CN4CCCC4)n3CC2)n1 ZINC001164733326 720552202 /nfs/dbraw/zinc/55/22/02/720552202.db2.gz LJBVIHAJFYJNIQ-UHFFFAOYSA-N 0 1 423.930 2.615 20 5 HFBDMN COc1cc(C)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164903353 721530543 /nfs/dbraw/zinc/53/05/43/721530543.db2.gz CDJWCKMTSKFNEE-DOTOQJQBSA-N 0 1 402.426 2.788 20 5 HFBDMN COc1cc2ncnc(N3CCN(CCOc4ccccc4)CC3)c2cc1[N+](=O)[O-] ZINC001165044169 721956823 /nfs/dbraw/zinc/95/68/23/721956823.db2.gz HFQCPKRRUCHLRD-UHFFFAOYSA-N 0 1 409.446 2.748 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(N3CCCC3)nc2)c(C)c1[N+](=O)[O-] ZINC000790638487 1078072935 /nfs/dbraw/zinc/07/29/35/1078072935.db2.gz CAIPFSKAXQMTOE-UHFFFAOYSA-N 0 1 421.435 2.916 20 5 HFBDMN O=C(c1[nH]nc2ccc(Cl)cc21)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001129439696 1078466186 /nfs/dbraw/zinc/46/61/86/1078466186.db2.gz HPUNCAFCLGRUGE-UHFFFAOYSA-N 0 1 413.821 2.723 20 5 HFBDMN C[C@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805158569 1078950644 /nfs/dbraw/zinc/95/06/44/1078950644.db2.gz UGPYOUGWANAIHS-HUBLWGQQSA-N 0 1 416.400 2.624 20 5 HFBDMN C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805788040 1079255511 /nfs/dbraw/zinc/25/55/11/1079255511.db2.gz GIBPQLBDRDQJNS-MKBNYLNASA-N 0 1 416.400 2.701 20 5 HFBDMN COC[C@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000747283686 1079356490 /nfs/dbraw/zinc/35/64/90/1079356490.db2.gz LAWSRNBLKXORMW-NSHDSACASA-N 0 1 419.253 2.925 20 5 HFBDMN C[C@H](CN1CCC[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000788912675 1077350647 /nfs/dbraw/zinc/35/06/47/1077350647.db2.gz KUHYAKMPVJGGDN-NWDGAFQWSA-N 0 1 420.329 2.756 20 5 HFBDMN COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)N2CCCC2)c1 ZINC000791298887 1077361123 /nfs/dbraw/zinc/36/11/23/1077361123.db2.gz HOWVNLXJPSHRLX-IBGZPJMESA-N 0 1 402.426 2.892 20 5 HFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789525598 1077622093 /nfs/dbraw/zinc/62/20/93/1077622093.db2.gz NPKTVOOTYAVINW-FQEVSTJZSA-N 0 1 410.474 2.965 20 5 HFBDMN CCc1[nH]nc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1Br ZINC000789868316 1077844112 /nfs/dbraw/zinc/84/41/12/1077844112.db2.gz CQCHQQNJHXWEAS-UHFFFAOYSA-N 0 1 408.256 2.605 20 5 HFBDMN COc1ccc(C[C@H](C)N2C[C@@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c([N+](=O)[O-])c1 ZINC001170355471 1077949030 /nfs/dbraw/zinc/94/90/30/1077949030.db2.gz GHNDULUJFFDWAC-KBXCAEBGSA-N 0 1 421.494 2.760 20 5 HFBDMN COc1ccc(C[C@@H](C)N2C[C@@H](OCC3CCOCC3)[C@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC001170341386 1077953372 /nfs/dbraw/zinc/95/33/72/1077953372.db2.gz QAKVQXLRBNLYIF-GZIQRIHMSA-N 0 1 420.506 2.677 20 5 HFBDMN CCNC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000790387011 1078011563 /nfs/dbraw/zinc/01/15/63/1078011563.db2.gz QOYRRURRZPWSDE-UHFFFAOYSA-N 0 1 422.419 2.670 20 5 HFBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)cs1 ZINC000790408023 1078019818 /nfs/dbraw/zinc/01/98/18/1078019818.db2.gz VLDDQGXHYBXCPG-UHFFFAOYSA-N 0 1 405.461 2.586 20 5 HFBDMN CC(C)(C)c1ccc(NC(=O)C(=O)NCc2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000792983994 1078040625 /nfs/dbraw/zinc/04/06/25/1078040625.db2.gz VPOZBVKLFYQNIH-UHFFFAOYSA-N 0 1 422.445 2.932 20 5 HFBDMN CC(C)(C)c1ccc(NC(=O)C(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000792983994 1078040629 /nfs/dbraw/zinc/04/06/29/1078040629.db2.gz VPOZBVKLFYQNIH-UHFFFAOYSA-N 0 1 422.445 2.932 20 5 HFBDMN COc1cc(C(=O)OC[C@H]2CN(CC(C)C)CCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000806319154 1079571037 /nfs/dbraw/zinc/57/10/37/1079571037.db2.gz DTWWSQIHIVEFPY-GFCCVEGCSA-N 0 1 418.393 2.718 20 5 HFBDMN COc1cc(C(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001130733198 1079971501 /nfs/dbraw/zinc/97/15/01/1079971501.db2.gz MAVIGIHOXUYEEO-PMACEKPBSA-N 0 1 411.458 2.719 20 5 HFBDMN O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC001130733568 1079973060 /nfs/dbraw/zinc/97/30/60/1079973060.db2.gz SZDYIMMCJMIVJI-VQTJNVASSA-N 0 1 417.412 2.989 20 5 HFBDMN COc1cc(C)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164903355 721530167 /nfs/dbraw/zinc/53/01/67/721530167.db2.gz CDJWCKMTSKFNEE-RDJZCZTQSA-N 0 1 402.426 2.788 20 5 HFBDMN O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984750 722101320 /nfs/dbraw/zinc/10/13/20/722101320.db2.gz UTKYKHLNOPGHTC-DOTOQJQBSA-N 0 1 403.870 2.766 20 5 HFBDMN O=C([O-])[C@@]1(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCC[N@@H+](Cc2ccccc2)C1 ZINC001123267469 939816834 /nfs/dbraw/zinc/81/68/34/939816834.db2.gz