smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cccc2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nc21 ZINC001164736686 720685054 /nfs/dbraw/zinc/68/50/54/720685054.db2.gz AKPZASOTNVVSOL-JKSUJKDBSA-N 0 3 392.419 2.275 20 5 GEBDHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5ccc([N+](=O)[O-])cc54)C[C@H]3C2)cn1 ZINC001164766394 721115661 /nfs/dbraw/zinc/11/56/61/721115661.db2.gz KYWGFNSBEMYPIR-HZPDHXFCSA-N 0 3 393.451 2.230 20 5 GEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000190716911 532357610 /nfs/dbraw/zinc/35/76/10/532357610.db2.gz GONUBJAAVFYKDZ-LBPRGKRZSA-N 0 3 399.289 2.113 20 5 GEBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1sc(Br)cc1[N+](=O)[O-] ZINC000373113881 532433372 /nfs/dbraw/zinc/43/33/72/532433372.db2.gz WKAHFHHGYPANPF-BDAKNGLRSA-N 0 3 390.259 2.012 20 5 GEBDHN [NH3+]C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CCCC1 ZINC000194770034 532456657 /nfs/dbraw/zinc/45/66/57/532456657.db2.gz FBTPWFVBDQLWKC-GFCCVEGCSA-N 0 3 381.376 2.409 20 5 GEBDHN COc1cnccc1N1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000481042469 532665244 /nfs/dbraw/zinc/66/52/44/532665244.db2.gz SQTURQSEPSGMDQ-UHFFFAOYSA-N 0 3 394.229 2.483 20 5 GEBDHN C[C@@](CO)(NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)cc1 ZINC000285374241 532675920 /nfs/dbraw/zinc/67/59/20/532675920.db2.gz GFCJNJMJHHMUSV-INIZCTEOSA-N 0 3 396.241 2.016 20 5 GEBDHN CCN1CCN(C[C@@H](C)CNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267205953 532737412 /nfs/dbraw/zinc/73/74/12/532737412.db2.gz GRSISWNYIKNXDW-LBPRGKRZSA-N 0 3 386.294 2.438 20 5 GEBDHN CC1(C)C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420456812 532883819 /nfs/dbraw/zinc/88/38/19/532883819.db2.gz HDIADESIXFVOFA-LBPRGKRZSA-N 0 3 381.376 2.280 20 5 GEBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000290809631 532889734 /nfs/dbraw/zinc/88/97/34/532889734.db2.gz SDCPMSZUBPETAZ-GWCFXTLKSA-N 0 3 391.852 2.492 20 5 GEBDHN CCOCCC[N@@H+]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000736616298 599063671 /nfs/dbraw/zinc/06/36/71/599063671.db2.gz QVOOWXNZJVKMCI-DZGCQCFKSA-N 0 3 389.460 2.324 20 5 GEBDHN CCOCCC[N@H+]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000736616298 599063673 /nfs/dbraw/zinc/06/36/73/599063673.db2.gz QVOOWXNZJVKMCI-DZGCQCFKSA-N 0 3 389.460 2.324 20 5 GEBDHN CCOCCC[N@@H+]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000736616298 599063675 /nfs/dbraw/zinc/06/36/75/599063675.db2.gz QVOOWXNZJVKMCI-DZGCQCFKSA-N 0 3 389.460 2.324 20 5 GEBDHN CCOCCC[N@H+]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000736616298 599063677 /nfs/dbraw/zinc/06/36/77/599063677.db2.gz QVOOWXNZJVKMCI-DZGCQCFKSA-N 0 3 389.460 2.324 20 5 GEBDHN C[NH+](C)CCN(Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821585941 607114226 /nfs/dbraw/zinc/11/42/26/607114226.db2.gz BXMLKUAEQFCGLD-UHFFFAOYSA-N 0 3 385.403 2.482 20 5 GEBDHN C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824584854 608493404 /nfs/dbraw/zinc/49/34/04/608493404.db2.gz IJYOJKGHZKSNOS-GFCCVEGCSA-N 0 3 381.396 2.454 20 5 GEBDHN C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000824584854 608493405 /nfs/dbraw/zinc/49/34/05/608493405.db2.gz IJYOJKGHZKSNOS-GFCCVEGCSA-N 0 3 381.396 2.454 20 5 GEBDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000508531807 650481812 /nfs/dbraw/zinc/48/18/12/650481812.db2.gz ANSBNXPCLONDER-UHFFFAOYSA-N 0 3 396.245 2.284 20 5 GEBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1N(C)C ZINC000495728988 650827299 /nfs/dbraw/zinc/82/72/99/650827299.db2.gz PBBYZAZBKYZREL-STQMWFEESA-N 0 3 388.287 2.475 20 5 GEBDHN O=[N+]([O-])c1cnn(CCN2CCC(Cn3cc(Br)cn3)CC2)c1 ZINC000367788927 647746649 /nfs/dbraw/zinc/74/66/49/647746649.db2.gz AFOLPMCOPNVXFR-UHFFFAOYSA-N 0 3 383.250 2.163 20 5 GEBDHN Cc1c(Br)cc(S(=O)(=O)NC(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000416511995 648155144 /nfs/dbraw/zinc/15/51/44/648155144.db2.gz ZVTVHLKRDVAYBQ-UHFFFAOYSA-N 0 3 394.291 2.284 20 5 GEBDHN C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC[NH2+]C1 ZINC000440844226 648816289 /nfs/dbraw/zinc/81/62/89/648816289.db2.gz MYRLMDHPYFMMCV-CYBMUJFWSA-N 0 3 381.376 2.282 20 5 GEBDHN C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)CCN1C ZINC000719385449 651476029 /nfs/dbraw/zinc/47/60/29/651476029.db2.gz HCUURWVLRLGADB-PELKAZGASA-N 0 3 389.193 2.022 20 5 GEBDHN C[S@@](=O)CCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000572351680 651886778 /nfs/dbraw/zinc/88/67/78/651886778.db2.gz CDRQUBDTZFEPJH-GOSISDBHSA-N 0 3 382.223 2.058 20 5 GEBDHN CCCCN(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742296703 651975633 /nfs/dbraw/zinc/97/56/33/651975633.db2.gz ZSJNVPPKGCZKST-UHFFFAOYSA-N 0 3 394.291 2.368 20 5 GEBDHN CCCN(CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000747284866 652156348 /nfs/dbraw/zinc/15/63/48/652156348.db2.gz GXJPAKHHROFJLM-UHFFFAOYSA-N 0 3 394.291 2.368 20 5 GEBDHN [NH3+][C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000577849749 652222007 /nfs/dbraw/zinc/22/20/07/652222007.db2.gz DGHHKLAEIUNEDK-NXEZZACHSA-N 0 3 381.376 2.409 20 5 GEBDHN [NH3+][C@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000592391854 652593150 /nfs/dbraw/zinc/59/31/50/652593150.db2.gz OUXJEBYTDIULLJ-UWVGGRQHSA-N 0 3 392.275 2.153 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+]C23CCC3)c(C(F)(F)F)c1 ZINC000599098780 652849351 /nfs/dbraw/zinc/84/93/51/652849351.db2.gz ATTKZPVFVXUCTH-LBPRGKRZSA-N 0 3 379.360 2.177 20 5 GEBDHN C[C@H](CNCc1cc(Br)c([N+](=O)[O-])s1)CN1CCOCC1 ZINC000602549808 653190838 /nfs/dbraw/zinc/19/08/38/653190838.db2.gz FITIYBABGOWEPP-SNVBAGLBSA-N 0 3 378.292 2.477 20 5 GEBDHN Cn1cc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)c([N+](=O)[O-])n1 ZINC000602916269 653214725 /nfs/dbraw/zinc/21/47/25/653214725.db2.gz NHVHZVCKSTVWDX-INIZCTEOSA-N 0 3 395.257 2.100 20 5 GEBDHN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813105341 653462827 /nfs/dbraw/zinc/46/28/27/653462827.db2.gz LYTIVUFNTUHBOR-SNVBAGLBSA-N 0 3 378.834 2.193 20 5 GEBDHN CC(COC(=O)c1sccc1S(=O)(=O)NCc1cccs1)[N+](=O)[O-] ZINC000813110879 653462909 /nfs/dbraw/zinc/46/29/09/653462909.db2.gz LILQKMSVRWFHMX-VIFPVBQESA-N 0 3 390.464 2.110 20 5 GEBDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815014113 653643701 /nfs/dbraw/zinc/64/37/01/653643701.db2.gz WQRWAYFFUMGFKD-SNVBAGLBSA-N 0 3 379.841 2.350 20 5 GEBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000784723079 653699014 /nfs/dbraw/zinc/69/90/14/653699014.db2.gz RFFQEZUPUUSHOK-JTQLQIEISA-N 0 3 394.291 2.366 20 5 GEBDHN CC(COC(=O)CCCS(=O)(=O)c1cccc(Br)c1)[N+](=O)[O-] ZINC000821167666 653791987 /nfs/dbraw/zinc/79/19/87/653791987.db2.gz VQLVTBGNKQXNTI-JTQLQIEISA-N 0 3 394.243 2.211 20 5 GEBDHN CS[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000790903749 653800354 /nfs/dbraw/zinc/80/03/54/653800354.db2.gz AFLQLBTXGYWVSD-ZIAGYGMSSA-N 0 3 375.853 2.434 20 5 GEBDHN CCN1CCCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000822569609 653831839 /nfs/dbraw/zinc/83/18/39/653831839.db2.gz UVZRRYNQLNFLRV-SNVBAGLBSA-N 0 3 385.262 2.496 20 5 GEBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000867307959 653912654 /nfs/dbraw/zinc/91/26/54/653912654.db2.gz FFGSOTATFKYYJT-SKDRFNHKSA-N 0 3 392.275 2.070 20 5 GEBDHN O=C1Nc2ncc(Br)cc2C[C@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000897977438 653946953 /nfs/dbraw/zinc/94/69/53/653946953.db2.gz HFLDKRBSCPYBMX-CQSZACIVSA-N 0 3 391.225 2.448 20 5 GEBDHN CN(CC(=O)N1CCNC(C)(C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796925635 654013323 /nfs/dbraw/zinc/01/33/23/654013323.db2.gz KTIYRBGGIIFQDQ-UHFFFAOYSA-N 0 3 385.262 2.004 20 5 GEBDHN C[C@H](NCCn1cc(Br)ccc1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834839779 654352517 /nfs/dbraw/zinc/35/25/17/654352517.db2.gz CWYZTJVQXKQBIV-JTQLQIEISA-N 0 3 381.230 2.452 20 5 GEBDHN C[C@]1(Br)C[C@@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000893563841 654408447 /nfs/dbraw/zinc/40/84/47/654408447.db2.gz ULHGLCQOFHNZJY-MFKMUULPSA-N 0 3 377.260 2.132 20 5 GEBDHN O=[N+]([O-])c1cnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c2ccccc21 ZINC001164744344 720683070 /nfs/dbraw/zinc/68/30/70/720683070.db2.gz ZKUVMXKMKJJKFK-GJZGRUSLSA-N 0 3 392.419 2.275 20 5 GEBDHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5cc([N+](=O)[O-])ccc54)C[C@@H]3C2)cn1 ZINC001164773738 721118086 /nfs/dbraw/zinc/11/80/86/721118086.db2.gz YVLOBFFTCLBYMS-HOTGVXAUSA-N 0 3 393.451 2.230 20 5 GEBDHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5cc([N+](=O)[O-])ccc54)C[C@H]3C2)cn1 ZINC001164773747 721118708 /nfs/dbraw/zinc/11/87/08/721118708.db2.gz YVLOBFFTCLBYMS-JKSUJKDBSA-N 0 3 393.451 2.230 20 5 GEBDHN Cc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164977277 722101374 /nfs/dbraw/zinc/10/13/74/722101374.db2.gz FQBUPWSUFYULQE-IEBWSBKVSA-N 0 3 383.452 2.421 20 5 GEBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000163351676 531856900 /nfs/dbraw/zinc/85/69/00/531856900.db2.gz MPRKSEHIDJKIPF-NSHDSACASA-N 0 3 381.376 2.328 20 5 GEBDHN CN(C[C@@H]1CCN(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163311625 531857882 /nfs/dbraw/zinc/85/78/82/531857882.db2.gz VYSRJPLBEMHMMV-SNVBAGLBSA-N 0 3 381.376 2.186 20 5 GEBDHN O=C(COc1ccc([N+](=O)[O-])cc1Br)NC1CCN(C2CC2)CC1 ZINC000133688315 532240579 /nfs/dbraw/zinc/24/05/79/532240579.db2.gz OTZJNBPFRPVPNK-UHFFFAOYSA-N 0 3 398.257 2.479 20 5 GEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000184293132 532331669 /nfs/dbraw/zinc/33/16/69/532331669.db2.gz WYIVOFPBZVQMDD-GFCCVEGCSA-N 0 3 399.289 2.113 20 5 GEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000190716928 532357641 /nfs/dbraw/zinc/35/76/41/532357641.db2.gz GONUBJAAVFYKDZ-GFCCVEGCSA-N 0 3 399.289 2.113 20 5 GEBDHN CC(C)(CCC[NH3+])[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431044649 532505230 /nfs/dbraw/zinc/50/52/30/532505230.db2.gz JOVWBQJMRCNEIN-UHFFFAOYSA-N 0 3 380.264 2.153 20 5 GEBDHN CN1C[C@@H]2CN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)C[C@@H]2C1 ZINC000296482129 532524634 /nfs/dbraw/zinc/52/46/34/532524634.db2.gz YKDDNXXIYFMRJL-DTORHVGOSA-N 0 3 380.253 2.084 20 5 GEBDHN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCCN2CCC[C@H]2C1 ZINC000376598780 532620647 /nfs/dbraw/zinc/62/06/47/532620647.db2.gz FRRQMNOVLVGNAN-NSHDSACASA-N 0 3 375.397 2.266 20 5 GEBDHN CN(C)CCn1nccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000297926589 532613341 /nfs/dbraw/zinc/61/33/41/532613341.db2.gz YQPHYWWBZWXAPL-UHFFFAOYSA-N 0 3 382.218 2.368 20 5 GEBDHN CN(C)CCn1cc(NC(=O)c2c(Br)cccc2[N+](=O)[O-])cn1 ZINC000599244504 532655510 /nfs/dbraw/zinc/65/55/10/532655510.db2.gz KLZIRHWGDLQEFF-UHFFFAOYSA-N 0 3 382.218 2.368 20 5 GEBDHN CC(C)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000438667776 532675345 /nfs/dbraw/zinc/67/53/45/532675345.db2.gz LTHFIQHRKUTAKJ-AWEZNQCLSA-N 0 3 383.246 2.440 20 5 GEBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000378290794 532689428 /nfs/dbraw/zinc/68/94/28/532689428.db2.gz YRUPCXFQMQXAQZ-RYUDHWBXSA-N 0 3 399.245 2.342 20 5 GEBDHN C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000440345495 532710089 /nfs/dbraw/zinc/71/00/89/532710089.db2.gz YXMGVAQLCLIQQN-ZJUUUORDSA-N 0 3 392.275 2.024 20 5 GEBDHN C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC[NH2+]C1 ZINC000440858610 532723780 /nfs/dbraw/zinc/72/37/80/532723780.db2.gz LGSHIXOPIYBCEZ-ZDUSSCGKSA-N 0 3 392.275 2.025 20 5 GEBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610913168 532719227 /nfs/dbraw/zinc/71/92/27/532719227.db2.gz GCCSQNQBSQQULE-CYBMUJFWSA-N 0 3 398.257 2.340 20 5 GEBDHN O=C(CN1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301405718 532751470 /nfs/dbraw/zinc/75/14/70/532751470.db2.gz LPJDDBNMRSVGEK-UHFFFAOYSA-N 0 3 397.273 2.102 20 5 GEBDHN CN(C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000457199263 532788894 /nfs/dbraw/zinc/78/88/94/532788894.db2.gz CCKCUCLBPOOJOY-UHFFFAOYSA-N 0 3 391.209 2.269 20 5 GEBDHN C[C@@H](CC[S@](C)=O)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289472130 532855659 /nfs/dbraw/zinc/85/56/59/532855659.db2.gz JDCHNFTYFQTOHL-UGZDLDLSSA-N 0 3 396.250 2.446 20 5 GEBDHN CN(CCN(C)C1CC1)c1c(I)cncc1[N+](=O)[O-] ZINC000418924444 532881605 /nfs/dbraw/zinc/88/16/05/532881605.db2.gz OJHWNMDJQVGRNE-UHFFFAOYSA-N 0 3 376.198 2.125 20 5 GEBDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000290809635 532890009 /nfs/dbraw/zinc/89/00/09/532890009.db2.gz SDCPMSZUBPETAZ-GXFFZTMASA-N 0 3 391.852 2.492 20 5 GEBDHN CCOCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000736617624 599063706 /nfs/dbraw/zinc/06/37/06/599063706.db2.gz ZIACQLIVPBHBKW-XJKSGUPXSA-N 0 3 389.460 2.324 20 5 GEBDHN CCOCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000736617624 599063708 /nfs/dbraw/zinc/06/37/08/599063708.db2.gz ZIACQLIVPBHBKW-XJKSGUPXSA-N 0 3 389.460 2.324 20 5 GEBDHN CCOCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000736617624 599063711 /nfs/dbraw/zinc/06/37/11/599063711.db2.gz ZIACQLIVPBHBKW-XJKSGUPXSA-N 0 3 389.460 2.324 20 5 GEBDHN CCOCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000736617624 599063714 /nfs/dbraw/zinc/06/37/14/599063714.db2.gz ZIACQLIVPBHBKW-XJKSGUPXSA-N 0 3 389.460 2.324 20 5 GEBDHN O=[N+]([O-])c1cnc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c(-c2nnn[n-]2)c1 ZINC000823651444 599277633 /nfs/dbraw/zinc/27/76/33/599277633.db2.gz JSVKAASPCYDLII-MRXNPFEDSA-N 0 3 380.412 2.419 20 5 GEBDHN O=[N+]([O-])c1cnc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c(-c2nn[n-]n2)c1 ZINC000823651444 599277634 /nfs/dbraw/zinc/27/76/34/599277634.db2.gz JSVKAASPCYDLII-MRXNPFEDSA-N 0 3 380.412 2.419 20 5 GEBDHN C[C@@H]1CCC[N@H+](CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820711340 606453595 /nfs/dbraw/zinc/45/35/95/606453595.db2.gz WRWZZUMAFRHISX-GFCCVEGCSA-N 0 3 382.428 2.467 20 5 GEBDHN C[C@@H]1CCC[N@@H+](CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820711340 606453596 /nfs/dbraw/zinc/45/35/96/606453596.db2.gz WRWZZUMAFRHISX-GFCCVEGCSA-N 0 3 382.428 2.467 20 5 GEBDHN C[C@@H]1CCC[N@H+](CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820711340 606453597 /nfs/dbraw/zinc/45/35/97/606453597.db2.gz WRWZZUMAFRHISX-GFCCVEGCSA-N 0 3 382.428 2.467 20 5 GEBDHN C[C@@H]1CCC[N@@H+](CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820711340 606453598 /nfs/dbraw/zinc/45/35/98/606453598.db2.gz WRWZZUMAFRHISX-GFCCVEGCSA-N 0 3 382.428 2.467 20 5 GEBDHN CC[N@@H+]1C[C@H](C)N(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000825450555 608232023 /nfs/dbraw/zinc/23/20/23/608232023.db2.gz AUXCDNVBQOAQRT-NEPJUHHUSA-N 0 3 382.428 2.242 20 5 GEBDHN CC[N@H+]1C[C@H](C)N(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000825450555 608232024 /nfs/dbraw/zinc/23/20/24/608232024.db2.gz AUXCDNVBQOAQRT-NEPJUHHUSA-N 0 3 382.428 2.242 20 5 GEBDHN CC[N@@H+]1C[C@H](C)N(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000825450555 608232026 /nfs/dbraw/zinc/23/20/26/608232026.db2.gz AUXCDNVBQOAQRT-NEPJUHHUSA-N 0 3 382.428 2.242 20 5 GEBDHN CC[N@H+]1C[C@H](C)N(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000825450555 608232028 /nfs/dbraw/zinc/23/20/28/608232028.db2.gz AUXCDNVBQOAQRT-NEPJUHHUSA-N 0 3 382.428 2.242 20 5 GEBDHN CC[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825139298 608552064 /nfs/dbraw/zinc/55/20/64/608552064.db2.gz DNBFVTDLBLQKLE-FUHWJXTLSA-N 0 3 398.423 2.256 20 5 GEBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447013724 649994329 /nfs/dbraw/zinc/99/43/29/649994329.db2.gz QKTWSLODKQLQLG-JTQLQIEISA-N 0 3 394.291 2.366 20 5 GEBDHN C[C@@H](Cn1cccn1)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000501260627 650388584 /nfs/dbraw/zinc/38/85/84/650388584.db2.gz FODGTACTAVYSTN-JTQLQIEISA-N 0 3 382.218 2.171 20 5 GEBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000480591067 650625328 /nfs/dbraw/zinc/62/53/28/650625328.db2.gz GWEWVRWZYXHIKP-SNVBAGLBSA-N 0 3 394.291 2.366 20 5 GEBDHN C[C@@]1(CO)CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000493412667 650793693 /nfs/dbraw/zinc/79/36/93/650793693.db2.gz NLQOFLMAVUBGOX-HIFRSBDPSA-N 0 3 386.246 2.437 20 5 GEBDHN O=C(CN[C@@H]1CCO[C@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000494438080 650808321 /nfs/dbraw/zinc/80/83/21/650808321.db2.gz QDAPRJNVWOHAMX-HIFRSBDPSA-N 0 3 384.230 2.453 20 5 GEBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000158131729 644140456 /nfs/dbraw/zinc/14/04/56/644140456.db2.gz WCEGKPYNPQCTRC-SNVBAGLBSA-N 0 3 394.291 2.366 20 5 GEBDHN COCCN1CC[C@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000269959514 646076645 /nfs/dbraw/zinc/07/66/45/646076645.db2.gz IOWKJSOJFXWEMM-NSHDSACASA-N 0 3 387.234 2.200 20 5 GEBDHN CN1CCN(C[C@@H]2CCCN(c3c(Br)cncc3[N+](=O)[O-])C2)CC1 ZINC000367341831 647730781 /nfs/dbraw/zinc/73/07/81/647730781.db2.gz HRGFFKPXUVHSAQ-ZDUSSCGKSA-N 0 3 398.305 2.216 20 5 GEBDHN CC1(C)[C@H](O)C[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000558490823 651280705 /nfs/dbraw/zinc/28/07/05/651280705.db2.gz IJMNCFJSFKJPNP-VXGBXAGGSA-N 0 3 376.194 2.448 20 5 GEBDHN CC[C@@H](C)[N@H+](C)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609158351 651611697 /nfs/dbraw/zinc/61/16/97/651611697.db2.gz VAXFMNVZQDFAPP-SNVBAGLBSA-N 0 3 394.291 2.366 20 5 GEBDHN CC[C@@H](C)[N@@H+](C)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609158351 651611700 /nfs/dbraw/zinc/61/17/00/651611700.db2.gz VAXFMNVZQDFAPP-SNVBAGLBSA-N 0 3 394.291 2.366 20 5 GEBDHN CS(=O)(=O)N1CC[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000582969304 652469198 /nfs/dbraw/zinc/46/91/98/652469198.db2.gz XVAFLVVOANTMMG-LBPRGKRZSA-N 0 3 381.479 2.447 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000757675986 652520318 /nfs/dbraw/zinc/52/03/18/652520318.db2.gz QCNPSCBVLUJWCB-RBSFLKMASA-N 0 3 388.536 2.338 20 5 GEBDHN CS[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000599721712 652885741 /nfs/dbraw/zinc/88/57/41/652885741.db2.gz QEFRMWRCOHZLDM-NWDGAFQWSA-N 0 3 388.287 2.475 20 5 GEBDHN CC(COC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813100093 653462084 /nfs/dbraw/zinc/46/20/84/653462084.db2.gz MEXLQVWASSIRIM-MRVPVSSYSA-N 0 3 376.163 2.002 20 5 GEBDHN CC(COC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)[N+](=O)[O-] ZINC000813108290 653463059 /nfs/dbraw/zinc/46/30/59/653463059.db2.gz XFRNTGUDCWEJTG-NSHDSACASA-N 0 3 384.435 2.049 20 5 GEBDHN CC(COC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1)[N+](=O)[O-] ZINC000813113560 653463361 /nfs/dbraw/zinc/46/33/61/653463361.db2.gz RPRFDNHSNYUQPC-GXFFZTMASA-N 0 3 385.214 2.149 20 5 GEBDHN COc1ncc(Br)cc1CNC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877654029 653615199 /nfs/dbraw/zinc/61/51/99/653615199.db2.gz JSXUDEXAPYWMBK-UHFFFAOYSA-N 0 3 382.218 2.451 20 5 GEBDHN CCN(CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(C)C ZINC000780854884 653633693 /nfs/dbraw/zinc/63/36/93/653633693.db2.gz BBNVGMGKKMHJET-UHFFFAOYSA-N 0 3 394.291 2.366 20 5 GEBDHN C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000842699121 653763407 /nfs/dbraw/zinc/76/34/07/653763407.db2.gz ISBBQGOLQLXZBK-NXEZZACHSA-N 0 3 392.275 2.024 20 5 GEBDHN CCN(CC)CC(=O)N1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000820651580 653779566 /nfs/dbraw/zinc/77/95/66/653779566.db2.gz HSIVBACCZMCKTM-UHFFFAOYSA-N 0 3 399.289 2.348 20 5 GEBDHN CC1(C)CCNCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000866803526 653828941 /nfs/dbraw/zinc/82/89/41/653828941.db2.gz GWIHJCGEWBJVPJ-UHFFFAOYSA-N 0 3 392.275 2.120 20 5 GEBDHN CC1(C)CCNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000866804233 653829219 /nfs/dbraw/zinc/82/92/19/653829219.db2.gz RWFCERLPNGVFFI-UHFFFAOYSA-N 0 3 392.275 2.120 20 5 GEBDHN O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000795199030 653938453 /nfs/dbraw/zinc/93/84/53/653938453.db2.gz BVUGMCHCZLEMHR-AWEZNQCLSA-N 0 3 381.479 2.457 20 5 GEBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc([N+](=O)[O-])ncc1Br ZINC000848352537 653971746 /nfs/dbraw/zinc/97/17/46/653971746.db2.gz QOCLOFDDSPCVEF-OLZOCXBDSA-N 0 3 383.246 2.499 20 5 GEBDHN CCN1CCCN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000796277966 653994823 /nfs/dbraw/zinc/99/48/23/653994823.db2.gz KDNQXEOQHLYYCC-UHFFFAOYSA-N 0 3 399.289 2.348 20 5 GEBDHN CN(CC(=O)N(C)[C@H]1CCCN(C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796638678 654002975 /nfs/dbraw/zinc/00/29/75/654002975.db2.gz FGKNXXMIHGCTNJ-ZDUSSCGKSA-N 0 3 399.289 2.346 20 5 GEBDHN O=C1CC[C@H](N2CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)CCN1 ZINC000829352677 654065468 /nfs/dbraw/zinc/06/54/68/654065468.db2.gz YXEDKIZBIGEKQW-ZDUSSCGKSA-N 0 3 397.273 2.148 20 5 GEBDHN O=[N+]([O-])c1cccc2nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)ccc21 ZINC001164736704 720690257 /nfs/dbraw/zinc/69/02/57/720690257.db2.gz AMZKWIUGPZGYTK-HUUCEWRRSA-N 0 3 392.419 2.275 20 5 GEBDHN CCOc1nc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164773406 721171755 /nfs/dbraw/zinc/17/17/55/721171755.db2.gz XDIPUFKNCWMKDH-CVEARBPZSA-N 0 3 386.456 2.080 20 5 GEBDHN Cc1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164977279 722101175 /nfs/dbraw/zinc/10/11/75/722101175.db2.gz FQBUPWSUFYULQE-PKOBYXMFSA-N 0 3 383.452 2.421 20 5 GEBDHN COc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164976646 722111266 /nfs/dbraw/zinc/11/12/66/722111266.db2.gz LZWLUIBWPATPRZ-LPHOPBHVSA-N 0 3 399.451 2.121 20 5 GEBDHN CCN1CCN([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000122415866 532068392 /nfs/dbraw/zinc/06/83/92/532068392.db2.gz HNTVLXKTCWLHAM-LBPRGKRZSA-N 0 3 399.289 2.113 20 5 GEBDHN CCN1CCN([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000122416128 532068878 /nfs/dbraw/zinc/06/88/78/532068878.db2.gz HNTVLXKTCWLHAM-GFCCVEGCSA-N 0 3 399.289 2.113 20 5 GEBDHN COCCN1CCC[C@@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177108133 532161953 /nfs/dbraw/zinc/16/19/53/532161953.db2.gz OSTYKLAFLCXCRP-GFCCVEGCSA-N 0 3 386.246 2.198 20 5 GEBDHN CN1CC[C@@H](Cn2nnnc2Sc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000131959799 532207510 /nfs/dbraw/zinc/20/75/10/532207510.db2.gz FCSIACRXTFVBQE-SECBINFHSA-N 0 3 399.274 2.447 20 5 GEBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000590590148 532378173 /nfs/dbraw/zinc/37/81/73/532378173.db2.gz TZEYDUIOYDZEJM-ONGXEEELSA-N 0 3 392.275 2.070 20 5 GEBDHN COCCOC[C@@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000516269398 532385091 /nfs/dbraw/zinc/38/50/91/532385091.db2.gz WORLBUQERGMILT-SNVBAGLBSA-N 0 3 394.209 2.341 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](c2cncc(Br)c2)C2CC2)c1 ZINC000284879262 532629030 /nfs/dbraw/zinc/62/90/30/532629030.db2.gz SWMHERJKQLUOFB-CABCVRRESA-N 0 3 396.245 2.051 20 5 GEBDHN [NH3+][C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000567862119 532666899 /nfs/dbraw/zinc/66/68/99/532666899.db2.gz NAEYOPSHOSJHOP-GXSJLCMTSA-N 0 3 392.275 2.153 20 5 GEBDHN CN1CCN(CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1(C)C ZINC000599900767 532670328 /nfs/dbraw/zinc/67/03/28/532670328.db2.gz PGENOPIOBNUGRT-UHFFFAOYSA-N 0 3 399.289 2.113 20 5 GEBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1F ZINC000285539186 532688445 /nfs/dbraw/zinc/68/84/45/532688445.db2.gz FWSYUXNWWBTJKB-CABZTGNLSA-N 0 3 387.209 2.405 20 5 GEBDHN C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC[NH2+]C1 ZINC000440345712 532710715 /nfs/dbraw/zinc/71/07/15/532710715.db2.gz SLGQEECTDVDQKF-UWVGGRQHSA-N 0 3 392.275 2.024 20 5 GEBDHN [NH3+]C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440411402 532713756 /nfs/dbraw/zinc/71/37/56/532713756.db2.gz ZNFOBOJLBSJBER-BXKDBHETSA-N 0 3 392.275 2.153 20 5 GEBDHN CC1(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000440866414 532724824 /nfs/dbraw/zinc/72/48/24/532724824.db2.gz ZBDVTXJDJKAJTM-UHFFFAOYSA-N 0 3 392.275 2.025 20 5 GEBDHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446939740 532756632 /nfs/dbraw/zinc/75/66/32/532756632.db2.gz BJJDCHVRJOTSDR-UHFFFAOYSA-N 0 3 394.291 2.368 20 5 GEBDHN O=[N+]([O-])c1cnn(CCNC[C@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000582780988 532762212 /nfs/dbraw/zinc/76/22/12/532762212.db2.gz NVCMOFJFNXRUQH-NSHDSACASA-N 0 3 375.212 2.128 20 5 GEBDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000290809642 532890091 /nfs/dbraw/zinc/89/00/91/532890091.db2.gz SDCPMSZUBPETAZ-ZWNOBZJWSA-N 0 3 391.852 2.492 20 5 GEBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000290738498 532888395 /nfs/dbraw/zinc/88/83/95/532888395.db2.gz LUNJQMBZWBFBOH-GWCFXTLKSA-N 0 3 391.852 2.492 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC23CC[NH2+]CC3)c(C(F)(F)F)c1 ZINC000367833018 532927770 /nfs/dbraw/zinc/92/77/70/532927770.db2.gz QKHVCJNFJUFRBX-GFCCVEGCSA-N 0 3 379.360 2.034 20 5 GEBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000370467627 532943604 /nfs/dbraw/zinc/94/36/04/532943604.db2.gz DESJKFCZEFWFSI-ZDUSSCGKSA-N 0 3 387.889 2.302 20 5 GEBDHN C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821614509 599081016 /nfs/dbraw/zinc/08/10/16/599081016.db2.gz JCFZIVRTXFXDRJ-INIZCTEOSA-N 0 3 379.424 2.486 20 5 GEBDHN C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821614509 599081019 /nfs/dbraw/zinc/08/10/19/599081019.db2.gz JCFZIVRTXFXDRJ-INIZCTEOSA-N 0 3 379.424 2.486 20 5 GEBDHN C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821614509 599081023 /nfs/dbraw/zinc/08/10/23/599081023.db2.gz JCFZIVRTXFXDRJ-INIZCTEOSA-N 0 3 379.424 2.486 20 5 GEBDHN C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821614509 599081025 /nfs/dbraw/zinc/08/10/25/599081025.db2.gz JCFZIVRTXFXDRJ-INIZCTEOSA-N 0 3 379.424 2.486 20 5 GEBDHN C[NH+](C)C1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000821581309 599581342 /nfs/dbraw/zinc/58/13/42/599581342.db2.gz IJHDMALIWVCOAC-UHFFFAOYSA-N 0 3 379.424 2.286 20 5 GEBDHN C[NH+](C)C1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000821581309 599581347 /nfs/dbraw/zinc/58/13/47/599581347.db2.gz IJHDMALIWVCOAC-UHFFFAOYSA-N 0 3 379.424 2.286 20 5 GEBDHN CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821619480 606789074 /nfs/dbraw/zinc/78/90/74/606789074.db2.gz YUVZBTSBYUUPDM-INIZCTEOSA-N 0 3 379.424 2.486 20 5 GEBDHN CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821619480 606789076 /nfs/dbraw/zinc/78/90/76/606789076.db2.gz YUVZBTSBYUUPDM-INIZCTEOSA-N 0 3 379.424 2.486 20 5 GEBDHN CC(C)[N@@H+]1CC[C@@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820129307 606797599 /nfs/dbraw/zinc/79/75/99/606797599.db2.gz YOOYMPVJAXWHKE-LBPRGKRZSA-N 0 3 382.428 2.465 20 5 GEBDHN CC(C)[N@H+]1CC[C@@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820129307 606797601 /nfs/dbraw/zinc/79/76/01/606797601.db2.gz YOOYMPVJAXWHKE-LBPRGKRZSA-N 0 3 382.428 2.465 20 5 GEBDHN CC(C)[N@@H+]1CC[C@@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820129307 606797603 /nfs/dbraw/zinc/79/76/03/606797603.db2.gz YOOYMPVJAXWHKE-LBPRGKRZSA-N 0 3 382.428 2.465 20 5 GEBDHN CC(C)[N@H+]1CC[C@@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820129307 606797605 /nfs/dbraw/zinc/79/76/05/606797605.db2.gz YOOYMPVJAXWHKE-LBPRGKRZSA-N 0 3 382.428 2.465 20 5 GEBDHN CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428316 608061214 /nfs/dbraw/zinc/06/12/14/608061214.db2.gz JHICEPISDJHAIM-ZDUSSCGKSA-N 0 3 383.412 2.020 20 5 GEBDHN CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428316 608061215 /nfs/dbraw/zinc/06/12/15/608061215.db2.gz JHICEPISDJHAIM-ZDUSSCGKSA-N 0 3 383.412 2.020 20 5 GEBDHN C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824586072 608484929 /nfs/dbraw/zinc/48/49/29/608484929.db2.gz XBGRQWVPFJTQAD-LBPRGKRZSA-N 0 3 381.396 2.454 20 5 GEBDHN C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824586072 608484931 /nfs/dbraw/zinc/48/49/31/608484931.db2.gz XBGRQWVPFJTQAD-LBPRGKRZSA-N 0 3 381.396 2.454 20 5 GEBDHN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCCCN2CCCC2)c1 ZINC000066569193 642921376 /nfs/dbraw/zinc/92/13/76/642921376.db2.gz PLNQGQOCCZLYQX-UHFFFAOYSA-N 0 3 392.275 2.122 20 5 GEBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1N(C)C ZINC000495728983 650827190 /nfs/dbraw/zinc/82/71/90/650827190.db2.gz PBBYZAZBKYZREL-OLZOCXBDSA-N 0 3 388.287 2.475 20 5 GEBDHN CN1CCN(CCCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000161900996 644224510 /nfs/dbraw/zinc/22/45/10/644224510.db2.gz TVQJGTAEMMPDMN-UHFFFAOYSA-N 0 3 399.289 2.115 20 5 GEBDHN COCCN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000180548871 644506283 /nfs/dbraw/zinc/50/62/83/644506283.db2.gz KLOVQZXYLBHTQX-UHFFFAOYSA-N 0 3 386.246 2.198 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C(F)(F)F)c1 ZINC000237796261 645441919 /nfs/dbraw/zinc/44/19/19/645441919.db2.gz BPBAANAHLFXHIK-ULKQDVFKSA-N 0 3 379.360 2.175 20 5 GEBDHN CC(C)(C)[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000420464506 648418296 /nfs/dbraw/zinc/41/82/96/648418296.db2.gz PFCOOKPYHQGVNI-LLVKDONJSA-N 0 3 380.264 2.009 20 5 GEBDHN CN(Cc1cc(Br)cs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438832325 648806010 /nfs/dbraw/zinc/80/60/10/648806010.db2.gz UKOFKEDWNARWSH-LLVKDONJSA-N 0 3 375.248 2.108 20 5 GEBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000555874767 651231939 /nfs/dbraw/zinc/23/19/39/651231939.db2.gz IZEPPWNQOAMRMX-UHFFFAOYSA-N 0 3 388.262 2.316 20 5 GEBDHN CC[C@H](N)c1cn(Cc2cc(I)cc([N+](=O)[O-])c2)nn1 ZINC000603238212 651472912 /nfs/dbraw/zinc/47/29/12/651472912.db2.gz UFBBTRAFDGBOHQ-NSHDSACASA-N 0 3 387.181 2.249 20 5 GEBDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000729489668 651570387 /nfs/dbraw/zinc/57/03/87/651570387.db2.gz QXZNCMDWUFBLCX-UHFFFAOYSA-N 0 3 393.893 2.227 20 5 GEBDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000609199123 651613255 /nfs/dbraw/zinc/61/32/55/651613255.db2.gz CSFDQUAPFVHQAL-UHFFFAOYSA-N 0 3 393.893 2.227 20 5 GEBDHN [NH3+][C@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000577849750 652222059 /nfs/dbraw/zinc/22/20/59/652222059.db2.gz DGHHKLAEIUNEDK-UWVGGRQHSA-N 0 3 381.376 2.409 20 5 GEBDHN COC(=O)[C@H]1C[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000597247086 652777414 /nfs/dbraw/zinc/77/74/14/652777414.db2.gz YHPBURJSWCNEEP-HOMQSWHASA-N 0 3 390.177 2.241 20 5 GEBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000601422800 653094097 /nfs/dbraw/zinc/09/40/97/653094097.db2.gz ZMEANJVBAOALEH-MWLCHTKSSA-N 0 3 381.376 2.327 20 5 GEBDHN CN(CCCN1CCN(C)CC1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602658442 653199041 /nfs/dbraw/zinc/19/90/41/653199041.db2.gz XTTHVBUOYAIZDJ-UHFFFAOYSA-N 0 3 391.335 2.488 20 5 GEBDHN Cn1cc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)c([N+](=O)[O-])n1 ZINC000602916270 653214769 /nfs/dbraw/zinc/21/47/69/653214769.db2.gz NHVHZVCKSTVWDX-MRXNPFEDSA-N 0 3 395.257 2.100 20 5 GEBDHN CSC1(CNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CCN(C)CC1 ZINC000810084165 653322769 /nfs/dbraw/zinc/32/27/69/653322769.db2.gz TYNPQQRRLAVNLY-UHFFFAOYSA-N 0 3 391.490 2.148 20 5 GEBDHN CN1CCC(NC(=S)NNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000777473242 653399231 /nfs/dbraw/zinc/39/92/31/653399231.db2.gz FVVFKHMNJXKSLI-UHFFFAOYSA-N 0 3 388.291 2.243 20 5 GEBDHN O=[N+]([O-])c1ccc(CNCC2CCN(S(=O)(=O)C(F)F)CC2)c(F)c1 ZINC000778090031 653425112 /nfs/dbraw/zinc/42/51/12/653425112.db2.gz ZRZPHXPMOGSSHQ-UHFFFAOYSA-N 0 3 381.376 2.088 20 5 GEBDHN CC(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)[N+](=O)[O-] ZINC000813103263 653462787 /nfs/dbraw/zinc/46/27/87/653462787.db2.gz ZLACCRWVDMZMOJ-NSHDSACASA-N 0 3 390.845 2.337 20 5 GEBDHN CC(COC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)[N+](=O)[O-] ZINC000813111272 653463440 /nfs/dbraw/zinc/46/34/40/653463440.db2.gz QQNPHSLQCMBCDP-VIFPVBQESA-N 0 3 379.419 2.395 20 5 GEBDHN C[C@@H]1CCC[N@H+](CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000814989622 653642148 /nfs/dbraw/zinc/64/21/48/653642148.db2.gz QZDPCJOIJHDAPV-SNVBAGLBSA-N 0 3 379.841 2.398 20 5 GEBDHN C[C@@H]1CCC[N@@H+](CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000814989622 653642149 /nfs/dbraw/zinc/64/21/49/653642149.db2.gz QZDPCJOIJHDAPV-SNVBAGLBSA-N 0 3 379.841 2.398 20 5 GEBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000815024899 653645197 /nfs/dbraw/zinc/64/51/97/653645197.db2.gz ORLNEDGQVZNCDD-GXFFZTMASA-N 0 3 391.852 2.492 20 5 GEBDHN CN1CC[C@]2(CCN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])C2)C1 ZINC000815049308 653648240 /nfs/dbraw/zinc/64/82/40/653648240.db2.gz YTSUGLMHFYPRDS-AWEZNQCLSA-N 0 3 377.825 2.104 20 5 GEBDHN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@H]1CCN(C2CC2)C1 ZINC000883416061 653839596 /nfs/dbraw/zinc/83/95/96/653839596.db2.gz KUEUCGPKDLWXEY-LBPRGKRZSA-N 0 3 383.246 2.393 20 5 GEBDHN CN1CC[C@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC[C@H]21 ZINC000867809893 653990967 /nfs/dbraw/zinc/99/09/67/653990967.db2.gz VDXQMGUAQLTBCM-JOYOIKCWSA-N 0 3 377.825 2.102 20 5 GEBDHN CN(CC(=O)N(C)[C@@H]1CCCN(C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796638676 654002938 /nfs/dbraw/zinc/00/29/38/654002938.db2.gz FGKNXXMIHGCTNJ-CYBMUJFWSA-N 0 3 399.289 2.346 20 5 GEBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@@H]2C1 ZINC000916662093 654104068 /nfs/dbraw/zinc/10/40/68/654104068.db2.gz KDZMGZPWFPYSQR-ZJUUUORDSA-N 0 3 394.280 2.474 20 5 GEBDHN CN(C)CCn1nnnc1SCc1c(Br)cccc1[N+](=O)[O-] ZINC000901466160 654126150 /nfs/dbraw/zinc/12/61/50/654126150.db2.gz JLGDIYWPQKZBFY-UHFFFAOYSA-N 0 3 387.263 2.198 20 5 GEBDHN CC(COC(=O)c1cnn(C(C)(C)C)c1I)[N+](=O)[O-] ZINC000893048189 654377733 /nfs/dbraw/zinc/37/77/33/654377733.db2.gz RQYNAGDJPQWKCI-ZETCQYMHSA-N 0 3 381.170 2.065 20 5 GEBDHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5cccc([N+](=O)[O-])c54)C[C@@H]3C2)cn1 ZINC001164763866 721233618 /nfs/dbraw/zinc/23/36/18/721233618.db2.gz NJLKGRYFRGSNJR-CVEARBPZSA-N 0 3 393.451 2.230 20 5 GEBDHN COc1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164984755 722106336 /nfs/dbraw/zinc/10/63/36/722106336.db2.gz UVAOGCRFIIDNGV-FUHWJXTLSA-N 0 3 399.451 2.121 20 5 GEBDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159620118 531787737 /nfs/dbraw/zinc/78/77/37/531787737.db2.gz UMFNFRNDIINCQR-UHFFFAOYSA-N 0 3 396.245 2.284 20 5 GEBDHN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CC[C@H]2CCC[NH2+]C2)c1 ZINC000123846054 532108478 /nfs/dbraw/zinc/10/84/78/532108478.db2.gz RBGDKBCRRRCNSF-SNVBAGLBSA-N 0 3 392.275 2.025 20 5 GEBDHN CN(C)CCn1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000131718377 532202470 /nfs/dbraw/zinc/20/24/70/532202470.db2.gz TWAQXBJCPHKUMI-UHFFFAOYSA-N 0 3 396.245 2.297 20 5 GEBDHN COc1c(F)cc(S(=O)(=O)NCCN(C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000186258076 532340383 /nfs/dbraw/zinc/34/03/83/532340383.db2.gz FFTKRQRMXYJNNQ-UHFFFAOYSA-N 0 3 377.438 2.140 20 5 GEBDHN COc1cc(Br)ccc1[C@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000190447280 532356106 /nfs/dbraw/zinc/35/61/06/532356106.db2.gz XHPXDAFXFYDBPT-GXFFZTMASA-N 0 3 399.245 2.274 20 5 GEBDHN O=[N+]([O-])c1cnn(CCNC[C@H](O)COc2ccc(Cl)c(Cl)c2)c1 ZINC000591756647 532421358 /nfs/dbraw/zinc/42/13/58/532421358.db2.gz LRLRNAZRWGKCQR-NSHDSACASA-N 0 3 375.212 2.128 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCOc3c(Br)cccc32)c1 ZINC000282048457 532442266 /nfs/dbraw/zinc/44/22/66/532442266.db2.gz LWCLDQPBGDUMBG-RISCZKNCSA-N 0 3 397.229 2.028 20 5 GEBDHN CN(C)CCN(Cc1ccc(Br)cc1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000470448241 532528706 /nfs/dbraw/zinc/52/87/06/532528706.db2.gz NCTHPLQQMIUHNI-UHFFFAOYSA-N 0 3 395.261 2.298 20 5 GEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCN1CCN(C)CC1 ZINC000284410787 532590584 /nfs/dbraw/zinc/59/05/84/532590584.db2.gz DONSOPFOSFVXAF-UHFFFAOYSA-N 0 3 399.289 2.033 20 5 GEBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000376523903 532616223 /nfs/dbraw/zinc/61/62/23/532616223.db2.gz YCGHJSQIUSNYEK-GXFFZTMASA-N 0 3 383.246 2.451 20 5 GEBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597693119 532624066 /nfs/dbraw/zinc/62/40/66/532624066.db2.gz BFBQLIFHXVAPMX-GJZGRUSLSA-N 0 3 398.257 2.293 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000285486908 532684312 /nfs/dbraw/zinc/68/43/12/532684312.db2.gz IKGRZHLKMQJYKG-IUODEOHRSA-N 0 3 389.239 2.172 20 5 GEBDHN Cc1c(Br)cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000378256821 532686444 /nfs/dbraw/zinc/68/64/44/532686444.db2.gz ZOMZTBDCUVFYQH-CHWSQXEVSA-N 0 3 398.257 2.259 20 5 GEBDHN C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000440358317 532711806 /nfs/dbraw/zinc/71/18/06/532711806.db2.gz NGNGJTVMKZRMMV-ZJUUUORDSA-N 0 3 392.275 2.024 20 5 GEBDHN COCCN(CCN(C)C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501108763 532737009 /nfs/dbraw/zinc/73/70/09/532737009.db2.gz RFRAWBJULUKKIL-UHFFFAOYSA-N 0 3 389.250 2.399 20 5 GEBDHN O=[N+]([O-])c1cc(Br)cnc1N1CCCN(C2CCOCC2)CC1 ZINC000301712483 532757106 /nfs/dbraw/zinc/75/71/06/532757106.db2.gz YKCKZDZHZHMHGI-UHFFFAOYSA-N 0 3 385.262 2.443 20 5 GEBDHN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN(C)C ZINC000286861350 532773679 /nfs/dbraw/zinc/77/36/79/532773679.db2.gz CFFYZRKHYSMRDM-QMMMGPOBSA-N 0 3 391.209 2.188 20 5 GEBDHN COC(=O)[C@H](C)CN(C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554934387 532806361 /nfs/dbraw/zinc/80/63/61/532806361.db2.gz LRKRRXUTTGARMP-SECBINFHSA-N 0 3 392.193 2.440 20 5 GEBDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000290809638 532890043 /nfs/dbraw/zinc/89/00/43/532890043.db2.gz SDCPMSZUBPETAZ-MFKMUULPSA-N 0 3 391.852 2.492 20 5 GEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000368550070 532933368 /nfs/dbraw/zinc/93/33/68/532933368.db2.gz FSTHTXSWEXRTMS-QWRGUYRKSA-N 0 3 383.246 2.451 20 5 GEBDHN O=[N+]([O-])c1cnc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c(-c2nnn[n-]2)c1 ZINC000823651475 599277873 /nfs/dbraw/zinc/27/78/73/599277873.db2.gz LEXWQAOOYCKQCZ-ZDUSSCGKSA-N 0 3 386.441 2.480 20 5 GEBDHN C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736204942 598498998 /nfs/dbraw/zinc/49/89/98/598498998.db2.gz UNNSPAKOIATMQY-GXTWGEPZSA-N 0 3 380.412 2.417 20 5 GEBDHN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736204942 598498999 /nfs/dbraw/zinc/49/89/99/598498999.db2.gz UNNSPAKOIATMQY-GXTWGEPZSA-N 0 3 380.412 2.417 20 5 GEBDHN C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736204942 598499002 /nfs/dbraw/zinc/49/90/02/598499002.db2.gz UNNSPAKOIATMQY-GXTWGEPZSA-N 0 3 380.412 2.417 20 5 GEBDHN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736204942 598499004 /nfs/dbraw/zinc/49/90/04/598499004.db2.gz UNNSPAKOIATMQY-GXTWGEPZSA-N 0 3 380.412 2.417 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645544 599483855 /nfs/dbraw/zinc/48/38/55/599483855.db2.gz TUJJSJWUSOFKCK-VXGBXAGGSA-N 0 3 380.412 2.362 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645544 599483857 /nfs/dbraw/zinc/48/38/57/599483857.db2.gz TUJJSJWUSOFKCK-VXGBXAGGSA-N 0 3 380.412 2.362 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645544 599483859 /nfs/dbraw/zinc/48/38/59/599483859.db2.gz TUJJSJWUSOFKCK-VXGBXAGGSA-N 0 3 380.412 2.362 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645544 599483860 /nfs/dbraw/zinc/48/38/60/599483860.db2.gz TUJJSJWUSOFKCK-VXGBXAGGSA-N 0 3 380.412 2.362 20 5 GEBDHN CC(C)[NH2+][C@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820137894 599508488 /nfs/dbraw/zinc/50/84/88/599508488.db2.gz PRQQLKKXSKKTAT-LBPRGKRZSA-N 0 3 382.428 2.290 20 5 GEBDHN CC(C)[NH2+][C@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820137894 599508490 /nfs/dbraw/zinc/50/84/90/599508490.db2.gz PRQQLKKXSKKTAT-LBPRGKRZSA-N 0 3 382.428 2.290 20 5 GEBDHN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820761628 606470649 /nfs/dbraw/zinc/47/06/49/606470649.db2.gz YVQIGNFOCVSBMS-CXAGYDPISA-N 0 3 394.439 2.492 20 5 GEBDHN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820761628 606470650 /nfs/dbraw/zinc/47/06/50/606470650.db2.gz YVQIGNFOCVSBMS-CXAGYDPISA-N 0 3 394.439 2.492 20 5 GEBDHN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820761628 606470651 /nfs/dbraw/zinc/47/06/51/606470651.db2.gz YVQIGNFOCVSBMS-CXAGYDPISA-N 0 3 394.439 2.492 20 5 GEBDHN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820761628 606470652 /nfs/dbraw/zinc/47/06/52/606470652.db2.gz YVQIGNFOCVSBMS-CXAGYDPISA-N 0 3 394.439 2.492 20 5 GEBDHN CC(C)[N@H+]1C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1 ZINC000820751710 606805608 /nfs/dbraw/zinc/80/56/08/606805608.db2.gz HQYYVGUUUWWKRB-ZBEGNZNMSA-N 0 3 382.428 2.464 20 5 GEBDHN CC(C)[N@@H+]1C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1 ZINC000820751710 606805610 /nfs/dbraw/zinc/80/56/10/606805610.db2.gz HQYYVGUUUWWKRB-ZBEGNZNMSA-N 0 3 382.428 2.464 20 5 GEBDHN CC(C)[N@H+]1C[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1 ZINC000820751710 606805612 /nfs/dbraw/zinc/80/56/12/606805612.db2.gz HQYYVGUUUWWKRB-ZBEGNZNMSA-N 0 3 382.428 2.464 20 5 GEBDHN CC(C)[N@@H+]1C[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1 ZINC000820751710 606805614 /nfs/dbraw/zinc/80/56/14/606805614.db2.gz HQYYVGUUUWWKRB-ZBEGNZNMSA-N 0 3 382.428 2.464 20 5 GEBDHN C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824584855 608493342 /nfs/dbraw/zinc/49/33/42/608493342.db2.gz IJYOJKGHZKSNOS-LBPRGKRZSA-N 0 3 381.396 2.454 20 5 GEBDHN C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000824584855 608493344 /nfs/dbraw/zinc/49/33/44/608493344.db2.gz IJYOJKGHZKSNOS-LBPRGKRZSA-N 0 3 381.396 2.454 20 5 GEBDHN COc1ccc(OCC[NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)c([N+](=O)[O-])c1 ZINC000826211510 608530875 /nfs/dbraw/zinc/53/08/75/608530875.db2.gz HWXLOPQMFFXOGI-UHFFFAOYSA-N 0 3 396.407 2.441 20 5 GEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000449187089 650033858 /nfs/dbraw/zinc/03/38/58/650033858.db2.gz KFFKQRKTDLKTQG-GXTWGEPZSA-N 0 3 384.479 2.012 20 5 GEBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1N(C)C ZINC000489245080 650756422 /nfs/dbraw/zinc/75/64/22/650756422.db2.gz FDBLOCQIQFAJAB-AAEUAGOBSA-N 0 3 375.397 2.314 20 5 GEBDHN O=C(CN[C@H]1CCO[C@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000494438082 650808449 /nfs/dbraw/zinc/80/84/49/650808449.db2.gz QDAPRJNVWOHAMX-ZFWWWQNUSA-N 0 3 384.230 2.453 20 5 GEBDHN O=[N+]([O-])c1cc(S(=O)(=O)NCCCN2CCCC2)ccc1Br ZINC000178283530 644432274 /nfs/dbraw/zinc/43/22/74/644432274.db2.gz DRIMSXKORNYKJK-UHFFFAOYSA-N 0 3 392.275 2.122 20 5 GEBDHN [NH3+]C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000237904997 645448122 /nfs/dbraw/zinc/44/81/22/645448122.db2.gz MGWPSNGGBZBUQL-CABZTGNLSA-N 0 3 381.376 2.409 20 5 GEBDHN CN(C)CCN(C)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000296649707 647253300 /nfs/dbraw/zinc/25/33/00/647253300.db2.gz FDNWMXYJHOZWRJ-UHFFFAOYSA-N 0 3 392.197 2.225 20 5 GEBDHN CS[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000330528115 647342005 /nfs/dbraw/zinc/34/20/05/647342005.db2.gz FCUGNVMHMLUCJM-CHWSQXEVSA-N 0 3 388.287 2.475 20 5 GEBDHN CN(C)C[C@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000732803949 651675334 /nfs/dbraw/zinc/67/53/34/651675334.db2.gz QTUASMBNKHYYOF-LLVKDONJSA-N 0 3 377.413 2.369 20 5 GEBDHN C[C@](O)(CO)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000619464307 652059792 /nfs/dbraw/zinc/05/97/92/652059792.db2.gz PRWISBXSFYEOAB-OAHLLOKOSA-N 0 3 385.214 2.450 20 5 GEBDHN CN(C)[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000578549830 652277367 /nfs/dbraw/zinc/27/73/67/652277367.db2.gz BMUOEGFDVBZSSC-HNNXBMFYSA-N 0 3 383.495 2.323 20 5 GEBDHN CN(C)[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000578549831 652277574 /nfs/dbraw/zinc/27/75/74/652277574.db2.gz BMUOEGFDVBZSSC-OAHLLOKOSA-N 0 3 383.495 2.323 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CC[NH2+]CC2)c(Br)c1 ZINC000593733667 652633989 /nfs/dbraw/zinc/63/39/89/652633989.db2.gz YKMMYNNRSBQYHA-UHFFFAOYSA-N 0 3 392.275 2.025 20 5 GEBDHN O=[N+]([O-])c1cnn(CCNCc2ccc(I)s2)c1 ZINC000602567494 653191085 /nfs/dbraw/zinc/19/10/85/653191085.db2.gz DVWFWHJRSOTSMQ-UHFFFAOYSA-N 0 3 378.195 2.247 20 5 GEBDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809817533 653300131 /nfs/dbraw/zinc/30/01/31/653300131.db2.gz DUFYNYJOKMFYNO-SNVBAGLBSA-N 0 3 379.841 2.350 20 5 GEBDHN CC(COC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl)[N+](=O)[O-] ZINC000813113852 653463630 /nfs/dbraw/zinc/46/36/30/653463630.db2.gz JXOBOQUEYVHUEC-SECBINFHSA-N 0 3 378.834 2.239 20 5 GEBDHN Cc1cccc(NCCNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n1 ZINC000815022754 653644934 /nfs/dbraw/zinc/64/49/34/653644934.db2.gz YMBPFTVQFHDQGJ-UHFFFAOYSA-N 0 3 388.808 2.481 20 5 GEBDHN NCc1cn([C@H]2CCCN(Cc3c(Br)cccc3[N+](=O)[O-])C2)nn1 ZINC000841099051 653706255 /nfs/dbraw/zinc/70/62/55/653706255.db2.gz CFIRZAYOZYWKKQ-LBPRGKRZSA-N 