smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(C[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C2)CC1 ZINC000365274816 785375788 /nfs/dbraw/zinc/37/57/88/785375788.db2.gz RRDITFQQFLULAI-CQSZACIVSA-N -1 3 362.430 1.400 20 5 FDBDHM Cc1cc(OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000435678287 816133981 /nfs/dbraw/zinc/13/39/81/816133981.db2.gz NXADTSCFKCYMMY-UHFFFAOYSA-N -1 3 368.353 1.779 20 5 FDBDHM Cc1cc(OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000435678287 816133987 /nfs/dbraw/zinc/13/39/87/816133987.db2.gz NXADTSCFKCYMMY-UHFFFAOYSA-N -1 3 368.353 1.779 20 5 FDBDHM O=c1cc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)nc(C2CC2)[n-]1 ZINC000459512171 838773844 /nfs/dbraw/zinc/77/38/44/838773844.db2.gz PORREPPUXPFKBG-UHFFFAOYSA-N -1 3 356.386 1.685 20 5 FDBDHM O=C(c1cc2c(cc1[O-])OCO2)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000436526033 850895254 /nfs/dbraw/zinc/89/52/54/850895254.db2.gz DDKUVBVVPYWWNT-JTQLQIEISA-N -1 3 372.337 1.751 20 5 FDBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1nnc2ccccc2n1 ZINC000438921033 862287853 /nfs/dbraw/zinc/28/78/53/862287853.db2.gz SYMYAEIMMJKAKB-UHFFFAOYSA-N -1 3 361.321 1.997 20 5 FDBDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)[N-]N1C(=O)c2ccccc2C1=O ZINC000912686611 860045279 /nfs/dbraw/zinc/04/52/79/860045279.db2.gz PHPAPHLVNGRTQN-UHFFFAOYSA-N -1 3 354.322 1.602 20 5 FDBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1nnc(C(F)(F)F)[n-]1 ZINC000915295309 875960940 /nfs/dbraw/zinc/96/09/40/875960940.db2.gz RSIZMKKNCPBHDF-UHFFFAOYSA-N -1 3 355.236 1.720 20 5 FDBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1nc(C(F)(F)F)n[n-]1 ZINC000915295309 875960943 /nfs/dbraw/zinc/96/09/43/875960943.db2.gz RSIZMKKNCPBHDF-UHFFFAOYSA-N -1 3 355.236 1.720 20 5 FDBDHM Cc1c(C(=O)N2CCc3c(nc[n-]c3=O)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000273298995 912241552 /nfs/dbraw/zinc/24/15/52/912241552.db2.gz WBIFCPOHGAIRJT-UHFFFAOYSA-N -1 3 373.325 1.814 20 5 FDBDHM CCOC(=O)c1ncc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)[n-]1 ZINC000793959544 938345117 /nfs/dbraw/zinc/34/51/17/938345117.db2.gz MNJCZZNOMNUPCP-UHFFFAOYSA-N -1 3 352.278 1.651 20 5 FDBDHM CCOC(=O)c1nc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c[n-]1 ZINC000793959544 938345119 /nfs/dbraw/zinc/34/51/19/938345119.db2.gz MNJCZZNOMNUPCP-UHFFFAOYSA-N -1 3 352.278 1.651 20 5 FDBDHM CN(CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000814999735 941756589 /nfs/dbraw/zinc/75/65/89/941756589.db2.gz MDRGXWCYMWYQOF-UHFFFAOYSA-N -1 3 351.787 1.760 20 5 FDBDHM CN(OCC(F)(F)F)C(=O)C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000856802560 971402892 /nfs/dbraw/zinc/40/28/92/971402892.db2.gz SMVUIEVHGXNROM-UHFFFAOYSA-N -1 3 352.225 1.867 20 5 FDBDHM COC(=O)c1ccc([N+](=O)[O-])c(CN(CCC(=O)[O-])C2CCOCC2)c1 ZINC001593885651 955744084 /nfs/dbraw/zinc/74/40/84/955744084.db2.gz BEHMHORWYQOOGP-UHFFFAOYSA-N -1 3 366.370 1.837 20 5 FDBDHM COC(=O)c1cc(OS(=O)(=O)c2c(C)n[n-]c2C)ccc1[N+](=O)[O-] ZINC000775472737 968671835 /nfs/dbraw/zinc/67/18/35/968671835.db2.gz NGUXKTDBYVTYAR-UHFFFAOYSA-N -1 3 355.328 1.489 20 5 FDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](O)c1ccccn1 ZINC000775595551 969685666 /nfs/dbraw/zinc/68/56/66/969685666.db2.gz WRVVHVDLGDLVBU-LBPRGKRZSA-N -1 3 357.775 1.655 20 5 FDBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCC(F)F ZINC001194614435 970291240 /nfs/dbraw/zinc/29/12/40/970291240.db2.gz RRMFKJVKJOKVLY-UHFFFAOYSA-N -1 3 352.315 1.705 20 5 FDBDHM NC(=O)c1nc(Br)cnc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814326 974515957 /nfs/dbraw/zinc/51/59/57/974515957.db2.gz GTVQJFQDUKWZAD-UHFFFAOYSA-N -1 3 354.120 1.695 20 5 FDBDHM Cc1cc(S(=O)(=O)[N-][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c(F)cc1[N+](=O)[O-] ZINC000867610805 976503403 /nfs/dbraw/zinc/50/34/03/976503403.db2.gz KHSVQHYEBGKUOV-WIVWZLNMSA-N -1 3 356.375 1.744 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c(Cl)c1 ZINC000867614311 976511645 /nfs/dbraw/zinc/51/16/45/976511645.db2.gz SQRCSEJSTHVHAP-FDEBYTSZSA-N -1 3 358.803 1.950 20 5 FDBDHM COCCn1cc(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)cn1 ZINC000848589999 976923630 /nfs/dbraw/zinc/92/36/30/976923630.db2.gz LBZSKMRYSACISC-UHFFFAOYSA-N -1 3 370.312 1.726 20 5 FDBDHM O=C([N-][C@H]1C[C@H]2CCCCN2C1=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848592707 976928543 /nfs/dbraw/zinc/92/85/43/976928543.db2.gz YCRIKNARDBOGFL-MFKMUULPSA-N -1 3 369.324 1.836 20 5 FDBDHM COc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C(=O)NC2CC2)c1 ZINC000776431323 977426882 /nfs/dbraw/zinc/42/68/82/977426882.db2.gz PXDHTWDPZIRWFD-UHFFFAOYSA-N -1 3 372.337 1.849 20 5 FDBDHM CC[C@H](C)N(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001594968535 982735293 /nfs/dbraw/zinc/73/52/93/982735293.db2.gz PXXFZIOUJTTZSV-JTQLQIEISA-N -1 3 359.404 1.302 20 5 FDBDHM CCOC(=O)CC1(NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCOCC1 ZINC001596594295 984540552 /nfs/dbraw/zinc/54/05/52/984540552.db2.gz NJLQTGAVBZREDE-UHFFFAOYSA-N -1 3 366.370 1.885 20 5 FDBDHM O=[N+]([O-])c1ccc2nc(NCCn3ccnn3)cc(-c3nnn[n-]3)c2c1 ZINC000826499313 986634809 /nfs/dbraw/zinc/63/48/09/986634809.db2.gz DOMYEBVTCPHQNS-UHFFFAOYSA-N -1 3 352.318 1.027 20 5 FDBDHM O=[N+]([O-])c1ccc2nc(NCCn3ccnn3)cc(-c3nn[n-]n3)c2c1 ZINC000826499313 986634816 /nfs/dbraw/zinc/63/48/16/986634816.db2.gz DOMYEBVTCPHQNS-UHFFFAOYSA-N -1 3 352.318 1.027 20 5 FDBDHM CO[C@H](C)C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000190757293 178020835 /nfs/dbraw/zinc/02/08/35/178020835.db2.gz QHSHDRVINVKQGI-SSDOTTSWSA-N -1 3 353.194 1.671 20 5 FDBDHM COc1ccc([N+](=O)[O-])cc1C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000508381644 538931334 /nfs/dbraw/zinc/93/13/34/538931334.db2.gz YTYOZOSKPUJKRZ-UHFFFAOYSA-N -1 3 373.365 1.859 20 5 FDBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2C(=O)NCC[C@H]2C)c1 ZINC000195480047 178265247 /nfs/dbraw/zinc/26/52/47/178265247.db2.gz PPXNIKYMIFDDCU-PRHODGIISA-N -1 3 361.807 1.360 20 5 FDBDHM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCNC1 ZINC000236616395 178277002 /nfs/dbraw/zinc/27/70/02/178277002.db2.gz FBEAWWGOVOXPPU-SECBINFHSA-N -1 3 364.221 1.388 20 5 FDBDHM Cc1c(NC(=O)C[N-]S(=O)(=O)c2ccccc2F)cccc1[N+](=O)[O-] ZINC000514473799 539013423 /nfs/dbraw/zinc/01/34/23/539013423.db2.gz AJKNJMANOZBOAE-UHFFFAOYSA-N -1 3 367.358 1.959 20 5 FDBDHM CCN1CCN([C@H]2CCN(c3cc(C)c([N+](=O)[O-])cc3C(=O)[O-])C2)CC1 ZINC000522003709 539530356 /nfs/dbraw/zinc/53/03/56/539530356.db2.gz KKEXQLPLJNXXPJ-AWEZNQCLSA-N -1 3 362.430 1.818 20 5 FDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1CCN(C(C)=O)CC1 ZINC000264316736 179076026 /nfs/dbraw/zinc/07/60/26/179076026.db2.gz NXAHEQFQYSQVQB-UHFFFAOYSA-N -1 3 371.415 1.140 20 5 FDBDHM COC(=O)CSCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000264370283 179090726 /nfs/dbraw/zinc/09/07/26/179090726.db2.gz HOVVDXWBNVGBLE-UHFFFAOYSA-N -1 3 368.820 1.433 20 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/nfs/dbraw/zinc/39/17/86/180391786.db2.gz RVSKPUKBPHQHMJ-AWEZNQCLSA-N -1 3 358.416 1.277 20 5 FDBDHM CSC[C@@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000269799671 180392350 /nfs/dbraw/zinc/39/23/50/180392350.db2.gz SGAJBPZYWTWOEP-LBPRGKRZSA-N -1 3 368.864 1.949 20 5 FDBDHM CSC[C@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000269799670 180392446 /nfs/dbraw/zinc/39/24/46/180392446.db2.gz SGAJBPZYWTWOEP-GFCCVEGCSA-N -1 3 368.864 1.949 20 5 FDBDHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269807780 180395027 /nfs/dbraw/zinc/39/50/27/180395027.db2.gz QDOBVSSGLJRMFY-LLVKDONJSA-N -1 3 367.221 1.797 20 5 FDBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)[C@@H]1OC ZINC000274137154 181031942 /nfs/dbraw/zinc/03/19/42/181031942.db2.gz WWQLQDOEBXKCCD-QKCSRTOESA-N -1 3 360.388 1.074 20 5 FDBDHM O=C1C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CN1C1CCCCC1 ZINC000532478581 540166230 /nfs/dbraw/zinc/16/62/30/540166230.db2.gz QLUNKAAQXNDTBR-LBPRGKRZSA-N -1 3 367.427 1.807 20 5 FDBDHM CCC(CC)([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(N)=O ZINC000275300396 181283975 /nfs/dbraw/zinc/28/39/75/181283975.db2.gz VMHIMVFOUILGGP-UHFFFAOYSA-N -1 3 363.367 1.065 20 5 FDBDHM CCN(CC)[C@H](C)CNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000479884201 538840165 /nfs/dbraw/zinc/84/01/65/538840165.db2.gz LYCFRENORLHKOQ-SNVBAGLBSA-N -1 3 373.431 1.610 20 5 FDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc(OCCO)cc1 ZINC000533551247 540263027 /nfs/dbraw/zinc/26/30/27/540263027.db2.gz IJOHSCYLTJVHNJ-UHFFFAOYSA-N -1 3 352.368 1.444 20 5 FDBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)c1 ZINC000535830452 540517986 /nfs/dbraw/zinc/51/79/86/540517986.db2.gz DIPVAZPEHSVDHM-AWEZNQCLSA-N -1 3 368.349 1.906 20 5 FDBDHM O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000538816659 540894227 /nfs/dbraw/zinc/89/42/27/540894227.db2.gz WUJOQBISLQLRDU-CQSZACIVSA-N -1 3 354.322 1.598 20 5 FDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCCn1ccnc1 ZINC000539373063 540952349 /nfs/dbraw/zinc/95/23/49/540952349.db2.gz KXAATRMMSYIBJZ-UHFFFAOYSA-N -1 3 354.388 1.559 20 5 FDBDHM Cc1nnc([N-]C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)n1C ZINC000542438876 541405250 /nfs/dbraw/zinc/40/52/50/541405250.db2.gz DHEXGPJAJIHMRO-UHFFFAOYSA-N -1 3 369.341 1.138 20 5 FDBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1nnc(C)o1 ZINC000544130559 541720001 /nfs/dbraw/zinc/72/00/01/541720001.db2.gz WCEZKSSFAYFNGO-SSDOTTSWSA-N -1 3 370.343 1.112 20 5 FDBDHM CCCC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(=O)OC ZINC000544849204 541842248 /nfs/dbraw/zinc/84/22/48/541842248.db2.gz PBNFFDUSSRFVNG-NSHDSACASA-N -1 3 360.388 1.614 20 5 FDBDHM Cn1cc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000282424620 182009391 /nfs/dbraw/zinc/00/93/91/182009391.db2.gz FBDMXTMSBYABGF-CYBMUJFWSA-N -1 3 354.363 1.823 20 5 FDBDHM CCc1ncc(S(=O)(=O)[N-]CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000545891226 542041252 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ZINC000822459823 606268648 /nfs/dbraw/zinc/26/86/48/606268648.db2.gz YALRTZQWECMTNK-UHFFFAOYSA-N -1 3 360.309 1.448 20 5 FDBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000823098041 606520653 /nfs/dbraw/zinc/52/06/53/606520653.db2.gz IHFHBWLHXXQPIM-UHFFFAOYSA-N -1 3 367.369 1.546 20 5 FDBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000823098041 606520656 /nfs/dbraw/zinc/52/06/56/606520656.db2.gz IHFHBWLHXXQPIM-UHFFFAOYSA-N -1 3 367.369 1.546 20 5 FDBDHM O=C(COC(=O)c1cc(-c2nnn[n-]2)cs1)Nc1ccccc1[N+](=O)[O-] ZINC000823027545 606566567 /nfs/dbraw/zinc/56/65/67/606566567.db2.gz WOKMKQPKYRSMOH-UHFFFAOYSA-N -1 3 374.338 1.632 20 5 FDBDHM O=C(COC(=O)c1cc(-c2nn[n-]n2)cs1)Nc1ccccc1[N+](=O)[O-] ZINC000823027545 606566568 /nfs/dbraw/zinc/56/65/68/606566568.db2.gz WOKMKQPKYRSMOH-UHFFFAOYSA-N -1 3 374.338 1.632 20 5 FDBDHM Cc1ncc([N+](=O)[O-])n1Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822471620 606591114 /nfs/dbraw/zinc/59/11/14/606591114.db2.gz 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O=[N+]([O-])c1ccc(N2CC[C@H](Oc3cccnc3)C2)c(-c2nnn[n-]2)c1 ZINC000823639809 606790835 /nfs/dbraw/zinc/79/08/35/606790835.db2.gz HNVZBQKJWXSQOY-ZDUSSCGKSA-N -1 3 353.342 1.828 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CC[C@H](Oc3cccnc3)C2)c(-c2nn[n-]n2)c1 ZINC000823639809 606790836 /nfs/dbraw/zinc/79/08/36/606790836.db2.gz HNVZBQKJWXSQOY-ZDUSSCGKSA-N -1 3 353.342 1.828 20 5 FDBDHM C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820365186 607172828 /nfs/dbraw/zinc/17/28/28/607172828.db2.gz IBQSXMXQRSFGKZ-JTQLQIEISA-N -1 3 371.361 1.032 20 5 FDBDHM C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820365186 607172829 /nfs/dbraw/zinc/17/28/29/607172829.db2.gz IBQSXMXQRSFGKZ-JTQLQIEISA-N -1 3 371.361 1.032 20 5 FDBDHM Cc1ccc(OC[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000826292379 607869447 /nfs/dbraw/zinc/86/94/47/607869447.db2.gz SPPUMULPTLKPLY-CYBMUJFWSA-N -1 3 371.353 1.902 20 5 FDBDHM Cc1ccc(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 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358.289 1.592 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCC1N=NC(=S)N1C1CC1 ZINC000738357074 598628558 /nfs/dbraw/zinc/62/85/58/598628558.db2.gz ACOQEWRZKKURIK-UHFFFAOYSA-N -1 3 373.402 1.645 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCC1N=NC(=S)N1C1CC1 ZINC000738357074 598628560 /nfs/dbraw/zinc/62/85/60/598628560.db2.gz ACOQEWRZKKURIK-UHFFFAOYSA-N -1 3 373.402 1.645 20 5 FDBDHM O=[N+]([O-])c1cnn(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000738374660 598756836 /nfs/dbraw/zinc/75/68/36/598756836.db2.gz RTAYDAFOCUWVJA-UHFFFAOYSA-N -1 3 370.373 1.472 20 5 FDBDHM CCN(CC)C(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736521302 598816740 /nfs/dbraw/zinc/81/67/40/598816740.db2.gz DZNWQBCEXPQGEA-AWEZNQCLSA-N -1 3 359.390 1.612 20 5 FDBDHM CCN(CC)C(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736521302 598816741 /nfs/dbraw/zinc/81/67/41/598816741.db2.gz DZNWQBCEXPQGEA-AWEZNQCLSA-N -1 3 359.390 1.612 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCN(Cc3cccs3)CC2)c(-c2nnn[n-]2)c1 ZINC000823650829 599312918 /nfs/dbraw/zinc/31/29/18/599312918.db2.gz BUMWCIFBRYRFJW-UHFFFAOYSA-N -1 3 372.414 1.554 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCN(Cc3cccs3)CC2)c(-c2nn[n-]n2)c1 ZINC000823650829 599312921 /nfs/dbraw/zinc/31/29/21/599312921.db2.gz BUMWCIFBRYRFJW-UHFFFAOYSA-N -1 3 372.414 1.554 20 5 FDBDHM COC(=O)C(C)(C)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000272572051 674457841 /nfs/dbraw/zinc/45/78/41/674457841.db2.gz WSONFRSGKJTOKT-UHFFFAOYSA-N -1 3 350.780 1.787 20 5 FDBDHM COC(=O)c1cc(NC(=O)c2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1 ZINC000736949883 599346291 /nfs/dbraw/zinc/34/62/91/599346291.db2.gz IBRXJDFXMSYQSI-UHFFFAOYSA-N -1 3 368.309 1.814 20 5 FDBDHM COC(=O)c1cc(NC(=O)c2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1 ZINC000736949883 599346295 /nfs/dbraw/zinc/34/62/95/599346295.db2.gz IBRXJDFXMSYQSI-UHFFFAOYSA-N -1 3 368.309 1.814 20 5 FDBDHM CN(CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000821593816 599629638 /nfs/dbraw/zinc/62/96/38/599629638.db2.gz LHOMRJARYHANSZ-UHFFFAOYSA-N -1 3 359.371 1.911 20 5 FDBDHM CN(CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000821593816 599629639 /nfs/dbraw/zinc/62/96/39/599629639.db2.gz LHOMRJARYHANSZ-UHFFFAOYSA-N -1 3 359.371 1.911 20 5 FDBDHM O=C(CSc1ccc([N+](=O)[O-])cn1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823065732 607466828 /nfs/dbraw/zinc/46/68/28/607466828.db2.gz AOPUYFNRLKGWJB-UHFFFAOYSA-N -1 3 371.382 1.578 20 5 FDBDHM O=C(CSc1ccc([N+](=O)[O-])cn1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823065732 607466830 /nfs/dbraw/zinc/46/68/30/607466830.db2.gz AOPUYFNRLKGWJB-UHFFFAOYSA-N -1 3 371.382 1.578 20 5 FDBDHM O=C(Nc1ncc2cc(-c3nnn[n-]3)ccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000826460710 607468574 /nfs/dbraw/zinc/46/85/74/607468574.db2.gz OKVUCSAELNBEOL-UHFFFAOYSA-N -1 3 362.309 1.970 20 5 FDBDHM O=C(Nc1ncc2cc(-c3nn[n-]n3)ccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000826460710 607468575 /nfs/dbraw/zinc/46/85/75/607468575.db2.gz OKVUCSAELNBEOL-UHFFFAOYSA-N -1 3 362.309 1.970 20 5 FDBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000826499326 607589261 /nfs/dbraw/zinc/58/92/61/607589261.db2.gz FAGGLMYANSJWSS-UHFFFAOYSA-N -1 3 365.302 1.682 20 5 FDBDHM O=[N+]([O-])c1cnc(NC[C@@]2(O)CCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000826500536 607739432 /nfs/dbraw/zinc/73/94/32/607739432.db2.gz BIPVEUOMODFPTR-INIZCTEOSA-N -1 3 353.342 1.416 20 5 FDBDHM O=[N+]([O-])c1cnc(NC[C@@]2(O)CCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000826500536 607739433 /nfs/dbraw/zinc/73/94/33/607739433.db2.gz BIPVEUOMODFPTR-INIZCTEOSA-N -1 3 353.342 1.416 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCC(C3CCOCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000826500720 607739523 /nfs/dbraw/zinc/73/95/23/607739523.db2.gz JRYKGJRFHVZYRS-UHFFFAOYSA-N -1 3 359.390 1.813 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCC(C3CCOCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000826500720 607739524 /nfs/dbraw/zinc/73/95/24/607739524.db2.gz JRYKGJRFHVZYRS-UHFFFAOYSA-N -1 3 359.390 1.813 20 5 FDBDHM CC[S@](=O)[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821447034 606103462 /nfs/dbraw/zinc/10/34/62/606103462.db2.gz HFAMZETVTGUFJN-CFUNISHFSA-N -1 3 365.419 1.662 20 5 FDBDHM CC[S@](=O)[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821447034 606103464 /nfs/dbraw/zinc/10/34/64/606103464.db2.gz