HTFAFLWQGGIIIZ-JOCHJYFZSA-N 0 1 422.441 2.925 20 5 HFBDMN Cc1nc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)nc2c1CCCC2 ZINC000790637949 1078072090 /nfs/dbraw/zinc/07/20/90/1078072090.db2.gz DJIUDRHIEXCESZ-UHFFFAOYSA-N 0 1 421.435 2.898 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)N2CCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000790826167 1078157773 /nfs/dbraw/zinc/15/77/73/1078157773.db2.gz IMQLXMSOEJAKKW-NEPJUHHUSA-N 0 1 414.484 2.661 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)N2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790825740 1078158060 /nfs/dbraw/zinc/15/80/60/1078158060.db2.gz AHNYDAWGAXVAJA-RYUDHWBXSA-N 0 1 414.484 2.519 20 5 HFBDMN O=C(NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000747220116 1078717618 /nfs/dbraw/zinc/71/76/18/1078717618.db2.gz MDQVWYKGSMKGTL-AWEZNQCLSA-N 0 1 410.308 2.833 20 5 HFBDMN O=C(NC1CCCCC1)OC[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000805828829 1079298227 /nfs/dbraw/zinc/29/82/27/1079298227.db2.gz BWAUNYSPKHZPCQ-SFHVURJKSA-N 0 1 406.483 2.670 20 5 HFBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1 ZINC000788498134 1077182286 /nfs/dbraw/zinc/18/22/86/1077182286.db2.gz HFQQEULWYGMSGS-UHFFFAOYSA-N 0 1 418.431 2.539 20 5 HFBDMN C[C@@H](CN1CCC[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000788912676 1077350617 /nfs/dbraw/zinc/35/06/17/1077350617.db2.gz KUHYAKMPVJGGDN-RYUDHWBXSA-N 0 1 420.329 2.756 20 5 HFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789521180 1077615040 /nfs/dbraw/zinc/61/50/40/1077615040.db2.gz LBYOJTNERUHALR-HXUWFJFHSA-N 0 1 410.474 2.965 20 5 HFBDMN Cc1cc(C)c(N2CC[C@@H](NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2=O)c(C)c1 ZINC000789894690 1077853797 /nfs/dbraw/zinc/85/37/97/1077853797.db2.gz LOWFHIXMEGABKH-QGZVFWFLSA-N 0 1 407.430 2.932 20 5 HFBDMN CCOC(=O)c1cc(N(C(=N)N)c2ccc(N3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC001170167327 1077879358 /nfs/dbraw/zinc/87/93/58/1077879358.db2.gz BFVNKUBBAYOQBI-UHFFFAOYSA-N 0 1 413.434 2.640 20 5 HFBDMN CCOc1cc(CN2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001170281074 1077936873 /nfs/dbraw/zinc/93/68/73/1077936873.db2.gz URNRFWQCOHJHOI-UONOGXRCSA-N 0 1 401.385 2.836 20 5 HFBDMN COc1ccc(C[C@H](C)N2CCC(n3nnc4ccccc4c3=O)CC2)c([N+](=O)[O-])c1 ZINC001170352791 1077948436 /nfs/dbraw/zinc/94/84/36/1077948436.db2.gz QKVJRZRTRJEQPS-HNNXBMFYSA-N 0 1 423.473 2.976 20 5 HFBDMN COc1ccc(C[C@H](C)N2CCC(Oc3nccc(OC)n3)CC2)c([N+](=O)[O-])c1 ZINC001170354322 1077948719 /nfs/dbraw/zinc/94/87/19/1077948719.db2.gz ITKVSRXIISYCTQ-AWEZNQCLSA-N 0 1 402.451 2.876 20 5 HFBDMN COc1ccc(C[C@H](C)N2CCC[C@@H](Oc3nccc(OC)n3)C2)c([N+](=O)[O-])c1 ZINC001170355651 1077949220 /nfs/dbraw/zinc/94/92/20/1077949220.db2.gz NYNIVJHKZVPFQC-WMLDXEAASA-N 0 1 402.451 2.876 20 5 HFBDMN COc1ccc(C[C@H](C)N2CC[C@H](Oc3nc(C)cc(OC)n3)C2)c([N+](=O)[O-])c1 ZINC001170355629 1077949232 /nfs/dbraw/zinc/94/92/32/1077949232.db2.gz MXIRVWBXPVRFAK-YOEHRIQHSA-N 0 1 402.451 2.795 20 5 HFBDMN COC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 ZINC000790382079 1078009485 /nfs/dbraw/zinc/00/94/85/1078009485.db2.gz LDTODFJGIFRWFH-UHFFFAOYSA-N 0 1 409.376 2.707 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2-n2cncn2)c(C)c1[N+](=O)[O-] ZINC000790384744 1078010649 /nfs/dbraw/zinc/01/06/49/1078010649.db2.gz QWFGBHVAIWOSQT-UHFFFAOYSA-N 0 1 418.391 2.501 20 5 HFBDMN Cc1cc(Cl)c([N+](=O)[O-])c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164870593 721073366 /nfs/dbraw/zinc/07/33/66/721073366.db2.gz WISJBHLECJVCFO-JKSUJKDBSA-N 0 1 403.870 2.826 20 5 HFBDMN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164772626 721099682 /nfs/dbraw/zinc/09/96/82/721099682.db2.gz VJDGFNFWZCIUSA-CHWSQXEVSA-N 0 1 411.293 2.988 20 5 HFBDMN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164762605 721121120 /nfs/dbraw/zinc/12/11/20/721121120.db2.gz CYIAFXNBXVORQJ-OLZOCXBDSA-N 0 1 411.293 2.988 20 5 HFBDMN Cc1cc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc1Cl ZINC001164888338 721401490 /nfs/dbraw/zinc/40/14/90/721401490.db2.gz OIWIBKNGHOCMIV-JXFKEZNVSA-N 0 1 423.945 2.717 20 5 HFBDMN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC(CCN2CCOCC2)CC1 ZINC000790598530 1078064258 /nfs/dbraw/zinc/06/42/58/1078064258.db2.gz ODULREVUYMMFCW-UHFFFAOYSA-N 0 1 413.877 2.891 20 5 HFBDMN O=C(OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccc(-c2nnc[nH]2)cc1 ZINC000793137745 1078088292 /nfs/dbraw/zinc/08/82/92/1078088292.db2.gz OVDDZBTUSAGCPN-UHFFFAOYSA-N 0 1 408.418 