0 3 395.261 2.245 20 5 GEBDHN CS[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000790903746 653800240 /nfs/dbraw/zinc/80/02/40/653800240.db2.gz AFLQLBTXGYWVSD-KBPBESRZSA-N 0 3 375.853 2.434 20 5 GEBDHN CC1(C)CCNCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000866803832 653828999 /nfs/dbraw/zinc/82/89/99/653828999.db2.gz KUQDAVGTODTONB-UHFFFAOYSA-N 0 3 392.275 2.120 20 5 GEBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC000897814941 653938892 /nfs/dbraw/zinc/93/88/92/653938892.db2.gz NTWNLAKFKCMXMW-BJJPWKGXSA-N 0 3 386.189 2.465 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC(Cc3cccc(Br)c3)C2)c1 ZINC000905977168 654396157 /nfs/dbraw/zinc/39/61/57/654396157.db2.gz GURQMDTYORRQOM-INIZCTEOSA-N 0 3 395.257 2.089 20 5 GEBDHN CCN(C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000855361558 654415169 /nfs/dbraw/zinc/41/51/69/654415169.db2.gz WMERTTCYGXJDDG-CYBMUJFWSA-N 0 3 399.289 2.346 20 5 GEBDHN COc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164976652 722111220 /nfs/dbraw/zinc/11/12/20/722111220.db2.gz LZWLUIBWPATPRZ-VQIMIIECSA-N 0 3 399.451 2.121 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccncc3)CC2)c(Cl)c1 ZINC000055986561 531801187 /nfs/dbraw/zinc/80/11/87/531801187.db2.gz WDUPGDDACYSSAL-UHFFFAOYSA-N 0 3 382.829 2.154 20 5 GEBDHN CCN1CCN(CCNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000163848005 531865395 /nfs/dbraw/zinc/86/53/95/531865395.db2.gz FBFHWXIEIYWLFG-UHFFFAOYSA-N 0 3 399.289 2.033 20 5 GEBDHN CN(CCCN1CCN(C)CC1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177278289 532167214 /nfs/dbraw/zinc/16/72/14/532167214.db2.gz SKFIVSCJACYXBS-UHFFFAOYSA-N 0 3 399.289 2.067 20 5 GEBDHN CN1C[C@H]2[C@@H](CCN2Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000590011947 532366441 /nfs/dbraw/zinc/36/64/41/532366441.db2.gz NLKKLRNJLROPDX-FZMZJTMJSA-N 0 3 387.221 2.335 20 5 GEBDHN COCCOC[C@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000516269397 532385209 /nfs/dbraw/zinc/38/52/09/532385209.db2.gz WORLBUQERGMILT-JTQLQIEISA-N 0 3 394.209 2.341 20 5 GEBDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000520557946 532495746 /nfs/dbraw/zinc/49/57/46/532495746.db2.gz CEUMDETZQMHIKN-UHFFFAOYSA-N 0 3 393.893 2.227 20 5 GEBDHN O=[N+]([O-])c1cnn(CCNC[C@H](O)COc2cc(Cl)ccc2Cl)c1 ZINC000564853459 532536260 /nfs/dbraw/zinc/53/62/60/532536260.db2.gz FJHRAPCGAYGJKB-LBPRGKRZSA-N 0 3 375.212 2.128 20 5 GEBDHN CCCN(C)CC(C)(C)NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000595382122 532562341 /nfs/dbraw/zinc/56/23/41/532562341.db2.gz QASNGTZFQMXQTC-UHFFFAOYSA-N 0 3 377.438 2.141 20 5 GEBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597693117 532624048 /nfs/dbraw/zinc/62/40/48/532624048.db2.gz BFBQLIFHXVAPMX-CABCVRRESA-N 0 3 398.257 2.293 20 5 GEBDHN CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2I)CC1 ZINC000263732088 532637475 /nfs/dbraw/zinc/63/74/75/532637475.db2.gz YPHGIORIPBGFNF-UHFFFAOYSA-N 0 3 389.193 2.023 20 5 GEBDHN CN1CCC[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000567868946 532668220 /nfs/dbraw/zinc/66/82/20/532668220.db2.gz LDIJULGSIIBTQZ-SNVBAGLBSA-N 0 3 381.376 2.234 20 5 GEBDHN C[C@](CO)(NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)cc1 ZINC000285374243 532676628 /nfs/dbraw/zinc/67/66/28/532676628.db2.gz GFCJNJMJHHMUSV-MRXNPFEDSA-N 0 3 396.241 2.016 20 5 GEBDHN COCCN1CC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501121116 532736532 /nfs/dbraw/zinc/73/65/32/532736532.db2.gz TZKVBFYRZXXWEP-NSHDSACASA-N 0 3 387.234 2.200 20 5 GEBDHN O=[N+]([O-])c1cnc(N2CCC(CN3CCOCC3)CC2)c(Br)c1 ZINC000267198438 532738442 /nfs/dbraw/zinc/73/84/42/532738442.db2.gz FIXUNSQTYBBHMQ-UHFFFAOYSA-N 0 3 385.262 2.301 20 5 GEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CS(=O)(=O)CCO3)s2)cc1 ZINC000507822269 532760446 /nfs/dbraw/zinc/76/04/46/532760446.db2.gz HLRNOTPAEXZOBK-AWEZNQCLSA-N 0 3 382.463 2.227 20 5 GEBDHN CNC(=O)[C@@H](C)CN(C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000290127903 532873738 /nfs/dbraw/zinc/87/37/38/532873738.db2.gz ZGXDDADBSKUWHM-VIFPVBQESA-N 0 3 391.209 2.013 20 5 GEBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416386528 532874438 /nfs/dbraw/zinc/87/44/38/532874438.db2.gz ICQOYGGAGSJCBS-LLVKDONJSA-N 0 3 381.376 2.328 20 5 GEBDHN CN1CCN(C[C@H]2CCCN(c3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000361812099 532894473 /nfs/dbraw/zinc/89/44/73/532894473.db2.gz JHNMJVDDBWLKSL-CYBMUJFWSA-N 0 3 398.305 2.216 20 5 GEBDHN C[C@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000820411312 599693945 /nfs/dbraw/zinc/69/39/45/599693945.db2.gz IPSFUJSNFAEEFN-ZDUSSCGKSA-N 0 3 394.439 2.490 20 5 GEBDHN C[C@H]([NH2+]C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000820411312 599693946 /nfs/dbraw/zinc/69/39/46/599693946.db2.gz IPSFUJSNFAEEFN-ZDUSSCGKSA-N 0 3 394.439 2.490 20 5 GEBDHN C[NH+](C)CCN(CCc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821586344 606224461 /nfs/dbraw/zinc/22/44/61/606224461.db2.gz UGDQFYUMEOISSF-UHFFFAOYSA-N 0 3 381.440 2.386 20 5 GEBDHN C[NH+](C)CCN(CCc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821586344 606224462 /nfs/dbraw/zinc/22/44/62/606224462.db2.gz UGDQFYUMEOISSF-UHFFFAOYSA-N 0 3 381.440 2.386 20 5 GEBDHN COc1cccc([C@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000821864121 606644937 /nfs/dbraw/zinc/64/49/37/606644937.db2.gz UDKMJSUQJFXBSY-KRWDZBQOSA-N 0 3 383.412 2.498 20 5 GEBDHN COc1cccc([C@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000821864121 606644938 /nfs/dbraw/zinc/64/49/38/606644938.db2.gz UDKMJSUQJFXBSY-KRWDZBQOSA-N 0 3 383.412 2.498 20 5 GEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000820225148 606996381 /nfs/dbraw/zinc/99/63/81/606996381.db2.gz BVSFXRJPYYMODM-GFCCVEGCSA-N 0 3 381.396 2.282 20 5 GEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000820225148 606996383 /nfs/dbraw/zinc/99/63/83/606996383.db2.gz BVSFXRJPYYMODM-GFCCVEGCSA-N 0 3 381.396 2.282 20 5 GEBDHN C[NH+](C)CCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000821586474 607114721 /nfs/dbraw/zinc/11/47/21/607114721.db2.gz ZJNULCLIMSVVQX-UHFFFAOYSA-N 0 3 385.403 2.482 20 5 GEBDHN CCCCN(C)CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000489854045 650764729 /nfs/dbraw/zinc/76/47/29/650764729.db2.gz ATCWONLKSOONGO-UHFFFAOYSA-N 0 3 394.291 2.368 20 5 GEBDHN CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236676746 645417537 /nfs/dbraw/zinc/41/75/37/645417537.db2.gz UOOFABDTWGAHNA-JTQLQIEISA-N 0 3 380.264 2.153 20 5 GEBDHN CS[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000330528117 647342034 /nfs/dbraw/zinc/34/20/34/647342034.db2.gz FCUGNVMHMLUCJM-QWHCGFSZSA-N 0 3 388.287 2.475 20 5 GEBDHN C[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000362660070 647570781 /nfs/dbraw/zinc/57/07/81/647570781.db2.gz UUHKFVYEHSVOQH-GXTWGEPZSA-N 0 3 398.305 2.215 20 5 GEBDHN O=[N+]([O-])c1cc(I)cc(CN2CC[C@H](c3nc[nH]n3)C2)c1 ZINC000425359107 648673885 /nfs/dbraw/zinc/67/38/85/648673885.db2.gz SEIKYCZRFHPRJP-JTQLQIEISA-N 0 3 399.192 2.307 20 5 GEBDHN C[C@@H](CCNCc1cc(I)cc([N+](=O)[O-])c1)[S@](C)=O ZINC000580178427 652369035 /nfs/dbraw/zinc/36/90/35/652369035.db2.gz XTVVGQANQAWUAY-UGZDLDLSSA-N 0 3 396.250 2.446 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC000599666927 652882815 /nfs/dbraw/zinc/88/28/15/652882815.db2.gz OYCHJRSMIYBFJZ-HUUCEWRRSA-N 0 3 389.239 2.172 20 5 GEBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000601421373 653093798 /nfs/dbraw/zinc/09/37/98/653093798.db2.gz JWOLRQDWYVEGQC-CABZTGNLSA-N 0 3 392.275 2.070 20 5 GEBDHN CC(C)N(C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000809861303 653311345 /nfs/dbraw/zinc/31/13/45/653311345.db2.gz YOMRYCGFSAWYRR-JTQLQIEISA-N 0 3 394.291 2.364 20 5 GEBDHN CCN(CC)CCS(=O)(=O)Oc1cc(Br)ccc1[N+](=O)[O-] ZINC000859281019 653432525 /nfs/dbraw/zinc/43/25/25/653432525.db2.gz KIIUPCTYUWQOPU-UHFFFAOYSA-N 0 3 381.248 2.408 20 5 GEBDHN CC(COC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813100094 653462219 /nfs/dbraw/zinc/46/22/19/653462219.db2.gz MEXLQVWASSIRIM-QMMMGPOBSA-N 0 3 376.163 2.002 20 5 GEBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000844032568 653799672 /nfs/dbraw/zinc/79/96/72/653799672.db2.gz BTUMMCFMLMHINN-SECBINFHSA-N 0 3 389.239 2.094 20 5 GEBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000867307865 653912593 /nfs/dbraw/zinc/91/25/93/653912593.db2.gz DJINPZBUDIJLJV-JOYOIKCWSA-N 0 3 392.275 2.070 20 5 GEBDHN CN(CC(=O)N[C@H]1CCN(C2CC2)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000795563013 653958887 /nfs/dbraw/zinc/95/88/87/653958887.db2.gz MOHXREIXGSUTOH-LBPRGKRZSA-N 0 3 397.273 2.146 20 5 GEBDHN O=C(NC[C@H]1CCN1C1CCOCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000885869607 653960950 /nfs/dbraw/zinc/96/09/50/653960950.db2.gz UKLHVMHYAMPAGM-CYBMUJFWSA-N 0 3 398.257 2.340 20 5 GEBDHN CN(CC(=O)N[C@@H]1CCCN(C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796186639 653990005 /nfs/dbraw/zinc/99/00/05/653990005.db2.gz OOIIUXBDPXKIND-GFCCVEGCSA-N 0 3 385.262 2.004 20 5 GEBDHN O=C1CC[C@H](N2CCN(c3cccc(Br)c3[N+](=O)[O-])CC2)CCN1 ZINC000856764028 654493375 /nfs/dbraw/zinc/49/33/75/654493375.db2.gz NDAZPHLBMOPOGF-LBPRGKRZSA-N 0 3 397.273 2.148 20 5 GEBDHN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)CCN1C ZINC000928437250 654647143 /nfs/dbraw/zinc/64/71/43/654647143.db2.gz BTGCZAKJVNVIFM-PRHODGIISA-N 0 3 389.193 2.022 20 5 GEBDHN CCOC(=O)C1CCN(C2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001164613854 719024857 /nfs/dbraw/zinc/02/48/57/719024857.db2.gz HZELIKLQLAEZAG-UHFFFAOYSA-N 0 3 380.420 2.373 20 5 GEBDHN O=[N+]([O-])c1ccc2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2c1 ZINC001164738874 720670394 /nfs/dbraw/zinc/67/03/94/720670394.db2.gz LESSYGGQGCKQQB-DLBZAZTESA-N 0 3 392.419 2.275 20 5 GEBDHN CCOc1nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164865718 721118974 /nfs/dbraw/zinc/11/89/74/721118974.db2.gz OVKCYHINYKQQRU-DLBZAZTESA-N 0 3 399.451 2.263 20 5 GEBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121679493 532042358 /nfs/dbraw/zinc/04/23/58/532042358.db2.gz WHZLMYUEDFRWJL-UHFFFAOYSA-N 0 3 399.289 2.067 20 5 GEBDHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000133876515 532244867 /nfs/dbraw/zinc/24/48/67/532244867.db2.gz IAOSQQUCENBGTB-UHFFFAOYSA-N 0 3 394.291 2.368 20 5 GEBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1sc(Br)cc1[N+](=O)[O-] ZINC000373113887 532433924 /nfs/dbraw/zinc/43/39/24/532433924.db2.gz WKAHFHHGYPANPF-RKDXNWHRSA-N 0 3 390.259 2.012 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCOc3c(Br)cccc32)c1 ZINC000282048459 532441889 /nfs/dbraw/zinc/44/18/89/532441889.db2.gz LWCLDQPBGDUMBG-SMDDNHRTSA-N 0 3 397.229 2.028 20 5 GEBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)[C@@H](C)CN1 ZINC000237646976 532509610 /nfs/dbraw/zinc/50/96/10/532509610.db2.gz UOUNZFUWCNQKIV-IUCAKERBSA-N 0 3 389.193 2.022 20 5 GEBDHN NC(=O)[C@H]1CCCN1C1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596174599 532589346 /nfs/dbraw/zinc/58/93/46/532589346.db2.gz JOZKNNWYLFMPTJ-CQSZACIVSA-N 0 3 397.273 2.276 20 5 GEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000376523905 532616107 /nfs/dbraw/zinc/61/61/07/532616107.db2.gz YCGHJSQIUSNYEK-ZWNOBZJWSA-N 0 3 383.246 2.451 20 5 GEBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000378290793 532689234 /nfs/dbraw/zinc/68/92/34/532689234.db2.gz YRUPCXFQMQXAQZ-NWDGAFQWSA-N 0 3 399.245 2.342 20 5 GEBDHN CC(C)C[C@H](C[NH3+])[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440412139 532713386 /nfs/dbraw/zinc/71/33/86/532713386.db2.gz UYMRKNYQUCOVBE-SNVBAGLBSA-N 0 3 380.264 2.009 20 5 GEBDHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414465247 532829565 /nfs/dbraw/zinc/82/95/65/532829565.db2.gz QIVRTCXGHZHHSN-QWRGUYRKSA-N 0 3 381.376 2.375 20 5 GEBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@@]2(O)CCSC2)c1 ZINC000289528267 532857647 /nfs/dbraw/zinc/85/76/47/532857647.db2.gz OINDRKLCSODITO-LBPRGKRZSA-N 0 3 394.234 2.157 20 5 GEBDHN C[S@@](=O)C1(CNCc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000289807383 532865292 /nfs/dbraw/zinc/86/52/92/532865292.db2.gz LJXBIKSKBMXQES-LJQANCHMSA-N 0 3 394.234 2.200 20 5 GEBDHN NC(=O)[C@H]1CCCN1CCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290801758 532889997 /nfs/dbraw/zinc/88/99/97/532889997.db2.gz FHSPJSBJVOVLDB-CYBMUJFWSA-N 0 3 375.256 2.331 20 5 GEBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000370467626 532943639 /nfs/dbraw/zinc/94/36/39/532943639.db2.gz DESJKFCZEFWFSI-CYBMUJFWSA-N 0 3 387.889 2.302 20 5 GEBDHN CCOCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000736617621 599063841 /nfs/dbraw/zinc/06/38/41/599063841.db2.gz ZIACQLIVPBHBKW-BBRMVZONSA-N 0 3 389.460 2.324 20 5 GEBDHN CCOCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000736617621 599063843 /nfs/dbraw/zinc/06/38/43/599063843.db2.gz ZIACQLIVPBHBKW-BBRMVZONSA-N 0 3 389.460 2.324 20 5 GEBDHN CCOCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000736617621 599063847 /nfs/dbraw/zinc/06/38/47/599063847.db2.gz ZIACQLIVPBHBKW-BBRMVZONSA-N 0 3 389.460 2.324 20 5 GEBDHN CCOCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000736617621 599063849 /nfs/dbraw/zinc/06/38/49/599063849.db2.gz ZIACQLIVPBHBKW-BBRMVZONSA-N 0 3 389.460 2.324 20 5 GEBDHN O=[N+]([O-])c1cnc(N2CCC(C[NH+]3CCCCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370956 598500048 /nfs/dbraw/zinc/50/00/48/598500048.db2.gz YPHBFNCXSAGWMO-UHFFFAOYSA-N 0 3 386.460 2.262 20 5 GEBDHN O=[N+]([O-])c1cnc(N2CCC(C[NH+]3CCCCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000738370956 598500049 /nfs/dbraw/zinc/50/00/49/598500049.db2.gz YPHBFNCXSAGWMO-UHFFFAOYSA-N 0 3 386.460 2.262 20 5 GEBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000824384973 608282300 /nfs/dbraw/zinc/28/23/00/608282300.db2.gz IYBTXVYUYHOBRV-NSHDSACASA-N 0 3 399.386 2.421 20 5 GEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H](O)[C@@H](CO)C3)o2)c(Br)c1 ZINC000459702135 650429913 /nfs/dbraw/zinc/42/99/13/650429913.db2.gz KZGQHUQKWCTWLR-BMIGLBTASA-N 0 3 397.225 2.402 20 5 GEBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000109065162 643288703 /nfs/dbraw/zinc/28/87/03/643288703.db2.gz SMRAXWZGCPKIPZ-JTQLQIEISA-N 0 3 394.291 2.366 20 5 GEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)NC(C)C ZINC000539093326 650842026 /nfs/dbraw/zinc/84/20/26/650842026.db2.gz JQPHWZMPHFLQGY-ZDUSSCGKSA-N 0 3 375.516 2.383 20 5 GEBDHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000177283680 644412949 /nfs/dbraw/zinc/41/29/49/644412949.db2.gz KBUUIYCUGXVLHB-LBPRGKRZSA-N 0 3 399.289 2.113 20 5 GEBDHN CCN1CCN(C[C@@H](C)CNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000277153434 646383524 /nfs/dbraw/zinc/38/35/24/646383524.db2.gz RQUSCUGASIGPSS-LBPRGKRZSA-N 0 3 386.294 2.438 20 5 GEBDHN CC(C)N(C)C[C@H](C)NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000571247683 651820249 /nfs/dbraw/zinc/82/02/49/651820249.db2.gz YUFCONQBLMKVNE-JTQLQIEISA-N 0 3 394.291 2.364 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000757675984 652520352 /nfs/dbraw/zinc/52/03/52/652520352.db2.gz QCNPSCBVLUJWCB-KFWWJZLASA-N 0 3 388.536 2.338 20 5 GEBDHN CC(C)[N@H+](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000589236417 652563280 /nfs/dbraw/zinc/56/32/80/652563280.db2.gz DDLWVRUUWOECGS-JTQLQIEISA-N 0 3 394.291 2.364 20 5 GEBDHN CC(C)[N@@H+](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000589236417 652563283 /nfs/dbraw/zinc/56/32/83/652563283.db2.gz DDLWVRUUWOECGS-JTQLQIEISA-N 0 3 394.291 2.364 20 5 GEBDHN [NH3+][C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000592391853 652593091 /nfs/dbraw/zinc/59/30/91/652593091.db2.gz OUXJEBYTDIULLJ-NXEZZACHSA-N 0 3 392.275 2.153 20 5 GEBDHN COCCN1CCC(NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599163973 652851928 /nfs/dbraw/zinc/85/19/28/652851928.db2.gz KCBHEYSHCSOQGV-UHFFFAOYSA-N 0 3 386.246 2.198 20 5 GEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCCN1CCCS1(=O)=O ZINC000602545833 653190090 /nfs/dbraw/zinc/19/00/90/653190090.db2.gz XLEHHYQVMYTIMW-UHFFFAOYSA-N 0 3 381.376 2.129 20 5 GEBDHN O=[N+]([O-])c1sc(CNC[C@H]2CCCN2CCCO)cc1Br ZINC000602673205 653199646 /nfs/dbraw/zinc/19/96/46/653199646.db2.gz JGZVUALVDQSNOS-SNVBAGLBSA-N 0 3 378.292 2.355 20 5 GEBDHN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C1CC[NH+](C2CC2)CC1 ZINC000814982021 653641797 /nfs/dbraw/zinc/64/17/97/653641797.db2.gz UQLBHMBSDZSPQB-UHFFFAOYSA-N 0 3 377.825 2.292 20 5 GEBDHN NCc1cn([C@@H]2CCCN(Cc3ccc(Br)c([N+](=O)[O-])c3)C2)nn1 ZINC000841099052 653706308 /nfs/dbraw/zinc/70/63/08/653706308.db2.gz CFMLMTPDMSPYSZ-CYBMUJFWSA-N 0 3 395.261 2.245 20 5 GEBDHN C[C@H]1CN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000820874668 653785624 /nfs/dbraw/zinc/78/56/24/653785624.db2.gz ROJMVDCOUSJTTG-SNVBAGLBSA-N 0 3 397.273 2.496 20 5 GEBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3cnc(Br)cn3)CC2)cn1 ZINC000895407591 653832950 /nfs/dbraw/zinc/83/29/50/653832950.db2.gz VFLJHOMWOZGLOP-UHFFFAOYSA-N 0 3 393.245 2.301 20 5 GEBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000867307866 653912640 /nfs/dbraw/zinc/91/26/40/653912640.db2.gz DJINPZBUDIJLJV-SKDRFNHKSA-N 0 3 392.275 2.070 20 5 GEBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000885869609 653960865 /nfs/dbraw/zinc/96/08/65/653960865.db2.gz UKLHVMHYAMPAGM-ZDUSSCGKSA-N 0 3 398.257 2.340 20 5 GEBDHN O=C(NC[C@H]1CCN1C1CCOCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000885876777 653961257 /nfs/dbraw/zinc/96/12/57/653961257.db2.gz YDSGFUDGOCEXFK-CQSZACIVSA-N 0 3 398.257 2.340 20 5 GEBDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795887477 653974993 /nfs/dbraw/zinc/97/49/93/653974993.db2.gz AMUVKGCGWBCIJV-GXFFZTMASA-N 0 3 391.852 2.492 20 5 GEBDHN C[C@@H]1CCC[N@H+](CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000798225857 654055068 /nfs/dbraw/zinc/05/50/68/654055068.db2.gz OXHFQBHERFJTGS-SNVBAGLBSA-N 0 3 379.841 2.398 20 5 GEBDHN C[C@@H]1CCC[N@@H+](CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000798225857 654055070 /nfs/dbraw/zinc/05/50/70/654055070.db2.gz OXHFQBHERFJTGS-SNVBAGLBSA-N 0 3 379.841 2.398 20 5 GEBDHN O=C1CC[C@@H](N2CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)CCN1 ZINC000829352676 654065381 /nfs/dbraw/zinc/06/53/81/654065381.db2.gz YXEDKIZBIGEKQW-CYBMUJFWSA-N 0 3 397.273 2.148 20 5 GEBDHN CC(C)[C@H]([NH3+])CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000850593560 654085281 /nfs/dbraw/zinc/08/52/81/654085281.db2.gz WCEZXIGVOUYUTA-LLVKDONJSA-N 0 3 380.264 2.009 20 5 GEBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)c1cc([N+](=O)[O-])ccc1Br ZINC000906442269 654437743 /nfs/dbraw/zinc/43/77/43/654437743.db2.gz YRAZJKDUFFZNDL-ZDUSSCGKSA-N 0 3 398.257 2.340 20 5 GEBDHN O=[N+]([O-])c1cccc(Br)c1CN1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934275304 654842708 /nfs/dbraw/zinc/84/27/08/654842708.db2.gz OIYNRVXTQFNLRT-JKSUJKDBSA-N 0 3 384.274 2.388 20 5 GEBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000935779540 654916142 /nfs/dbraw/zinc/91/61/42/654916142.db2.gz ZQJNBCRBCGJJSH-LLVKDONJSA-N 0 3 385.262 2.496 20 5 GEBDHN O=[N+]([O-])c1cnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c2ccccc21 ZINC001164744343 720683024 /nfs/dbraw/zinc/68/30/24/720683024.db2.gz ZKUVMXKMKJJKFK-CABCVRRESA-N 0 3 392.419 2.275 20 5 GEBDHN O=[N+]([O-])c1cccc2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ccc21 ZINC001164736701 720689300 /nfs/dbraw/zinc/68/93/00/720689300.db2.gz AMZKWIUGPZGYTK-CABCVRRESA-N 0 3 392.419 2.275 20 5 GEBDHN Cc1c(C)c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164864087 721098485 /nfs/dbraw/zinc/09/84/85/721098485.db2.gz DZLGFSDOCCKTIE-ZWKOTPCHSA-N 0 3 383.452 2.481 20 5 GEBDHN O=[N+]([O-])c1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc2[nH]ccc21 ZINC001164867697 721115563 /nfs/dbraw/zinc/11/55/63/721115563.db2.gz ZPIHOCATUASVIL-HOTGVXAUSA-N 0 3 394.435 2.346 20 5 GEBDHN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCCN1CCCC1 ZINC000171415635 531905362 /nfs/dbraw/zinc/90/53/62/531905362.db2.gz KOQBEUAIIIDBTG-UHFFFAOYSA-N 0 3 392.275 2.122 20 5 GEBDHN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCC[NH+]1CCCC1 ZINC000171415635 531905371 /nfs/dbraw/zinc/90/53/71/531905371.db2.gz KOQBEUAIIIDBTG-UHFFFAOYSA-N 0 3 392.275 2.122 20 5 GEBDHN CN(CCCN1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121944219 532052510 /nfs/dbraw/zinc/05/25/10/532052510.db2.gz YBEABMBPDIDTQM-UHFFFAOYSA-N 0 3 399.289 2.067 20 5 GEBDHN CS(=O)(=O)CCOCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000174512953 532068268 /nfs/dbraw/zinc/06/82/68/532068268.db2.gz SJGWKDPABGQXIN-UHFFFAOYSA-N 0 3 384.479 2.474 20 5 GEBDHN COc1ccc([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Br ZINC000174693059 532073888 /nfs/dbraw/zinc/07/38/88/532073888.db2.gz OCSWXXHPLGIEME-MFKMUULPSA-N 0 3 399.245 2.274 20 5 GEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000184293114 532331710 /nfs/dbraw/zinc/33/17/10/532331710.db2.gz WYIVOFPBZVQMDD-LBPRGKRZSA-N 0 3 399.289 2.113 20 5 GEBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1Br ZINC000373892693 532477218 /nfs/dbraw/zinc/47/72/18/532477218.db2.gz MPOJEIWDBXWEJT-GFCCVEGCSA-N 0 3 398.257 2.340 20 5 GEBDHN C[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000374306522 532497323 /nfs/dbraw/zinc/49/73/23/532497323.db2.gz ALYFJKUNJXKERD-OCCSQVGLSA-N 0 3 398.305 2.215 20 5 GEBDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000520555922 532495261 /nfs/dbraw/zinc/49/52/61/532495261.db2.gz ZAIBTEAONNSIFT-UHFFFAOYSA-N 0 3 393.893 2.227 20 5 GEBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597695119 532623951 /nfs/dbraw/zinc/62/39/51/532623951.db2.gz QKZNCBUOIOFMKN-CABCVRRESA-N 0 3 398.257 2.293 20 5 GEBDHN Cc1c(Br)cc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000378256823 532686783 /nfs/dbraw/zinc/68/67/83/532686783.db2.gz ZOMZTBDCUVFYQH-QWHCGFSZSA-N 0 3 398.257 2.259 20 5 GEBDHN CC[NH+](CC)C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000440088474 532707001 /nfs/dbraw/zinc/70/70/01/532707001.db2.gz AAEOXXQDDQUJKE-JTQLQIEISA-N 0 3 394.291 2.366 20 5 GEBDHN C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000440345492 532710560 /nfs/dbraw/zinc/71/05/60/532710560.db2.gz YXMGVAQLCLIQQN-NXEZZACHSA-N 0 3 392.275 2.024 20 5 GEBDHN CC(C)C[C@@H](C[NH3+])[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440412136 532713399 /nfs/dbraw/zinc/71/33/99/532713399.db2.gz UYMRKNYQUCOVBE-JTQLQIEISA-N 0 3 380.264 2.009 20 5 GEBDHN CN(C[C@@H](O)COc1ccc(I)cc1[N+](=O)[O-])C1CC1 ZINC000290512324 532882524 /nfs/dbraw/zinc/88/25/24/532882524.db2.gz BQAMOWYAHSOWDM-LLVKDONJSA-N 0 3 392.193 2.033 20 5 GEBDHN CN(CCc1cccc(Br)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000291273795 532899536 /nfs/dbraw/zinc/89/95/36/532899536.db2.gz PUAJBIZZWFHCNY-HNNXBMFYSA-N 0 3 383.246 2.089 20 5 GEBDHN CN1CC[C@@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000366482163 532917860 /nfs/dbraw/zinc/91/78/60/532917860.db2.gz MTXSUYSOMHQOOL-MRXNPFEDSA-N 0 3 382.258 2.454 20 5 GEBDHN O=[N+]([O-])c1cnc(N2CCC[N@H+](CC3CCCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000738369863 598499851 /nfs/dbraw/zinc/49/98/51/598499851.db2.gz QALLEFVTDRAXFR-UHFFFAOYSA-N 0 3 386.460 2.262 20 5 GEBDHN O=[N+]([O-])c1cnc(N2CCC[N@@H+](CC3CCCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000738369863 598499853 /nfs/dbraw/zinc/49/98/53/598499853.db2.gz QALLEFVTDRAXFR-UHFFFAOYSA-N 0 3 386.460 2.262 20 5 GEBDHN O=[N+]([O-])c1cnc(N2CCC[N@H+](CC3CCCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000738369863 598499856 /nfs/dbraw/zinc/49/98/56/598499856.db2.gz QALLEFVTDRAXFR-UHFFFAOYSA-N 0 3 386.460 2.262 20 5 GEBDHN O=[N+]([O-])c1cnc(N2CCC[N@@H+](CC3CCCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000738369863 598499858 /nfs/dbraw/zinc/49/98/58/598499858.db2.gz QALLEFVTDRAXFR-UHFFFAOYSA-N 0 3 386.460 2.262 20 5 GEBDHN CC(C)[NH2+]C1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820138626 599518177 /nfs/dbraw/zinc/51/81/77/599518177.db2.gz ZRFMSCRNVPLZPZ-UHFFFAOYSA-N 0 3 382.428 2.290 20 5 GEBDHN CC(C)[NH2+]C1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820138626 599518178 /nfs/dbraw/zinc/51/81/78/599518178.db2.gz ZRFMSCRNVPLZPZ-UHFFFAOYSA-N 0 3 382.428 2.290 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N3CC[C@@H]([NH+]4CCCCC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645244 599545438 /nfs/dbraw/zinc/54/54/38/599545438.db2.gz QKVQXWNRWMYFDF-CQSZACIVSA-N 0 3 394.439 2.388 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N3CC[C@@H]([NH+]4CCCCC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645244 599545440 /nfs/dbraw/zinc/54/54/40/599545440.db2.gz QKVQXWNRWMYFDF-CQSZACIVSA-N 0 3 394.439 2.388 20 5 GEBDHN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820761704 606470354 /nfs/dbraw/zinc/47/03/54/606470354.db2.gz YVQIGNFOCVSBMS-SUMWQHHRSA-N 0 3 394.439 2.492 20 5 GEBDHN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820761704 606470355 /nfs/dbraw/zinc/47/03/55/606470355.db2.gz YVQIGNFOCVSBMS-SUMWQHHRSA-N 0 3 394.439 2.492 20 5 GEBDHN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820761704 606470356 /nfs/dbraw/zinc/47/03/56/606470356.db2.gz YVQIGNFOCVSBMS-SUMWQHHRSA-N 0 3 394.439 2.492 20 5 GEBDHN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820761704 606470357 /nfs/dbraw/zinc/47/03/57/606470357.db2.gz YVQIGNFOCVSBMS-SUMWQHHRSA-N 0 3 394.439 2.492 20 5 GEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000826497406 608243195 /nfs/dbraw/zinc/24/31/95/608243195.db2.gz GDXGCWXVFBSVOG-UHFFFAOYSA-N 0 3 380.412 2.498 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N3CCC[C@H]([NH+]4CCCC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499828 608370249 /nfs/dbraw/zinc/37/02/49/608370249.db2.gz ZKDKIQSBQZWGMV-AWEZNQCLSA-N 0 3 394.439 2.388 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N3CCC[C@H]([NH+]4CCCC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499828 608370251 /nfs/dbraw/zinc/37/02/51/608370251.db2.gz ZKDKIQSBQZWGMV-AWEZNQCLSA-N 0 3 394.439 2.388 20 5 GEBDHN C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824585249 608462666 /nfs/dbraw/zinc/46/26/66/608462666.db2.gz OPFJQDJEXDDJCC-LBPRGKRZSA-N 0 3 381.396 2.454 20 5 GEBDHN C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585249 608462667 /nfs/dbraw/zinc/46/26/67/608462667.db2.gz OPFJQDJEXDDJCC-LBPRGKRZSA-N 0 3 381.396 2.454 20 5 GEBDHN CS[C@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000541062738 650870319 /nfs/dbraw/zinc/87/03/19/650870319.db2.gz VMLZHTPGJHDLRI-AAEUAGOBSA-N 0 3 375.397 2.314 20 5 GEBDHN COCCN(CCN(C)C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155167705 644066605 /nfs/dbraw/zinc/06/66/05/644066605.db2.gz JXVCBJSOOLOFFP-UHFFFAOYSA-N 0 3 389.250 2.399 20 5 GEBDHN [NH3+]C1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCCC1 ZINC000237846292 645445529 /nfs/dbraw/zinc/44/55/29/645445529.db2.gz BPRHFDLEZGXUQG-UHFFFAOYSA-N 0 3 392.275 2.297 20 5 GEBDHN COCCN1CCC(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000267443257 645902910 /nfs/dbraw/zinc/90/29/10/645902910.db2.gz DCFCEIOKHGMRKU-UHFFFAOYSA-N 0 3 386.246 2.198 20 5 GEBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000269469162 646037089 /nfs/dbraw/zinc/03/70/89/646037089.db2.gz KDPQZFAOLWMOKG-LLVKDONJSA-N 0 3 392.275 2.072 20 5 GEBDHN CS[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000330528118 647341972 /nfs/dbraw/zinc/34/19/72/647341972.db2.gz FCUGNVMHMLUCJM-STQMWFEESA-N 0 3 388.287 2.475 20 5 GEBDHN CN1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000378492943 647883149 /nfs/dbraw/zinc/88/31/49/647883149.db2.gz HZRKBTUANMKQTB-IAQYHMDHSA-N 0 3 382.258 2.452 20 5 GEBDHN CC1(C)[C@@H](O)C[C@@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000558490822 651280640 /nfs/dbraw/zinc/28/06/40/651280640.db2.gz IJMNCFJSFKJPNP-RYUDHWBXSA-N 0 3 376.194 2.448 20 5 GEBDHN CCS(=O)(=O)N(C)CCCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602510120 653187203 /nfs/dbraw/zinc/18/72/03/653187203.db2.gz KAHAGEWCSLOMMO-UHFFFAOYSA-N 0 3 383.392 2.375 20 5 GEBDHN Cc1cc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)ccc1Br ZINC000813100507 653462421 /nfs/dbraw/zinc/46/24/21/653462421.db2.gz TVEAOMWXFMVSSK-QWRGUYRKSA-N 0 3 385.214 2.319 20 5 GEBDHN O=[N+]([O-])c1cnn(CCN[C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)c1 ZINC000880219106 653700947 /nfs/dbraw/zinc/70/09/47/653700947.db2.gz VUSHJCYYVBXZLR-GASCZTMLSA-N 0 3 381.230 2.194 20 5 GEBDHN C[C@H]1C(=O)N(CCN(C)C)CN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000843429029 653786829 /nfs/dbraw/zinc/78/68/29/653786829.db2.gz QDGBEDYSYBSAHL-JTQLQIEISA-N 0 3 375.256 2.453 20 5 GEBDHN CC1(C)CCNCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000866803697 653828924 /nfs/dbraw/zinc/82/89/24/653828924.db2.gz YPJAKTWSABWDHV-UHFFFAOYSA-N 0 3 381.376 2.376 20 5 GEBDHN CCN1CCCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000822569608 653831783 /nfs/dbraw/zinc/83/17/83/653831783.db2.gz UVZRRYNQLNFLRV-JTQLQIEISA-N 0 3 385.262 2.496 20 5 GEBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000867810116 653990993 /nfs/dbraw/zinc/99/09/93/653990993.db2.gz XDBDAFCRTIGOMO-SKDRFNHKSA-N 0 3 377.825 2.102 20 5 GEBDHN CN1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000828122469 654025076 /nfs/dbraw/zinc/02/50/76/654025076.db2.gz NADLNXLVCGMTGX-HIFRSBDPSA-N 0 3 381.479 2.280 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC(Cc3ccc(Br)cc3)C2)c1 ZINC000899898316 654036127 /nfs/dbraw/zinc/03/61/27/654036127.db2.gz FLTRCYVVTGVIAL-MRXNPFEDSA-N 0 3 395.257 2.089 20 5 GEBDHN CC(C)(O)CN1CC[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000869778564 654122539 /nfs/dbraw/zinc/12/25/39/654122539.db2.gz DMZGAENDUWQGGA-LBPRGKRZSA-N 0 3 387.889 2.302 20 5 GEBDHN CN1C[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000907554170 654557359 /nfs/dbraw/zinc/55/73/59/654557359.db2.gz LDVNEUNFUJNXKY-OTYXRUKQSA-N 0 3 394.280 2.474 20 5 GEBDHN CN1C[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@]2(C)C1 ZINC000907565400 654558532 /nfs/dbraw/zinc/55/85/32/654558532.db2.gz UMBCOZCMTQGYJP-OTYXRUKQSA-N 0 3 394.280 2.474 20 5 GEBDHN CCN(CCC(=O)NC)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000933862721 654828644 /nfs/dbraw/zinc/82/86/44/654828644.db2.gz MWJIEKLIUZIRQR-UHFFFAOYSA-N 0 3 391.209 2.157 20 5 GEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@](C)(CO)c1cccc(Br)c1 ZINC000934494470 654851009 /nfs/dbraw/zinc/85/10/09/654851009.db2.gz PJUSVHVVKLAJDX-OAHLLOKOSA-N 0 3 383.246 2.360 20 5 GEBDHN O=[N+]([O-])c1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c2ccccc21 ZINC001164744347 720682378 /nfs/dbraw/zinc/68/23/78/720682378.db2.gz ZKUVMXKMKJJKFK-LSDHHAIUSA-N 0 3 392.419 2.275 20 5 GEBDHN O=C(COc1c(Br)cccc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000122825086 532084147 /nfs/dbraw/zinc/08/41/47/532084147.db2.gz FFSXSEZVYXUTRQ-UHFFFAOYSA-N 0 3 398.257 2.479 20 5 GEBDHN CN1CCN(CCCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000181800516 532306816 /nfs/dbraw/zinc/30/68/16/532306816.db2.gz WPFVGMHXMXAZEI-UHFFFAOYSA-N 0 3 386.905 2.094 20 5 GEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000184390705 532332727 /nfs/dbraw/zinc/33/27/27/532332727.db2.gz QRNXNNHPFMUANR-LBPRGKRZSA-N 0 3 399.289 2.113 20 5 GEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000375048770 532529763 /nfs/dbraw/zinc/52/97/63/532529763.db2.gz ZSEDUOARTYXKTK-DGCLKSJQSA-N 0 3 398.257 2.259 20 5 GEBDHN COc1cnccc1N1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000481059512 532665273 /nfs/dbraw/zinc/66/52/73/532665273.db2.gz MZJKNSMHBLKLDL-UHFFFAOYSA-N 0 3 394.229 2.483 20 5 GEBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000378290791 532689621 /nfs/dbraw/zinc/68/96/21/532689621.db2.gz YRUPCXFQMQXAQZ-NEPJUHHUSA-N 0 3 399.245 2.342 20 5 GEBDHN C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000440358312 532712440 /nfs/dbraw/zinc/71/24/40/532712440.db2.gz NGNGJTVMKZRMMV-NXEZZACHSA-N 0 3 392.275 2.024 20 5 GEBDHN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc1SC ZINC000270412610 532797947 /nfs/dbraw/zinc/79/79/47/532797947.db2.gz BLLAAZKAQGOFGQ-SWLSCSKDSA-N 0 3 385.511 2.443 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000287907793 532813243 /nfs/dbraw/zinc/81/32/43/532813243.db2.gz ZYZZSLNCJNGELN-MFKMUULPSA-N 0 3 382.360 2.068 20 5 GEBDHN COc1cc(CNC[C@@](C)(O)CSC)c([N+](=O)[O-])cc1OCC(F)F ZINC000272411188 532815234 /nfs/dbraw/zinc/81/52/34/532815234.db2.gz LAAGQGYXWJATMH-OAHLLOKOSA-N 0 3 380.413 2.451 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC23CC[NH2+]CC3)c(C(F)(F)F)c1 ZINC000367833019 532927876 /nfs/dbraw/zinc/92/78/76/532927876.db2.gz QKHVCJNFJUFRBX-LBPRGKRZSA-N 0 3 379.360 2.034 20 5 GEBDHN C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821614722 599081547 /nfs/dbraw/zinc/08/15/47/599081547.db2.gz SBEFCPXXSCNVJA-INIZCTEOSA-N 0 3 379.424 2.486 20 5 GEBDHN C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821614722 599081551 /nfs/dbraw/zinc/08/15/51/599081551.db2.gz SBEFCPXXSCNVJA-INIZCTEOSA-N 0 3 379.424 2.486 20 5 GEBDHN C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821614722 599081555 /nfs/dbraw/zinc/08/15/55/599081555.db2.gz SBEFCPXXSCNVJA-INIZCTEOSA-N 0 3 379.424 2.486 20 5 GEBDHN C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821614722 599081557 /nfs/dbraw/zinc/08/15/57/599081557.db2.gz SBEFCPXXSCNVJA-INIZCTEOSA-N 0 3 379.424 2.486 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(NC[C@@H]3CC[N@@H+](C4CC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000738366110 599273631 /nfs/dbraw/zinc/27/36/31/599273631.db2.gz CODYISVNDOGRQX-NSHDSACASA-N 0 3 380.412 2.219 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(NC[C@@H]3CC[N@H+](C4CC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000738366110 599273632 /nfs/dbraw/zinc/27/36/32/599273632.db2.gz CODYISVNDOGRQX-NSHDSACASA-N 0 3 380.412 2.219 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(NC[C@@H]3CC[N@@H+](C4CC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000738366110 599273633 /nfs/dbraw/zinc/27/36/33/599273633.db2.gz CODYISVNDOGRQX-NSHDSACASA-N 0 3 380.412 2.219 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(NC[C@@H]3CC[N@H+](C4CC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000738366110 599273634 /nfs/dbraw/zinc/27/36/34/599273634.db2.gz CODYISVNDOGRQX-NSHDSACASA-N 0 3 380.412 2.219 20 5 GEBDHN Cc1ccc(C[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1[N+](=O)[O-] ZINC000737343555 598466539 /nfs/dbraw/zinc/46/65/39/598466539.db2.gz XSEVNDNWNWFVMM-UHFFFAOYSA-N 0 3 394.439 2.237 20 5 GEBDHN Cc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1[N+](=O)[O-] ZINC000737343555 598466540 /nfs/dbraw/zinc/46/65/40/598466540.db2.gz XSEVNDNWNWFVMM-UHFFFAOYSA-N 0 3 394.439 2.237 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645542 599483545 /nfs/dbraw/zinc/48/35/45/599483545.db2.gz TUJJSJWUSOFKCK-RYUDHWBXSA-N 0 3 380.412 2.362 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645542 599483546 /nfs/dbraw/zinc/48/35/46/599483546.db2.gz TUJJSJWUSOFKCK-RYUDHWBXSA-N 0 3 380.412 2.362 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645542 599483548 /nfs/dbraw/zinc/48/35/48/599483548.db2.gz TUJJSJWUSOFKCK-RYUDHWBXSA-N 0 3 380.412 2.362 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645542 599483550 /nfs/dbraw/zinc/48/35/50/599483550.db2.gz TUJJSJWUSOFKCK-RYUDHWBXSA-N 0 3 380.412 2.362 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N3CC[C@H]([NH+]4CCCCC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645241 599545551 /nfs/dbraw/zinc/54/55/51/599545551.db2.gz QKVQXWNRWMYFDF-AWEZNQCLSA-N 0 3 394.439 2.388 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N3CC[C@H]([NH+]4CCCCC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645241 599545553 /nfs/dbraw/zinc/54/55/53/599545553.db2.gz QKVQXWNRWMYFDF-AWEZNQCLSA-N 0 3 394.439 2.388 20 5 GEBDHN CN(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821618964 606044102 /nfs/dbraw/zinc/04/41/02/606044102.db2.gz CYPZQQNDRHHILE-HNNXBMFYSA-N 0 3 394.439 2.271 20 5 GEBDHN CN(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821618964 606044105 /nfs/dbraw/zinc/04/41/05/606044105.db2.gz CYPZQQNDRHHILE-HNNXBMFYSA-N 0 3 394.439 2.271 20 5 GEBDHN CN(c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821618964 606044109 /nfs/dbraw/zinc/04/41/09/606044109.db2.gz CYPZQQNDRHHILE-HNNXBMFYSA-N 0 3 394.439 2.271 20 5 GEBDHN CN(c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821618964 606044114 /nfs/dbraw/zinc/04/41/14/606044114.db2.gz CYPZQQNDRHHILE-HNNXBMFYSA-N 0 3 394.439 2.271 20 5 GEBDHN CN(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821618965 606045313 /nfs/dbraw/zinc/04/53/13/606045313.db2.gz CYPZQQNDRHHILE-OAHLLOKOSA-N 0 3 394.439 2.271 20 5 GEBDHN CN(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821618965 606045319 /nfs/dbraw/zinc/04/53/19/606045319.db2.gz CYPZQQNDRHHILE-OAHLLOKOSA-N 0 3 394.439 2.271 20 5 GEBDHN CN(c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821618965 606045325 /nfs/dbraw/zinc/04/53/25/606045325.db2.gz CYPZQQNDRHHILE-OAHLLOKOSA-N 0 3 394.439 2.271 20 5 GEBDHN CN(c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821618965 606045332 /nfs/dbraw/zinc/04/53/32/606045332.db2.gz CYPZQQNDRHHILE-OAHLLOKOSA-N 0 3 394.439 2.271 20 5 GEBDHN CC(C)OCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000820145606 606163553 /nfs/dbraw/zinc/16/35/53/606163553.db2.gz BYOYHMMOEWHXOK-UHFFFAOYSA-N 0 3 375.433 2.076 20 5 GEBDHN CC(C)OCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000820145606 606163554 /nfs/dbraw/zinc/16/35/54/606163554.db2.gz BYOYHMMOEWHXOK-UHFFFAOYSA-N 0 3 375.433 2.076 20 5 GEBDHN O=[N+]([O-])c1cc(N2CCC[N@H+](Cc3ccccc3)CC2)ccc1-c1nnn[n-]1 ZINC000823634759 606645343 /nfs/dbraw/zinc/64/53/43/606645343.db2.gz LRHHXOZKSOECAL-UHFFFAOYSA-N 0 3 379.424 2.487 20 5 GEBDHN O=[N+]([O-])c1cc(N2CCC[N@@H+](Cc3ccccc3)CC2)ccc1-c1nnn[n-]1 ZINC000823634759 606645344 /nfs/dbraw/zinc/64/53/44/606645344.db2.gz LRHHXOZKSOECAL-UHFFFAOYSA-N 0 3 379.424 2.487 20 5 GEBDHN O=[N+]([O-])c1cc(N2CCC[N@H+](Cc3ccccc3)CC2)ccc1-c1nn[n-]n1 ZINC000823634759 606645345 /nfs/dbraw/zinc/64/53/45/606645345.db2.gz LRHHXOZKSOECAL-UHFFFAOYSA-N 0 3 379.424 2.487 20 5 GEBDHN O=[N+]([O-])c1cc(N2CCC[N@@H+](Cc3ccccc3)CC2)ccc1-c1nn[n-]n1 ZINC000823634759 606645346 /nfs/dbraw/zinc/64/53/46/606645346.db2.gz LRHHXOZKSOECAL-UHFFFAOYSA-N 0 3 379.424 2.487 20 5 GEBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000116347571 643458806 /nfs/dbraw/zinc/45/88/06/643458806.db2.gz JRUKFYZNZWAPRT-SNVBAGLBSA-N 0 3 392.275 2.072 20 5 GEBDHN Cc1c(Br)cc(C(=O)NCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000163079858 644247579 /nfs/dbraw/zinc/24/75/79/644247579.db2.gz UWYDPRQLTDLMFP-UHFFFAOYSA-N 0 3 399.289 2.033 20 5 GEBDHN C[C@@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000237473452 645433306 /nfs/dbraw/zinc/43/33/06/645433306.db2.gz SSSALKVADSPMLJ-RKDXNWHRSA-N 0 3 389.193 2.022 20 5 GEBDHN C[C@@H]1NCCN(C(=O)c2cc([N+](=O)[O-])ccc2I)[C@H]1C ZINC000277453092 646423518 /nfs/dbraw/zinc/42/35/18/646423518.db2.gz GPHABGXCWMVCRZ-IUCAKERBSA-N 0 3 389.193 2.022 20 5 GEBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000277453086 646423541 /nfs/dbraw/zinc/42/35/41/646423541.db2.gz GPHABGXCWMVCRZ-DTWKUNHWSA-N 0 3 389.193 2.022 20 5 GEBDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000558764289 651284566 /nfs/dbraw/zinc/28/45/66/651284566.db2.gz JTFRNVBBQNRCDI-UHFFFAOYSA-N 0 3 396.245 2.284 20 5 GEBDHN O=[N+]([O-])c1cncc(Br)c1NC1CCN(C[C@H]2CCCO2)CC1 ZINC000766392272 652878567 /nfs/dbraw/zinc/87/85/67/652878567.db2.gz NJZVFGJOQOCHGN-GFCCVEGCSA-N 0 3 385.262 2.230 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC000599666928 652883008 /nfs/dbraw/zinc/88/30/08/652883008.db2.gz OYCHJRSMIYBFJZ-LSDHHAIUSA-N 0 3 389.239 2.172 20 5 GEBDHN CCN(CCCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000602519319 653187327 /nfs/dbraw/zinc/18/73/27/653187327.db2.gz XWTGKMGCIPQZRI-UHFFFAOYSA-N 0 3 383.392 2.375 20 5 GEBDHN CN(C)C1(CN(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1 ZINC000809836533 653307635 /nfs/dbraw/zinc/30/76/35/653307635.db2.gz MXDIDGKBVBUUMF-UHFFFAOYSA-N 0 3 379.841 2.492 20 5 GEBDHN Cc1ccc(N2CC(CN3CCN(C)CC3)C2)c([N+](=O)[O-])c1Br ZINC000858610588 653369958 /nfs/dbraw/zinc/36/99/58/653369958.db2.gz DDGWHOSRPWRNRQ-UHFFFAOYSA-N 0 3 383.290 2.349 20 5 GEBDHN Cc1ccc(N2CN(CCN(C)C)C(=O)[C@@H]2C)c([N+](=O)[O-])c1Br ZINC000826684929 653957616 /nfs/dbraw/zinc/95/76/16/653957616.db2.gz BNALWSUNCZIONE-NSHDSACASA-N 0 3 385.262 2.222 20 5 GEBDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795887479 653975181 /nfs/dbraw/zinc/97/51/81/653975181.db2.gz AMUVKGCGWBCIJV-ZWNOBZJWSA-N 0 3 391.852 2.492 20 5 GEBDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795887478 653975241 /nfs/dbraw/zinc/97/52/41/653975241.db2.gz AMUVKGCGWBCIJV-MFKMUULPSA-N 0 3 391.852 2.492 20 5 GEBDHN CN1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000867810106 653991070 /nfs/dbraw/zinc/99/10/70/653991070.db2.gz WYMGDUOYHVJVEH-CABZTGNLSA-N 0 3 377.825 2.102 20 5 GEBDHN CCOC(=O)C1CCN(C2CCN(c3nc(Cl)ncc3[N+](=O)[O-])CC2)CC1 ZINC001164620935 719021659 /nfs/dbraw/zinc/02/16/59/719021659.db2.gz ZTGRHTBIGJVKMP-UHFFFAOYSA-N 0 3 397.863 2.282 20 5 GEBDHN O=[N+]([O-])c1ccc2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2c1 ZINC001164738875 720671284 /nfs/dbraw/zinc/67/12/84/720671284.db2.gz LESSYGGQGCKQQB-IAGOWNOFSA-N 0 3 392.419 2.275 20 5 GEBDHN O=[N+]([O-])c1cccc2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc21 ZINC001164736679 720685625 /nfs/dbraw/zinc/68/56/25/720685625.db2.gz AKPZASOTNVVSOL-CVEARBPZSA-N 0 3 392.419 2.275 20 5 GEBDHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5ccc([N+](=O)[O-])cc54)C[C@H]3C2)cn1 ZINC001164766395 721116181 /nfs/dbraw/zinc/11/61/81/721116181.db2.gz KYWGFNSBEMYPIR-JKSUJKDBSA-N 0 3 393.451 2.230 20 5 GEBDHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982806 722101023 /nfs/dbraw/zinc/10/10/23/722101023.db2.gz PEHAQPRLMBULJF-HKUYNNGSSA-N 0 3 383.452 2.421 20 5 GEBDHN CN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000171275245 531903117 /nfs/dbraw/zinc/90/31/17/531903117.db2.gz YMCOYBFJWQJONJ-JTQLQIEISA-N 0 3 389.193 2.023 20 5 GEBDHN [NH3+]C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000124541387 532123257 /nfs/dbraw/zinc/12/32/57/532123257.db2.gz MMDRAQWJGYIPID-NOZJJQNGSA-N 0 3 392.275 2.153 20 5 GEBDHN CCN1CCN(CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000182965908 532320275 /nfs/dbraw/zinc/32/02/75/532320275.db2.gz GEBHOOTWEOCOJI-UHFFFAOYSA-N 0 3 386.905 2.094 20 5 GEBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1sc(Br)cc1[N+](=O)[O-] ZINC000373113883 532433318 /nfs/dbraw/zinc/43/33/18/532433318.db2.gz WKAHFHHGYPANPF-DTWKUNHWSA-N 0 3 390.259 2.012 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCOc3c(Br)cccc32)c1 ZINC000282048455 532441840 /nfs/dbraw/zinc/44/18/40/532441840.db2.gz LWCLDQPBGDUMBG-FZMZJTMJSA-N 0 3 397.229 2.028 20 5 GEBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(SC)CCN(C)CC1 ZINC000521319629 532511700 /nfs/dbraw/zinc/51/17/00/532511700.db2.gz DTGQPSOHTFDYQS-UHFFFAOYSA-N 0 3 387.527 2.263 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCc3c2ccc(F)c3Br)c1 ZINC000565946597 532585601 /nfs/dbraw/zinc/58/56/01/532585601.db2.gz YFXUWNNJZFMUGY-YGRLFVJLSA-N 0 3 399.220 2.331 20 5 GEBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000566646819 532622183 /nfs/dbraw/zinc/62/21/83/532622183.db2.gz CUVOAPWVQGYGSL-LLVKDONJSA-N 0 3 377.438 2.141 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](c2cncc(Br)c2)C2CC2)c1 ZINC000284879265 532629043 /nfs/dbraw/zinc/62/90/43/532629043.db2.gz SWMHERJKQLUOFB-LSDHHAIUSA-N 0 3 396.245 2.051 20 5 GEBDHN CN(C)C[C@H]1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000264938891 532684718 /nfs/dbraw/zinc/68/47/18/532684718.db2.gz HKVLWILCJHMUPN-SNVBAGLBSA-N 0 3 381.376 2.276 20 5 GEBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[C@H]1N1CCN(C)CC1 ZINC000378320577 532690688 /nfs/dbraw/zinc/69/06/88/532690688.db2.gz UZHBRNGIIROANE-IUODEOHRSA-N 0 3 398.305 2.215 20 5 GEBDHN CC(C)C[C@@](C)(C[NH3+])[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440412246 532712795 /nfs/dbraw/zinc/71/27/95/532712795.db2.gz KDCJYUHLHIVVGW-ZDUSSCGKSA-N 0 3 394.291 2.399 20 5 GEBDHN CSC1(CNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CCN(C)CC1 ZINC000579532204 532742155 /nfs/dbraw/zinc/74/21/55/532742155.db2.gz QCWHZYOZXQTUIV-UHFFFAOYSA-N 0 3 387.527 2.317 20 5 GEBDHN CN(C[C@@H](O)CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000289490167 532856984 /nfs/dbraw/zinc/85/69/84/532856984.db2.gz