HFAMZETVTGUFJN-CFUNISHFSA-N -1 3 365.419 1.662 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CCC(OC[C@H]3CCCO3)CC2)c(-c2nnn[n-]2)c1 ZINC000823640145 606232154 /nfs/dbraw/zinc/23/21/54/606232154.db2.gz VFWJRGIUYIAMAQ-CQSZACIVSA-N -1 3 374.401 1.939 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CCC(OC[C@H]3CCCO3)CC2)c(-c2nn[n-]n2)c1 ZINC000823640145 606232156 /nfs/dbraw/zinc/23/21/56/606232156.db2.gz VFWJRGIUYIAMAQ-CQSZACIVSA-N -1 3 374.401 1.939 20 5 FDBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000823343927 606271201 /nfs/dbraw/zinc/27/12/01/606271201.db2.gz LETFAZZZBPGWSQ-UHFFFAOYSA-N -1 3 372.272 1.895 20 5 FDBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000823343927 606271203 /nfs/dbraw/zinc/27/12/03/606271203.db2.gz LETFAZZZBPGWSQ-UHFFFAOYSA-N -1 3 372.272 1.895 20 5 FDBDHM Cc1cc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000822211482 606378971 /nfs/dbraw/zinc/37/89/71/606378971.db2.gz AOKPAXUISRBGNU-UHFFFAOYSA-N -1 3 361.339 1.851 20 5 FDBDHM Cc1cc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000822211482 606378973 /nfs/dbraw/zinc/37/89/73/606378973.db2.gz AOKPAXUISRBGNU-UHFFFAOYSA-N -1 3 361.339 1.851 20 5 FDBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCN1CCc2sccc2C1 ZINC000823624936 606702113 /nfs/dbraw/zinc/70/21/13/606702113.db2.gz LIFRZJWCAABFCC-UHFFFAOYSA-N -1 3 372.414 1.702 20 5 FDBDHM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCN1CCc2sccc2C1 ZINC000823624936 606702114 /nfs/dbraw/zinc/70/21/14/606702114.db2.gz LIFRZJWCAABFCC-UHFFFAOYSA-N -1 3 372.414 1.702 20 5 FDBDHM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ncccc3F)C2)c(-c2nnn[n-]2)c1 ZINC000823639965 606730810 /nfs/dbraw/zinc/73/08/10/606730810.db2.gz NSPGUAQQMPHWLX-JTQLQIEISA-N -1 3 370.348 2.000 20 5 FDBDHM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ncccc3F)C2)c(-c2nn[n-]n2)c1 ZINC000823639965 606730812 /nfs/dbraw/zinc/73/08/12/606730812.db2.gz NSPGUAQQMPHWLX-JTQLQIEISA-N -1 3 370.348 2.000 20 5 FDBDHM Nc1c(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000822904143 607004106 /nfs/dbraw/zinc/00/41/06/607004106.db2.gz SVWWLHSVERIIRM-UHFFFAOYSA-N -1 3 370.325 1.593 20 5 FDBDHM CC(C)(C)c1nnc(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1N ZINC000819971644 607026945 /nfs/dbraw/zinc/02/69/45/607026945.db2.gz POGYKIUZTMTTMU-UHFFFAOYSA-N -1 3 361.391 1.529 20 5 FDBDHM CC(C)(C)c1nnc(Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1N ZINC000819971644 607026946 /nfs/dbraw/zinc/02/69/46/607026946.db2.gz POGYKIUZTMTTMU-UHFFFAOYSA-N -1 3 361.391 1.529 20 5 FDBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@@]12CCCO2 ZINC000273598793 674552495 /nfs/dbraw/zinc/55/24/95/674552495.db2.gz LHRWKRKWRHWLHZ-ZNMIVQPWSA-N -1 3 374.390 1.739 20 5 FDBDHM O=C(COc1cccc([N+](=O)[O-])c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826418452 607949707 /nfs/dbraw/zinc/94/97/07/607949707.db2.gz HNKCYJVFXFCLAL-UHFFFAOYSA-N -1 3 366.337 1.743 20 5 FDBDHM O=C(COc1cccc([N+](=O)[O-])c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826418452 607949708 /nfs/dbraw/zinc/94/97/08/607949708.db2.gz HNKCYJVFXFCLAL-UHFFFAOYSA-N -1 3 366.337 1.743 20 5 FDBDHM Cc1nn(C)c(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1[N+](=O)[O-] ZINC000826334244 608052571 /nfs/dbraw/zinc/05/25/71/608052571.db2.gz NDGAYEFHJGCFMP-ZDUSSCGKSA-N -1 3 370.373 1.395 20 5 FDBDHM Cc1nn(C)c(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1[N+](=O)[O-] ZINC000826334244 608052572 /nfs/dbraw/zinc/05/25/72/608052572.db2.gz NDGAYEFHJGCFMP-ZDUSSCGKSA-N -1 3 370.373 1.395 20 5 FDBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCN1CC(F)(F)F ZINC000824992905 608100517 /nfs/dbraw/zinc/10/05/17/608100517.db2.gz OGQKCBKTTQDUPK-VIFPVBQESA-N -1 3 371.323 1.848 20 5 FDBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCN1CC(F)(F)F ZINC000824992905 608100518 /nfs/dbraw/zinc/10/05/18/608100518.db2.gz OGQKCBKTTQDUPK-VIFPVBQESA-N -1 3 371.323 1.848 20 5 FDBDHM COC(=O)[C@@H](C)CN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826098988 608381534 /nfs/dbraw/zinc/38/15/34/608381534.db2.gz VGLDAKBIWKYRRK-VIFPVBQESA-N -1 3 371.357 1.568 20 5 FDBDHM COC(=O)[C@@H](C)CN(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826098988 608381536 /nfs/dbraw/zinc/38/15/36/608381536.db2.gz VGLDAKBIWKYRRK-VIFPVBQESA-N -1 3 371.357 1.568 20 5 FDBDHM COc1ccc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)cc1-c1nnn[n-]1 ZINC000826208301 608407483 /nfs/dbraw/zinc/40/74/83/608407483.db2.gz CWDQTGFPPFYDAI-UHFFFAOYSA-N -1 3 362.733 1.647 20 5 FDBDHM COc1ccc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)cc1-c1nn[n-]n1 ZINC000826208301 608407485 /nfs/dbraw/zinc/40/74/85/608407485.db2.gz CWDQTGFPPFYDAI-UHFFFAOYSA-N -1 3 362.733 1.647 20 5 FDBDHM C[C@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824647625 608426289 /nfs/dbraw/zinc/42/62/89/608426289.db2.gz ABGFRHLFFCNTGW-JTQLQIEISA-N -1 3 374.382 1.814 20 5 FDBDHM C[C@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824647625 608426290 /nfs/dbraw/zinc/42/62/90/608426290.db2.gz ABGFRHLFFCNTGW-JTQLQIEISA-N -1 3 374.382 1.814 20 5 FDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826330491 608440237 /nfs/dbraw/zinc/44/02/37/608440237.db2.gz WTFWDGPBBOEPAX-UHFFFAOYSA-N -1 3 358.289 1.974 20 5 FDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826330491 608440238 /nfs/dbraw/zinc/44/02/38/608440238.db2.gz WTFWDGPBBOEPAX-UHFFFAOYSA-N -1 3 358.289 1.974 20 5 FDBDHM O=[N+]([O-])c1ccc(NC[C@H]2COC3(CCOCC3)O2)c(-c2nnn[n-]2)c1 ZINC000826499196 609173590 /nfs/dbraw/zinc/17/35/90/609173590.db2.gz ZKDAGDKWDMQAPB-NSHDSACASA-N -1 3 362.346 1.109 20 5 FDBDHM O=[N+]([O-])c1ccc(NC[C@H]2COC3(CCOCC3)O2)c(-c2nn[n-]n2)c1 ZINC000826499196 609173592 /nfs/dbraw/zinc/17/35/92/609173592.db2.gz ZKDAGDKWDMQAPB-NSHDSACASA-N -1 3 362.346 1.109 20 5 FDBDHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000826473694 609286109 /nfs/dbraw/zinc/28/61/09/609286109.db2.gz JLTKNCCKGCVIAI-UHFFFAOYSA-N -1 3 351.326 1.368 20 5 FDBDHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000826473694 609286110 /nfs/dbraw/zinc/28/61/10/609286110.db2.gz JLTKNCCKGCVIAI-UHFFFAOYSA-N -1 3 351.326 1.368 20 5 FDBDHM Nc1cccc([N+](=O)[O-])c1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000826396251 609349942 /nfs/dbraw/zinc/34/99/42/609349942.db2.gz OKYMLYXZZHRHMV-UHFFFAOYSA-N -1 3 358.289 1.853 20 5 FDBDHM Nc1cccc([N+](=O)[O-])c1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000826396251 609349944 /nfs/dbraw/zinc/34/99/44/609349944.db2.gz OKYMLYXZZHRHMV-UHFFFAOYSA-N -1 3 358.289 1.853 20 5 FDBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(-c2nnn[n-]2)cc1 ZINC000824513750 609439834 /nfs/dbraw/zinc/43/98/34/609439834.db2.gz HPCZMCKKOHTBDX-MRVPVSSYSA-N -1 3 354.330 1.243 20 5 FDBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(-c2nn[n-]n2)cc1 ZINC000824513750 609439836 /nfs/dbraw/zinc/43/98/36/609439836.db2.gz HPCZMCKKOHTBDX-MRVPVSSYSA-N 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181315129 /nfs/dbraw/zinc/31/51/29/181315129.db2.gz QUOXZAFRUXIKJK-LSDHHAIUSA-N -1 3 374.390 1.978 20 5 FDBDHM Cc1nc(C)c(NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000538383625 540850893 /nfs/dbraw/zinc/85/08/93/540850893.db2.gz NWSNYQDCPMPNHO-UHFFFAOYSA-N -1 3 370.412 1.585 20 5 FDBDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543761648 541656450 /nfs/dbraw/zinc/65/64/50/541656450.db2.gz ZLUYOQSIMQQXEY-CHWSQXEVSA-N -1 3 368.459 1.921 20 5 FDBDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1CCCN(C2CCC2)C1 ZINC000543761648 541656457 /nfs/dbraw/zinc/65/64/57/541656457.db2.gz ZLUYOQSIMQQXEY-CHWSQXEVSA-N -1 3 368.459 1.921 20 5 FDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CN(c2ccccc2)C1=O ZINC000544002435 541698756 /nfs/dbraw/zinc/69/87/56/541698756.db2.gz NRRQBIXKSYCVMQ-CYBMUJFWSA-N -1 3 361.379 1.597 20 5 FDBDHM NC(=O)CCSc1ccccc1[N-]C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000544686252 541810200 /nfs/dbraw/zinc/81/02/00/541810200.db2.gz 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FDBDHM CCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000546780596 542224816 /nfs/dbraw/zinc/22/48/16/542224816.db2.gz CZSFMTFIRICWIC-WCQYABFASA-N -1 3 360.388 1.076 20 5 FDBDHM COc1ccc(S(=O)(=O)[N-]c2ccnn2CCN(C)C)cc1[N+](=O)[O-] ZINC000295169535 184041220 /nfs/dbraw/zinc/04/12/20/184041220.db2.gz GCRGYVWZIOFQNK-UHFFFAOYSA-N -1 3 369.403 1.162 20 5 FDBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCOC1(C)C ZINC000295439207 184071328 /nfs/dbraw/zinc/07/13/28/184071328.db2.gz YFITUTLSFKRLIM-LBPRGKRZSA-N -1 3 358.372 1.227 20 5 FDBDHM C[C@@H](CCCCO)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000295746194 184101163 /nfs/dbraw/zinc/10/11/63/184101163.db2.gz NVYLGFSWNBYZFW-JTQLQIEISA-N -1 3 360.388 1.195 20 5 FDBDHM COC(=O)Cc1occc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000549824582 542949515 /nfs/dbraw/zinc/94/95/15/542949515.db2.gz ULRYXOXZSNIMOT-UHFFFAOYSA-N -1 3 370.321 2.546 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)[C@@]2(CO)CCCO2)c(F)c1 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OSIWVFMUEJDCEP-SECBINFHSA-N -1 3 361.807 1.537 20 5 FDBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]C[C@@]1(O)CCc2ccccc21 ZINC000184735033 258383553 /nfs/dbraw/zinc/38/35/53/258383553.db2.gz KZPMLPLWIKINIV-KRWDZBQOSA-N -1 3 362.407 1.848 20 5 FDBDHM C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000281151879 258644242 /nfs/dbraw/zinc/64/42/42/258644242.db2.gz ZVBOAKWRZLORED-SNVBAGLBSA-N -1 3 360.374 1.213 20 5 FDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](CO)c1cccnc1 ZINC000557863668 544356273 /nfs/dbraw/zinc/35/62/73/544356273.db2.gz KQOUWTRJSGZMSJ-NSHDSACASA-N -1 3 371.802 1.698 20 5 FDBDHM CCn1cc(S(=O)(=O)[N-][C@H](C)CN2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000330455487 259145507 /nfs/dbraw/zinc/14/55/07/259145507.db2.gz OASGJVXUBPHPRL-RWMBFGLXSA-N -1 3 373.479 1.456 20 5 FDBDHM COC(=O)[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000330495457 259147650 /nfs/dbraw/zinc/14/76/50/259147650.db2.gz UZTABUQFYCLUSU-NHYWBVRUSA-N -1 3 356.400 1.995 20 5 FDBDHM C[C@@H]1C[C@H]1N1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1=O ZINC000331579159 259205281 /nfs/dbraw/zinc/20/52/81/259205281.db2.gz WIOISJFJFLAYQJ-DVVUODLYSA-N -1 3 373.818 1.536 20 5 FDBDHM CS(=O)(=O)[N-]c1c[nH]nc1[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000374505319 261144411 /nfs/dbraw/zinc/14/44/11/261144411.db2.gz MIOGVVDTTDPTIK-MRVPVSSYSA-N -1 3 372.432 1.530 20 5 FDBDHM Cc1cc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375095703 261267109 /nfs/dbraw/zinc/26/71/09/261267109.db2.gz WTLWRVLRKQNNQF-NSHDSACASA-N -1 3 358.358 1.193 20 5 FDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F)cc1C ZINC000270594874 674235450 /nfs/dbraw/zinc/23/54/50/674235450.db2.gz ZMEMXROJIGPHOM-NSHDSACASA-N -1 3 356.322 1.803 20 5 FDBDHM CC[C@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000270815886 674271404 /nfs/dbraw/zinc/27/14/04/674271404.db2.gz NEJNIRXOEZLMSM-QWRGUYRKSA-N -1 3 356.322 1.716 20 5 FDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1cnn(C)c1C ZINC000026829791 519141538 /nfs/dbraw/zinc/14/15/38/519141538.db2.gz UTTLWIICPLDBIP-VIFPVBQESA-N -1 3 354.388 1.685 20 5 FDBDHM NC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000056003620 521760127 /nfs/dbraw/zinc/76/01/27/521760127.db2.gz FFEIWIOUHOEEQN-ZDUSSCGKSA-N -1 3 369.786 1.753 20 5 FDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(=O)Nc1ccc(F)cc1 ZINC000072074434 522150461 /nfs/dbraw/zinc/15/04/61/522150461.db2.gz ILHGFWQJARVVGB-UHFFFAOYSA-N -1 3 367.358 1.959 20 5 FDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc(Cn2cncn2)cc1 ZINC000054423314 523637773 /nfs/dbraw/zinc/63/77/73/523637773.db2.gz PSUBKKAMCHGTRU-UHFFFAOYSA-N -1 3 373.394 1.713 20 5 FDBDHM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000157316557 524250565 /nfs/dbraw/zinc/25/05/65/524250565.db2.gz XSLZMHDIRAHZET-UHFFFAOYSA-N -1 3 351.384 1.586 20 5 FDBDHM CN(CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000173131120 524330927 /nfs/dbraw/zinc/33/09/27/524330927.db2.gz BTXVONIFDJAICZ-UHFFFAOYSA-N -1 3 367.369 1.528 20 5 FDBDHM CN(CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000173131120 524330934 /nfs/dbraw/zinc/33/09/34/524330934.db2.gz BTXVONIFDJAICZ-UHFFFAOYSA-N -1 3 367.369 1.528 20 5 FDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC(=O)N(C3CC3)C2)cc1C ZINC000175286849 524927138 /nfs/dbraw/zinc/92/71/38/524927138.db2.gz JFXXYUPCVCHRAZ-LLVKDONJSA-N -1 3 353.400 1.253 20 5 FDBDHM Cc1sc(S(=O)(=O)[N-]CCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000124252606 524939877 /nfs/dbraw/zinc/93/98/77/524939877.db2.gz OTTGEIFYKXEVLC-UHFFFAOYSA-N -1 3 363.461 1.090 20 5 FDBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](O)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000161676692 525149020 /nfs/dbraw/zinc/14/90/20/525149020.db2.gz GBNRAQURWVHECT-AWEZNQCLSA-N -1 3 371.459 1.274 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCOC2)c(C(F)(F)F)c1 ZINC000162961614 525342061 /nfs/dbraw/zinc/34/20/61/525342061.db2.gz REOMEVKRUIQFEM-MRVPVSSYSA-N -1 3 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O=C(OCCOc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cn1 ZINC000823410400 606797296 /nfs/dbraw/zinc/79/72/96/606797296.db2.gz VJSYKZKUNNAIMW-UHFFFAOYSA-N -1 3 356.298 1.406 20 5 FDBDHM Cc1nc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000822449814 606813300 /nfs/dbraw/zinc/81/33/00/606813300.db2.gz QCAJVELSWGABGD-UHFFFAOYSA-N -1 3 355.314 1.496 20 5 FDBDHM Cc1nc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000822449814 606813303 /nfs/dbraw/zinc/81/33/03/606813303.db2.gz QCAJVELSWGABGD-UHFFFAOYSA-N -1 3 355.314 1.496 20 5 FDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822459274 606997330 /nfs/dbraw/zinc/99/73/30/606997330.db2.gz PIOBCQWDXSMJBQ-UHFFFAOYSA-N -1 3 361.293 1.162 20 5 FDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822459274 606997331 /nfs/dbraw/zinc/99/73/31/606997331.db2.gz PIOBCQWDXSMJBQ-UHFFFAOYSA-N -1 3 361.293 1.162 20 5 FDBDHM C[C@@H]1[C@H](C)OCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820820379 607029542 /nfs/dbraw/zinc/02/95/42/607029542.db2.gz OGMUCURPMBMNEO-ZJUUUORDSA-N -1 3 355.358 1.937 20 5 FDBDHM C[C@@H]1[C@H](C)OCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820820379 607029544 /nfs/dbraw/zinc/02/95/44/607029544.db2.gz OGMUCURPMBMNEO-ZJUUUORDSA-N -1 3 355.358 1.937 20 5 FDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822472779 607075476 /nfs/dbraw/zinc/07/54/76/607075476.db2.gz ZZIRKUSPQYJFRJ-UHFFFAOYSA-N -1 3 358.289 1.974 20 5 FDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822472779 607075477 /nfs/dbraw/zinc/07/54/77/607075477.db2.gz ZZIRKUSPQYJFRJ-UHFFFAOYSA-N -1 3 358.289 1.974 20 5 FDBDHM Cc1nc(N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)ccc1[N+](=O)[O-] ZINC000822449896 607165997 /nfs/dbraw/zinc/16/59/97/607165997.db2.gz TXVCZYWUAIDVFT-UHFFFAOYSA-N -1 3 367.373 1.200 20 5 FDBDHM Cc1nc(N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)ccc1[N+](=O)[O-] ZINC000822449896 607165998 /nfs/dbraw/zinc/16/59/98/607165998.db2.gz TXVCZYWUAIDVFT-UHFFFAOYSA-N -1 3 367.373 1.200 20 5 FDBDHM O=c1c([N+](=O)[O-])cn(Cc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000823656820 607170211 /nfs/dbraw/zinc/17/02/11/607170211.db2.gz JNTGVHNKVCYMDT-UHFFFAOYSA-N -1 3 361.249 1.032 20 5 FDBDHM O=c1c([N+](=O)[O-])cn(Cc2ccc(F)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000823656820 607170212 /nfs/dbraw/zinc/17/02/12/607170212.db2.gz JNTGVHNKVCYMDT-UHFFFAOYSA-N -1 3 361.249 1.032 20 5 FDBDHM COc1ccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000826211044 607871257 /nfs/dbraw/zinc/87/12/57/607871257.db2.gz NGGYPTPSDHHXMG-AWEZNQCLSA-N -1 3 357.326 1.896 20 5 FDBDHM COc1ccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000826211044 607871258 /nfs/dbraw/zinc/87/12/58/607871258.db2.gz NGGYPTPSDHHXMG-AWEZNQCLSA-N -1 3 357.326 1.896 20 5 FDBDHM CC(C)(C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)n1cc([N+](=O)[O-])cn1 ZINC000824059090 607952237 /nfs/dbraw/zinc/95/22/37/607952237.db2.gz MGSPHCABGKDDLB-UHFFFAOYSA-N -1 3 368.357 1.296 20 5 FDBDHM CC(C)(C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)n1cc([N+](=O)[O-])cn1 ZINC000824059090 607952238 /nfs/dbraw/zinc/95/22/38/607952238.db2.gz MGSPHCABGKDDLB-UHFFFAOYSA-N -1 3 368.357 1.296 20 5 FDBDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000826412809 608008406 /nfs/dbraw/zinc/00/84/06/608008406.db2.gz DXQVDLJFSCABNB-UHFFFAOYSA-N -1 3 367.369 1.546 20 5 FDBDHM Cc1cccc2[nH]c(CNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])nc21 ZINC000826304377 