2.848 20 5 HFBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC001170435601 1078213878 /nfs/dbraw/zinc/21/38/78/1078213878.db2.gz RDAJYTCYUIZRAV-DNVCBOLYSA-N 0 1 413.478 2.552 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc3c2CN(C)C3)c(C)c1[N+](=O)[O-] ZINC000794040850 1078364356 /nfs/dbraw/zinc/36/43/56/1078364356.db2.gz AYUQRFCNSHLIGT-UHFFFAOYSA-N 0 1 406.420 2.866 20 5 HFBDMN CN(CC(=O)N(C)C1CCN(CCC(F)(F)F)CC1)c1ccccc1[N+](=O)[O-] ZINC001129800421 1078476940 /nfs/dbraw/zinc/47/69/40/1078476940.db2.gz NMOMKRBICBPIPG-UHFFFAOYSA-N 0 1 402.417 2.906 20 5 HFBDMN CN(CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)Cc1ccco1 ZINC000804870121 1078693493 /nfs/dbraw/zinc/69/34/93/1078693493.db2.gz QEMMJEWFWOXZSY-UHFFFAOYSA-N 0 1 416.478 2.619 20 5 HFBDMN CC1(C)[C@@H](C(F)(F)F)CCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000787329227 1076742841 /nfs/dbraw/zinc/74/28/41/1076742841.db2.gz WAXNFSCRHNLMTG-INIZCTEOSA-N 0 1 414.428 2.906 20 5 HFBDMN COc1ccc(C[C@H](C)N2CCC[C@H](OCC(=O)NC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170351380 1077956135 /nfs/dbraw/zinc/95/61/35/1077956135.db2.gz FPUFKAUCOCSYML-YJBOKZPZSA-N 0 1 407.511 2.930 20 5 HFBDMN COc1ccc(NC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000806402907 1079691415 /nfs/dbraw/zinc/69/14/15/1079691415.db2.gz OGZLRXSBQVORFO-BHDSKKPTSA-N 0 1 418.372 2.913 20 5 HFBDMN C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000807543388 1080758202 /nfs/dbraw/zinc/75/82/02/1080758202.db2.gz GICDAXCOVKPGJX-CXAGYDPISA-N 0 1 416.865 2.966 20 5 HFBDMN Cc1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164868381 721070908 /nfs/dbraw/zinc/07/09/08/721070908.db2.gz OFVZLANRIOSRSK-HOTGVXAUSA-N 0 1 403.870 2.826 20 5 HFBDMN Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164891914 721402456 /nfs/dbraw/zinc/40/24/56/721402456.db2.gz WNTWBZGXAPWUPM-OXQOHEQNSA-N 0 1 423.945 2.717 20 5 HFBDMN CN(C)C(=O)CN1CCC2(CCCN2c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC001165009295 721744188 /nfs/dbraw/zinc/74/41/88/721744188.db2.gz BIQGOEJJGOLFIU-UHFFFAOYSA-N 0 1 424.505 2.575 20 5 HFBDMN O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980121 722105051 /nfs/dbraw/zinc/10/50/51/722105051.db2.gz JRHBYUBGSOIGGS-CRAIPNDOSA-N 0 1 403.870 2.766 20 5 HFBDMN O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980616 722105159 /nfs/dbraw/zinc/10/51/59/722105159.db2.gz JRHBYUBGSOIGGS-QAPCUYQASA-N 0 1 403.870 2.766 20 5 HFBDMN O=[N+]([O-])c1ccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cnc2c1 ZINC001164984297 722105666 /nfs/dbraw/zinc/10/56/66/722105666.db2.gz SCZREBIOCJGIAW-UWJYYQICSA-N 0 1 420.473 2.660 20 5 HFBDMN CCc1[nH]nc(C(=O)N2CCCC[C@H]2COC(=O)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000804669685 1078502236 /nfs/dbraw/zinc/50/22/36/1078502236.db2.gz VWRVTOUKIWHHQM-KGLIPLIRSA-N 0 1 407.471 2.744 20 5 HFBDMN CCN(C)C(=O)OC[C@H]1CCCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000805762161 1079264113 /nfs/dbraw/zinc/26/41/13/1079264113.db2.gz NZNCSQRPDNKSQF-MRXNPFEDSA-N 0 1 420.466 2.836 20 5 HFBDMN CN(C)c1cc(F)c(C(=O)NC2CCN(Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000791204255 1077342581 /nfs/dbraw/zinc/34/25/81/1077342581.db2.gz GWPYOZQNHCYCAL-UHFFFAOYSA-N 0 1 401.442 2.589 20 5 HFBDMN C[C@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000788912677 1077350555 /nfs/dbraw/zinc/35/05/55/1077350555.db2.gz KUHYAKMPVJGGDN-VXGBXAGGSA-N 0 1 420.329 2.756 20 5 HFBDMN Cc1cccc(N2CCN(CCCNC(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC2)c1 ZINC000791325848 1077374434 /nfs/dbraw/zinc/37/44/34/1077374434.db2.gz UWNIRXBPSSLKJB-UHFFFAOYSA-N 0 1 415.469 2.567 20 5 HFBDMN CCOC(=O)c1cc2n(n1)CCCN([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC001170336136 1077947226 /nfs/dbraw/zinc/94/72/26/1077947226.db2.gz UKWXKJNZAODXHN-CQSZACIVSA-N 0 1 402.451 2.814 20 5 HFBDMN COc1ccc(C[C@@H](C)N2CCC[C@@H](Oc3nccc(OC)n3)C2)c([N+](=O)[O-])c1 ZINC001170355650 1077949249 /nfs/dbraw/zinc/94/92/49/1077949249.db2.gz NYNIVJHKZVPFQC-RHSMWYFYSA-N 0 1 402.451 2.876 20 5 HFBDMN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000807544349 1080759907 /nfs/dbraw/zinc/75/99/07/1080759907.db2.gz QARWMCHJRFGQAE-YOEHRIQHSA-N 0 1 414.437 2.760 20 5 HFBDMN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164762608 721120727 /nfs/dbraw/zinc/12/07/27/721120727.db2.gz CYIAFXNBXVORQJ-QWHCGFSZSA-N 0 1 411.293 2.988 20 5 HFBDMN Cc1nc(Cl)c([N+](=O)[O-])c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900452 721519493 /nfs/dbraw/zinc/51/94/93/721519493.db2.gz RCDDLNUWJORHDY-HIFRSBDPSA-N 0 1 407.833 2.828 20 5 HFBDMN CN(C)C(=O)CN1CCC2(CCCN2c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001165010156 721733503 /nfs/dbraw/zinc/73/35/03/721733503.db2.gz CXMLCDQRFITMFD-UHFFFAOYSA-N 0 1 416.309 2.820 20 5 HFBDMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC001165031160 721844824 /nfs/dbraw/zinc/84/48/24/721844824.db2.gz VRDITRUAEVDLAC-UHFFFAOYSA-N 0 1 401.467 2.811 20 5 HFBDMN O=[N+]([O-])c1cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc2[nH]ccc21 ZINC001164959988 722058298 /nfs/dbraw/zinc/05/82/98/722058298.db2.gz BPHJOWCBDDLLNX-UHFFFAOYSA-N 0 1 422.489 2.985 20 5 HFBDMN O=C(CCc1cnc[nH]1)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000793114984 1078083300 /nfs/dbraw/zinc/08/33/00/1078083300.db2.gz BSJQQQILXZUEED-KRWDZBQOSA-N 0 1 400.435 2.879 20 5 HFBDMN COC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000790642523 1078091028 /nfs/dbraw/zinc/09/10/28/1078091028.db2.gz OUKWENPGMAAQNA-UHFFFAOYSA-N 0 1 407.408 2.550 20 5 HFBDMN CC(C)[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000793247459 1078109566 /nfs/dbraw/zinc/10/95/66/1078109566.db2.gz OUMHKCNDHMZAQB-GOSISDBHSA-N 0 1 420.901 2.559 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790879540 1078169112 /nfs/dbraw/zinc/16/91/12/1078169112.db2.gz GYMBJBAIVOPMTI-NEPJUHHUSA-N 0 1 414.484 2.519 20 5 HFBDMN COCc1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000793453480 1078191652 /nfs/dbraw/zinc/19/16/52/1078191652.db2.gz RHGPVMFABUNFHN-UHFFFAOYSA-N 0 1 414.823 2.982 20 5 HFBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000805121848 1078920794 /nfs/dbraw/zinc/92/07/94/1078920794.db2.gz JJCKPNFZCPXFJS-CYBMUJFWSA-N 0 1 408.329 2.765 20 5 HFBDMN CC(C)(C)OC(=O)CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC001130199737 1079069901 /nfs/dbraw/zinc/06/99/01/1079069901.db2.gz PVXHRRQWQLTVFA-UHFFFAOYSA-N 0 1 418.450 2.824 20 5 HFBDMN C[C@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805788852 1079256456 /nfs/dbraw/zinc/25/64/56/1079256456.db2.gz OIEGHJZAXHUYDE-PGUXBMHVSA-N 0 1 417.384 2.739 20 5 HFBDMN COC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccco1 ZINC000747286623 1079399787 /nfs/dbraw/zinc/39/97/87/1079399787.db2.gz WNGNUPMQZQSFCQ-NSHDSACASA-N 0 1 405.226 2.616 20 5 HFBDMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000746691199 1076846289 /nfs/dbraw/zinc/84/62/89/1076846289.db2.gz CAQFDXUKMMGVCL-UHFFFAOYSA-N 0 1 412.471 2.733 20 5 HFBDMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000787681180 1076909207 /nfs/dbraw/zinc/90/92/07/1076909207.db2.gz AAYISHHQLFLZIR-MRXNPFEDSA-N 0 1 402.495 2.520 20 5 HFBDMN CC(C)OCC[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000788065786 1077047967 /nfs/dbraw/zinc/04/79/67/1077047967.db2.gz FGAHWRFVUXBNDP-OAHLLOKOSA-N 0 1 405.417 2.912 20 5 HFBDMN CN(C)c1cc(F)c(C(=O)NC2CCN(Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000791205868 1077342647 /nfs/dbraw/zinc/34/26/47/1077342647.db2.gz RXWDXXYRWHUWDJ-UHFFFAOYSA-N 0 1 401.442 2.589 20 5 HFBDMN CN(C)c1cc(F)c(C(=O)Nc2cccc(CN3CCN(C)CC3)c2)cc1[N+](=O)[O-] ZINC000791207667 1077343923 /nfs/dbraw/zinc/34/39/23/1077343923.db2.gz BMOAKYMZNZCNDE-UHFFFAOYSA-N 0 1 415.469 2.800 20 5 HFBDMN Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)OC[C@@H](C)O)cc([N+](=O)[O-])c1C ZINC000791627855 1077519203 /nfs/dbraw/zinc/51/92/03/1077519203.db2.gz SYIQNEMSRNHAOB-GFCCVEGCSA-N 0 1 408.432 2.550 20 5 HFBDMN COc1ccc(C[C@H](C)N2CCC[C@H](Oc3nccc(OC)n3)C2)c([N+](=O)[O-])c1 ZINC001170355652 1077949215 /nfs/dbraw/zinc/94/92/15/1077949215.db2.gz NYNIVJHKZVPFQC-YOEHRIQHSA-N 0 1 402.451 2.876 20 5 HFBDMN CN1CCN(c2ccc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])cn2)CC1 ZINC000790493916 1078043363 /nfs/dbraw/zinc/04/33/63/1078043363.db2.gz CXEAAZDXTMKWSS-UHFFFAOYSA-N 0 1 407.833 2.715 20 5 HFBDMN CN(CCCN(C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccco1 ZINC000807413416 1080612502 /nfs/dbraw/zinc/61/25/02/1080612502.db2.gz NWESKCTVYBWBGC-UHFFFAOYSA-N 0 1 408.842 2.760 20 5 HFBDMN CC(C)Oc1nc(N2CCc3ncc(CN4CCCC4)n3CC2)ccc1[N+](=O)[O-] ZINC001164736977 720586535 /nfs/dbraw/zinc/58/65/35/720586535.db2.gz XBAFZCDMHAKWOW-UHFFFAOYSA-N 0 1 400.483 2.632 20 5 HFBDMN Cc1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164868379 721071881 /nfs/dbraw/zinc/07/18/81/721071881.db2.gz OFVZLANRIOSRSK-CVEARBPZSA-N 0 1 403.870 2.826 20 5 HFBDMN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164772632 721099766 /nfs/dbraw/zinc/09/97/66/721099766.db2.gz