YXODAGVJWCIDBN-GFCCVEGCSA-N 0 3 384.274 2.171 20 5 GEBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000367492580 532925776 /nfs/dbraw/zinc/92/57/76/532925776.db2.gz IQLDJCKJEJEOFX-TZMCWYRMSA-N 0 3 399.245 2.342 20 5 GEBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000371696832 532949427 /nfs/dbraw/zinc/94/94/27/532949427.db2.gz QGJUMGMIXLFSCP-CHWSQXEVSA-N 0 3 385.873 2.320 20 5 GEBDHN CCC[N@H+](C)C[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821088658 599093831 /nfs/dbraw/zinc/09/38/31/599093831.db2.gz RJZGAIDMQBMZGT-ZDUSSCGKSA-N 0 3 396.455 2.491 20 5 GEBDHN CCC[N@@H+](C)C[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821088658 599093834 /nfs/dbraw/zinc/09/38/34/599093834.db2.gz RJZGAIDMQBMZGT-ZDUSSCGKSA-N 0 3 396.455 2.491 20 5 GEBDHN CCC[N@H+](C)C[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821088658 599093837 /nfs/dbraw/zinc/09/38/37/599093837.db2.gz RJZGAIDMQBMZGT-ZDUSSCGKSA-N 0 3 396.455 2.491 20 5 GEBDHN CCC[N@@H+](C)C[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821088658 599093839 /nfs/dbraw/zinc/09/38/39/599093839.db2.gz RJZGAIDMQBMZGT-ZDUSSCGKSA-N 0 3 396.455 2.491 20 5 GEBDHN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821597870 599107232 /nfs/dbraw/zinc/10/72/32/599107232.db2.gz JYRBWHZXJBRFRS-HNNXBMFYSA-N 0 3 394.439 2.128 20 5 GEBDHN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821597870 599107235 /nfs/dbraw/zinc/10/72/35/599107235.db2.gz JYRBWHZXJBRFRS-HNNXBMFYSA-N 0 3 394.439 2.128 20 5 GEBDHN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821597870 599107238 /nfs/dbraw/zinc/10/72/38/599107238.db2.gz JYRBWHZXJBRFRS-HNNXBMFYSA-N 0 3 394.439 2.128 20 5 GEBDHN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821597870 599107243 /nfs/dbraw/zinc/10/72/43/599107243.db2.gz JYRBWHZXJBRFRS-HNNXBMFYSA-N 0 3 394.439 2.128 20 5 GEBDHN CC[NH+]1CCC(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821255039 606198351 /nfs/dbraw/zinc/19/83/51/606198351.db2.gz SKAQODBNNOGSRV-UHFFFAOYSA-N 0 3 382.428 2.467 20 5 GEBDHN CC[NH+]1CCC(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821255039 606198352 /nfs/dbraw/zinc/19/83/52/606198352.db2.gz SKAQODBNNOGSRV-UHFFFAOYSA-N 0 3 382.428 2.467 20 5 GEBDHN C[NH+](C)CCN(Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821586425 607114622 /nfs/dbraw/zinc/11/46/22/607114622.db2.gz XNWZNZUGKGZJMF-UHFFFAOYSA-N 0 3 385.403 2.482 20 5 GEBDHN C[NH+](C)CCN(Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821586425 607114623 /nfs/dbraw/zinc/11/46/23/607114623.db2.gz XNWZNZUGKGZJMF-UHFFFAOYSA-N 0 3 385.403 2.482 20 5 GEBDHN CCC[N@@H+]1CC[C@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825328368 608373280 /nfs/dbraw/zinc/37/32/80/608373280.db2.gz QRZBZVWTZOFJCI-GFCCVEGCSA-N 0 3 382.428 2.467 20 5 GEBDHN CCC[N@H+]1CC[C@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825328368 608373281 /nfs/dbraw/zinc/37/32/81/608373281.db2.gz QRZBZVWTZOFJCI-GFCCVEGCSA-N 0 3 382.428 2.467 20 5 GEBDHN CCC[N@@H+]1CC[C@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825328368 608373283 /nfs/dbraw/zinc/37/32/83/608373283.db2.gz QRZBZVWTZOFJCI-GFCCVEGCSA-N 0 3 382.428 2.467 20 5 GEBDHN CCC[N@H+]1CC[C@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825328368 608373286 /nfs/dbraw/zinc/37/32/86/608373286.db2.gz QRZBZVWTZOFJCI-GFCCVEGCSA-N 0 3 382.428 2.467 20 5 GEBDHN CN1CCN(CCCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000531426218 650738260 /nfs/dbraw/zinc/73/82/60/650738260.db2.gz KMHXJEDBXMCSQA-UHFFFAOYSA-N 0 3 399.289 2.115 20 5 GEBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000151616167 643949982 /nfs/dbraw/zinc/94/99/82/643949982.db2.gz WLRQXZIOXNZRNG-CQSZACIVSA-N 0 3 397.273 2.100 20 5 GEBDHN C[C@H]1NCCN(C(=O)c2cc([N+](=O)[O-])ccc2I)[C@H]1C ZINC000277453079 646423464 /nfs/dbraw/zinc/42/34/64/646423464.db2.gz GPHABGXCWMVCRZ-BDAKNGLRSA-N 0 3 389.193 2.022 20 5 GEBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000609440104 651619447 /nfs/dbraw/zinc/61/94/47/651619447.db2.gz HGABHEZYLJPJCH-JTQLQIEISA-N 0 3 394.291 2.366 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cc(Cl)ccc2OC(F)F)c1 ZINC000567683300 651634333 /nfs/dbraw/zinc/63/43/33/651634333.db2.gz LJYQBPSNVXGZMC-LBPRGKRZSA-N 0 3 376.747 2.197 20 5 GEBDHN CS[C@@H](CO)[C@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000571452469 651833403 /nfs/dbraw/zinc/83/34/03/651833403.db2.gz QIJOWDPPMMGPPJ-UFBFGSQYSA-N 0 3 396.250 2.401 20 5 GEBDHN CSC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN(C)CC1 ZINC000577029247 652163645 /nfs/dbraw/zinc/16/36/45/652163645.db2.gz WQIQVVDALRXNDL-UHFFFAOYSA-N 0 3 393.918 2.354 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CSc3ccc(Br)cc32)c1 ZINC000582541384 652454539 /nfs/dbraw/zinc/45/45/39/652454539.db2.gz ASDCKMAEIKQZTH-WCQYABFASA-N 0 3 399.270 2.351 20 5 GEBDHN CS(=O)(=O)N1CC[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000582969303 652469203 /nfs/dbraw/zinc/46/92/03/652469203.db2.gz XVAFLVVOANTMMG-GFCCVEGCSA-N 0 3 381.479 2.447 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000757675983 652520338 /nfs/dbraw/zinc/52/03/38/652520338.db2.gz QCNPSCBVLUJWCB-ILXRZTDVSA-N 0 3 388.536 2.338 20 5 GEBDHN CN1CCN(CCCCNC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000760790310 652624070 /nfs/dbraw/zinc/62/40/70/652624070.db2.gz UPGGKXVUOSTAKT-UHFFFAOYSA-N 0 3 399.289 2.115 20 5 GEBDHN CN1CCN(CCCCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599062507 652847175 /nfs/dbraw/zinc/84/71/75/652847175.db2.gz XIUBJXHIVXCXJP-UHFFFAOYSA-N 0 3 399.289 2.115 20 5 GEBDHN O=[N+]([O-])c1cncc(Br)c1NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000766392273 652878429 /nfs/dbraw/zinc/87/84/29/652878429.db2.gz NJZVFGJOQOCHGN-LBPRGKRZSA-N 0 3 385.262 2.230 20 5 GEBDHN CS[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@@H]1N1CCCC1 ZINC000601145891 652956211 /nfs/dbraw/zinc/95/62/11/652956211.db2.gz VASFGWIBSUDUNY-VHSXEESVSA-N 0 3 379.408 2.363 20 5 GEBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)[N+](=O)[O-] ZINC000813105998 653462971 /nfs/dbraw/zinc/46/29/71/653462971.db2.gz XGJSBLGBVBOITA-GWCFXTLKSA-N 0 3 385.214 2.262 20 5 GEBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815028132 653645602 /nfs/dbraw/zinc/64/56/02/653645602.db2.gz RMJSBHYEBKHOCE-GWCFXTLKSA-N 0 3 391.852 2.492 20 5 GEBDHN O=[N+]([O-])c1cccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1Br ZINC000839481966 653651049 /nfs/dbraw/zinc/65/10/49/653651049.db2.gz VVBFWBCPKZLXID-HIFRSBDPSA-N 0 3 384.274 2.388 20 5 GEBDHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000784723256 653698993 /nfs/dbraw/zinc/69/89/93/653698993.db2.gz DYVSCVYCRPLDFJ-VXGBXAGGSA-N 0 3 392.275 2.118 20 5 GEBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000867308663 653913004 /nfs/dbraw/zinc/91/30/04/653913004.db2.gz MOIUFNFEQIAVBD-CABZTGNLSA-N 0 3 392.275 2.070 20 5 GEBDHN CN(CC(=O)N[C@@H]1CCN(C2CC2)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000795563011 653959029 /nfs/dbraw/zinc/95/90/29/653959029.db2.gz MOHXREIXGSUTOH-GFCCVEGCSA-N 0 3 397.273 2.146 20 5 GEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000829564416 654072413 /nfs/dbraw/zinc/07/24/13/654072413.db2.gz YKQWEIXHRLTWAB-WDEREUQCSA-N 0 3 383.246 2.248 20 5 GEBDHN O=C(NC[C@H]1CCN1C1CCOCC1)c1cccc([N+](=O)[O-])c1Br ZINC000900719336 654077905 /nfs/dbraw/zinc/07/79/05/654077905.db2.gz GOUCLFKYXYYVCH-GFCCVEGCSA-N 0 3 398.257 2.340 20 5 GEBDHN CN1CCN(CC2CN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000854644630 654372733 /nfs/dbraw/zinc/37/27/33/654372733.db2.gz QMUDVEDPALSGLY-UHFFFAOYSA-N 0 3 387.267 2.221 20 5 GEBDHN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)CCN1C ZINC000928437254 654647226 /nfs/dbraw/zinc/64/72/26/654647226.db2.gz BTGCZAKJVNVIFM-QPUJVOFHSA-N 0 3 389.193 2.022 20 5 GEBDHN O=[N+]([O-])c1cccc2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)ccc21 ZINC001164736702 720689716 /nfs/dbraw/zinc/68/97/16/720689716.db2.gz AMZKWIUGPZGYTK-GJZGRUSLSA-N 0 3 392.419 2.275 20 5 GEBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000152597449 531560336 /nfs/dbraw/zinc/56/03/36/531560336.db2.gz COXWGIJXMXIMNE-ZDUSSCGKSA-N 0 3 394.653 2.053 20 5 GEBDHN CCN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000159807613 531795558 /nfs/dbraw/zinc/79/55/58/531795558.db2.gz SXJBXLCDOGJORL-UHFFFAOYSA-N 0 3 399.289 2.115 20 5 GEBDHN CN1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000163349609 531857328 /nfs/dbraw/zinc/85/73/28/531857328.db2.gz JRQAGBRDJHXAGM-SNVBAGLBSA-N 0 3 381.376 2.234 20 5 GEBDHN CN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000171275237 531902461 /nfs/dbraw/zinc/90/24/61/531902461.db2.gz YMCOYBFJWQJONJ-SNVBAGLBSA-N 0 3 389.193 2.023 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC2(c3ccc(Br)cc3)CC2)c1 ZINC000173273492 532000635 /nfs/dbraw/zinc/00/06/35/532000635.db2.gz KOSUYTZCRGWAQD-AWEZNQCLSA-N 0 3 381.230 2.194 20 5 GEBDHN COc1ccc([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Br ZINC000174693047 532074679 /nfs/dbraw/zinc/07/46/79/532074679.db2.gz OCSWXXHPLGIEME-GWCFXTLKSA-N 0 3 399.245 2.274 20 5 GEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000184382123 532332649 /nfs/dbraw/zinc/33/26/49/532332649.db2.gz UYHIQSDFASORHY-LBPRGKRZSA-N 0 3 399.289 2.113 20 5 GEBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000590590145 532378259 /nfs/dbraw/zinc/37/82/59/532378259.db2.gz TZEYDUIOYDZEJM-GXSJLCMTSA-N 0 3 392.275 2.070 20 5 GEBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CC[C@@H](CO)C2)c1 ZINC000295015501 532396167 /nfs/dbraw/zinc/39/61/67/532396167.db2.gz JYJHREIZWKUTLR-SKDRFNHKSA-N 0 3 376.194 2.450 20 5 GEBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597695120 532624330 /nfs/dbraw/zinc/62/43/30/532624330.db2.gz QKZNCBUOIOFMKN-GJZGRUSLSA-N 0 3 398.257 2.293 20 5 GEBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1F ZINC000285539189 532688730 /nfs/dbraw/zinc/68/87/30/532688730.db2.gz FWSYUXNWWBTJKB-JOYOIKCWSA-N 0 3 387.209 2.405 20 5 GEBDHN O=C(CN[C@H]1CCC[C@@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000502856016 532742677 /nfs/dbraw/zinc/74/26/77/532742677.db2.gz NKTCMGXDQGKOAI-MFKMUULPSA-N 0 3 386.246 2.437 20 5 GEBDHN O=C(CN1CCCC1)N1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301650854 532756332 /nfs/dbraw/zinc/75/63/32/532756332.db2.gz GCYSGANNVQPYSQ-UHFFFAOYSA-N 0 3 397.273 2.102 20 5 GEBDHN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H]1CNCCC1(F)F ZINC000415699705 532853897 /nfs/dbraw/zinc/85/38/97/532853897.db2.gz KAGUQCSBRJXVEG-JTQLQIEISA-N 0 3 379.161 2.476 20 5 GEBDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290340504 532878741 /nfs/dbraw/zinc/87/87/41/532878741.db2.gz BMENQXNIMAKHOK-UHFFFAOYSA-N 0 3 379.841 2.350 20 5 GEBDHN NC(=O)[C@@H]1CCCN1CCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290801763 532889767 /nfs/dbraw/zinc/88/97/67/532889767.db2.gz FHSPJSBJVOVLDB-ZDUSSCGKSA-N 0 3 375.256 2.331 20 5 GEBDHN CCOCCC[N@@H+]1CC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000736616300 599063294 /nfs/dbraw/zinc/06/32/94/599063294.db2.gz QVOOWXNZJVKMCI-HIFRSBDPSA-N 0 3 389.460 2.324 20 5 GEBDHN CCOCCC[N@H+]1CC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000736616300 599063297 /nfs/dbraw/zinc/06/32/97/599063297.db2.gz QVOOWXNZJVKMCI-HIFRSBDPSA-N 0 3 389.460 2.324 20 5 GEBDHN CCOCCC[N@@H+]1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000736616300 599063300 /nfs/dbraw/zinc/06/33/00/599063300.db2.gz QVOOWXNZJVKMCI-HIFRSBDPSA-N 0 3 389.460 2.324 20 5 GEBDHN CCOCCC[N@H+]1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000736616300 599063303 /nfs/dbraw/zinc/06/33/03/599063303.db2.gz QVOOWXNZJVKMCI-HIFRSBDPSA-N 0 3 389.460 2.324 20 5 GEBDHN CC[NH+](CC)[C@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821180345 599095277 /nfs/dbraw/zinc/09/52/77/599095277.db2.gz BRLQZHJCHUSWCU-ZDUSSCGKSA-N 0 3 382.428 2.244 20 5 GEBDHN CC[NH+](CC)[C@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821180345 599095281 /nfs/dbraw/zinc/09/52/81/599095281.db2.gz BRLQZHJCHUSWCU-ZDUSSCGKSA-N 0 3 382.428 2.244 20 5 GEBDHN CC1CC[NH+](C[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)CC1 ZINC000736275920 598500442 /nfs/dbraw/zinc/50/04/42/598500442.db2.gz LIFZFFRCJQLQKN-CQSZACIVSA-N 0 3 386.460 2.118 20 5 GEBDHN CC1CC[NH+](C[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)CC1 ZINC000736275920 598500444 /nfs/dbraw/zinc/50/04/44/598500444.db2.gz LIFZFFRCJQLQKN-CQSZACIVSA-N 0 3 386.460 2.118 20 5 GEBDHN C[C@H]1CCC[N@H+](CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820711341 606453433 /nfs/dbraw/zinc/45/34/33/606453433.db2.gz WRWZZUMAFRHISX-LBPRGKRZSA-N 0 3 382.428 2.467 20 5 GEBDHN C[C@H]1CCC[N@@H+](CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820711341 606453434 /nfs/dbraw/zinc/45/34/34/606453434.db2.gz WRWZZUMAFRHISX-LBPRGKRZSA-N 0 3 382.428 2.467 20 5 GEBDHN C[C@H]1CCC[N@H+](CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820711341 606453436 /nfs/dbraw/zinc/45/34/36/606453436.db2.gz WRWZZUMAFRHISX-LBPRGKRZSA-N 0 3 382.428 2.467 20 5 GEBDHN C[C@H]1CCC[N@@H+](CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820711341 606453438 /nfs/dbraw/zinc/45/34/38/606453438.db2.gz WRWZZUMAFRHISX-LBPRGKRZSA-N 0 3 382.428 2.467 20 5 GEBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[N@@H+]1Cc1ccccc1 ZINC000820668967 606875513 /nfs/dbraw/zinc/87/55/13/606875513.db2.gz XUESLICNYSKIKI-TZMCWYRMSA-N 0 3 380.412 2.245 20 5 GEBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[N@H+]1Cc1ccccc1 ZINC000820668967 606875515 /nfs/dbraw/zinc/87/55/15/606875515.db2.gz XUESLICNYSKIKI-TZMCWYRMSA-N 0 3 380.412 2.245 20 5 GEBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[N@@H+]1Cc1ccccc1 ZINC000820668967 606875517 /nfs/dbraw/zinc/87/55/17/606875517.db2.gz XUESLICNYSKIKI-TZMCWYRMSA-N 0 3 380.412 2.245 20 5 GEBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[N@H+]1Cc1ccccc1 ZINC000820668967 606875519 /nfs/dbraw/zinc/87/55/19/606875519.db2.gz XUESLICNYSKIKI-TZMCWYRMSA-N 0 3 380.412 2.245 20 5 GEBDHN CC(C)OCC[NH+]1CCC(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000824315780 607842746 /nfs/dbraw/zinc/84/27/46/607842746.db2.gz YNRLZPNLPOEQRI-UHFFFAOYSA-N 0 3 375.433 2.076 20 5 GEBDHN CC(C)OCC[NH+]1CCC(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000824315780 607842747 /nfs/dbraw/zinc/84/27/47/607842747.db2.gz YNRLZPNLPOEQRI-UHFFFAOYSA-N 0 3 375.433 2.076 20 5 GEBDHN CC[N@@H+]1C[C@@H](C)N(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000825450559 608232162 /nfs/dbraw/zinc/23/21/62/608232162.db2.gz AUXCDNVBQOAQRT-VXGBXAGGSA-N 0 3 382.428 2.242 20 5 GEBDHN CC[N@H+]1C[C@@H](C)N(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000825450559 608232164 /nfs/dbraw/zinc/23/21/64/608232164.db2.gz AUXCDNVBQOAQRT-VXGBXAGGSA-N 0 3 382.428 2.242 20 5 GEBDHN CC[N@@H+]1C[C@@H](C)N(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000825450559 608232166 /nfs/dbraw/zinc/23/21/66/608232166.db2.gz AUXCDNVBQOAQRT-VXGBXAGGSA-N 0 3 382.428 2.242 20 5 GEBDHN CC[N@H+]1C[C@@H](C)N(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000825450559 608232168 /nfs/dbraw/zinc/23/21/68/608232168.db2.gz AUXCDNVBQOAQRT-VXGBXAGGSA-N 0 3 382.428 2.242 20 5 GEBDHN CC[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825139301 608552169 /nfs/dbraw/zinc/55/21/69/608552169.db2.gz DNBFVTDLBLQKLE-WMZOPIPTSA-N 0 3 398.423 2.256 20 5 GEBDHN CNS(=O)(=O)c1ccc(NC[C@H](c2cccs2)N(C)C)c([N+](=O)[O-])c1 ZINC000015171318 642378998 /nfs/dbraw/zinc/37/89/98/642378998.db2.gz HNWLBAPNYNGRBB-CQSZACIVSA-N 0 3 384.483 2.279 20 5 GEBDHN CCS(=O)(=O)NCCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113331338 643395028 /nfs/dbraw/zinc/39/50/28/643395028.db2.gz NAESEHSQLJUMHY-UHFFFAOYSA-N 0 3 384.483 2.137 20 5 GEBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000158148638 644141341 /nfs/dbraw/zinc/14/13/41/644141341.db2.gz GRGTWUWLHNAZIC-JTQLQIEISA-N 0 3 394.291 2.366 20 5 GEBDHN [NH3+]C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCCC1 ZINC000194773254 645347753 /nfs/dbraw/zinc/34/77/53/645347753.db2.gz JAYBUCXNMZVRJJ-NSHDSACASA-N 0 3 392.275 2.153 20 5 GEBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000362202936 647568298 /nfs/dbraw/zinc/56/82/98/647568298.db2.gz WKNRZZKEKFLPON-CQSZACIVSA-N 0 3 398.257 2.340 20 5 GEBDHN CSC1(CNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CCN(C)CC1 ZINC000416485005 648143931 /nfs/dbraw/zinc/14/39/31/648143931.db2.gz YERQLZNWFCNQCF-UHFFFAOYSA-N 0 3 387.527 2.317 20 5 GEBDHN NC(=O)C[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000425432617 648677115 /nfs/dbraw/zinc/67/71/15/648677115.db2.gz LECHSEAXZIGRPS-CYBMUJFWSA-N 0 3 386.246 2.118 20 5 GEBDHN C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)CCN1C ZINC000719385452 651476119 /nfs/dbraw/zinc/47/61/19/651476119.db2.gz HCUURWVLRLGADB-PRHODGIISA-N 0 3 389.193 2.022 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cc(Cl)ccc2OC(F)F)c1 ZINC000567683299 651634353 /nfs/dbraw/zinc/63/43/53/651634353.db2.gz LJYQBPSNVXGZMC-GFCCVEGCSA-N 0 3 376.747 2.197 20 5 GEBDHN C[C@@](O)(CO)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000619464306 652059562 /nfs/dbraw/zinc/05/95/62/652059562.db2.gz PRWISBXSFYEOAB-HNNXBMFYSA-N 0 3 385.214 2.450 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCC[NH2+]2)c(Br)c1 ZINC000581488810 652415173 /nfs/dbraw/zinc/41/51/73/652415173.db2.gz ZMBVWDJXJDDKOM-JTQLQIEISA-N 0 3 392.275 2.168 20 5 GEBDHN CCCNC(=O)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589310702 652565456 /nfs/dbraw/zinc/56/54/56/652565456.db2.gz LHZPMTKRLQALRD-UHFFFAOYSA-N 0 3 391.209 2.205 20 5 GEBDHN CC[C@H](CC(F)F)CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595545849 652733902 /nfs/dbraw/zinc/73/39/02/652733902.db2.gz KJAVMVDFTNPCLU-GFCCVEGCSA-N 0 3 379.429 2.486 20 5 GEBDHN CC[C@@H](CC(F)F)CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595545850 652733980 /nfs/dbraw/zinc/73/39/80/652733980.db2.gz KJAVMVDFTNPCLU-LBPRGKRZSA-N 0 3 379.429 2.486 20 5 GEBDHN CC1(C)CNCCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000701034708 653318996 /nfs/dbraw/zinc/31/89/96/653318996.db2.gz OZVCIFFPYNHVTJ-UHFFFAOYSA-N 0 3 389.193 2.023 20 5 GEBDHN CS(=O)(=O)N1CCC(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811472602 653393938 /nfs/dbraw/zinc/39/39/38/653393938.db2.gz HIVVQHWQYXVUMI-UHFFFAOYSA-N 0 3 382.269 2.415 20 5 GEBDHN CC(COC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)[N+](=O)[O-] ZINC000813112131 653463669 /nfs/dbraw/zinc/46/36/69/653463669.db2.gz BYKFMBJWGIIOLO-MRVPVSSYSA-N 0 3 383.451 2.327 20 5 GEBDHN CN1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c2cnccc21 ZINC000815024080 653645167 /nfs/dbraw/zinc/64/51/67/653645167.db2.gz RSSUZIUJURYCNB-UHFFFAOYSA-N 0 3 386.792 2.427 20 5 GEBDHN COC[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(Br)c1 ZINC000879662735 653677921 /nfs/dbraw/zinc/67/79/21/653677921.db2.gz JZIIZQOHFROKCD-HNNXBMFYSA-N 0 3 396.241 2.496 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC(Cc3ccc(Br)cc3)C2)c1 ZINC000899898315 654036073 /nfs/dbraw/zinc/03/60/73/654036073.db2.gz FLTRCYVVTGVIAL-INIZCTEOSA-N 0 3 395.257 2.089 20 5 GEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@](C)(CO)c1cccc(Br)c1 ZINC000934494468 654850977 /nfs/dbraw/zinc/85/09/77/654850977.db2.gz PJUSVHVVKLAJDX-HNNXBMFYSA-N 0 3 383.246 2.360 20 5 GEBDHN O=[N+]([O-])c1ccc2ccnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164746381 720748265 /nfs/dbraw/zinc/74/82/65/720748265.db2.gz XSNDYZLFGXYOEY-IAGOWNOFSA-N 0 3 392.419 2.275 20 5 GEBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000131228757 532194581 /nfs/dbraw/zinc/19/45/81/532194581.db2.gz QZFYSHWUPIHVQY-JTQLQIEISA-N 0 3 392.275 2.072 20 5 GEBDHN CN(Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000591242849 532402609 /nfs/dbraw/zinc/40/26/09/532402609.db2.gz MYHFIAGLWGXUQW-AWEZNQCLSA-N 0 3 396.241 2.012 20 5 GEBDHN C[NH+](C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000594476766 532509485 /nfs/dbraw/zinc/50/94/85/532509485.db2.gz ZITHMEBDOKWEHS-JGZJWPJOSA-N 0 3 381.376 2.232 20 5 GEBDHN CCC[N@H+](CC)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000474187370 532609642 /nfs/dbraw/zinc/60/96/42/532609642.db2.gz DEWTVBZCTIBXDE-UHFFFAOYSA-N 0 3 394.291 2.368 20 5 GEBDHN CCC[N@@H+](CC)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000474187370 532609647 /nfs/dbraw/zinc/60/96/47/532609647.db2.gz DEWTVBZCTIBXDE-UHFFFAOYSA-N 0 3 394.291 2.368 20 5 GEBDHN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCCN3CCC[C@H]3C2)c1 ZINC000376644990 532622802 /nfs/dbraw/zinc/62/28/02/532622802.db2.gz SUMSFXNYDGFURK-JTQLQIEISA-N 0 3 377.825 2.246 20 5 GEBDHN [NH3+][C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000567862120 532666787 /nfs/dbraw/zinc/66/67/87/532666787.db2.gz NAEYOPSHOSJHOP-KOLCDFICSA-N 0 3 392.275 2.153 20 5 GEBDHN [NH3+]C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCC1 ZINC000567862476 532667488 /nfs/dbraw/zinc/66/74/88/532667488.db2.gz DWQDFKHWDGAJBN-NSHDSACASA-N 0 3 381.376 2.409 20 5 GEBDHN O=C(CN[C@@H]1CCC[C@@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000502856017 532742158 /nfs/dbraw/zinc/74/21/58/532742158.db2.gz NKTCMGXDQGKOAI-ZWNOBZJWSA-N 0 3 386.246 2.437 20 5 GEBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301707606 532757161 /nfs/dbraw/zinc/75/71/61/532757161.db2.gz JCJIHVDJWRHUMV-HNNXBMFYSA-N 0 3 397.273 2.100 20 5 GEBDHN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc1SC ZINC000270412601 532798132 /nfs/dbraw/zinc/79/81/32/532798132.db2.gz BLLAAZKAQGOFGQ-DOMZBBRYSA-N 0 3 385.511 2.443 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000287907787 532813006 /nfs/dbraw/zinc/81/30/06/532813006.db2.gz ZYZZSLNCJNGELN-GXFFZTMASA-N 0 3 382.360 2.068 20 5 GEBDHN CC(C)(C)[C@@H](C[NH3+])[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000420455109 532883790 /nfs/dbraw/zinc/88/37/90/532883790.db2.gz XEGSOOGLJBHDJP-LLVKDONJSA-N 0 3 380.264 2.009 20 5 GEBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000290738509 532888190 /nfs/dbraw/zinc/88/81/90/532888190.db2.gz LUNJQMBZWBFBOH-MFKMUULPSA-N 0 3 391.852 2.492 20 5 GEBDHN O=[N+]([O-])c1cnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000738367970 598502646 /nfs/dbraw/zinc/50/26/46/598502646.db2.gz AEDSSZNQWJLYFM-AWEZNQCLSA-N 0 3 386.460 2.262 20 5 GEBDHN O=[N+]([O-])c1cnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000738367970 598502647 /nfs/dbraw/zinc/50/26/47/598502647.db2.gz AEDSSZNQWJLYFM-AWEZNQCLSA-N 0 3 386.460 2.262 20 5 GEBDHN C[C@@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000820411311 599693968 /nfs/dbraw/zinc/69/39/68/599693968.db2.gz IPSFUJSNFAEEFN-CYBMUJFWSA-N 0 3 394.439 2.490 20 5 GEBDHN C[C@@H]([NH2+]C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000820411311 599693969 /nfs/dbraw/zinc/69/39/69/599693969.db2.gz IPSFUJSNFAEEFN-CYBMUJFWSA-N 0 3 394.439 2.490 20 5 GEBDHN CCN(CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(C)C ZINC000444176355 649939416 /nfs/dbraw/zinc/93/94/16/649939416.db2.gz OPFSUTWVISKAFZ-UHFFFAOYSA-N 0 3 394.291 2.366 20 5 GEBDHN C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824586283 608468561 /nfs/dbraw/zinc/46/85/61/608468561.db2.gz XKGYRYBBDIOGGM-GFCCVEGCSA-N 0 3 381.396 2.454 20 5 GEBDHN C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824586283 608468563 /nfs/dbraw/zinc/46/85/63/608468563.db2.gz XKGYRYBBDIOGGM-GFCCVEGCSA-N 0 3 381.396 2.454 20 5 GEBDHN CCCCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447018690 649994293 /nfs/dbraw/zinc/99/42/93/649994293.db2.gz VYKMXLKDQTYKCP-UHFFFAOYSA-N 0 3 394.291 2.368 20 5 GEBDHN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCN(C2CC2)C1 ZINC000532574522 650750443 /nfs/dbraw/zinc/75/04/43/650750443.db2.gz CBQYJTGTVLRYPC-ZDUSSCGKSA-N 0 3 397.273 2.464 20 5 GEBDHN C[C@]1(CO)CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000493412668 650793722 /nfs/dbraw/zinc/79/37/22/650793722.db2.gz NLQOFLMAVUBGOX-UKRRQHHQSA-N 0 3 386.246 2.437 20 5 GEBDHN O=C(CN[C@H]1CCO[C@@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000494438079 650808391 /nfs/dbraw/zinc/80/83/91/650808391.db2.gz QDAPRJNVWOHAMX-DZGCQCFKSA-N 0 3 384.230 2.453 20 5 GEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)NC(C)C ZINC000539093319 650842034 /nfs/dbraw/zinc/84/20/34/650842034.db2.gz JQPHWZMPHFLQGY-CYBMUJFWSA-N 0 3 375.516 2.383 20 5 GEBDHN COCCN1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000119074799 643533610 /nfs/dbraw/zinc/53/36/10/643533610.db2.gz JHJMGMUDUAVLFC-UHFFFAOYSA-N 0 3 386.246 2.198 20 5 GEBDHN CS[C@@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000541062739 650870407 /nfs/dbraw/zinc/87/04/07/650870407.db2.gz VMLZHTPGJHDLRI-DGCLKSJQSA-N 0 3 375.397 2.314 20 5 GEBDHN CCN1CCN(C[C@H](C)CNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000268454887 645970164 /nfs/dbraw/zinc/97/01/64/645970164.db2.gz BTFWPNLHZYULGM-GFCCVEGCSA-N 0 3 386.294 2.438 20 5 GEBDHN O=[N+]([O-])c1cc(I)cc(CN2CC[C@@H](c3nc[nH]n3)C2)c1 ZINC000425359108 648673922 /nfs/dbraw/zinc/67/39/22/648673922.db2.gz SEIKYCZRFHPRJP-SNVBAGLBSA-N 0 3 399.192 2.307 20 5 GEBDHN [NH3+][C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000566223583 651604018 /nfs/dbraw/zinc/60/40/18/651604018.db2.gz RKRSZHIYGYCQKJ-GXSJLCMTSA-N 0 3 381.376 2.409 20 5 GEBDHN COC(=O)C(C)(C)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000580060159 652365228 /nfs/dbraw/zinc/36/52/28/652365228.db2.gz SVILOLATWJMVLW-UHFFFAOYSA-N 0 3 392.193 2.488 20 5 GEBDHN [NH3+]C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000580073388 652365960 /nfs/dbraw/zinc/36/59/60/652365960.db2.gz IVMQAWQDYUUCRZ-ONGXEEELSA-N 0 3 381.376 2.409 20 5 GEBDHN CO[C@]1(CNCc2cc(I)cc([N+](=O)[O-])c2)CCOC1 ZINC000589317813 652565719 /nfs/dbraw/zinc/56/57/19/652565719.db2.gz KLHSCMVWOVFEOL-ZDUSSCGKSA-N 0 3 392.193 2.095 20 5 GEBDHN COC(=O)[C@H]1C[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000597223946 652776150 /nfs/dbraw/zinc/77/61/50/652776150.db2.gz YHPBURJSWCNEEP-JGZJWPJOSA-N 0 3 390.177 2.241 20 5 GEBDHN CCN1CCN(CCCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599066275 652847161 /nfs/dbraw/zinc/84/71/61/652847161.db2.gz SQDPPBMLGFVBIP-UHFFFAOYSA-N 0 3 399.289 2.115 20 5 GEBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1C[C@@H](O)C1 ZINC000599655786 652882546 /nfs/dbraw/zinc/88/25/46/652882546.db2.gz PHBIBDBUDJQUKG-GSJFWJNXSA-N 0 3 376.194 2.402 20 5 GEBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCCN(CCCO)C2)cc1Br ZINC000602672731 653199597 /nfs/dbraw/zinc/19/95/97/653199597.db2.gz GTSBNFXFFYBTAW-SNVBAGLBSA-N 0 3 378.292 2.355 20 5 GEBDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809817532 653300418 /nfs/dbraw/zinc/30/04/18/653300418.db2.gz DUFYNYJOKMFYNO-JTQLQIEISA-N 0 3 379.841 2.350 20 5 GEBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCCN1CCCS1(=O)=O ZINC000811480591 653394318 /nfs/dbraw/zinc/39/43/18/653394318.db2.gz ZLPSCHDXINFJNF-UHFFFAOYSA-N 0 3 382.269 2.417 20 5 GEBDHN CC(COC(=O)CCCS(=O)(=O)c1ccc(Br)cc1)[N+](=O)[O-] ZINC000813112647 653463661 /nfs/dbraw/zinc/46/36/61/653463661.db2.gz SAXGPROJLOTOAL-JTQLQIEISA-N 0 3 394.243 2.211 20 5 GEBDHN NC(=O)C[C@@H](NCc1cccc([N+](=O)[O-])c1Br)C1CCOCC1 ZINC000839553485 653654727 /nfs/dbraw/zinc/65/47/27/653654727.db2.gz XZQZRCIBOAYQLV-GFCCVEGCSA-N 0 3 386.246 2.118 20 5 GEBDHN CN(C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCC1 ZINC000782482555 653662368 /nfs/dbraw/zinc/66/23/68/653662368.db2.gz KDGRJUNUKFARIC-UHFFFAOYSA-N 0 3 392.275 2.120 20 5 GEBDHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000840951743 653703466 /nfs/dbraw/zinc/70/34/66/653703466.db2.gz AIZMPMSXGMVSAW-AAEUAGOBSA-N 0 3 392.275 2.118 20 5 GEBDHN CN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CN2CCC1CC2 ZINC000865713407 653772462 /nfs/dbraw/zinc/77/24/62/653772462.db2.gz PRPNIDFANJTNRW-OAHLLOKOSA-N 0 3 382.258 2.452 20 5 GEBDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795837509 653969688 /nfs/dbraw/zinc/96/96/88/653969688.db2.gz IZBZVQUOFNTIFE-JTQLQIEISA-N 0 3 379.841 2.350 20 5 GEBDHN COc1ccc([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Br ZINC000174693082 532074735 /nfs/dbraw/zinc/07/47/35/532074735.db2.gz OCSWXXHPLGIEME-ZWNOBZJWSA-N 0 3 399.245 2.274 20 5 GEBDHN CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000125006424 532131919 /nfs/dbraw/zinc/13/19/19/532131919.db2.gz UURSCRPGAHUELY-JTQLQIEISA-N 0 3 380.264 2.153 20 5 GEBDHN C[C@@]1(F)CNCCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000516168788 532380532 /nfs/dbraw/zinc/38/05/32/532380532.db2.gz FHFMWXXGVVTXMW-GFCCVEGCSA-N 0 3 379.173 2.337 20 5 GEBDHN CN(Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000591242850 532402464 /nfs/dbraw/zinc/40/24/64/532402464.db2.gz MYHFIAGLWGXUQW-CQSZACIVSA-N 0 3 396.241 2.012 20 5 GEBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1Br ZINC000373892695 532477597 /nfs/dbraw/zinc/47/75/97/532477597.db2.gz MPOJEIWDBXWEJT-LBPRGKRZSA-N 0 3 398.257 2.340 20 5 GEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000375048772 532529178 /nfs/dbraw/zinc/52/91/78/532529178.db2.gz ZSEDUOARTYXKTK-YPMHNXCESA-N 0 3 398.257 2.259 20 5 GEBDHN CCCC[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440442067 532715071 /nfs/dbraw/zinc/71/50/71/532715071.db2.gz HEOQIOADKAVMMI-SECBINFHSA-N 0 3 380.264 2.153 20 5 GEBDHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000441795310 532726419 /nfs/dbraw/zinc/72/64/19/532726419.db2.gz AVFOEIKZLHIKDR-UHFFFAOYSA-N 0 3 394.291 2.368 20 5 GEBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301824455 532760195 /nfs/dbraw/zinc/76/01/95/532760195.db2.gz NVOADIZZXNVUOB-AWEZNQCLSA-N 0 3 397.273 2.276 20 5 GEBDHN C[C@@H]1CN(CC2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000359943374 206271858 /nfs/dbraw/zinc/27/18/58/206271858.db2.gz ZRKXAEQKEPYVGH-HZPDHXFCSA-N 0 3 391.468 2.321 20 5 GEBDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000359996625 206276866 /nfs/dbraw/zinc/27/68/66/206276866.db2.gz RPGURXGUKHNYGV-FVQBIDKESA-N 0 3 379.461 2.417 20 5 GEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000824384972 608282219 /nfs/dbraw/zinc/28/22/19/608282219.db2.gz IYBTXVYUYHOBRV-LLVKDONJSA-N 0 3 399.386 2.421 20 5 GEBDHN C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824586284 608468577 /nfs/dbraw/zinc/46/85/77/608468577.db2.gz XKGYRYBBDIOGGM-LBPRGKRZSA-N 0 3 381.396 2.454 20 5 GEBDHN C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824586284 608468579 /nfs/dbraw/zinc/46/85/79/608468579.db2.gz XKGYRYBBDIOGGM-LBPRGKRZSA-N 0 3 381.396 2.454 20 5 GEBDHN O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000826498398 608509686 /nfs/dbraw/zinc/50/96/86/608509686.db2.gz SOMSJWDFRZCICW-QZTJIDSGSA-N 0 3 380.408 2.476 20 5 GEBDHN O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000826498398 608509687 /nfs/dbraw/zinc/50/96/87/608509687.db2.gz SOMSJWDFRZCICW-QZTJIDSGSA-N 0 3 380.408 2.476 20 5 GEBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCN1CCCO ZINC000452784791 650197448 /nfs/dbraw/zinc/19/74/48/650197448.db2.gz PURBFSPNJNZWPN-ZDUSSCGKSA-N 0 3 387.889 2.303 20 5 GEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2CS(=O)(=O)CCO2)s1 ZINC000507862346 650468569 /nfs/dbraw/zinc/46/85/69/650468569.db2.gz UXDAUDKXHKJRST-LBPRGKRZSA-N 0 3 382.463 2.227 20 5 GEBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000116346776 643458868 /nfs/dbraw/zinc/45/88/68/643458868.db2.gz RXXZAZBGNXZFIV-LLVKDONJSA-N 0 3 392.275 2.072 20 5 GEBDHN CN1CCN(CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1(C)C ZINC000281772494 646797823 /nfs/dbraw/zinc/79/78/23/646797823.db2.gz MGYMUCONQXLIDF-UHFFFAOYSA-N 0 3 399.289 2.113 20 5 GEBDHN CC(C)N1CCN([C@H]2CCN(c3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000362201386 647568225 /nfs/dbraw/zinc/56/82/25/647568225.db2.gz WOKAVMOWAYDTKK-AWEZNQCLSA-N 0 3 398.305 2.357 20 5 GEBDHN CN(C)CC1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000416532006 648162472 /nfs/dbraw/zinc/16/24/72/648162472.db2.gz VMYIZELNLYVVKN-UHFFFAOYSA-N 0 3 381.376 2.376 20 5 GEBDHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000615293346 651860786 /nfs/dbraw/zinc/86/07/86/651860786.db2.gz QDJVCOVUBGSRFP-CHWSQXEVSA-N 0 3 392.275 2.118 20 5 GEBDHN [NH3+]C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000580073386 652366052 /nfs/dbraw/zinc/36/60/52/652366052.db2.gz IVMQAWQDYUUCRZ-MWLCHTKSSA-N 0 3 381.376 2.409 20 5 GEBDHN CC(C)[C@H]([NH3+])CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000595122047 652706305 /nfs/dbraw/zinc/70/63/05/652706305.db2.gz WJRWOQNLXKJRDX-LLVKDONJSA-N 0 3 380.264 2.009 20 5 GEBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000601422765 653093802 /nfs/dbraw/zinc/09/38/02/653093802.db2.gz YIBWSWRNSZANTB-CABZTGNLSA-N 0 3 381.376 2.327 20 5 GEBDHN O=[N+]([O-])c1sc(CN[C@H]2CCCN(CCCO)C2)cc1Br ZINC000602672730 653199455 /nfs/dbraw/zinc/19/94/55/653199455.db2.gz GTSBNFXFFYBTAW-JTQLQIEISA-N 0 3 378.292 2.355 20 5 GEBDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815010738 653642921 /nfs/dbraw/zinc/64/29/21/653642921.db2.gz XYDBXUCNZLVJPU-UHFFFAOYSA-N 0 3 379.841 2.350 20 5 GEBDHN [NH3+]CCCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000842920654 653773775 /nfs/dbraw/zinc/77/37/75/653773775.db2.gz SJTWENHMRRZBHN-UHFFFAOYSA-N 0 3 380.264 2.155 20 5 GEBDHN CS[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000790903747 653800200 /nfs/dbraw/zinc/80/02/00/653800200.db2.gz AFLQLBTXGYWVSD-KGLIPLIRSA-N 0 3 375.853 2.434 20 5 GEBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000867308664 653913019 /nfs/dbraw/zinc/91/30/19/653913019.db2.gz MOIUFNFEQIAVBD-JOYOIKCWSA-N 0 3 392.275 2.070 20 5 GEBDHN CN(C)CCn1nccc1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868586738 654045018 /nfs/dbraw/zinc/04/50/18/654045018.db2.gz SGESNQKONOIKJX-UHFFFAOYSA-N 0 3 396.245 2.297 20 5 GEBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000916663690 654103948 /nfs/dbraw/zinc/10/39/48/654103948.db2.gz LPEUNPDNGAYZEK-ZJUUUORDSA-N 0 3 394.280 2.474 20 5 GEBDHN O=[N+]([O-])c1cnc2cc(Br)ccc2c1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000894429958 654475337 /nfs/dbraw/zinc/47/53/37/654475337.db2.gz NJNJCVGPVMWPQO-NWDGAFQWSA-N 0 3 393.241 2.161 20 5 GEBDHN C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000925516221 654545565 /nfs/dbraw/zinc/54/55/65/654545565.db2.gz WFYVXWYEQAGZND-LLVKDONJSA-N 0 3 375.878 2.398 20 5 GEBDHN COc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164984756 722106258 /nfs/dbraw/zinc/10/62/58/722106258.db2.gz UVAOGCRFIIDNGV-SJLPKXTDSA-N 0 3 399.451 2.121 20 5 GEBDHN CN(C[C@H]1CCN(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163311479 531857004 /nfs/dbraw/zinc/85/70/04/531857004.db2.gz VYSRJPLBEMHMMV-JTQLQIEISA-N 0 3 381.376 2.186 20 5 GEBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000590590147 532377503 /nfs/dbraw/zinc/37/75/03/532377503.db2.gz TZEYDUIOYDZEJM-MWLCHTKSSA-N 0 3 392.275 2.070 20 5 GEBDHN CSC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000557536296 532367437 /nfs/dbraw/zinc/36/74/37/532367437.db2.gz SYFNLZIREZQWGQ-UHFFFAOYSA-N 0 3 393.918 2.354 20 5 GEBDHN C[C@]1(F)CNCCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000516168789 532381035 /nfs/dbraw/zinc/38/10/35/532381035.db2.gz FHFMWXXGVVTXMW-LBPRGKRZSA-N 0 3 379.173 2.337 20 5 GEBDHN CSC1(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CCN(C)CC1 ZINC000517630855 532421733 /nfs/dbraw/zinc/42/17/33/532421733.db2.gz OGYWMTFVDSMINV-UHFFFAOYSA-N 0 3 387.527 2.317 20 5 GEBDHN C[C@@H](CCCC[NH3+])[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000427930828 532437488 /nfs/dbraw/zinc/43/74/88/532437488.db2.gz KHZXFCKSDQECRX-VIFPVBQESA-N 0 3 380.264 2.153 20 5 GEBDHN [NH3+]C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000237997067 532515084 /nfs/dbraw/zinc/51/50/84/532515084.db2.gz MGWPSNGGBZBUQL-SKDRFNHKSA-N 0 3 381.376 2.409 20 5 GEBDHN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594601627 532515537 /nfs/dbraw/zinc/51/55/37/532515537.db2.gz DUYYLWUBUIFIFD-NWDGAFQWSA-N 0 3 393.241 2.161 20 5 GEBDHN C[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000374306524 532497911 /nfs/dbraw/zinc/49/79/11/532497911.db2.gz ALYFJKUNJXKERD-TZMCWYRMSA-N 0 3 398.305 2.215 20 5 GEBDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000569157726 532688867 /nfs/dbraw/zinc/68/88/67/532688867.db2.gz FBDCQBVCCDGJBN-NSHDSACASA-N 0 3 377.438 2.141 20 5 GEBDHN CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]CC1 ZINC000440865693 532724479 /nfs/dbraw/zinc/72/44/79/532724479.db2.gz POHSZHXRASTBMY-UHFFFAOYSA-N 0 3 392.275 2.025 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000287907797 532813027 /nfs/dbraw/zinc/81/30/27/532813027.db2.gz ZYZZSLNCJNGELN-ZWNOBZJWSA-N 0 3 382.360 2.068 20 5 GEBDHN C[C@H](C[S@](C)=O)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289424144 532854508 /nfs/dbraw/zinc/85/45/08/532854508.db2.gz CXOTVOMYRRUSSZ-CVJBHZAOSA-N 0 3 382.223 2.056 20 5 GEBDHN CSC[C@@](C)(O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289481752 532856281 /nfs/dbraw/zinc/85/62/81/532856281.db2.gz KCJOSASQLBDTDO-LBPRGKRZSA-N 0 3 396.250 2.403 20 5 GEBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000371696834 532949391 /nfs/dbraw/zinc/94/93/91/532949391.db2.gz QGJUMGMIXLFSCP-QWHCGFSZSA-N 0 3 385.873 2.320 20 5 GEBDHN CCOCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H](C)C1 ZINC000736617623 599063039 /nfs/dbraw/zinc/06/30/39/599063039.db2.gz ZIACQLIVPBHBKW-CZUORRHYSA-N 0 3 389.460 2.324 20 5 GEBDHN CCOCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H](C)C1 ZINC000736617623 599063040 /nfs/dbraw/zinc/06/30/40/599063040.db2.gz ZIACQLIVPBHBKW-CZUORRHYSA-N 0 3 389.460 2.324 20 5 GEBDHN CCOCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H](C)C1 ZINC000736617623 599063043 /nfs/dbraw/zinc/06/30/43/599063043.db2.gz ZIACQLIVPBHBKW-CZUORRHYSA-N 0 3 389.460 2.324 20 5 GEBDHN CCOCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H](C)C1 ZINC000736617623 599063046 /nfs/dbraw/zinc/06/30/46/599063046.db2.gz ZIACQLIVPBHBKW-CZUORRHYSA-N 0 3 389.460 2.324 20 5 GEBDHN CC1CC[NH+](CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820722446 599477767 /nfs/dbraw/zinc/47/77/67/599477767.db2.gz ILTFFXOYQKIOPS-UHFFFAOYSA-N 0 3 382.428 2.467 20 5 GEBDHN CC1CC[NH+](CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820722446 599477769 /nfs/dbraw/zinc/47/77/69/599477769.db2.gz ILTFFXOYQKIOPS-UHFFFAOYSA-N 0 3 382.428 2.467 20 5 GEBDHN CN(C[C@H]1CCC[N@H+](C)C1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821623131 599559793 /nfs/dbraw/zinc/55/97/93/599559793.db2.gz DKYSLUMQYXICJB-LBPRGKRZSA-N 0 3 382.428 2.101 20 5 GEBDHN CN(C[C@H]1CCC[N@@H+](C)C1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821623131 599559795 /nfs/dbraw/zinc/55/97/95/599559795.db2.gz DKYSLUMQYXICJB-LBPRGKRZSA-N 0 3 382.428 2.101 20 5 GEBDHN CN(C[C@H]1CCC[N@H+](C)C1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821623131 599559797 /nfs/dbraw/zinc/55/97/97/599559797.db2.gz DKYSLUMQYXICJB-LBPRGKRZSA-N 0 3 382.428 2.101 20 5 GEBDHN CN(C[C@H]1CCC[N@@H+](C)C1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821623131 599559799 /nfs/dbraw/zinc/55/97/99/599559799.db2.gz DKYSLUMQYXICJB-LBPRGKRZSA-N 0 3 382.428 2.101 20 5 GEBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[N@@H+]1Cc1ccccc1 ZINC000820668964 606875323 /nfs/dbraw/zinc/87/53/23/606875323.db2.gz XUESLICNYSKIKI-GXTWGEPZSA-N 0 3 380.412 2.245 20 5 GEBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[N@H+]1Cc1ccccc1 ZINC000820668964 606875324 /nfs/dbraw/zinc/87/53/24/606875324.db2.gz XUESLICNYSKIKI-GXTWGEPZSA-N 0 3 380.412 2.245 20 5 GEBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[N@@H+]1Cc1ccccc1 ZINC000820668964 606875325 /nfs/dbraw/zinc/87/53/25/606875325.db2.gz XUESLICNYSKIKI-GXTWGEPZSA-N 0 3 380.412 2.245 20 5 GEBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[N@H+]1Cc1ccccc1 ZINC000820668964 606875326 /nfs/dbraw/zinc/87/53/26/606875326.db2.gz XUESLICNYSKIKI-GXTWGEPZSA-N 0 3 380.412 2.245 20 5 GEBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CN2CCC1CC2 ZINC000446059278 649970015 /nfs/dbraw/zinc/97/00/15/649970015.db2.gz DVVXCALFTYKCRJ-OAHLLOKOSA-N 0 3 382.258 2.452 20 5 GEBDHN CC(C)C[NH+]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820093301 607097670 /nfs/dbraw/zinc/09/76/70/607097670.db2.gz VNYIECSWMVTHGL-UHFFFAOYSA-N 0 3 382.428 2.101 20 5 GEBDHN CC(C)C[NH+]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820093301 607097671 /nfs/dbraw/zinc/09/76/71/607097671.db2.gz VNYIECSWMVTHGL-UHFFFAOYSA-N 0 3 382.428 2.101 20 5 GEBDHN COc1ccc(C[C@](C)([NH3+])CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000826190860 607838292 /nfs/dbraw/zinc/83/82/92/607838292.db2.gz PKGJYDGADHBATF-SFHVURJKSA-N 0 3 383.412 2.156 20 5 GEBDHN COc1ccc(C[C@](C)([NH3+])CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000826190860 607838293 /nfs/dbraw/zinc/83/82/93/607838293.db2.gz PKGJYDGADHBATF-SFHVURJKSA-N 0 3 383.412 2.156 20 5 GEBDHN O=[N+]([O-])c1ccc(NCC2CCN(c3cc[nH+]cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000826499001 608243223 /nfs/dbraw/zinc/24/32/23/608243223.db2.gz RISFJFMUGKHWJC-UHFFFAOYSA-N 0 3 380.412 2.498 20 5 GEBDHN O=[N+]([O-])c1ccc(NCC2CCN(c3cc[nH+]cc3)CC2)c(-c2nn[n-]n2)c1 ZINC000826499001 608243224 /nfs/dbraw/zinc/24/32/24/608243224.db2.gz RISFJFMUGKHWJC-UHFFFAOYSA-N 0 3 380.412 2.498 20 5 GEBDHN CC[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825139297 608552250 /nfs/dbraw/zinc/55/22/50/608552250.db2.gz DNBFVTDLBLQKLE-AEFFLSMTSA-N 0 3 398.423 2.256 20 5 GEBDHN C[C@@H](NCCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824584952 608563614 /nfs/dbraw/zinc/56/36/14/608563614.db2.gz KHIHNYFDVGJVTB-GFCCVEGCSA-N 0 3 381.396 2.454 20 5 GEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000449187091 650033741 /nfs/dbraw/zinc/03/37/41/650033741.db2.gz KFFKQRKTDLKTQG-OCCSQVGLSA-N 0 3 384.479 2.012 20 5 GEBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1N(C)C ZINC000489245086 650756510 /nfs/dbraw/zinc/75/65/10/650756510.db2.gz FDBLOCQIQFAJAB-YPMHNXCESA-N 0 3 375.397 2.314 20 5 GEBDHN C[C@@]1(CO)CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000493412669 650793687 /nfs/dbraw/zinc/79/36/87/650793687.db2.gz NLQOFLMAVUBGOX-ZFWWWQNUSA-N 0 3 386.246 2.437 20 5 GEBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1N(C)C ZINC000495728966 650827296 /nfs/dbraw/zinc/82/72/96/650827296.db2.gz PBBYZAZBKYZREL-CHWSQXEVSA-N 0 3 388.287 2.475 20 5 GEBDHN CC(C)C[C@@](C)(C[NH3+])[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000124464474 643687267 /nfs/dbraw/zinc/68/72/67/643687267.db2.gz GEOMWQLKMASDLX-ZDUSSCGKSA-N 0 3 394.291 2.399 20 5 GEBDHN CS[C@@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000541062740 650870420 /nfs/dbraw/zinc/87/04/20/650870420.db2.gz VMLZHTPGJHDLRI-WCQYABFASA-N 0 3 375.397 2.314 20 5 GEBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000264598787 645694626 /nfs/dbraw/zinc/69/46/26/645694626.db2.gz CSOBMZNGHJRUIR-NSHDSACASA-N 0 3 392.275 2.072 20 5 GEBDHN CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@@H]1N(C)C ZINC000277332759 646403887 /nfs/dbraw/zinc/40/38/87/646403887.db2.gz RTMCISPTIMRRJB-RYUDHWBXSA-N 0 3 388.287 2.475 20 5 GEBDHN CC(C)N1CCN([C@H]2CCN(c3ncc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000363919338 647612801 /nfs/dbraw/zinc/61/28/01/647612801.db2.gz JQNFANILICHIJK-ZDUSSCGKSA-N 0 3 398.305 2.357 20 5 GEBDHN CN1CCN(C[C@H]2CCCN(c3c(Br)cncc3[N+](=O)[O-])C2)CC1 ZINC000367341830 647730594 /nfs/dbraw/zinc/73/05/94/647730594.db2.gz HRGFFKPXUVHSAQ-CYBMUJFWSA-N 0 3 398.305 2.216 20 5 GEBDHN COC[C@](C)(CCO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000576743031 652141048 /nfs/dbraw/zinc/14/10/48/652141048.db2.gz DLNBFEJJKIQAKS-ZDUSSCGKSA-N 0 3 394.209 2.077 20 5 GEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC[C@@H]1CCC[NH2+]C1 ZINC000576822216 652146074 /nfs/dbraw/zinc/14/60/74/652146074.db2.gz BYJVFFANIXFXAR-JTQLQIEISA-N 0 3 381.376 2.282 20 5 GEBDHN CCCCN(C)CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000765182748 652829434 /nfs/dbraw/zinc/82/94/34/652829434.db2.gz BDYRSWJZQQJNKO-UHFFFAOYSA-N 0 3 394.291 2.368 20 5 GEBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000765551184 652843673 /nfs/dbraw/zinc/84/36/73/652843673.db2.gz CRJBBMVYMXFPJQ-CQSZACIVSA-N 0 3 397.273 2.100 20 5 GEBDHN O=[N+]([O-])c1sc(CNCC2CCS(=O)(=O)CC2)cc1Br ZINC000602580978 653192272 /nfs/dbraw/zinc/19/22/72/653192272.db2.gz RMRFXRIVFXRNFC-UHFFFAOYSA-N 0 3 383.289 2.333 20 5 GEBDHN CC(COC(=O)c1cc(I)cc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813114603 653463380 /nfs/dbraw/zinc/46/33/80/653463380.db2.gz UFPOCMLKPKIJJZ-ZCFIWIBFSA-N 