608231162 /nfs/dbraw/zinc/23/11/62/608231162.db2.gz JAQYEEWWEPPMPF-UHFFFAOYSA-N -1 3 351.330 1.967 20 5 FDBDHM Cc1cccc2[nH]c(CNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])nc21 ZINC000826304377 608231164 /nfs/dbraw/zinc/23/11/64/608231164.db2.gz JAQYEEWWEPPMPF-UHFFFAOYSA-N -1 3 351.330 1.967 20 5 FDBDHM O=C(c1n[nH]cc1[N+](=O)[O-])N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826475221 608482744 /nfs/dbraw/zinc/48/27/44/608482744.db2.gz YULRBLDMTRVZAL-UHFFFAOYSA-N -1 3 366.341 1.428 20 5 FDBDHM O=[N+]([O-])c1cnn(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826500993 608489432 /nfs/dbraw/zinc/48/94/32/608489432.db2.gz UYGOCZHUUPDKKR-UHFFFAOYSA-N -1 3 352.358 1.718 20 5 FDBDHM O=[N+]([O-])c1cnn(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826500993 608489433 /nfs/dbraw/zinc/48/94/33/608489433.db2.gz UYGOCZHUUPDKKR-UHFFFAOYSA-N -1 3 352.358 1.718 20 5 FDBDHM C[C@@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824470227 609260801 /nfs/dbraw/zinc/26/08/01/609260801.db2.gz GPBULUHKWZTROG-MEBBXXQBSA-N -1 3 368.353 1.686 20 5 FDBDHM C[C@@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824470227 609260802 /nfs/dbraw/zinc/26/08/02/609260802.db2.gz GPBULUHKWZTROG-MEBBXXQBSA-N -1 3 368.353 1.686 20 5 FDBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CN1c1ccc(F)cc1 ZINC000826478121 609419329 /nfs/dbraw/zinc/41/93/29/609419329.db2.gz USZZTKCSPMEJRT-AWEZNQCLSA-N -1 3 369.316 1.741 20 5 FDBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CN1c1ccc(F)cc1 ZINC000826478121 609419332 /nfs/dbraw/zinc/41/93/32/609419332.db2.gz 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551631861 /nfs/dbraw/zinc/63/18/61/551631861.db2.gz GWSWPTZXWKMOQH-UHFFFAOYSA-N -1 3 372.428 1.251 20 5 FDBDHM O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000590389494 551778955 /nfs/dbraw/zinc/77/89/55/551778955.db2.gz NEYQQAJCYAMFJH-CQSZACIVSA-N -1 3 358.354 1.514 20 5 FDBDHM CN1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000591324264 551861468 /nfs/dbraw/zinc/86/14/68/551861468.db2.gz CIAVSTPIKNLYKI-JTQLQIEISA-N -1 3 367.349 1.986 20 5 FDBDHM NC(=O)Nc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000591583500 551881305 /nfs/dbraw/zinc/88/13/05/551881305.db2.gz LYVCFUMSIAPOCA-UHFFFAOYSA-N -1 3 350.356 1.564 20 5 FDBDHM CC(C)(C)OC(=O)Cn1cc([N-]c2ncc([N+](=O)[O-])cc2C(N)=O)cn1 ZINC000591955397 551920200 /nfs/dbraw/zinc/92/02/00/551920200.db2.gz HYZMIXKMJLJYBU-UHFFFAOYSA-N -1 3 362.346 1.371 20 5 FDBDHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000592949775 552047254 /nfs/dbraw/zinc/04/72/54/552047254.db2.gz 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351.384 1.582 20 5 FDBDHM CC[C@]1([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CCOC1 ZINC000594780252 552381930 /nfs/dbraw/zinc/38/19/30/552381930.db2.gz PBPUGZFBZWHYCG-HNNXBMFYSA-N -1 3 351.384 1.990 20 5 FDBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000594791652 552386315 /nfs/dbraw/zinc/38/63/15/552386315.db2.gz QZRNFAYYJSGKDW-BXKDBHETSA-N -1 3 364.807 1.578 20 5 FDBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@@H](CO)C1CCC1 ZINC000594803860 552390903 /nfs/dbraw/zinc/39/09/03/552390903.db2.gz GWMXRKVXWLRHJZ-ZDUSSCGKSA-N -1 3 351.384 1.582 20 5 FDBDHM CO[C@H](C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000594805380 552391879 /nfs/dbraw/zinc/39/18/79/552391879.db2.gz WQUJAKRHPBWHMC-TZMCWYRMSA-N -1 3 358.416 1.541 20 5 FDBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594830523 552401507 /nfs/dbraw/zinc/40/15/07/552401507.db2.gz RZYROGOYNDPKMJ-XYPYZODXSA-N -1 3 351.384 1.989 20 5 FDBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CC[C@H](C)S(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000594847328 552407188 /nfs/dbraw/zinc/40/71/88/552407188.db2.gz DDLAFGXSWOEGAG-CBAPKCEASA-N -1 3 368.458 1.209 20 5 FDBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCc1ccco1 ZINC000595375368 552540861 /nfs/dbraw/zinc/54/08/61/552540861.db2.gz CRIKCKVNACUHHW-UHFFFAOYSA-N -1 3 368.367 1.886 20 5 FDBDHM O=c1[n-]ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596054269 552650402 /nfs/dbraw/zinc/65/04/02/552650402.db2.gz BXAQZOBIFCMXJU-UHFFFAOYSA-N -1 3 364.383 1.206 20 5 FDBDHM C[C@H](CCNS(=O)(=O)c1ccccc1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596226546 552666341 /nfs/dbraw/zinc/66/63/41/552666341.db2.gz ILFUJPIUGRPUPT-LLVKDONJSA-N -1 3 366.399 1.864 20 5 FDBDHM CC[C@@H]1CC[C@@H](C)N(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000598299657 552884285 /nfs/dbraw/zinc/88/42/85/552884285.db2.gz PYTASYQZLCAIQZ-CHWSQXEVSA-N -1 3 369.443 1.910 20 5 FDBDHM CC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000598624485 552917303 /nfs/dbraw/zinc/91/73/03/552917303.db2.gz DWSSGFCSRJYQIJ-LLVKDONJSA-N -1 3 364.383 1.042 20 5 FDBDHM O=C1CCOC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599441961 553057880 /nfs/dbraw/zinc/05/78/80/553057880.db2.gz MUSXCSGEKQFSER-QMMMGPOBSA-N -1 3 368.289 1.250 20 5 FDBDHM COC(=O)COc1ccc(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000600799148 553315961 /nfs/dbraw/zinc/31/59/61/553315961.db2.gz DLADAFHHOVEQSO-WCQYABFASA-N -1 3 366.370 1.689 20 5 FDBDHM CC(C)(C(=O)[O-])N1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000600872770 553323007 /nfs/dbraw/zinc/32/30/07/553323007.db2.gz DUCYSYFECROIKG-UHFFFAOYSA-N -1 3 374.397 1.557 20 5 FDBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CC2CSC2)c1 ZINC000603385662 553776713 /nfs/dbraw/zinc/77/67/13/553776713.db2.gz FNCXDJQPLNUKJU-UHFFFAOYSA-N -1 3 367.246 1.999 20 5 FDBDHM COc1ccc(S(=O)(=O)[N-]CCOCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000603463429 553791563 /nfs/dbraw/zinc/79/15/63/553791563.db2.gz XKQYBXNMIQFIPU-UHFFFAOYSA-N -1 3 358.294 1.461 20 5 FDBDHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])s1 ZINC000604037540 553837765 /nfs/dbraw/zinc/83/77/65/553837765.db2.gz RZUNTNDRYPBBRP-UHFFFAOYSA-N -1 3 356.381 1.921 20 5 FDBDHM NC(=O)c1ccc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)nc1 ZINC000609093716 554336720 /nfs/dbraw/zinc/33/67/20/554336720.db2.gz JAPZQIBWKFTGCA-UHFFFAOYSA-N -1 3 358.310 1.502 20 5 FDBDHM CC(C)c1nc(S(=O)(=O)[N-]CCNc2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000610469808 554513353 /nfs/dbraw/zinc/51/33/53/554513353.db2.gz WKJKGKSDSLEXPF-UHFFFAOYSA-N -1 3 353.404 1.832 20 5 FDBDHM COC1(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCOCC1 ZINC000610958038 554587727 /nfs/dbraw/zinc/58/77/27/554587727.db2.gz LFRCNAJKUXUCRT-UHFFFAOYSA-N -1 3 358.416 1.686 20 5 FDBDHM COc1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c(OC)n1 ZINC000611226329 554617437 /nfs/dbraw/zinc/61/74/37/554617437.db2.gz FRMPQFHGUMGUCF-UHFFFAOYSA-N -1 3 367.383 1.991 20 5 FDBDHM COC1(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCOCC1 ZINC000616425588 555303273 /nfs/dbraw/zinc/30/32/73/555303273.db2.gz XFLGFCPUFPELRY-UHFFFAOYSA-N -1 3 358.416 1.686 20 5 FDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C)CO[C@H]1CCOC1 ZINC000619490322 555787667 /nfs/dbraw/zinc/78/76/67/555787667.db2.gz QQAQIARWJNVLGA-MNOVXSKESA-N -1 3 360.388 1.076 20 5 FDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](CCO)c1ccco1 ZINC000619497207 555789669 /nfs/dbraw/zinc/78/96/69/555789669.db2.gz RYSJJXWNZZMNLS-SNVBAGLBSA-N -1 3 356.356 1.598 20 5 FDBDHM CC[C@@H]1CCC[C@H]1CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000453000638 568221659 /nfs/dbraw/zinc/22/16/59/568221659.db2.gz OSAYVTICHYIKGG-OLZOCXBDSA-N -1 3 369.443 1.816 20 5 FDBDHM CN(C)C(=O)[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736746230 598945759 /nfs/dbraw/zinc/94/57/59/598945759.db2.gz LMGAGRMWUGYGAO-VXGBXAGGSA-N -1 3 359.390 1.834 20 5 FDBDHM CN(C)C(=O)[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736746230 598945760 /nfs/dbraw/zinc/94/57/60/598945760.db2.gz LMGAGRMWUGYGAO-VXGBXAGGSA-N -1 3 359.390 1.834 20 5 FDBDHM Cc1cc(S(=O)(=O)NCc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000737282947 599018263 /nfs/dbraw/zinc/01/82/63/599018263.db2.gz LUAPCACFNMEYKM-UHFFFAOYSA-N -1 3 374.382 1.562 20 5 FDBDHM Cc1cc(S(=O)(=O)NCc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000737282947 599018265 /nfs/dbraw/zinc/01/82/65/599018265.db2.gz LUAPCACFNMEYKM-UHFFFAOYSA-N -1 3 374.382 1.562 20 5 FDBDHM COC(=O)NCc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736941880 599231673 /nfs/dbraw/zinc/23/16/73/599231673.db2.gz YRADUBOFMMIGLO-UHFFFAOYSA-N -1 3 370.329 1.770 20 5 FDBDHM COC(=O)NCc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736941880 599231674 /nfs/dbraw/zinc/23/16/74/599231674.db2.gz YRADUBOFMMIGLO-UHFFFAOYSA-N -1 3 370.329 1.770 20 5 FDBDHM O=C(Nc1ccncc1-c1nnn[n-]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000738195076 599253739 /nfs/dbraw/zinc/25/37/39/599253739.db2.gz LVIYIWRQQVQALH-UHFFFAOYSA-N -1 3 351.282 1.590 20 5 FDBDHM O=C(Nc1ccncc1-c1nn[n-]n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000738195076 599253741 /nfs/dbraw/zinc/25/37/41/599253741.db2.gz LVIYIWRQQVQALH-UHFFFAOYSA-N -1 3 351.282 1.590 20 5 FDBDHM O=[N+]([O-])c1ccc2nc(NCCN3CCOCC3)cc(-c3nnn[n-]3)c2c1 ZINC000738367623 599254245 /nfs/dbraw/zinc/25/42/45/599254245.db2.gz WNRMNTSGXFXVTM-UHFFFAOYSA-N -1 3 370.373 1.067 20 5 FDBDHM O=[N+]([O-])c1ccc2nc(NCCN3CCOCC3)cc(-c3nn[n-]n3)c2c1 ZINC000738367623 599254248 /nfs/dbraw/zinc/25/42/48/599254248.db2.gz WNRMNTSGXFXVTM-UHFFFAOYSA-N -1 3 370.373 1.067 20 5 FDBDHM Cc1nc(C)n([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)n1 ZINC000737472981 598339736 /nfs/dbraw/zinc/33/97/36/598339736.db2.gz COIXAOUHRPQYBR-CYBMUJFWSA-N -1 3 369.389 1.825 20 5 FDBDHM Cc1nc(C)n([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)n1 ZINC000737472981 598339739 /nfs/dbraw/zinc/33/97/39/598339739.db2.gz COIXAOUHRPQYBR-CYBMUJFWSA-N -1 3 369.389 1.825 20 5 FDBDHM O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738361681 598370470 /nfs/dbraw/zinc/37/04/70/598370470.db2.gz XYFPUJMBWYTQSI-UHFFFAOYSA-N -1 3 365.302 1.682 20 5 FDBDHM O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738361681 598370472 /nfs/dbraw/zinc/37/04/72/598370472.db2.gz XYFPUJMBWYTQSI-UHFFFAOYSA-N -1 3 365.302 1.682 20 5 FDBDHM COC(=O)c1ccc2c(c1)CN(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC000736948771 598387478 /nfs/dbraw/zinc/38/74/78/598387478.db2.gz PKJHVVLNWNEJAV-UHFFFAOYSA-N -1 3 367.325 1.477 20 5 FDBDHM COC(=O)c1ccc2c(c1)CN(c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC000736948771 598387480 /nfs/dbraw/zinc/38/74/80/598387480.db2.gz PKJHVVLNWNEJAV-UHFFFAOYSA-N -1 3 367.325 1.477 20 5 FDBDHM O=[N+]([O-])c1cnc(Nc2ccc(N3CCCC3)nc2)c(-c2nnn[n-]2)c1 ZINC000738374441 598498722 /nfs/dbraw/zinc/49/87/22/598498722.db2.gz ONAUBAMOHQQLAU-UHFFFAOYSA-N -1 3 353.346 1.909 20 5 FDBDHM O=[N+]([O-])c1cnc(Nc2ccc(N3CCCC3)nc2)c(-c2nn[n-]n2)c1 ZINC000738374441 598498724 /nfs/dbraw/zinc/49/87/24/598498724.db2.gz ONAUBAMOHQQLAU-UHFFFAOYSA-N -1 3 353.346 1.909 20 5 FDBDHM Cn1nccc1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737628967 598499079 /nfs/dbraw/zinc/49/90/79/598499079.db2.gz SXCIKQDGZUNSKO-JTQLQIEISA-N -1 3 355.362 1.287 20 5 FDBDHM Cn1nccc1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737628967 598499081 /nfs/dbraw/zinc/49/90/81/598499081.db2.gz SXCIKQDGZUNSKO-JTQLQIEISA-N -1 3 355.362 1.287 20 5 FDBDHM CC(C)CC(=O)N1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000735759988 598499929 /nfs/dbraw/zinc/49/99/29/598499929.db2.gz YPDTYBUIRZLDEL-UHFFFAOYSA-N -1 3 374.405 1.619 20 5 FDBDHM CC(C)CC(=O)N1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000735759988 598499930 /nfs/dbraw/zinc/49/99/30/598499930.db2.gz YPDTYBUIRZLDEL-UHFFFAOYSA-N -1 3 374.405 1.619 20 5 FDBDHM CCn1cnnc1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736722632 598500835 /nfs/dbraw/zinc/50/08/35/598500835.db2.gz PINZRNXYEUWQOG-JTQLQIEISA-N -1 3 370.377 1.165 20 5 FDBDHM CCn1cnnc1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736722632 598500836 /nfs/dbraw/zinc/50/08/36/598500836.db2.gz PINZRNXYEUWQOG-JTQLQIEISA-N -1 3 370.377 1.165 20 5 FDBDHM Nc1nc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)ncc1[N+](=O)[O-] ZINC000737777614 598551896 /nfs/dbraw/zinc/55/18/96/598551896.db2.gz ZXUVKELSICPTBD-UHFFFAOYSA-N -1 3 353.346 1.316 20 5 FDBDHM Nc1nc(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)ncc1[N+](=O)[O-] ZINC000737777614 598551897 /nfs/dbraw/zinc/55/18/97/598551897.db2.gz ZXUVKELSICPTBD-UHFFFAOYSA-N -1 3 353.346 1.316 20 5 FDBDHM O=C(OCCNc1ncccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000738222299 598737736 /nfs/dbraw/zinc/73/77/36/598737736.db2.gz DVUWNZFCENHAKI-UHFFFAOYSA-N -1 3 355.314 1.439 20 5 FDBDHM O=C(OCCNc1ncccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000738222299 598737737 /nfs/dbraw/zinc/73/77/37/598737737.db2.gz DVUWNZFCENHAKI-UHFFFAOYSA-N -1 3 355.314 1.439 20 5 FDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737486122 599310850 /nfs/dbraw/zinc/31/08/50/599310850.db2.gz ASPDBPDKXHCQAW-UHFFFAOYSA-N -1 3 356.346 1.333 20 5 FDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737486122 599310853 /nfs/dbraw/zinc/31/08/53/599310853.db2.gz ASPDBPDKXHCQAW-UHFFFAOYSA-N -1 3 356.346 1.333 20 5 FDBDHM CN(CCOc1ccc(F)cc1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821604822 599361564 /nfs/dbraw/zinc/36/15/64/599361564.db2.gz IDXZIINVQNMIIL-UHFFFAOYSA-N -1 3 359.321 1.824 20 5 FDBDHM CN(CCOc1ccc(F)cc1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821604822 599361567 /nfs/dbraw/zinc/36/15/67/599361567.db2.gz IDXZIINVQNMIIL-UHFFFAOYSA-N -1 3 359.321 1.824 20 5 FDBDHM C[C@@](O)(CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000820468328 599552067 /nfs/dbraw/zinc/55/20/67/599552067.db2.gz UDDFHBIZUGGMPA-MRXNPFEDSA-N -1 3 355.358 1.896 20 5 FDBDHM C[C@@](O)(CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000820468328 599552069 /nfs/dbraw/zinc/55/20/69/599552069.db2.gz UDDFHBIZUGGMPA-MRXNPFEDSA-N -1 3 355.358 1.896 20 5 FDBDHM CC(C)Oc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1-c1nnn[n-]1 ZINC000820166289 607406967 /nfs/dbraw/zinc/40/69/67/607406967.db2.gz VMVMXDSMQXNFBI-UHFFFAOYSA-N -1 3 372.345 1.397 20 5 FDBDHM CC(C)Oc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1-c1nn[n-]n1 ZINC000820166289 607406969 /nfs/dbraw/zinc/40/69/69/607406969.db2.gz VMVMXDSMQXNFBI-UHFFFAOYSA-N -1 3 372.345 1.397 20 5 FDBDHM C[C@H](O)[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000824689046 607561366 /nfs/dbraw/zinc/56/13/66/607561366.db2.gz JSTROKIADGHVSW-WDEREUQCSA-N -1 3 369.385 1.920 20 5 FDBDHM C[C@H](O)[C@@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000824689046 607561367 /nfs/dbraw/zinc/56/13/67/607561367.db2.gz JSTROKIADGHVSW-WDEREUQCSA-N -1 3 369.385 1.920 20 5 FDBDHM C[C@@H](NC(=O)[O-])C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000739024480 602451271 /nfs/dbraw/zinc/45/12/71/602451271.db2.gz ILGVUXRNVNWBDM-DOMZBBRYSA-N -1 3 367.402 1.703 20 5 FDBDHM 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O=[N+]([O-])c1ccc(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000738371724 599266138 /nfs/dbraw/zinc/26/61/38/599266138.db2.gz XLGNFGQRCOUKHQ-UHFFFAOYSA-N -1 3 367.373 1.646 20 5 FDBDHM O=[N+]([O-])c1ccc(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000738371724 599266140 /nfs/dbraw/zinc/26/61/40/599266140.db2.gz XLGNFGQRCOUKHQ-UHFFFAOYSA-N -1 3 367.373 1.646 20 5 FDBDHM CC(C)NC(=O)CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000735884329 599266575 /nfs/dbraw/zinc/26/65/75/599266575.db2.gz KJWOOBJTHOBIMK-UHFFFAOYSA-N -1 3 370.373 1.650 20 5 FDBDHM CC(C)NC(=O)CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000735884329 599266577 /nfs/dbraw/zinc/26/65/77/599266577.db2.gz KJWOOBJTHOBIMK-UHFFFAOYSA-N -1 3 370.373 1.650 20 5 FDBDHM O=[N+]([O-])c1cnc(NCCOc2ccc(F)cc2F)c(-c2nnn[n-]2)c1 ZINC000738373463 598387071 /nfs/dbraw/zinc/38/70/71/598387071.db2.gz DDHWNKKIQPJPQQ-UHFFFAOYSA-N -1 3 363.284 1.939 20 5 FDBDHM O=[N+]([O-])c1cnc(NCCOc2ccc(F)cc2F)c(-c2nn[n-]n2)c1 ZINC000738373463 598387072 /nfs/dbraw/zinc/38/70/72/598387072.db2.gz DDHWNKKIQPJPQQ-UHFFFAOYSA-N -1 3 363.284 1.939 20 5 FDBDHM COc1ccc(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000520352847 598493928 /nfs/dbraw/zinc/49/39/28/598493928.db2.gz INDYYPTWDAQIIK-UHFFFAOYSA-N -1 3 368.353 1.642 20 5 FDBDHM COc1ccc(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000520352847 598493929 /nfs/dbraw/zinc/49/39/29/598493929.db2.gz INDYYPTWDAQIIK-UHFFFAOYSA-N -1 3 368.353 1.642 20 5 FDBDHM Cc1nccc([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)n1 ZINC000737502586 598499368 /nfs/dbraw/zinc/49/93/68/598499368.db2.gz XTEMDVRFJLGXER-LLVKDONJSA-N -1 3 367.373 1.652 20 5 FDBDHM Cc1nccc([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)n1 