VJDGFNFWZCIUSA-QWHCGFSZSA-N 0 1 411.293 2.988 20 5 HFBDMN COc1cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)ncc1[N+](=O)[O-] ZINC001164962222 722054954 /nfs/dbraw/zinc/05/49/54/722054954.db2.gz BOEGOPJGYZUHFU-UHFFFAOYSA-N 0 1 413.478 2.512 20 5 HFBDMN O=[N+]([O-])c1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164980071 722100976 /nfs/dbraw/zinc/10/09/76/722100976.db2.gz JESYCAALRSHABX-MAUKXSAKSA-N 0 1 403.870 2.766 20 5 HFBDMN COc1nc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc(OC)c1[N+](=O)[O-] ZINC001164994833 722199828 /nfs/dbraw/zinc/19/98/28/722199828.db2.gz QAKBZHAALYCXFJ-HXUWFJFHSA-N 0 1 417.441 2.786 20 5 HFBDMN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000793872529 1078329226 /nfs/dbraw/zinc/32/92/26/1078329226.db2.gz CMAWQXZVWMXGAS-MRXNPFEDSA-N 0 1 410.390 2.654 20 5 HFBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2cc(Br)nn2C)cc1[N+](=O)[O-] ZINC000794057076 1078367073 /nfs/dbraw/zinc/36/70/73/1078367073.db2.gz DEAVCAGSPFCCKJ-UHFFFAOYSA-N 0 1 409.649 2.853 20 5 HFBDMN CCc1[nH]nc(C(=O)N2CCCC[C@H]2COC(=O)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000804654558 1078481955 /nfs/dbraw/zinc/48/19/55/1078481955.db2.gz SLKFTZJAQQAOBW-AWEZNQCLSA-N 0 1 407.471 2.744 20 5 HFBDMN C[C@H]1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000804922455 1078744402 /nfs/dbraw/zinc/74/44/02/1078744402.db2.gz RPIOEGSTDGMBJF-MJVIPROJSA-N 0 1 402.373 2.582 20 5 HFBDMN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000805111536 1078896507 /nfs/dbraw/zinc/89/65/07/1078896507.db2.gz XWWYERBBWKRYFF-YPMHNXCESA-N 0 1 418.313 2.605 20 5 HFBDMN CC[N@@H+](Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)C(C)C ZINC000805842105 1079320391 /nfs/dbraw/zinc/32/03/91/1079320391.db2.gz UXRGKTLDNAYZLU-UHFFFAOYSA-N 0 1 405.476 2.944 20 5 HFBDMN COC(=O)COc1ccc(CN[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1[N+](=O)[O-] ZINC000788960505 1077363744 /nfs/dbraw/zinc/36/37/44/1077363744.db2.gz OXUVFMNUQUIUCB-ZDUSSCGKSA-N 0 1 413.430 2.516 20 5 HFBDMN CCOc1cc(CN2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001170281069 1077936918 /nfs/dbraw/zinc/93/69/18/1077936918.db2.gz URNRFWQCOHJHOI-KBPBESRZSA-N 0 1 401.385 2.836 20 5 HFBDMN COc1ccc(S(C)(=O)=O)c(CN[C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170327197 1077944121 /nfs/dbraw/zinc/94/41/21/1077944121.db2.gz FOEMMIJNCKFGJP-ZDUSSCGKSA-N 0 1 408.476 2.736 20 5 HFBDMN COc1ccc(C[C@H](C)N(Cc2noc3c2CNCC3)c2ncccn2)c([N+](=O)[O-])c1 ZINC001170334784 1077946800 /nfs/dbraw/zinc/94/68/00/1077946800.db2.gz INSIFQKOOSCVHV-AWEZNQCLSA-N 0 1 424.461 2.665 20 5 HFBDMN COc1ccc(C[C@H](C)N2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001170336558 1077947637 /nfs/dbraw/zinc/94/76/37/1077947637.db2.gz ZIENAZYQJMLCAS-PAXLWEDBSA-N 0 1 410.474 2.805 20 5 HFBDMN COc1ccc(C[C@@H](C)N2CCC(n3nnc4ccccc4c3=O)CC2)c([N+](=O)[O-])c1 ZINC001170352792 1077948499 /nfs/dbraw/zinc/94/84/99/1077948499.db2.gz QKVJRZRTRJEQPS-OAHLLOKOSA-N 0 1 423.473 2.976 20 5 HFBDMN COc1ccc(C[C@@H](C)N2C[C@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c([N+](=O)[O-])c1 ZINC001170355472 1077948987 /nfs/dbraw/zinc/94/89/87/1077948987.db2.gz GHNDULUJFFDWAC-KDOFPFPSSA-N 0 1 421.494 2.760 20 5 HFBDMN COc1ccc(C[C@H](C)N2C[C@@H](OCC3CCOCC3)[C@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC001170341387 1077953438 /nfs/dbraw/zinc/95/34/38/1077953438.db2.gz QAKVQXLRBNLYIF-RGGPELTISA-N 0 1 420.506 2.677 20 5 HFBDMN COC(=O)c1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c([N+](=O)[O-])c1 ZINC000792662353 1077962938 /nfs/dbraw/zinc/96/29/38/1077962938.db2.gz SFNIARBKCLBJHE-UHFFFAOYSA-N 0 1 409.376 2.707 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000790385719 1078011314 /nfs/dbraw/zinc/01/13/14/1078011314.db2.gz WGGRSSYCCUOAJZ-UHFFFAOYSA-N 0 1 422.419 2.622 20 5 HFBDMN CC(=O)N(C)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000790394292 1078014488 /nfs/dbraw/zinc/01/44/88/1078014488.db2.gz QASKJJWRCFNGQW-UHFFFAOYSA-N 0 1 422.419 2.903 20 5 HFBDMN CC[C@@H](C)N[C@@H](CNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F)c1ccco1 ZINC000807311007 1080504321 /nfs/dbraw/zinc/50/43/21/1080504321.db2.gz XFELXELWBHGPFP-RISCZKNCSA-N 0 1 406.414 2.819 20 5 HFBDMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001165022055 721843450 /nfs/dbraw/zinc/84/34/50/721843450.db2.gz OJLFPGUBUSEHGZ-UHFFFAOYSA-N 0 1 401.467 2.690 20 5 HFBDMN O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164973946 722152876 /nfs/dbraw/zinc/15/28/76/722152876.db2.gz