0 3 380.094 2.021 20 5 GEBDHN CC(COC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1)[N+](=O)[O-] ZINC000813113561 653463583 /nfs/dbraw/zinc/46/35/83/653463583.db2.gz RPRFDNHSNYUQPC-MFKMUULPSA-N 0 3 385.214 2.149 20 5 GEBDHN CC(COC(=O)CCC(=O)c1ccc(I)cc1)[N+](=O)[O-] ZINC000813114203 653463677 /nfs/dbraw/zinc/46/36/77/653463677.db2.gz NJSHLLHLVOCROH-SECBINFHSA-N 0 3 391.161 2.463 20 5 GEBDHN CC(C)(O)CN1CC[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000877664979 653616216 /nfs/dbraw/zinc/61/62/16/653616216.db2.gz AMBKJOLMNCBVAI-VIFPVBQESA-N 0 3 378.292 2.354 20 5 GEBDHN C[C@H](CCCC[NH3+])[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842869300 653771150 /nfs/dbraw/zinc/77/11/50/653771150.db2.gz IZILEIDIHBEJMK-SECBINFHSA-N 0 3 380.264 2.153 20 5 GEBDHN CC(COC(=O)CCCS(=O)(=O)c1cccc(Br)c1)[N+](=O)[O-] ZINC000821167667 653791930 /nfs/dbraw/zinc/79/19/30/653791930.db2.gz VQLVTBGNKQXNTI-SNVBAGLBSA-N 0 3 394.243 2.211 20 5 GEBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000844032569 653799728 /nfs/dbraw/zinc/79/97/28/653799728.db2.gz BTUMMCFMLMHINN-VIFPVBQESA-N 0 3 389.239 2.094 20 5 GEBDHN CC1(C)CCNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000866804272 653829224 /nfs/dbraw/zinc/82/92/24/653829224.db2.gz UFFDBCCPRFTOEH-UHFFFAOYSA-N 0 3 392.275 2.120 20 5 GEBDHN CN(C)C1(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCC1 ZINC000795944518 653979020 /nfs/dbraw/zinc/97/90/20/653979020.db2.gz KWGFCFKLOWPVIP-UHFFFAOYSA-N 0 3 379.841 2.492 20 5 GEBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)c1cccc([N+](=O)[O-])c1Br ZINC000900719338 654077864 /nfs/dbraw/zinc/07/78/64/654077864.db2.gz GOUCLFKYXYYVCH-LBPRGKRZSA-N 0 3 398.257 2.340 20 5 GEBDHN CN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000932547007 654780612 /nfs/dbraw/zinc/78/06/12/654780612.db2.gz ADKFNAUNPRUPNJ-NSHDSACASA-N 0 3 383.246 2.248 20 5 GEBDHN CN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000932547006 654780753 /nfs/dbraw/zinc/78/07/53/654780753.db2.gz ADKFNAUNPRUPNJ-LLVKDONJSA-N 0 3 383.246 2.248 20 5 GEBDHN O=[N+]([O-])c1ccc2ccnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164746386 720748371 /nfs/dbraw/zinc/74/83/71/720748371.db2.gz XSNDYZLFGXYOEY-SJORKVTESA-N 0 3 392.419 2.275 20 5 GEBDHN COc1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164984757 722105971 /nfs/dbraw/zinc/10/59/71/722105971.db2.gz UVAOGCRFIIDNGV-WMZOPIPTSA-N 0 3 399.451 2.121 20 5 GEBDHN CN1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000163349732 531857786 /nfs/dbraw/zinc/85/77/86/531857786.db2.gz JRQAGBRDJHXAGM-JTQLQIEISA-N 0 3 381.376 2.234 20 5 GEBDHN CCCC[C@H](C[NH3+])[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000125006634 532132149 /nfs/dbraw/zinc/13/21/49/532132149.db2.gz UURSCRPGAHUELY-SNVBAGLBSA-N 0 3 380.264 2.153 20 5 GEBDHN CN(CCN(C)C1CC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000186795222 532342094 /nfs/dbraw/zinc/34/20/94/532342094.db2.gz JPVYVAFFKGWCTL-UHFFFAOYSA-N 0 3 385.262 2.322 20 5 GEBDHN CN1C[C@@H]2CCN(Cc3cc(I)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590011949 532366749 /nfs/dbraw/zinc/36/67/49/532366749.db2.gz NLKKLRNJLROPDX-SMDDNHRTSA-N 0 3 387.221 2.335 20 5 GEBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1sc(Br)cc1[N+](=O)[O-] ZINC000373113885 532433129 /nfs/dbraw/zinc/43/31/29/532433129.db2.gz WKAHFHHGYPANPF-IUCAKERBSA-N 0 3 390.259 2.012 20 5 GEBDHN CC(C)[NH2+]CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592368070 532451748 /nfs/dbraw/zinc/45/17/48/532451748.db2.gz DWDGNETXPUPSOV-UHFFFAOYSA-N 0 3 380.264 2.024 20 5 GEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000375048769 532530330 /nfs/dbraw/zinc/53/03/30/532530330.db2.gz ZSEDUOARTYXKTK-AAEUAGOBSA-N 0 3 398.257 2.259 20 5 GEBDHN Cc1c(Br)c(NCCCN2CCCO[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000432879118 532547064 /nfs/dbraw/zinc/54/70/64/532547064.db2.gz SGOIGZUQNUZSIR-NSHDSACASA-N 0 3 387.278 2.974 20 5 GEBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596174598 532590039 /nfs/dbraw/zinc/59/00/39/532590039.db2.gz JOZKNNWYLFMPTJ-AWEZNQCLSA-N 0 3 397.273 2.276 20 5 GEBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597693123 532624113 /nfs/dbraw/zinc/62/41/13/532624113.db2.gz BFBQLIFHXVAPMX-LSDHHAIUSA-N 0 3 398.257 2.293 20 5 GEBDHN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCC[C@H]2CCC[NH2+]2)c1 ZINC000567898968 532669601 /nfs/dbraw/zinc/66/96/01/532669601.db2.gz JITHRHDGRGIAJJ-LLVKDONJSA-N 0 3 392.275 2.168 20 5 GEBDHN C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000440339643 532710077 /nfs/dbraw/zinc/71/00/77/532710077.db2.gz KPWQFWBLPJMLIU-ZJUUUORDSA-N 0 3 381.376 2.280 20 5 GEBDHN CN(C)C1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301072617 532739143 /nfs/dbraw/zinc/73/91/43/532739143.db2.gz HNRXWMHZOPPPAL-UHFFFAOYSA-N 0 3 381.376 2.419 20 5 GEBDHN CN(C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCSC1 ZINC000272263727 532814192 /nfs/dbraw/zinc/81/41/92/532814192.db2.gz BZTPLCUVVZNZAZ-OAHLLOKOSA-N 0 3 375.397 2.363 20 5 GEBDHN CN(CCc1cccc(Br)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000291273797 532899521 /nfs/dbraw/zinc/89/95/21/532899521.db2.gz PUAJBIZZWFHCNY-OAHLLOKOSA-N 0 3 383.246 2.089 20 5 GEBDHN C[NH+](C)CC1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821583236 599482884 /nfs/dbraw/zinc/48/28/84/599482884.db2.gz NIEQTIYDEMTLNR-UHFFFAOYSA-N 0 3 382.428 2.101 20 5 GEBDHN C[NH+](C)CC1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821583236 599482885 /nfs/dbraw/zinc/48/28/85/599482885.db2.gz NIEQTIYDEMTLNR-UHFFFAOYSA-N 0 3 382.428 2.101 20 5 GEBDHN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820761630 606470708 /nfs/dbraw/zinc/47/07/08/606470708.db2.gz YVQIGNFOCVSBMS-GUYCJALGSA-N 0 3 394.439 2.492 20 5 GEBDHN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820761630 606470710 /nfs/dbraw/zinc/47/07/10/606470710.db2.gz YVQIGNFOCVSBMS-GUYCJALGSA-N 0 3 394.439 2.492 20 5 GEBDHN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820761630 606470712 /nfs/dbraw/zinc/47/07/12/606470712.db2.gz YVQIGNFOCVSBMS-GUYCJALGSA-N 0 3 394.439 2.492 20 5 GEBDHN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820761630 606470714 /nfs/dbraw/zinc/47/07/14/606470714.db2.gz YVQIGNFOCVSBMS-GUYCJALGSA-N 0 3 394.439 2.492 20 5 GEBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[N@@H+]1Cc1ccccc1 ZINC000820668965 606875391 /nfs/dbraw/zinc/87/53/91/606875391.db2.gz XUESLICNYSKIKI-JSGCOSHPSA-N 0 3 380.412 2.245 20 5 GEBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[N@H+]1Cc1ccccc1 ZINC000820668965 606875392 /nfs/dbraw/zinc/87/53/92/606875392.db2.gz XUESLICNYSKIKI-JSGCOSHPSA-N 0 3 380.412 2.245 20 5 GEBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[N@@H+]1Cc1ccccc1 ZINC000820668965 606875393 /nfs/dbraw/zinc/87/53/93/606875393.db2.gz XUESLICNYSKIKI-JSGCOSHPSA-N 0 3 380.412 2.245 20 5 GEBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[N@H+]1Cc1ccccc1 ZINC000820668965 606875394 /nfs/dbraw/zinc/87/53/94/606875394.db2.gz XUESLICNYSKIKI-JSGCOSHPSA-N 0 3 380.412 2.245 20 5 GEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H](CO)[C@H](O)C3)o2)c(Br)c1 ZINC000459702143 650430188 /nfs/dbraw/zinc/43/01/88/650430188.db2.gz KZGQHUQKWCTWLR-MEBBXXQBSA-N 0 3 397.225 2.402 20 5 GEBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000480680840 650627906 /nfs/dbraw/zinc/62/79/06/650627906.db2.gz YORUXSWMLNFSAM-SNVBAGLBSA-N 0 3 394.291 2.366 20 5 GEBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000109065160 643288835 /nfs/dbraw/zinc/28/88/35/643288835.db2.gz SMRAXWZGCPKIPZ-SNVBAGLBSA-N 0 3 394.291 2.366 20 5 GEBDHN CN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000194700973 645343539 /nfs/dbraw/zinc/34/35/39/645343539.db2.gz OLUAFLONDRJXHH-JTQLQIEISA-N 0 3 389.193 2.023 20 5 GEBDHN CCCC[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236747182 645419128 /nfs/dbraw/zinc/41/91/28/645419128.db2.gz UOOFABDTWGAHNA-SNVBAGLBSA-N 0 3 380.264 2.153 20 5 GEBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)[C@H](C)CN1 ZINC000237473775 645433349 /nfs/dbraw/zinc/43/33/49/645433349.db2.gz RMBPIDUXNGJKIQ-RKDXNWHRSA-N 0 3 389.193 2.022 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000237796466 645442041 /nfs/dbraw/zinc/44/20/41/645442041.db2.gz HVZVXBPVVVOGIL-JTQLQIEISA-N 0 3 381.376 2.282 20 5 GEBDHN CN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1(C)C ZINC000281729148 646793193 /nfs/dbraw/zinc/79/31/93/646793193.db2.gz JCLVGWMGIQCCFD-UHFFFAOYSA-N 0 3 399.289 2.113 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCC[NH2+]2)c(C(F)(F)F)c1 ZINC000566224217 651604624 /nfs/dbraw/zinc/60/46/24/651604624.db2.gz IFJQUOIJXXWRFE-JTQLQIEISA-N 0 3 381.376 2.424 20 5 GEBDHN C[C@H](CCNCc1cc(I)cc([N+](=O)[O-])c1)[S@](C)=O ZINC000580178426 652368962 /nfs/dbraw/zinc/36/89/62/652368962.db2.gz XTVVGQANQAWUAY-HOGDKLEQSA-N 0 3 396.250 2.446 20 5 GEBDHN [NH3+][C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000592391856 652593311 /nfs/dbraw/zinc/59/33/11/652593311.db2.gz OUXJEBYTDIULLJ-ZJUUUORDSA-N 0 3 392.275 2.153 20 5 GEBDHN CS[C@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H]1N1CCCC1 ZINC000601145892 652956294 /nfs/dbraw/zinc/95/62/94/652956294.db2.gz VASFGWIBSUDUNY-ZJUUUORDSA-N 0 3 379.408 2.363 20 5 GEBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000601422764 653093722 /nfs/dbraw/zinc/09/37/22/653093722.db2.gz YIBWSWRNSZANTB-BXKDBHETSA-N 0 3 381.376 2.327 20 5 GEBDHN Cc1cc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)ccc1Br ZINC000813100505 653462128 /nfs/dbraw/zinc/46/21/28/653462128.db2.gz TVEAOMWXFMVSSK-MNOVXSKESA-N 0 3 385.214 2.319 20 5 GEBDHN CC(COC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)[N+](=O)[O-] ZINC000813112132 653463547 /nfs/dbraw/zinc/46/35/47/653463547.db2.gz BYKFMBJWGIIOLO-QMMMGPOBSA-N 0 3 383.451 2.327 20 5 GEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815018985 653644154 /nfs/dbraw/zinc/64/41/54/653644154.db2.gz FPIJREAPXPHBOG-JTQLQIEISA-N 0 3 379.841 2.492 20 5 GEBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000784724167 653698943 /nfs/dbraw/zinc/69/89/43/653698943.db2.gz ZFGOXMLWKXLZRP-SNVBAGLBSA-N 0 3 394.291 2.366 20 5 GEBDHN O=[N+]([O-])c1ccn(CCN[C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)n1 ZINC000880218490 653700945 /nfs/dbraw/zinc/70/09/45/653700945.db2.gz NUOIOVNVSZHZGW-OTVXOJSOSA-N 0 3 381.230 2.194 20 5 GEBDHN CC1(C)C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842483831 653758329 /nfs/dbraw/zinc/75/83/29/653758329.db2.gz RMSAZIBRRAUYKA-GFCCVEGCSA-N 0 3 392.275 2.024 20 5 GEBDHN O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000795199031 653938553 /nfs/dbraw/zinc/93/85/53/653938553.db2.gz BVUGMCHCZLEMHR-CQSZACIVSA-N 0 3 381.479 2.457 20 5 GEBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cc([N+](=O)[O-])ncc1Br ZINC000848352536 653971820 /nfs/dbraw/zinc/97/18/20/653971820.db2.gz QOCLOFDDSPCVEF-CHWSQXEVSA-N 0 3 383.246 2.499 20 5 GEBDHN CN1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000867810115 653991049 /nfs/dbraw/zinc/99/10/49/653991049.db2.gz XDBDAFCRTIGOMO-JOYOIKCWSA-N 0 3 377.825 2.102 20 5 GEBDHN O=[N+]([O-])c1cnc2cc(Br)ccc2c1N1CCCN(CCO)CC1 ZINC000892338300 654341137 /nfs/dbraw/zinc/34/11/37/654341137.db2.gz VSHUDZVZMFYENT-UHFFFAOYSA-N 0 3 395.257 2.410 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC(Cc3cccc(Br)c3)C2)c1 ZINC000905977169 654396079 /nfs/dbraw/zinc/39/60/79/654396079.db2.gz GURQMDTYORRQOM-MRXNPFEDSA-N 0 3 395.257 2.089 20 5 GEBDHN CNC(=O)CN1CCCC12CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164684166 719712572 /nfs/dbraw/zinc/71/25/72/719712572.db2.gz NKUYATIGLQJJON-UHFFFAOYSA-N 0 3 383.452 2.324 20 5 GEBDHN O=[N+]([O-])c1ccc2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2c1 ZINC001164738877 720671028 /nfs/dbraw/zinc/67/10/28/720671028.db2.gz LESSYGGQGCKQQB-SJORKVTESA-N 0 3 392.419 2.275 20 5 GEBDHN O=[N+]([O-])c1cccc2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc21 ZINC001164736681 720684791 /nfs/dbraw/zinc/68/47/91/720684791.db2.gz AKPZASOTNVVSOL-HOTGVXAUSA-N 0 3 392.419 2.275 20 5 GEBDHN O=[N+]([O-])c1ccc2ccnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164746384 720746659 /nfs/dbraw/zinc/74/66/59/720746659.db2.gz XSNDYZLFGXYOEY-IRXDYDNUSA-N 0 3 392.419 2.275 20 5 GEBDHN CCOc1nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164773409 721172156 /nfs/dbraw/zinc/17/21/56/721172156.db2.gz XDIPUFKNCWMKDH-JKSUJKDBSA-N 0 3 386.456 2.080 20 5 GEBDHN COc1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164909311 721528081 /nfs/dbraw/zinc/52/80/81/721528081.db2.gz RHIKPOAVSLEBJU-HOCLYGCPSA-N 0 3 388.399 2.479 20 5 GEBDHN Cc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164977278 722101003 /nfs/dbraw/zinc/10/10/03/722101003.db2.gz FQBUPWSUFYULQE-MJGOQNOKSA-N 0 3 383.452 2.421 20 5 GEBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000097573619 531938058 /nfs/dbraw/zinc/93/80/58/531938058.db2.gz VXWLUMRGXNYSLR-LLVKDONJSA-N 0 3 392.275 2.072 20 5 GEBDHN [NH3+]C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000124541615 532123085 /nfs/dbraw/zinc/12/30/85/532123085.db2.gz MMDRAQWJGYIPID-RNCFNFMXSA-N 0 3 392.275 2.153 20 5 GEBDHN CN(C)CCn1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000175703804 532112234 /nfs/dbraw/zinc/11/22/34/532112234.db2.gz IGJHBNJLEIACFC-UHFFFAOYSA-N 0 3 382.218 2.368 20 5 GEBDHN C[NH+](C)CC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000184098737 532330818 /nfs/dbraw/zinc/33/08/18/532330818.db2.gz JLQAMAIRYJXXLN-UHFFFAOYSA-N 0 3 394.291 2.223 20 5 GEBDHN COc1cc(Br)ccc1[C@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000190447248 532356089 /nfs/dbraw/zinc/35/60/89/532356089.db2.gz XHPXDAFXFYDBPT-GWCFXTLKSA-N 0 3 399.245 2.274 20 5 GEBDHN C[C@](O)(CNCc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000516269185 532384938 /nfs/dbraw/zinc/38/49/38/532384938.db2.gz MNVNMNIZTGOCSW-ZDUSSCGKSA-N 0 3 376.194 2.450 20 5 GEBDHN CC(C)C[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236674429 532492473 /nfs/dbraw/zinc/49/24/73/532492473.db2.gz WATVTRCJCHKPJU-JTQLQIEISA-N 0 3 380.264 2.009 20 5 GEBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]C1CCC(C(F)F)CC1 ZINC000282521016 532473825 /nfs/dbraw/zinc/47/38/25/532473825.db2.gz ZQJCKUYHRHHJJX-UHFFFAOYSA-N 0 3 377.413 2.287 20 5 GEBDHN C[C@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000237639862 532509800 /nfs/dbraw/zinc/50/98/00/532509800.db2.gz SSSALKVADSPMLJ-IUCAKERBSA-N 0 3 389.193 2.022 20 5 GEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000237647007 532510122 /nfs/dbraw/zinc/51/01/22/532510122.db2.gz UOUNZFUWCNQKIV-DTWKUNHWSA-N 0 3 389.193 2.022 20 5 GEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000237640286 532510228 /nfs/dbraw/zinc/51/02/28/532510228.db2.gz RMBPIDUXNGJKIQ-DTWKUNHWSA-N 0 3 389.193 2.022 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCc3c2ccc(F)c3Br)c1 ZINC000565946594 532585219 /nfs/dbraw/zinc/58/52/19/532585219.db2.gz YFXUWNNJZFMUGY-HZMBPMFUSA-N 0 3 399.220 2.331 20 5 GEBDHN CCN1CCN([C@@H](C)CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599472148 532662336 /nfs/dbraw/zinc/66/23/36/532662336.db2.gz AIORJJPHRXWTPF-LBPRGKRZSA-N 0 3 399.289 2.113 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(Br)cc2Cl)c1 ZINC000567464576 532654299 /nfs/dbraw/zinc/65/42/99/532654299.db2.gz YGBAYLWDTARJSF-GFCCVEGCSA-N 0 3 389.637 2.358 20 5 GEBDHN CCN(C)C[C@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000266197405 532707161 /nfs/dbraw/zinc/70/71/61/532707161.db2.gz IIHIFSIRQZYJBV-LLVKDONJSA-N 0 3 377.413 2.369 20 5 GEBDHN C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000440339641 532710954 /nfs/dbraw/zinc/71/09/54/532710954.db2.gz KPWQFWBLPJMLIU-UWVGGRQHSA-N 0 3 381.376 2.280 20 5 GEBDHN C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC[NH2+]C1 ZINC000440345715 532711012 /nfs/dbraw/zinc/71/10/12/532711012.db2.gz SLGQEECTDVDQKF-ZJUUUORDSA-N 0 3 392.275 2.024 20 5 GEBDHN [NH3+]C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440411404 532713588 /nfs/dbraw/zinc/71/35/88/532713588.db2.gz ZNFOBOJLBSJBER-CABZTGNLSA-N 0 3 392.275 2.153 20 5 GEBDHN [NH3+]C1(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCCC1 ZINC000440521069 532716071 /nfs/dbraw/zinc/71/60/71/532716071.db2.gz MXBUSWZUGOHPDC-UHFFFAOYSA-N 0 3 392.275 2.297 20 5 GEBDHN C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000440861994 532722885 /nfs/dbraw/zinc/72/28/85/532722885.db2.gz NGWQNNBFUCRMKH-CYBMUJFWSA-N 0 3 392.275 2.025 20 5 GEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CS(=O)(=O)CCO3)s2)cc1 ZINC000507822271 532760977 /nfs/dbraw/zinc/76/09/77/532760977.db2.gz HLRNOTPAEXZOBK-CQSZACIVSA-N 0 3 382.463 2.227 20 5 GEBDHN COc1cc(CNC[C@]2(O)CCSC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272401189 532815060 /nfs/dbraw/zinc/81/50/60/532815060.db2.gz JWMIRXLIFREFCD-OAHLLOKOSA-N 0 3 378.397 2.205 20 5 GEBDHN CNS(=O)(=O)c1ccc(NC[C@@H](c2ccccc2)N(C)C)c([N+](=O)[O-])c1 ZINC000007982563 209131449 /nfs/dbraw/zinc/13/14/49/209131449.db2.gz DBGCJUPSCKQGOF-KRWDZBQOSA-N 0 3 378.454 2.218 20 5 GEBDHN C[C@H](CC[S@@](C)=O)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289472120 532855621 /nfs/dbraw/zinc/85/56/21/532855621.db2.gz JDCHNFTYFQTOHL-AYLIAGHASA-N 0 3 396.250 2.446 20 5 GEBDHN CN(C)CCN1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000366534695 532918512 /nfs/dbraw/zinc/91/85/12/532918512.db2.gz RPQLYNCPUICHAO-UHFFFAOYSA-N 0 3 399.289 2.067 20 5 GEBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000367492579 532925763 /nfs/dbraw/zinc/92/57/63/532925763.db2.gz IQLDJCKJEJEOFX-OCCSQVGLSA-N 0 3 399.245 2.342 20 5 GEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000368550071 532933383 /nfs/dbraw/zinc/93/33/83/532933383.db2.gz FSTHTXSWEXRTMS-WDEREUQCSA-N 0 3 383.246 2.451 20 5 GEBDHN O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000369347967 532938724 /nfs/dbraw/zinc/93/87/24/532938724.db2.gz RCHNVFRPMPYBIJ-CQSZACIVSA-N 0 3 399.289 2.176 20 5 GEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000738358171 599472975 /nfs/dbraw/zinc/47/29/75/599472975.db2.gz LUGUHZAGMXCEDN-UHFFFAOYSA-N 0 3 387.444 2.222 20 5 GEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000738358171 599472977 /nfs/dbraw/zinc/47/29/77/599472977.db2.gz LUGUHZAGMXCEDN-UHFFFAOYSA-N 0 3 387.444 2.222 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645540 599483902 /nfs/dbraw/zinc/48/39/02/599483902.db2.gz TUJJSJWUSOFKCK-NWDGAFQWSA-N 0 3 380.412 2.362 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645540 599483904 /nfs/dbraw/zinc/48/39/04/599483904.db2.gz TUJJSJWUSOFKCK-NWDGAFQWSA-N 0 3 380.412 2.362 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645540 599483907 /nfs/dbraw/zinc/48/39/07/599483907.db2.gz TUJJSJWUSOFKCK-NWDGAFQWSA-N 0 3 380.412 2.362 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645540 599483909 /nfs/dbraw/zinc/48/39/09/599483909.db2.gz TUJJSJWUSOFKCK-NWDGAFQWSA-N 0 3 380.412 2.362 20 5 GEBDHN CC[N@H+](C)C[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821165066 606432336 /nfs/dbraw/zinc/43/23/36/606432336.db2.gz OMZCPNWSWILDRP-LBPRGKRZSA-N 0 3 382.428 2.101 20 5 GEBDHN CC[N@@H+](C)C[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821165066 606432339 /nfs/dbraw/zinc/43/23/39/606432339.db2.gz OMZCPNWSWILDRP-LBPRGKRZSA-N 0 3 382.428 2.101 20 5 GEBDHN CC[N@H+](C)C[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821165066 606432340 /nfs/dbraw/zinc/43/23/40/606432340.db2.gz OMZCPNWSWILDRP-LBPRGKRZSA-N 0 3 382.428 2.101 20 5 GEBDHN CC[N@@H+](C)C[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821165066 606432342 /nfs/dbraw/zinc/43/23/42/606432342.db2.gz OMZCPNWSWILDRP-LBPRGKRZSA-N 0 3 382.428 2.101 20 5 GEBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000820225149 606996266 /nfs/dbraw/zinc/99/62/66/606996266.db2.gz BVSFXRJPYYMODM-LBPRGKRZSA-N 0 3 381.396 2.282 20 5 GEBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000820225149 606996268 /nfs/dbraw/zinc/99/62/68/606996268.db2.gz BVSFXRJPYYMODM-LBPRGKRZSA-N 0 3 381.396 2.282 20 5 GEBDHN C[NH+](C)CCN(Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821586067 607114018 /nfs/dbraw/zinc/11/40/18/607114018.db2.gz IJDXYDSVZVRAIB-UHFFFAOYSA-N 0 3 385.403 2.482 20 5 GEBDHN CC[N@@H+]1C[C@@H](C)N(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000825450557 608232190 /nfs/dbraw/zinc/23/21/90/608232190.db2.gz AUXCDNVBQOAQRT-NWDGAFQWSA-N 0 3 382.428 2.242 20 5 GEBDHN CC[N@H+]1C[C@@H](C)N(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000825450557 608232191 /nfs/dbraw/zinc/23/21/91/608232191.db2.gz AUXCDNVBQOAQRT-NWDGAFQWSA-N 0 3 382.428 2.242 20 5 GEBDHN CC[N@@H+]1C[C@@H](C)N(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000825450557 608232192 /nfs/dbraw/zinc/23/21/92/608232192.db2.gz AUXCDNVBQOAQRT-NWDGAFQWSA-N 0 3 382.428 2.242 20 5 GEBDHN CC[N@H+]1C[C@@H](C)N(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000825450557 608232195 /nfs/dbraw/zinc/23/21/95/608232195.db2.gz AUXCDNVBQOAQRT-NWDGAFQWSA-N 0 3 382.428 2.242 20 5 GEBDHN O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826497514 609345852 /nfs/dbraw/zinc/34/58/52/609345852.db2.gz JRZKQYABLOROTP-UHFFFAOYSA-N 0 3 398.814 2.408 20 5 GEBDHN O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826497514 609345854 /nfs/dbraw/zinc/34/58/54/609345854.db2.gz JRZKQYABLOROTP-UHFFFAOYSA-N 0 3 398.814 2.408 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCN2CCCC2)c(Br)c1 ZINC000446969050 649991646 /nfs/dbraw/zinc/99/16/46/649991646.db2.gz FIUHOAWUJNKUQL-UHFFFAOYSA-N 0 3 392.275 2.122 20 5 GEBDHN O=C1CC[C@H](N2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)CCN1 ZINC000450891820 650074413 /nfs/dbraw/zinc/07/44/13/650074413.db2.gz LNMGLAWAVAFCBM-ZDUSSCGKSA-N 0 3 397.273 2.148 20 5 GEBDHN CN1CCCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000516518702 650598142 /nfs/dbraw/zinc/59/81/42/650598142.db2.gz BFWIUAKPMBYFSW-UHFFFAOYSA-N 0 3 375.210 2.337 20 5 GEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCN3CCCS3(=O)=O)s2)cc1 ZINC000105473322 643206730 /nfs/dbraw/zinc/20/67/30/643206730.db2.gz RLRLZDRQEFHFSY-UHFFFAOYSA-N 0 3 381.479 2.448 20 5 GEBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000151616265 643949784 /nfs/dbraw/zinc/94/97/84/643949784.db2.gz WLRQXZIOXNZRNG-AWEZNQCLSA-N 0 3 397.273 2.100 20 5 GEBDHN CN(C)CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1 ZINC000546196646 650995393 /nfs/dbraw/zinc/99/53/93/650995393.db2.gz ZFXOQZXFZDZXNX-UHFFFAOYSA-N 0 3 381.376 2.376 20 5 GEBDHN CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@H]1N(C)C ZINC000277332746 646403946 /nfs/dbraw/zinc/40/39/46/646403946.db2.gz RTMCISPTIMRRJB-NEPJUHHUSA-N 0 3 388.287 2.475 20 5 GEBDHN CS[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000330546899 647345094 /nfs/dbraw/zinc/34/50/94/647345094.db2.gz PWSWOCFCALLLMT-OLZOCXBDSA-N 0 3 388.287 2.475 20 5 GEBDHN CC1(C)C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000420471215 648419284 /nfs/dbraw/zinc/41/92/84/648419284.db2.gz YDBVSVWYPSUKNX-LBPRGKRZSA-N 0 3 392.275 2.024 20 5 GEBDHN NC(=O)C[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000425432618 648677002 /nfs/dbraw/zinc/67/70/02/648677002.db2.gz LECHSEAXZIGRPS-ZDUSSCGKSA-N 0 3 386.246 2.118 20 5 GEBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000609440106 651619582 /nfs/dbraw/zinc/61/95/82/651619582.db2.gz HGABHEZYLJPJCH-SNVBAGLBSA-N 0 3 394.291 2.366 20 5 GEBDHN CC[S@](=O)[C@@H]1CCC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000567683833 651634690 /nfs/dbraw/zinc/63/46/90/651634690.db2.gz YQYDOPFMOFJKAS-ZDVXSHRPSA-N 0 3 388.511 2.038 20 5 GEBDHN NC(=O)CC1(NCc2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000573173745 651938640 /nfs/dbraw/zinc/93/86/40/651938640.db2.gz RHMCJZPLDCFGMY-UHFFFAOYSA-N 0 3 389.193 2.087 20 5 GEBDHN CSC1(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCN(C)CC1 ZINC000577308113 652177877 /nfs/dbraw/zinc/17/78/77/652177877.db2.gz GUHHUYDJJGURGX-UHFFFAOYSA-N 0 3 379.529 2.070 20 5 GEBDHN Cc1cc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)ccc1Br ZINC000813100504 653462363 /nfs/dbraw/zinc/46/23/63/653462363.db2.gz TVEAOMWXFMVSSK-GHMZBOCLSA-N 0 3 385.214 2.319 20 5 GEBDHN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813105339 653462961 /nfs/dbraw/zinc/46/29/61/653462961.db2.gz LYTIVUFNTUHBOR-JTQLQIEISA-N 0 3 378.834 2.193 20 5 GEBDHN CC(COC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)[N+](=O)[O-] ZINC000813112484 653463461 /nfs/dbraw/zinc/46/34/61/653463461.db2.gz QQAFAFDBVUNEFW-SECBINFHSA-N 0 3 399.197 2.034 20 5 GEBDHN CC[N@H+](CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(C)C ZINC000780856240 653633612 /nfs/dbraw/zinc/63/36/12/653633612.db2.gz NMMAOHOBHCBVND-UHFFFAOYSA-N 0 3 394.291 2.366 20 5 GEBDHN CC[N@@H+](CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(C)C ZINC000780856240 653633615 /nfs/dbraw/zinc/63/36/15/653633615.db2.gz NMMAOHOBHCBVND-UHFFFAOYSA-N 0 3 394.291 2.366 20 5 GEBDHN CN(C)CCn1nnnc1SCc1cccc([N+](=O)[O-])c1Br ZINC000840192188 653679383 /nfs/dbraw/zinc/67/93/83/653679383.db2.gz MKQHXCQBTNPYPJ-UHFFFAOYSA-N 0 3 387.263 2.198 20 5 GEBDHN C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000842699123 653763580 /nfs/dbraw/zinc/76/35/80/653763580.db2.gz ISBBQGOLQLXZBK-VHSXEESVSA-N 0 3 392.275 2.024 20 5 GEBDHN [NH3+]CCCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842920964 653773920 /nfs/dbraw/zinc/77/39/20/653773920.db2.gz UPRDTYPWLYFOSL-UHFFFAOYSA-N 0 3 380.264 2.155 20 5 GEBDHN C[C@@H]1CN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000820874664 653785575 /nfs/dbraw/zinc/78/55/75/653785575.db2.gz ROJMVDCOUSJTTG-JTQLQIEISA-N 0 3 397.273 2.496 20 5 GEBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000843429031 653786710 /nfs/dbraw/zinc/78/67/10/653786710.db2.gz QDGBEDYSYBSAHL-SNVBAGLBSA-N 0 3 375.256 2.453 20 5 GEBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000867307864 653912488 /nfs/dbraw/zinc/91/24/88/653912488.db2.gz DJINPZBUDIJLJV-CABZTGNLSA-N 0 3 392.275 2.070 20 5 GEBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000867307956 653912520 /nfs/dbraw/zinc/91/25/20/653912520.db2.gz FFGSOTATFKYYJT-CABZTGNLSA-N 0 3 392.275 2.070 20 5 GEBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000867307958 653912567 /nfs/dbraw/zinc/91/25/67/653912567.db2.gz FFGSOTATFKYYJT-JOYOIKCWSA-N 0 3 392.275 2.070 20 5 GEBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000885872044 653960794 /nfs/dbraw/zinc/96/07/94/653960794.db2.gz BFNNXYPADBTDRU-ZDUSSCGKSA-N 0 3 398.257 2.340 20 5 GEBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cc([N+](=O)[O-])ncc1Br ZINC000848352539 653971783 /nfs/dbraw/zinc/97/17/83/653971783.db2.gz QOCLOFDDSPCVEF-STQMWFEESA-N 0 3 383.246 2.499 20 5 GEBDHN CN(CCCN(C)S(=O)(=O)c1csc([N+](=O)[O-])c1)Cc1ccncc1 ZINC000886425152 653984800 /nfs/dbraw/zinc/98/48/00/653984800.db2.gz UNQNZQBORNCJME-UHFFFAOYSA-N 0 3 384.483 2.194 20 5 GEBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000867810105 653991009 /nfs/dbraw/zinc/99/10/09/653991009.db2.gz WYMGDUOYHVJVEH-BXKDBHETSA-N 0 3 377.825 2.102 20 5 GEBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000867810113 653991123 /nfs/dbraw/zinc/99/11/23/653991123.db2.gz XDBDAFCRTIGOMO-BXKDBHETSA-N 0 3 377.825 2.102 20 5 GEBDHN CN1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CCC1(C)C ZINC000828299581 654032377 /nfs/dbraw/zinc/03/23/77/654032377.db2.gz DZMQSSVEVMKRLB-UHFFFAOYSA-N 0 3 385.262 2.496 20 5 GEBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000828958483 654056292 /nfs/dbraw/zinc/05/62/92/654056292.db2.gz FWICJINKIWLMNI-NEPJUHHUSA-N 0 3 383.246 2.248 20 5 GEBDHN C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)CCN1C ZINC000928437246 654647041 /nfs/dbraw/zinc/64/70/41/654647041.db2.gz BTGCZAKJVNVIFM-PELKAZGASA-N 0 3 389.193 2.022 20 5 GEBDHN CCOC(=O)C1CCN(C2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC001164614016 719023445 /nfs/dbraw/zinc/02/34/45/719023445.db2.gz KVRMVAWZIQZQMD-UHFFFAOYSA-N 0 3 380.420 2.373 20 5 GEBDHN O=[N+]([O-])c1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc2[nH]ccc21 ZINC001164867699 721116234 /nfs/dbraw/zinc/11/62/34/721116234.db2.gz ZPIHOCATUASVIL-HZPDHXFCSA-N 0 3 394.435 2.346 20 5 GEBDHN CN1CCC[C@H]1CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000154745507 531631843 /nfs/dbraw/zinc/63/18/43/531631843.db2.gz CAVVEDFMTPIMGE-NSHDSACASA-N 0 3 389.193 2.023 20 5 GEBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000097573620 531937839 /nfs/dbraw/zinc/93/78/39/531937839.db2.gz VXWLUMRGXNYSLR-NSHDSACASA-N 0 3 392.275 2.072 20 5 GEBDHN COCCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121329611 532023280 /nfs/dbraw/zinc/02/32/80/532023280.db2.gz GSMLAURODLEUHU-GFCCVEGCSA-N 0 3 386.246 2.198 20 5 GEBDHN CS(=O)(=O)CCOCCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000174513044 532067911 /nfs/dbraw/zinc/06/79/11/532067911.db2.gz XOWTYHOZROPABF-UHFFFAOYSA-N 0 3 384.479 2.474 20 5 GEBDHN CCN1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000180528925 532274192 /nfs/dbraw/zinc/27/41/92/532274192.db2.gz GQBFBXVZFXKMCA-UHFFFAOYSA-N 0 3 399.289 2.115 20 5 GEBDHN C[NH+](C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000594472061 532509251 /nfs/dbraw/zinc/50/92/51/532509251.db2.gz UJXQJNGYGLXLKK-JGZJWPJOSA-N 0 3 381.376 2.232 20 5 GEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000237639890 532509637 /nfs/dbraw/zinc/50/96/37/532509637.db2.gz SSSALKVADSPMLJ-DTWKUNHWSA-N 0 3 389.193 2.022 20 5 GEBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000375048771 532530315 /nfs/dbraw/zinc/53/03/15/532530315.db2.gz ZSEDUOARTYXKTK-WCQYABFASA-N 0 3 398.257 2.259 20 5 GEBDHN CCc1ccc(S(=O)(=O)NCC2(SC)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000565889746 532582917 /nfs/dbraw/zinc/58/29/17/532582917.db2.gz UVUBYJCHPDZJFD-UHFFFAOYSA-N 0 3 387.527 2.263 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000440417175 532712810 /nfs/dbraw/zinc/71/28/10/532712810.db2.gz XLARXASTAZNCTF-SNVBAGLBSA-N 0 3 392.275 2.025 20 5 GEBDHN [NH3+]C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440411406 532713501 /nfs/dbraw/zinc/71/35/01/532713501.db2.gz ZNFOBOJLBSJBER-JOYOIKCWSA-N 0 3 392.275 2.153 20 5 GEBDHN CC(C)C[C@](C)(C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440427925 532714498 /nfs/dbraw/zinc/71/44/98/532714498.db2.gz OVFWPOCDCJAYNJ-CYBMUJFWSA-N 0 3 394.291 2.399 20 5 GEBDHN C[C@]1(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000440861995 532723653 /nfs/dbraw/zinc/72/36/53/532723653.db2.gz NGWQNNBFUCRMKH-ZDUSSCGKSA-N 0 3 392.275 2.025 20 5 GEBDHN Cc1cc(Br)ccc1CN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444689864 532751335 /nfs/dbraw/zinc/75/13/35/532751335.db2.gz HRDALLDMXUAWOE-HNNXBMFYSA-N 0 3 383.246 2.355 20 5 GEBDHN C[C@H]1CN(CC2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000359943372 206272825 /nfs/dbraw/zinc/27/28/25/206272825.db2.gz ZRKXAEQKEPYVGH-HOTGVXAUSA-N 0 3 391.468 2.321 20 5 GEBDHN Cn1cc(CCNCc2cc(I)cc([N+](=O)[O-])c2)cn1 ZINC000289996053 532869225 /nfs/dbraw/zinc/86/92/25/532869225.db2.gz SRAJUGRMKKOWCJ-UHFFFAOYSA-N 0 3 386.193 2.265 20 5 GEBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2I)CC1 ZINC000416302046 532870158 /nfs/dbraw/zinc/87/01/58/532870158.db2.gz MYGJGCYARZYGDX-UHFFFAOYSA-N 0 3 389.193 2.023 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000420458063 532883898 /nfs/dbraw/zinc/88/38/98/532883898.db2.gz IJWSKGGIPUBZCI-CHWSQXEVSA-N 0 3 385.442 2.219 20 5 GEBDHN CC(C)(C)[C@H](C[NH3+])[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000420455110 532883885 /nfs/dbraw/zinc/88/38/85/532883885.db2.gz XEGSOOGLJBHDJP-NSHDSACASA-N 0 3 380.264 2.009 20 5 GEBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000367492578 532925789 /nfs/dbraw/zinc/92/57/89/532925789.db2.gz IQLDJCKJEJEOFX-JSGCOSHPSA-N 0 3 399.245 2.342 20 5 GEBDHN C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736204943 598498791 /nfs/dbraw/zinc/49/87/91/598498791.db2.gz UNNSPAKOIATMQY-JSGCOSHPSA-N 0 3 380.412 2.417 20 5 GEBDHN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736204943 598498792 /nfs/dbraw/zinc/49/87/92/598498792.db2.gz UNNSPAKOIATMQY-JSGCOSHPSA-N 0 3 380.412 2.417 20 5 GEBDHN C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736204943 598498793 /nfs/dbraw/zinc/49/87/93/598498793.db2.gz UNNSPAKOIATMQY-JSGCOSHPSA-N 0 3 380.412 2.417 20 5 GEBDHN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736204943 598498796 /nfs/dbraw/zinc/49/87/96/598498796.db2.gz UNNSPAKOIATMQY-JSGCOSHPSA-N 0 3 380.412 2.417 20 5 GEBDHN O=[N+]([O-])c1cnc(NCc2ccccc2C[NH+]2CCCC2)c(-c2nnn[n-]2)c1 ZINC000823651991 599432432 /nfs/dbraw/zinc/43/24/32/599432432.db2.gz VCEBIXCOUPQWRD-UHFFFAOYSA-N 0 3 380.412 2.378 20 5 GEBDHN O=[N+]([O-])c1cnc(NCc2ccccc2C[NH+]2CCCC2)c(-c2nn[n-]n2)c1 ZINC000823651991 599432434 /nfs/dbraw/zinc/43/24/34/599432434.db2.gz VCEBIXCOUPQWRD-UHFFFAOYSA-N 0 3 380.412 2.378 20 5 GEBDHN CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821266662 606141935 /nfs/dbraw/zinc/14/19/35/606141935.db2.gz GBEGTCXUERDWEE-CYBMUJFWSA-N 0 3 382.428 2.244 20 5 GEBDHN CC[N@H+]1CCC[C@@H]1CN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821266662 606141936 /nfs/dbraw/zinc/14/19/36/606141936.db2.gz GBEGTCXUERDWEE-CYBMUJFWSA-N 0 3 382.428 2.244 20 5 GEBDHN CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821266662 606141937 /nfs/dbraw/zinc/14/19/37/606141937.db2.gz GBEGTCXUERDWEE-CYBMUJFWSA-N 0 3 382.428 2.244 20 5 GEBDHN CC[N@H+]1CCC[C@@H]1CN(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821266662 606141938 /nfs/dbraw/zinc/14/19/38/606141938.db2.gz GBEGTCXUERDWEE-CYBMUJFWSA-N 0 3 382.428 2.244 20 5 GEBDHN CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820751705 606805728 /nfs/dbraw/zinc/80/57/28/606805728.db2.gz HQYYVGUUUWWKRB-BDJLRTHQSA-N 0 3 382.428 2.464 20 5 GEBDHN CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820751705 606805729 /nfs/dbraw/zinc/80/57/29/606805729.db2.gz HQYYVGUUUWWKRB-BDJLRTHQSA-N 0 3 382.428 2.464 20 5 GEBDHN CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820751705 606805732 /nfs/dbraw/zinc/80/57/32/606805732.db2.gz HQYYVGUUUWWKRB-BDJLRTHQSA-N 0 3 382.428 2.464 20 5 GEBDHN CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820751705 606805734 /nfs/dbraw/zinc/80/57/34/606805734.db2.gz HQYYVGUUUWWKRB-BDJLRTHQSA-N 0 3 382.428 2.464 20 5 GEBDHN C[C@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000820414368 607047871 /nfs/dbraw/zinc/04/78/71/607047871.db2.gz YDPZNLJMUMDBQM-ZDUSSCGKSA-N 0 3 394.439 2.490 20 5 GEBDHN C[C@H]([NH2+]C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000820414368 607047872 /nfs/dbraw/zinc/04/78/72/607047872.db2.gz YDPZNLJMUMDBQM-ZDUSSCGKSA-N 0 3 394.439 2.490 20 5 GEBDHN COc1ccc(C[C@@](C)([NH3+])CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000826190859 607838149 /nfs/dbraw/zinc/83/81/49/607838149.db2.gz PKGJYDGADHBATF-GOSISDBHSA-N 0 3 383.412 2.156 20 5 GEBDHN COc1ccc(C[C@@](C)([NH3+])CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000826190859 607838150 /nfs/dbraw/zinc/83/81/50/607838150.db2.gz PKGJYDGADHBATF-GOSISDBHSA-N 0 3 383.412 2.156 20 5 GEBDHN O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000826498399 608509488 /nfs/dbraw/zinc/50/94/88/608509488.db2.gz SOMSJWDFRZCICW-ROUUACIJSA-N 0 3 380.408 2.476 20 5 GEBDHN O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000826498399 608509489 /nfs/dbraw/zinc/50/94/89/608509489.db2.gz SOMSJWDFRZCICW-ROUUACIJSA-N 0 3 380.408 2.476 20 5 GEBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447013725 649994252 /nfs/dbraw/zinc/99/42/52/649994252.db2.gz QKTWSLODKQLQLG-SNVBAGLBSA-N 0 3 394.291 2.366 20 5 GEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCN2CCCS2(=O)=O)s1 ZINC000105473426 643207057 /nfs/dbraw/zinc/20/70/57/643207057.db2.gz IKOFDLWRKYVMLW-UHFFFAOYSA-N 0 3 381.479 2.448 20 5 GEBDHN CCC(CC)(C[NH3+])[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236819851 645419023 /nfs/dbraw/zinc/41/90/23/645419023.db2.gz OSHVTIJUUXPACW-UHFFFAOYSA-N 0 3 380.264 2.153 20 5 GEBDHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2O1 ZINC000363885838 647610188 /nfs/dbraw/zinc/61/01/88/647610188.db2.gz AHCPVDAVNKIQFI-LLVKDONJSA-N 0 3 383.451 2.174 20 5 GEBDHN CN1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000378492942 647883059 /nfs/dbraw/zinc/88/30/59/647883059.db2.gz HZRKBTUANMKQTB-ABAIWWIYSA-N 0 3 382.258 2.452 20 5 GEBDHN C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)CCN1C ZINC000719385455 651476049 /nfs/dbraw/zinc/47/60/49/651476049.db2.gz HCUURWVLRLGADB-QPUJVOFHSA-N 0 3 389.193 2.022 20 5 GEBDHN CC[S@](=O)[C@H]1CCC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000567683832 651634359 /nfs/dbraw/zinc/63/43/59/651634359.db2.gz YQYDOPFMOFJKAS-WWDXNRJTSA-N 0 3 388.511 2.038 20 5 GEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC[C@H]1CCC[NH2+]C1 ZINC000576822217 652145946 /nfs/dbraw/zinc/14/59/46/652145946.db2.gz BYJVFFANIXFXAR-SNVBAGLBSA-N 0 3 381.376 2.282 20 5 GEBDHN [NH3+]C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000580073383 652365882 /nfs/dbraw/zinc/36/58/82/652365882.db2.gz IVMQAWQDYUUCRZ-GXSJLCMTSA-N 0 3 381.376 2.409 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CSc3ccc(Br)cc32)c1 ZINC000582541386 652454648 /nfs/dbraw/zinc/45/46/48/652454648.db2.gz ASDCKMAEIKQZTH-YPMHNXCESA-N 0 3 399.270 2.351 20 5 GEBDHN CS[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000599721711 652885306 /nfs/dbraw/zinc/88/53/06/652885306.db2.gz QEFRMWRCOHZLDM-NEPJUHHUSA-N 0 3 388.287 2.475 20 5 GEBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000601421280 653093831 /nfs/dbraw/zinc/09/38/31/653093831.db2.gz DLLUGBNDPVZJGV-ZANVPECISA-N 0 3 392.275 2.070 20 5 GEBDHN CN(C)C[C@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000768859587 653132507 /nfs/dbraw/zinc/13/25/07/653132507.db2.gz YDDYFATZLXXMCX-NSHDSACASA-N 0 3 383.451 2.174 20 5 GEBDHN CN(CCCN1CCN(C)CC1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809743230 653292562 /nfs/dbraw/zinc/29/25/62/653292562.db2.gz NJTMWIJSCWBHEA-UHFFFAOYSA-N 0 3 385.306 2.427 20 5 GEBDHN CC(COC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)[N+](=O)[O-] ZINC000813111270 653463642 /nfs/dbraw/zinc/46/36/42/653463642.db2.gz QQNPHSLQCMBCDP-SECBINFHSA-N 0 3 379.419 2.395 20 5 GEBDHN CC(COC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)[N+](=O)[O-] ZINC000813111190 653463714 /nfs/dbraw/zinc/46/37/14/653463714.db2.gz QAPVNYTUPKADIV-NSHDSACASA-N 0 3 384.435 2.049 20 5 GEBDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815028134 653645667 /nfs/dbraw/zinc/64/56/67/653645667.db2.gz RMJSBHYEBKHOCE-MFKMUULPSA-N 0 3 391.852 2.492 20 5 GEBDHN C[C@]1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCC[NH2+]C1 ZINC000842827396 653770025 /nfs/dbraw/zinc/77/00/25/653770025.db2.gz GJKIIKLSCXAWPX-ZDUSSCGKSA-N 0 3 392.275 2.025 20 5 GEBDHN CN1CC[C@H]2CN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866205489 653788809 /nfs/dbraw/zinc/78/88/09/653788809.db2.gz MRKMLRUVDGDQLS-JQWIXIFHSA-N 0 3 375.397 2.122 20 5 GEBDHN CC1(C)CCNCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000866804030 653828972 /nfs/dbraw/zinc/82/89/72/653828972.db2.gz NNNQCQVXIMFQJG-UHFFFAOYSA-N 0 3 392.275 2.120 20 5 GEBDHN CC1(C)CCNCCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000866804228 653829273 /nfs/dbraw/zinc/82/92/73/653829273.db2.gz RSQHAJZTTSLMRE-UHFFFAOYSA-N 0 3 392.275 2.120 20 5 GEBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000885876776 653961094 /nfs/dbraw/zinc/96/10/94/653961094.db2.gz YDSGFUDGOCEXFK-AWEZNQCLSA-N 0 3 398.257 2.340 20 5 GEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795868518 653973152 /nfs/dbraw/zinc/97/31/52/653973152.db2.gz PMSUWOQZZMWOQT-JTQLQIEISA-N 0 3 379.841 2.492 20 5 GEBDHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000796483040 653998732 /nfs/dbraw/zinc/99/87/32/653998732.db2.gz PKOVQSMUVORXDP-IAQYHMDHSA-N 0 3 375.878 2.446 20 5 GEBDHN CN(C)CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCC1 ZINC000798470824 654065085 /nfs/dbraw/zinc/06/50/85/654065085.db2.gz NUVKLSFRZQSWKF-UHFFFAOYSA-N 0 3 392.275 2.120 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cc(Br)ccc2Cl)c1 ZINC000905524760 654363582 /nfs/dbraw/zinc/36/35/82/654363582.db2.gz LFQVEWSTGLGOEL-LBPRGKRZSA-N 0 3 389.637 2.358 20 5 GEBDHN CNC(=O)CN1CCCC12CCN(c1ccc3cccc([N+](=O)[O-])c3n1)CC2 ZINC001164684280 719716483 /nfs/dbraw/zinc/71/64/83/719716483.db2.gz OISSJDAJODNSGF-UHFFFAOYSA-N 0 3 383.452 2.324 20 5 GEBDHN CNC(=O)CN1CCCC12CCN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC001164686802 719728410 /nfs/dbraw/zinc/72/84/10/719728410.db2.gz UFKORCVNBJLPLN-UHFFFAOYSA-N 0 3 383.452 2.324 20 5 GEBDHN COCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121329776 532022928 /nfs/dbraw/zinc/02/29/28/532022928.db2.gz GSMLAURODLEUHU-LBPRGKRZSA-N 0 3 386.246 2.198 20 5 GEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000184300958 532331799 /nfs/dbraw/zinc/33/17/99/532331799.db2.gz IQULFRCAFAROIK-GFCCVEGCSA-N 0 3 399.289 2.113 20 5 GEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000184412936 532332675 /nfs/dbraw/zinc/33/26/75/532332675.db2.gz IZXAFVPOKZJKKV-GFCCVEGCSA-N 0 3 399.289 2.113 20 5 GEBDHN C[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000374253185 532496271 /nfs/dbraw/zinc/49/62/71/532496271.db2.gz FXYPGVBTXHQATE-LBPRGKRZSA-N 0 3 398.305 2.357 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](c2cncc(Br)c2)C2CC2)c1 ZINC000284879263 532629342 /nfs/dbraw/zinc/62/93/42/532629342.db2.gz SWMHERJKQLUOFB-GJZGRUSLSA-N 0 3 396.245 2.051 20 5 GEBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301824456 532760461 /nfs/dbraw/zinc/76/04/61/532760461.db2.gz NVOADIZZXNVUOB-CQSZACIVSA-N 0 3 397.273 2.276 20 5 GEBDHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000414464314 532829687 /nfs/dbraw/zinc/82/96/87/532829687.db2.gz MGHHHXVRIXOVCI-RYUDHWBXSA-N 0 3 381.376 2.375 20 5 GEBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@H]2CC[C@H](O)C2)c1 ZINC000289594143 532859896 /nfs/dbraw/zinc/85/98/96/532859896.db2.gz ULACFHBPZVAXCP-ZANVPECISA-N 0 3 376.194 2.450 20 5 GEBDHN CN1CCN(CCCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291502589 532903080 /nfs/dbraw/zinc/90/30/80/532903080.db2.gz VPWNXJPLYDDDLL-UHFFFAOYSA-N 0 3 375.256 2.269 20 5 GEBDHN CN1CC[C@]2(CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C2)C1 ZINC000292057085 532912391 /nfs/dbraw/zinc/91/23/91/532912391.db2.gz OGEOAEOBAIHRDQ-AWEZNQCLSA-N 0 3 377.825 2.104 20 5 GEBDHN C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736266167 598869577 /nfs/dbraw/zinc/86/95/77/598869577.db2.gz GLJZEQXIXNPOTN-KGLIPLIRSA-N 0 3 386.460 2.261 20 5 GEBDHN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736266167 598869579 /nfs/dbraw/zinc/86/95/79/598869579.db2.gz GLJZEQXIXNPOTN-KGLIPLIRSA-N 0 3 386.460 2.261 20 5 GEBDHN C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736266167 598869580 /nfs/dbraw/zinc/86/95/80/598869580.db2.gz GLJZEQXIXNPOTN-KGLIPLIRSA-N 0 3 386.460 2.261 20 5 GEBDHN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736266167 598869582 /nfs/dbraw/zinc/86/95/82/598869582.db2.gz GLJZEQXIXNPOTN-KGLIPLIRSA-N 0 3 386.460 2.261 20 5 GEBDHN C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736266169 598869829 /nfs/dbraw/zinc/86/98/29/598869829.db2.gz GLJZEQXIXNPOTN-ZIAGYGMSSA-N 0 3 386.460 2.261 20 5 GEBDHN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736266169 598869830 /nfs/dbraw/zinc/86/98/30/598869830.db2.gz GLJZEQXIXNPOTN-ZIAGYGMSSA-N 0 3 386.460 2.261 20 5 GEBDHN C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736266169 598869831 /nfs/dbraw/zinc/86/98/31/598869831.db2.gz GLJZEQXIXNPOTN-ZIAGYGMSSA-N 0 3 386.460 2.261 20 5 GEBDHN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736266169 598869832 /nfs/dbraw/zinc/86/98/32/598869832.db2.gz GLJZEQXIXNPOTN-ZIAGYGMSSA-N 0 3 386.460 2.261 20 5 GEBDHN C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1Cc1ccccc1 ZINC000820727074 599109308 /nfs/dbraw/zinc/10/93/08/599109308.db2.gz GJYWXAWRZSJJNO-AWEZNQCLSA-N 0 3 394.439 2.271 20 5 GEBDHN C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000820727074 599109312 /nfs/dbraw/zinc/10/93/12/599109312.db2.gz GJYWXAWRZSJJNO-AWEZNQCLSA-N 0 3 394.439 2.271 20 5 GEBDHN C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820727074 599109315 /nfs/dbraw/zinc/10/93/15/599109315.db2.gz GJYWXAWRZSJJNO-AWEZNQCLSA-N 0 3 394.439 2.271 20 5 GEBDHN C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC000820727074 599109318 /nfs/dbraw/zinc/10/93/18/599109318.db2.gz GJYWXAWRZSJJNO-AWEZNQCLSA-N 0 3 394.439 2.271 20 5 