ZINC000737502586 598499369 /nfs/dbraw/zinc/49/93/69/598499369.db2.gz XTEMDVRFJLGXER-LLVKDONJSA-N -1 3 367.373 1.652 20 5 FDBDHM CCc1nccn1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736705481 598501887 /nfs/dbraw/zinc/50/18/87/598501887.db2.gz JBWANKKZHFGCSL-LLVKDONJSA-N -1 3 369.389 1.770 20 5 FDBDHM CCc1nccn1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736705481 598501889 /nfs/dbraw/zinc/50/18/89/598501889.db2.gz JBWANKKZHFGCSL-LLVKDONJSA-N -1 3 369.389 1.770 20 5 FDBDHM Cc1nccn1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737497971 598502549 /nfs/dbraw/zinc/50/25/49/598502549.db2.gz BSVXGSKTCITEFZ-LLVKDONJSA-N -1 3 355.362 1.516 20 5 FDBDHM Cc1nccn1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737497971 598502550 /nfs/dbraw/zinc/50/25/50/598502550.db2.gz BSVXGSKTCITEFZ-LLVKDONJSA-N -1 3 355.362 1.516 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCC(Cn3cccn3)CC2)c(-c2nnn[n-]2)c1 ZINC000738369799 598502999 /nfs/dbraw/zinc/50/29/99/598502999.db2.gz OWFBMOIAELPZDJ-UHFFFAOYSA-N -1 3 355.362 1.283 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCC(Cn3cccn3)CC2)c(-c2nn[n-]n2)c1 ZINC000738369799 598503001 /nfs/dbraw/zinc/50/30/01/598503001.db2.gz OWFBMOIAELPZDJ-UHFFFAOYSA-N -1 3 355.362 1.283 20 5 FDBDHM O=[N+]([O-])c1cccc(CNS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738366703 598507795 /nfs/dbraw/zinc/50/77/95/598507795.db2.gz HXQOQUDBVQOHFZ-UHFFFAOYSA-N -1 3 374.382 1.395 20 5 FDBDHM O=[N+]([O-])c1cccc(CNS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738366703 598507797 /nfs/dbraw/zinc/50/77/97/598507797.db2.gz HXQOQUDBVQOHFZ-UHFFFAOYSA-N -1 3 374.382 1.395 20 5 FDBDHM O=[N+]([O-])c1ccccc1NCCNc1nc2ccccn2c1-c1nnn[n-]1 ZINC000738370964 598566675 /nfs/dbraw/zinc/56/66/75/598566675.db2.gz YYIHAEWFAYGMLO-UHFFFAOYSA-N -1 3 365.357 1.947 20 5 FDBDHM O=[N+]([O-])c1ccccc1NCCNc1nc2ccccn2c1-c1nn[n-]n1 ZINC000738370964 598566676 /nfs/dbraw/zinc/56/66/76/598566676.db2.gz YYIHAEWFAYGMLO-UHFFFAOYSA-N -1 3 365.357 1.947 20 5 FDBDHM O=C1[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCN1c1ccccc1 ZINC000738296740 598594715 /nfs/dbraw/zinc/59/47/15/598594715.db2.gz NIBOQILJDUUNSV-AWEZNQCLSA-N -1 3 365.353 1.992 20 5 FDBDHM O=C1[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCN1c1ccccc1 ZINC000738296740 598594716 /nfs/dbraw/zinc/59/47/16/598594716.db2.gz NIBOQILJDUUNSV-AWEZNQCLSA-N -1 3 365.353 1.992 20 5 FDBDHM Cn1c(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826355054 607362521 /nfs/dbraw/zinc/36/25/21/607362521.db2.gz ICODHDARNOJJAJ-UHFFFAOYSA-N -1 3 356.298 1.153 20 5 FDBDHM Cn1c(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826355054 607362523 /nfs/dbraw/zinc/36/25/23/607362523.db2.gz ICODHDARNOJJAJ-UHFFFAOYSA-N -1 3 356.298 1.153 20 5 FDBDHM CC(C)(C)S(=O)(=O)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735642589 598816896 /nfs/dbraw/zinc/81/68/96/598816896.db2.gz DJJDZMDWJZQULF-UHFFFAOYSA-N -1 3 354.392 1.400 20 5 FDBDHM CC(C)(C)S(=O)(=O)CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735642589 598816898 /nfs/dbraw/zinc/81/68/98/598816898.db2.gz DJJDZMDWJZQULF-UHFFFAOYSA-N -1 3 354.392 1.400 20 5 FDBDHM CN(Cc1ccc2c(c1)OCO2)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821612114 599315523 /nfs/dbraw/zinc/31/55/23/599315523.db2.gz JGDKNRJHYNEPNQ-UHFFFAOYSA-N -1 3 355.314 1.535 20 5 FDBDHM CN(Cc1ccc2c(c1)OCO2)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821612114 599315526 /nfs/dbraw/zinc/31/55/26/599315526.db2.gz JGDKNRJHYNEPNQ-UHFFFAOYSA-N -1 3 355.314 1.535 20 5 FDBDHM COc1ccc(OCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821845389 599318832 /nfs/dbraw/zinc/31/88/32/599318832.db2.gz FLXUEPYPBRHHTO-UHFFFAOYSA-N -1 3 357.330 1.669 20 5 FDBDHM COc1ccc(OCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821845389 599318835 /nfs/dbraw/zinc/31/88/35/599318835.db2.gz FLXUEPYPBRHHTO-UHFFFAOYSA-N -1 3 357.330 1.669 20 5 FDBDHM C[C@@H]1Oc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2NC1=O ZINC000820821282 599369467 /nfs/dbraw/zinc/36/94/67/599369467.db2.gz SANVFDYTUMVOGJ-ZETCQYMHSA-N -1 3 368.313 1.633 20 5 FDBDHM C[C@@H]1Oc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2NC1=O ZINC000820821282 599369469 /nfs/dbraw/zinc/36/94/69/599369469.db2.gz SANVFDYTUMVOGJ-ZETCQYMHSA-N -1 3 368.313 1.633 20 5 FDBDHM O=C(COC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000826416324 607380647 /nfs/dbraw/zinc/38/06/47/607380647.db2.gz TWDDLTRPSKDXMA-UHFFFAOYSA-N -1 3 371.284 1.954 20 5 FDBDHM O=C(COC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000826416324 607380649 /nfs/dbraw/zinc/38/06/49/607380649.db2.gz TWDDLTRPSKDXMA-UHFFFAOYSA-N -1 3 371.284 1.954 20 5 FDBDHM O=C(NCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000823201256 599498666 /nfs/dbraw/zinc/49/86/66/599498666.db2.gz FPEWSQWTSGPZPO-UHFFFAOYSA-N -1 3 368.357 1.261 20 5 FDBDHM O=C(NCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000823201256 599498668 /nfs/dbraw/zinc/49/86/68/599498668.db2.gz FPEWSQWTSGPZPO-UHFFFAOYSA-N -1 3 368.357 1.261 20 5 FDBDHM O=[N+]([O-])c1ccc2nc(NCC3(O)CCOCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645480 599526990 /nfs/dbraw/zinc/52/69/90/599526990.db2.gz QWTIZDCHPKHHEN-UHFFFAOYSA-N -1 3 371.357 1.277 20 5 FDBDHM O=[N+]([O-])c1ccc2nc(NCC3(O)CCOCC3)cc(-c3nn[n-]n3)c2c1 ZINC000823645480 599526992 /nfs/dbraw/zinc/52/69/92/599526992.db2.gz QWTIZDCHPKHHEN-UHFFFAOYSA-N -1 3 371.357 1.277 20 5 FDBDHM Cc1cnn(CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000822403758 599536842 /nfs/dbraw/zinc/53/68/42/599536842.db2.gz TWPDLPZSTDQNHN-UHFFFAOYSA-N -1 3 365.357 1.940 20 5 FDBDHM Cc1cnn(CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000822403758 599536844 /nfs/dbraw/zinc/53/68/44/599536844.db2.gz TWPDLPZSTDQNHN-UHFFFAOYSA-N -1 3 365.357 1.940 20 5 FDBDHM O=[N+]([O-])c1cc(Cl)cnc1NCCNc1ncccc1-c1nnn[n-]1 ZINC000823634455 607383260 /nfs/dbraw/zinc/38/32/60/607383260.db2.gz FYUNIERWFGZULC-UHFFFAOYSA-N -1 3 361.753 1.742 20 5 FDBDHM O=[N+]([O-])c1cc(Cl)cnc1NCCNc1ncccc1-c1nn[n-]n1 ZINC000823634455 607383262 /nfs/dbraw/zinc/38/32/62/607383262.db2.gz FYUNIERWFGZULC-UHFFFAOYSA-N -1 3 361.753 1.742 20 5 FDBDHM O=[N+]([O-])c1ccc2nc(N[C@@H](CCO)C3CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645217 599571807 /nfs/dbraw/zinc/57/18/07/599571807.db2.gz PXXVLZHLCYFYSQ-ZDUSSCGKSA-N -1 3 355.358 1.896 20 5 FDBDHM O=[N+]([O-])c1ccc2nc(N[C@@H](CCO)C3CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823645217 599571808 /nfs/dbraw/zinc/57/18/08/599571808.db2.gz PXXVLZHLCYFYSQ-ZDUSSCGKSA-N -1 3 355.358 1.896 20 5 FDBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000826428327 607424620 /nfs/dbraw/zinc/42/46/20/607424620.db2.gz YMBXKCFVJNWAHE-UHFFFAOYSA-N -1 3 351.326 1.589 20 5 FDBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000826428327 607424622 /nfs/dbraw/zinc/42/46/22/607424622.db2.gz YMBXKCFVJNWAHE-UHFFFAOYSA-N -1 3 351.326 1.589 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCCO3)CC2)cc1-c1nnn[n-]1 ZINC000826498902 607450932 /nfs/dbraw/zinc/45/09/32/607450932.db2.gz NYCHTJVYCRVTJD-CYBMUJFWSA-N -1 3 359.390 1.076 20 5 FDBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000826248417 607649898 /nfs/dbraw/zinc/64/98/98/607649898.db2.gz IPJUMMNYPIRWRX-UHFFFAOYSA-N -1 3 367.369 1.925 20 5 FDBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000826248417 607649900 /nfs/dbraw/zinc/64/99/00/607649900.db2.gz IPJUMMNYPIRWRX-UHFFFAOYSA-N -1 3 367.369 1.925 20 5 FDBDHM O=C([O-])N1CC[C@@H](N(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000834083455 605779329 /nfs/dbraw/zinc/77/93/29/605779329.db2.gz PHQUYPYAQZHZIO-HUUCEWRRSA-N -1 3 365.386 1.551 20 5 FDBDHM CC(C)(C)OC(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000819923220 606100869 /nfs/dbraw/zinc/10/08/69/606100869.db2.gz VPTXSZFHXALJKJ-JTQLQIEISA-N -1 3 360.374 1.943 20 5 FDBDHM CC(C)(C)OC(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000819923220 606100873 /nfs/dbraw/zinc/10/08/73/606100873.db2.gz VPTXSZFHXALJKJ-JTQLQIEISA-N -1 3 360.374 1.943 20 5 FDBDHM Cc1ccccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822366821 606144314 /nfs/dbraw/zinc/14/43/14/606144314.db2.gz UTBIHHAPTCQTAD-UHFFFAOYSA-N -1 3 361.339 1.851 20 5 FDBDHM Cc1ccccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822366821 606144315 /nfs/dbraw/zinc/14/43/15/606144315.db2.gz UTBIHHAPTCQTAD-UHFFFAOYSA-N -1 3 361.339 1.851 20 5 FDBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821845144 606232654 /nfs/dbraw/zinc/23/26/54/606232654.db2.gz BMPMSUNDBFDRHE-UHFFFAOYSA-N -1 3 357.330 1.052 20 5 FDBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821845144 606232656 /nfs/dbraw/zinc/23/26/56/606232656.db2.gz BMPMSUNDBFDRHE-UHFFFAOYSA-N -1 3 357.330 1.052 20 5 FDBDHM COc1ccc(CNC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1[N+](=O)[O-] ZINC000821798705 606234426 /nfs/dbraw/zinc/23/44/26/606234426.db2.gz KNGZYYYMWKLTMK-UHFFFAOYSA-N -1 3 357.330 1.052 20 5 FDBDHM COc1ccc(CNC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1[N+](=O)[O-] ZINC000821798705 606234428 /nfs/dbraw/zinc/23/44/28/606234428.db2.gz KNGZYYYMWKLTMK-UHFFFAOYSA-N -1 3 357.330 1.052 20 5 FDBDHM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820396606 606438318 /nfs/dbraw/zinc/43/83/18/606438318.db2.gz HDTXIGLKEVOWPE-SECBINFHSA-N -1 3 353.342 1.848 20 5 FDBDHM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820396606 606438320 /nfs/dbraw/zinc/43/83/20/606438320.db2.gz HDTXIGLKEVOWPE-SECBINFHSA-N -1 3 353.342 1.848 20 5 FDBDHM O=C(COC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000823027102 606566684 /nfs/dbraw/zinc/56/66/84/606566684.db2.gz LYRXLISNMMOPHQ-UHFFFAOYSA-N -1 3 359.323 1.876 20 5 FDBDHM O=C(COC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000823027102 606566686 /nfs/dbraw/zinc/56/66/86/606566686.db2.gz LYRXLISNMMOPHQ-UHFFFAOYSA-N -1 3 359.323 1.876 20 5 FDBDHM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1cccc(-c2nnn[n-]2)c1 ZINC000820397563 606578914 /nfs/dbraw/zinc/57/89/14/606578914.db2.gz QKIWINSVUKUOAC-SECBINFHSA-N -1 3 353.342 1.848 20 5 FDBDHM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1cccc(-c2nn[n-]n2)c1 ZINC000820397563 606578916 /nfs/dbraw/zinc/57/89/16/606578916.db2.gz QKIWINSVUKUOAC-SECBINFHSA-N -1 3 353.342 1.848 20 5 FDBDHM COC(=O)CCC1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000821660412 606611236 /nfs/dbraw/zinc/61/12/36/606611236.db2.gz QEAUOURLTYPLIO-UHFFFAOYSA-N -1 3 360.374 1.945 20 5 FDBDHM COC(=O)CCC1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000821660412 606611237 /nfs/dbraw/zinc/61/12/37/606611237.db2.gz QEAUOURLTYPLIO-UHFFFAOYSA-N -1 3 360.374 1.945 20 5 FDBDHM Cc1cc(=O)n(CCCOc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822159703 606785348 /nfs/dbraw/zinc/78/53/48/606785348.db2.gz CHQKKOJULAIJNQ-UHFFFAOYSA-N -1 3 356.342 1.714 20 5 FDBDHM Cc1cc(=O)n(CCC(=O)Nc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822162257 606785775 /nfs/dbraw/zinc/78/57/75/606785775.db2.gz ZMQQCKQUJKRWOK-UHFFFAOYSA-N -1 3 369.341 1.274 20 5 FDBDHM Cc1cc(=O)n(CCC(=O)Nc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822162257 606785776 /nfs/dbraw/zinc/78/57/76/606785776.db2.gz ZMQQCKQUJKRWOK-UHFFFAOYSA-N -1 3 369.341 1.274 20 5 FDBDHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccc([N+](=O)[O-])cn1 ZINC000823387468 606810390 /nfs/dbraw/zinc/81/03/90/606810390.db2.gz LDCLJAHDWWYHHA-UHFFFAOYSA-N -1 3 357.355 1.972 20 5 FDBDHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccc([N+](=O)[O-])cn1 ZINC000823387468 606810391 /nfs/dbraw/zinc/81/03/91/606810391.db2.gz LDCLJAHDWWYHHA-UHFFFAOYSA-N -1 3 357.355 1.972 20 5 FDBDHM O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823665549 607009101 /nfs/dbraw/zinc/00/91/01/607009101.db2.gz PFTGWMAZKXMOOL-UHFFFAOYSA-N -1 3 356.273 1.870 20 5 FDBDHM O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823665549 607009103 /nfs/dbraw/zinc/00/91/03/607009103.db2.gz PFTGWMAZKXMOOL-UHFFFAOYSA-N -1 3 356.273 1.870 20 5 FDBDHM O=C(CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)OCc1ccccc1 ZINC000822968932 607031840 /nfs/dbraw/zinc/03/18/40/607031840.db2.gz FBXKCYVYAYTIRV-UHFFFAOYSA-N -1 3 369.341 1.715 20 5 FDBDHM O=C(CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)OCc1ccccc1 ZINC000822968932 607031841 /nfs/dbraw/zinc/03/18/41/607031841.db2.gz FBXKCYVYAYTIRV-UHFFFAOYSA-N -1 3 369.341 1.715 20 5 FDBDHM CC(C)c1nc2n(n1)C[C@@H](Nc1ccc(-c3nnn[n-]3)c([N+](=O)[O-])c1)CC2 ZINC000824364505 607840762 /nfs/dbraw/zinc/84/07/62/607840762.db2.gz JCRJPOHPKQXUGL-NSHDSACASA-N -1 3 369.389 1.917 20 5 FDBDHM CO[C@@H]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)[C@@H]2C1 ZINC000826145486 607850433 /nfs/dbraw/zinc/85/04/33/607850433.db2.gz HMCVPVSVXZVTST-KCPJHIHWSA-N -1 3 360.374 1.548 20 5 FDBDHM CO[C@@H]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)[C@@H]2C1 ZINC000826145486 607850434 /nfs/dbraw/zinc/85/04/34/607850434.db2.gz HMCVPVSVXZVTST-KCPJHIHWSA-N -1 3 360.374 1.548 20 5 FDBDHM O=[N+]([O-])c1cccc([C@@H](O)COc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000826499512 607873366 /nfs/dbraw/zinc/87/33/66/607873366.db2.gz LOLRYRKVVVJGBE-ZDUSSCGKSA-N -1 3 372.297 1.796 20 5 FDBDHM O=[N+]([O-])c1cccc([C@@H](O)COc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000826499512 607873367 /nfs/dbraw/zinc/87/33/67/607873367.db2.gz LOLRYRKVVVJGBE-ZDUSSCGKSA-N -1 3 372.297 1.796 20 5 FDBDHM O=[N+]([O-])c1cnn(C[C@@H](O)COc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000826501102 607878357 /nfs/dbraw/zinc/87/83/57/607878357.db2.gz ZIMRZJUNMKRNKZ-SNVBAGLBSA-N -1 3 365.737 1.065 20 5 FDBDHM O=[N+]([O-])c1cnn(C[C@@H](O)COc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000826501102 607878358 /nfs/dbraw/zinc/87/83/58/607878358.db2.gz ZIMRZJUNMKRNKZ-SNVBAGLBSA-N -1 3 365.737 1.065 20 5 FDBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000826417227 608005097 /nfs/dbraw/zinc/00/50/97/608005097.db2.gz JDRCHRYCDBQUBS-UHFFFAOYSA-N -1 3 368.353 1.513 20 5 FDBDHM Cn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)n1 ZINC000826363034 608279076 /nfs/dbraw/zinc/27/90/76/608279076.db2.gz UCIUBDIPRLMKAA-UHFFFAOYSA-N -1 3 368.357 1.313 20 5 FDBDHM Cn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)n1 ZINC000826363034 608279078 /nfs/dbraw/zinc/27/90/78/608279078.db2.gz UCIUBDIPRLMKAA-UHFFFAOYSA-N -1 3 368.357 1.313 20 5 FDBDHM CN(Cc1cnccn1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825991657 608379138 /nfs/dbraw/zinc/37/91/38/608379138.db2.gz FYMNWQDWVOFTFL-UHFFFAOYSA-N -1 3 363.341 1.750 20 5 FDBDHM CN(Cc1cnccn1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825991657 608379140 /nfs/dbraw/zinc/37/91/40/608379140.db2.gz FYMNWQDWVOFTFL-UHFFFAOYSA-N -1 3 363.341 1.750 20 5 FDBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000826183872 609349865 /nfs/dbraw/zinc/34/98/65/609349865.db2.gz CTBSIOXYBQNXGH-UHFFFAOYSA-N -1 3 370.325 1.723 20 5 FDBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000826183872 609349867 /nfs/dbraw/zinc/34/98/67/609349867.db2.gz CTBSIOXYBQNXGH-UHFFFAOYSA-N -1 3 370.325 1.723 20 5 FDBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCCCS2(=O)=O)c(-c2nnn[n-]2)c1 ZINC000826498704 609589943 /nfs/dbraw/zinc/58/99/43/609589943.db2.gz GDFBLIPEGVPVTQ-JTQLQIEISA-N -1 3 352.376 1.154 20 5 FDBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCCCS2(=O)=O)c(-c2nn[n-]n2)c1 ZINC000826498704 609589944 /nfs/dbraw/zinc/58/99/44/609589944.db2.gz GDFBLIPEGVPVTQ-JTQLQIEISA-N -1 3 352.376 1.154 20 5 FDBDHM O=C(Cn1ccc([N+](=O)[O-])n1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826424349 609617823 /nfs/dbraw/zinc/61/78/23/609617823.db2.gz IGEHKAVPXPCGPZ-UHFFFAOYSA-N -1 3 363.721 1.368 20 5 FDBDHM O=C(Cn1ccc([N+](=O)[O-])n1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826424349 609617825 /nfs/dbraw/zinc/61/78/25/609617825.db2.gz IGEHKAVPXPCGPZ-UHFFFAOYSA-N -1 3 363.721 1.368 20 5 FDBDHM O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826464291 609636922 /nfs/dbraw/zinc/63/69/22/609636922.db2.gz QJRQLCGZRBASIK-CQSZACIVSA-N -1 3 373.300 1.691 20 5 FDBDHM O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826464291 609636924 /nfs/dbraw/zinc/63/69/24/609636924.db2.gz QJRQLCGZRBASIK-CQSZACIVSA-N -1 3 373.300 1.691 20 5 FDBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]N=c2nc[nH]c3ccsc32)cs1 ZINC000120290893 671687294 /nfs/dbraw/zinc/68/72/94/671687294.db2.gz ZFMYOFBPZCJSTH-UHFFFAOYSA-N -1 3 357.398 1.966 20 5 FDBDHM CC[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000157909495 671974532 /nfs/dbraw/zinc/97/45/32/671974532.db2.gz MYNWPBXABLKONF-SSDOTTSWSA-N -1 3 353.194 1.407 20 5 FDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](O)COCC1CC1 