NOOVZROTYPFFQQ-XLIONFOSSA-N 0 1 420.473 2.660 20 5 HFBDMN O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cccc(-c2nnc[nH]2)c1 ZINC000793147245 1078090046 /nfs/dbraw/zinc/09/00/46/1078090046.db2.gz MVRSSYCAWYMQMC-INIZCTEOSA-N 0 1 421.413 2.842 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790825738 1078158135 /nfs/dbraw/zinc/15/81/35/1078158135.db2.gz AHNYDAWGAXVAJA-NEPJUHHUSA-N 0 1 414.484 2.519 20 5 HFBDMN CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CCN(CCC(F)(F)F)CC1 ZINC001129800094 1078476427 /nfs/dbraw/zinc/47/64/27/1078476427.db2.gz KHDNMIJIHMWBJL-UHFFFAOYSA-N 0 1 403.357 2.812 20 5 HFBDMN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000805765674 1079265901 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OUGGJTXQJVBXDO-RYUDHWBXSA-N 0 1 403.439 2.989 20 5 HFBDMN O=[N+]([O-])c1ccc([C@@H](O)CN(CCO)Cc2ccc(Br)s2)cc1 ZINC000792485351 1077878480 /nfs/dbraw/zinc/87/84/80/1077878480.db2.gz XVRCXVHVFIIPGM-AWEZNQCLSA-N 0 1 401.282 2.947 20 5 HFBDMN O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001130733567 1079973181 /nfs/dbraw/zinc/97/31/81/1079973181.db2.gz SZDYIMMCJMIVJI-UXHICEINSA-N 0 1 417.412 2.989 20 5 HFBDMN O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978379 722100982 /nfs/dbraw/zinc/10/09/82/722100982.db2.gz GTGYGWPLYDCWDK-CRAIPNDOSA-N 0 1 403.870 2.766 20 5 HFBDMN O=[N+]([O-])c1ccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cnc2c1 ZINC001164984295 722105782 /nfs/dbraw/zinc/10/57/82/722105782.db2.gz SCZREBIOCJGIAW-LAUBAEHRSA-N 0 1 420.473 2.660 20 5 HFBDMN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001263627410 939827894 /nfs/dbraw/zinc/82/78/94/939827894.db2.gz JLYIZPBETSKSIE-RYGYDFEPSA-N 0 1 409.442 2.844 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RZJDIWVMXHEMQV-UHFFFAOYSA-N 0 1 423.403 2.636 20 5 HFBDMN CN(C)C(=O)CN1CCC2(CCCN2c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001165011160 721736606 /nfs/dbraw/zinc/73/66/06/721736606.db2.gz OAHGYWHMOTWUJO-UHFFFAOYSA-N 0 1 416.309 2.820 20 5 HFBDMN O=[N+]([O-])c1cc(F)cnc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164958044 722053887 /nfs/dbraw/zinc/05/38/87/722053887.db2.gz AZFPRESJVYQMMA-UHFFFAOYSA-N 0 1 401.442 2.643 20 5 HFBDMN O=[N+]([O-])c1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164980076 722100994 /nfs/dbraw/zinc/10/09/94/722100994.db2.gz JESYCAALRSHABX-YJBOKZPZSA-N 0 1 403.870 2.766 20 5 HFBDMN O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984753 722101116 /nfs/dbraw/zinc/10/11/16/722101116.db2.gz UTKYKHLNOPGHTC-WBVHZDCISA-N 0 1 403.870 2.766 20 5 HFBDMN COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(Cc2ccccc2)CC1 ZINC000793289720 1078119200 /nfs/dbraw/zinc/11/92/00/1078119200.db2.gz SNLCRIOQUYEQJL-UHFFFAOYSA-N 0 1 422.489 2.822 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)N2CCCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000790826169 1078157792 /nfs/dbraw/zinc/15/77/92/1078157792.db2.gz IMQLXMSOEJAKKW-RYUDHWBXSA-N 0 1 414.484 2.661 20 5 HFBDMN O=C(Nc1cc(Cl)c(O)cc1F)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000805261187 1079001459 /nfs/dbraw/zinc/00/14/59/1079001459.db2.gz UDIFLPOPKFTTHI-UHFFFAOYSA-N 0 1 407.741 2.999 20 5 HFBDMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000746689759 1076859282 /nfs/dbraw/zinc/85/92/82/1076859282.db2.gz XLKUZXKEZXBEJY-UHFFFAOYSA-N 0 1 422.426 2.622 20 5 HFBDMN Cc1cc(C)c(N2CC[C@H](NS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000788953178 1077361120 /nfs/dbraw/zinc/36/11/20/1077361120.db2.gz TXAOJKCTIALACU-HNNXBMFYSA-N 0 1 421.450 2.743 20 5 HFBDMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])c(F)cc3N)cc2)C[C@H](C)O1 ZINC000791326481 1077375011 /nfs/dbraw/zinc/37/50/11/1077375011.db2.gz ZAJWGXVPJOSYFG-OKILXGFUSA-N 0 1 416.453 2.855 20 5 HFBDMN CC[NH+](CC)[C@H](C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000789482653 1077588186 /nfs/dbraw/zinc/58/81/86/1077588186.db2.gz LYARJZVTCUYSNO-SFHVURJKSA-N 0 1 405.476 2.791 20 5 HFBDMN CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)C1 ZINC000789902759 1077856399 /nfs/dbraw/zinc/85/63/99/1077856399.db2.gz ILROVRVJYHWYFD-CYBMUJFWSA-N 0 1 414.422 2.575 20 5 HFBDMN CCOc1cc(CN2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001170281072 1077936816 /nfs/dbraw/zinc/93/68/16/1077936816.db2.gz URNRFWQCOHJHOI-KGLIPLIRSA-N 0 1 401.385 2.836 20 5 HFBDMN COc1ccc(C[C@@H](C)N2CCC(Oc3nccc(OC)n3)CC2)c([N+](=O)[O-])c1 ZINC001170354323 1077948771 /nfs/dbraw/zinc/94/87/71/1077948771.db2.gz ITKVSRXIISYCTQ-CQSZACIVSA-N 