GEBDHN Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)[NH+]2CCCC2)o1 ZINC000737320576 598246834 /nfs/dbraw/zinc/24/68/34/598246834.db2.gz RHQZXRQMSVGYOW-CQSZACIVSA-N 0 3 384.400 2.320 20 5 GEBDHN CN(C[C@@H]1CCC[N@H+](C)C1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821623130 599559520 /nfs/dbraw/zinc/55/95/20/599559520.db2.gz DKYSLUMQYXICJB-GFCCVEGCSA-N 0 3 382.428 2.101 20 5 GEBDHN CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821623130 599559523 /nfs/dbraw/zinc/55/95/23/599559523.db2.gz DKYSLUMQYXICJB-GFCCVEGCSA-N 0 3 382.428 2.101 20 5 GEBDHN CN(C[C@@H]1CCC[N@H+](C)C1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821623130 599559526 /nfs/dbraw/zinc/55/95/26/599559526.db2.gz DKYSLUMQYXICJB-GFCCVEGCSA-N 0 3 382.428 2.101 20 5 GEBDHN CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821623130 599559529 /nfs/dbraw/zinc/55/95/29/599559529.db2.gz DKYSLUMQYXICJB-GFCCVEGCSA-N 0 3 382.428 2.101 20 5 GEBDHN CC(C)[N@@H+]1CC[C@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820129306 606797380 /nfs/dbraw/zinc/79/73/80/606797380.db2.gz YOOYMPVJAXWHKE-GFCCVEGCSA-N 0 3 382.428 2.465 20 5 GEBDHN CC(C)[N@H+]1CC[C@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820129306 606797382 /nfs/dbraw/zinc/79/73/82/606797382.db2.gz YOOYMPVJAXWHKE-GFCCVEGCSA-N 0 3 382.428 2.465 20 5 GEBDHN CC(C)[N@@H+]1CC[C@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820129306 606797384 /nfs/dbraw/zinc/79/73/84/606797384.db2.gz YOOYMPVJAXWHKE-GFCCVEGCSA-N 0 3 382.428 2.465 20 5 GEBDHN CC(C)[N@H+]1CC[C@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820129306 606797386 /nfs/dbraw/zinc/79/73/86/606797386.db2.gz YOOYMPVJAXWHKE-GFCCVEGCSA-N 0 3 382.428 2.465 20 5 GEBDHN C[N@@H+]1CCC[C@@H]2CN(c3cc(-c4nnn[n-]4)c4cc([N+](=O)[O-])ccc4n3)CC[C@@H]21 ZINC000821625061 607030244 /nfs/dbraw/zinc/03/02/44/607030244.db2.gz FALKAARTJCOKPK-PXAZEXFGSA-N 0 3 394.439 2.244 20 5 GEBDHN C[N@H+]1CCC[C@@H]2CN(c3cc(-c4nnn[n-]4)c4cc([N+](=O)[O-])ccc4n3)CC[C@@H]21 ZINC000821625061 607030246 /nfs/dbraw/zinc/03/02/46/607030246.db2.gz FALKAARTJCOKPK-PXAZEXFGSA-N 0 3 394.439 2.244 20 5 GEBDHN C[N@@H+]1CCC[C@@H]2CN(c3cc(-c4nn[n-]n4)c4cc([N+](=O)[O-])ccc4n3)CC[C@@H]21 ZINC000821625061 607030248 /nfs/dbraw/zinc/03/02/48/607030248.db2.gz FALKAARTJCOKPK-PXAZEXFGSA-N 0 3 394.439 2.244 20 5 GEBDHN C[N@H+]1CCC[C@@H]2CN(c3cc(-c4nn[n-]n4)c4cc([N+](=O)[O-])ccc4n3)CC[C@@H]21 ZINC000821625061 607030250 /nfs/dbraw/zinc/03/02/50/607030250.db2.gz FALKAARTJCOKPK-PXAZEXFGSA-N 0 3 394.439 2.244 20 5 GEBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1N(C)C ZINC000489245083 650756469 /nfs/dbraw/zinc/75/64/69/650756469.db2.gz FDBLOCQIQFAJAB-WCQYABFASA-N 0 3 375.397 2.314 20 5 GEBDHN CS[C@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000541062741 650870359 /nfs/dbraw/zinc/87/03/59/650870359.db2.gz VMLZHTPGJHDLRI-YPMHNXCESA-N 0 3 375.397 2.314 20 5 GEBDHN C[C@@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000237473428 645433186 /nfs/dbraw/zinc/43/31/86/645433186.db2.gz SSSALKVADSPMLJ-BDAKNGLRSA-N 0 3 389.193 2.022 20 5 GEBDHN CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@@H]1N(C)C ZINC000277332753 646403894 /nfs/dbraw/zinc/40/38/94/646403894.db2.gz RTMCISPTIMRRJB-NWDGAFQWSA-N 0 3 388.287 2.475 20 5 GEBDHN CS[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000330546898 647344903 /nfs/dbraw/zinc/34/49/03/647344903.db2.gz PWSWOCFCALLLMT-CHWSQXEVSA-N 0 3 388.287 2.475 20 5 GEBDHN CC(C)(C)[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000420464508 648418261 /nfs/dbraw/zinc/41/82/61/648418261.db2.gz PFCOOKPYHQGVNI-NSHDSACASA-N 0 3 380.264 2.009 20 5 GEBDHN [NH3+][C@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000566223586 651604606 /nfs/dbraw/zinc/60/46/06/651604606.db2.gz RKRSZHIYGYCQKJ-ONGXEEELSA-N 0 3 381.376 2.409 20 5 GEBDHN CC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000566228391 651604639 /nfs/dbraw/zinc/60/46/39/651604639.db2.gz NYPGFACGDXMGBR-UHFFFAOYSA-N 0 3 381.376 2.282 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@H]2CCC[NH2+]2)c(C(F)(F)F)c1 ZINC000566224218 651604743 /nfs/dbraw/zinc/60/47/43/651604743.db2.gz IFJQUOIJXXWRFE-SNVBAGLBSA-N 0 3 381.376 2.424 20 5 GEBDHN CS[C@H](CO)[C@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000571452467 651833236 /nfs/dbraw/zinc/83/32/36/651833236.db2.gz QIJOWDPPMMGPPJ-QPUJVOFHSA-N 0 3 396.250 2.401 20 5 GEBDHN [NH3+][C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000577849752 652221726 /nfs/dbraw/zinc/22/17/26/652221726.db2.gz DGHHKLAEIUNEDK-ZJUUUORDSA-N 0 3 381.376 2.409 20 5 GEBDHN [NH3+][C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000577849751 652221845 /nfs/dbraw/zinc/22/18/45/652221845.db2.gz DGHHKLAEIUNEDK-VHSXEESVSA-N 0 3 381.376 2.409 20 5 GEBDHN O=[N+]([O-])c1cc(CN2CCN([C@H]3CCC[C@H]3O)CC2)ccc1Br ZINC000769326730 653149010 /nfs/dbraw/zinc/14/90/10/653149010.db2.gz GCWRWWOVWGBKMS-GOEBONIOSA-N 0 3 384.274 2.388 20 5 GEBDHN C[C@@H](CNCc1cc(Br)c([N+](=O)[O-])s1)CN1CCOCC1 ZINC000602549807 653190660 /nfs/dbraw/zinc/19/06/60/653190660.db2.gz FITIYBABGOWEPP-JTQLQIEISA-N 0 3 378.292 2.477 20 5 GEBDHN O=[N+]([O-])c1sc(CNC[C@@H]2CCCCN2CCO)cc1Br ZINC000602675149 653200062 /nfs/dbraw/zinc/20/00/62/653200062.db2.gz RMTVDRAGVRUOMP-JTQLQIEISA-N 0 3 378.292 2.355 20 5 GEBDHN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107625 653462951 /nfs/dbraw/zinc/46/29/51/653462951.db2.gz PJSGNRYXTZEWHJ-SNVBAGLBSA-N 0 3 378.834 2.191 20 5 GEBDHN COc1cc(I)c(C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813109990 653463026 /nfs/dbraw/zinc/46/30/26/653463026.db2.gz YFDMIXGZMJSBGP-ZETCQYMHSA-N 0 3 395.149 2.130 20 5 GEBDHN CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1Cl ZINC000813113669 653463317 /nfs/dbraw/zinc/46/33/17/653463317.db2.gz SIYVAFCAAYRVKZ-JTQLQIEISA-N 0 3 378.834 2.193 20 5 GEBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000815024897 653645177 /nfs/dbraw/zinc/64/51/77/653645177.db2.gz ORLNEDGQVZNCDD-GWCFXTLKSA-N 0 3 391.852 2.492 20 5 GEBDHN CN(CCCN1CCN(C)CC1)Cc1cccc([N+](=O)[O-])c1Br ZINC000839533574 653653999 /nfs/dbraw/zinc/65/39/99/653653999.db2.gz KXRHTZTYLISTKU-UHFFFAOYSA-N 0 3 385.306 2.427 20 5 GEBDHN NCc1cn([C@H]2CCCN(Cc3ccc(Br)c([N+](=O)[O-])c3)C2)nn1 ZINC000841099053 653706394 /nfs/dbraw/zinc/70/63/94/653706394.db2.gz CFMLMTPDMSPYSZ-ZDUSSCGKSA-N 0 3 395.261 2.245 20 5 GEBDHN CS(=O)(=O)c1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000819264537 653747353 /nfs/dbraw/zinc/74/73/53/653747353.db2.gz WUCIOZKOVJRCSU-OAHLLOKOSA-N 0 3 384.841 2.475 20 5 GEBDHN [NH3+]C1CC2(C1)CC([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C2 ZINC000842796714 653767881 /nfs/dbraw/zinc/76/78/81/653767881.db2.gz DUZOLYMFCMFSBF-UHFFFAOYSA-N 0 3 379.360 2.162 20 5 GEBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC[C@H]1CC1(Cl)Cl ZINC000823247487 653859749 /nfs/dbraw/zinc/85/97/49/653859749.db2.gz GGENJBDBGOXVHK-NSHDSACASA-N 0 3 396.296 2.389 20 5 GEBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000867307863 653912543 /nfs/dbraw/zinc/91/25/43/653912543.db2.gz DJINPZBUDIJLJV-BXKDBHETSA-N 0 3 392.275 2.070 20 5 GEBDHN O=C(NC[C@H]1CCN1C1CCOCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000885872043 653960780 /nfs/dbraw/zinc/96/07/80/653960780.db2.gz BFNNXYPADBTDRU-CYBMUJFWSA-N 0 3 398.257 2.340 20 5 GEBDHN C[C@@H](NCCn1cc(Br)ccc1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834839780 654352477 /nfs/dbraw/zinc/35/24/77/654352477.db2.gz CWYZTJVQXKQBIV-SNVBAGLBSA-N 0 3 381.230 2.452 20 5 GEBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164751920 720803850 /nfs/dbraw/zinc/80/38/50/720803850.db2.gz YDFUYZZAGUPLKR-DLBZAZTESA-N 0 3 392.419 2.275 20 5 GEBDHN Cn1cc(CN2CC[C@H]3CN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)C[C@H]3C2)cn1 ZINC001164768294 721158880 /nfs/dbraw/zinc/15/88/80/721158880.db2.gz OEKNWYLPMFGKSC-LSDHHAIUSA-N 0 3 381.440 2.163 20 5 GEBDHN Cn1cc(CN2CC[C@H]3CN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)C[C@@H]3C2)cn1 ZINC001164768290 721159079 /nfs/dbraw/zinc/15/90/79/721159079.db2.gz OEKNWYLPMFGKSC-GJZGRUSLSA-N 0 3 381.440 2.163 20 5 GEBDHN COc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164984754 722106120 /nfs/dbraw/zinc/10/61/20/722106120.db2.gz UVAOGCRFIIDNGV-AEFFLSMTSA-N 0 3 399.451 2.121 20 5 GEBDHN CN1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000159779826 531793694 /nfs/dbraw/zinc/79/36/94/531793694.db2.gz ZBFWAXGWUIKSQK-UHFFFAOYSA-N 0 3 399.289 2.115 20 5 GEBDHN COc1ccc([C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Br ZINC000174693070 532073845 /nfs/dbraw/zinc/07/38/45/532073845.db2.gz OCSWXXHPLGIEME-GXFFZTMASA-N 0 3 399.245 2.274 20 5 GEBDHN COCCN1CCC[C@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177108148 532161571 /nfs/dbraw/zinc/16/15/71/532161571.db2.gz OSTYKLAFLCXCRP-LBPRGKRZSA-N 0 3 386.246 2.198 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccc(Br)c2Cl)c1 ZINC000517732698 532425724 /nfs/dbraw/zinc/42/57/24/532425724.db2.gz JHNKXXXZRLQXAY-LLVKDONJSA-N 0 3 389.637 2.358 20 5 GEBDHN C[NH+](C)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429332117 532473384 /nfs/dbraw/zinc/47/33/84/532473384.db2.gz SFSWZCKVBYCEEQ-QWRGUYRKSA-N 0 3 392.275 2.118 20 5 GEBDHN C[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000374306518 532497099 /nfs/dbraw/zinc/49/70/99/532497099.db2.gz ALYFJKUNJXKERD-JSGCOSHPSA-N 0 3 398.305 2.215 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCc3c2ccc(F)c3Br)c1 ZINC000565946596 532586280 /nfs/dbraw/zinc/58/62/80/532586280.db2.gz YFXUWNNJZFMUGY-QMTHXVAHSA-N 0 3 399.220 2.331 20 5 GEBDHN N[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1c1ccccc1 ZINC000261728663 532578009 /nfs/dbraw/zinc/57/80/09/532578009.db2.gz ODGPPFDEBOVPEW-DZGCQCFKSA-N 0 3 381.841 2.364 20 5 GEBDHN C[C@@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])cc2I)[C@H]1C ZINC000262906994 532607158 /nfs/dbraw/zinc/60/71/58/532607158.db2.gz YFGNSAOHTCXOPY-IUCAKERBSA-N 0 3 389.193 2.022 20 5 GEBDHN [NH3+][C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000567862121 532667185 /nfs/dbraw/zinc/66/71/85/532667185.db2.gz NAEYOPSHOSJHOP-MWLCHTKSSA-N 0 3 392.275 2.153 20 5 GEBDHN Cc1c(Br)cc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000378256824 532686612 /nfs/dbraw/zinc/68/66/12/532686612.db2.gz ZOMZTBDCUVFYQH-STQMWFEESA-N 0 3 398.257 2.259 20 5 GEBDHN CC[NH+](CC)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000440088475 532707070 /nfs/dbraw/zinc/70/70/70/532707070.db2.gz AAEOXXQDDQUJKE-SNVBAGLBSA-N 0 3 394.291 2.366 20 5 GEBDHN CCC([NH3+])(CC)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440404974 532713280 /nfs/dbraw/zinc/71/32/80/532713280.db2.gz GWTCYMMYDDWSSR-UHFFFAOYSA-N 0 3 380.264 2.153 20 5 GEBDHN CCN1CCN(C[C@H](C)CNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267205951 532737991 /nfs/dbraw/zinc/73/79/91/532737991.db2.gz GRSISWNYIKNXDW-GFCCVEGCSA-N 0 3 386.294 2.438 20 5 GEBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301707607 532758002 /nfs/dbraw/zinc/75/80/02/532758002.db2.gz JCJIHVDJWRHUMV-OAHLLOKOSA-N 0 3 397.273 2.100 20 5 GEBDHN Cc1cc(Br)ccc1CN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444689865 532751164 /nfs/dbraw/zinc/75/11/64/532751164.db2.gz HRDALLDMXUAWOE-OAHLLOKOSA-N 0 3 383.246 2.355 20 5 GEBDHN COC(=O)[C@@H](C)CN(C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554934388 532806489 /nfs/dbraw/zinc/80/64/89/532806489.db2.gz LRKRRXUTTGARMP-VIFPVBQESA-N 0 3 392.193 2.440 20 5 GEBDHN COc1cc(C[NH2+]CCCn2cc(Br)cn2)c([N+](=O)[O-])cc1[O-] ZINC000288471243 532828003 /nfs/dbraw/zinc/82/80/03/532828003.db2.gz OZLHXRYVKJKWHY-UHFFFAOYSA-N 0 3 385.218 2.448 20 5 GEBDHN C[NH+](C)CC(C)(C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416361367 532871463 /nfs/dbraw/zinc/87/14/63/532871463.db2.gz MWCFCBBASJVXEW-UHFFFAOYSA-N 0 3 383.392 2.480 20 5 GEBDHN CNC(=O)[C@H](C)CN(C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000290127898 532873253 /nfs/dbraw/zinc/87/32/53/532873253.db2.gz ZGXDDADBSKUWHM-SECBINFHSA-N 0 3 391.209 2.013 20 5 GEBDHN CN(C)CCN1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291484144 532902649 /nfs/dbraw/zinc/90/26/49/532902649.db2.gz RMVXGXFITANAAA-UHFFFAOYSA-N 0 3 375.256 2.221 20 5 GEBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000367492577 532925694 /nfs/dbraw/zinc/92/56/94/532925694.db2.gz IQLDJCKJEJEOFX-GXTWGEPZSA-N 0 3 399.245 2.342 20 5 GEBDHN C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736266168 598870073 /nfs/dbraw/zinc/87/00/73/598870073.db2.gz GLJZEQXIXNPOTN-UONOGXRCSA-N 0 3 386.460 2.261 20 5 GEBDHN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736266168 598870074 /nfs/dbraw/zinc/87/00/74/598870074.db2.gz GLJZEQXIXNPOTN-UONOGXRCSA-N 0 3 386.460 2.261 20 5 GEBDHN C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736266168 598870075 /nfs/dbraw/zinc/87/00/75/598870075.db2.gz GLJZEQXIXNPOTN-UONOGXRCSA-N 0 3 386.460 2.261 20 5 GEBDHN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736266168 598870076 /nfs/dbraw/zinc/87/00/76/598870076.db2.gz GLJZEQXIXNPOTN-UONOGXRCSA-N 0 3 386.460 2.261 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N3CC[NH+](C4CCCC4)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000738367348 599268291 /nfs/dbraw/zinc/26/82/91/599268291.db2.gz RGZVIUIZIIJTHY-UHFFFAOYSA-N 0 3 394.439 2.388 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N3CC[NH+](C4CCCC4)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000738367348 599268293 /nfs/dbraw/zinc/26/82/93/599268293.db2.gz RGZVIUIZIIJTHY-UHFFFAOYSA-N 0 3 394.439 2.388 20 5 GEBDHN O=[N+]([O-])c1cnc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c(-c2nnn[n-]2)c1 ZINC000823651443 599278086 /nfs/dbraw/zinc/27/80/86/599278086.db2.gz JSVKAASPCYDLII-INIZCTEOSA-N 0 3 380.412 2.419 20 5 GEBDHN O=[N+]([O-])c1cnc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c(-c2nn[n-]n2)c1 ZINC000823651443 599278087 /nfs/dbraw/zinc/27/80/87/599278087.db2.gz JSVKAASPCYDLII-INIZCTEOSA-N 0 3 380.412 2.419 20 5 GEBDHN CC[N@@H+]1CCC[C@H]1CN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821266665 606141904 /nfs/dbraw/zinc/14/19/04/606141904.db2.gz GBEGTCXUERDWEE-ZDUSSCGKSA-N 0 3 382.428 2.244 20 5 GEBDHN CC[N@H+]1CCC[C@H]1CN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821266665 606141905 /nfs/dbraw/zinc/14/19/05/606141905.db2.gz GBEGTCXUERDWEE-ZDUSSCGKSA-N 0 3 382.428 2.244 20 5 GEBDHN CC[N@@H+]1CCC[C@H]1CN(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821266665 606141906 /nfs/dbraw/zinc/14/19/06/606141906.db2.gz GBEGTCXUERDWEE-ZDUSSCGKSA-N 0 3 382.428 2.244 20 5 GEBDHN CC[N@H+]1CCC[C@H]1CN(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821266665 606141907 /nfs/dbraw/zinc/14/19/07/606141907.db2.gz GBEGTCXUERDWEE-ZDUSSCGKSA-N 0 3 382.428 2.244 20 5 GEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H](O)[C@H](CO)C3)o2)c(Br)c1 ZINC000459702146 650430017 /nfs/dbraw/zinc/43/00/17/650430017.db2.gz KZGQHUQKWCTWLR-ZUZCIYMTSA-N 0 3 397.225 2.402 20 5 GEBDHN CN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2I)CC1 ZINC000037286258 642512564 /nfs/dbraw/zinc/51/25/64/642512564.db2.gz MQBRPKPCDFSECQ-UHFFFAOYSA-N 0 3 389.193 2.023 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCN2CCCC2)cc1Br ZINC000193754421 645296117 /nfs/dbraw/zinc/29/61/17/645296117.db2.gz YOXPZMDDNMXHBI-UHFFFAOYSA-N 0 3 392.275 2.122 20 5 GEBDHN CN(C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000297829288 647265395 /nfs/dbraw/zinc/26/53/95/647265395.db2.gz QOFACYUNFZKMBT-UHFFFAOYSA-N 0 3 382.218 2.368 20 5 GEBDHN O=C(CN[C@H](CO)C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000566766800 651611443 /nfs/dbraw/zinc/61/14/43/651611443.db2.gz GPBIBFSXWZIDMB-CQSZACIVSA-N 0 3 386.246 2.437 20 5 GEBDHN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCCN(CCO)CC1 ZINC000610076306 651643930 /nfs/dbraw/zinc/64/39/30/651643930.db2.gz ZCRJIDMPESRAJI-UHFFFAOYSA-N 0 3 395.257 2.410 20 5 GEBDHN CSC[C@@H](CCO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000574441386 652021706 /nfs/dbraw/zinc/02/17/06/652021706.db2.gz KNOBQJSVVQRUTH-LLVKDONJSA-N 0 3 396.250 2.403 20 5 GEBDHN C[C@H]1NCCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)[C@@H]1C ZINC000592547124 652599631 /nfs/dbraw/zinc/59/96/31/652599631.db2.gz NXQCEBKEGAGWAN-RKDXNWHRSA-N 0 3 389.193 2.022 20 5 GEBDHN Cc1cc(Br)c(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000594733518 652678290 /nfs/dbraw/zinc/67/82/90/652678290.db2.gz XBKZNGMMRFNPFR-SNVBAGLBSA-N 0 3 375.248 2.074 20 5 GEBDHN Cc1cc(Br)c(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000594733517 652678408 /nfs/dbraw/zinc/67/84/08/652678408.db2.gz XBKZNGMMRFNPFR-JTQLQIEISA-N 0 3 375.248 2.074 20 5 GEBDHN Cc1c(CN)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)nn1C ZINC000595960039 652743582 /nfs/dbraw/zinc/74/35/82/652743582.db2.gz SDRLWZYKZDZWSJ-UHFFFAOYSA-N 0 3 382.218 2.039 20 5 GEBDHN CN(CCCN1CCN(C)CC1)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599430994 652871022 /nfs/dbraw/zinc/87/10/22/652871022.db2.gz KAHNOPQFASPTRC-UHFFFAOYSA-N 0 3 399.289 2.067 20 5 GEBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000601422767 653093783 /nfs/dbraw/zinc/09/37/83/653093783.db2.gz YIBWSWRNSZANTB-SKDRFNHKSA-N 0 3 381.376 2.327 20 5 GEBDHN O=[N+]([O-])c1sc(CNCC2(N3CCOCC3)CC2)cc1Br ZINC000602631725 653196519 /nfs/dbraw/zinc/19/65/19/653196519.db2.gz GXJQCWIUNDPGHK-UHFFFAOYSA-N 0 3 376.276 2.373 20 5 GEBDHN CC(COC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)[N+](=O)[O-] ZINC000813105999 653462661 /nfs/dbraw/zinc/46/26/61/653462661.db2.gz XGJSBLGBVBOITA-GXFFZTMASA-N 0 3 385.214 2.262 20 5 GEBDHN O=[N+]([O-])c1cccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1Br ZINC000839481968 653650986 /nfs/dbraw/zinc/65/09/86/653650986.db2.gz VVBFWBCPKZLXID-ZFWWWQNUSA-N 0 3 384.274 2.388 20 5 GEBDHN CCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000821401483 653797597 /nfs/dbraw/zinc/79/75/97/653797597.db2.gz USNZVGDOPPULEH-UHFFFAOYSA-N 0 3 385.262 2.496 20 5 GEBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795887476 653975216 /nfs/dbraw/zinc/97/52/16/653975216.db2.gz AMUVKGCGWBCIJV-GWCFXTLKSA-N 0 3 391.852 2.492 20 5 GEBDHN CN1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000867810114 653991114 /nfs/dbraw/zinc/99/11/14/653991114.db2.gz XDBDAFCRTIGOMO-CABZTGNLSA-N 0 3 377.825 2.102 20 5 GEBDHN CC[NH+](CC)[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000917650746 654129785 /nfs/dbraw/zinc/12/97/85/654129785.db2.gz YNEXUSQANJWMCA-JTQLQIEISA-N 0 3 394.291 2.366 20 5 GEBDHN O=[N+]([O-])c1cc(I)cc(CNCCO[C@H]2CCOC2)c1 ZINC000922936905 654420784 /nfs/dbraw/zinc/42/07/84/654420784.db2.gz QKCJIZGLUHERDW-ZDUSSCGKSA-N 0 3 392.193 2.095 20 5 GEBDHN O=[N+]([O-])c1cccc2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc21 ZINC001164736683 720685726 /nfs/dbraw/zinc/68/57/26/720685726.db2.gz AKPZASOTNVVSOL-HZPDHXFCSA-N 0 3 392.419 2.275 20 5 GEBDHN O=[N+]([O-])c1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc2[nH]ccc21 ZINC001164867695 721117367 /nfs/dbraw/zinc/11/73/67/721117367.db2.gz ZPIHOCATUASVIL-CVEARBPZSA-N 0 3 394.435 2.346 20 5 GEBDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)C[C@H]3C2)cn1 ZINC001164768292 721157889 /nfs/dbraw/zinc/15/78/89/721157889.db2.gz OEKNWYLPMFGKSC-HUUCEWRRSA-N 0 3 381.440 2.163 20 5 GEBDHN CCOc1nc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164773408 721171125 /nfs/dbraw/zinc/17/11/25/721171125.db2.gz XDIPUFKNCWMKDH-HZPDHXFCSA-N 0 3 386.456 2.080 20 5 GEBDHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982807 722101383 /nfs/dbraw/zinc/10/13/83/722101383.db2.gz PEHAQPRLMBULJF-IEBWSBKVSA-N 0 3 383.452 2.421 20 5 GEBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000152597360 531561225 /nfs/dbraw/zinc/56/12/25/531561225.db2.gz COXWGIJXMXIMNE-CYBMUJFWSA-N 0 3 394.653 2.053 20 5 GEBDHN Cc1c(Br)cc(S(=O)(=O)NCCN(C)C(C)C)cc1[N+](=O)[O-] ZINC000155617450 531692301 /nfs/dbraw/zinc/69/23/01/531692301.db2.gz BDDVCZNASRQQTB-UHFFFAOYSA-N 0 3 394.291 2.284 20 5 GEBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](O)CN1CCCCC1 ZINC000183662765 532327593 /nfs/dbraw/zinc/32/75/93/532327593.db2.gz KCQVRFLMTJDSHT-ZDUSSCGKSA-N 0 3 387.889 2.303 20 5 GEBDHN COCC[C@@H](COC)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000516860088 532394187 /nfs/dbraw/zinc/39/41/87/532394187.db2.gz ZRWCQQQJCIECDF-LBPRGKRZSA-N 0 3 394.209 2.341 20 5 GEBDHN [NH3+]C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000238026805 532514780 /nfs/dbraw/zinc/51/47/80/532514780.db2.gz MGWPSNGGBZBUQL-BXKDBHETSA-N 0 3 381.376 2.409 20 5 GEBDHN Cc1c(Br)c(N[C@H](C)CCN2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000472683243 532580544 /nfs/dbraw/zinc/58/05/44/532580544.db2.gz LXKAAKWSVACATR-LLVKDONJSA-N 0 3 386.294 2.499 20 5 GEBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)CC1CN(C)C1 ZINC000597206252 532614209 /nfs/dbraw/zinc/61/42/09/532614209.db2.gz NJVPZWNZNBPZPB-UHFFFAOYSA-N 0 3 375.210 2.193 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000285486899 532684264 /nfs/dbraw/zinc/68/42/64/532684264.db2.gz IKGRZHLKMQJYKG-DOMZBBRYSA-N 0 3 389.239 2.172 20 5 GEBDHN C[C@@H](C[S@](C)=O)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289424142 532854555 /nfs/dbraw/zinc/85/45/55/532854555.db2.gz CXOTVOMYRRUSSZ-ASCAZGACSA-N 0 3 382.223 2.056 20 5 GEBDHN CC(C)NC(=O)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289719058 532863727 /nfs/dbraw/zinc/86/37/27/532863727.db2.gz CUOZMXBYRXAGCF-UHFFFAOYSA-N 0 3 391.209 2.204 20 5 GEBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738374951 598944544 /nfs/dbraw/zinc/94/45/44/598944544.db2.gz UVBNQJZKTSOFQA-CQSZACIVSA-N 0 3 380.412 2.246 20 5 GEBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738374951 598944546 /nfs/dbraw/zinc/94/45/46/598944546.db2.gz UVBNQJZKTSOFQA-CQSZACIVSA-N 0 3 380.412 2.246 20 5 GEBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738374951 598944548 /nfs/dbraw/zinc/94/45/48/598944548.db2.gz UVBNQJZKTSOFQA-CQSZACIVSA-N 0 3 380.412 2.246 20 5 GEBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738374951 598944550 /nfs/dbraw/zinc/94/45/50/598944550.db2.gz UVBNQJZKTSOFQA-CQSZACIVSA-N 0 3 380.412 2.246 20 5 GEBDHN CCOCCC[N@@H+]1CC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000736616304 599063259 /nfs/dbraw/zinc/06/32/59/599063259.db2.gz QVOOWXNZJVKMCI-ZFWWWQNUSA-N 0 3 389.460 2.324 20 5 GEBDHN CCOCCC[N@H+]1CC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000736616304 599063263 /nfs/dbraw/zinc/06/32/63/599063263.db2.gz QVOOWXNZJVKMCI-ZFWWWQNUSA-N 0 3 389.460 2.324 20 5 GEBDHN CCOCCC[N@@H+]1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000736616304 599063266 /nfs/dbraw/zinc/06/32/66/599063266.db2.gz QVOOWXNZJVKMCI-ZFWWWQNUSA-N 0 3 389.460 2.324 20 5 GEBDHN CCOCCC[N@H+]1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000736616304 599063269 /nfs/dbraw/zinc/06/32/69/599063269.db2.gz QVOOWXNZJVKMCI-ZFWWWQNUSA-N 0 3 389.460 2.324 20 5 GEBDHN O=[N+]([O-])c1ccc(NCC2([NH+]3CCCCC3)CCOCC2)c(-c2nnn[n-]2)c1 ZINC000738368385 599473099 /nfs/dbraw/zinc/47/30/99/599473099.db2.gz CUQHGZKCQDDUOY-UHFFFAOYSA-N 0 3 387.444 2.222 20 5 GEBDHN O=[N+]([O-])c1ccc(NCC2([NH+]3CCCCC3)CCOCC2)c(-c2nn[n-]n2)c1 ZINC000738368385 599473101 /nfs/dbraw/zinc/47/31/01/599473101.db2.gz CUQHGZKCQDDUOY-UHFFFAOYSA-N 0 3 387.444 2.222 20 5 GEBDHN CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821619481 606789279 /nfs/dbraw/zinc/78/92/79/606789279.db2.gz YUVZBTSBYUUPDM-MRXNPFEDSA-N 0 3 379.424 2.486 20 5 GEBDHN CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821619481 606789281 /nfs/dbraw/zinc/78/92/81/606789281.db2.gz YUVZBTSBYUUPDM-MRXNPFEDSA-N 0 3 379.424 2.486 20 5 GEBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821619243 606789614 /nfs/dbraw/zinc/78/96/14/606789614.db2.gz OWPKMESJPJANDB-MRXNPFEDSA-N 0 3 379.424 2.486 20 5 GEBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821619243 606789616 /nfs/dbraw/zinc/78/96/16/606789616.db2.gz OWPKMESJPJANDB-MRXNPFEDSA-N 0 3 379.424 2.486 20 5 GEBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821619243 606789618 /nfs/dbraw/zinc/78/96/18/606789618.db2.gz OWPKMESJPJANDB-MRXNPFEDSA-N 0 3 379.424 2.486 20 5 GEBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821619243 606789620 /nfs/dbraw/zinc/78/96/20/606789620.db2.gz OWPKMESJPJANDB-MRXNPFEDSA-N 0 3 379.424 2.486 20 5 GEBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[N@@H+]1Cc1ccccc1 ZINC000820668966 606875701 /nfs/dbraw/zinc/87/57/01/606875701.db2.gz XUESLICNYSKIKI-OCCSQVGLSA-N 0 3 380.412 2.245 20 5 GEBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[N@H+]1Cc1ccccc1 ZINC000820668966 606875707 /nfs/dbraw/zinc/87/57/07/606875707.db2.gz XUESLICNYSKIKI-OCCSQVGLSA-N 0 3 380.412 2.245 20 5 GEBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[N@@H+]1Cc1ccccc1 ZINC000820668966 606875709 /nfs/dbraw/zinc/87/57/09/606875709.db2.gz XUESLICNYSKIKI-OCCSQVGLSA-N 0 3 380.412 2.245 20 5 GEBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[N@H+]1Cc1ccccc1 ZINC000820668966 606875711 /nfs/dbraw/zinc/87/57/11/606875711.db2.gz XUESLICNYSKIKI-OCCSQVGLSA-N 0 3 380.412 2.245 20 5 GEBDHN CC(C)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824255188 608061605 /nfs/dbraw/zinc/06/16/05/608061605.db2.gz BXGAYPXAIBGWBT-UHFFFAOYSA-N 0 3 397.439 2.095 20 5 GEBDHN CC(C)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824255188 608061606 /nfs/dbraw/zinc/06/16/06/608061606.db2.gz BXGAYPXAIBGWBT-UHFFFAOYSA-N 0 3 397.439 2.095 20 5 GEBDHN CC(C)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824255188 608061607 /nfs/dbraw/zinc/06/16/07/608061607.db2.gz BXGAYPXAIBGWBT-UHFFFAOYSA-N 0 3 397.439 2.095 20 5 GEBDHN CC(C)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824255188 608061608 /nfs/dbraw/zinc/06/16/08/608061608.db2.gz BXGAYPXAIBGWBT-UHFFFAOYSA-N 0 3 397.439 2.095 20 5 GEBDHN C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824585248 608462757 /nfs/dbraw/zinc/46/27/57/608462757.db2.gz OPFJQDJEXDDJCC-GFCCVEGCSA-N 0 3 381.396 2.454 20 5 GEBDHN C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585248 608462759 /nfs/dbraw/zinc/46/27/59/608462759.db2.gz OPFJQDJEXDDJCC-GFCCVEGCSA-N 0 3 381.396 2.454 20 5 GEBDHN CCCN(CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447040231 649995564 /nfs/dbraw/zinc/99/55/64/649995564.db2.gz RMSXPZDNGDBONO-UHFFFAOYSA-N 0 3 394.291 2.368 20 5 GEBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000516678088 650600484 /nfs/dbraw/zinc/60/04/84/650600484.db2.gz CUVOAPWVQGYGSL-NSHDSACASA-N 0 3 377.438 2.141 20 5 GEBDHN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCN(C2CC2)C1 ZINC000532574415 650750292 /nfs/dbraw/zinc/75/02/92/650750292.db2.gz CBQYJTGTVLRYPC-CYBMUJFWSA-N 0 3 397.273 2.464 20 5 GEBDHN COCCN(CCN(C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267906191 645933315 /nfs/dbraw/zinc/93/33/15/645933315.db2.gz AZLSUHOCVBGUQQ-UHFFFAOYSA-N 0 3 392.225 2.147 20 5 GEBDHN CCN1CCN(C[C@H](C)CNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000277153428 646383666 /nfs/dbraw/zinc/38/36/66/646383666.db2.gz RQUSCUGASIGPSS-GFCCVEGCSA-N 0 3 386.294 2.438 20 5 GEBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301907472 647276709 /nfs/dbraw/zinc/27/67/09/647276709.db2.gz AOGHBTBOPWKOPH-HNNXBMFYSA-N 0 3 397.273 2.276 20 5 GEBDHN CN(C)CCn1nnnc1SCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000558831576 651286551 /nfs/dbraw/zinc/28/65/51/651286551.db2.gz KNJNNWHHRHPWSK-UHFFFAOYSA-N 0 3 376.364 2.454 20 5 GEBDHN [NH3+][C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000566223584 651604102 /nfs/dbraw/zinc/60/41/02/651604102.db2.gz RKRSZHIYGYCQKJ-KOLCDFICSA-N 0 3 381.376 2.409 20 5 GEBDHN CN(C)C[C@@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000732803951 651675504 /nfs/dbraw/zinc/67/55/04/651675504.db2.gz QTUASMBNKHYYOF-NSHDSACASA-N 0 3 377.413 2.369 20 5 GEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CC12CC[NH2+]CC2 ZINC000592390461 652593251 /nfs/dbraw/zinc/59/32/51/652593251.db2.gz UXRHGDFUHKXOJK-LBPRGKRZSA-N 0 3 379.360 2.034 20 5 GEBDHN CN1CCC[C@H]1C(=O)N1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000765551182 652843490 /nfs/dbraw/zinc/84/34/90/652843490.db2.gz CRJBBMVYMXFPJQ-AWEZNQCLSA-N 0 3 397.273 2.100 20 5 GEBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000601421279 653093795 /nfs/dbraw/zinc/09/37/95/653093795.db2.gz DLLUGBNDPVZJGV-TVQRCGJNSA-N 0 3 392.275 2.070 20 5 GEBDHN O=[N+]([O-])c1sc(CNC[C@H]2CCCCN2CCO)cc1Br ZINC000602675150 653200074 /nfs/dbraw/zinc/20/00/74/653200074.db2.gz RMTVDRAGVRUOMP-SNVBAGLBSA-N 0 3 378.292 2.355 20 5 GEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809822249 653302371 /nfs/dbraw/zinc/30/23/71/653302371.db2.gz FIOAIDRVOYDSSZ-SNVBAGLBSA-N 0 3 379.841 2.492 20 5 GEBDHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000810091505 653323692 /nfs/dbraw/zinc/32/36/92/653323692.db2.gz YOMRYCGFSAWYRR-SNVBAGLBSA-N 0 3 394.291 2.364 20 5 GEBDHN CC(COC(=O)c1ccc([N+](=O)[O-])cc1I)[N+](=O)[O-] ZINC000813107307 653462689 /nfs/dbraw/zinc/46/26/89/653462689.db2.gz OYBFYCWZXVEHJT-LURJTMIESA-N 0 3 380.094 2.021 20 5 GEBDHN CC(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)[N+](=O)[O-] ZINC000813106310 653462845 /nfs/dbraw/zinc/46/28/45/653462845.db2.gz ALAOEPKVEXPZIO-LLVKDONJSA-N 0 3 390.845 2.337 20 5 GEBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)[N+](=O)[O-] ZINC000813106000 653462931 /nfs/dbraw/zinc/46/29/31/653462931.db2.gz XGJSBLGBVBOITA-MFKMUULPSA-N 0 3 385.214 2.262 20 5 GEBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000815024902 653645080 /nfs/dbraw/zinc/64/50/80/653645080.db2.gz ORLNEDGQVZNCDD-ZWNOBZJWSA-N 0 3 391.852 2.492 20 5 GEBDHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000784724543 653698950 /nfs/dbraw/zinc/69/89/50/653698950.db2.gz QWDOPNWZIRRYKD-VXGBXAGGSA-N 0 3 392.275 2.118 20 5 GEBDHN CCN1CCN(CCC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000881863840 653744377 /nfs/dbraw/zinc/74/43/77/653744377.db2.gz HGJCNNBIDVISNW-UHFFFAOYSA-N 0 3 399.289 2.001 20 5 GEBDHN C[C@@]1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCC[NH2+]C1 ZINC000842827394 653770061 /nfs/dbraw/zinc/77/00/61/653770061.db2.gz GJKIIKLSCXAWPX-CYBMUJFWSA-N 0 3 392.275 2.025 20 5 GEBDHN CC1(C)CCNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000866804071 653828908 /nfs/dbraw/zinc/82/89/08/653828908.db2.gz PTPPXKRNSCNUOC-UHFFFAOYSA-N 0 3 381.376 2.376 20 5 GEBDHN CCN1CCN(CCNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000897598310 653929551 /nfs/dbraw/zinc/92/95/51/653929551.db2.gz QDGMIRDYBFCQKY-UHFFFAOYSA-N 0 3 393.246 2.408 20 5 GEBDHN CN(C)CC1(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000798470665 654065033 /nfs/dbraw/zinc/06/50/33/654065033.db2.gz ISCQAYNPQXIKIV-UHFFFAOYSA-N 0 3 392.275 2.120 20 5 GEBDHN C[C@]1(Br)C[C@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000893563836 654408436 /nfs/dbraw/zinc/40/84/36/654408436.db2.gz ULHGLCQOFHNZJY-GWCFXTLKSA-N 0 3 377.260 2.132 20 5 GEBDHN CC(C)N1CCCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 ZINC000931793922 654757286 /nfs/dbraw/zinc/75/72/86/654757286.db2.gz JEGFPRVSDSQVHP-UHFFFAOYSA-N 0 3 385.262 2.496 20 5 GEBDHN CS[C@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C[C@H]1N(C)C ZINC000935111502 654876515 /nfs/dbraw/zinc/87/65/15/654876515.db2.gz PSPGWXZEACBMRA-ZJUUUORDSA-N 0 3 376.841 2.087 20 5 GEBDHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)c(C)cc1[N+](=O)[O-])CC2 ZINC001164686123 719711870 /nfs/dbraw/zinc/71/18/70/719711870.db2.gz XGOUELYRTCFUEQ-UHFFFAOYSA-N 0 3 381.864 2.132 20 5 GEBDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)C[C@@H]3C2)cn1 ZINC001164768286 721157709 /nfs/dbraw/zinc/15/77/09/721157709.db2.gz OEKNWYLPMFGKSC-CABCVRRESA-N 0 3 381.440 2.163 20 5 GEBDHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5cccc([N+](=O)[O-])c54)C[C@H]3C2)cn1 ZINC001164763868 721233676 /nfs/dbraw/zinc/23/36/76/721233676.db2.gz NJLKGRYFRGSNJR-HZPDHXFCSA-N 0 3 393.451 2.230 20 5 GEBDHN COc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164976650 722111110 /nfs/dbraw/zinc/11/11/10/722111110.db2.gz LZWLUIBWPATPRZ-QFBILLFUSA-N 0 3 399.451 2.121 20 5 GEBDHN O=C(NCCN1CCCC1)c1ccc([N+](=O)[O-])cc1I ZINC000172126812 531934096 /nfs/dbraw/zinc/93/40/96/531934096.db2.gz IHZOHQVMYGBKHP-UHFFFAOYSA-N 0 3 389.193 2.025 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccc(Br)c2Cl)c1 ZINC000517732699 532426020 /nfs/dbraw/zinc/42/60/20/532426020.db2.gz JHNKXXXZRLQXAY-NSHDSACASA-N 0 3 389.637 2.358 20 5 GEBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596167621 532589518 /nfs/dbraw/zinc/58/95/18/532589518.db2.gz FEWWAATXLKQTKD-CQSZACIVSA-N 0 3 397.273 2.100 20 5 GEBDHN CCC(CC)(C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440406119 532712851 /nfs/dbraw/zinc/71/28/51/532712851.db2.gz FZPFUVHDHTXHAX-UHFFFAOYSA-N 0 3 380.264 2.153 20 5 GEBDHN CCC([NH3+])(CC)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440412843 532713797 /nfs/dbraw/zinc/71/37/97/532713797.db2.gz LWVPCMFFGUMBGR-UHFFFAOYSA-N 0 3 380.264 2.153 20 5 GEBDHN CN(C)[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCSC1 ZINC000272263725 532814186 /nfs/dbraw/zinc/81/41/86/532814186.db2.gz BZTPLCUVVZNZAZ-HNNXBMFYSA-N 0 3 375.397 2.363 20 5 GEBDHN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1CNCCC1(F)F ZINC000415699706 532853880 /nfs/dbraw/zinc/85/38/80/532853880.db2.gz KAGUQCSBRJXVEG-SNVBAGLBSA-N 0 3 379.161 2.476 20 5 GEBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@H]2CC[C@@H](O)C2)c1 ZINC000289594138 532860004 /nfs/dbraw/zinc/86/00/04/532860004.db2.gz ULACFHBPZVAXCP-TVQRCGJNSA-N 0 3 376.194 2.450 20 5 GEBDHN CC(C)C(=O)NCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289959727 532868757 /nfs/dbraw/zinc/86/87/57/532868757.db2.gz QPWCGNLMQZQMRW-UHFFFAOYSA-N 0 3 391.209 2.061 20 5 GEBDHN CNC(=O)CN1CCC(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290907968 532892385 /nfs/dbraw/zinc/89/23/85/532892385.db2.gz OUNLMNGRUCFDCA-UHFFFAOYSA-N 0 3 375.256 2.202 20 5 GEBDHN C[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000364378010 532906339 /nfs/dbraw/zinc/90/63/39/532906339.db2.gz CGSCBDCGMWKTFJ-LBPRGKRZSA-N 0 3 398.305 2.357 20 5 GEBDHN CN1CC[C@]2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C2)C1 ZINC000291999209 532911744 /nfs/dbraw/zinc/91/17/44/532911744.db2.gz LFALQLXVLUZYOY-AWEZNQCLSA-N 0 3 377.825 2.104 20 5 GEBDHN C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736266166 598869538 /nfs/dbraw/zinc/86/95/38/598869538.db2.gz GLJZEQXIXNPOTN-KBPBESRZSA-N 0 3 386.460 2.261 20 5 GEBDHN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736266166 598869539 /nfs/dbraw/zinc/86/95/39/598869539.db2.gz GLJZEQXIXNPOTN-KBPBESRZSA-N 0 3 386.460 2.261 20 5 GEBDHN C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736266166 598869540 /nfs/dbraw/zinc/86/95/40/598869540.db2.gz GLJZEQXIXNPOTN-KBPBESRZSA-N 0 3 386.460 2.261 20 5 GEBDHN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736266166 598869542 /nfs/dbraw/zinc/86/95/42/598869542.db2.gz GLJZEQXIXNPOTN-KBPBESRZSA-N 0 3 386.460 2.261 20 5 GEBDHN C[NH+](C)CCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000821585991 607114320 /nfs/dbraw/zinc/11/43/20/607114320.db2.gz FFLIDJWSYIDBAU-UHFFFAOYSA-N 0 3 385.403 2.482 20 5 GEBDHN C[NH+](C)CCN(Cc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821586346 607114737 /nfs/dbraw/zinc/11/47/37/607114737.db2.gz UGGNVCCLDSHYGI-UHFFFAOYSA-N 0 3 385.403 2.482 20 5 GEBDHN C[C@H](NCCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824584953 608564019 /nfs/dbraw/zinc/56/40/19/608564019.db2.gz KHIHNYFDVGJVTB-LBPRGKRZSA-N 0 3 381.396 2.454 20 5 GEBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447032341 649995275 /nfs/dbraw/zinc/99/52/75/649995275.db2.gz XDNAJGVIHJQZTK-SNVBAGLBSA-N 0 3 394.291 2.366 20 5 GEBDHN CN(C[C@H]1CCN(C)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462291423 650473483 /nfs/dbraw/zinc/47/34/83/650473483.db2.gz QYOYVWYWGLHWQO-VIFPVBQESA-N 0 3 382.269 2.474 20 5 GEBDHN CSc1ccc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000065978413 642894087 /nfs/dbraw/zinc/89/40/87/642894087.db2.gz GTSZLIBPBHBUPD-UHFFFAOYSA-N 0 3 381.479 2.385 20 5 GEBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1N(C)C ZINC000495728986 650827236 /nfs/dbraw/zinc/82/72/36/650827236.db2.gz PBBYZAZBKYZREL-QWHCGFSZSA-N 0 3 388.287 2.475 20 5 GEBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000116347574 643458971 /nfs/dbraw/zinc/45/89/71/643458971.db2.gz JRUKFYZNZWAPRT-JTQLQIEISA-N 0 3 392.275 2.072 20 5 GEBDHN CC(C)C[C@](C)(C[NH3+])[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000124464727 643687032 /nfs/dbraw/zinc/68/70/32/643687032.db2.gz GEOMWQLKMASDLX-CYBMUJFWSA-N 0 3 394.291 2.399 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000237796496 645442158 /nfs/dbraw/zinc/44/21/58/645442158.db2.gz HVZVXBPVVVOGIL-SNVBAGLBSA-N 0 3 381.376 2.282 20 5 GEBDHN CCN1CCN(C[C@@H](C)CNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000268454888 645969970 /nfs/dbraw/zinc/96/99/70/645969970.db2.gz BTFWPNLHZYULGM-LBPRGKRZSA-N 0 3 386.294 2.438 20 5 GEBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301907478 647276727 /nfs/dbraw/zinc/27/67/27/647276727.db2.gz AOGHBTBOPWKOPH-OAHLLOKOSA-N 0 3 397.273 2.276 20 5 GEBDHN CS[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000330546901 647344930 /nfs/dbraw/zinc/34/49/30/647344930.db2.gz PWSWOCFCALLLMT-STQMWFEESA-N 0 3 388.287 2.475 20 5 GEBDHN CN1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000378492944 647883196 /nfs/dbraw/zinc/88/31/96/647883196.db2.gz HZRKBTUANMKQTB-NHYWBVRUSA-N 0 3 382.258 2.452 20 5 GEBDHN CN(C)C1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000416469752 648136098 /nfs/dbraw/zinc/13/60/98/648136098.db2.gz DYYZCCBNNASIIX-UHFFFAOYSA-N 0 3 381.376 2.376 20 5 GEBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC(F)(F)C1 ZINC000420973116 648460712 /nfs/dbraw/zinc/46/07/12/648460712.db2.gz MBJNINSBVNCGRV-LBPRGKRZSA-N 0 3 377.413 2.240 20 5 GEBDHN C[C@]1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000440848059 648816865 /nfs/dbraw/zinc/81/68/65/648816865.db2.gz UVYXELSNGCTEAX-ZDUSSCGKSA-N 0 3 392.275 2.025 20 5 GEBDHN CCN1CCN(CCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000557158660 651265365 /nfs/dbraw/zinc/26/53/65/651265365.db2.gz DNWLNJOBQNRPIA-UHFFFAOYSA-N 0 3 385.262 2.323 20 5 GEBDHN C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)CCN1C ZINC000719385458 651476105 /nfs/dbraw/zinc/47/61/05/651476105.db2.gz HCUURWVLRLGADB-UFBFGSQYSA-N 0 3 389.193 2.022 20 5 GEBDHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000570703116 651784928 /nfs/dbraw/zinc/78/49/28/651784928.db2.gz JOGMLGMKQVXATO-SNVBAGLBSA-N 0 3 394.291 2.364 20 5 GEBDHN COC[C@@](C)(CCO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000576743030 652141284 /nfs/dbraw/zinc/14/12/84/652141284.db2.gz DLNBFEJJKIQAKS-CYBMUJFWSA-N 0 3 394.209 2.077 20 5 GEBDHN CS(=O)(=O)N1CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000581948575 652428665 /nfs/dbraw/zinc/42/86/65/652428665.db2.gz RUZDEKJWOOFGKY-CYBMUJFWSA-N 0 3 381.479 2.447 20 5 GEBDHN CSc1ccc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000582091615 652435230 /nfs/dbraw/zinc/43/52/30/652435230.db2.gz AUUIZGRCKNWZSK-UHFFFAOYSA-N 0 3 387.508 2.446 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CSc3ccc(Br)cc32)c1 ZINC000582541383 652454520 /nfs/dbraw/zinc/45/45/20/652454520.db2.gz ASDCKMAEIKQZTH-DGCLKSJQSA-N 0 3 399.270 2.351 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC000599666925 652883039 /nfs/dbraw/zinc/88/30/39/652883039.db2.gz OYCHJRSMIYBFJZ-CABCVRRESA-N 0 3 389.239 2.172 20 5 GEBDHN CS[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H]1N1CCCC1 ZINC000601145889 652956458 /nfs/dbraw/zinc/95/64/58/652956458.db2.gz VASFGWIBSUDUNY-NXEZZACHSA-N 0 3 379.408 2.363 20 5 GEBDHN CSC1(C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000601416598 653093094 /nfs/dbraw/zinc/09/30/94/653093094.db2.gz SJRRZCUYVXDUNW-UHFFFAOYSA-N 0 3 379.529 2.070 20 5 GEBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000601421371 653093781 /nfs/dbraw/zinc/09/37/81/653093781.db2.gz JWOLRQDWYVEGQC-BXKDBHETSA-N 0 3 392.275 2.070 20 5 GEBDHN O=[N+]([O-])c1cc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1Br ZINC000769326732 653148971 /nfs/dbraw/zinc/14/89/71/653148971.db2.gz GCWRWWOVWGBKMS-HOCLYGCPSA-N 0 3 384.274 2.388 20 5 GEBDHN O=[N+]([O-])c1sc(CNC[C@@H]2CCCN2CCCO)cc1Br ZINC000602673202 653199736 /nfs/dbraw/zinc/19/97/36/653199736.db2.gz JGZVUALVDQSNOS-JTQLQIEISA-N 0 3 378.292 2.355 20 5 GEBDHN CCN(CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Br ZINC000810048756 653319053 /nfs/dbraw/zinc/31/90/53/653319053.db2.gz CYTBHNOYMMQYQU-UHFFFAOYSA-N 0 3 381.248 2.408 20 5 GEBDHN CC(COC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1)[N+](=O)[O-] ZINC000813113563 653463473 /nfs/dbraw/zinc/46/34/73/653463473.db2.gz RPRFDNHSNYUQPC-ZWNOBZJWSA-N 0 3 385.214 2.149 20 5 GEBDHN CCN(CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)C ZINC000780855075 653633599 /nfs/dbraw/zinc/63/35/99/653633599.db2.gz DUGQEVBBFNNBBW-UHFFFAOYSA-N 0 3 394.291 2.366 20 5 GEBDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815028135 653645649 /nfs/dbraw/zinc/64/56/49/653645649.db2.gz RMJSBHYEBKHOCE-ZWNOBZJWSA-N 0 3 391.852 2.492 20 5 GEBDHN COC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(Br)c1 ZINC000879662736 653677884 /nfs/dbraw/zinc/67/78/84/653677884.db2.gz JZIIZQOHFROKCD-OAHLLOKOSA-N 0 3 396.241 2.496 20 5 GEBDHN CN(CC(=O)NCCN1CCCCC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000795243554 653940771 /nfs/dbraw/zinc/94/07/71/653940771.db2.gz QPMQDAXSSBVPBO-UHFFFAOYSA-N 0 3 399.289 2.396 20 5 GEBDHN C[C@H]1CCC[N@H+](CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000798225856 654054880 /nfs/dbraw/zinc/05/48/80/654054880.db2.gz OXHFQBHERFJTGS-JTQLQIEISA-N 0 3 379.841 2.398 20 5 GEBDHN C[C@H]1CCC[N@@H+](CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000798225856 654054882 /nfs/dbraw/zinc/05/48/82/654054882.db2.gz OXHFQBHERFJTGS-JTQLQIEISA-N 0 3 379.841 2.398 20 5 GEBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000828958485 654056255 /nfs/dbraw/zinc/05/62/55/654056255.db2.gz FWICJINKIWLMNI-RYUDHWBXSA-N 0 3 383.246 2.248 20 5 GEBDHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)cc(C)c1[N+](=O)[O-])CC2 ZINC001164685168 719710607 /nfs/dbraw/zinc/71/06/07/719710607.db2.gz RORUOHMKCGLAJK-UHFFFAOYSA-N 0 3 381.864 2.132 20 5 GEBDHN CCOc1nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164773407 721172340 /nfs/dbraw/zinc/17/23/40/721172340.db2.gz XDIPUFKNCWMKDH-HOTGVXAUSA-N 0 3 386.456 2.080 20 5 GEBDHN COCCN(CCN(C)C)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000121938149 532052460 /nfs/dbraw/zinc/05/24/60/532052460.db2.gz PQXJJRASVSVGJT-UHFFFAOYSA-N 0 3 388.262 2.316 20 5 GEBDHN [NH3+]C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000124541859 532122948 /nfs/dbraw/zinc/12/29/48/532122948.db2.gz MMDRAQWJGYIPID-TVQRCGJNSA-N 0 3 392.275 2.153 20 5 GEBDHN O=C(CN1CCN2CCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000178632617 532207976 /nfs/dbraw/zinc/20/79/76/532207976.db2.gz YQXWFMJTAPWMLL-GFCCVEGCSA-N 0 3 383.246 2.076 20 5 GEBDHN CC(C)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Br ZINC000181524043 532300051 /nfs/dbraw/zinc/30/00/51/532300051.db2.gz QEZQCFQZRQUZPI-GFCCVEGCSA-N 0 3 383.246 2.440 20 5 GEBDHN CN1CCC[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000567868945 532668395 /nfs/dbraw/zinc/66/83/95/532668395.db2.gz LDIJULGSIIBTQZ-JTQLQIEISA-N 0 3 381.376 2.234 20 5 GEBDHN CN(C)C[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000264938888 532684859 /nfs/dbraw/zinc/68/48/59/532684859.db2.gz HKVLWILCJHMUPN-JTQLQIEISA-N 0 3 381.376 2.276 20 5 GEBDHN [NH3+]C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440411408 532712771 /nfs/dbraw/zinc/71/27/71/532712771.db2.gz ZNFOBOJLBSJBER-SKDRFNHKSA-N 0 3 392.275 2.153 20 5 GEBDHN CN(C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1 ZINC000445744486 532754057 /nfs/dbraw/zinc/75/40/57/532754057.db2.gz VTQILVCICCSFQX-UHFFFAOYSA-N 0 3 381.376 2.376 20 5 GEBDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000359996624 209211621 /nfs/dbraw/zinc/21/16/21/209211621.db2.gz RPGURXGUKHNYGV-CWRNSKLLSA-N 0 3 379.461 2.417 20 5 GEBDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C2)C1 ZINC000292057086 532912460 /nfs/dbraw/zinc/91/24/60/532912460.db2.gz OGEOAEOBAIHRDQ-CQSZACIVSA-N 0 3 377.825 2.104 20 5 GEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000368550068 532933394 /nfs/dbraw/zinc/93/33/94/532933394.db2.gz FSTHTXSWEXRTMS-GHMZBOCLSA-N 0 3 383.246 2.451 20 5 GEBDHN CCOCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H](C)C1 