ZINC000443198350 682248468 /nfs/dbraw/zinc/24/84/68/682248468.db2.gz ODWKKMHFYUCAPH-LLVKDONJSA-N -1 3 364.807 1.314 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)[C@@H]2CCCO2)c(Cl)c1 ZINC000447930486 682580524 /nfs/dbraw/zinc/58/05/24/682580524.db2.gz MIKJDXGNRUBHHD-MNOVXSKESA-N -1 3 350.780 1.066 20 5 FDBDHM CO[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000451768802 682934051 /nfs/dbraw/zinc/93/40/51/682934051.db2.gz BDQFQBPFESGDML-CABZTGNLSA-N -1 3 364.807 1.578 20 5 FDBDHM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000462672424 684656524 /nfs/dbraw/zinc/65/65/24/684656524.db2.gz CTPIOBZQHFMBSD-QMMMGPOBSA-N -1 3 370.305 1.676 20 5 FDBDHM CC(=O)Nc1ncccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000466963932 684836012 /nfs/dbraw/zinc/83/60/12/684836012.db2.gz MFTFUBYCDBKYBK-UHFFFAOYSA-N -1 3 364.383 1.933 20 5 FDBDHM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467056283 684840133 /nfs/dbraw/zinc/84/01/33/684840133.db2.gz AZWHXXYYWPCNFP-ZCFIWIBFSA-N -1 3 358.344 1.440 20 5 FDBDHM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000478899338 685929062 /nfs/dbraw/zinc/92/90/62/685929062.db2.gz QVWSXMDMZLEDGL-UHFFFAOYSA-N -1 3 351.266 1.210 20 5 FDBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482857397 686439296 /nfs/dbraw/zinc/43/92/96/686439296.db2.gz MSHSYBWLEZUMNN-UHFFFAOYSA-N -1 3 358.280 1.774 20 5 FDBDHM Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000485426559 686719805 /nfs/dbraw/zinc/71/98/05/686719805.db2.gz PKUDONPQEAFAQB-UHFFFAOYSA-N -1 3 366.355 1.628 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc3c2OCO3)c(F)c1 ZINC000497757367 687709540 /nfs/dbraw/zinc/70/95/40/687709540.db2.gz GPMQWPPDDUVUEO-UHFFFAOYSA-N -1 3 354.315 1.941 20 5 FDBDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccco1 ZINC000525086556 694591117 /nfs/dbraw/zinc/59/11/17/694591117.db2.gz VJAKCQMWBMOAMY-LBPRGKRZSA-N -1 3 368.415 1.944 20 5 FDBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000525641955 694632699 /nfs/dbraw/zinc/63/26/99/694632699.db2.gz RCQJIWOQLLRRMO-CYBMUJFWSA-N -1 3 368.390 1.710 20 5 FDBDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)ncc2C)c([N+](=O)[O-])c1 ZINC000532618418 694880777 /nfs/dbraw/zinc/88/07/77/694880777.db2.gz CMKYMHUMXAWREM-UHFFFAOYSA-N -1 3 365.367 1.616 20 5 FDBDHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)[n-]1 ZINC000277796183 783340649 /nfs/dbraw/zinc/34/06/49/783340649.db2.gz SZLHGAGVGYVSPJ-UHFFFAOYSA-N -1 3 373.369 1.909 20 5 FDBDHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n[n-]1 ZINC000277796183 783340661 /nfs/dbraw/zinc/34/06/61/783340661.db2.gz SZLHGAGVGYVSPJ-UHFFFAOYSA-N -1 3 373.369 1.909 20 5 FDBDHM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(=O)NCCN1CCCCC1 ZINC000436552371 816581710 /nfs/dbraw/zinc/58/17/10/816581710.db2.gz BYEODOUJRRZHNB-GFCCVEGCSA-N -1 3 364.402 1.021 20 5 FDBDHM NC(=O)N1CCCc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc21 ZINC000429596157 817727978 /nfs/dbraw/zinc/72/79/78/817727978.db2.gz XAHFEWJKCSOEDX-UHFFFAOYSA-N -1 3 357.326 1.779 20 5 FDBDHM O=C(NCc1nc(COc2ccccc2)n[nH]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000474925014 824818674 /nfs/dbraw/zinc/81/86/74/824818674.db2.gz HXYQZYUBRAKTAJ-UHFFFAOYSA-N -1 3 370.325 1.323 20 5 FDBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)c2)n1 ZINC000485780459 852880432 /nfs/dbraw/zinc/88/04/32/852880432.db2.gz CUEKMAXRKBZOKL-UHFFFAOYSA-N -1 3 369.341 1.550 20 5 FDBDHM Nc1nc(C2CC2)ncc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000493322663 881602342 /nfs/dbraw/zinc/60/23/42/881602342.db2.gz RDVMWHLQGOHDMC-UHFFFAOYSA-N -1 3 365.353 1.739 20 5 FDBDHM CN1CC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000921414164 887915626 /nfs/dbraw/zinc/91/56/26/887915626.db2.gz DYIRWZXFUUTVOW-VIFPVBQESA-N -1 3 364.221 1.340 20 5 FDBDHM C[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000921495805 888041609 /nfs/dbraw/zinc/04/16/09/888041609.db2.gz HYOCZBGJYLWROI-GMSGAONNSA-N -1 3 365.205 1.671 20 5 FDBDHM CCOC(=O)c1cc(C(=O)N2CCc3c(=O)[n-]cnc3C2)cc([N+](=O)[O-])c1 ZINC000273228188 911261574 /nfs/dbraw/zinc/26/15/74/911261574.db2.gz MBCUCZWKLFFHAE-UHFFFAOYSA-N -1 3 372.337 1.466 20 5 FDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](OC)C(F)(F)F ZINC000733320603 920976048 /nfs/dbraw/zinc/97/60/48/920976048.db2.gz RSXFIHBWSFXJKX-JTQLQIEISA-N -1 3 358.294 1.459 20 5 FDBDHM COc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1N1CCOC1=O ZINC000743807437 926467265 /nfs/dbraw/zinc/46/72/65/926467265.db2.gz QVSXELAKJDQSNP-UHFFFAOYSA-N -1 3 374.309 1.913 20 5 FDBDHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000770107741 929852846 /nfs/dbraw/zinc/85/28/46/929852846.db2.gz NHVDRSHELOUBIN-ZDUSSCGKSA-N -1 3 374.415 1.481 20 5 FDBDHM O=[N+]([O-])c1ccc(NCCO)c([N-]S(=O)(=O)C[C@H]2CCCOC2)c1 ZINC000788138279 932571170 /nfs/dbraw/zinc/57/11/70/932571170.db2.gz BBJBVYHQPMCDIK-NSHDSACASA-N -1 3 359.404 1.167 20 5 FDBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000791389408 933990935 /nfs/dbraw/zinc/99/09/35/933990935.db2.gz ZYBBSQYMSABHNI-UHFFFAOYSA-N -1 3 362.317 1.182 20 5 FDBDHM COCN1C(=O)CCc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc21 ZINC000793915506 938337609 /nfs/dbraw/zinc/33/76/09/938337609.db2.gz UIRKSNDIECGCMK-UHFFFAOYSA-N -1 3 372.337 1.831 20 5 FDBDHM CCn1ncn([N-]C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1=O ZINC000820391510 944026905 /nfs/dbraw/zinc/02/69/05/944026905.db2.gz OEKMXVMKRIENER-UHFFFAOYSA-N -1 3 370.163 1.428 20 5 FDBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C1CCN(C2CC2)CC1 ZINC000805860423 946316626 /nfs/dbraw/zinc/31/66/26/946316626.db2.gz GDLQSOTWESSYEC-UHFFFAOYSA-N -1 3 367.427 1.583 20 5 FDBDHM CC(=O)Nc1ccc(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC001573547756 946837745 /nfs/dbraw/zinc/83/77/45/946837745.db2.gz SOWDBDOQCTXVOD-UHFFFAOYSA-N -1 3 372.320 1.880 20 5 FDBDHM CC(=O)Nc1ccc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC001573547756 946837759 /nfs/dbraw/zinc/83/77/59/946837759.db2.gz SOWDBDOQCTXVOD-UHFFFAOYSA-N -1 3 372.320 1.880 20 5 FDBDHM O=C([O-])[C@]12CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@H]1COCC2 ZINC000846281294 950844336 /nfs/dbraw/zinc/84/43/36/950844336.db2.gz CWFLEZNSWIFYAK-YVEFUNNKSA-N -1 3 374.353 1.568 20 5 FDBDHM Cc1cc(=O)[n-]c(N2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001176202403 963389221 /nfs/dbraw/zinc/38/92/21/963389221.db2.gz LZBQMSXBBMZWPL-OAHLLOKOSA-N -1 3 359.386 1.254 20 5 FDBDHM COc1cc(C(=O)N2CCC(Cc3nnn[n-]3)CC2)c([N+](=O)[O-])cc1F ZINC001176780297 963537663 /nfs/dbraw/zinc/53/76/63/963537663.db2.gz MINYVXHWYSPHTP-UHFFFAOYSA-N -1 3 364.337 1.351 20 5 FDBDHM COc1cc(C(=O)N2CCC(Cc3nn[n-]n3)CC2)c([N+](=O)[O-])cc1F ZINC001176780297 963537673 /nfs/dbraw/zinc/53/76/73/963537673.db2.gz MINYVXHWYSPHTP-UHFFFAOYSA-N -1 3 364.337 1.351 20 5 FDBDHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(O)CCSC2)c(F)cc1[N+](=O)[O-] ZINC001187843972 965784741 /nfs/dbraw/zinc/78/47/41/965784741.db2.gz UNORFLKQLIYMRP-LBPRGKRZSA-N -1 3 350.393 1.189 20 5 FDBDHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000853446502 968016724 /nfs/dbraw/zinc/01/67/24/968016724.db2.gz BGNGHASQAFPZRH-CMPLNLGQSA-N -1 3 368.390 1.814 20 5 FDBDHM CC(C)(C)OC(=O)NCC1(O)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000853692502 968254132 /nfs/dbraw/zinc/25/41/32/968254132.db2.gz ATVORFGKXPYHGN-UHFFFAOYSA-N -1 3 368.390 1.551 20 5 FDBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCN(CCF)C2)c([N+](=O)[O-])s1 ZINC000867713264 976705384 /nfs/dbraw/zinc/70/53/84/976705384.db2.gz OHIWYDNEDRWNJB-SNVBAGLBSA-N -1 3 351.425 1.677 20 5 FDBDHM COCCCOCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826156448 979150901 /nfs/dbraw/zinc/15/09/01/979150901.db2.gz DJIJIESYZFBSQE-UHFFFAOYSA-N -1 3 370.753 1.420 20 5 FDBDHM COCCCOCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826156448 979150906 /nfs/dbraw/zinc/15/09/06/979150906.db2.gz DJIJIESYZFBSQE-UHFFFAOYSA-N -1 3 370.753 1.420 20 5 FDBDHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)OCCC[N+](=O)[O-])cc1 ZINC000860916212 983556734 /nfs/dbraw/zinc/55/67/34/983556734.db2.gz QBADOJIKUZUNPU-UHFFFAOYSA-N -1 3 360.388 1.426 20 5 FDBDHM CCOc1cc(CN2CCN(CCC(=O)[O-])C[C@H]2C)ccc1[N+](=O)[O-] ZINC001597032968 986459290 /nfs/dbraw/zinc/45/92/90/986459290.db2.gz WQLKDGSBXBWTGQ-CYBMUJFWSA-N -1 3 351.403 1.974 20 5 FDBDHM CC(C)(C(=O)[O-])N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001589620648 987498520 /nfs/dbraw/zinc/49/85/20/987498520.db2.gz NVBGWPRQNXZYHN-HUUCEWRRSA-N -1 3 361.398 1.706 20 5 FDBDHM COc1ccc(OCCN[C@H](C(=O)[O-])c2ccnn2C)c([N+](=O)[O-])c1 ZINC001599605639 993880600 /nfs/dbraw/zinc/88/06/00/993880600.db2.gz BOQRJJLRIFOMGX-AWEZNQCLSA-N -1 3 350.331 1.131 20 5 FDBDHM C[C@@](NCC[S@@](=O)C(F)(F)F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593273044 994616518 /nfs/dbraw/zinc/61/65/18/994616518.db2.gz WDRBRZRDOYMWNA-BSNNYGBQSA-N -1 3 354.306 1.753 20 5 FDBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCCN(C)C2=O)c1 ZINC000779905378 1012200086 /nfs/dbraw/zinc/20/00/86/1012200086.db2.gz UBBHFAWJRDZRHZ-SECBINFHSA-N -1 3 361.807 1.456 20 5 FDBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CCN1CCCCC1)OCCO2 ZINC000264022298 179015582 /nfs/dbraw/zinc/01/55/82/179015582.db2.gz WZQUOLQEOYDGOE-UHFFFAOYSA-N -1 3 371.415 1.130 20 5 FDBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CC1CCOCC1)OCCO2 ZINC000264024774 179016337 /nfs/dbraw/zinc/01/63/37/179016337.db2.gz XQSQCYZGMVSNPH-UHFFFAOYSA-N -1 3 358.372 1.071 20 5 FDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCOC2(CCC2)C1 ZINC000269017899 180198503 /nfs/dbraw/zinc/19/85/03/180198503.db2.gz XMUMGRFQWZENNR-NSHDSACASA-N -1 3 356.400 1.983 20 5 FDBDHM C[C@H]1CN(CCCCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000269291535 180266012 /nfs/dbraw/zinc/26/60/12/180266012.db2.gz PYNAMYIQYUBBBY-STQMWFEESA-N -1 3 351.403 1.920 20 5 FDBDHM COC(=O)Cn1cc([C@@H](C)OC(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)nn1 ZINC000269444000 180303935 /nfs/dbraw/zinc/30/39/35/180303935.db2.gz JXWXPEWATWSAPW-MRVPVSSYSA-N -1 3 374.313 1.154 20 5 FDBDHM COC(=O)Cn1cc([C@@H](C)OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)nn1 ZINC000269444000 180303937 /nfs/dbraw/zinc/30/39/37/180303937.db2.gz JXWXPEWATWSAPW-MRVPVSSYSA-N -1 3 374.313 1.154 20 5 FDBDHM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269733774 180374101 /nfs/dbraw/zinc/37/41/01/180374101.db2.gz ZGQXDLVJKGHFME-SNVBAGLBSA-N -1 3 374.415 1.441 20 5 FDBDHM C[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269771375 180384774 /nfs/dbraw/zinc/38/47/74/180384774.db2.gz MRIIHKCGSAHYMG-YUMQZZPRSA-N -1 3 367.221 1.653 20 5 FDBDHM COc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000269815902 180396988 /nfs/dbraw/zinc/39/69/88/180396988.db2.gz RMLJHAZCUAAPLF-CQSZACIVSA-N -1 3 366.395 1.924 20 5 FDBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ncccc1F ZINC000530481155 539981564 /nfs/dbraw/zinc/98/15/64/539981564.db2.gz JERAOSWJLILJJE-UHFFFAOYSA-N -1 3 369.330 1.394 20 5 FDBDHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000530640894 540013936 /nfs/dbraw/zinc/01/39/36/540013936.db2.gz SAJJZUUKJHISGQ-LBPRGKRZSA-N -1 3 372.399 1.089 20 5 FDBDHM O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000274935812 181200044 /nfs/dbraw/zinc/20/00/44/181200044.db2.gz MNUIHASXVFHTRW-UHFFFAOYSA-N -1 3 358.354 1.909 20 5 FDBDHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275094194 181236943 /nfs/dbraw/zinc/23/69/43/181236943.db2.gz ROQSIESTSXMLMJ-ZDUSSCGKSA-N -1 3 364.395 1.818 20 5 FDBDHM O=C1OCCN1c1ccc(S(=O)(=O)[N-]CC(F)F)cc1[N+](=O)[O-] ZINC000275096215 181237573 /nfs/dbraw/zinc/23/75/73/181237573.db2.gz SAMAGJZOYVFFAO-UHFFFAOYSA-N -1 3 351.287 1.095 20 5 FDBDHM COc1c(F)cc(S(=O)(=O)[N-]CCSCCCO)cc1[N+](=O)[O-] ZINC000275077867 181232030 /nfs/dbraw/zinc/23/20/30/181232030.db2.gz MOEOEHRWUBWJRK-UHFFFAOYSA-N -1 3 368.408 1.136 20 5 FDBDHM CCn1cc(S(=O)(=O)[N-]C[C@H](C)CN2CCCCC2)c([N+](=O)[O-])n1 ZINC000533634714 540274027 /nfs/dbraw/zinc/27/40/27/540274027.db2.gz LVMJCKFMBFINAX-LBPRGKRZSA-N -1 3 359.452 1.212 20 5 FDBDHM CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000534509995 540375262 /nfs/dbraw/zinc/37/52/62/540375262.db2.gz DDHKVHHHABHQRC-QMMMGPOBSA-N -1 3 370.836 1.350 20 5 FDBDHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000535832781 540517720 /nfs/dbraw/zinc/51/77/20/540517720.db2.gz OPAZDMJSXOZYRO-AWEZNQCLSA-N -1 3 372.312 1.737 20 5 FDBDHM CC(C)CC[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536861018 540655009 /nfs/dbraw/zinc/65/50/09/540655009.db2.gz BDGOBIPQOQCHKT-GFCCVEGCSA-N -1 3 357.432 1.814 20 5 FDBDHM CN(C)c1nccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000537182678 540697523 /nfs/dbraw/zinc/69/75/23/540697523.db2.gz XOBALWWZXGHNNQ-UHFFFAOYSA-N -1 3 355.351 1.068 20 5 FDBDHM 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362.737 1.709 20 5 FDBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)Oc1cccc(-c2nnn[n-]2)c1 ZINC000823648051 606749278 /nfs/dbraw/zinc/74/92/78/606749278.db2.gz SIUYXNKIIXFWLJ-UHFFFAOYSA-N -1 3 361.339 1.684 20 5 FDBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)Oc1cccc(-c2nn[n-]n2)c1 ZINC000823648051 606749280 /nfs/dbraw/zinc/74/92/80/606749280.db2.gz SIUYXNKIIXFWLJ-UHFFFAOYSA-N -1 3 361.339 1.684 20 5 FDBDHM CCOC(=O)CCN(CC1CC1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821330520 606757184 /nfs/dbraw/zinc/75/71/84/606757184.db2.gz MKEVOTUCCMSIGR-UHFFFAOYSA-N -1 3 360.374 1.945 20 5 FDBDHM CCOC(=O)CCN(CC1CC1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821330520 606757185 /nfs/dbraw/zinc/75/71/85/606757185.db2.gz MKEVOTUCCMSIGR-UHFFFAOYSA-N -1 3 360.374 1.945 20 5 FDBDHM COc1cc(-c2nnn[n-]2)ccc1OCCn1cc([N+](=O)[O-])c(C)cc1=O ZINC000821702146 606784710 /nfs/dbraw/zinc/78/47/10/606784710.db2.gz JGZGFWURQZPGPQ-UHFFFAOYSA-N -1 3 372.341 1.333 20 5 FDBDHM COc1cc(-c2nn[n-]n2)ccc1OCCn1cc([N+](=O)[O-])c(C)cc1=O ZINC000821702146 606784711 /nfs/dbraw/zinc/78/47/11/606784711.db2.gz JGZGFWURQZPGPQ-UHFFFAOYSA-N -1 3 372.341 1.333 20 5 FDBDHM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820735842 606803636 /nfs/dbraw/zinc/80/36/36/606803636.db2.gz VBNNGHKXWBHEBZ-MFKMUULPSA-N -1 3 371.401 1.834 20 5 FDBDHM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820735842 606803639 /nfs/dbraw/zinc/80/36/39/606803639.db2.gz VBNNGHKXWBHEBZ-MFKMUULPSA-N -1 3 371.401 1.834 20 5 FDBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@@]12CCCO2 ZINC000273598788 674552635 /nfs/dbraw/zinc/55/26/35/674552635.db2.gz LHRWKRKWRHWLHZ-KFWWJZLASA-N -1 3 374.390 1.739 20 5 FDBDHM NC(=O)c1ccc(COc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000822885168 607171736 /nfs/dbraw/zinc/17/17/36/607171736.db2.gz JMJZGWNQMNLYQP-UHFFFAOYSA-N -1 3 358.289 1.592 20 5 FDBDHM NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000822885168 607171737 /nfs/dbraw/zinc/17/17/37/607171737.db2.gz JMJZGWNQMNLYQP-UHFFFAOYSA-N -1 3 358.289 1.592 20 5 FDBDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NCCc1cccc([N+](=O)[O-])c1 ZINC000826417915 608004965 /nfs/dbraw/zinc/00/49/65/608004965.db2.gz KUGMGYKZZGSOEO-UHFFFAOYSA-N -1 3 368.353 1.513 20 5 FDBDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NCCc1cccc([N+](=O)[O-])c1 ZINC000826417915 608004966 /nfs/dbraw/zinc/00/49/66/608004966.db2.gz KUGMGYKZZGSOEO-UHFFFAOYSA-N -1 3 368.353 1.513 20 5 FDBDHM O=C1C[C@H]([C@H]2CCCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CN1 ZINC000826478780 608149422 /nfs/dbraw/zinc/14/94/22/608149422.db2.gz JMXXBYJMJRFRRL-GXFFZTMASA-N -1 3 357.374 1.270 20 5 FDBDHM O=C1C[C@H]([C@H]2CCCCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CN1 ZINC000826478780 608149423 /nfs/dbraw/zinc/14/94/23/608149423.db2.gz JMXXBYJMJRFRRL-GXFFZTMASA-N -1 3 357.374 1.270 20 5 FDBDHM Cc1cnn(CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826320496 608161856 /nfs/dbraw/zinc/16/18/56/608161856.db2.gz SSBOZDDIHLWHQS-UHFFFAOYSA-N -1 3 362.737 1.572 20 5 FDBDHM Cc1cnn(CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826320496 608161858 /nfs/dbraw/zinc/16/18/58/608161858.db2.gz SSBOZDDIHLWHQS-UHFFFAOYSA-N -1 3 362.737 1.572 20 5 FDBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@@H]1CCCCO1 ZINC000826450351 608162514 /nfs/dbraw/zinc/16/25/14/608162514.db2.gz IEEODMARFDSADL-JTQLQIEISA-N -1 3 352.738 1.936 20 5 FDBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@@H]1CCCCO1 ZINC000826450351 608162515 /nfs/dbraw/zinc/16/25/15/608162515.db2.gz IEEODMARFDSADL-JTQLQIEISA-N -1 3 352.738 1.936 20 5 FDBDHM C[C@H]1CC[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)O1 ZINC000824897859 608162897 /nfs/dbraw/zinc/16/28/97/608162897.db2.gz