0 1 402.451 2.876 20 5 HFBDMN COc1ccc(C[C@H](C)N2C[C@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c([N+](=O)[O-])c1 ZINC001170355473 1077948890 /nfs/dbraw/zinc/94/88/90/1077948890.db2.gz GHNDULUJFFDWAC-KSSFIOAISA-N 0 1 421.494 2.760 20 5 HFBDMN O=C(NCCCN1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C(F)(F)F ZINC000792892688 1078018491 /nfs/dbraw/zinc/01/84/91/1078018491.db2.gz RNHYRQLMDAWCBK-UHFFFAOYSA-N 0 1 410.190 2.784 20 5 HFBDMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(N(C)C)c1 ZINC000790410884 1078020394 /nfs/dbraw/zinc/02/03/94/1078020394.db2.gz VRAZZBQPEXWRSM-UHFFFAOYSA-N 0 1 413.839 2.902 20 5 HFBDMN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000807544347 1080759826 /nfs/dbraw/zinc/75/98/26/1080759826.db2.gz QARWMCHJRFGQAE-RHSMWYFYSA-N 0 1 414.437 2.760 20 5 HFBDMN Cc1cc([N+](=O)[O-])c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl ZINC001164866834 721073056 /nfs/dbraw/zinc/07/30/56/721073056.db2.gz GFZPKOVLPWBYJQ-CVEARBPZSA-N 0 1 403.870 2.826 20 5 HFBDMN Cc1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164887701 721399903 /nfs/dbraw/zinc/39/99/03/721399903.db2.gz MLRMWIDGCQIVNV-UZLBHIALSA-N 0 1 423.945 2.717 20 5 HFBDMN COc1cc(C)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164903356 721530349 /nfs/dbraw/zinc/53/03/49/721530349.db2.gz CDJWCKMTSKFNEE-WBVHZDCISA-N 0 1 402.426 2.788 20 5 HFBDMN Nc1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164906803 721711873 /nfs/dbraw/zinc/71/18/73/721711873.db2.gz OKVMWTPUHVFQIA-SFHVURJKSA-N 0 1 404.421 2.705 20 5 HFBDMN COc1cccc(OC)c1CN1CCC(N(C)c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC001165022750 721842167 /nfs/dbraw/zinc/84/21/67/721842167.db2.gz TXIXVGJTOMUCNT-UHFFFAOYSA-N 0 1 401.467 2.690 20 5 HFBDMN O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980618 722105070 /nfs/dbraw/zinc/10/50/70/722105070.db2.gz JRHBYUBGSOIGGS-YJBOKZPZSA-N 0 1 403.870 2.766 20 5 HFBDMN Cc1cn2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)ccc2[nH+]1 ZINC000790634517 1078070501 /nfs/dbraw/zinc/07/05/01/1078070501.db2.gz NPUMVOSQFCFTDJ-UHFFFAOYSA-N 0 1 405.392 2.877 20 5 HFBDMN CN(C)C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000794051430 1078366193 /nfs/dbraw/zinc/36/61/93/1078366193.db2.gz PUXHZUNXTDLQMW-HNNXBMFYSA-N 0 1 420.447 2.575 20 5 HFBDMN C[C@H]1[C@H](N2CCCC2)CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000804852814 1078721484 /nfs/dbraw/zinc/72/14/84/1078721484.db2.gz OEGYXJKZQSTIRZ-WCQYABFASA-N 0 1 407.414 2.951 20 5 HFBDMN COc1cc(OC)cc(N2CC[C@@H](N[C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2=O)c1 ZINC000788665129 1077259499 /nfs/dbraw/zinc/25/94/99/1077259499.db2.gz MVBKNGSDUHLEPX-KPZWWZAWSA-N 0 1 400.435 2.650 20 5 HFBDMN C[C@H](NCCNS(=O)(=O)c1ccc(Cl)cc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788813488 1077321308 /nfs/dbraw/zinc/32/13/08/1077321308.db2.gz IBGUYEWBBFAOSE-JTQLQIEISA-N 0 1 416.862 2.599 20 5 HFBDMN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)N1CCc2ccccc2C1 ZINC000791214326 1077346783 /nfs/dbraw/zinc/34/67/83/1077346783.db2.gz GOPLVYHFXOFCMM-CQSZACIVSA-N 0 1 400.454 2.977 20 5 HFBDMN COc1ccc(C[C@@H](C)N2CC[C@H](Oc3nc(C)cc(OC)n3)C2)c([N+](=O)[O-])c1 ZINC001170355626 1077949224 /nfs/dbraw/zinc/94/92/24/1077949224.db2.gz MXIRVWBXPVRFAK-PBHICJAKSA-N 0 1 402.451 2.795 20 5 HFBDMN Cc1c(CC[NH3+])c(=O)[n-]n1-c1nnc(-c2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC001170339973 1077952802 /nfs/dbraw/zinc/95/28/02/1077952802.db2.gz PITQYBAAMSBFQM-UHFFFAOYSA-N 0 1 408.340 2.772 20 5 HFBDMN COc1ccc(C[C@@H](C)N2CCC[C@H](OCC(=O)NC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170351379 1077956151 /nfs/dbraw/zinc/95/61/51/1077956151.db2.gz FPUFKAUCOCSYML-QAPCUYQASA-N 0 1 407.511 2.930 20 5 HFBDMN COC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C)c([N+](=O)[O-])c1 ZINC000792661331 1077962190 /nfs/dbraw/zinc/96/21/90/1077962190.db2.gz JGUOWHNLWNNTOL-UHFFFAOYSA-N 0 1 409.376 2.707 20 5 HFBDMN CC[C@H](C)N[C@H](CNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F)c1ccco1 ZINC000807311008 1080504532 /nfs/dbraw/zinc/50/45/32/1080504532.db2.gz XFELXELWBHGPFP-SMDDNHRTSA-N 0 1 406.414 2.819 20 5 HFBDMN CNS(=O)(=O)c1cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)ccc1O ZINC000807385506 1080581162 /nfs/dbraw/zinc/58/11/62/1080581162.db2.gz RHVBORLUHUGWDC-UHFFFAOYSA-N 0 1 423.450 2.547 20 5 HFBDMN CN(C)C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000807486733 1080670239 /nfs/dbraw/zinc/67/02/39/1080670239.db2.gz