ZINC000736617622 599063418 /nfs/dbraw/zinc/06/34/18/599063418.db2.gz ZIACQLIVPBHBKW-CJNGLKHVSA-N 0 3 389.460 2.324 20 5 GEBDHN CCOCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H](C)C1 ZINC000736617622 599063421 /nfs/dbraw/zinc/06/34/21/599063421.db2.gz ZIACQLIVPBHBKW-CJNGLKHVSA-N 0 3 389.460 2.324 20 5 GEBDHN CCOCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H](C)C1 ZINC000736617622 599063425 /nfs/dbraw/zinc/06/34/25/599063425.db2.gz ZIACQLIVPBHBKW-CJNGLKHVSA-N 0 3 389.460 2.324 20 5 GEBDHN CCOCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H](C)C1 ZINC000736617622 599063429 /nfs/dbraw/zinc/06/34/29/599063429.db2.gz ZIACQLIVPBHBKW-CJNGLKHVSA-N 0 3 389.460 2.324 20 5 GEBDHN C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821614723 599081339 /nfs/dbraw/zinc/08/13/39/599081339.db2.gz SBEFCPXXSCNVJA-MRXNPFEDSA-N 0 3 379.424 2.486 20 5 GEBDHN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821614723 599081341 /nfs/dbraw/zinc/08/13/41/599081341.db2.gz SBEFCPXXSCNVJA-MRXNPFEDSA-N 0 3 379.424 2.486 20 5 GEBDHN C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821614723 599081343 /nfs/dbraw/zinc/08/13/43/599081343.db2.gz SBEFCPXXSCNVJA-MRXNPFEDSA-N 0 3 379.424 2.486 20 5 GEBDHN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821614723 599081346 /nfs/dbraw/zinc/08/13/46/599081346.db2.gz SBEFCPXXSCNVJA-MRXNPFEDSA-N 0 3 379.424 2.486 20 5 GEBDHN COc1ccc(OCC[N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000821842582 599559394 /nfs/dbraw/zinc/55/93/94/599559394.db2.gz SGUCVXLVEWPZQA-UHFFFAOYSA-N 0 3 384.396 2.294 20 5 GEBDHN COc1ccc(OCC[N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000821842582 599559396 /nfs/dbraw/zinc/55/93/96/599559396.db2.gz SGUCVXLVEWPZQA-UHFFFAOYSA-N 0 3 384.396 2.294 20 5 GEBDHN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820761629 606470764 /nfs/dbraw/zinc/47/07/64/606470764.db2.gz YVQIGNFOCVSBMS-DYVFJYSZSA-N 0 3 394.439 2.492 20 5 GEBDHN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820761629 606470766 /nfs/dbraw/zinc/47/07/66/606470766.db2.gz YVQIGNFOCVSBMS-DYVFJYSZSA-N 0 3 394.439 2.492 20 5 GEBDHN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820761629 606470768 /nfs/dbraw/zinc/47/07/68/606470768.db2.gz YVQIGNFOCVSBMS-DYVFJYSZSA-N 0 3 394.439 2.492 20 5 GEBDHN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820761629 606470769 /nfs/dbraw/zinc/47/07/69/606470769.db2.gz YVQIGNFOCVSBMS-DYVFJYSZSA-N 0 3 394.439 2.492 20 5 GEBDHN C[N@@H+]1CCC[C@H]2CN(c3cc(-c4nnn[n-]4)c4cc([N+](=O)[O-])ccc4n3)CC[C@H]21 ZINC000821625064 607030453 /nfs/dbraw/zinc/03/04/53/607030453.db2.gz FALKAARTJCOKPK-YVEFUNNKSA-N 0 3 394.439 2.244 20 5 GEBDHN C[N@H+]1CCC[C@H]2CN(c3cc(-c4nnn[n-]4)c4cc([N+](=O)[O-])ccc4n3)CC[C@H]21 ZINC000821625064 607030455 /nfs/dbraw/zinc/03/04/55/607030455.db2.gz FALKAARTJCOKPK-YVEFUNNKSA-N 0 3 394.439 2.244 20 5 GEBDHN C[N@@H+]1CCC[C@H]2CN(c3cc(-c4nn[n-]n4)c4cc([N+](=O)[O-])ccc4n3)CC[C@H]21 ZINC000821625064 607030456 /nfs/dbraw/zinc/03/04/56/607030456.db2.gz FALKAARTJCOKPK-YVEFUNNKSA-N 0 3 394.439 2.244 20 5 GEBDHN C[N@H+]1CCC[C@H]2CN(c3cc(-c4nn[n-]n4)c4cc([N+](=O)[O-])ccc4n3)CC[C@H]21 ZINC000821625064 607030458 /nfs/dbraw/zinc/03/04/58/607030458.db2.gz FALKAARTJCOKPK-YVEFUNNKSA-N 0 3 394.439 2.244 20 5 GEBDHN COc1ccc(C[C@](C)([NH3+])CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000826191069 607838286 /nfs/dbraw/zinc/83/82/86/607838286.db2.gz WGCGWNPDBPYVHW-SFHVURJKSA-N 0 3 383.412 2.156 20 5 GEBDHN COc1ccc(C[C@](C)([NH3+])CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000826191069 607838287 /nfs/dbraw/zinc/83/82/87/607838287.db2.gz WGCGWNPDBPYVHW-SFHVURJKSA-N 0 3 383.412 2.156 20 5 GEBDHN CC[N@@H+]1C[C@H](C)N(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000825450558 608232236 /nfs/dbraw/zinc/23/22/36/608232236.db2.gz AUXCDNVBQOAQRT-RYUDHWBXSA-N 0 3 382.428 2.242 20 5 GEBDHN CC[N@H+]1C[C@H](C)N(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000825450558 608232237 /nfs/dbraw/zinc/23/22/37/608232237.db2.gz AUXCDNVBQOAQRT-RYUDHWBXSA-N 0 3 382.428 2.242 20 5 GEBDHN CC[N@@H+]1C[C@H](C)N(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000825450558 608232238 /nfs/dbraw/zinc/23/22/38/608232238.db2.gz AUXCDNVBQOAQRT-RYUDHWBXSA-N 0 3 382.428 2.242 20 5 GEBDHN CC[N@H+]1C[C@H](C)N(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000825450558 608232240 /nfs/dbraw/zinc/23/22/40/608232240.db2.gz AUXCDNVBQOAQRT-RYUDHWBXSA-N 0 3 382.428 2.242 20 5 GEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000824384367 608285132 /nfs/dbraw/zinc/28/51/32/608285132.db2.gz BEKBFKIWNIFZLF-LLVKDONJSA-N 0 3 399.386 2.421 20 5 GEBDHN Cc1cc(C)c([N+](=O)[O-])c(N(CC[NH+](C)C)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826263603 609384989 /nfs/dbraw/zinc/38/49/89/609384989.db2.gz JLKPKAFIUFESAV-UHFFFAOYSA-N 0 3 396.455 2.355 20 5 GEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2CS(=O)(=O)CCO2)s1 ZINC000507862345 650468620 /nfs/dbraw/zinc/46/86/20/650468620.db2.gz UXDAUDKXHKJRST-GFCCVEGCSA-N 0 3 382.463 2.227 20 5 GEBDHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000494438081 650808430 /nfs/dbraw/zinc/80/84/30/650808430.db2.gz QDAPRJNVWOHAMX-UKRRQHHQSA-N 0 3 384.230 2.453 20 5 GEBDHN O=[N+]([O-])c1ccn(CCN2CCC(Cn3cc(Br)cn3)CC2)n1 ZINC000364908279 647648153 /nfs/dbraw/zinc/64/81/53/647648153.db2.gz BYZPZSJPBYTIEF-UHFFFAOYSA-N 0 3 383.250 2.163 20 5 GEBDHN CC1(C)[C@H](O)C[C@@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000558490821 651280698 /nfs/dbraw/zinc/28/06/98/651280698.db2.gz IJMNCFJSFKJPNP-NWDGAFQWSA-N 0 3 376.194 2.448 20 5 GEBDHN C[C@H](CCNCc1cc(I)cc([N+](=O)[O-])c1)[S@@](C)=O ZINC000580178425 652369025 /nfs/dbraw/zinc/36/90/25/652369025.db2.gz XTVVGQANQAWUAY-AYLIAGHASA-N 0 3 396.250 2.446 20 5 GEBDHN CC(C)[N@H+](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000589296733 652564985 /nfs/dbraw/zinc/56/49/85/652564985.db2.gz DDLWVRUUWOECGS-SNVBAGLBSA-N 0 3 394.291 2.364 20 5 GEBDHN CC(C)[N@@H+](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000589296733 652564986 /nfs/dbraw/zinc/56/49/86/652564986.db2.gz DDLWVRUUWOECGS-SNVBAGLBSA-N 0 3 394.291 2.364 20 5 GEBDHN CSC1(CNS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCN(C)CC1 ZINC000589295371 652565034 /nfs/dbraw/zinc/56/50/34/652565034.db2.gz ZMVKPJIZWPHKPP-UHFFFAOYSA-N 0 3 387.527 2.317 20 5 GEBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000592547122 652599454 /nfs/dbraw/zinc/59/94/54/652599454.db2.gz NXQCEBKEGAGWAN-DTWKUNHWSA-N 0 3 389.193 2.022 20 5 GEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCC1CC[NH2+]CC1 ZINC000593732440 652634042 /nfs/dbraw/zinc/63/40/42/652634042.db2.gz MLGKCYRCSHUQGK-UHFFFAOYSA-N 0 3 381.376 2.282 20 5 GEBDHN CC(C)N(C)C[C@H](C)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000809861023 653311576 /nfs/dbraw/zinc/31/15/76/653311576.db2.gz KUUYKJYUQLNUOY-JTQLQIEISA-N 0 3 394.291 2.364 20 5 GEBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1cc([N+](=O)[O-])ncc1Br ZINC000863031613 653700573 /nfs/dbraw/zinc/70/05/73/653700573.db2.gz IPKQFWHETYSAKG-LLVKDONJSA-N 0 3 383.246 2.499 20 5 GEBDHN NC(=O)c1cn(CCCCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])nn1 ZINC000840979030 653704501 /nfs/dbraw/zinc/70/45/01/653704501.db2.gz YTGLPYGBIKUQPO-UHFFFAOYSA-N 0 3 387.227 2.162 20 5 GEBDHN CS(=O)(=O)c1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000819264572 653747344 /nfs/dbraw/zinc/74/73/44/653747344.db2.gz XGSOJSKICQWDGY-OAHLLOKOSA-N 0 3 384.841 2.475 20 5 GEBDHN CS[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000790903748 653800419 /nfs/dbraw/zinc/80/04/19/653800419.db2.gz AFLQLBTXGYWVSD-UONOGXRCSA-N 0 3 375.853 2.434 20 5 GEBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC[C@@H]1CC1(Cl)Cl ZINC000823247483 653859776 /nfs/dbraw/zinc/85/97/76/653859776.db2.gz GGENJBDBGOXVHK-LLVKDONJSA-N 0 3 396.296 2.389 20 5 GEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795868519 653973091 /nfs/dbraw/zinc/97/30/91/653973091.db2.gz PMSUWOQZZMWOQT-SNVBAGLBSA-N 0 3 379.841 2.492 20 5 GEBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC[C@@H]21 ZINC000795882894 653974792 /nfs/dbraw/zinc/97/47/92/653974792.db2.gz CCTSZYLNMQYWQR-MFKMUULPSA-N 0 3 391.852 2.492 20 5 GEBDHN CN1CCN(CCCNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000899991743 654046111 /nfs/dbraw/zinc/04/61/11/654046111.db2.gz YJEMSYACENBOGE-UHFFFAOYSA-N 0 3 393.246 2.408 20 5 GEBDHN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)CCN1C ZINC000928437258 654647088 /nfs/dbraw/zinc/64/70/88/654647088.db2.gz BTGCZAKJVNVIFM-UFBFGSQYSA-N 0 3 389.193 2.022 20 5 GEBDHN CCOc1nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164865719 721118037 /nfs/dbraw/zinc/11/80/37/721118037.db2.gz OVKCYHINYKQQRU-IAGOWNOFSA-N 0 3 399.451 2.263 20 5 GEBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000163351568 531857487 /nfs/dbraw/zinc/85/74/87/531857487.db2.gz MPRKSEHIDJKIPF-LLVKDONJSA-N 0 3 381.376 2.328 20 5 GEBDHN CN(C)CCn1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000120323203 531982225 /nfs/dbraw/zinc/98/22/25/531982225.db2.gz NPXRMIVJHJHKEU-UHFFFAOYSA-N 0 3 382.218 2.368 20 5 GEBDHN COCCCN(C)CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000125239445 532133955 /nfs/dbraw/zinc/13/39/55/532133955.db2.gz SSTBUFZTIGXARE-UHFFFAOYSA-N 0 3 388.262 2.364 20 5 GEBDHN COCC[C@H](COC)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000516860087 532394529 /nfs/dbraw/zinc/39/45/29/532394529.db2.gz ZRWCQQQJCIECDF-GFCCVEGCSA-N 0 3 394.209 2.341 20 5 GEBDHN Cc1c(Br)cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000378256822 532686315 /nfs/dbraw/zinc/68/63/15/532686315.db2.gz ZOMZTBDCUVFYQH-OLZOCXBDSA-N 0 3 398.257 2.259 20 5 GEBDHN C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000440339640 532710042 /nfs/dbraw/zinc/71/00/42/532710042.db2.gz KPWQFWBLPJMLIU-NXEZZACHSA-N 0 3 381.376 2.280 20 5 GEBDHN CCC(CC)(C[NH3+])[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440430148 532714413 /nfs/dbraw/zinc/71/44/13/532714413.db2.gz DOZLUFIROOELJK-UHFFFAOYSA-N 0 3 380.264 2.153 20 5 GEBDHN [NH3+]C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCCCC1 ZINC000440522884 532716771 /nfs/dbraw/zinc/71/67/71/532716771.db2.gz GFRZXLAYUFKCRN-UHFFFAOYSA-N 0 3 392.275 2.297 20 5 GEBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610913169 532719924 /nfs/dbraw/zinc/71/99/24/532719924.db2.gz GCCSQNQBSQQULE-ZDUSSCGKSA-N 0 3 398.257 2.340 20 5 GEBDHN O=C(CN1CCCC1)N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301179422 532742791 /nfs/dbraw/zinc/74/27/91/532742791.db2.gz HHDNLRRAYPJXQN-UHFFFAOYSA-N 0 3 397.273 2.102 20 5 GEBDHN COc1cc(CNC[C@@]2(O)CCSC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272401188 532815469 /nfs/dbraw/zinc/81/54/69/532815469.db2.gz JWMIRXLIFREFCD-HNNXBMFYSA-N 0 3 378.397 2.205 20 5 GEBDHN CC1(C)C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420456811 532883711 /nfs/dbraw/zinc/88/37/11/532883711.db2.gz HDIADESIXFVOFA-GFCCVEGCSA-N 0 3 381.376 2.280 20 5 GEBDHN CS(=O)(=O)N1CC[C@H](CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290921222 532892915 /nfs/dbraw/zinc/89/29/15/532892915.db2.gz QOJPFHOYXZDAME-SECBINFHSA-N 0 3 382.269 2.273 20 5 GEBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000371696833 532949406 /nfs/dbraw/zinc/94/94/06/532949406.db2.gz QGJUMGMIXLFSCP-OLZOCXBDSA-N 0 3 385.873 2.320 20 5 GEBDHN C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821625258 599539259 /nfs/dbraw/zinc/53/92/59/599539259.db2.gz JJDYSTJIMSSSHG-SJORKVTESA-N 0 3 394.439 2.386 20 5 GEBDHN C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821625258 599539262 /nfs/dbraw/zinc/53/92/62/599539262.db2.gz JJDYSTJIMSSSHG-SJORKVTESA-N 0 3 394.439 2.386 20 5 GEBDHN C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821625258 599539264 /nfs/dbraw/zinc/53/92/64/599539264.db2.gz JJDYSTJIMSSSHG-SJORKVTESA-N 0 3 394.439 2.386 20 5 GEBDHN C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821625258 599539267 /nfs/dbraw/zinc/53/92/67/599539267.db2.gz JJDYSTJIMSSSHG-SJORKVTESA-N 0 3 394.439 2.386 20 5 GEBDHN C[N@@H+]1CCC[C@H]2CN(c3cc(-c4nnn[n-]4)c4cc([N+](=O)[O-])ccc4n3)CC[C@@H]21 ZINC000821625062 607030568 /nfs/dbraw/zinc/03/05/68/607030568.db2.gz FALKAARTJCOKPK-SJCJKPOMSA-N 0 3 394.439 2.244 20 5 GEBDHN C[N@H+]1CCC[C@H]2CN(c3cc(-c4nnn[n-]4)c4cc([N+](=O)[O-])ccc4n3)CC[C@@H]21 ZINC000821625062 607030569 /nfs/dbraw/zinc/03/05/69/607030569.db2.gz FALKAARTJCOKPK-SJCJKPOMSA-N 0 3 394.439 2.244 20 5 GEBDHN C[N@@H+]1CCC[C@H]2CN(c3cc(-c4nn[n-]n4)c4cc([N+](=O)[O-])ccc4n3)CC[C@@H]21 ZINC000821625062 607030570 /nfs/dbraw/zinc/03/05/70/607030570.db2.gz FALKAARTJCOKPK-SJCJKPOMSA-N 0 3 394.439 2.244 20 5 GEBDHN C[N@H+]1CCC[C@H]2CN(c3cc(-c4nn[n-]n4)c4cc([N+](=O)[O-])ccc4n3)CC[C@@H]21 ZINC000821625062 607030571 /nfs/dbraw/zinc/03/05/71/607030571.db2.gz FALKAARTJCOKPK-SJCJKPOMSA-N 0 3 394.439 2.244 20 5 GEBDHN CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825139300 608552252 /nfs/dbraw/zinc/55/22/52/608552252.db2.gz DNBFVTDLBLQKLE-SJLPKXTDSA-N 0 3 398.423 2.256 20 5 GEBDHN O=C1CC[C@@H](N2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)CCN1 ZINC000450891819 650074540 /nfs/dbraw/zinc/07/45/40/650074540.db2.gz LNMGLAWAVAFCBM-CYBMUJFWSA-N 0 3 397.273 2.148 20 5 GEBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000130532201 643842120 /nfs/dbraw/zinc/84/21/20/643842120.db2.gz LWPPMSAIUMKHDA-SNVBAGLBSA-N 0 3 394.291 2.366 20 5 GEBDHN CCCN(CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000175361288 644389317 /nfs/dbraw/zinc/38/93/17/644389317.db2.gz UDOUZKQRGLWALR-UHFFFAOYSA-N 0 3 394.291 2.368 20 5 GEBDHN CCS(=O)(=O)N1CCC(CNCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000544617448 650946621 /nfs/dbraw/zinc/94/66/21/650946621.db2.gz VVXNIOLWRPFHTF-UHFFFAOYSA-N 0 3 375.878 2.400 20 5 GEBDHN CN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000194700954 645343373 /nfs/dbraw/zinc/34/33/73/645343373.db2.gz OLUAFLONDRJXHH-SNVBAGLBSA-N 0 3 389.193 2.023 20 5 GEBDHN CC(C)N1CCN([C@@H]2CCN(c3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000362201388 647568104 /nfs/dbraw/zinc/56/81/04/647568104.db2.gz WOKAVMOWAYDTKK-CQSZACIVSA-N 0 3 398.305 2.357 20 5 GEBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000363713433 647606730 /nfs/dbraw/zinc/60/67/30/647606730.db2.gz XHRGSQMDHLFGGT-CYBMUJFWSA-N 0 3 398.257 2.340 20 5 GEBDHN CSC1(CNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCN(C)CC1 ZINC000571811694 651855552 /nfs/dbraw/zinc/85/55/52/651855552.db2.gz ZCHOFGLVGDXNJX-UHFFFAOYSA-N 0 3 387.527 2.317 20 5 GEBDHN CSC[C@H](CCO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000574441387 652021914 /nfs/dbraw/zinc/02/19/14/652021914.db2.gz KNOBQJSVVQRUTH-NSHDSACASA-N 0 3 396.250 2.403 20 5 GEBDHN C[C@H]1NCCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)[C@H]1C ZINC000592547112 652599610 /nfs/dbraw/zinc/59/96/10/652599610.db2.gz NXQCEBKEGAGWAN-BDAKNGLRSA-N 0 3 389.193 2.022 20 5 GEBDHN CCCN(CC)CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000765193756 652829999 /nfs/dbraw/zinc/82/99/99/652829999.db2.gz AUSHBLXLFYEUQQ-UHFFFAOYSA-N 0 3 394.291 2.368 20 5 GEBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599674839 652882941 /nfs/dbraw/zinc/88/29/41/652882941.db2.gz JHFZQKMIFOVOPV-GFCCVEGCSA-N 0 3 398.257 2.340 20 5 GEBDHN CS[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000599721714 652885619 /nfs/dbraw/zinc/88/56/19/652885619.db2.gz QEFRMWRCOHZLDM-VXGBXAGGSA-N 0 3 388.287 2.475 20 5 GEBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000601422766 653093815 /nfs/dbraw/zinc/09/38/15/653093815.db2.gz YIBWSWRNSZANTB-JOYOIKCWSA-N 0 3 381.376 2.327 20 5 GEBDHN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102222 653462730 /nfs/dbraw/zinc/46/27/30/653462730.db2.gz PKBLDUPOZWLLBY-ZCFIWIBFSA-N 0 3 394.121 2.330 20 5 GEBDHN COC(=O)c1ccc(CNCCn2cc([N+](=O)[O-])cn2)cc1Br ZINC000877094449 653465783 /nfs/dbraw/zinc/46/57/83/653465783.db2.gz JSLCSZUWKPJCCZ-UHFFFAOYSA-N 0 3 383.202 2.130 20 5 GEBDHN NC(=O)C[C@H](NCc1cccc([N+](=O)[O-])c1Br)C1CCOCC1 ZINC000839553488 653654720 /nfs/dbraw/zinc/65/47/20/653654720.db2.gz XZQZRCIBOAYQLV-LBPRGKRZSA-N 0 3 386.246 2.118 20 5 GEBDHN CC(C)(CCC[NH3+])[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842875318 653771547 /nfs/dbraw/zinc/77/15/47/653771547.db2.gz NDTXTLQHYJHPCH-UHFFFAOYSA-N 0 3 380.264 2.153 20 5 GEBDHN CN1C[C@@H]2CCCN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000823275934 653860686 /nfs/dbraw/zinc/86/06/86/653860686.db2.gz IKPTWLUJPOPUHS-TVQRCGJNSA-N 0 3 383.246 2.106 20 5 GEBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000828958486 654056272 /nfs/dbraw/zinc/05/62/72/654056272.db2.gz FWICJINKIWLMNI-VXGBXAGGSA-N 0 3 383.246 2.248 20 5 GEBDHN O=[N+]([O-])c1cccc(Br)c1CN1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934275294 654842690 /nfs/dbraw/zinc/84/26/90/654842690.db2.gz OIYNRVXTQFNLRT-HOTGVXAUSA-N 0 3 384.274 2.388 20 5 GEBDHN C[C@@](CO)(NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(Br)c1 ZINC000934496516 654850945 /nfs/dbraw/zinc/85/09/45/654850945.db2.gz LJVSDAPGFOOBLF-INIZCTEOSA-N 0 3 396.241 2.016 20 5 GEBDHN CCOc1nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164865720 721119069 /nfs/dbraw/zinc/11/90/69/721119069.db2.gz OVKCYHINYKQQRU-IRXDYDNUSA-N 0 3 399.451 2.263 20 5 GEBDHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982808 722101012 /nfs/dbraw/zinc/10/10/12/722101012.db2.gz PEHAQPRLMBULJF-MJGOQNOKSA-N 0 3 383.452 2.421 20 5 GEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCN(c2ccncc2)CC1 ZINC000044770577 531686556 /nfs/dbraw/zinc/68/65/56/531686556.db2.gz KPIKSWRQWBYJHB-UHFFFAOYSA-N 0 3 382.829 2.154 20 5 GEBDHN CN(C)CCn1nnnc1SCc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000159576963 531786377 /nfs/dbraw/zinc/78/63/77/531786377.db2.gz BWXZEHOUDCZFAH-UHFFFAOYSA-N 0 3 376.364 2.454 20 5 GEBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120612858 531986473 /nfs/dbraw/zinc/98/64/73/531986473.db2.gz YZHQAMYSSHURBB-CYBMUJFWSA-N 0 3 386.246 2.198 20 5 GEBDHN [NH3+]C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000124542082 532123595 /nfs/dbraw/zinc/12/35/95/532123595.db2.gz MMDRAQWJGYIPID-ZANVPECISA-N 0 3 392.275 2.153 20 5 GEBDHN O=C(NCCN1CCCC1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000179554000 532235781 /nfs/dbraw/zinc/23/57/81/532235781.db2.gz ARHLAUKFDPPVTR-UHFFFAOYSA-N 0 3 389.193 2.025 20 5 GEBDHN C[NH+](C)CC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000184083670 532330852 /nfs/dbraw/zinc/33/08/52/532330852.db2.gz QXUUMOCOBZWAFS-UHFFFAOYSA-N 0 3 383.392 2.480 20 5 GEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000184412922 532332569 /nfs/dbraw/zinc/33/25/69/532332569.db2.gz IZXAFVPOKZJKKV-LBPRGKRZSA-N 0 3 399.289 2.113 20 5 GEBDHN CN(CCCN1CCN(C)CC1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000278532962 532384178 /nfs/dbraw/zinc/38/41/78/532384178.db2.gz FJDXRMDWTPKVTH-UHFFFAOYSA-N 0 3 385.306 2.427 20 5 GEBDHN C[C@@](O)(CNCc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000516269184 532385117 /nfs/dbraw/zinc/38/51/17/532385117.db2.gz MNVNMNIZTGOCSW-CYBMUJFWSA-N 0 3 376.194 2.450 20 5 GEBDHN [NH3+]C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CCCC1 ZINC000194770023 532456165 /nfs/dbraw/zinc/45/61/65/532456165.db2.gz FBTPWFVBDQLWKC-LBPRGKRZSA-N 0 3 381.376 2.409 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCc3c2ccc(F)c3Br)c1 ZINC000565946595 532585687 /nfs/dbraw/zinc/58/56/87/532585687.db2.gz YFXUWNNJZFMUGY-IINYFYTJSA-N 0 3 399.220 2.331 20 5 GEBDHN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)c1 ZINC000376644991 532622587 /nfs/dbraw/zinc/62/25/87/532622587.db2.gz SUMSFXNYDGFURK-SNVBAGLBSA-N 0 3 377.825 2.246 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000285486913 532685121 /nfs/dbraw/zinc/68/51/21/532685121.db2.gz IKGRZHLKMQJYKG-SWLSCSKDSA-N 0 3 389.239 2.172 20 5 GEBDHN CN1C[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000487398265 532697410 /nfs/dbraw/zinc/69/74/10/532697410.db2.gz AIJWSMHUEPTQHD-DTORHVGOSA-N 0 3 380.253 2.084 20 5 GEBDHN CN(Cc1ccc(Br)c(F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000494293644 532715599 /nfs/dbraw/zinc/71/55/99/532715599.db2.gz RBMAQTCLWQAEHS-LBPRGKRZSA-N 0 3 387.209 2.186 20 5 GEBDHN COCCNCCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000415648989 532852097 /nfs/dbraw/zinc/85/20/97/532852097.db2.gz CUKXCKNIENNGID-UHFFFAOYSA-N 0 3 375.223 2.023 20 5 GEBDHN CNC(=O)CCCN(C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289322605 532852499 /nfs/dbraw/zinc/85/24/99/532852499.db2.gz GLGAMROHDDTGHR-UHFFFAOYSA-N 0 3 391.209 2.157 20 5 GEBDHN C[C@@H](CC[S@@](C)=O)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289472133 532855820 /nfs/dbraw/zinc/85/58/20/532855820.db2.gz JDCHNFTYFQTOHL-ZRNGKTOUSA-N 0 3 396.250 2.446 20 5 GEBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000290738503 532888082 /nfs/dbraw/zinc/88/80/82/532888082.db2.gz LUNJQMBZWBFBOH-GXFFZTMASA-N 0 3 391.852 2.492 20 5 GEBDHN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821597871 599107745 /nfs/dbraw/zinc/10/77/45/599107745.db2.gz JYRBWHZXJBRFRS-OAHLLOKOSA-N 0 3 394.439 2.128 20 5 GEBDHN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821597871 599107746 /nfs/dbraw/zinc/10/77/46/599107746.db2.gz JYRBWHZXJBRFRS-OAHLLOKOSA-N 0 3 394.439 2.128 20 5 GEBDHN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821597871 599107749 /nfs/dbraw/zinc/10/77/49/599107749.db2.gz JYRBWHZXJBRFRS-OAHLLOKOSA-N 0 3 394.439 2.128 20 5 GEBDHN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821597871 599107751 /nfs/dbraw/zinc/10/77/51/599107751.db2.gz JYRBWHZXJBRFRS-OAHLLOKOSA-N 0 3 394.439 2.128 20 5 GEBDHN CCc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)[NH+](C)C)cc1 ZINC000821482657 599265424 /nfs/dbraw/zinc/26/54/24/599265424.db2.gz UQEPLVUEBIGBNZ-MRXNPFEDSA-N 0 3 382.428 2.447 20 5 GEBDHN CCc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)[NH+](C)C)cc1 ZINC000821482657 599265426 /nfs/dbraw/zinc/26/54/26/599265426.db2.gz UQEPLVUEBIGBNZ-MRXNPFEDSA-N 0 3 382.428 2.447 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(NC3CC[NH+](C4CC4)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000738366957 599266706 /nfs/dbraw/zinc/26/67/06/599266706.db2.gz LGSZJRROUORRRD-UHFFFAOYSA-N 0 3 380.412 2.362 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(NC3CC[NH+](C4CC4)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000738366957 599266710 /nfs/dbraw/zinc/26/67/10/599266710.db2.gz LGSZJRROUORRRD-UHFFFAOYSA-N 0 3 380.412 2.362 20 5 GEBDHN C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736204945 598498610 /nfs/dbraw/zinc/49/86/10/598498610.db2.gz UNNSPAKOIATMQY-TZMCWYRMSA-N 0 3 380.412 2.417 20 5 GEBDHN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736204945 598498612 /nfs/dbraw/zinc/49/86/12/598498612.db2.gz UNNSPAKOIATMQY-TZMCWYRMSA-N 0 3 380.412 2.417 20 5 GEBDHN C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736204945 598498614 /nfs/dbraw/zinc/49/86/14/598498614.db2.gz UNNSPAKOIATMQY-TZMCWYRMSA-N 0 3 380.412 2.417 20 5 GEBDHN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736204945 598498617 /nfs/dbraw/zinc/49/86/17/598498617.db2.gz UNNSPAKOIATMQY-TZMCWYRMSA-N 0 3 380.412 2.417 20 5 GEBDHN COc1cccc([C@@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000821864123 606644913 /nfs/dbraw/zinc/64/49/13/606644913.db2.gz UDKMJSUQJFXBSY-QGZVFWFLSA-N 0 3 383.412 2.498 20 5 GEBDHN COc1cccc([C@@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000821864123 606644914 /nfs/dbraw/zinc/64/49/14/606644914.db2.gz UDKMJSUQJFXBSY-QGZVFWFLSA-N 0 3 383.412 2.498 20 5 GEBDHN C[C@H](NCCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824584639 608563756 /nfs/dbraw/zinc/56/37/56/608563756.db2.gz CYGWBXCAZLUWFQ-LBPRGKRZSA-N 0 3 381.396 2.454 20 5 GEBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCN1CCCO ZINC000452784790 650197293 /nfs/dbraw/zinc/19/72/93/650197293.db2.gz PURBFSPNJNZWPN-CYBMUJFWSA-N 0 3 387.889 2.303 20 5 GEBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000158148493 644141320 /nfs/dbraw/zinc/14/13/20/644141320.db2.gz GRGTWUWLHNAZIC-SNVBAGLBSA-N 0 3 394.291 2.366 20 5 GEBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000180570590 644508057 /nfs/dbraw/zinc/50/80/57/644508057.db2.gz ZRZIAQVMALPGEE-UHFFFAOYSA-N 0 3 399.289 2.067 20 5 GEBDHN C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC[NH2+]C1 ZINC000440844227 648816383 /nfs/dbraw/zinc/81/63/83/648816383.db2.gz MYRLMDHPYFMMCV-ZDUSSCGKSA-N 0 3 381.376 2.282 20 5 GEBDHN CSC1(CNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CCN(C)CC1 ZINC000582755461 652461706 /nfs/dbraw/zinc/46/17/06/652461706.db2.gz WAHYGIVDLUZLGD-UHFFFAOYSA-N 0 3 387.527 2.317 20 5 GEBDHN C[C@@H]1NCCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)[C@H]1C ZINC000592547123 652599655 /nfs/dbraw/zinc/59/96/55/652599655.db2.gz NXQCEBKEGAGWAN-IUCAKERBSA-N 0 3 389.193 2.022 20 5 GEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@](C)(CO)c1ccc(Br)cc1 ZINC000602834267 653208839 /nfs/dbraw/zinc/20/88/39/653208839.db2.gz XULBJJFTBVHSCL-HNNXBMFYSA-N 0 3 383.246 2.360 20 5 GEBDHN CC(COC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)[N+](=O)[O-] ZINC000813108285 653462884 /nfs/dbraw/zinc/46/28/84/653462884.db2.gz XFRNTGUDCWEJTG-LLVKDONJSA-N 0 3 384.435 2.049 20 5 GEBDHN CC(COC(=O)CCC(=O)c1ccc(I)cc1)[N+](=O)[O-] ZINC000813114204 653463684 /nfs/dbraw/zinc/46/36/84/653463684.db2.gz NJSHLLHLVOCROH-VIFPVBQESA-N 0 3 391.161 2.463 20 5 GEBDHN C[C@H]1CCC[N@H+](CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000814989620 653642046 /nfs/dbraw/zinc/64/20/46/653642046.db2.gz QZDPCJOIJHDAPV-JTQLQIEISA-N 0 3 379.841 2.398 20 5 GEBDHN C[C@H]1CCC[N@@H+](CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000814989620 653642051 /nfs/dbraw/zinc/64/20/51/653642051.db2.gz QZDPCJOIJHDAPV-JTQLQIEISA-N 0 3 379.841 2.398 20 5 GEBDHN CN(C)C1(CN(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCC1 ZINC000815035077 653646475 /nfs/dbraw/zinc/64/64/75/653646475.db2.gz HVKKZIXYMHGWNL-UHFFFAOYSA-N 0 3 379.841 2.492 20 5 GEBDHN O=C(NC1CCN(Cc2cccc(Br)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839943081 653670450 /nfs/dbraw/zinc/67/04/50/653670450.db2.gz NTNNNRUXWCCPKR-HUUCEWRRSA-N 0 3 382.258 2.195 20 5 GEBDHN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CN(C)C ZINC000841529799 653727973 /nfs/dbraw/zinc/72/79/73/653727973.db2.gz OLAQBHAGNTVRKA-UHFFFAOYSA-N 0 3 394.291 2.284 20 5 GEBDHN COC(=O)CN1CCC(NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000895611723 653843373 /nfs/dbraw/zinc/84/33/73/653843373.db2.gz YHQGZFPFOXVVLO-UHFFFAOYSA-N 0 3 386.246 2.084 20 5 GEBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC[C@H]21 ZINC000795882896 653974772 /nfs/dbraw/zinc/97/47/72/653974772.db2.gz CCTSZYLNMQYWQR-ZWNOBZJWSA-N 0 3 391.852 2.492 20 5 GEBDHN CN(C)CCN(CC(=O)N(C)C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000827158994 653977959 /nfs/dbraw/zinc/97/79/59/653977959.db2.gz WQJIYXPRECYYLG-UHFFFAOYSA-N 0 3 377.272 2.353 20 5 GEBDHN O=C(NC[C@H]1CCN1C1CCOCC1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000906441609 654437679 /nfs/dbraw/zinc/43/76/79/654437679.db2.gz NNMVMNUHPDXRRX-CYBMUJFWSA-N 0 3 398.257 2.340 20 5 GEBDHN O=[N+]([O-])c1ccc2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2c1 ZINC001164738876 720671988 /nfs/dbraw/zinc/67/19/88/720671988.db2.gz LESSYGGQGCKQQB-IRXDYDNUSA-N 0 3 392.419 2.275 20 5 GEBDHN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCN(c2ccncc2)CC1 ZINC000119515347 531971995 /nfs/dbraw/zinc/97/19/95/531971995.db2.gz YUFUKGZXTHTDFU-UHFFFAOYSA-N 0 3 382.829 2.154 20 5 GEBDHN CCN1CCN(CCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000176981595 532158112 /nfs/dbraw/zinc/15/81/12/532158112.db2.gz QCEGSJVHAAWISG-UHFFFAOYSA-N 0 3 399.289 2.115 20 5 GEBDHN CN(C)CCn1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000129440746 532178734 /nfs/dbraw/zinc/17/87/34/532178734.db2.gz SJEQFWNFRVVYIP-UHFFFAOYSA-N 0 3 396.245 2.297 20 5 GEBDHN COc1cc(Br)ccc1[C@@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000190447299 532356092 /nfs/dbraw/zinc/35/60/92/532356092.db2.gz XHPXDAFXFYDBPT-ZWNOBZJWSA-N 0 3 399.245 2.274 20 5 GEBDHN CSCC[C@H](CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000517204715 532408567 /nfs/dbraw/zinc/40/85/67/532408567.db2.gz GXXCAMIQZYLQEY-LLVKDONJSA-N 0 3 396.250 2.403 20 5 GEBDHN CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]CC1 ZINC000193376868 532422100 /nfs/dbraw/zinc/42/21/00/532422100.db2.gz BMKSUDGVXHOPSS-UHFFFAOYSA-N 0 3 381.376 2.282 20 5 GEBDHN CC(C)[NH2+]CCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592368055 532451562 /nfs/dbraw/zinc/45/15/62/532451562.db2.gz BXORYGDWDKJHMC-UHFFFAOYSA-N 0 3 380.264 2.024 20 5 GEBDHN Cc1c(Br)c(NCCCN2CCCO[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000432879116 532546516 /nfs/dbraw/zinc/54/65/16/532546516.db2.gz SGOIGZUQNUZSIR-LLVKDONJSA-N 0 3 387.278 2.974 20 5 GEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000375746016 532581064 /nfs/dbraw/zinc/58/10/64/532581064.db2.gz SNEFENKRMAHXBQ-ZDUSSCGKSA-N 0 3 381.479 2.457 20 5 GEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000376523902 532616278 /nfs/dbraw/zinc/61/62/78/532616278.db2.gz YCGHJSQIUSNYEK-GWCFXTLKSA-N 0 3 383.246 2.451 20 5 GEBDHN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCCN2CCC[C@@H]2C1 ZINC000376598779 532620446 /nfs/dbraw/zinc/62/04/46/532620446.db2.gz FRRQMNOVLVGNAN-LLVKDONJSA-N 0 3 375.397 2.266 20 5 GEBDHN CCCN(CC)CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000474181393 532609344 /nfs/dbraw/zinc/60/93/44/532609344.db2.gz GVDZRNYFXWVLCI-UHFFFAOYSA-N 0 3 394.291 2.368 20 5 GEBDHN CN(C)CCn1nccc1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000297873538 532609479 /nfs/dbraw/zinc/60/94/79/532609479.db2.gz UPVQNILOIIXNJH-UHFFFAOYSA-N 0 3 382.218 2.368 20 5 GEBDHN [NH3+]C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCC1 ZINC000567862475 532666886 /nfs/dbraw/zinc/66/68/86/532666886.db2.gz DWQDFKHWDGAJBN-LLVKDONJSA-N 0 3 381.376 2.409 20 5 GEBDHN CN(C)CCn1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000601561808 532686013 /nfs/dbraw/zinc/68/60/13/532686013.db2.gz BYBYABNCTZLTLL-UHFFFAOYSA-N 0 3 382.218 2.368 20 5 GEBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1F ZINC000285539181 532689555 /nfs/dbraw/zinc/68/95/55/532689555.db2.gz FWSYUXNWWBTJKB-BXKDBHETSA-N 0 3 387.209 2.405 20 5 GEBDHN C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000440345494 532710115 /nfs/dbraw/zinc/71/01/15/532710115.db2.gz YXMGVAQLCLIQQN-VHSXEESVSA-N 0 3 392.275 2.024 20 5 GEBDHN C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000440345714 532710421 /nfs/dbraw/zinc/71/04/21/532710421.db2.gz SLGQEECTDVDQKF-VHSXEESVSA-N 0 3 392.275 2.024 20 5 GEBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)s1 ZINC000443343540 532745414 /nfs/dbraw/zinc/74/54/14/532745414.db2.gz PKZZZZUEJMDDBX-SCZZXKLOSA-N 0 3 375.248 2.327 20 5 GEBDHN COCC[C@@](C)(O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289470264 532855508 /nfs/dbraw/zinc/85/55/08/532855508.db2.gz JAUCIMPJXQBRRE-CYBMUJFWSA-N 0 3 394.209 2.077 20 5 GEBDHN C[S@](=O)C1(CNCc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000289807379 532865656 /nfs/dbraw/zinc/86/56/56/532865656.db2.gz LJXBIKSKBMXQES-IBGZPJMESA-N 0 3 394.234 2.200 20 5 GEBDHN CN(C)C(=O)CCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289850960 532866740 /nfs/dbraw/zinc/86/67/40/532866740.db2.gz KSFKCCMEYMFCOD-UHFFFAOYSA-N 0 3 391.209 2.157 20 5 GEBDHN Cc1nccn1CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000290061439 532871744 /nfs/dbraw/zinc/87/17/44/532871744.db2.gz XVAGEGJDOHFNAT-UHFFFAOYSA-N 0 3 386.193 2.494 20 5 GEBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000290738513 532888042 /nfs/dbraw/zinc/88/80/42/532888042.db2.gz LUNJQMBZWBFBOH-ZWNOBZJWSA-N 0 3 391.852 2.492 20 5 GEBDHN CCN1CCN(CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291409294 532901411 /nfs/dbraw/zinc/90/14/11/532901411.db2.gz AIGLQFSBPKPQLL-UHFFFAOYSA-N 0 3 375.256 2.269 20 5 GEBDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C2)C1 ZINC000291999212 532911815 /nfs/dbraw/zinc/91/18/15/532911815.db2.gz LFALQLXVLUZYOY-CQSZACIVSA-N 0 3 377.825 2.104 20 5 GEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000368550069 532933326 /nfs/dbraw/zinc/93/33/26/532933326.db2.gz FSTHTXSWEXRTMS-MNOVXSKESA-N 0 3 383.246 2.451 20 5 GEBDHN Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)[NH+]2CCCC2)o1 ZINC000737320575 598247131 /nfs/dbraw/zinc/24/71/31/598247131.db2.gz RHQZXRQMSVGYOW-AWEZNQCLSA-N 0 3 384.400 2.320 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645539 599483394 /nfs/dbraw/zinc/48/33/94/599483394.db2.gz TUJJSJWUSOFKCK-NEPJUHHUSA-N 0 3 380.412 2.362 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645539 599483396 /nfs/dbraw/zinc/48/33/96/599483396.db2.gz TUJJSJWUSOFKCK-NEPJUHHUSA-N 0 3 380.412 2.362 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645539 599483399 /nfs/dbraw/zinc/48/33/99/599483399.db2.gz TUJJSJWUSOFKCK-NEPJUHHUSA-N 0 3 380.412 2.362 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645539 599483403 /nfs/dbraw/zinc/48/34/03/599483403.db2.gz TUJJSJWUSOFKCK-NEPJUHHUSA-N 0 3 380.412 2.362 20 5 GEBDHN C[NH+](C)CCN(Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821586491 607114871 /nfs/dbraw/zinc/11/48/71/607114871.db2.gz ZYYMQAYHWIVQKV-UHFFFAOYSA-N 0 3 385.403 2.482 20 5 GEBDHN C[NH+](C)CCN(Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821586491 607114872 /nfs/dbraw/zinc/11/48/72/607114872.db2.gz ZYYMQAYHWIVQKV-UHFFFAOYSA-N 0 3 385.403 2.482 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]([NH+]4CCCC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499829 608370303 /nfs/dbraw/zinc/37/03/03/608370303.db2.gz ZKDKIQSBQZWGMV-CQSZACIVSA-N 0 3 394.439 2.388 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]([NH+]4CCCC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499829 608370305 /nfs/dbraw/zinc/37/03/05/608370305.db2.gz ZKDKIQSBQZWGMV-CQSZACIVSA-N 0 3 394.439 2.388 20 5 GEBDHN CC[NH+](CC)[C@H](C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000480631025 650626049 /nfs/dbraw/zinc/62/60/49/650626049.db2.gz MWSVRLYTTLHYHS-SNVBAGLBSA-N 0 3 394.291 2.366 20 5 GEBDHN O=C(NCCN1CCCC1)c1cc([N+](=O)[O-])ccc1I ZINC000040435806 642522960 /nfs/dbraw/zinc/52/29/60/642522960.db2.gz NPGHYADVTXPONL-UHFFFAOYSA-N 0 3 389.193 2.025 20 5 GEBDHN CC[C@H](C)[N@H+](C)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000109065084 643288845 /nfs/dbraw/zinc/28/88/45/643288845.db2.gz ZFACPPXFWHQRBW-JTQLQIEISA-N 0 3 394.291 2.366 20 5 GEBDHN CC[C@H](C)[N@@H+](C)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000109065084 643288849 /nfs/dbraw/zinc/28/88/49/643288849.db2.gz ZFACPPXFWHQRBW-JTQLQIEISA-N 0 3 394.291 2.366 20 5 GEBDHN CCN1CCN([C@H](C)CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000162100937 644232560 /nfs/dbraw/zinc/23/25/60/644232560.db2.gz YPGDUJIZQOHVRV-GFCCVEGCSA-N 0 3 399.289 2.113 20 5 GEBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000162100803 644232655 /nfs/dbraw/zinc/23/26/55/644232655.db2.gz YPGDUJIZQOHVRV-LBPRGKRZSA-N 0 3 399.289 2.113 20 5 GEBDHN CCN1CCN([C@H](C)CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000177283700 644412933 /nfs/dbraw/zinc/41/29/33/644412933.db2.gz KBUUIYCUGXVLHB-GFCCVEGCSA-N 0 3 399.289 2.113 20 5 GEBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000193861412 645304124 /nfs/dbraw/zinc/30/41/24/645304124.db2.gz VNYAZHTXMPLKQL-SNVBAGLBSA-N 0 3 394.291 2.366 20 5 GEBDHN CCN1CCN(CCNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000284220632 646836219 /nfs/dbraw/zinc/83/62/19/646836219.db2.gz DGQZSWCFZFACSX-UHFFFAOYSA-N 0 3 399.289 2.033 20 5 GEBDHN CS[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000330528116 647341945 /nfs/dbraw/zinc/34/19/45/647341945.db2.gz FCUGNVMHMLUCJM-OLZOCXBDSA-N 0 3 388.287 2.475 20 5 GEBDHN C[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000362660080 647571432 /nfs/dbraw/zinc/57/14/32/647571432.db2.gz UUHKFVYEHSVOQH-TZMCWYRMSA-N 0 3 398.305 2.215 20 5 GEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(n2cc(Br)cn2)CC1 ZINC000362720276 647572758 /nfs/dbraw/zinc/57/27/58/647572758.db2.gz UOICLSDBFZGJJN-UHFFFAOYSA-N 0 3 396.245 2.053 20 5 GEBDHN CC1(C)[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1O ZINC000558490820 651280769 /nfs/dbraw/zinc/28/07/69/651280769.db2.gz IJMNCFJSFKJPNP-NEPJUHHUSA-N 0 3 376.194 2.448 20 5 GEBDHN CN(C)CCn1nccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000563287243 651522538 /nfs/dbraw/zinc/52/25/38/651522538.db2.gz TVSONDURINDUGR-UHFFFAOYSA-N 0 3 382.218 2.368 20 5 GEBDHN COC(=O)C1(CNCc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000568820336 651681962 /nfs/dbraw/zinc/68/19/62/651681962.db2.gz JRKKUXKVDJRFOX-UHFFFAOYSA-N 0 3 390.177 2.242 20 5 GEBDHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000569892316 651731836 /nfs/dbraw/zinc/73/18/36/651731836.db2.gz YUFCONQBLMKVNE-SNVBAGLBSA-N 0 3 394.291 2.364 20 5 GEBDHN [NH3+]C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000580073385 652365988 /nfs/dbraw/zinc/36/59/88/652365988.db2.gz IVMQAWQDYUUCRZ-KOLCDFICSA-N 0 3 381.376 2.409 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@H]2CCC[NH2+]2)c(Br)c1 ZINC000581488811 652415297 /nfs/dbraw/zinc/41/52/97/652415297.db2.gz ZMBVWDJXJDDKOM-SNVBAGLBSA-N 0 3 392.275 2.168 20 5 GEBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H](O)C1CC1 ZINC000589255294 652563644 /nfs/dbraw/zinc/56/36/44/652563644.db2.gz MOOAVYHCTPAHNJ-CYBMUJFWSA-N 0 3 376.194 2.402 20 5 GEBDHN CO[C@@]1(CNCc2cc(I)cc([N+](=O)[O-])c2)CCOC1 ZINC000589317812 652565596 /nfs/dbraw/zinc/56/55/96/652565596.db2.gz KLHSCMVWOVFEOL-CYBMUJFWSA-N 0 3 392.193 2.095 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C23CCC3)c(C(F)(F)F)c1 ZINC000599098779 652849275 /nfs/dbraw/zinc/84/92/75/652849275.db2.gz ATTKZPVFVXUCTH-GFCCVEGCSA-N 0 3 379.360 2.177 20 5 GEBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000601421275 653093730 /nfs/dbraw/zinc/09/37/30/653093730.db2.gz DLLUGBNDPVZJGV-NOZJJQNGSA-N 0 3 392.275 2.070 20 5 GEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(n2cc(Br)cn2)CC1 ZINC000602780550 653206195 /nfs/dbraw/zinc/20/61/95/653206195.db2.gz AITHMTBMCYVERW-UHFFFAOYSA-N 0 3 383.250 2.396 20 5 GEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815018986 653644145 /nfs/dbraw/zinc/64/41/45/653644145.db2.gz FPIJREAPXPHBOG-SNVBAGLBSA-N 0 3 379.841 2.492 20 5 GEBDHN CN1CC[C@H]2CN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866205488 653788897 /nfs/dbraw/zinc/78/88/97/653788897.db2.gz MRKMLRUVDGDQLS-CMPLNLGQSA-N 0 3 375.397 2.122 20 5 GEBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000790879602 653799824 /nfs/dbraw/zinc/79/98/24/653799824.db2.gz ICKQFMDYPIJSDC-JTQLQIEISA-N 0 3 394.291 2.366 20 5 GEBDHN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCC2CC[NH2+]CC2)c1 ZINC000846234264 653892401 /nfs/dbraw/zinc/89/24/01/653892401.db2.gz LTJDCHZWQYIUEU-UHFFFAOYSA-N 0 3 392.275 2.025 20 5 GEBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000867307954 653912607 /nfs/dbraw/zinc/91/26/07/653912607.db2.gz FFGSOTATFKYYJT-BXKDBHETSA-N 0 3 392.275 2.070 20 5 GEBDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795837512 653969475 /nfs/dbraw/zinc/96/94/75/653969475.db2.gz IZBZVQUOFNTIFE-SNVBAGLBSA-N 0 3 379.841 2.350 20 5 GEBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC[C@@H]21 ZINC000867809894 653991027 /nfs/dbraw/zinc/99/10/27/653991027.db2.gz VDXQMGUAQLTBCM-SKDRFNHKSA-N 0 3 377.825 2.102 20 5 GEBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC[C@H]21 ZINC000867809891 653991138 /nfs/dbraw/zinc/99/11/38/653991138.db2.gz VDXQMGUAQLTBCM-BXKDBHETSA-N 0 3 377.825 2.102 20 5 GEBDHN CN(C)CCn1nnnc1SCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000800834141 654159976 /nfs/dbraw/zinc/15/99/76/654159976.db2.gz WKZLRIXPDHAHSP-UHFFFAOYSA-N 0 3 387.263 2.198 20 5 GEBDHN Cc1cc(NCCS(=O)(=O)CC(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000853815646 654322670 /nfs/dbraw/zinc/32/26/70/654322670.db2.gz DNCXIRIOJUXJRL-UHFFFAOYSA-N 0 3 377.344 2.262 20 5 GEBDHN NC(=O)[C@H]1CCCN1C1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856738106 654488897 /nfs/dbraw/zinc/48/88/97/654488897.db2.gz SFAKNXRBEIEWDB-CQSZACIVSA-N 0 3 397.273 2.276 20 5 GEBDHN O=C1CC[C@@H](N2CCN(c3cccc(Br)c3[N+](=O)[O-])CC2)CCN1 ZINC000856764027 654493523 /nfs/dbraw/zinc/49/35/23/654493523.db2.gz NDAZPHLBMOPOGF-GFCCVEGCSA-N 0 3 397.273 2.148 20 5 GEBDHN O=[N+]([O-])c1cccc(Br)c1CN1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934275299 654842640 /nfs/dbraw/zinc/84/26/40/654842640.db2.gz OIYNRVXTQFNLRT-HZPDHXFCSA-N 0 3 384.274 2.388 20 5 GEBDHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5ccc([N+](=O)[O-])cc54)C[C@@H]3C2)cn1 ZINC001164766393 721115147 /nfs/dbraw/zinc/11/51/47/721115147.db2.gz KYWGFNSBEMYPIR-HOTGVXAUSA-N 0 3 393.451 2.230 20 5 GEBDHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5ccc([N+](=O)[O-])cc54)C[C@@H]3C2)cn1 ZINC001164766392 721116621 /nfs/dbraw/zinc/11/66/21/721116621.db2.gz KYWGFNSBEMYPIR-CVEARBPZSA-N 0 3 393.451 2.230 20 5 GEBDHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5cc([N+](=O)[O-])ccc54)C[C@H]3C2)cn1 ZINC001164773743 721119100 /nfs/dbraw/zinc/11/91/00/721119100.db2.gz YVLOBFFTCLBYMS-HZPDHXFCSA-N 0 3 393.451 2.230 20 5 GEBDHN COc1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164909310 721527511 /nfs/dbraw/zinc/52/75/11/721527511.db2.gz RHIKPOAVSLEBJU-GOEBONIOSA-N 0 3 388.399 2.479 20 5 GEBDHN CN1CCC(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000120973926 532005812 /nfs/dbraw/zinc/00/58/12/532005812.db2.gz GVZHLEOMARKFTR-UHFFFAOYSA-N 0 3 389.193 2.023 20 5 GEBDHN COc1cc(Br)ccc1[C@@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000190447265 532356150 /nfs/dbraw/zinc/35/61/50/532356150.db2.gz XHPXDAFXFYDBPT-MFKMUULPSA-N 0 3 399.245 2.274 20 5 GEBDHN [NH3+]C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000237934424 532513659 /nfs/dbraw/zinc/51/36/59/532513659.db2.gz MGWPSNGGBZBUQL-JOYOIKCWSA-N 0 3 381.376 2.409 20 5 GEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000376523904 532616189 /nfs/dbraw/zinc/61/61/89/532616189.db2.gz YCGHJSQIUSNYEK-MFKMUULPSA-N 0 3 383.246 2.451 20 5 GEBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000262906991 532606531 /nfs/dbraw/zinc/60/65/31/532606531.db2.gz YFGNSAOHTCXOPY-DTWKUNHWSA-N 0 3 389.193 2.022 20 5 GEBDHN CCN1CCN([C@H](C)CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599472147 532661784 /nfs/dbraw/zinc/66/17/84/532661784.db2.gz AIORJJPHRXWTPF-GFCCVEGCSA-N 0 3 399.289 2.113 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(Br)cc2Cl)c1 ZINC000567464577 532654275 /nfs/dbraw/zinc/65/42/75/532654275.db2.gz YGBAYLWDTARJSF-LBPRGKRZSA-N 0 3 389.637 2.358 20 5 GEBDHN CC(C)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000438667777 532674886 /nfs/dbraw/zinc/67/48/86/532674886.db2.gz LTHFIQHRKUTAKJ-CQSZACIVSA-N 0 3 383.246 2.440 20 5 GEBDHN C[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000440358315 532711672 /nfs/dbraw/zinc/71/16/72/532711672.db2.gz NGNGJTVMKZRMMV-VHSXEESVSA-N 0 3 392.275 2.024 20 5 GEBDHN CC(C)C[C@@](C)(C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440427926 532714401 /nfs/dbraw/zinc/71/44/01/532714401.db2.gz OVFWPOCDCJAYNJ-ZDUSSCGKSA-N 0 3 394.291 2.399 20 5 GEBDHN CN(C[C@@H]1CCN(C)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462291422 532802438 /nfs/dbraw/zinc/80/24/38/532802438.db2.gz QYOYVWYWGLHWQO-SECBINFHSA-N 0 3 382.269 2.474 20 5 GEBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738374950 598945155 /nfs/dbraw/zinc/94/51/55/598945155.db2.gz UVBNQJZKTSOFQA-AWEZNQCLSA-N 0 3 380.412 2.246 20 5 GEBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738374950 598945156 /nfs/dbraw/zinc/94/51/56/598945156.db2.gz UVBNQJZKTSOFQA-AWEZNQCLSA-N 0 3 380.412 2.246 20 5 GEBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738374950 598945157 /nfs/dbraw/zinc/94/51/57/598945157.db2.gz UVBNQJZKTSOFQA-AWEZNQCLSA-N 0 3 380.412 2.246 20 5 GEBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738374950 598945158 /nfs/dbraw/zinc/94/51/58/598945158.db2.gz UVBNQJZKTSOFQA-AWEZNQCLSA-N 0 3 380.412 2.246 20 5 GEBDHN C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1Cc1ccccc1 ZINC000820727075 599109563 /nfs/dbraw/zinc/10/95/63/599109563.db2.gz GJYWXAWRZSJJNO-CQSZACIVSA-N 0 3 394.439 2.271 20 5 GEBDHN C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000820727075 599109564 /nfs/dbraw/zinc/10/95/64/599109564.db2.gz GJYWXAWRZSJJNO-CQSZACIVSA-N 0 3 394.439 2.271 20 5 