BYZVCBJPGWUHGC-WKEGUHRASA-N -1 3 352.738 1.934 20 5 FDBDHM C[C@H]1CC[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)O1 ZINC000824897859 608162899 /nfs/dbraw/zinc/16/28/99/608162899.db2.gz BYZVCBJPGWUHGC-WKEGUHRASA-N -1 3 352.738 1.934 20 5 FDBDHM CCc1nn(C)c(OC)c1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825759503 608241131 /nfs/dbraw/zinc/24/11/31/608241131.db2.gz KGTGXWKPYCEHLO-UHFFFAOYSA-N -1 3 358.362 1.692 20 5 FDBDHM CCc1nn(C)c(OC)c1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825759503 608241133 /nfs/dbraw/zinc/24/11/33/608241133.db2.gz KGTGXWKPYCEHLO-UHFFFAOYSA-N -1 3 358.362 1.692 20 5 FDBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc([N+](=O)[O-])cc1N ZINC000826172741 608344389 /nfs/dbraw/zinc/34/43/89/608344389.db2.gz VOYLHPFGHNGOLG-UHFFFAOYSA-N -1 3 370.325 1.723 20 5 FDBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc([N+](=O)[O-])cc1N ZINC000826172741 608344390 /nfs/dbraw/zinc/34/43/90/608344390.db2.gz VOYLHPFGHNGOLG-UHFFFAOYSA-N -1 3 370.325 1.723 20 5 FDBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(-c4nnn[n-]4)o3)C2)nc1 ZINC000826498799 608719068 /nfs/dbraw/zinc/71/90/68/608719068.db2.gz KCLLDGRBZKNNJK-SNVBAGLBSA-N -1 3 356.346 1.449 20 5 FDBDHM O=[N+]([O-])c1ccc(NC[C@@H]2COC3(CCOCC3)O2)c(-c2nnn[n-]2)c1 ZINC000826499195 609173316 /nfs/dbraw/zinc/17/33/16/609173316.db2.gz ZKDAGDKWDMQAPB-LLVKDONJSA-N -1 3 362.346 1.109 20 5 FDBDHM O=[N+]([O-])c1ccc(NC[C@@H]2COC3(CCOCC3)O2)c(-c2nn[n-]n2)c1 ZINC000826499195 609173318 /nfs/dbraw/zinc/17/33/18/609173318.db2.gz ZKDAGDKWDMQAPB-LLVKDONJSA-N -1 3 362.346 1.109 20 5 FDBDHM O=C(NCc1ccccc1[N+](=O)[O-])[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443350 609201899 /nfs/dbraw/zinc/20/18/99/609201899.db2.gz LKKZDWUOTHQZHA-CQSZACIVSA-N -1 3 354.326 1.125 20 5 FDBDHM O=C(NCc1ccccc1[N+](=O)[O-])[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443350 609201900 /nfs/dbraw/zinc/20/19/00/609201900.db2.gz LKKZDWUOTHQZHA-CQSZACIVSA-N -1 3 354.326 1.125 20 5 FDBDHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000826469191 609227583 /nfs/dbraw/zinc/22/75/83/609227583.db2.gz XQHBARKBLVCAEY-UHFFFAOYSA-N -1 3 353.342 1.908 20 5 FDBDHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000826469191 609227584 /nfs/dbraw/zinc/22/75/84/609227584.db2.gz XQHBARKBLVCAEY-UHFFFAOYSA-N -1 3 353.342 1.908 20 5 FDBDHM O=C1[C@H](n2cc([N+](=O)[O-])cn2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477335 609438806 /nfs/dbraw/zinc/43/88/06/609438806.db2.gz AGZCKTORWBKJHM-CYBMUJFWSA-N -1 3 354.330 1.340 20 5 FDBDHM O=C1[C@H](n2cc([N+](=O)[O-])cn2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477335 609438808 /nfs/dbraw/zinc/43/88/08/609438808.db2.gz AGZCKTORWBKJHM-CYBMUJFWSA-N -1 3 354.330 1.340 20 5 FDBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000825972051 609440155 /nfs/dbraw/zinc/44/01/55/609440155.db2.gz SYNRGRIWBOHORS-UHFFFAOYSA-N -1 3 354.330 1.024 20 5 FDBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000825972051 609440156 /nfs/dbraw/zinc/44/01/56/609440156.db2.gz SYNRGRIWBOHORS-UHFFFAOYSA-N -1 3 354.330 1.024 20 5 FDBDHM O=C(OCc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826466609 609634264 /nfs/dbraw/zinc/63/42/64/609634264.db2.gz LOQYMPCDQFONTP-AWEZNQCLSA-N -1 3 355.310 1.552 20 5 FDBDHM O=C(OCc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826466609 609634266 /nfs/dbraw/zinc/63/42/66/609634266.db2.gz LOQYMPCDQFONTP-AWEZNQCLSA-N -1 3 355.310 1.552 20 5 FDBDHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000118942978 671668870 /nfs/dbraw/zinc/66/88/70/671668870.db2.gz VYJUQVCQQDYNTM-OAHLLOKOSA-N -1 3 354.359 1.920 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](CO)[C@@H]2CCOC2)c(Cl)c1 ZINC000280988721 675477120 /nfs/dbraw/zinc/47/71/20/675477120.db2.gz NARKJUOJCAWDPB-NXEZZACHSA-N -1 3 364.807 1.172 20 5 FDBDHM CCOC(=O)C(=C([O-])Cn1cc([N+](=O)[O-])ccc1=O)c1nc(C)cs1 ZINC000298291869 676448908 /nfs/dbraw/zinc/44/89/08/676448908.db2.gz FRIYQQCTGAOGEM-ZDUSSCGKSA-N -1 3 365.367 1.437 20 5 FDBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@@H]2C[C@H]3CCCCN3C2=O)s1 ZINC000413380295 679261664 /nfs/dbraw/zinc/26/16/64/679261664.db2.gz NCLMQXACSOLKAF-RKDXNWHRSA-N -1 3 359.429 1.625 20 5 FDBDHM CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416377211 679593560 /nfs/dbraw/zinc/59/35/60/679593560.db2.gz WWLLYSOYIICUIF-ZETCQYMHSA-N -1 3 369.321 1.417 20 5 FDBDHM CCOC(=O)c1nnsc1[N-]C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000435541260 681603608 /nfs/dbraw/zinc/60/36/08/681603608.db2.gz GYJLIPNUVLYKDP-UHFFFAOYSA-N -1 3 352.328 1.884 20 5 FDBDHM CSc1nnc(C[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000445704180 682462040 /nfs/dbraw/zinc/46/20/40/682462040.db2.gz GMULTXDHPWNFQT-UHFFFAOYSA-N -1 3 374.469 1.830 20 5 FDBDHM CO[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000451768801 682934021 /nfs/dbraw/zinc/93/40/21/682934021.db2.gz BDQFQBPFESGDML-BXKDBHETSA-N -1 3 364.807 1.578 20 5 FDBDHM Nc1cccc(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000464558307 684751341 /nfs/dbraw/zinc/75/13/41/684751341.db2.gz QAMPWVKIOYTPDK-UHFFFAOYSA-N -1 3 365.367 1.427 20 5 FDBDHM CCC[C@@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OC ZINC000467405171 684858590 /nfs/dbraw/zinc/85/85/90/684858590.db2.gz 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OCKPXUFCZMIRPB-GFCCVEGCSA-N -1 3 369.389 1.589 20 5 FDBDHM Cn1cc(N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)cn1 ZINC000822680408 599036933 /nfs/dbraw/zinc/03/69/33/599036933.db2.gz OCKPXUFCZMIRPB-GFCCVEGCSA-N -1 3 369.389 1.589 20 5 FDBDHM CCO[C@@H]1C[C@@H](O)C12CCN(c1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])CC2 ZINC000736609167 599046250 /nfs/dbraw/zinc/04/62/50/599046250.db2.gz DLRDEZYUPBFLAZ-HUUCEWRRSA-N -1 3 374.401 1.531 20 5 FDBDHM CCO[C@@H]1C[C@@H](O)C12CCN(c1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])CC2 ZINC000736609167 599046253 /nfs/dbraw/zinc/04/62/53/599046253.db2.gz DLRDEZYUPBFLAZ-HUUCEWRRSA-N -1 3 374.401 1.531 20 5 FDBDHM Cc1nn(C)c(C)c1C[C@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822491556 599047126 /nfs/dbraw/zinc/04/71/26/599047126.db2.gz DNLGNPJKBMOGEI-QMMMGPOBSA-N -1 3 357.378 1.563 20 5 FDBDHM Cc1nn(C)c(C)c1C[C@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822491556 599047131 /nfs/dbraw/zinc/04/71/31/599047131.db2.gz DNLGNPJKBMOGEI-QMMMGPOBSA-N -1 3 357.378 1.563 20 5 FDBDHM C[S@](=O)Cc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737174600 599062989 /nfs/dbraw/zinc/06/29/89/599062989.db2.gz VRXIJPRWMOKFNM-VWLOTQADSA-N -1 3 359.371 1.792 20 5 FDBDHM C[S@](=O)Cc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737174600 599062991 /nfs/dbraw/zinc/06/29/91/599062991.db2.gz VRXIJPRWMOKFNM-VWLOTQADSA-N -1 3 359.371 1.792 20 5 FDBDHM CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821634988 599069016 /nfs/dbraw/zinc/06/90/16/599069016.db2.gz FUAUNICQEKPUDS-UHFFFAOYSA-N -1 3 371.332 1.886 20 5 FDBDHM CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821634988 599069018 /nfs/dbraw/zinc/06/90/18/599069018.db2.gz FUAUNICQEKPUDS-UHFFFAOYSA-N -1 3 371.332 1.886 20 5 FDBDHM NC(=O)[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739170 599096266 /nfs/dbraw/zinc/09/62/66/599096266.db2.gz WWBOQLGSXZTVHB-AWEZNQCLSA-N -1 3 353.342 1.091 20 5 FDBDHM NC(=O)[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739170 599096268 /nfs/dbraw/zinc/09/62/68/599096268.db2.gz WWBOQLGSXZTVHB-AWEZNQCLSA-N -1 3 353.342 1.091 20 5 FDBDHM CN(C)C(=O)Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736748344 598499631 /nfs/dbraw/zinc/49/96/31/598499631.db2.gz YMDOZNDKSMTHNK-UHFFFAOYSA-N -1 3 368.357 1.544 20 5 FDBDHM CN(C)C(=O)Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736748344 598499632 /nfs/dbraw/zinc/49/96/32/598499632.db2.gz YMDOZNDKSMTHNK-UHFFFAOYSA-N -1 3 368.357 1.544 20 5 FDBDHM CCc1n[nH]c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1[N+](=O)[O-] ZINC000736664912 598612487 /nfs/dbraw/zinc/61/24/87/598612487.db2.gz AORQHSXTJCBXTB-UHFFFAOYSA-N -1 3 360.309 1.130 20 5 FDBDHM CCc1n[nH]c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1[N+](=O)[O-] ZINC000736664912 598612489 /nfs/dbraw/zinc/61/24/89/598612489.db2.gz AORQHSXTJCBXTB-UHFFFAOYSA-N -1 3 360.309 1.130 20 5 FDBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000738150192 598659884 /nfs/dbraw/zinc/65/98/84/598659884.db2.gz BGQBNAHPVTXTTI-UHFFFAOYSA-N -1 3 356.258 1.330 20 5 FDBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000738150192 598659886 /nfs/dbraw/zinc/65/98/86/598659886.db2.gz BGQBNAHPVTXTTI-UHFFFAOYSA-N -1 3 356.258 1.330 20 5 FDBDHM COc1cccc([C@@H](O)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737125375 598678320 /nfs/dbraw/zinc/67/83/20/598678320.db2.gz CYAYDQNWZIMXOS-HNNXBMFYSA-N -1 3 356.342 1.929 20 5 FDBDHM COc1cccc([C@@H](O)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737125375 598678323 /nfs/dbraw/zinc/67/83/23/598678323.db2.gz CYAYDQNWZIMXOS-HNNXBMFYSA-N -1 3 356.342 1.929 20 5 FDBDHM Cn1cnc([N+](=O)[O-])c1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737619074 598756107 /nfs/dbraw/zinc/75/61/07/598756107.db2.gz QSSIEVGVZLPPKC-UHFFFAOYSA-N -1 3 370.373 1.556 20 5 FDBDHM CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504511 599309038 /nfs/dbraw/zinc/30/90/38/599309038.db2.gz FPRNRRMDPCUMSZ-UHFFFAOYSA-N -1 3 356.346 1.415 20 5 FDBDHM CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504511 599309041 /nfs/dbraw/zinc/30/90/41/599309041.db2.gz FPRNRRMDPCUMSZ-UHFFFAOYSA-N -1 3 356.346 1.415 20 5 FDBDHM COC(=O)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc([N+](=O)[O-])c1 ZINC000736950536 599346009 /nfs/dbraw/zinc/34/60/09/599346009.db2.gz KCWAJDCDHDXASU-UHFFFAOYSA-N -1 3 368.309 1.814 20 5 FDBDHM COC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc([N+](=O)[O-])c1 ZINC000736950536 599346011 /nfs/dbraw/zinc/34/60/11/599346011.db2.gz KCWAJDCDHDXASU-UHFFFAOYSA-N -1 3 368.309 1.814 20 5 FDBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H](C(F)(F)F)O1 ZINC000820778414 599688056 /nfs/dbraw/zinc/68/80/56/599688056.db2.gz WLVFQYKWMOJOJF-RDDDGLTNSA-N -1 3 358.280 1.931 20 5 FDBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H](C(F)(F)F)O1 ZINC000820778414 599688057 /nfs/dbraw/zinc/68/80/57/599688057.db2.gz WLVFQYKWMOJOJF-RDDDGLTNSA-N -1 3 358.280 1.931 20 5 FDBDHM O=C([O-])c1ccc(CN[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000833314480 601617212 /nfs/dbraw/zinc/61/72/12/601617212.db2.gz LCINGFUDQXZJBQ-HOTGVXAUSA-N -1 3 364.329 1.616 20 5 FDBDHM O=C([O-])c1sccc1CN[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000833348357 601806133 /nfs/dbraw/zinc/80/61/33/601806133.db2.gz IMAYKZIDPLSVIH-CHWSQXEVSA-N -1 3 352.368 1.539 20 5 FDBDHM CN(CC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1)C(=O)[O-] ZINC000739660908 602383218 /nfs/dbraw/zinc/38/32/18/602383218.db2.gz LYHPBGUWCQQECR-HNNXBMFYSA-N -1 3 367.402 1.656 20 5 FDBDHM COC(=O)C1CCN(CCCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000833707914 605179257 /nfs/dbraw/zinc/17/92/57/605179257.db2.gz NKNWPQLOQZSYDV-UHFFFAOYSA-N -1 3 365.386 1.980 20 5 FDBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826499699 607740957 /nfs/dbraw/zinc/74/09/57/607740957.db2.gz SURAOBCCJXRDPH-UHFFFAOYSA-N -1 3 374.382 1.395 20 5 FDBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826499699 607740958 /nfs/dbraw/zinc/74/09/58/607740958.db2.gz SURAOBCCJXRDPH-UHFFFAOYSA-N -1 3 374.382 1.395 20 5 FDBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822213174 606228773 /nfs/dbraw/zinc/22/87/73/606228773.db2.gz XNFVMVCQUKUTIY-UHFFFAOYSA-N -1 3 371.313 1.207 20 5 FDBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822213174 606228774 /nfs/dbraw/zinc/22/87/74/606228774.db2.gz XNFVMVCQUKUTIY-UHFFFAOYSA-N -1 3 371.313 1.207 20 5 FDBDHM O=C1[C@H](Nc2cccc(-c3nnn[n-]3)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000823511892 606244509 /nfs/dbraw/zinc/24/45/09/606244509.db2.gz IOVKMZWNTQGOLR-OAHLLOKOSA-N -1 3 365.353 1.992 20 5 FDBDHM O=C1[C@H](Nc2cccc(-c3nn[n-]n3)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000823511892 606244510 /nfs/dbraw/zinc/24/45/10/606244510.db2.gz IOVKMZWNTQGOLR-OAHLLOKOSA-N -1 3 365.353 1.992 20 5 FDBDHM Cc1ccc(OS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000822266717 606363517 /nfs/dbraw/zinc/36/35/17/606363517.db2.gz FSWCXVKNUYFFLO-UHFFFAOYSA-N -1 3 361.339 1.851 20 5 FDBDHM Cc1ccc(OS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000822266717 606363518 /nfs/dbraw/zinc/36/35/18/606363518.db2.gz FSWCXVKNUYFFLO-UHFFFAOYSA-N -1 3 361.339 1.851 20 5 FDBDHM Cc1nc(NC(=O)COc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000822449831 606608512 /nfs/dbraw/zinc/60/85/12/606608512.db2.gz RCVHWSCWVVUIIB-UHFFFAOYSA-N -1 3 355.314 1.496 20 5 FDBDHM Cc1nc(NC(=O)COc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000822449831 606608514 /nfs/dbraw/zinc/60/85/14/606608514.db2.gz RCVHWSCWVVUIIB-UHFFFAOYSA-N -1 3 355.314 1.496 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCOC2(CCOCC2)C1 ZINC000823630241 607176019 /nfs/dbraw/zinc/17/60/19/607176019.db2.gz SXGKDSKUSBTWEZ-LBPRGKRZSA-N -1 3 360.374 1.915 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCOC2(CCOCC2)C1 ZINC000823630241 607176020 /nfs/dbraw/zinc/17/60/20/607176020.db2.gz SXGKDSKUSBTWEZ-LBPRGKRZSA-N -1 3 360.374 1.915 20 5 FDBDHM Cc1cccc(OC[C@@H](O)COc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC000826300137 607876483 /nfs/dbraw/zinc/87/64/83/607876483.db2.gz KIQPHDYPSJUSKU-GFCCVEGCSA-N -1 3 371.353 1.902 20 5 FDBDHM Cc1cccc(OC[C@@H](O)COc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC000826300137 607876484 /nfs/dbraw/zinc/87/64/84/607876484.db2.gz KIQPHDYPSJUSKU-GFCCVEGCSA-N -1 3 371.353 1.902 20 5 FDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@H](O)COc1ccccc1 ZINC000826499671 607876834 /nfs/dbraw/zinc/87/68/34/607876834.db2.gz RSLQYNTWJYGKKM-LLVKDONJSA-N -1 3 357.326 1.594 20 5 FDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@H](O)COc1ccccc1 ZINC000826499671 607876835 /nfs/dbraw/zinc/87/68/35/607876835.db2.gz RSLQYNTWJYGKKM-LLVKDONJSA-N -1 3 357.326 1.594 20 5 FDBDHM CN1Cc2ccccc2[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000826053773 607935625 /nfs/dbraw/zinc/93/56/25/607935625.db2.gz YYJZIGGEOWVRTB-CYBMUJFWSA-N -1 3 352.358 1.769 20 5 FDBDHM CN1Cc2ccccc2[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 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LVMSTZMODUYVFT-UHFFFAOYSA-N -1 3 360.355 1.600 20 5 FDBDHM CN(c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736843431 599039660 /nfs/dbraw/zinc/03/96/60/599039660.db2.gz LVMSTZMODUYVFT-UHFFFAOYSA-N -1 3 360.355 1.600 20 5 FDBDHM Cc1ccnc(N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)c1[N+](=O)[O-] ZINC000737437779 599041600 /nfs/dbraw/zinc/04/16/00/599041600.db2.gz QRORPROMKHJSNY-UHFFFAOYSA-N -1 3 358.387 1.685 20 5 FDBDHM Cc1ccnc(N2CCc3c(sc(N)c3-c3nn[n-]n3)C2)c1[N+](=O)[O-] ZINC000737437779 599041603 /nfs/dbraw/zinc/04/16/03/599041603.db2.gz QRORPROMKHJSNY-UHFFFAOYSA-N -1 3 358.387 1.685 20 5 FDBDHM O=[N+]([O-])c1ccc(N(CCO)CCc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823639545 599059008 /nfs/dbraw/zinc/05/90/08/599059008.db2.gz DBDOKFMMDVWOCG-UHFFFAOYSA-N -1 3 354.370 1.816 20 5 FDBDHM O=[N+]([O-])c1ccc(N(CCO)CCc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823639545 599059009 /nfs/dbraw/zinc/05/90/09/599059009.db2.gz DBDOKFMMDVWOCG-UHFFFAOYSA-N -1 3 354.370 1.816 20 5 FDBDHM O=c1c([N+](=O)[O-])cccn1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000738372129 599165439 /nfs/dbraw/zinc/16/54/39/599165439.db2.gz OIJAYYAHNXTGJF-UHFFFAOYSA-N -1 3 366.297 1.035 20 5 FDBDHM O=c1c([N+](=O)[O-])cccn1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000738372129 599165441 /nfs/dbraw/zinc/16/54/41/599165441.db2.gz OIJAYYAHNXTGJF-UHFFFAOYSA-N -1 3 366.297 1.035 20 5 FDBDHM O=[N+]([O-])c1ccc(NCc2cccc(-n3cncn3)c2)c(-c2nnn[n-]2)c1 ZINC000738370792 599269819 /nfs/dbraw/zinc/26/98/19/599269819.db2.gz QLCXJAVJRCSIHH-UHFFFAOYSA-N -1 3 363.341 1.968 20 5 FDBDHM O=[N+]([O-])c1ccc(NCc2cccc(-n3cncn3)c2)c(-c2nn[n-]n2)c1 ZINC000738370792 599269821 /nfs/dbraw/zinc/26/98/21/599269821.db2.gz QLCXJAVJRCSIHH-UHFFFAOYSA-N -1 3 363.341 1.968 20 5 FDBDHM CN(C[C@@H]1OCCc2ccccc21)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736792242 598246618 /nfs/dbraw/zinc/24/66/18/598246618.db2.gz QDRAEMYXMOTYRB-HNNXBMFYSA-N -1 3 367.369 1.920 20 5 FDBDHM CN(C[C@@H]1OCCc2ccccc21)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736792242 598246620 /nfs/dbraw/zinc/24/66/20/598246620.db2.gz QDRAEMYXMOTYRB-HNNXBMFYSA-N -1 3 367.369 1.920 20 5 FDBDHM CCCC(=O)N[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736409840 