KWYWDNPOLAWIAN-OAHLLOKOSA-N 0 1 408.817 2.745 20 5 HFBDMN COc1ncnc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)c1[N+](=O)[O-] ZINC001164692071 719808592 /nfs/dbraw/zinc/80/85/92/719808592.db2.gz FOXLULZWUGJLFN-UHFFFAOYSA-N 0 1 404.496 2.793 20 5 HFBDMN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164863575 720981155 /nfs/dbraw/zinc/98/11/55/720981155.db2.gz WSKYYNYDAWAFGU-AWEZNQCLSA-N 0 1 416.482 2.784 20 5 HFBDMN Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164891913 721402404 /nfs/dbraw/zinc/40/24/04/721402404.db2.gz WNTWBZGXAPWUPM-OXJNMPFZSA-N 0 1 423.945 2.717 20 5 HFBDMN COc1cc(C)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164903354 721530395 /nfs/dbraw/zinc/53/03/95/721530395.db2.gz CDJWCKMTSKFNEE-NVXWUHKLSA-N 0 1 402.426 2.788 20 5 HFBDMN O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164973938 722152797 /nfs/dbraw/zinc/15/27/97/722152797.db2.gz NOOVZROTYPFFQQ-FXAWDEMLSA-N 0 1 420.473 2.660 20 5 HFBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC001170435599 1078213811 /nfs/dbraw/zinc/21/38/11/1078213811.db2.gz RDAJYTCYUIZRAV-BEFAXECRSA-N 0 1 413.478 2.552 20 5 HFBDMN CN(CCCN(C)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)Cc1ccco1 ZINC000804868753 1078692207 /nfs/dbraw/zinc/69/22/07/1078692207.db2.gz CZKFVOQFSMWAHS-LJQANCHMSA-N 0 1 400.435 2.661 20 5 HFBDMN COc1cc(OC)cc(N2CC[C@@H](N[C@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2=O)c1 ZINC000788665131 1077259477 /nfs/dbraw/zinc/25/94/77/1077259477.db2.gz MVBKNGSDUHLEPX-KZULUSFZSA-N 0 1 400.435 2.650 20 5 HFBDMN CCOC(=O)[C@@H]1[C@@H](NCc2cccc([N+](=O)[O-])c2C)CCN1C(=O)OC(C)(C)C ZINC000788778642 1077299019 /nfs/dbraw/zinc/29/90/19/1077299019.db2.gz TXAQXZIXIRBSRG-RDJZCZTQSA-N 0 1 407.467 2.934 20 5 HFBDMN CN(CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[C@@H]1CCSC1 ZINC000791243761 1077357038 /nfs/dbraw/zinc/35/70/38/1077357038.db2.gz DUKDCCUGPUTJFO-LLVKDONJSA-N 0 1 414.325 2.679 20 5 HFBDMN COc1ccc(NC(=O)[C@H](C)OC(=O)c2[nH]nc3c2CCCCC3)c([N+](=O)[O-])c1 ZINC000789173011 1077443459 /nfs/dbraw/zinc/44/34/59/1077443459.db2.gz ZTFWLVPPFBUTAQ-NSHDSACASA-N 0 1 402.407 2.779 20 5 HFBDMN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000772742135 1077708834 /nfs/dbraw/zinc/70/88/34/1077708834.db2.gz OUGGJTXQJVBXDO-NWDGAFQWSA-N 0 1 403.439 2.989 20 5 HFBDMN COc1ccc(C[C@@H](C)N2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c([N+](=O)[O-])c1 ZINC001170340861 1077953177 /nfs/dbraw/zinc/95/31/77/1077953177.db2.gz GWVRXNAWBHWSRI-XWIAVFTESA-N 0 1 416.503 2.980 20 5 HFBDMN COCCN1CCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])Cc2cccnc21 ZINC001170341522 1077953429 /nfs/dbraw/zinc/95/34/29/1077953429.db2.gz JUQPCUOEQXXISN-INIZCTEOSA-N 0 1 400.479 2.898 20 5 HFBDMN COCCN1CCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])Cc2cccnc21 ZINC001170341523 1077953472 /nfs/dbraw/zinc/95/34/72/1077953472.db2.gz JUQPCUOEQXXISN-MRXNPFEDSA-N 0 1 400.479 2.898 20 5 HFBDMN COc1ccc(C[C@H](C)N2CC[C@H]3O[C@H](C(=O)N4CCCC4)CC[C@H]32)c([N+](=O)[O-])c1 ZINC001170341952 1077953631 /nfs/dbraw/zinc/95/36/31/1077953631.db2.gz KYRGAWHRWCBLJJ-SKRQURTPSA-N 0 1 417.506 2.779 20 5 HFBDMN COc1ccc(C[C@@H](C)N2CCC[C@@H](OCC(=O)NC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170351377 1077956128 /nfs/dbraw/zinc/95/61/28/1077956128.db2.gz FPUFKAUCOCSYML-CRAIPNDOSA-N 0 1 407.511 2.930 20 5 HFBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3nccnc3c2)c(C)c1[N+](=O)[O-] ZINC000790394312 1078014821 /nfs/dbraw/zinc/01/48/21/1078014821.db2.gz PGUDKAXLJKFYOG-UHFFFAOYSA-N 0 1 403.376 2.864 20 5 HFBDMN COC(=O)c1ccc(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c(N(C)C)c1 ZINC000790408740 1078020104 /nfs/dbraw/zinc/02/01/04/1078020104.db2.gz IUYYUAQSQDBLHM-UHFFFAOYSA-N 0 1 411.411 2.696 20 5 HFBDMN Cc1[nH]ncc1C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 ZINC000790421565 1078022484 /nfs/dbraw/zinc/02/24/84/1078022484.db2.gz RLXLALIBMUAFJZ-UHFFFAOYSA-N 0 1 423.451 2.720 20 5 HFBDMN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)c1F ZINC000790440437 1078032376 /nfs/dbraw/zinc/03/23/76/1078032376.db2.gz YWBADTNWMAXFPD-LJQANCHMSA-N 0 1 400.454 2.761 20 5 HFBDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC001130589003 1079568472 /nfs/dbraw/zinc/56/84/72/1079568472.db2.gz CMMODFBVQPJFFX-GMTAPVOTSA-N 0 1 417.247 2.753 20 5 HFBDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC001130589410 1079569661 /nfs/dbraw/zinc/56/96/61/1079569661.db2.gz IURYXIOEHOUBFC-GMTAPVOTSA-N 0 1 417.247 2.753 20 5 HFBDMN