GEBDHN C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820727075 599109565 /nfs/dbraw/zinc/10/95/65/599109565.db2.gz GJYWXAWRZSJJNO-CQSZACIVSA-N 0 3 394.439 2.271 20 5 GEBDHN C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC000820727075 599109566 /nfs/dbraw/zinc/10/95/66/599109566.db2.gz GJYWXAWRZSJJNO-CQSZACIVSA-N 0 3 394.439 2.271 20 5 GEBDHN O=[N+]([O-])c1cnc(NCc2ccc(C[NH+]3CCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000823651077 599317552 /nfs/dbraw/zinc/31/75/52/599317552.db2.gz DQMYWIKSBJHRFW-UHFFFAOYSA-N 0 3 380.412 2.378 20 5 GEBDHN O=[N+]([O-])c1cnc(NCc2ccc(C[NH+]3CCCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000823651077 599317554 /nfs/dbraw/zinc/31/75/54/599317554.db2.gz DQMYWIKSBJHRFW-UHFFFAOYSA-N 0 3 380.412 2.378 20 5 GEBDHN C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821625256 599539452 /nfs/dbraw/zinc/53/94/52/599539452.db2.gz JJDYSTJIMSSSHG-IAGOWNOFSA-N 0 3 394.439 2.386 20 5 GEBDHN C[N@H+]1CCC[C@@H]1[C@H]1CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821625256 599539454 /nfs/dbraw/zinc/53/94/54/599539454.db2.gz JJDYSTJIMSSSHG-IAGOWNOFSA-N 0 3 394.439 2.386 20 5 GEBDHN C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821625256 599539456 /nfs/dbraw/zinc/53/94/56/599539456.db2.gz JJDYSTJIMSSSHG-IAGOWNOFSA-N 0 3 394.439 2.386 20 5 GEBDHN C[N@H+]1CCC[C@@H]1[C@H]1CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821625256 599539458 /nfs/dbraw/zinc/53/94/58/599539458.db2.gz JJDYSTJIMSSSHG-IAGOWNOFSA-N 0 3 394.439 2.386 20 5 GEBDHN CC[N@H+](CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000444169165 649938859 /nfs/dbraw/zinc/93/88/59/649938859.db2.gz OYTNOMQRQDGDSS-UHFFFAOYSA-N 0 3 394.291 2.366 20 5 GEBDHN CC[N@@H+](CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000444169165 649938863 /nfs/dbraw/zinc/93/88/63/649938863.db2.gz OYTNOMQRQDGDSS-UHFFFAOYSA-N 0 3 394.291 2.366 20 5 GEBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821619242 606789205 /nfs/dbraw/zinc/78/92/05/606789205.db2.gz OWPKMESJPJANDB-INIZCTEOSA-N 0 3 379.424 2.486 20 5 GEBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821619242 606789206 /nfs/dbraw/zinc/78/92/06/606789206.db2.gz OWPKMESJPJANDB-INIZCTEOSA-N 0 3 379.424 2.486 20 5 GEBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821619242 606789207 /nfs/dbraw/zinc/78/92/07/606789207.db2.gz OWPKMESJPJANDB-INIZCTEOSA-N 0 3 379.424 2.486 20 5 GEBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821619242 606789209 /nfs/dbraw/zinc/78/92/09/606789209.db2.gz OWPKMESJPJANDB-INIZCTEOSA-N 0 3 379.424 2.486 20 5 GEBDHN C[C@@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000820414367 607047715 /nfs/dbraw/zinc/04/77/15/607047715.db2.gz YDPZNLJMUMDBQM-CYBMUJFWSA-N 0 3 394.439 2.490 20 5 GEBDHN C[C@@H]([NH2+]C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000820414367 607047717 /nfs/dbraw/zinc/04/77/17/607047717.db2.gz YDPZNLJMUMDBQM-CYBMUJFWSA-N 0 3 394.439 2.490 20 5 GEBDHN C[NH+](C)CCN(Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821586376 607114924 /nfs/dbraw/zinc/11/49/24/607114924.db2.gz VJZSUVBEPMSZLB-UHFFFAOYSA-N 0 3 385.403 2.482 20 5 GEBDHN C[NH+](C)CCN(Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821586376 607114925 /nfs/dbraw/zinc/11/49/25/607114925.db2.gz VJZSUVBEPMSZLB-UHFFFAOYSA-N 0 3 385.403 2.482 20 5 GEBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000158150660 644141098 /nfs/dbraw/zinc/14/10/98/644141098.db2.gz AUCYYUDNHRXHGA-NSHDSACASA-N 0 3 392.275 2.072 20 5 GEBDHN [NH3+]C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCCC1 ZINC000194773265 645347838 /nfs/dbraw/zinc/34/78/38/645347838.db2.gz JAYBUCXNMZVRJJ-LLVKDONJSA-N 0 3 392.275 2.153 20 5 GEBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)[C@H](C)CN1 ZINC000237483068 645433131 /nfs/dbraw/zinc/43/31/31/645433131.db2.gz UOUNZFUWCNQKIV-RKDXNWHRSA-N 0 3 389.193 2.022 20 5 GEBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000269469164 646037243 /nfs/dbraw/zinc/03/72/43/646037243.db2.gz KDPQZFAOLWMOKG-NSHDSACASA-N 0 3 392.275 2.072 20 5 GEBDHN CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@H]1N(C)C ZINC000277332765 646403756 /nfs/dbraw/zinc/40/37/56/646403756.db2.gz RTMCISPTIMRRJB-VXGBXAGGSA-N 0 3 388.287 2.475 20 5 GEBDHN O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C2CC[NH+](C3CC3)CC2)cc1Cl ZINC000281309739 646760606 /nfs/dbraw/zinc/76/06/06/646760606.db2.gz ZVVZISXUCNHXOZ-UHFFFAOYSA-N 0 3 377.825 2.292 20 5 GEBDHN NC(=O)[C@H]1CCCN1C1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301909278 647276666 /nfs/dbraw/zinc/27/66/66/647276666.db2.gz AWJNSRYRVITEFA-CQSZACIVSA-N 0 3 397.273 2.276 20 5 GEBDHN C[C@@]1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000440848057 648816855 /nfs/dbraw/zinc/81/68/55/648816855.db2.gz UVYXELSNGCTEAX-CYBMUJFWSA-N 0 3 392.275 2.025 20 5 GEBDHN CC[C@@H](N)c1cn(Cc2cc(I)cc([N+](=O)[O-])c2)nn1 ZINC000603238210 651473089 /nfs/dbraw/zinc/47/30/89/651473089.db2.gz UFBBTRAFDGBOHQ-LLVKDONJSA-N 0 3 387.181 2.249 20 5 GEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CC12CC[NH2+]CC2 ZINC000592390460 652593125 /nfs/dbraw/zinc/59/31/25/652593125.db2.gz UXRHGDFUHKXOJK-GFCCVEGCSA-N 0 3 379.360 2.034 20 5 GEBDHN CN(CCNCc1cc(I)cc([N+](=O)[O-])c1)CC(F)F ZINC000599022951 652845318 /nfs/dbraw/zinc/84/53/18/652845318.db2.gz PDPZXSSEERTWJY-UHFFFAOYSA-N 0 3 399.179 2.486 20 5 GEBDHN CS(=O)(=O)N1CCC(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602512924 653187248 /nfs/dbraw/zinc/18/72/48/653187248.db2.gz WVQVVIHZBWIQDH-UHFFFAOYSA-N 0 3 381.376 2.127 20 5 GEBDHN CC(C)N(C)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000809861045 653311412 /nfs/dbraw/zinc/31/14/12/653311412.db2.gz LJXBIWXVJLZPBE-JTQLQIEISA-N 0 3 394.291 2.364 20 5 GEBDHN CC(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)[N+](=O)[O-] ZINC000813106311 653463011 /nfs/dbraw/zinc/46/30/11/653463011.db2.gz ALAOEPKVEXPZIO-NSHDSACASA-N 0 3 390.845 2.337 20 5 GEBDHN CC(COC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)[N+](=O)[O-] ZINC000813111189 653463700 /nfs/dbraw/zinc/46/37/00/653463700.db2.gz QAPVNYTUPKADIV-LLVKDONJSA-N 0 3 384.435 2.049 20 5 GEBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000867308662 653912913 /nfs/dbraw/zinc/91/29/13/653912913.db2.gz MOIUFNFEQIAVBD-BXKDBHETSA-N 0 3 392.275 2.070 20 5 GEBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC[C@@H]21 ZINC000795882890 653974878 /nfs/dbraw/zinc/97/48/78/653974878.db2.gz CCTSZYLNMQYWQR-GWCFXTLKSA-N 0 3 391.852 2.492 20 5 GEBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000867810108 653990981 /nfs/dbraw/zinc/99/09/81/653990981.db2.gz WYMGDUOYHVJVEH-SKDRFNHKSA-N 0 3 377.825 2.102 20 5 GEBDHN CN1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000867810107 653991109 /nfs/dbraw/zinc/99/11/09/653991109.db2.gz WYMGDUOYHVJVEH-JOYOIKCWSA-N 0 3 377.825 2.102 20 5 GEBDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000796483042 653999093 /nfs/dbraw/zinc/99/90/93/653999093.db2.gz PKOVQSMUVORXDP-XHDPSFHLSA-N 0 3 375.878 2.446 20 5 GEBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000828958484 654056279 /nfs/dbraw/zinc/05/62/79/654056279.db2.gz FWICJINKIWLMNI-NWDGAFQWSA-N 0 3 383.246 2.248 20 5 GEBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000869777792 654122625 /nfs/dbraw/zinc/12/26/25/654122625.db2.gz OMBKAJGWUZICIV-JTQLQIEISA-N 0 3 376.240 2.477 20 5 GEBDHN CN1CCC(NC(=S)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000905530677 654364423 /nfs/dbraw/zinc/36/44/23/654364423.db2.gz PAPBFSKWMRTKQU-UHFFFAOYSA-N 0 3 387.303 2.416 20 5 GEBDHN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C1CN(C2CCOCC2)C1 ZINC000908075484 654602644 /nfs/dbraw/zinc/60/26/44/654602644.db2.gz JKZIVAPSIQMZMP-UHFFFAOYSA-N 0 3 384.230 2.407 20 5 GEBDHN CN1CCC(N(CCO)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000911941599 654736938 /nfs/dbraw/zinc/73/69/38/654736938.db2.gz UCCQLVJJWCRULU-UHFFFAOYSA-N 0 3 387.889 2.255 20 5 GEBDHN CS[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C[C@@H]1N(C)C ZINC000935111501 654876490 /nfs/dbraw/zinc/87/64/90/654876490.db2.gz PSPGWXZEACBMRA-VHSXEESVSA-N 0 3 376.841 2.087 20 5 GEBDHN O=[N+]([O-])c1cccc2nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)ccc21 ZINC001164736706 720689005 /nfs/dbraw/zinc/68/90/05/720689005.db2.gz AMZKWIUGPZGYTK-LSDHHAIUSA-N 0 3 392.419 2.275 20 5 GEBDHN Cc1c(C)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164864086 721099256 /nfs/dbraw/zinc/09/92/56/721099256.db2.gz DZLGFSDOCCKTIE-ROUUACIJSA-N 0 3 383.452 2.481 20 5 GEBDHN CCOc1nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164865721 721118177 /nfs/dbraw/zinc/11/81/77/721118177.db2.gz OVKCYHINYKQQRU-SJORKVTESA-N 0 3 399.451 2.263 20 5 GEBDHN COc1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164909309 721527563 /nfs/dbraw/zinc/52/75/63/721527563.db2.gz RHIKPOAVSLEBJU-GDBMZVCRSA-N 0 3 388.399 2.479 20 5 GEBDHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982810 722101194 /nfs/dbraw/zinc/10/11/94/722101194.db2.gz PEHAQPRLMBULJF-PKOBYXMFSA-N 0 3 383.452 2.421 20 5 GEBDHN COc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164976644 722111073 /nfs/dbraw/zinc/11/10/73/722111073.db2.gz LZWLUIBWPATPRZ-APWZRJJASA-N 0 3 399.451 2.121 20 5 GEBDHN CN1CCC[C@@H]1CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000154745394 531631315 /nfs/dbraw/zinc/63/13/15/531631315.db2.gz CAVVEDFMTPIMGE-LLVKDONJSA-N 0 3 389.193 2.023 20 5 GEBDHN CC(C)[NH2+]CCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123699695 532106334 /nfs/dbraw/zinc/10/63/34/532106334.db2.gz VLSURPRNJXSLML-UHFFFAOYSA-N 0 3 380.264 2.024 20 5 GEBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](O)CN1CCCCC1 ZINC000183662780 532327452 /nfs/dbraw/zinc/32/74/52/532327452.db2.gz KCQVRFLMTJDSHT-CYBMUJFWSA-N 0 3 387.889 2.303 20 5 GEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000184382142 532332549 /nfs/dbraw/zinc/33/25/49/532332549.db2.gz UYHIQSDFASORHY-GFCCVEGCSA-N 0 3 399.289 2.113 20 5 GEBDHN CC1(C)CNCCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000591677841 532420180 /nfs/dbraw/zinc/42/01/80/532420180.db2.gz GRSZNADEOIFQKT-UHFFFAOYSA-N 0 3 389.193 2.023 20 5 GEBDHN C[C@@H](CCCC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000427933642 532438007 /nfs/dbraw/zinc/43/80/07/532438007.db2.gz RTBIEILNDHBEQU-VIFPVBQESA-N 0 3 380.264 2.153 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCOc3c(Br)cccc32)c1 ZINC000282048453 532441640 /nfs/dbraw/zinc/44/16/40/532441640.db2.gz LWCLDQPBGDUMBG-BXUZGUMPSA-N 0 3 397.229 2.028 20 5 GEBDHN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)CCN(C)C ZINC000283006439 532512812 /nfs/dbraw/zinc/51/28/12/532512812.db2.gz XSEGXJSRXSHKIL-UHFFFAOYSA-N 0 3 391.209 2.141 20 5 GEBDHN CCN(CC)CC(=O)N1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596106457 532586514 /nfs/dbraw/zinc/58/65/14/532586514.db2.gz CWRUZRKCZYOMAE-UHFFFAOYSA-N 0 3 399.289 2.348 20 5 GEBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[C@@H]1N1CCN(C)CC1 ZINC000378320576 532690664 /nfs/dbraw/zinc/69/06/64/532690664.db2.gz UZHBRNGIIROANE-DOMZBBRYSA-N 0 3 398.305 2.215 20 5 GEBDHN CCN(C)C[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000266197408 532706372 /nfs/dbraw/zinc/70/63/72/532706372.db2.gz IIHIFSIRQZYJBV-NSHDSACASA-N 0 3 377.413 2.369 20 5 GEBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440083442 532707167 /nfs/dbraw/zinc/70/71/67/532707167.db2.gz WPDODLGFYCBFPP-SNVBAGLBSA-N 0 3 394.291 2.366 20 5 GEBDHN C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000440339642 532710025 /nfs/dbraw/zinc/71/00/25/532710025.db2.gz KPWQFWBLPJMLIU-VHSXEESVSA-N 0 3 381.376 2.280 20 5 GEBDHN C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000440345710 532710889 /nfs/dbraw/zinc/71/08/89/532710889.db2.gz SLGQEECTDVDQKF-NXEZZACHSA-N 0 3 392.275 2.024 20 5 GEBDHN CC(C)C[C@](C)(C[NH3+])[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440412244 532713117 /nfs/dbraw/zinc/71/31/17/532713117.db2.gz KDCJYUHLHIVVGW-CYBMUJFWSA-N 0 3 394.291 2.399 20 5 GEBDHN CN(Cc1ccc(Br)c(F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000494293643 532716243 /nfs/dbraw/zinc/71/62/43/532716243.db2.gz RBMAQTCLWQAEHS-GFCCVEGCSA-N 0 3 387.209 2.186 20 5 GEBDHN O=C(CN[C@H]1CCC[C@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000502856014 532742021 /nfs/dbraw/zinc/74/20/21/532742021.db2.gz NKTCMGXDQGKOAI-GWCFXTLKSA-N 0 3 386.246 2.437 20 5 GEBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)s1 ZINC000443343539 532745867 /nfs/dbraw/zinc/74/58/67/532745867.db2.gz PKZZZZUEJMDDBX-PSASIEDQSA-N 0 3 375.248 2.327 20 5 GEBDHN C[C@@H](C[S@@](C)=O)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289424146 532854698 /nfs/dbraw/zinc/85/46/98/532854698.db2.gz CXOTVOMYRRUSSZ-DCXZOGHSSA-N 0 3 382.223 2.056 20 5 GEBDHN O=C(NCCCN1CCC(O)CC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291938429 532911003 /nfs/dbraw/zinc/91/10/03/532911003.db2.gz NBKLQVKQZGTQGM-UHFFFAOYSA-N 0 3 376.240 2.478 20 5 GEBDHN C[NH+](C)CCCOc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736767583 598674259 /nfs/dbraw/zinc/67/42/59/598674259.db2.gz RGLCWYFBOSFYEJ-UHFFFAOYSA-N 0 3 398.427 2.113 20 5 GEBDHN C[NH+](C)CCCOc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736767583 598674261 /nfs/dbraw/zinc/67/42/61/598674261.db2.gz RGLCWYFBOSFYEJ-UHFFFAOYSA-N 0 3 398.427 2.113 20 5 GEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000820226411 606994818 /nfs/dbraw/zinc/99/48/18/606994818.db2.gz VJZJHWNMLABPGY-GFCCVEGCSA-N 0 3 381.396 2.282 20 5 GEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000820226411 606994819 /nfs/dbraw/zinc/99/48/19/606994819.db2.gz VJZJHWNMLABPGY-GFCCVEGCSA-N 0 3 381.396 2.282 20 5 GEBDHN COc1ccc(CNCCn2cc(Br)ccc2=O)cc1[N+](=O)[O-] ZINC000449372813 650039162 /nfs/dbraw/zinc/03/91/62/650039162.db2.gz AQOSSASBSPLDPK-UHFFFAOYSA-N 0 3 382.214 2.317 20 5 GEBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@H](O)C2CCC2)c1 ZINC000449739993 650048305 /nfs/dbraw/zinc/04/83/05/650048305.db2.gz NGJCNBCNCVXVCB-ZDUSSCGKSA-N 0 3 376.194 2.450 20 5 GEBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000480680834 650627868 /nfs/dbraw/zinc/62/78/68/650627868.db2.gz YORUXSWMLNFSAM-JTQLQIEISA-N 0 3 394.291 2.366 20 5 GEBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000264598785 645694738 /nfs/dbraw/zinc/69/47/38/645694738.db2.gz CSOBMZNGHJRUIR-LLVKDONJSA-N 0 3 392.275 2.072 20 5 GEBDHN COc1cc(CNCCSCCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272362029 646269723 /nfs/dbraw/zinc/26/97/23/646269723.db2.gz FNUBSGDTYDRTQK-UHFFFAOYSA-N 0 3 380.413 2.453 20 5 GEBDHN CN(C)CCn1nccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000297841502 647266288 /nfs/dbraw/zinc/26/62/88/647266288.db2.gz RIFLNIWCYJOFNL-UHFFFAOYSA-N 0 3 382.218 2.368 20 5 GEBDHN C[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000362660075 647570858 /nfs/dbraw/zinc/57/08/58/647570858.db2.gz UUHKFVYEHSVOQH-JSGCOSHPSA-N 0 3 398.305 2.215 20 5 GEBDHN CC1(C)C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000420471214 648419201 /nfs/dbraw/zinc/41/92/01/648419201.db2.gz YDBVSVWYPSUKNX-GFCCVEGCSA-N 0 3 392.275 2.024 20 5 GEBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC(F)(F)C1 ZINC000420973115 648460626 /nfs/dbraw/zinc/46/06/26/648460626.db2.gz MBJNINSBVNCGRV-GFCCVEGCSA-N 0 3 377.413 2.240 20 5 GEBDHN [NH3+][C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000566223585 651604154 /nfs/dbraw/zinc/60/41/54/651604154.db2.gz RKRSZHIYGYCQKJ-MWLCHTKSSA-N 0 3 381.376 2.409 20 5 GEBDHN CC[C@H](C)[N@H+](C)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609158350 651611807 /nfs/dbraw/zinc/61/18/07/651611807.db2.gz VAXFMNVZQDFAPP-JTQLQIEISA-N 0 3 394.291 2.366 20 5 GEBDHN CC[C@H](C)[N@@H+](C)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609158350 651611811 /nfs/dbraw/zinc/61/18/11/651611811.db2.gz VAXFMNVZQDFAPP-JTQLQIEISA-N 0 3 394.291 2.366 20 5 GEBDHN CN(C)CCn1nccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000577017381 652162662 /nfs/dbraw/zinc/16/26/62/652162662.db2.gz IPLWZTAOQCLDGO-UHFFFAOYSA-N 0 3 396.245 2.297 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000757675985 652520297 /nfs/dbraw/zinc/52/02/97/652520297.db2.gz QCNPSCBVLUJWCB-QLFBSQMISA-N 0 3 388.536 2.338 20 5 GEBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H](O)C1CC1 ZINC000589255295 652563758 /nfs/dbraw/zinc/56/37/58/652563758.db2.gz MOOAVYHCTPAHNJ-ZDUSSCGKSA-N 0 3 376.194 2.402 20 5 GEBDHN CCN(CC)CC(=O)N1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000765488426 652840775 /nfs/dbraw/zinc/84/07/75/652840775.db2.gz GOAYLWBOBJKFIR-UHFFFAOYSA-N 0 3 399.289 2.348 20 5 GEBDHN CC(COC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl)[N+](=O)[O-] ZINC000813113854 653463399 /nfs/dbraw/zinc/46/33/99/653463399.db2.gz JXOBOQUEYVHUEC-VIFPVBQESA-N 0 3 378.834 2.239 20 5 GEBDHN CC(COC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)[N+](=O)[O-] ZINC000813112485 653463514 /nfs/dbraw/zinc/46/35/14/653463514.db2.gz QQAFAFDBVUNEFW-VIFPVBQESA-N 0 3 399.197 2.034 20 5 GEBDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815028133 653645679 /nfs/dbraw/zinc/64/56/79/653645679.db2.gz RMJSBHYEBKHOCE-GXFFZTMASA-N 0 3 391.852 2.492 20 5 GEBDHN CN(CCCN1CCCC1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815040247 653647421 /nfs/dbraw/zinc/64/74/21/653647421.db2.gz BPJVFZMLDKDBSG-UHFFFAOYSA-N 0 3 379.841 2.494 20 5 GEBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1cc([N+](=O)[O-])ncc1Br ZINC000863031615 653700691 /nfs/dbraw/zinc/70/06/91/653700691.db2.gz IPKQFWHETYSAKG-NSHDSACASA-N 0 3 383.246 2.499 20 5 GEBDHN C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000842699122 653763452 /nfs/dbraw/zinc/76/34/52/653763452.db2.gz ISBBQGOLQLXZBK-UWVGGRQHSA-N 0 3 392.275 2.024 20 5 GEBDHN C[C@@H](CCCC[NH3+])[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842869301 653771165 /nfs/dbraw/zinc/77/11/65/653771165.db2.gz IZILEIDIHBEJMK-VIFPVBQESA-N 0 3 380.264 2.153 20 5 GEBDHN O=C1Nc2ncc(Br)cc2C[C@@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000897977436 653947062 /nfs/dbraw/zinc/94/70/62/653947062.db2.gz HFLDKRBSCPYBMX-AWEZNQCLSA-N 0 3 391.225 2.448 20 5 GEBDHN CS(=O)(=O)N[C@H]1CCCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000796483041 653998812 /nfs/dbraw/zinc/99/88/12/653998812.db2.gz PKOVQSMUVORXDP-NHYWBVRUSA-N 0 3 375.878 2.446 20 5 GEBDHN CN(C)CCn1nnnc1SCc1cc([N+](=O)[O-])ccc1Br ZINC000916674752 654104546 /nfs/dbraw/zinc/10/45/46/654104546.db2.gz MUIYMCPGPRCBSQ-UHFFFAOYSA-N 0 3 387.263 2.198 20 5 GEBDHN O=[N+]([O-])c1cc(I)cc(CNCCO[C@@H]2CCOC2)c1 ZINC000922936903 654420940 /nfs/dbraw/zinc/42/09/40/654420940.db2.gz QKCJIZGLUHERDW-CYBMUJFWSA-N 0 3 392.193 2.095 20 5 GEBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856738105 654488947 /nfs/dbraw/zinc/48/89/47/654488947.db2.gz SFAKNXRBEIEWDB-AWEZNQCLSA-N 0 3 397.273 2.276 20 5 GEBDHN C[C@](CO)(NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(Br)c1 ZINC000934496518 654850955 /nfs/dbraw/zinc/85/09/55/654850955.db2.gz LJVSDAPGFOOBLF-MRXNPFEDSA-N 0 3 396.241 2.016 20 5 GEBDHN O=[N+]([O-])c1ccc2ccnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164746379 720746789 /nfs/dbraw/zinc/74/67/89/720746789.db2.gz XSNDYZLFGXYOEY-DLBZAZTESA-N 0 3 392.419 2.275 20 5 GEBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164751929 720803717 /nfs/dbraw/zinc/80/37/17/720803717.db2.gz YDFUYZZAGUPLKR-SJORKVTESA-N 0 3 392.419 2.275 20 5 GEBDHN Cc1c(C)c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164864085 721099603 /nfs/dbraw/zinc/09/96/03/721099603.db2.gz DZLGFSDOCCKTIE-QZTJIDSGSA-N 0 3 383.452 2.481 20 5 GEBDHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5cc([N+](=O)[O-])ccc54)C[C@@H]3C2)cn1 ZINC001164773734 721119106 /nfs/dbraw/zinc/11/91/06/721119106.db2.gz YVLOBFFTCLBYMS-CVEARBPZSA-N 0 3 393.451 2.230 20 5 GEBDHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5cccc([N+](=O)[O-])c54)C[C@@H]3C2)cn1 ZINC001164763867 721232220 /nfs/dbraw/zinc/23/22/20/721232220.db2.gz NJLKGRYFRGSNJR-HOTGVXAUSA-N 0 3 393.451 2.230 20 5 GEBDHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5cccc([N+](=O)[O-])c54)C[C@H]3C2)cn1 ZINC001164763869 721232836 /nfs/dbraw/zinc/23/28/36/721232836.db2.gz NJLKGRYFRGSNJR-JKSUJKDBSA-N 0 3 393.451 2.230 20 5 GEBDHN Cc1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164977275 722100964 /nfs/dbraw/zinc/10/09/64/722100964.db2.gz FQBUPWSUFYULQE-HKUYNNGSSA-N 0 3 383.452 2.421 20 5 GEBDHN COCCN1CCC[C@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120613033 531986326 /nfs/dbraw/zinc/98/63/26/531986326.db2.gz YZHQAMYSSHURBB-ZDUSSCGKSA-N 0 3 386.246 2.198 20 5 GEBDHN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000123845863 532108708 /nfs/dbraw/zinc/10/87/08/532108708.db2.gz RBGDKBCRRRCNSF-JTQLQIEISA-N 0 3 392.275 2.025 20 5 GEBDHN CC(C)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Br ZINC000181524025 532300231 /nfs/dbraw/zinc/30/02/31/532300231.db2.gz QEZQCFQZRQUZPI-LBPRGKRZSA-N 0 3 383.246 2.440 20 5 GEBDHN CC1(C)CNCCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000591678175 532420488 /nfs/dbraw/zinc/42/04/88/532420488.db2.gz LTYUFLOBRMXEIB-UHFFFAOYSA-N 0 3 389.193 2.023 20 5 GEBDHN C[C@H](CCCC[NH3+])[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000427930826 532438145 /nfs/dbraw/zinc/43/81/45/532438145.db2.gz KHZXFCKSDQECRX-SECBINFHSA-N 0 3 380.264 2.153 20 5 GEBDHN CSC1(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CCN(C)CC1 ZINC000563325978 532499096 /nfs/dbraw/zinc/49/90/96/532499096.db2.gz POZNOXAIGHQDJC-UHFFFAOYSA-N 0 3 387.527 2.317 20 5 GEBDHN C[C@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])cc2I)[C@H]1C ZINC000262906988 532606766 /nfs/dbraw/zinc/60/67/66/532606766.db2.gz YFGNSAOHTCXOPY-BDAKNGLRSA-N 0 3 389.193 2.022 20 5 GEBDHN C[C@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])cc2I)[C@@H]1C ZINC000262906998 532607025 /nfs/dbraw/zinc/60/70/25/532607025.db2.gz YFGNSAOHTCXOPY-RKDXNWHRSA-N 0 3 389.193 2.022 20 5 GEBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597695122 532624799 /nfs/dbraw/zinc/62/47/99/532624799.db2.gz QKZNCBUOIOFMKN-LSDHHAIUSA-N 0 3 398.257 2.293 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000285486920 532683905 /nfs/dbraw/zinc/68/39/05/532683905.db2.gz IKGRZHLKMQJYKG-WFASDCNBSA-N 0 3 389.239 2.172 20 5 GEBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000378290795 532689888 /nfs/dbraw/zinc/68/98/88/532689888.db2.gz YRUPCXFQMQXAQZ-VXGBXAGGSA-N 0 3 399.245 2.342 20 5 GEBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[C@@H]1N1CCN(C)CC1 ZINC000378320579 532691087 /nfs/dbraw/zinc/69/10/87/532691087.db2.gz UZHBRNGIIROANE-WFASDCNBSA-N 0 3 398.305 2.215 20 5 GEBDHN CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440442068 532715111 /nfs/dbraw/zinc/71/51/11/532715111.db2.gz HEOQIOADKAVMMI-VIFPVBQESA-N 0 3 380.264 2.153 20 5 GEBDHN CN(C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000445747866 532753759 /nfs/dbraw/zinc/75/37/59/532753759.db2.gz GWXOPNYUQRQPLX-UHFFFAOYSA-N 0 3 392.275 2.120 20 5 GEBDHN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc1SC ZINC000270412615 532797596 /nfs/dbraw/zinc/79/75/96/532797596.db2.gz BLLAAZKAQGOFGQ-WFASDCNBSA-N 0 3 385.511 2.443 20 5 GEBDHN COc1cc(CNC[C@](C)(O)CSC)c([N+](=O)[O-])cc1OCC(F)F ZINC000272411187 532815182 /nfs/dbraw/zinc/81/51/82/532815182.db2.gz LAAGQGYXWJATMH-HNNXBMFYSA-N 0 3 380.413 2.451 20 5 GEBDHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000414465228 532829501 /nfs/dbraw/zinc/82/95/01/532829501.db2.gz QDJVCOVUBGSRFP-STQMWFEESA-N 0 3 392.275 2.118 20 5 GEBDHN CNC(=O)C(C)(C)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289486269 532856422 /nfs/dbraw/zinc/85/64/22/532856422.db2.gz KLUUDCRYWGRQAY-UHFFFAOYSA-N 0 3 391.209 2.061 20 5 GEBDHN CN(C[C@H](O)COc1ccc(I)cc1[N+](=O)[O-])C1CC1 ZINC000290512329 532882508 /nfs/dbraw/zinc/88/25/08/532882508.db2.gz BQAMOWYAHSOWDM-NSHDSACASA-N 0 3 392.193 2.033 20 5 GEBDHN O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000369347966 532938574 /nfs/dbraw/zinc/93/85/74/532938574.db2.gz RCHNVFRPMPYBIJ-AWEZNQCLSA-N 0 3 399.289 2.176 20 5 GEBDHN C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736204944 598498558 /nfs/dbraw/zinc/49/85/58/598498558.db2.gz UNNSPAKOIATMQY-OCCSQVGLSA-N 0 3 380.412 2.417 20 5 GEBDHN C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736204944 598498560 /nfs/dbraw/zinc/49/85/60/598498560.db2.gz UNNSPAKOIATMQY-OCCSQVGLSA-N 0 3 380.412 2.417 20 5 GEBDHN C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736204944 598498561 /nfs/dbraw/zinc/49/85/61/598498561.db2.gz UNNSPAKOIATMQY-OCCSQVGLSA-N 0 3 380.412 2.417 20 5 GEBDHN C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736204944 598498563 /nfs/dbraw/zinc/49/85/63/598498563.db2.gz UNNSPAKOIATMQY-OCCSQVGLSA-N 0 3 380.412 2.417 20 5 GEBDHN O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000823650926 599346269 /nfs/dbraw/zinc/34/62/69/599346269.db2.gz DNBWPHRSVXVLQN-UHFFFAOYSA-N 0 3 380.412 2.246 20 5 GEBDHN O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000823650926 599346272 /nfs/dbraw/zinc/34/62/72/599346272.db2.gz DNBWPHRSVXVLQN-UHFFFAOYSA-N 0 3 380.412 2.246 20 5 GEBDHN CN(C)C1(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000445712084 649964326 /nfs/dbraw/zinc/96/43/26/649964326.db2.gz ONWHNCWUQKDMES-UHFFFAOYSA-N 0 3 392.275 2.120 20 5 GEBDHN CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820751708 606806052 /nfs/dbraw/zinc/80/60/52/606806052.db2.gz HQYYVGUUUWWKRB-MEDUHNTESA-N 0 3 382.428 2.464 20 5 GEBDHN CC(C)[N@H+]1C[C@H](C)[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820751708 606806053 /nfs/dbraw/zinc/80/60/53/606806053.db2.gz HQYYVGUUUWWKRB-MEDUHNTESA-N 0 3 382.428 2.464 20 5 GEBDHN CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820751708 606806054 /nfs/dbraw/zinc/80/60/54/606806054.db2.gz HQYYVGUUUWWKRB-MEDUHNTESA-N 0 3 382.428 2.464 20 5 GEBDHN CC(C)[N@H+]1C[C@H](C)[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820751708 606806055 /nfs/dbraw/zinc/80/60/55/606806055.db2.gz HQYYVGUUUWWKRB-MEDUHNTESA-N 0 3 382.428 2.464 20 5 GEBDHN C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824586069 608484935 /nfs/dbraw/zinc/48/49/35/608484935.db2.gz XBGRQWVPFJTQAD-GFCCVEGCSA-N 0 3 381.396 2.454 20 5 GEBDHN C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824586069 608484936 /nfs/dbraw/zinc/48/49/36/608484936.db2.gz XBGRQWVPFJTQAD-GFCCVEGCSA-N 0 3 381.396 2.454 20 5 GEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000449187090 650033847 /nfs/dbraw/zinc/03/38/47/650033847.db2.gz KFFKQRKTDLKTQG-JSGCOSHPSA-N 0 3 384.479 2.012 20 5 GEBDHN CCOc1cc(CNCCn2cc([N+](=O)[O-])cn2)cc(Br)c1O ZINC000459444310 650424504 /nfs/dbraw/zinc/42/45/04/650424504.db2.gz NRBNJULLVYIPBJ-UHFFFAOYSA-N 0 3 385.218 2.448 20 5 GEBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000131193381 643867673 /nfs/dbraw/zinc/86/76/73/643867673.db2.gz HXFUJHTUUOUZGJ-SNVBAGLBSA-N 0 3 394.291 2.366 20 5 GEBDHN CN(CCSc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000193744253 645295557 /nfs/dbraw/zinc/29/55/57/645295557.db2.gz FXHHMRSNJQLRAX-UHFFFAOYSA-N 0 3 381.479 2.466 20 5 GEBDHN CCN(CCO)CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280793914 646717381 /nfs/dbraw/zinc/71/73/81/646717381.db2.gz QJLVQLFZTBARFU-UHFFFAOYSA-N 0 3 389.250 2.101 20 5 GEBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301909277 647276565 /nfs/dbraw/zinc/27/65/65/647276565.db2.gz AWJNSRYRVITEFA-AWEZNQCLSA-N 0 3 397.273 2.276 20 5 GEBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000362202935 647568340 /nfs/dbraw/zinc/56/83/40/647568340.db2.gz WKNRZZKEKFLPON-AWEZNQCLSA-N 0 3 398.257 2.340 20 5 GEBDHN CCCCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000732815339 651676549 /nfs/dbraw/zinc/67/65/49/651676549.db2.gz LPJBYJIPWHDBQX-UHFFFAOYSA-N 0 3 394.291 2.368 20 5 GEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCC[C@@H]1CCC[NH2+]1 ZINC000579591723 652345946 /nfs/dbraw/zinc/34/59/46/652345946.db2.gz KZZDMGRZNMSGCW-NSHDSACASA-N 0 3 381.376 2.424 20 5 GEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCC[C@H]1CCC[NH2+]1 ZINC000579591722 652346086 /nfs/dbraw/zinc/34/60/86/652346086.db2.gz KZZDMGRZNMSGCW-LLVKDONJSA-N 0 3 381.376 2.424 20 5 GEBDHN CS(=O)(=O)N1CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000581948576 652429020 /nfs/dbraw/zinc/42/90/20/652429020.db2.gz RUZDEKJWOOFGKY-ZDUSSCGKSA-N 0 3 381.479 2.447 20 5 GEBDHN [NH3+][C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000592391855 652593262 /nfs/dbraw/zinc/59/32/62/652593262.db2.gz OUXJEBYTDIULLJ-VHSXEESVSA-N 0 3 392.275 2.153 20 5 GEBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599674842 652883333 /nfs/dbraw/zinc/88/33/33/652883333.db2.gz JHFZQKMIFOVOPV-LBPRGKRZSA-N 0 3 398.257 2.340 20 5 GEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599783726 652889738 /nfs/dbraw/zinc/88/97/38/652889738.db2.gz YNUSDUOQWYHDCV-LBPRGKRZSA-N 0 3 399.289 2.113 20 5 GEBDHN CN(C)C[C@@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000768859585 653132599 /nfs/dbraw/zinc/13/25/99/653132599.db2.gz YDDYFATZLXXMCX-LLVKDONJSA-N 0 3 383.451 2.174 20 5 GEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809822248 653302035 /nfs/dbraw/zinc/30/20/35/653302035.db2.gz FIOAIDRVOYDSSZ-JTQLQIEISA-N 0 3 379.841 2.492 20 5 GEBDHN COc1cc(I)c(C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813109989 653463005 /nfs/dbraw/zinc/46/30/05/653463005.db2.gz YFDMIXGZMJSBGP-SSDOTTSWSA-N 0 3 395.149 2.130 20 5 GEBDHN CC(COC(=O)c1cc(I)cc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813114601 653463652 /nfs/dbraw/zinc/46/36/52/653463652.db2.gz UFPOCMLKPKIJJZ-LURJTMIESA-N 0 3 380.094 2.021 20 5 GEBDHN CCN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(C)C ZINC000780856813 653633664 /nfs/dbraw/zinc/63/36/64/653633664.db2.gz RYMWQULEIKWRCO-UHFFFAOYSA-N 0 3 394.291 2.366 20 5 GEBDHN CN(C)C1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC000782481851 653662342 /nfs/dbraw/zinc/66/23/42/653662342.db2.gz DZMWSTLFHYMHET-UHFFFAOYSA-N 0 3 392.275 2.120 20 5 GEBDHN CS(=O)(=O)c1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000819264571 653747297 /nfs/dbraw/zinc/74/72/97/653747297.db2.gz XGSOJSKICQWDGY-HNNXBMFYSA-N 0 3 384.841 2.475 20 5 GEBDHN CC1(C)C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842483832 653758359 /nfs/dbraw/zinc/75/83/59/653758359.db2.gz RMSAZIBRRAUYKA-LBPRGKRZSA-N 0 3 392.275 2.024 20 5 GEBDHN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCC[C@H]2CCC[NH2+]2)c1 ZINC000842892253 653772331 /nfs/dbraw/zinc/77/23/31/653772331.db2.gz AEOYXKKQKGUAPC-SNVBAGLBSA-N 0 3 392.275 2.168 20 5 GEBDHN CN1CC[C@@H]2CN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866205491 653788914 /nfs/dbraw/zinc/78/89/14/653788914.db2.gz MRKMLRUVDGDQLS-ZYHUDNBSSA-N 0 3 375.397 2.122 20 5 GEBDHN Cc1ccc(N2CN(CCN(C)C)C(=O)[C@H]2C)c([N+](=O)[O-])c1Br ZINC000826684928 653957699 /nfs/dbraw/zinc/95/76/99/653957699.db2.gz BNALWSUNCZIONE-LLVKDONJSA-N 0 3 385.262 2.222 20 5 GEBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cc([N+](=O)[O-])ncc1Br ZINC000848352538 653971915 /nfs/dbraw/zinc/97/19/15/653971915.db2.gz QOCLOFDDSPCVEF-QWHCGFSZSA-N 0 3 383.246 2.499 20 5 GEBDHN C[C@@]1(Br)C[C@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000893563839 654408523 /nfs/dbraw/zinc/40/85/23/654408523.db2.gz ULHGLCQOFHNZJY-GXFFZTMASA-N 0 3 377.260 2.132 20 5 GEBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856736000 654488547 /nfs/dbraw/zinc/48/85/47/654488547.db2.gz KDZYVNGOGFOOMF-CQSZACIVSA-N 0 3 397.273 2.100 20 5 GEBDHN O=[N+]([O-])c1ccccc1CNCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000069876074 531913499 /nfs/dbraw/zinc/91/34/99/531913499.db2.gz OCFWYILQXSDVBT-UHFFFAOYSA-N 0 3 381.376 2.246 20 5 GEBDHN O=[N+]([O-])c1cc(CNCC2CCN(S(=O)(=O)C(F)(F)F)CC2)cs1 ZINC000069875883 531913601 /nfs/dbraw/zinc/91/36/01/531913601.db2.gz NKSJISLOBIHGDJ-UHFFFAOYSA-N 0 3 387.405 2.308 20 5 GEBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000131228571 532195066 /nfs/dbraw/zinc/19/50/66/532195066.db2.gz QZFYSHWUPIHVQY-SNVBAGLBSA-N 0 3 392.275 2.072 20 5 GEBDHN Cc1nc(C)c([C@@H](C)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000180940877 532286310 /nfs/dbraw/zinc/28/63/10/532286310.db2.gz PAVSTMJLXYEORR-SNVBAGLBSA-N 0 3 384.483 2.297 20 5 GEBDHN CN1C[C@H]2CCN(Cc3cc(I)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590011946 532366367 /nfs/dbraw/zinc/36/63/67/532366367.db2.gz NLKKLRNJLROPDX-BXUZGUMPSA-N 0 3 387.221 2.335 20 5 GEBDHN CSCC[C@@H](CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000517204718 532408706 /nfs/dbraw/zinc/40/87/06/532408706.db2.gz GXXCAMIQZYLQEY-NSHDSACASA-N 0 3 396.250 2.403 20 5 GEBDHN C[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000374306515 532497922 /nfs/dbraw/zinc/49/79/22/532497922.db2.gz ALYFJKUNJXKERD-GXTWGEPZSA-N 0 3 398.305 2.215 20 5 GEBDHN CN1CCC[C@H]1C(=O)N1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596167620 532590085 /nfs/dbraw/zinc/59/00/85/532590085.db2.gz FEWWAATXLKQTKD-AWEZNQCLSA-N 0 3 397.273 2.100 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](c2cncc(Br)c2)C2CC2)c1 ZINC000284879264 532629302 /nfs/dbraw/zinc/62/93/02/532629302.db2.gz SWMHERJKQLUOFB-HUUCEWRRSA-N 0 3 396.245 2.051 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000440417174 532712912 /nfs/dbraw/zinc/71/29/12/532712912.db2.gz XLARXASTAZNCTF-JTQLQIEISA-N 0 3 392.275 2.025 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000287907782 532813280 /nfs/dbraw/zinc/81/32/80/532813280.db2.gz ZYZZSLNCJNGELN-GWCFXTLKSA-N 0 3 382.360 2.068 20 5 GEBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@]2(O)CCSC2)c1 ZINC000289528264 532858128 /nfs/dbraw/zinc/85/81/28/532858128.db2.gz OINDRKLCSODITO-GFCCVEGCSA-N 0 3 394.234 2.157 20 5 GEBDHN O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738373701 598675132 /nfs/dbraw/zinc/67/51/32/598675132.db2.gz FUVLZVSDOKICQG-OAHLLOKOSA-N 0 3 394.439 2.146 20 5 GEBDHN O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738373701 598675134 /nfs/dbraw/zinc/67/51/34/598675134.db2.gz FUVLZVSDOKICQG-OAHLLOKOSA-N 0 3 394.439 2.146 20 5 GEBDHN O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738373701 598675136 /nfs/dbraw/zinc/67/51/36/598675136.db2.gz FUVLZVSDOKICQG-OAHLLOKOSA-N 0 3 394.439 2.146 20 5 GEBDHN O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738373701 598675139 /nfs/dbraw/zinc/67/51/39/598675139.db2.gz FUVLZVSDOKICQG-OAHLLOKOSA-N 0 3 394.439 2.146 20 5 GEBDHN C[NH+](C)CCOc1ccc(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000736768942 598797521 /nfs/dbraw/zinc/79/75/21/598797521.db2.gz JZJBKDMUVOZNAR-UHFFFAOYSA-N 0 3 397.439 2.370 20 5 GEBDHN CCN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000444165305 649938668 /nfs/dbraw/zinc/93/86/68/649938668.db2.gz GLWNNCZEOBYZMX-UHFFFAOYSA-N 0 3 394.291 2.366 20 5 GEBDHN C[N@@H+]1CCC[C@@H]2CN(c3cc(-c4nnn[n-]4)c4cc([N+](=O)[O-])ccc4n3)CC[C@H]21 ZINC000821625063 607030301 /nfs/dbraw/zinc/03/03/01/607030301.db2.gz FALKAARTJCOKPK-SJKOYZFVSA-N 0 3 394.439 2.244 20 5 GEBDHN C[N@H+]1CCC[C@@H]2CN(c3cc(-c4nnn[n-]4)c4cc([N+](=O)[O-])ccc4n3)CC[C@H]21 ZINC000821625063 607030303 /nfs/dbraw/zinc/03/03/03/607030303.db2.gz FALKAARTJCOKPK-SJKOYZFVSA-N 0 3 394.439 2.244 20 5 GEBDHN C[N@@H+]1CCC[C@@H]2CN(c3cc(-c4nn[n-]n4)c4cc([N+](=O)[O-])ccc4n3)CC[C@H]21 ZINC000821625063 607030305 /nfs/dbraw/zinc/03/03/05/607030305.db2.gz FALKAARTJCOKPK-SJKOYZFVSA-N 0 3 394.439 2.244 20 5 GEBDHN C[N@H+]1CCC[C@@H]2CN(c3cc(-c4nn[n-]n4)c4cc([N+](=O)[O-])ccc4n3)CC[C@H]21 ZINC000821625063 607030307 /nfs/dbraw/zinc/03/03/07/607030307.db2.gz FALKAARTJCOKPK-SJKOYZFVSA-N 0 3 394.439 2.244 20 5 GEBDHN CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428315 608061204 /nfs/dbraw/zinc/06/12/04/608061204.db2.gz JHICEPISDJHAIM-CYBMUJFWSA-N 0 3 383.412 2.020 20 5 GEBDHN CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428315 608061205 /nfs/dbraw/zinc/06/12/05/608061205.db2.gz JHICEPISDJHAIM-CYBMUJFWSA-N 0 3 383.412 2.020 20 5 GEBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@@H](O)C2CCC2)c1 ZINC000449739992 650048178 /nfs/dbraw/zinc/04/81/78/650048178.db2.gz NGJCNBCNCVXVCB-CYBMUJFWSA-N 0 3 376.194 2.450 20 5 GEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H](O)[C@H](CO)C3)o2)c(Br)c1 ZINC000459702138 650430061 /nfs/dbraw/zinc/43/00/61/650430061.db2.gz KZGQHUQKWCTWLR-BONVTDFDSA-N 0 3 397.225 2.402 20 5 GEBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1N(C)C ZINC000489245082 650756536 /nfs/dbraw/zinc/75/65/36/650756536.db2.gz FDBLOCQIQFAJAB-DGCLKSJQSA-N 0 3 375.397 2.314 20 5 GEBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000116346780 643458992 /nfs/dbraw/zinc/45/89/92/643458992.db2.gz RXXZAZBGNXZFIV-NSHDSACASA-N 0 3 392.275 2.072 20 5 GEBDHN COCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000119835945 643573516 /nfs/dbraw/zinc/57/35/16/643573516.db2.gz YUECVJBKHQJKOY-UHFFFAOYSA-N 0 3 386.246 2.198 20 5 GEBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000131193600 643867612 /nfs/dbraw/zinc/86/76/12/643867612.db2.gz HXFUJHTUUOUZGJ-JTQLQIEISA-N 0 3 394.291 2.366 20 5 GEBDHN COCCN(CCN(C)C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543291565 650906056 /nfs/dbraw/zinc/90/60/56/650906056.db2.gz MZPHFDCYTHCSLW-UHFFFAOYSA-N 0 3 375.878 2.377 20 5 GEBDHN Cc1c(Br)c(N(C)CCCN2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000543436150 650911834 /nfs/dbraw/zinc/91/18/34/650911834.db2.gz LAJVSODXEFODAZ-UHFFFAOYSA-N 0 3 386.294 2.134 20 5 GEBDHN CN(C)CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000544863873 650956785 /nfs/dbraw/zinc/95/67/85/650956785.db2.gz GFZAFLIMOHCCRG-UHFFFAOYSA-N 0 3 392.275 2.120 20 5 GEBDHN CN(C)CC1(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000546198402 650995296 /nfs/dbraw/zinc/99/52/96/650995296.db2.gz WMCXVHFSGAJSLY-UHFFFAOYSA-N 0 3 392.275 2.120 20 5 GEBDHN CC(C)C[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236625284 645414634 /nfs/dbraw/zinc/41/46/34/645414634.db2.gz WATVTRCJCHKPJU-SNVBAGLBSA-N 0 3 380.264 2.009 20 5 GEBDHN CCC([NH3+])(CC)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236851314 645420172 /nfs/dbraw/zinc/42/01/72/645420172.db2.gz UGPILCQJDPIXJI-UHFFFAOYSA-N 0 3 380.264 2.153 20 5 GEBDHN CN1CCN(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1(C)C ZINC000281650325 646785695 /nfs/dbraw/zinc/78/56/95/646785695.db2.gz BJVVHIGIOZGFFR-UHFFFAOYSA-N 0 3 399.289 2.113 20 5 GEBDHN C[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000362660078 647570919 /nfs/dbraw/zinc/57/09/19/647570919.db2.gz UUHKFVYEHSVOQH-OCCSQVGLSA-N 0 3 398.305 2.215 20 5 GEBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000363713435 647606599 /nfs/dbraw/zinc/60/65/99/647606599.db2.gz XHRGSQMDHLFGGT-ZDUSSCGKSA-N 0 3 398.257 2.340 20 5 GEBDHN CN(CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)S(C)(=O)=O ZINC000609598486 651626361 /nfs/dbraw/zinc/62/63/61/651626361.db2.gz NLZNMYBZCSFXCC-UHFFFAOYSA-N 0 3 384.483 2.089 20 5 GEBDHN CSC1(CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CCN(C)CC1 ZINC000570488188 651770644 /nfs/dbraw/zinc/77/06/44/651770644.db2.gz PATRBNURYXGZJP-UHFFFAOYSA-N 0 3 387.527 2.317 20 5 GEBDHN C[S@](=O)CCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000572351681 651886722 /nfs/dbraw/zinc/88/67/22/651886722.db2.gz CDRQUBDTZFEPJH-SFHVURJKSA-N 0 3 382.223 2.058 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000593732460 652633939 /nfs/dbraw/zinc/63/39/39/652633939.db2.gz MUVNPUJWWJJHPA-UHFFFAOYSA-N 0 3 381.376 2.282 20 5 GEBDHN CSC1(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CC[NH+](C)CC1 ZINC000601416317 653093126 /nfs/dbraw/zinc/09/31/26/653093126.db2.gz OILBTJIWZNMNRI-UHFFFAOYSA-N 0 3 391.490 2.148 20 5 GEBDHN O=[N+]([O-])c1cc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1Br ZINC000769326735 653148918 /nfs/dbraw/zinc/14/89/18/653148918.db2.gz GCWRWWOVWGBKMS-ZBFHGGJFSA-N 0 3 384.274 2.388 20 5 GEBDHN O=[N+]([O-])c1cc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1Br ZINC000769326727 653149205 /nfs/dbraw/zinc/14/92/05/653149205.db2.gz GCWRWWOVWGBKMS-GDBMZVCRSA-N 0 3 384.274 2.388 20 5 GEBDHN CN(CCCN1CCCC1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809842089 653308774 /nfs/dbraw/zinc/30/87/74/653308774.db2.gz AQWYXINKZQINRV-UHFFFAOYSA-N 0 3 379.841 2.494 20 5 GEBDHN CSC1(CNS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)CCN(C)CC1 ZINC000810083436 653322865 /nfs/dbraw/zinc/32/28/65/653322865.db2.gz DSZMINAIUYLOSF-UHFFFAOYSA-N 0 3 391.490 2.148 20 5 GEBDHN CC(COC(=O)CCCS(=O)(=O)c1ccc(Br)cc1)[N+](=O)[O-] ZINC000813112648 653463335 /nfs/dbraw/zinc/46/33/35/653463335.db2.gz SAXGPROJLOTOAL-SNVBAGLBSA-N 0 3 394.243 2.211 20 5 GEBDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815014112 653643633 /nfs/dbraw/zinc/64/36/33/653643633.db2.gz WQRWAYFFUMGFKD-JTQLQIEISA-N 0 3 379.841 2.350 20 5 GEBDHN CN1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000815024901 653645111 /nfs/dbraw/zinc/64/51/11/653645111.db2.gz ORLNEDGQVZNCDD-MFKMUULPSA-N 0 3 391.852 2.492 20 5 GEBDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])C2)C1 ZINC000815049310 653648167 /nfs/dbraw/zinc/64/81/67/653648167.db2.gz YTSUGLMHFYPRDS-CQSZACIVSA-N 0 3 377.825 2.104 20 5 GEBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000784724166 653698855 /nfs/dbraw/zinc/69/88/55/653698855.db2.gz ZFGOXMLWKXLZRP-JTQLQIEISA-N 0 3 394.291 2.366 20 5 GEBDHN CS(=O)(=O)c1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000819264536 653747402 /nfs/dbraw/zinc/74/74/02/653747402.db2.gz WUCIOZKOVJRCSU-HNNXBMFYSA-N 0 3 384.841 2.475 20 5 GEBDHN [NH3+]C1CC2(C1)CC([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000842797947 653768063 /nfs/dbraw/zinc/76/80/63/653768063.db2.gz VPPYGBFOUDYJTP-UHFFFAOYSA-N 0 3 379.360 2.162 20 5 GEBDHN CN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CN2CCC1CC2 ZINC000865713406 653772364 /nfs/dbraw/zinc/77/23/64/653772364.db2.gz PRPNIDFANJTNRW-HNNXBMFYSA-N 0 3 382.258 2.452 20 5 GEBDHN CN1CC[C@@H]2CN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866205490 653788800 /nfs/dbraw/zinc/78/88/00/653788800.db2.gz MRKMLRUVDGDQLS-PWSUYJOCSA-N 0 3 375.397 2.122 20 5 GEBDHN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@@H]1CCN(C2CC2)C1 ZINC000883416060 653839524 /nfs/dbraw/zinc/83/95/24/653839524.db2.gz KUEUCGPKDLWXEY-GFCCVEGCSA-N 0 3 383.246 2.393 20 5 GEBDHN CSC1(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000867280748 653908462 /nfs/dbraw/zinc/90/84/62/653908462.db2.gz YABKTZVBCWXJAS-UHFFFAOYSA-N 0 3 391.490 2.148 20 5 GEBDHN CN1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c2cnccc21 ZINC000798227033 654055685 /nfs/dbraw/zinc/05/56/85/654055685.db2.gz IGEYJTSKIVSKRW-UHFFFAOYSA-N 0 3 386.792 2.427 20 5 GEBDHN CN1CCC[C@H]1C(=O)N1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856735999 654488566 /nfs/dbraw/zinc/48/85/66/654488566.db2.gz KDZYVNGOGFOOMF-AWEZNQCLSA-N 0 3 397.273 2.100 20 5 GEBDHN C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000925516222 654545552 /nfs/dbraw/zinc/54/55/52/654545552.db2.gz WFYVXWYEQAGZND-NSHDSACASA-N 0 3 375.878 2.398 20 5 GEBDHN CN1C[C@@H]2CN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)C[C@]2(C)C1 ZINC000907566046 654558679 /nfs/dbraw/zinc/55/86/79/654558679.db2.gz VYNXPOXPQAGLKP-OTYXRUKQSA-N 0 3 394.280 2.474 20 5 GEBDHN O=[N+]([O-])c1cccc(Br)c1CN1CC[C@H]2[C@H]1CCCN2CCO ZINC000934275289 654842715 /nfs/dbraw/zinc/84/27/15/654842715.db2.gz OIYNRVXTQFNLRT-CVEARBPZSA-N 0 3 384.274 2.388 20 5 GEBDHN CS[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C[C@H]1N(C)C ZINC000935111499 654876405 /nfs/dbraw/zinc/87/64/05/654876405.db2.gz PSPGWXZEACBMRA-NXEZZACHSA-N 0 3 376.841 2.087 20 5 GEBDHN CNC(=O)CN1CCCC12CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)CC2 ZINC001164682541 719715310 /nfs/dbraw/zinc/71/53/10/719715310.db2.gz FOGZZKQEJNUVHJ-UHFFFAOYSA-N 0 3 383.452 2.324 20 5 GEBDHN CSc1ccc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000008169615 531545660 /nfs/dbraw/zinc/54/56/60/531545660.db2.gz CNVIFAZFRLFXBA-UHFFFAOYSA-N 0 3 381.479 2.385 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC2(c3ccc(Br)cc3)CC2)c1 ZINC000173273508 532001638 /nfs/dbraw/zinc/00/16/38/532001638.db2.gz KOSUYTZCRGWAQD-CQSZACIVSA-N 0 3 381.230 2.194 20 5 GEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000184390726 532332491 /nfs/dbraw/zinc/33/24/91/532332491.db2.gz QRNXNNHPFMUANR-GFCCVEGCSA-N 0 3 399.289 2.113 20 5 GEBDHN Cc1cc(S(=O)(=O)NCCNCCc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000590594316 532377358 /nfs/dbraw/zinc/37/73/58/532377358.db2.gz POAAJCIKPAJOBN-UHFFFAOYSA-N 0 3 383.495 2.384 20 5 GEBDHN C[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000374253184 532496130 /nfs/dbraw/zinc/49/61/30/532496130.db2.gz FXYPGVBTXHQATE-GFCCVEGCSA-N 0 3 398.305 2.357 20 5 GEBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)[C@@H](C)CN1 ZINC000237640254 532509183 /nfs/dbraw/zinc/50/91/83/532509183.db2.gz RMBPIDUXNGJKIQ-IUCAKERBSA-N 0 3 389.193 2.022 20 5 GEBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000375746014 532581631 /nfs/dbraw/zinc/58/16/31/532581631.db2.gz SNEFENKRMAHXBQ-CYBMUJFWSA-N 0 3 381.479 2.457 20 5 GEBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597693121 532624865 /nfs/dbraw/zinc/62/48/65/532624865.db2.gz BFBQLIFHXVAPMX-HUUCEWRRSA-N 0 3 398.257 2.293 20 5 GEBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597695121 532624871 /nfs/dbraw/zinc/62/48/71/532624871.db2.gz QKZNCBUOIOFMKN-HUUCEWRRSA-N 0 3 398.257 2.293 20 5 GEBDHN [NH3+][C@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000567862122 532666739 /nfs/dbraw/zinc/66/67/39/532666739.db2.gz NAEYOPSHOSJHOP-ONGXEEELSA-N 0 3 392.275 2.153 20 5 GEBDHN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000567898969 532670384 /nfs/dbraw/zinc/67/03/84/532670384.db2.gz JITHRHDGRGIAJJ-NSHDSACASA-N 0 3 392.275 2.168 20 5 GEBDHN CCN(CC)CCNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000439243118 532686884 /nfs/dbraw/zinc/68/68/84/532686884.db2.gz BMQDCNOPBXVRGC-UHFFFAOYSA-N 0 3 394.291 2.286 20 5 GEBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[C@H]1N1CCN(C)CC1 ZINC000378320578 532690703 /nfs/dbraw/zinc/69/07/03/532690703.db2.gz UZHBRNGIIROANE-SWLSCSKDSA-N 0 3 398.305 2.215 20 5 GEBDHN C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000440345493 532709946 /nfs/dbraw/zinc/70/99/46/532709946.db2.gz YXMGVAQLCLIQQN-UWVGGRQHSA-N 0 3 392.275 2.024 20 5 GEBDHN CC(C)C[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440431265 532714343 /nfs/dbraw/zinc/71/43/43/532714343.db2.gz IGHGFDKPYVYAMB-SECBINFHSA-N 0 3 380.264 2.009 20 5 GEBDHN CN(CCNC(=O)c1ccc([N+](=O)[O-])cc1I)C1CC1 ZINC000299678035 532734894 /nfs/dbraw/zinc/73/48/94/532734894.db2.gz QZGZDTHRDBZKSP-UHFFFAOYSA-N 0 3 389.193 2.023 20 5 GEBDHN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc1SC ZINC000270412606 532797756 /nfs/dbraw/zinc/79/77/56/532797756.db2.gz BLLAAZKAQGOFGQ-IUODEOHRSA-N 0 3 385.511 2.443 20 5 GEBDHN O=[N+]([O-])c1cc(I)cc(CNCCSCCCO)c1 ZINC000289421574 532854083 /nfs/dbraw/zinc/85/40/83/532854083.db2.gz CPIGPDXGZRCGDS-UHFFFAOYSA-N 0 3 396.250 2.405 20 5 GEBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416386529 532874396 /nfs/dbraw/zinc/87/43/96/532874396.db2.gz ICQOYGGAGSJCBS-NSHDSACASA-N 0 3 381.376 2.328 20 5 GEBDHN CN1CCN(C[C@@H]2CCCN(c3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000361812102 532894478 /nfs/dbraw/zinc/89/44/78/532894478.db2.gz JHNMJVDDBWLKSL-ZDUSSCGKSA-N 0 3 398.305 2.216 20 5 GEBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CCN1C1CCN(C)CC1 ZINC000364379917 532906467 /nfs/dbraw/zinc/90/64/67/532906467.db2.gz GWSUTQQRDXOFSG-GFCCVEGCSA-N 0 3 398.305 2.357 20 5 GEBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CCN1C1CCN(C)CC1 ZINC000364379918 532906536 /nfs/dbraw/zinc/90/65/36/532906536.db2.gz GWSUTQQRDXOFSG-LBPRGKRZSA-N 0 3 398.305 2.357 20 5 GEBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000371696835 532949387 /nfs/dbraw/zinc/94/93/87/532949387.db2.gz QGJUMGMIXLFSCP-STQMWFEESA-N 0 3 385.873 2.320 20 5 GEBDHN CC[NH+](CC)[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821180344 599095944 /nfs/dbraw/zinc/09/59/44/599095944.db2.gz BRLQZHJCHUSWCU-CYBMUJFWSA-N 0 3 382.428 2.244 20 5 GEBDHN CC[NH+](CC)[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821180344 599095948 /nfs/dbraw/zinc/09/59/48/599095948.db2.gz BRLQZHJCHUSWCU-CYBMUJFWSA-N 0 3 382.428 2.244 20 5 GEBDHN CC[NH+]1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)CC1 ZINC000821276775 599130638 /nfs/dbraw/zinc/13/06/38/599130638.db2.gz NHSKIBWYIHLVIE-UHFFFAOYSA-N 0 3 395.427 2.055 20 5 GEBDHN C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821625257 599538680 /nfs/dbraw/zinc/53/86/80/599538680.db2.gz JJDYSTJIMSSSHG-IRXDYDNUSA-N 0 3 394.439 2.386 20 5 GEBDHN C[N@H+]1CCC[C@H]1[C@@H]1CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821625257 599538682 /nfs/dbraw/zinc/53/86/82/599538682.db2.gz JJDYSTJIMSSSHG-IRXDYDNUSA-N 0 3 394.439 2.386 20 5 GEBDHN C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821625257 599538684 /nfs/dbraw/zinc/53/86/84/599538684.db2.gz JJDYSTJIMSSSHG-IRXDYDNUSA-N 0 3 394.439 2.386 20 5 GEBDHN C[N@H+]1CCC[C@H]1[C@@H]1CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821625257 599538686 /nfs/dbraw/zinc/53/86/86/599538686.db2.gz JJDYSTJIMSSSHG-IRXDYDNUSA-N 0 3 394.439 2.386 20 5 GEBDHN Cc1nc(N(CC[NH+](C)C)Cc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000822449587 606719908 /nfs/dbraw/zinc/71/99/08/606719908.db2.gz FSPQHSRVANYMNL-UHFFFAOYSA-N 0 3 382.428 2.047 20 5 GEBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CN2CCC1CC2 ZINC000446059277 649969952 /nfs/dbraw/zinc/96/99/52/649969952.db2.gz DVVXCALFTYKCRJ-HNNXBMFYSA-N 0 3 382.258 2.452 20 5 GEBDHN Cc1cnc(N(CC[NH+](C)C)Cc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000822395134 607114921 /nfs/dbraw/zinc/11/49/21/607114921.db2.gz SDBXBOXTYNRUES-UHFFFAOYSA-N 0 3 382.428 2.047 20 5 GEBDHN O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000826498397 608509670 /nfs/dbraw/zinc/50/96/70/608509670.db2.gz SOMSJWDFRZCICW-MSOLQXFVSA-N 0 3 380.408 2.476 20 5 GEBDHN O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000826498397 608509671 /nfs/dbraw/zinc/50/96/71/608509671.db2.gz SOMSJWDFRZCICW-MSOLQXFVSA-N 0 3 380.408 2.476 20 5 GEBDHN C[C@@H](NCCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824584638 608564024 /nfs/dbraw/zinc/56/40/24/608564024.db2.gz CYGWBXCAZLUWFQ-GFCCVEGCSA-N 0 3 381.396 2.454 20 5 GEBDHN CCN1CCN(CCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000162068489 644231194 /nfs/dbraw/zinc/23/11/94/644231194.db2.gz AEFFYVFXIBSAKI-UHFFFAOYSA-N 0 3 399.289 2.115 20 5 GEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCC[NH2+]Cc1cccnc1 ZINC000237768145 645439750 /nfs/dbraw/zinc/43/97/50/645439750.db2.gz JAGNECJSYSSDQE-UHFFFAOYSA-N 0 3 384.845 2.101 20 5 GEBDHN CSCC[C@@H](N)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269054134 646012155 /nfs/dbraw/zinc/01/21/55/646012155.db2.gz RIVLMMKBYKUKFN-SNVBAGLBSA-N 0 3 380.392 2.222 20 5 GEBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000420463228 648418329 /nfs/dbraw/zinc/41/83/29/648418329.db2.gz RGJYELYLQOKLPH-UONOGXRCSA-N 0 3 381.841 2.282 20 5 GEBDHN O=C(CN[C@@H](CO)C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000566766799 651611668 /nfs/dbraw/zinc/61/16/68/651611668.db2.gz GPBIBFSXWZIDMB-AWEZNQCLSA-N 0 3 386.246 2.437 20 5 GEBDHN CCS(=O)(=O)N1CCC(CNCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000758056568 652529626 /nfs/dbraw/zinc/52/96/26/652529626.db2.gz NFWRGUQTJGILKQ-UHFFFAOYSA-N 0 3 375.878 2.400 20 5 GEBDHN CSC1(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CCN(C)CC1 ZINC000598615376 652824797 /nfs/dbraw/zinc/82/47/97/652824797.db2.gz XRCCBPCUCYNPQT-UHFFFAOYSA-N 0 3 387.527 2.317 20 5 GEBDHN CS[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000599721713 652885624 /nfs/dbraw/zinc/88/56/24/652885624.db2.gz QEFRMWRCOHZLDM-RYUDHWBXSA-N 0 3 388.287 2.475 20 5 GEBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000601421277 653093819 /nfs/dbraw/zinc/09/38/19/653093819.db2.gz DLLUGBNDPVZJGV-RNCFNFMXSA-N 0 3 392.275 2.070 20 5 GEBDHN C[NH+]1CCC(O[N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000808024717 653215341 /nfs/dbraw/zinc/21/53/41/653215341.db2.gz OMYCVPLTFLICTN-UHFFFAOYSA-N 0 3 376.182 2.252 20 5 GEBDHN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107624 653462766 /nfs/dbraw/zinc/46/27/66/653462766.db2.gz PJSGNRYXTZEWHJ-JTQLQIEISA-N 0 3 378.834 2.191 20 5 GEBDHN CC(COC(=O)c1sccc1S(=O)(=O)NCc1cccs1)[N+](=O)[O-] ZINC000813110878 653462992 /nfs/dbraw/zinc/46/29/92/653462992.db2.gz LILQKMSVRWFHMX-SECBINFHSA-N 0 3 390.464 2.110 20 5 GEBDHN CC(COC(=O)c1ccc([N+](=O)[O-])cc1I)[N+](=O)[O-] ZINC000813107308 653463039 /nfs/dbraw/zinc/46/30/39/653463039.db2.gz OYBFYCWZXVEHJT-ZCFIWIBFSA-N 0 3 380.094 2.021 20 5 GEBDHN CC(COC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1)[N+](=O)[O-] ZINC000813113559 653463564 /nfs/dbraw/zinc/46/35/64/653463564.db2.gz RPRFDNHSNYUQPC-GWCFXTLKSA-N 0 3 385.214 2.149 20 5 GEBDHN O=[N+]([O-])c1cccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)c1Br ZINC000839481965 653650972 /nfs/dbraw/zinc/65/09/72/653650972.db2.gz VVBFWBCPKZLXID-DZGCQCFKSA-N 0 3 384.274 2.388 20 5 GEBDHN CN(C)C1(CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000782483990 653662351 /nfs/dbraw/zinc/66/23/51/653662351.db2.gz TVJNSVYKLPOZRY-UHFFFAOYSA-N 0 3 392.275 2.120 20 5 GEBDHN NCc1cn([C@@H]2CCCN(Cc3c(Br)cccc3[N+](=O)[O-])C2)nn1 ZINC000841099050 653706338 /nfs/dbraw/zinc/70/63/38/653706338.db2.gz CFIRZAYOZYWKKQ-GFCCVEGCSA-N 0 3 395.261 2.245 20 5 GEBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000867308665 653912890 /nfs/dbraw/zinc/91/28/90/653912890.db2.gz MOIUFNFEQIAVBD-SKDRFNHKSA-N 0 3 392.275 2.070 20 5 GEBDHN CN(CC(=O)N[C@H]1CCCN(C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796186640 653990052 /nfs/dbraw/zinc/99/00/52/653990052.db2.gz OOIIUXBDPXKIND-LBPRGKRZSA-N 0 3 385.262 2.004 20 5 GEBDHN CN(C)CC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC000798470956 654064978 /nfs/dbraw/zinc/06/49/78/654064978.db2.gz UEDWWWRNENBAHE-UHFFFAOYSA-N 0 3 392.275 2.120 20 5 GEBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)C[C@@H]2C1 ZINC000916662166 654103965 /nfs/dbraw/zinc/10/39/65/654103965.db2.gz NAGUMHPXFDQZAS-ZJUUUORDSA-N 0 3 394.280 2.474 20 5 GEBDHN CC(COC(=O)c1cnn(C(C)(C)C)c1I)[N+](=O)[O-] ZINC000893048188 654377893 /nfs/dbraw/zinc/37/78/93/654377893.db2.gz RQYNAGDJPQWKCI-SSDOTTSWSA-N 0 3 381.170 2.065 20 5 GEBDHN CCOCCOCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000922944915 654421192 /nfs/dbraw/zinc/42/11/92/654421192.db2.gz WJQRBSZCWJOUHD-UHFFFAOYSA-N 0 3 394.209 2.342 20 5 GEBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000906441610 654437692 /nfs/dbraw/zinc/43/76/92/654437692.db2.gz NNMVMNUHPDXRRX-ZDUSSCGKSA-N 0 3 398.257 2.340 20 5 GEBDHN O=C(CN1CCCC1)N1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856729305 654487503 /nfs/dbraw/zinc/48/75/03/654487503.db2.gz TUORYRYLIQBRJJ-UHFFFAOYSA-N 0 3 397.273 2.102 20 5 GEBDHN COc1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164909312 721527917 /nfs/dbraw/zinc/52/79/17/721527917.db2.gz RHIKPOAVSLEBJU-ZBFHGGJFSA-N 0 3 388.399 2.479 20 5 GEBDHN CN1CC[C@H](Cn2nnnc2Sc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000131959565 532207828 /nfs/dbraw/zinc/20/78/28/532207828.db2.gz FCSIACRXTFVBQE-VIFPVBQESA-N 0 3 399.274 2.447 20 5 GEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000184300936 532331677 /nfs/dbraw/zinc/33/16/77/532331677.db2.gz IQULFRCAFAROIK-LBPRGKRZSA-N 0 3 399.289 2.113 20 5 GEBDHN CN1C[C@H]2CCN(Cc3cc(I)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590011948 532365682 /nfs/dbraw/zinc/36/56/82/532365682.db2.gz NLKKLRNJLROPDX-RISCZKNCSA-N 0 3 387.221 2.335 20 5 GEBDHN CN1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2Br)CC1(C)C ZINC000282626888 532483454 /nfs/dbraw/zinc/48/34/54/532483454.db2.gz SAWKFGOKSULYKO-UHFFFAOYSA-N 0 3 399.289 2.113 20 5 GEBDHN CC(C)(CCC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000431026816 532504477 /nfs/dbraw/zinc/50/44/77/532504477.db2.gz GKDUQAUCSWFAQO-UHFFFAOYSA-N 0 3 380.264 2.153 20 5 GEBDHN Cc1c(NC(=O)NCCOCCN(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435323467 532613960 /nfs/dbraw/zinc/61/39/60/532613960.db2.gz MUASCKRDMTWYCL-UHFFFAOYSA-N 0 3 389.250 2.365 20 5 GEBDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285308855 532668635 /nfs/dbraw/zinc/66/86/35/532668635.db2.gz VLXIYMCNHZPDKJ-UHFFFAOYSA-N 0 3 379.841 2.350 20 5 GEBDHN C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC[NH2+]C1 ZINC000440858609 532723326 /nfs/dbraw/zinc/72/33/26/532723326.db2.gz LGSHIXOPIYBCEZ-CYBMUJFWSA-N 0 3 392.275 2.025 20 5 GEBDHN COCCN1CC[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501121115 532736902 /nfs/dbraw/zinc/73/69/02/532736902.db2.gz TZKVBFYRZXXWEP-LLVKDONJSA-N 0 3 387.234 2.200 20 5 GEBDHN COCCOCCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000583077387 532763894 /nfs/dbraw/zinc/76/38/94/532763894.db2.gz YFKPLANXZIUABM-UHFFFAOYSA-N 0 3 394.209 2.342 20 5 GEBDHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000414467361 532829536 /nfs/dbraw/zinc/82/95/36/532829536.db2.gz YVONFMLSVXJQKX-RYUDHWBXSA-N 0 3 392.275 2.118 20 5 GEBDHN C[C@H](CC[S@](C)=O)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289472125 532855784 /nfs/dbraw/zinc/85/57/84/532855784.db2.gz JDCHNFTYFQTOHL-HOGDKLEQSA-N 0 3 396.250 2.446 20 5 GEBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@@H]2CC[C@@H](O)C2)c1 ZINC000289594126 532859668 /nfs/dbraw/zinc/85/96/68/532859668.db2.gz ULACFHBPZVAXCP-NOZJJQNGSA-N 0 3 376.194 2.450 20 5 GEBDHN O=[N+]([O-])c1cnc(NC[C@H](c2cccs2)[NH+]2CCCC2)c(-c2nnn[n-]2)c1 ZINC000823651474 599277983 /nfs/dbraw/zinc/27/79/83/599277983.db2.gz LEXWQAOOYCKQCZ-CYBMUJFWSA-N 0 3 386.441 2.480 20 5 GEBDHN O=[N+]([O-])c1cnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000738367971 598502608 /nfs/dbraw/zinc/50/26/08/598502608.db2.gz AEDSSZNQWJLYFM-CQSZACIVSA-N 0 3 386.460 2.262 20 5 GEBDHN O=[N+]([O-])c1cnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000738367971 598502609 /nfs/dbraw/zinc/50/26/09/598502609.db2.gz AEDSSZNQWJLYFM-CQSZACIVSA-N 0 3 386.460 2.262 20 5 GEBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738373698 598675052 /nfs/dbraw/zinc/67/50/52/598675052.db2.gz FUVLZVSDOKICQG-HNNXBMFYSA-N 0 3 394.439 2.146 20 5 GEBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738373698 598675054 /nfs/dbraw/zinc/67/50/54/598675054.db2.gz FUVLZVSDOKICQG-HNNXBMFYSA-N 0 3 394.439 2.146 20 5 GEBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738373698 598675057 /nfs/dbraw/zinc/67/50/57/598675057.db2.gz FUVLZVSDOKICQG-HNNXBMFYSA-N 0 3 394.439 2.146 20 5 GEBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738373698 598675059 /nfs/dbraw/zinc/67/50/59/598675059.db2.gz FUVLZVSDOKICQG-HNNXBMFYSA-N 0 3 394.439 2.146 20 5 GEBDHN CN(CC1CC[NH+](C)CC1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821622143 599526134 /nfs/dbraw/zinc/52/61/34/599526134.db2.gz UANYASFKOKYVNG-UHFFFAOYSA-N 0 3 382.428 2.101 20 5 GEBDHN CN(CC1CC[NH+](C)CC1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821622143 599526138 /nfs/dbraw/zinc/52/61/38/599526138.db2.gz UANYASFKOKYVNG-UHFFFAOYSA-N 0 3 382.428 2.101 20 5 GEBDHN C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)Cc2ccccc2C1 ZINC000821580984 599581905 /nfs/dbraw/zinc/58/19/05/599581905.db2.gz AJRJBLALJPIDGM-UHFFFAOYSA-N 0 3 379.424 2.286 20 5 GEBDHN C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)Cc2ccccc2C1 ZINC000821580984 599581906 /nfs/dbraw/zinc/58/19/06/599581906.db2.gz AJRJBLALJPIDGM-UHFFFAOYSA-N 0 3 379.424 2.286 20 5 GEBDHN CC[N@H+](C)C[C@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821165065 606432604 /nfs/dbraw/zinc/43/26/04/606432604.db2.gz OMZCPNWSWILDRP-GFCCVEGCSA-N 0 3 382.428 2.101 20 5 GEBDHN CC[N@@H+](C)C[C@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821165065 606432605 /nfs/dbraw/zinc/43/26/05/606432605.db2.gz OMZCPNWSWILDRP-GFCCVEGCSA-N 0 3 382.428 2.101 20 5 GEBDHN CC[N@H+](C)C[C@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821165065 606432606 /nfs/dbraw/zinc/43/26/06/606432606.db2.gz OMZCPNWSWILDRP-GFCCVEGCSA-N 0 3 382.428 2.101 20 5 GEBDHN CC[N@@H+](C)C[C@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821165065 606432607 /nfs/dbraw/zinc/43/26/07/606432607.db2.gz OMZCPNWSWILDRP-GFCCVEGCSA-N 0 3 382.428 2.101 20 5 GEBDHN CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820751707 606805620 /nfs/dbraw/zinc/80/56/20/606805620.db2.gz HQYYVGUUUWWKRB-BZNIZROVSA-N 0 3 382.428 2.464 20 5 GEBDHN CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820751707 606805622 /nfs/dbraw/zinc/80/56/22/606805622.db2.gz HQYYVGUUUWWKRB-BZNIZROVSA-N 0 3 382.428 2.464 20 5 GEBDHN CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820751707 606805624 /nfs/dbraw/zinc/80/56/24/606805624.db2.gz HQYYVGUUUWWKRB-BZNIZROVSA-N 0 3 382.428 2.464 20 5 GEBDHN CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820751707 606805626 /nfs/dbraw/zinc/80/56/26/606805626.db2.gz HQYYVGUUUWWKRB-BZNIZROVSA-N 0 3 382.428 2.464 20 5 GEBDHN O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000826498400 608509835 /nfs/dbraw/zinc/50/98/35/608509835.db2.gz SOMSJWDFRZCICW-ZWKOTPCHSA-N 0 3 380.408 2.476 20 5 GEBDHN O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000826498400 608509836 /nfs/dbraw/zinc/50/98/36/608509836.db2.gz SOMSJWDFRZCICW-ZWKOTPCHSA-N 0 3 380.408 2.476 20 5 GEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000449187092 650033721 /nfs/dbraw/zinc/03/37/21/650033721.db2.gz KFFKQRKTDLKTQG-TZMCWYRMSA-N 0 3 384.479 2.012 20 5 GEBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)[C@@H](C)CN1 ZINC000237473747 645433343 /nfs/dbraw/zinc/43/33/43/645433343.db2.gz RMBPIDUXNGJKIQ-BDAKNGLRSA-N 0 3 389.193 2.022 20 5 GEBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)[C@@H](C)CN1 ZINC000237483041 645433399 /nfs/dbraw/zinc/43/33/99/645433399.db2.gz UOUNZFUWCNQKIV-BDAKNGLRSA-N 0 3 389.193 2.022 20 5 GEBDHN CSCC[C@H](N)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269054132 646012002 /nfs/dbraw/zinc/01/20/02/646012002.db2.gz RIVLMMKBYKUKFN-JTQLQIEISA-N 0 3 380.392 2.222 20 5 GEBDHN COCCN1CC[C@@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000269959513 646076673 /nfs/dbraw/zinc/07/66/73/646076673.db2.gz IOWKJSOJFXWEMM-LLVKDONJSA-N 0 3 387.234 2.200 20 5 GEBDHN CS[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000330546900 647345060 /nfs/dbraw/zinc/34/50/60/647345060.db2.gz PWSWOCFCALLLMT-QWHCGFSZSA-N 0 3 388.287 2.475 20 5 GEBDHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2O1 ZINC000363885840 647610256 /nfs/dbraw/zinc/61/02/56/647610256.db2.gz AHCPVDAVNKIQFI-NSHDSACASA-N 0 3 383.451 2.174 20 5 GEBDHN CC(C)N1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000363919337 647612870 /nfs/dbraw/zinc/61/28/70/647612870.db2.gz JQNFANILICHIJK-CYBMUJFWSA-N 0 3 398.305 2.357 20 5 GEBDHN CN1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000378492945 647883027 /nfs/dbraw/zinc/88/30/27/647883027.db2.gz HZRKBTUANMKQTB-XHDPSFHLSA-N 0 3 382.258 2.452 20 5 GEBDHN CC[S@](=O)[C@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000567683831 651634307 /nfs/dbraw/zinc/63/43/07/651634307.db2.gz YQYDOPFMOFJKAS-NYWJGDLRSA-N 0 3 388.511 2.038 20 5 GEBDHN CS[C@H](CO)[C@@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000571452465 651833226 /nfs/dbraw/zinc/83/32/26/651833226.db2.gz QIJOWDPPMMGPPJ-PRHODGIISA-N 0 3 396.250 2.401 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC000599666926 652882972 /nfs/dbraw/zinc/88/29/72/652882972.db2.gz OYCHJRSMIYBFJZ-GJZGRUSLSA-N 0 3 389.239 2.172 20 5 GEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599783721 652889817 /nfs/dbraw/zinc/88/98/17/652889817.db2.gz YNUSDUOQWYHDCV-GFCCVEGCSA-N 0 3 399.289 2.113 20 5 GEBDHN CN(C)CCN(C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])C1CC1 ZINC000807266038 653188426 /nfs/dbraw/zinc/18/84/26/653188426.db2.gz NWMJIDOUINWNHP-UHFFFAOYSA-N 0 3 399.289 2.346 20 5 GEBDHN CCN(CC)CCS(=O)(=O)Oc1c(Br)cccc1[N+](=O)[O-] ZINC000810058610 653320032 /nfs/dbraw/zinc/32/00/32/653320032.db2.gz UQDKPKBNMLXVRB-UHFFFAOYSA-N 0 3 381.248 2.408 20 5 GEBDHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000810091229 653323964 /nfs/dbraw/zinc/32/39/64/653323964.db2.gz LJXBIWXVJLZPBE-SNVBAGLBSA-N 0 3 394.291 2.364 20 5 GEBDHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000810091212 653324064 /nfs/dbraw/zinc/32/40/64/653324064.db2.gz KUUYKJYUQLNUOY-SNVBAGLBSA-N 0 3 394.291 2.364 20 5 GEBDHN O=[N+]([O-])c1cccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1Br ZINC000839481967 653650951 /nfs/dbraw/zinc/65/09/51/653650951.db2.gz VVBFWBCPKZLXID-UKRRQHHQSA-N 0 3 384.274 2.388 20 5 GEBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000784723080 653698966 /nfs/dbraw/zinc/69/89/66/653698966.db2.gz RFFQEZUPUUSHOK-SNVBAGLBSA-N 0 3 394.291 2.366 20 5 GEBDHN C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000842699124 653763592 /nfs/dbraw/zinc/76/35/92/653763592.db2.gz ISBBQGOLQLXZBK-ZJUUUORDSA-N 0 3 392.275 2.024 20 5 GEBDHN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000842892251 653772340 /nfs/dbraw/zinc/77/23/40/653772340.db2.gz AEOYXKKQKGUAPC-JTQLQIEISA-N 0 3 392.275 2.168 20 5 GEBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000790879604 653799901 /nfs/dbraw/zinc/79/99/01/653799901.db2.gz ICKQFMDYPIJSDC-SNVBAGLBSA-N 0 3 394.291 2.366 20 5 GEBDHN CN(C)CCN1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1=O ZINC000844382543 653805685 /nfs/dbraw/zinc/80/56/85/653805685.db2.gz YPDNVIJXPFZXLU-UHFFFAOYSA-N 0 3 375.256 2.107 20 5 GEBDHN CC[NH+](CC)[C@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000795226524 653939974 /nfs/dbraw/zinc/93/99/74/653939974.db2.gz YNEXUSQANJWMCA-SNVBAGLBSA-N 0 3 394.291 2.366 20 5 GEBDHN CN1CCC[C@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC[C@H]21 ZINC000795882891 653974672 /nfs/dbraw/zinc/97/46/72/653974672.db2.gz CCTSZYLNMQYWQR-GXFFZTMASA-N 0 3 391.852 2.492 20 5 GEBDHN CN1CC[C@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)CC[C@@H]21 ZINC000867809892 653991099 /nfs/dbraw/zinc/99/10/99/653991099.db2.gz VDXQMGUAQLTBCM-CABZTGNLSA-N 0 3 377.825 2.102 20 5 GEBDHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000796483039 653998718 /nfs/dbraw/zinc/99/87/18/653998718.db2.gz PKOVQSMUVORXDP-ABAIWWIYSA-N 0 3 375.878 2.446 20 5 GEBDHN CN(C)CCn1nccc1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000919103846 654170770 /nfs/dbraw/zinc/17/07/70/654170770.db2.gz LSBRQFYBFQFNLN-UHFFFAOYSA-N 0 3 396.245 2.045 20 5 GEBDHN CN(CC(=O)N1CCN2CCC1CC2)c1cc(Br)ccc1[N+](=O)[O-] ZINC000803165396 654266668 /nfs/dbraw/zinc/26/66/68/654266668.db2.gz GJVHMNLAUAQPDT-UHFFFAOYSA-N 0 3 397.273 2.100 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cc(Br)ccc2Cl)c1 ZINC000905524759 654363655 /nfs/dbraw/zinc/36/36/55/654363655.db2.gz LFQVEWSTGLGOEL-GFCCVEGCSA-N 0 3 389.637 2.358 20 5 GEBDHN CN(C)CCn1nccc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000908076735 654602629 /nfs/dbraw/zinc/60/26/29/654602629.db2.gz SDUBKKOLBJDZQW-UHFFFAOYSA-N 0 3 382.218 2.368 20 5 GEBDHN O=[N+]([O-])c1cc(Cl)ccc1CCNS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914337960 654846678 /nfs/dbraw/zinc/84/66/78/654846678.db2.gz OSWNTAWVAGIKFG-INIZCTEOSA-N 0 3 387.889 2.196 20 5 GEBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000935779542 654916216 /nfs/dbraw/zinc/91/62/16/654916216.db2.gz ZQJNBCRBCGJJSH-NSHDSACASA-N 0 3 385.262 2.496 20 5 GEBDHN O=[N+]([O-])c1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c2ccccc21 ZINC001164744346 720680870 /nfs/dbraw/zinc/68/08/70/720680870.db2.gz ZKUVMXKMKJJKFK-HUUCEWRRSA-N 0 3 392.419 2.275 20 5 GEBDHN Cc1c(C)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164864081 721099127 /nfs/dbraw/zinc/09/91/27/721099127.db2.gz DZLGFSDOCCKTIE-MSOLQXFVSA-N 0 3 383.452 2.481 20 5 GEBDHN O=[N+]([O-])c1cnn(CCNC[C@@H](O)COc2ccc(Cl)c(Cl)c2)c1 ZINC000591756646 532422057 /nfs/dbraw/zinc/42/20/57/532422057.db2.gz LRLRNAZRWGKCQR-LLVKDONJSA-N 0 3 375.212 2.128 20 5 GEBDHN O=[N+]([O-])c1cnn(CCNC[C@@H](O)COc2cc(Cl)ccc2Cl)c1 ZINC000564853455 532535708 /nfs/dbraw/zinc/53/57/08/532535708.db2.gz FJHRAPCGAYGJKB-GFCCVEGCSA-N 0 3 375.212 2.128 20 5 GEBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440083441 532706778 /nfs/dbraw/zinc/70/67/78/532706778.db2.gz WPDODLGFYCBFPP-JTQLQIEISA-N 0 3 394.291 2.366 20 5 GEBDHN C[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000440358313 532712175 /nfs/dbraw/zinc/71/21/75/532712175.db2.gz NGNGJTVMKZRMMV-UWVGGRQHSA-N 0 3 392.275 2.024 20 5 GEBDHN CC(C)C[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440431267 532714932 /nfs/dbraw/zinc/71/49/32/532714932.db2.gz IGHGFDKPYVYAMB-VIFPVBQESA-N 0 3 380.264 2.009 20 5 GEBDHN COCC[C@](C)(O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289470266 532855726 /nfs/dbraw/zinc/85/57/26/532855726.db2.gz JAUCIMPJXQBRRE-ZDUSSCGKSA-N 0 3 394.209 2.077 20 5 GEBDHN CN(C[C@H](O)CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000289490168 532856567 /nfs/dbraw/zinc/85/65/67/532856567.db2.gz YXODAGVJWCIDBN-LBPRGKRZSA-N 0 3 384.274 2.171 20 5 GEBDHN CSC[C@](C)(O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289481750 532856259 /nfs/dbraw/zinc/85/62/59/532856259.db2.gz KCJOSASQLBDTDO-GFCCVEGCSA-N 0 3 396.250 2.403 20 5 GEBDHN CN1CC[C@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000366482162 532917757 /nfs/dbraw/zinc/91/77/57/532917757.db2.gz MTXSUYSOMHQOOL-INIZCTEOSA-N 0 3 382.258 2.454 20 5 GEBDHN CCOCCC[N@@H+]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000736616302 599063511 /nfs/dbraw/zinc/06/35/11/599063511.db2.gz QVOOWXNZJVKMCI-UKRRQHHQSA-N 0 3 389.460 2.324 20 5 GEBDHN CCOCCC[N@H+]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000736616302 599063514 /nfs/dbraw/zinc/06/35/14/599063514.db2.gz QVOOWXNZJVKMCI-UKRRQHHQSA-N 0 3 389.460 2.324 20 5 GEBDHN CCOCCC[N@@H+]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000736616302 599063516 /nfs/dbraw/zinc/06/35/16/599063516.db2.gz QVOOWXNZJVKMCI-UKRRQHHQSA-N 0 3 389.460 2.324 20 5 GEBDHN CCOCCC[N@H+]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000736616302 599063519 /nfs/dbraw/zinc/06/35/19/599063519.db2.gz QVOOWXNZJVKMCI-UKRRQHHQSA-N 0 3 389.460 2.324 20 5 GEBDHN C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821614510 599081157 /nfs/dbraw/zinc/08/11/57/599081157.db2.gz JCFZIVRTXFXDRJ-MRXNPFEDSA-N 0 3 379.424 2.486 20 5 GEBDHN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821614510 599081159 /nfs/dbraw/zinc/08/11/59/599081159.db2.gz JCFZIVRTXFXDRJ-MRXNPFEDSA-N 0 3 379.424 2.486 20 5 GEBDHN C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821614510 599081161 /nfs/dbraw/zinc/08/11/61/599081161.db2.gz JCFZIVRTXFXDRJ-MRXNPFEDSA-N 0 3 379.424 2.486 20 5 GEBDHN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821614510 599081163 /nfs/dbraw/zinc/08/11/63/599081163.db2.gz JCFZIVRTXFXDRJ-MRXNPFEDSA-N 0 3 379.424 2.486 20 5 GEBDHN CCC[N@H+](C)C[C@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821088657 599093179 /nfs/dbraw/zinc/09/31/79/599093179.db2.gz RJZGAIDMQBMZGT-CYBMUJFWSA-N 0 3 396.455 2.491 20 5 GEBDHN CCC[N@@H+](C)C[C@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821088657 599093182 /nfs/dbraw/zinc/09/31/82/599093182.db2.gz RJZGAIDMQBMZGT-CYBMUJFWSA-N 0 3 396.455 2.491 20 5 GEBDHN CCC[N@H+](C)C[C@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821088657 599093185 /nfs/dbraw/zinc/09/31/85/599093185.db2.gz RJZGAIDMQBMZGT-CYBMUJFWSA-N 0 3 396.455 2.491 20 5 GEBDHN CCC[N@@H+](C)C[C@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821088657 599093188 /nfs/dbraw/zinc/09/31/88/599093188.db2.gz RJZGAIDMQBMZGT-CYBMUJFWSA-N 0 3 396.455 2.491 20 5 GEBDHN CCc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)[NH+](C)C)cc1 ZINC000821482654 599265670 /nfs/dbraw/zinc/26/56/70/599265670.db2.gz UQEPLVUEBIGBNZ-INIZCTEOSA-N 0 3 382.428 2.447 20 5 GEBDHN CCc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)[NH+](C)C)cc1 ZINC000821482654 599265671 /nfs/dbraw/zinc/26/56/71/599265671.db2.gz UQEPLVUEBIGBNZ-INIZCTEOSA-N 0 3 382.428 2.447 20 5 GEBDHN CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1Cc1ccccc1 ZINC000736214663 598246209 /nfs/dbraw/zinc/24/62/09/598246209.db2.gz SYJJNLNEMCYJME-UHFFFAOYSA-N 0 3 394.439 2.271 20 5 GEBDHN CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000736214663 598246210 /nfs/dbraw/zinc/24/62/10/598246210.db2.gz SYJJNLNEMCYJME-UHFFFAOYSA-N 0 3 394.439 2.271 20 5 GEBDHN CC1CC[NH+](C[C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)CC1 ZINC000736275917 598500822 /nfs/dbraw/zinc/50/08/22/598500822.db2.gz LIFZFFRCJQLQKN-AWEZNQCLSA-N 0 3 386.460 2.118 20 5 GEBDHN CC1CC[NH+](C[C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)CC1 ZINC000736275917 598500823 /nfs/dbraw/zinc/50/08/23/598500823.db2.gz LIFZFFRCJQLQKN-AWEZNQCLSA-N 0 3 386.460 2.118 20 5 GEBDHN C[NH+](C)CCN(CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821586020 606224619 /nfs/dbraw/zinc/22/46/19/606224619.db2.gz GBPMYAPOCNSNBF-UHFFFAOYSA-N 0 3 381.440 2.386 20 5 GEBDHN CCN(CC)CC(=O)N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000505590629 650439100 /nfs/dbraw/zinc/43/91/00/650439100.db2.gz ODXQVBGAVZJIDU-UHFFFAOYSA-N 0 3 399.289 2.348 20 5 GEBDHN CNS(=O)(=O)c1ccc(NC[C@@H](c2cccs2)N(C)C)c([N+](=O)[O-])c1 ZINC000015171319 642379169 /nfs/dbraw/zinc/37/91/69/642379169.db2.gz HNWLBAPNYNGRBB-AWEZNQCLSA-N 0 3 384.483 2.279 20 5 GEBDHN C[C@]1(CO)CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000493412666 650793793 /nfs/dbraw/zinc/79/37/93/650793793.db2.gz NLQOFLMAVUBGOX-DZGCQCFKSA-N 0 3 386.246 2.437 20 5 GEBDHN CC[C@@H](C)[N@H+](C)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000109065082 643288772 /nfs/dbraw/zinc/28/87/72/643288772.db2.gz ZFACPPXFWHQRBW-SNVBAGLBSA-N 0 3 394.291 2.366 20 5 GEBDHN CC[C@@H](C)[N@@H+](C)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000109065082 643288773 /nfs/dbraw/zinc/28/87/73/643288773.db2.gz ZFACPPXFWHQRBW-SNVBAGLBSA-N 0 3 394.291 2.366 20 5 GEBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000158150527 644141279 /nfs/dbraw/zinc/14/12/79/644141279.db2.gz AUCYYUDNHRXHGA-LLVKDONJSA-N 0 3 392.275 2.072 20 5 GEBDHN C[C@H]1NCCN(C(=O)c2cc([N+](=O)[O-])ccc2I)[C@@H]1C ZINC000277453098 646423513 /nfs/dbraw/zinc/42/35/13/646423513.db2.gz GPHABGXCWMVCRZ-RKDXNWHRSA-N 0 3 389.193 2.022 20 5 GEBDHN CN(Cc1cc(Br)cs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438832327 648806106 /nfs/dbraw/zinc/80/61/06/648806106.db2.gz UKOFKEDWNARWSH-NSHDSACASA-N 0 3 375.248 2.108 20 5 GEBDHN CC[S@](=O)[C@@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000567683830 651634373 /nfs/dbraw/zinc/63/43/73/651634373.db2.gz YQYDOPFMOFJKAS-CAQPCFEESA-N 0 3 388.511 2.038 20 5 GEBDHN C[C@@H](CCNCc1cc(I)cc([N+](=O)[O-])c1)[S@@](C)=O ZINC000580178428 652368972 /nfs/dbraw/zinc/36/89/72/652368972.db2.gz XTVVGQANQAWUAY-ZRNGKTOUSA-N 0 3 396.250 2.446 20 5 GEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CSc3ccc(Br)cc32)c1 ZINC000582541380 652454617 /nfs/dbraw/zinc/45/46/17/652454617.db2.gz ASDCKMAEIKQZTH-AAEUAGOBSA-N 0 3 399.270 2.351 20 5 GEBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000601422798 653093805 /nfs/dbraw/zinc/09/38/05/653093805.db2.gz ZMEANJVBAOALEH-GXSJLCMTSA-N 0 3 381.376 2.327 20 5 GEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@](C)(CO)c1ccc(Br)cc1 ZINC000602834268 653208525 /nfs/dbraw/zinc/20/85/25/653208525.db2.gz XULBJJFTBVHSCL-OAHLLOKOSA-N 0 3 383.246 2.360 20 5 GEBDHN CCN(CC)CCS(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Br ZINC000810071434 653321274 /nfs/dbraw/zinc/32/12/74/653321274.db2.gz DNQLXJKRRHBDGT-UHFFFAOYSA-N 0 3 381.248 2.408 20 5 GEBDHN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102221 653462860 /nfs/dbraw/zinc/46/28/60/653462860.db2.gz PKBLDUPOZWLLBY-LURJTMIESA-N 0 3 394.121 2.330 20 5 GEBDHN CC(COC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)[N+](=O)[O-] ZINC000813106001 653462984 /nfs/dbraw/zinc/46/29/84/653462984.db2.gz XGJSBLGBVBOITA-ZWNOBZJWSA-N 0 3 385.214 2.262 20 5 GEBDHN C[C@@]1(Br)C[C@@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000893563842 654408341 /nfs/dbraw/zinc/40/83/41/654408341.db2.gz ULHGLCQOFHNZJY-ZWNOBZJWSA-N 0 3 377.260 2.132 20 5 GEBDHN CNC(=O)CN1CCCC12CCN(c1ncc([N+](=O)[O-])c3ccccc31)CC2 ZINC001164686328 719715950 /nfs/dbraw/zinc/71/59/50/719715950.db2.gz ZPBNBJABTYHSQM-UHFFFAOYSA-N 0 3 383.452 2.324 20 5 GEBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164751926 720803570 /nfs/dbraw/zinc/80/35/70/720803570.db2.gz YDFUYZZAGUPLKR-IRXDYDNUSA-N 0 3 392.419 2.275 20 5 GEBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164751923 720803707 /nfs/dbraw/zinc/80/37/07/720803707.db2.gz YDFUYZZAGUPLKR-IAGOWNOFSA-N 0 3 392.419 2.275 20 5 GEBDHN O=[N+]([O-])c1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc2[nH]ccc21 ZINC001164867701 721117323 /nfs/dbraw/zinc/11/73/23/721117323.db2.gz ZPIHOCATUASVIL-JKSUJKDBSA-N 0 3 394.435 2.346 20 5 GEBDHN CCN1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000158186620 531769379 /nfs/dbraw/zinc/76/93/79/531769379.db2.gz QASNQAJCUHUOFM-UHFFFAOYSA-N 0 3 385.262 2.323 20 5 GEBDHN COCCN(C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000131969368 532207784 /nfs/dbraw/zinc/20/77/84/532207784.db2.gz IXSHAEMNELQFEB-UHFFFAOYSA-N 0 3 394.653 2.319 20 5 GEBDHN Cc1nc(C)c([C@H](C)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000180940898 532286420 /nfs/dbraw/zinc/28/64/20/532286420.db2.gz PAVSTMJLXYEORR-JTQLQIEISA-N 0 3 384.483 2.297 20 5 GEBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000590590146 532377638 /nfs/dbraw/zinc/37/76/38/532377638.db2.gz TZEYDUIOYDZEJM-KOLCDFICSA-N 0 3 392.275 2.070 20 5 GEBDHN C[C@H](CCCC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000427933641 532437509 /nfs/dbraw/zinc/43/75/09/532437509.db2.gz RTBIEILNDHBEQU-SECBINFHSA-N 0 3 380.264 2.153 20 5 GEBDHN CN(C)CCn1nnnc1SCc1ccc(Br)cc1[N+](=O)[O-] ZINC000592344634 532450653 /nfs/dbraw/zinc/45/06/53/532450653.db2.gz HLJZBFVZSHMPPR-UHFFFAOYSA-N 0 3 387.263 2.198 20 5 GEBDHN O=C(CN1CCCC1)N1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596112720 532586954 /nfs/dbraw/zinc/58/69/54/532586954.db2.gz SVBLHLQTMANOTF-UHFFFAOYSA-N 0 3 397.273 2.102 20 5 GEBDHN Cc1c(Br)c(N[C@@H](C)CCN2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000472683252 532579739 /nfs/dbraw/zinc/57/97/39/532579739.db2.gz LXKAAKWSVACATR-NSHDSACASA-N 0 3 386.294 2.499 20 5 GEBDHN COc1cnccc1N1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000481046013 532665543 /nfs/dbraw/zinc/66/55/43/532665543.db2.gz XUILGIQXBOMPMK-UHFFFAOYSA-N 0 3 394.229 2.483 20 5 GEBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1F ZINC000285539192 532688976 /nfs/dbraw/zinc/68/89/76/532688976.db2.gz FWSYUXNWWBTJKB-SKDRFNHKSA-N 0 3 387.209 2.405 20 5 GEBDHN O=C(CN[C@@H]1CCC[C@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000502856015 532742513 /nfs/dbraw/zinc/74/25/13/532742513.db2.gz NKTCMGXDQGKOAI-GXFFZTMASA-N 0 3 386.246 2.437 20 5 GEBDHN O=[N+]([O-])c1cc(I)cc(CNCCNc2cnccn2)c1 ZINC000583053645 532762936 /nfs/dbraw/zinc/76/29/36/532762936.db2.gz NAECNGWJYSGLSB-UHFFFAOYSA-N 0 3 399.192 2.191 20 5 GEBDHN Cn1cnc(CCNCc2cc(I)cc([N+](=O)[O-])c2)c1 ZINC000459667882 532797531 /nfs/dbraw/zinc/79/75/31/532797531.db2.gz SRFWSSRAHKYYDC-UHFFFAOYSA-N 0 3 386.193 2.265 20 5 GEBDHN C[C@H](C[S@@](C)=O)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289424147 532854416 /nfs/dbraw/zinc/85/44/16/532854416.db2.gz CXOTVOMYRRUSSZ-NTCNTBNZSA-N 0 3 382.223 2.056 20 5 GEBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@@H]2CC[C@H](O)C2)c1 ZINC000289594133 532859859 /nfs/dbraw/zinc/85/98/59/532859859.db2.gz ULACFHBPZVAXCP-RNCFNFMXSA-N 0 3 376.194 2.450 20 5 GEBDHN CS(=O)(=O)N1CC[C@@H](CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290921226 532892759 /nfs/dbraw/zinc/89/27/59/532892759.db2.gz QOJPFHOYXZDAME-VIFPVBQESA-N 0 3 382.269 2.273 20 5 GEBDHN C[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000364378009 532906509 /nfs/dbraw/zinc/90/65/09/532906509.db2.gz CGSCBDCGMWKTFJ-GFCCVEGCSA-N 0 3 398.305 2.357 20 5 GEBDHN CN1C[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@@H]2C1 ZINC000367718828 532926715 /nfs/dbraw/zinc/92/67/15/532926715.db2.gz GFBAESYHXLKVNF-DTORHVGOSA-N 0 3 380.253 2.084 20 5 GEBDHN CN(C)CCn1nccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000294184671 532936516 /nfs/dbraw/zinc/93/65/16/532936516.db2.gz UAHDRIMFDSLOEQ-UHFFFAOYSA-N 0 3 388.247 2.429 20 5 GEBDHN CN(C)CCn1nccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000294282666 532937605 /nfs/dbraw/zinc/93/76/05/532937605.db2.gz ZWURECPYHQZKCJ-UHFFFAOYSA-N 0 3 382.218 2.368 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(NC[C@H]3CC[N@@H+](C4CC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000738366109 599273316 /nfs/dbraw/zinc/27/33/16/599273316.db2.gz CODYISVNDOGRQX-LLVKDONJSA-N 0 3 380.412 2.219 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(NC[C@H]3CC[N@H+](C4CC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000738366109 599273318 /nfs/dbraw/zinc/27/33/18/599273318.db2.gz CODYISVNDOGRQX-LLVKDONJSA-N 0 3 380.412 2.219 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(NC[C@H]3CC[N@@H+](C4CC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000738366109 599273321 /nfs/dbraw/zinc/27/33/21/599273321.db2.gz CODYISVNDOGRQX-LLVKDONJSA-N 0 3 380.412 2.219 20 5 GEBDHN O=[N+]([O-])c1ccc2nc(NC[C@H]3CC[N@H+](C4CC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000738366109 599273322 /nfs/dbraw/zinc/27/33/22/599273322.db2.gz CODYISVNDOGRQX-LLVKDONJSA-N 0 3 380.412 2.219 20 5 GEBDHN C[NH+](C)CCOc1ccc(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736769925 598797249 /nfs/dbraw/zinc/79/72/49/598797249.db2.gz XJRBFRBSPGWRFA-UHFFFAOYSA-N 0 3 397.439 2.370 20 5 GEBDHN C[NH+](C)CCOc1ccc(CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736769925 598797250 /nfs/dbraw/zinc/79/72/50/598797250.db2.gz XJRBFRBSPGWRFA-UHFFFAOYSA-N 0 3 397.439 2.370 20 5 GEBDHN CC(C)[NH2+][C@@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820137893 599508553 /nfs/dbraw/zinc/50/85/53/599508553.db2.gz PRQQLKKXSKKTAT-GFCCVEGCSA-N 0 3 382.428 2.290 20 5 GEBDHN CC(C)[NH2+][C@@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820137893 599508555 /nfs/dbraw/zinc/50/85/55/599508555.db2.gz PRQQLKKXSKKTAT-GFCCVEGCSA-N 0 3 382.428 2.290 20 5 GEBDHN C[N@@H+]1CCC[C@H]1[C@H]1CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821625255 599539463 /nfs/dbraw/zinc/53/94/63/599539463.db2.gz JJDYSTJIMSSSHG-DLBZAZTESA-N 0 3 394.439 2.386 20 5 GEBDHN C[N@H+]1CCC[C@H]1[C@H]1CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821625255 599539464 /nfs/dbraw/zinc/53/94/64/599539464.db2.gz JJDYSTJIMSSSHG-DLBZAZTESA-N 0 3 394.439 2.386 20 5 GEBDHN C[N@@H+]1CCC[C@H]1[C@H]1CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821625255 599539466 /nfs/dbraw/zinc/53/94/66/599539466.db2.gz JJDYSTJIMSSSHG-DLBZAZTESA-N 0 3 394.439 2.386 20 5 GEBDHN C[N@H+]1CCC[C@H]1[C@H]1CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821625255 599539468 /nfs/dbraw/zinc/53/94/68/599539468.db2.gz JJDYSTJIMSSSHG-DLBZAZTESA-N 0 3 394.439 2.386 20 5 GEBDHN O=[N+]([O-])c1cnc(N2CCC(CCC[NH+]3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000826500541 607734269 /nfs/dbraw/zinc/73/42/69/607734269.db2.gz BNBBNQHANDURIE-UHFFFAOYSA-N 0 3 386.460 2.262 20 5 GEBDHN O=[N+]([O-])c1cnc(N2CCC(CCC[NH+]3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000826500541 607734270 /nfs/dbraw/zinc/73/42/70/607734270.db2.gz BNBBNQHANDURIE-UHFFFAOYSA-N 0 3 386.460 2.262 20 5 GEBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000820226413 606994578 /nfs/dbraw/zinc/99/45/78/606994578.db2.gz VJZJHWNMLABPGY-LBPRGKRZSA-N 0 3 381.396 2.282 20 5 GEBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000820226413 606994580 /nfs/dbraw/zinc/99/45/80/606994580.db2.gz VJZJHWNMLABPGY-LBPRGKRZSA-N 0 3 381.396 2.282 20 5 GEBDHN Cc1cc(N(CC[NH+](C)C)Cc2ccc(-c3nn[n-]n3)cc2)ncc1[N+](=O)[O-] ZINC000822206058 607114700 /nfs/dbraw/zinc/11/47/00/607114700.db2.gz SKAILEIZLRWIHM-UHFFFAOYSA-N 0 3 382.428 2.047 20 5 GEBDHN COc1ccc(C[C@@](C)([NH3+])CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000826191068 607838173 /nfs/dbraw/zinc/83/81/73/607838173.db2.gz WGCGWNPDBPYVHW-GOSISDBHSA-N 0 3 383.412 2.156 20 5 GEBDHN COc1ccc(C[C@@](C)([NH3+])CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000826191068 607838174 /nfs/dbraw/zinc/83/81/74/607838174.db2.gz WGCGWNPDBPYVHW-GOSISDBHSA-N 0 3 383.412 2.156 20 5 GEBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000824384369 608285152 /nfs/dbraw/zinc/28/51/52/608285152.db2.gz BEKBFKIWNIFZLF-NSHDSACASA-N 0 3 399.386 2.421 20 5 GEBDHN CCC[N@@H+]1CC[C@@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825328370 608372804 /nfs/dbraw/zinc/37/28/04/608372804.db2.gz QRZBZVWTZOFJCI-LBPRGKRZSA-N 0 3 382.428 2.467 20 5 GEBDHN CCC[N@H+]1CC[C@@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825328370 608372807 /nfs/dbraw/zinc/37/28/07/608372807.db2.gz QRZBZVWTZOFJCI-LBPRGKRZSA-N 0 3 382.428 2.467 20 5 GEBDHN CCC[N@@H+]1CC[C@@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825328370 608372809 /nfs/dbraw/zinc/37/28/09/608372809.db2.gz QRZBZVWTZOFJCI-LBPRGKRZSA-N 0 3 382.428 2.467 20 5 GEBDHN CCC[N@H+]1CC[C@@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825328370 608372811 /nfs/dbraw/zinc/37/28/11/608372811.db2.gz QRZBZVWTZOFJCI-LBPRGKRZSA-N 0 3 382.428 2.467 20 5 GEBDHN C[C@H](Cn1cccn1)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000501260629 650388593 /nfs/dbraw/zinc/38/85/93/650388593.db2.gz FODGTACTAVYSTN-SNVBAGLBSA-N 0 3 382.218 2.171 20 5 GEBDHN CSc1ccc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008169612 642348954 /nfs/dbraw/zinc/34/89/54/642348954.db2.gz POQKVIVAYYNNAY-UHFFFAOYSA-N 0 3 381.479 2.385 20 5 GEBDHN CS[C@@H](CO)[C@@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000571452455 651833246 /nfs/dbraw/zinc/83/32/46/651833246.db2.gz QIJOWDPPMMGPPJ-PELKAZGASA-N 0 3 396.250 2.401 20 5 GEBDHN CCN(CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000742402649 651987676 /nfs/dbraw/zinc/98/76/76/651987676.db2.gz SSYXITOENTZDRT-UHFFFAOYSA-N 0 3 399.289 2.348 20 5 GEBDHN O=[N+]([O-])c1cc(I)cc(CN(CCO)CC2CC2)c1 ZINC000583593285 652490959 /nfs/dbraw/zinc/49/09/59/652490959.db2.gz STTRNLSHRQJODX-UHFFFAOYSA-N 0 3 376.194 2.404 20 5 GEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)s1 ZINC000595119464 652705981 /nfs/dbraw/zinc/70/59/81/652705981.db2.gz AETXOHGWSAMAHR-CHWSQXEVSA-N 0 3 385.442 2.219 20 5 GEBDHN CS[C@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@@H]1N1CCCC1 ZINC000601145890 652956404 /nfs/dbraw/zinc/95/64/04/652956404.db2.gz VASFGWIBSUDUNY-UWVGGRQHSA-N 0 3 379.408 2.363 20 5 GEBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000601422799 653093714 /nfs/dbraw/zinc/09/37/14/653093714.db2.gz ZMEANJVBAOALEH-KOLCDFICSA-N 0 3 381.376 2.327 20 5 GEBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000601421375 653093764 /nfs/dbraw/zinc/09/37/64/653093764.db2.gz JWOLRQDWYVEGQC-JOYOIKCWSA-N 0 3 392.275 2.070 20 5 GEBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000601421377 653093811 /nfs/dbraw/zinc/09/38/11/653093811.db2.gz JWOLRQDWYVEGQC-SKDRFNHKSA-N 0 3 392.275 2.070 20 5 GEBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000601422801 653094047 /nfs/dbraw/zinc/09/40/47/653094047.db2.gz ZMEANJVBAOALEH-ONGXEEELSA-N 0 3 381.376 2.327 20 5 GEBDHN O=[N+]([O-])c1sc(CNCC2(OCCO)CCOCC2)cc1Br ZINC000602659725 653198985 /nfs/dbraw/zinc/19/89/85/653198985.db2.gz VWXYHTGICCIUFP-UHFFFAOYSA-N 0 3 395.275 2.067 20 5 GEBDHN Cc1cc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)ccc1Br ZINC000813100509 653462304 /nfs/dbraw/zinc/46/23/04/653462304.db2.gz TVEAOMWXFMVSSK-WDEREUQCSA-N 0 3 385.214 2.319 20 5 GEBDHN CC(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)[N+](=O)[O-] ZINC000813103262 653463071 /nfs/dbraw/zinc/46/30/71/653463071.db2.gz ZLACCRWVDMZMOJ-LLVKDONJSA-N 0 3 390.845 2.337 20 5 GEBDHN CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1Cl ZINC000813113670 653463303 /nfs/dbraw/zinc/46/33/03/653463303.db2.gz SIYVAFCAAYRVKZ-SNVBAGLBSA-N 0 3 378.834 2.193 20 5 GEBDHN Cc1c(Br)c(N2CCC(N3CCN(C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000866212531 653788830 /nfs/dbraw/zinc/78/88/30/653788830.db2.gz LJTZGZYMTQHJAT-UHFFFAOYSA-N 0 3 398.305 2.277 20 5 GEBDHN CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c2cnccc21 ZINC000798226847 654055276 /nfs/dbraw/zinc/05/52/76/654055276.db2.gz HBPBYPPVFIEBTJ-UHFFFAOYSA-N 0 3 386.792 2.427 20 5 GEBDHN CCN(C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000855361559 654415039 /nfs/dbraw/zinc/41/50/39/654415039.db2.gz WMERTTCYGXJDDG-ZDUSSCGKSA-N 0 3 399.289 2.346 20 5 GEBDHN O=C(NC[C@H]1CCN1C1CCOCC1)c1cc([N+](=O)[O-])ccc1Br ZINC000906442268 654437661 /nfs/dbraw/zinc/43/76/61/654437661.db2.gz YRAZJKDUFFZNDL-CYBMUJFWSA-N 0 3 398.257 2.340 20 5 GEBDHN CS[C@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C[C@@H]1N(C)C ZINC000935111500 654876368 /nfs/dbraw/zinc/87/63/68/654876368.db2.gz PSPGWXZEACBMRA-UWVGGRQHSA-N 0 3 376.841 2.087 20 5 GEBDHN