598247555 /nfs/dbraw/zinc/24/75/55/598247555.db2.gz FWCYQJMNMFSUBK-NSHDSACASA-N -1 3 359.390 1.660 20 5 FDBDHM CCCC(=O)N[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736409840 598247556 /nfs/dbraw/zinc/24/75/56/598247556.db2.gz FWCYQJMNMFSUBK-NSHDSACASA-N -1 3 359.390 1.660 20 5 FDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737500878 598303462 /nfs/dbraw/zinc/30/34/62/598303462.db2.gz QWNOJBANNOEFCS-UHFFFAOYSA-N -1 3 357.305 1.547 20 5 FDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737500878 598303464 /nfs/dbraw/zinc/30/34/64/598303464.db2.gz QWNOJBANNOEFCS-UHFFFAOYSA-N -1 3 357.305 1.547 20 5 FDBDHM O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737973109 598306794 /nfs/dbraw/zinc/30/67/94/598306794.db2.gz BDGMNHFYUREZEU-UHFFFAOYSA-N -1 3 356.317 1.773 20 5 FDBDHM O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737973109 598306795 /nfs/dbraw/zinc/30/67/95/598306795.db2.gz BDGMNHFYUREZEU-UHFFFAOYSA-N -1 3 356.317 1.773 20 5 FDBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000736815445 598327686 /nfs/dbraw/zinc/32/76/86/598327686.db2.gz ZSMQFTJEOVJJCY-UHFFFAOYSA-N -1 3 370.373 1.365 20 5 FDBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000736815445 598327688 /nfs/dbraw/zinc/32/76/88/598327688.db2.gz ZSMQFTJEOVJJCY-UHFFFAOYSA-N -1 3 370.373 1.365 20 5 FDBDHM Cc1nn(C)c(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000737509176 598485476 /nfs/dbraw/zinc/48/54/76/598485476.db2.gz LNSLYAPRKUMVIG-VIFPVBQESA-N -1 3 357.330 1.735 20 5 FDBDHM Cc1nn(C)c(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000737509176 598485478 /nfs/dbraw/zinc/48/54/78/598485478.db2.gz LNSLYAPRKUMVIG-VIFPVBQESA-N -1 3 357.330 1.735 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CC[C@H](Nc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738370992 598501316 /nfs/dbraw/zinc/50/13/16/598501316.db2.gz ZPRTVZKSLLVQGW-LBPRGKRZSA-N -1 3 352.358 1.861 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CC[C@H](Nc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738370992 598501318 /nfs/dbraw/zinc/50/13/18/598501318.db2.gz ZPRTVZKSLLVQGW-LBPRGKRZSA-N -1 3 352.358 1.861 20 5 FDBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738100958 598570332 /nfs/dbraw/zinc/57/03/32/598570332.db2.gz BTVKGILTFHJCFS-UHFFFAOYSA-N -1 3 360.280 1.983 20 5 FDBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738100958 598570334 /nfs/dbraw/zinc/57/03/34/598570334.db2.gz BTVKGILTFHJCFS-UHFFFAOYSA-N -1 3 360.280 1.983 20 5 FDBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000737959751 598588828 /nfs/dbraw/zinc/58/88/28/598588828.db2.gz AIGWFQMRFSPHDT-UHFFFAOYSA-N -1 3 368.353 1.513 20 5 FDBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000737959751 598588829 /nfs/dbraw/zinc/58/88/29/598588829.db2.gz AIGWFQMRFSPHDT-UHFFFAOYSA-N -1 3 368.353 1.513 20 5 FDBDHM O=[N+]([O-])c1ccc(OCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000738367525 598594693 /nfs/dbraw/zinc/59/46/93/598594693.db2.gz UOWDMFSBYWFYHP-UHFFFAOYSA-N -1 3 372.301 1.569 20 5 FDBDHM O=[N+]([O-])c1ccc(OCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000738367525 598594694 /nfs/dbraw/zinc/59/46/94/598594694.db2.gz UOWDMFSBYWFYHP-UHFFFAOYSA-N -1 3 372.301 1.569 20 5 FDBDHM CCc1n[nH]c(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000736668113 598606584 /nfs/dbraw/zinc/60/65/84/598606584.db2.gz WBPSXHWHNSYMHD-QMMMGPOBSA-N -1 3 356.346 1.551 20 5 FDBDHM O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826416419 607362823 /nfs/dbraw/zinc/36/28/23/607362823.db2.gz YUYROGUOGJKPDT-UHFFFAOYSA-N -1 3 353.294 1.815 20 5 FDBDHM O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826416419 607362825 /nfs/dbraw/zinc/36/28/25/607362825.db2.gz 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CCS(=O)(=O)C[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736656893 598818673 /nfs/dbraw/zinc/81/86/73/598818673.db2.gz OHLXPSLNJWOLNF-VIFPVBQESA-N -1 3 354.392 1.034 20 5 FDBDHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCS2)c1ccc([N+](=O)[O-])s1 ZINC000738205849 599299521 /nfs/dbraw/zinc/29/95/21/599299521.db2.gz FDTVKWBEJSTBEQ-UHFFFAOYSA-N -1 3 364.372 1.391 20 5 FDBDHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCS2)c1ccc([N+](=O)[O-])s1 ZINC000738205849 599299522 /nfs/dbraw/zinc/29/95/22/599299522.db2.gz FDTVKWBEJSTBEQ-UHFFFAOYSA-N -1 3 364.372 1.391 20 5 FDBDHM COc1ccc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(OC)c1 ZINC000821794473 599319906 /nfs/dbraw/zinc/31/99/06/599319906.db2.gz IHXPXDGZGBAPDU-UHFFFAOYSA-N -1 3 371.357 1.824 20 5 FDBDHM COc1ccc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(OC)c1 ZINC000821794473 599319908 /nfs/dbraw/zinc/31/99/08/599319908.db2.gz IHXPXDGZGBAPDU-UHFFFAOYSA-N -1 3 371.357 1.824 20 5 FDBDHM Cc1ccccc1OCCN(C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822366575 599339972 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ZINC000826206161 607594515 /nfs/dbraw/zinc/59/45/15/607594515.db2.gz GOEMFBRYIJMHNC-UHFFFAOYSA-N -1 3 370.325 1.723 20 5 FDBDHM COc1ccc(COC(=O)c2cc([N+](=O)[O-])cnc2C)cc1-c1nnn[n-]1 ZINC000826205992 607599018 /nfs/dbraw/zinc/59/90/18/607599018.db2.gz XSFZMWWQODHONT-UHFFFAOYSA-N -1 3 370.325 1.844 20 5 FDBDHM COc1ccc(COC(=O)c2cc([N+](=O)[O-])cnc2C)cc1-c1nn[n-]n1 ZINC000826205992 607599019 /nfs/dbraw/zinc/59/90/19/607599019.db2.gz XSFZMWWQODHONT-UHFFFAOYSA-N -1 3 370.325 1.844 20 5 FDBDHM CC(C)[C@@](C)(CNC(=O)[O-])NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000738767898 603079169 /nfs/dbraw/zinc/07/91/69/603079169.db2.gz AKYUOQUATDCHJQ-QGZVFWFLSA-N -1 3 364.402 1.756 20 5 FDBDHM COc1ccc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826201496 607628166 /nfs/dbraw/zinc/62/81/66/607628166.db2.gz SDOFYXOSTFWOQX-UHFFFAOYSA-N -1 3 369.341 1.296 20 5 FDBDHM COc1ccc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826201496 607628167 /nfs/dbraw/zinc/62/81/67/607628167.db2.gz 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361.314 1.324 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@H](O)COCc1ccco1 ZINC000826497820 607873383 /nfs/dbraw/zinc/87/33/83/607873383.db2.gz VXQYYXNZLQOFCW-LLVKDONJSA-N -1 3 361.314 1.324 20 5 FDBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000826242938 607874091 /nfs/dbraw/zinc/87/40/91/607874091.db2.gz MROOVPUYVOQTAU-CYBMUJFWSA-N -1 3 359.346 1.028 20 5 FDBDHM C[C@](O)(CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824677948 607967916 /nfs/dbraw/zinc/96/79/16/607967916.db2.gz JOXUTSYAHLJUQU-HNNXBMFYSA-N -1 3 359.321 1.629 20 5 FDBDHM C[C@](O)(CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824677948 607967917 /nfs/dbraw/zinc/96/79/17/607967917.db2.gz JOXUTSYAHLJUQU-HNNXBMFYSA-N -1 3 359.321 1.629 20 5 FDBDHM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(-c2nnn[n-]2)cn1 ZINC000826459393 608002732 /nfs/dbraw/zinc/00/27/32/608002732.db2.gz ICLPEXAZHWBCHB-UHFFFAOYSA-N -1 3 351.286 1.299 20 5 FDBDHM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(-c2nn[n-]n2)cn1 ZINC000826459393 608002733 /nfs/dbraw/zinc/00/27/33/608002733.db2.gz ICLPEXAZHWBCHB-UHFFFAOYSA-N -1 3 351.286 1.299 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCC(O)(C(F)(F)F)CC2)c(-c2nnn[n-]2)c1 ZINC000826501005 608016676 /nfs/dbraw/zinc/01/66/76/608016676.db2.gz VIOMNIVUOUOVJP-UHFFFAOYSA-N -1 3 359.268 1.064 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCC(O)(C(F)(F)F)CC2)c(-c2nn[n-]n2)c1 ZINC000826501005 608016677 /nfs/dbraw/zinc/01/66/77/608016677.db2.gz VIOMNIVUOUOVJP-UHFFFAOYSA-N -1 3 359.268 1.064 20 5 FDBDHM CN(C[C@@H](O)C1CC1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825902391 608122712 /nfs/dbraw/zinc/12/27/12/608122712.db2.gz SUZDNYCGMGRQGK-CQSZACIVSA-N -1 3 355.358 1.530 20 5 FDBDHM CN(C[C@@H](O)C1CC1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825902391 608122713 /nfs/dbraw/zinc/12/27/13/608122713.db2.gz SUZDNYCGMGRQGK-CQSZACIVSA-N -1 3 355.358 1.530 20 5 FDBDHM C[C@@H]1OCC[C@H]1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl 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598499274 /nfs/dbraw/zinc/49/92/74/598499274.db2.gz MRVMWUDRLPDCPW-VIFPVBQESA-N -1 3 357.334 1.245 20 5 FDBDHM Cc1noc([C@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)n1 ZINC000737534823 598499276 /nfs/dbraw/zinc/49/92/76/598499276.db2.gz MRVMWUDRLPDCPW-VIFPVBQESA-N -1 3 357.334 1.245 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](Nc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738370990 598501387 /nfs/dbraw/zinc/50/13/87/598501387.db2.gz ZPRTVZKSLLVQGW-GFCCVEGCSA-N -1 3 352.358 1.861 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](Nc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738370990 598501388 /nfs/dbraw/zinc/50/13/88/598501388.db2.gz ZPRTVZKSLLVQGW-GFCCVEGCSA-N -1 3 352.358 1.861 20 5 FDBDHM CC(C)c1nc2n(n1)C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC000735942259 598502076 /nfs/dbraw/zinc/50/20/76/598502076.db2.gz GTEZQYREXDVHDS-SECBINFHSA-N -1 3 370.377 1.312 20 5 FDBDHM CC(C)c1nc2n(n1)C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)CC2 ZINC000735942259 598502078 /nfs/dbraw/zinc/50/20/78/598502078.db2.gz 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553081459 /nfs/dbraw/zinc/08/14/59/553081459.db2.gz RKHAQQCAGPNQDN-LBPRGKRZSA-N -1 3 353.400 1.335 20 5 FDBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCN(C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000601303663 553372109 /nfs/dbraw/zinc/37/21/09/553372109.db2.gz HHVUGVGUBYBSHY-NSHDSACASA-N -1 3 357.407 1.805 20 5 FDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000608876576 554326836 /nfs/dbraw/zinc/32/68/36/554326836.db2.gz TZZFUJWDCYXFJK-UHFFFAOYSA-N -1 3 350.356 1.922 20 5 FDBDHM CCC[C@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609742230 554417620 /nfs/dbraw/zinc/41/76/20/554417620.db2.gz KXUQFRWVEXCCFJ-NSHDSACASA-N -1 3 358.420 1.361 20 5 FDBDHM COC(=O)CCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])c(OC)c2)s1 ZINC000609872672 554431908 /nfs/dbraw/zinc/43/19/08/554431908.db2.gz PZDSSUMJEAJEHU-UHFFFAOYSA-N -1 3 366.355 1.813 20 5 FDBDHM CC(C)c1nc(S(=O)(=O)[N-]CCOc2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000610470084 554513607 /nfs/dbraw/zinc/51/36/07/554513607.db2.gz OXCAREYDNVZSLH-UHFFFAOYSA-N -1 3 354.388 1.799 20 5 FDBDHM CCOC(=O)c1ncc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[n-]1 ZINC000618919284 555696136 /nfs/dbraw/zinc/69/61/36/555696136.db2.gz FZPBUROTPIQRFK-UHFFFAOYSA-N -1 3 370.325 1.933 20 5 FDBDHM CCOC(=O)c1nc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c[n-]1 ZINC000618919284 555696140 /nfs/dbraw/zinc/69/61/40/555696140.db2.gz FZPBUROTPIQRFK-UHFFFAOYSA-N -1 3 370.325 1.933 20 5 FDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C(N)=O)c1ccccc1 ZINC000619474707 555783142 /nfs/dbraw/zinc/78/31/42/555783142.db2.gz UJBLMHVLGSQELX-CYBMUJFWSA-N -1 3 365.367 1.108 20 5 FDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](CCO)C1CCOCC1 ZINC000619496835 555789429 /nfs/dbraw/zinc/78/94/29/555789429.db2.gz UNOAWZCKRSHVKB-GFCCVEGCSA-N -1 3 374.415 1.059 20 5 FDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCO[C@H](C2CC2)C1 ZINC000619496966 555789509 /nfs/dbraw/zinc/78/95/09/555789509.db2.gz MDKLUUMFFZRJAO-YPMHNXCESA-N -1 3 356.400 1.839 20 5 FDBDHM CN1CCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000271780458 674381120 /nfs/dbraw/zinc/38/11/20/674381120.db2.gz RYXYALOGWVGCNI-JTQLQIEISA-N -1 3 367.349 1.986 20 5 FDBDHM C[N-]S(=O)(=O)c1ccc(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)cn1 ZINC000291137084 568063200 /nfs/dbraw/zinc/06/32/00/568063200.db2.gz XEGQRYYPTRYVNX-UHFFFAOYSA-N -1 3 355.376 1.028 20 5 FDBDHM COc1cc(-c2nnn[n-]2)ccc1OCCn1nc(C)c([N+](=O)[O-])c1C ZINC000737031413 598936560 /nfs/dbraw/zinc/93/65/60/598936560.db2.gz BRXKGHMWMSLGNP-UHFFFAOYSA-N -1 3 359.346 1.676 20 5 FDBDHM COc1cc(-c2nn[n-]n2)ccc1OCCn1nc(C)c([N+](=O)[O-])c1C ZINC000737031413 598936561 /nfs/dbraw/zinc/93/65/61/598936561.db2.gz BRXKGHMWMSLGNP-UHFFFAOYSA-N -1 3 359.346 1.676 20 5 FDBDHM Cc1cc(S(=O)(=O)N(C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000737280239 599018302 /nfs/dbraw/zinc/01/83/02/599018302.db2.gz OQIPYHHJSBBIBO-UHFFFAOYSA-N -1 3 374.382 1.908 20 5 FDBDHM Cc1cc(S(=O)(=O)N(C)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000737280239 599018305 /nfs/dbraw/zinc/01/83/05/599018305.db2.gz OQIPYHHJSBBIBO-UHFFFAOYSA-N -1 3 374.382 1.908 20 5 FDBDHM NC(=O)COc1cccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000822868803 599076493 /nfs/dbraw/zinc/07/64/93/599076493.db2.gz IGAHVDIJMACSJJ-UHFFFAOYSA-N -1 3 369.341 1.251 20 5 FDBDHM NC(=O)COc1cccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000822868803 599076496 /nfs/dbraw/zinc/07/64/96/599076496.db2.gz IGAHVDIJMACSJJ-UHFFFAOYSA-N -1 3 369.341 1.251 20 5 FDBDHM NC(=O)COc1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000822869143 599076869 /nfs/dbraw/zinc/07/68/69/599076869.db2.gz PCEGFZVQJHMEDY-UHFFFAOYSA-N -1 3 369.341 1.251 20 5 FDBDHM NC(=O)COc1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000822869143 599076872 /nfs/dbraw/zinc/07/68/72/599076872.db2.gz PCEGFZVQJHMEDY-UHFFFAOYSA-N -1 3 369.341 1.251 20 5 FDBDHM NC(=O)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737745406 599112436 /nfs/dbraw/zinc/11/24/36/599112436.db2.gz YGOYTIQJOKAVMV-ZDUSSCGKSA-N -1 3 368.309 1.158 20 5 FDBDHM NC(=O)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737745406 599112439 /nfs/dbraw/zinc/11/24/39/599112439.db2.gz YGOYTIQJOKAVMV-ZDUSSCGKSA-N -1 3 368.309 1.158 20 5 FDBDHM NC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737744152 599119512 /nfs/dbraw/zinc/11/95/12/599119512.db2.gz UXHOGKYARJZAOY-ZDUSSCGKSA-N -1 3 368.309 1.158 20 5 FDBDHM NC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737744152 599119513 /nfs/dbraw/zinc/11/95/13/599119513.db2.gz UXHOGKYARJZAOY-ZDUSSCGKSA-N -1 3 368.309 1.158 20 5 FDBDHM O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1cc(-c2nnn[n-]2)ccc1F ZINC000823656747 607305193 /nfs/dbraw/zinc/30/51/93/607305193.db2.gz GQVVQVDAQCSLEN-UHFFFAOYSA-N -1 3 350.697 1.777 20 5 FDBDHM O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000823656747 607305194 /nfs/dbraw/zinc/30/51/94/607305194.db2.gz GQVVQVDAQCSLEN-UHFFFAOYSA-N -1 3 350.697 1.777 20 5 FDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737482302 598279418 /nfs/dbraw/zinc/27/94/18/598279418.db2.gz HHTMUTRRKMCYIW-UHFFFAOYSA-N -1 3 360.309 1.082 20 5 FDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737482302 598279420 /nfs/dbraw/zinc/27/94/20/598279420.db2.gz HHTMUTRRKMCYIW-UHFFFAOYSA-N -1 3 360.309 1.082 20 5 FDBDHM CCc1nc2n(n1)C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC000736707166 598335451 /nfs/dbraw/zinc/33/54/51/598335451.db2.gz WXKMWKWEEGZDDG-SECBINFHSA-N -1 3 355.362 1.356 20 5 FDBDHM CCc1nc2n(n1)C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)CC2 ZINC000736707166 598335452 /nfs/dbraw/zinc/33/54/52/598335452.db2.gz WXKMWKWEEGZDDG-SECBINFHSA-N -1 3 355.362 1.356 20 5 FDBDHM Cc1cnn(C[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CCO2)c1 ZINC000737441686 598337799 /nfs/dbraw/zinc/33/77/99/598337799.db2.gz ABCUJTPNFXUCAO-CYBMUJFWSA-N -1 3 370.373 1.185 20 5 FDBDHM Cc1cnn(C[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CCO2)c1 ZINC000737441686 598337801 /nfs/dbraw/zinc/33/78/01/598337801.db2.gz ABCUJTPNFXUCAO-CYBMUJFWSA-N -1 3 370.373 1.185 20 5 FDBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000736190020 598381545 /nfs/dbraw/zinc/38/15/45/598381545.db2.gz DRNCBHGQGGEQHL-VIFPVBQESA-N -1 3 371.382 1.711 20 5 FDBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000736190020 598381546 /nfs/dbraw/zinc/38/15/46/598381546.db2.gz DRNCBHGQGGEQHL-VIFPVBQESA-N -1 3 371.382 1.711 20 5 FDBDHM Cc1nc(C[C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)no1 ZINC000737471882 598500454 /nfs/dbraw/zinc/50/04/54/598500454.db2.gz OUTSEDCVRCZPSD-JTQLQIEISA-N -1 3 371.361 1.320 20 5 FDBDHM Cc1nc(C[C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)no1 ZINC000737471882 598500456 /nfs/dbraw/zinc/50/04/56/598500456.db2.gz OUTSEDCVRCZPSD-JTQLQIEISA-N -1 3 371.361 1.320 20 5 FDBDHM Cc1nc(C[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)no1 ZINC000737471884 598501266 /nfs/dbraw/zinc/50/12/66/598501266.db2.gz OUTSEDCVRCZPSD-SNVBAGLBSA-N -1 3 371.361 1.320 20 5 FDBDHM Cc1nc(C[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)no1 ZINC000737471884 598501267 /nfs/dbraw/zinc/50/12/67/598501267.db2.gz OUTSEDCVRCZPSD-SNVBAGLBSA-N -1 3 371.361 1.320 20 5 FDBDHM O=[N+]([O-])c1cnc(NC[C@]2(O)CCCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738374212 598557816 /nfs/dbraw/zinc/55/78/16/598557816.db2.gz LBRZMCXGERNTLV-QGZVFWFLSA-N -1 3 367.369 1.806 20 5 FDBDHM O=[N+]([O-])c1cnc(NC[C@]2(O)CCCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000738374212 598557817 /nfs/dbraw/zinc/55/78/17/598557817.db2.gz LBRZMCXGERNTLV-QGZVFWFLSA-N -1 3 367.369 1.806 20 5 FDBDHM COc1cccc2c1OC[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC000737143717 598612918 /nfs/dbraw/zinc/61/29/18/598612918.db2.gz UEZXLVABDDVJTQ-SNVBAGLBSA-N -1 3 369.341 1.594 20 5 FDBDHM COc1cccc2c1OC[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC000737143717 598612919 /nfs/dbraw/zinc/61/29/19/598612919.db2.gz UEZXLVABDDVJTQ-SNVBAGLBSA-N -1 3 369.341 1.594 20 5 FDBDHM CC(=O)Nc1nnc(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC000735497732 598798561 /nfs/dbraw/zinc/79/85/61/598798561.db2.gz VBLULSSTQWSLPK-UHFFFAOYSA-N -1 3 364.372 1.736 20 5 FDBDHM CC(=O)Nc1nnc(Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)s1 ZINC000735497732 598798563 /nfs/dbraw/zinc/79/85/63/598798563.db2.gz VBLULSSTQWSLPK-UHFFFAOYSA-N -1 3 364.372 1.736 20 5 FDBDHM CCN(CC)C(=O)[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736521335 598816611 /nfs/dbraw/zinc/81/66/11/598816611.db2.gz FTBMDKPJOYIXNI-CYBMUJFWSA-N -1 3 359.390 1.612 20 5 FDBDHM CCN(CC)C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736521335 598816613 /nfs/dbraw/zinc/81/66/13/598816613.db2.gz FTBMDKPJOYIXNI-CYBMUJFWSA-N -1 3 359.390 1.612 20 5 FDBDHM CC(C)(C)OC(=O)N1CC(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000735624989 599347230 /nfs/dbraw/zinc/34/72/30/599347230.db2.gz YNHNMROLGAMJIR-UHFFFAOYSA-N -1 3 361.362 1.806 20 5 FDBDHM CC(C)(C)OC(=O)N1CC(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000735624989 599347231 /nfs/dbraw/zinc/34/72/31/599347231.db2.gz YNHNMROLGAMJIR-UHFFFAOYSA-N -1 3 361.362 1.806 20 5 FDBDHM C[S@](=O)CCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821943516 599547606 /nfs/dbraw/zinc/54/76/06/599547606.db2.gz VNMUNKGZVQIJDN-VWLOTQADSA-N -1 3 361.387 1.504 20 5 FDBDHM C[S@](=O)CCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821943516 599547607 /nfs/dbraw/zinc/54/76/07/599547607.db2.gz VNMUNKGZVQIJDN-VWLOTQADSA-N -1 3 361.387 1.504 20 5 FDBDHM O=C([O-])[C@]1(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCCN(Cc2ccccc2)C1 ZINC000833129296 601730710 /nfs/dbraw/zinc/73/07/10/601730710.db2.gz ZYZQVZVFSLZARI-SFHVURJKSA-N -1 3 372.381 1.772 20 5 FDBDHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826471613 607683738 /nfs/dbraw/zinc/68/37/38/607683738.db2.gz GPVYZSYJABPPJK-UHFFFAOYSA-N -1 3 368.357 1.065 20 5 FDBDHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826471613 607683739 /nfs/dbraw/zinc/68/37/39/607683739.db2.gz GPVYZSYJABPPJK-UHFFFAOYSA-N -1 3 368.357 1.065 20 5 FDBDHM O=C([O-])CN(CCN1CCOCC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833248551 604789530 /nfs/dbraw/zinc/78/95/30/604789530.db2.gz RONRVLKWDIWVAK-UHFFFAOYSA-N -1 3 357.794 1.467 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(O[C@H]2CCOC2)CC1 ZINC000823629647 606244086 /nfs/dbraw/zinc/24/40/86/606244086.db2.gz CZYRXTSGQWUVPW-ZDUSSCGKSA-N -1 3 360.374 1.549 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC(O[C@H]2CCOC2)CC1 ZINC000823629647 606244087 /nfs/dbraw/zinc/24/40/87/606244087.db2.gz CZYRXTSGQWUVPW-ZDUSSCGKSA-N -1 3 360.374 1.549 20 5 FDBDHM C[C@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497431 606359587 /nfs/dbraw/zinc/35/95/87/606359587.db2.gz RHLBZYGNZYYPAG-JTQLQIEISA-N -1 3 357.330 1.666 20 5 FDBDHM C[C@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497431 606359589 /nfs/dbraw/zinc/35/95/89/606359589.db2.gz RHLBZYGNZYYPAG-JTQLQIEISA-N -1 3 357.330 1.666 20 5 FDBDHM CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821427243 606387679 /nfs/dbraw/zinc/38/76/79/606387679.db2.gz POTVQEGCJQRLCP-UHFFFAOYSA-N -1 3 372.341 1.869 20 5 FDBDHM CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821427243 606387681 /nfs/dbraw/zinc/38/76/81/606387681.db2.gz POTVQEGCJQRLCP-UHFFFAOYSA-N -1 3 372.341 1.869 20 5 FDBDHM O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc(-c2nnn[n-]2)cs1 ZINC000823201152 606486302 /nfs/dbraw/zinc/48/63/02/606486302.db2.gz BBDRLCQVVBGDNY-UHFFFAOYSA-N -1 3 359.371 1.678 20 5 FDBDHM O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc(-c2nn[n-]n2)cs1 ZINC000823201152 606486303 /nfs/dbraw/zinc/48/63/03/606486303.db2.gz BBDRLCQVVBGDNY-UHFFFAOYSA-N -1 3 359.371 1.678 20 5 FDBDHM CO[C@@H](C)c1nc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cs1 ZINC000821675290 606593673 /nfs/dbraw/zinc/59/36/73/606593673.db2.gz HZMTYWNKHFJNHM-ZETCQYMHSA-N -1 3 362.375 1.946 20 5 FDBDHM CO[C@@H](C)c1nc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cs1 ZINC000821675290 606593675 /nfs/dbraw/zinc/59/36/75/606593675.db2.gz HZMTYWNKHFJNHM-ZETCQYMHSA-N -1 3 362.375 1.946 20 5 FDBDHM O=C(C1CCCC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000822916958 606792191 /nfs/dbraw/zinc/79/21/91/606792191.db2.gz JWTUQXKBLREHDX-GFCCVEGCSA-N -1 3 371.401 1.978 20 5 FDBDHM O=C(C1CCCC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000822916958 606792193 /nfs/dbraw/zinc/79/21/93/606792193.db2.gz JWTUQXKBLREHDX-GFCCVEGCSA-N -1 3 371.401 1.978 20 5 FDBDHM O=C(C1CCCC1)N1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000822917741 606793710 /nfs/dbraw/zinc/79/37/10/606793710.db2.gz WBYCLSQKTLVLLZ-NSHDSACASA-N -1 3 372.389 1.373 20 5 FDBDHM O=C(C1CCCC1)N1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000822917741 606793712 /nfs/dbraw/zinc/79/37/12/606793712.db2.gz WBYCLSQKTLVLLZ-NSHDSACASA-N -1 3 372.389 1.373 20 5 FDBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000822907628 606900004 /nfs/dbraw/zinc/90/00/04/606900004.db2.gz WHRGENCKCNCIEP-UHFFFAOYSA-N -1 3 358.289 1.853 20 5 FDBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000822907628 606900005 /nfs/dbraw/zinc/90/00/05/606900005.db2.gz WHRGENCKCNCIEP-UHFFFAOYSA-N -1 3 358.289 1.853 20 5 FDBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000823647951 606980927 /nfs/dbraw/zinc/98/09/27/606980927.db2.gz QSHSEJHOWCKZLI-UHFFFAOYSA-N -1 3 363.330 1.888 20 5 FDBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000823647951 606980928 /nfs/dbraw/zinc/98/09/28/606980928.db2.gz QSHSEJHOWCKZLI-UHFFFAOYSA-N -1 3 363.330 1.888 20 5 FDBDHM O=[N+]([O-])c1ncccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823651117 607143624 /nfs/dbraw/zinc/14/36/24/607143624.db2.gz GKIUXBWSPNMWNJ-UHFFFAOYSA-N -1 3 366.290 1.077 20 5 FDBDHM O=[N+]([O-])c1ncccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823651117 607143626 /nfs/dbraw/zinc/14/36/26/607143626.db2.gz GKIUXBWSPNMWNJ-UHFFFAOYSA-N -1 3 366.290 1.077 20 5 FDBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCO[C@]3(CCSC3)C2)c(-c2nnn[n-]2)c1 ZINC000823651467 607177061 /nfs/dbraw/zinc/17/70/61/607177061.db2.gz KUHIVLPNBJRJCB-YMTOWFKASA-N -1 3 363.403 1.637 20 5 FDBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCO[C@]3(CCSC3)C2)c(-c2nn[n-]n2)c1 ZINC000823651467 607177062 /nfs/dbraw/zinc/17/70/62/607177062.db2.gz KUHIVLPNBJRJCB-YMTOWFKASA-N -1 3 363.403 1.637 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CCC(Cn3ccnn3)CC2)c(-c2nnn[n-]2)c1 ZINC000826498423 607811212 /nfs/dbraw/zinc/81/12/12/607811212.db2.gz UHXUIRMRLGCMRS-UHFFFAOYSA-N -1 3 355.362 1.283 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CCC(Cn3ccnn3)CC2)c(-c2nn[n-]n2)c1 ZINC000826498423 607811213 /nfs/dbraw/zinc/81/12/13/607811213.db2.gz UHXUIRMRLGCMRS-UHFFFAOYSA-N -1 3 355.362 1.283 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](CO)C[C@H](O)c1ccccc1 ZINC000826497852 607821057 /nfs/dbraw/zinc/82/10/57/607821057.db2.gz WQZDEUQZXDBOTG-BBRMVZONSA-N -1 3 370.369 1.671 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](CO)C[C@H](O)c1ccccc1 ZINC000826497852 607821058 /nfs/dbraw/zinc/82/10/58/607821058.db2.gz WQZDEUQZXDBOTG-BBRMVZONSA-N -1 3 370.369 1.671 20 5 FDBDHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000826255098 607876418 /nfs/dbraw/zinc/87/64/18/607876418.db2.gz LNEGOTNKMYEEKV-AWEZNQCLSA-N -1 3 371.353 1.902 20 5 FDBDHM O=[N+]([O-])c1cccc([C@H](O)COc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC000826499791 607876699 /nfs/dbraw/zinc/87/66/99/607876699.db2.gz XNWPNMNKHPBIFS-CYBMUJFWSA-N -1 3 372.297 1.796 20 5 FDBDHM O=[N+]([O-])c1cccc([C@H](O)COc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC000826499791 607876700 /nfs/dbraw/zinc/87/67/00/607876700.db2.gz XNWPNMNKHPBIFS-CYBMUJFWSA-N -1 3 372.297 1.796 20 5 FDBDHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000826278565 607877322 /nfs/dbraw/zinc/87/73/22/607877322.db2.gz JFQARPDNTZDLFI-CQSZACIVSA-N -1 3 371.353 1.902 20 5 FDBDHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000826278565 607877323 /nfs/dbraw/zinc/87/73/23/607877323.db2.gz JFQARPDNTZDLFI-CQSZACIVSA-N -1 3 371.353 1.902 20 5 FDBDHM C[C@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)CO1 ZINC000824994460 608363920 /nfs/dbraw/zinc/36/39/20/608363920.db2.gz UNCGYTVJVONODA-UWVGGRQHSA-N -1 3 355.358 1.937 20 5 FDBDHM C[C@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)CO1 ZINC000824994460 608363922 /nfs/dbraw/zinc/36/39/22/608363922.db2.gz UNCGYTVJVONODA-UWVGGRQHSA-N -1 3 355.358 1.937 20 5 FDBDHM O=C(CCn1cc([N+](=O)[O-])cn1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826409764 608445524 /nfs/dbraw/zinc/44/55/24/608445524.db2.gz NZIXWRFIXGHELA-UHFFFAOYSA-N -1 3 361.293 1.244 20 5 FDBDHM O=C(CCn1cc([N+](=O)[O-])cn1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826409764 608445525 /nfs/dbraw/zinc/44/55/25/608445525.db2.gz NZIXWRFIXGHELA-UHFFFAOYSA-N -1 3 361.293 1.244 20 5 FDBDHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)ncn1 ZINC000826260535 608496633 /nfs/dbraw/zinc/49/66/33/608496633.db2.gz SRJJMBQKKCPSAB-UHFFFAOYSA-N 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O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCN(Cc2ccco2)CC1 ZINC000826497510 609608156 /nfs/dbraw/zinc/60/81/56/609608156.db2.gz JQHFPCNCINPFEL-UHFFFAOYSA-N -1 3 355.358 1.690 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCN(Cc2ccco2)CC1 ZINC000826497510 609608158 /nfs/dbraw/zinc/60/81/58/609608158.db2.gz JQHFPCNCINPFEL-UHFFFAOYSA-N -1 3 355.358 1.690 20 5 FDBDHM CC[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000276035950 674690657 /nfs/dbraw/zinc/69/06/57/674690657.db2.gz WTRNTWDCRPPTAR-ZETCQYMHSA-N -1 3 353.194 1.407 20 5 FDBDHM Cc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)n1 ZINC000131154288 671801584 /nfs/dbraw/zinc/80/15/84/671801584.db2.gz TZQDMOKOPXXUPH-UHFFFAOYSA-N -1 3 355.351 1.755 20 5 FDBDHM CN(C)[C@@]1(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCSC1 ZINC000267181734 673265240 /nfs/dbraw/zinc/26/52/40/673265240.db2.gz XNAIGFRFXHVVKI-CYBMUJFWSA-N -1 3 363.436 1.450 20 5 FDBDHM C[C@@H]1C[C@@H]1N1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000331606884 676732753 /nfs/dbraw/zinc/73/27/53/676732753.db2.gz ZVJBKHQIQDNUAN-PTRXPTGYSA-N -1 3 373.818 1.536 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CN3CCCC[C@H]3CO2)c(F)c1 ZINC000362065447 676907678 /nfs/dbraw/zinc/90/76/78/676907678.db2.gz SOOKYDPNFNIHAM-QWHCGFSZSA-N -1 3 373.406 1.266 20 5 FDBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@]1(O)CCOC1 ZINC000416448807 679625431 /nfs/dbraw/zinc/62/54/31/679625431.db2.gz UQQXHOSCHGUGQQ-NSHDSACASA-N -1 3 370.305 1.043 20 5 FDBDHM COC[C@@H](O)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416452225 679627758 /nfs/dbraw/zinc/62/77/58/679627758.db2.gz ORGPLEXMOJRQNE-VIFPVBQESA-N -1 3 372.321 1.289 20 5 FDBDHM O=C1[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]2CCCCN12 ZINC000416517662 679645821 /nfs/dbraw/zinc/64/58/21/679645821.db2.gz SEOUMRMRQFYDLP-CABZTGNLSA-N -1 3 357.363 1.166 20 5 FDBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000427147291 680968469 /nfs/dbraw/zinc/96/84/69/680968469.db2.gz 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Cc1cccc(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000737386174 599214649 /nfs/dbraw/zinc/21/46/49/599214649.db2.gz WSJNVNVWHWRPAR-UHFFFAOYSA-N -1 3 368.353 1.892 20 5 FDBDHM CN(Cc1ccc2c(c1)OCCO2)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821611982 599252345 /nfs/dbraw/zinc/25/23/45/599252345.db2.gz DBNCSXIKZJOZML-UHFFFAOYSA-N -1 3 369.341 1.578 20 5 FDBDHM CN(Cc1ccc2c(c1)OCCO2)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821611982 599252349 /nfs/dbraw/zinc/25/23/49/599252349.db2.gz DBNCSXIKZJOZML-UHFFFAOYSA-N -1 3 369.341 1.578 20 5 FDBDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])nc1 ZINC000737002243 599264869 /nfs/dbraw/zinc/26/48/69/599264869.db2.gz MTROJLLAIYKSBI-UHFFFAOYSA-N -1 3 355.358 1.823 20 5 FDBDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])nc1 ZINC000737002243 599264870 /nfs/dbraw/zinc/26/48/70/599264870.db2.gz MTROJLLAIYKSBI-UHFFFAOYSA-N -1 3 355.358 1.823 20 5 FDBDHM CC1(C)CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000736212670 599272750 /nfs/dbraw/zinc/27/27/50/599272750.db2.gz CZMUVMKGCIOJQU-UHFFFAOYSA-N -1 3 355.358 1.938 20 5 FDBDHM CC1(C)CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000736212670 599272752 /nfs/dbraw/zinc/27/27/52/599272752.db2.gz CZMUVMKGCIOJQU-UHFFFAOYSA-N -1 3 355.358 1.938 20 5 FDBDHM CCOC(=O)N1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000821334308 599284128 /nfs/dbraw/zinc/28/41/28/599284128.db2.gz LREYFXHEXQVZNT-UHFFFAOYSA-N -1 3 362.350 1.203 20 5 FDBDHM CCOC(=O)N1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000821334308 599284129 /nfs/dbraw/zinc/28/41/29/599284129.db2.gz LREYFXHEXQVZNT-UHFFFAOYSA-N -1 3 362.350 1.203 20 5 FDBDHM O=[N+]([O-])c1cc(N2CCN(Cc3ccccn3)CC2)ccc1-c1nnn[n-]1 ZINC000823634693 607345842 /nfs/dbraw/zinc/34/58/42/607345842.db2.gz KCFOABUVBJAXOA-UHFFFAOYSA-N -1 3 366.385 1.492 20 5 FDBDHM O=[N+]([O-])c1cc(N2CCN(Cc3ccccn3)CC2)ccc1-c1nn[n-]n1 ZINC000823634693 607345844 /nfs/dbraw/zinc/34/58/44/607345844.db2.gz KCFOABUVBJAXOA-UHFFFAOYSA-N -1 3 366.385 1.492 20 5 FDBDHM Cc1nn(CCC(=O)Oc2ccc(-c3nnn[n-]3)cc2)c(C)c1[N+](=O)[O-] ZINC000737513458 598326370 /nfs/dbraw/zinc/32/63/70/598326370.db2.gz OJNUDAMLAASLBU-UHFFFAOYSA-N -1 3 357.330 1.584 20 5 FDBDHM Cc1nn(CCC(=O)Oc2ccc(-c3nn[n-]n3)cc2)c(C)c1[N+](=O)[O-] ZINC000737513458 598326372 /nfs/dbraw/zinc/32/63/72/598326372.db2.gz OJNUDAMLAASLBU-UHFFFAOYSA-N -1 3 357.330 1.584 20 5 FDBDHM C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736098520 598326978 /nfs/dbraw/zinc/32/69/78/598326978.db2.gz RMDZCYWHPQQJMC-JTQLQIEISA-N -1 3 370.373 1.584 20 5 FDBDHM C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736098520 598326980 /nfs/dbraw/zinc/32/69/80/598326980.db2.gz RMDZCYWHPQQJMC-JTQLQIEISA-N -1 3 370.373 1.584 20 5 FDBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000821765566 607352654 /nfs/dbraw/zinc/35/26/54/607352654.db2.gz GKQAYBJZKTYVMR-UHFFFAOYSA-N -1 3 372.345 1.882 20 5 FDBDHM CN1C(=O)CCc2cc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc21 ZINC000736848175 598502060 /nfs/dbraw/zinc/50/20/60/598502060.db2.gz ZLUWJXLQUHLVPI-UHFFFAOYSA-N -1 3 366.341 1.823 20 5 FDBDHM CN1C(=O)CCc2cc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)ccc21 ZINC000736848175 598502062 /nfs/dbraw/zinc/50/20/62/598502062.db2.gz ZLUWJXLQUHLVPI-UHFFFAOYSA-N -1 3 366.341 1.823 20 5 FDBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737282880 598512998 /nfs/dbraw/zinc/51/29/98/598512998.db2.gz KOAIVGYFVXVAPQ-UHFFFAOYSA-N -1 3 369.341 1.747 20 5 FDBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737282880 598512999 /nfs/dbraw/zinc/51/29/99/598512999.db2.gz KOAIVGYFVXVAPQ-UHFFFAOYSA-N -1 3 369.341 1.747 20 5 FDBDHM Nc1c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc(F)cc1[N+](=O)[O-] ZINC000737773221 598599911 /nfs/dbraw/zinc/59/99/11/598599911.db2.gz JXLAGWILQTVULG-UHFFFAOYSA-N -1 3 361.268 1.888 20 5 FDBDHM Nc1c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc(F)cc1[N+](=O)[O-] ZINC000737773221 598599913 /nfs/dbraw/zinc/59/99/13/598599913.db2.gz JXLAGWILQTVULG-UHFFFAOYSA-N -1 3 361.268 1.888 20 5 FDBDHM Cc1c(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)cccc1[N+](=O)[O-] ZINC000737209761 598615532 /nfs/dbraw/zinc/61/55/32/598615532.db2.gz UYIRFVMYCDDIOX-UHFFFAOYSA-N -1 3 372.370 1.638 20 5 FDBDHM Cc1c(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)cccc1[N+](=O)[O-] ZINC000737209761 598615534 /nfs/dbraw/zinc/61/55/34/598615534.db2.gz UYIRFVMYCDDIOX-UHFFFAOYSA-N -1 3 372.370 1.638 20 5 FDBDHM O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000738314639 598643892 /nfs/dbraw/zinc/64/38/92/598643892.db2.gz WEITZLBVEBSMMI-UHFFFAOYSA-N -1 3 368.284 1.710 20 5 FDBDHM O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000738314639 598643894 /nfs/dbraw/zinc/64/38/94/598643894.db2.gz WEITZLBVEBSMMI-UHFFFAOYSA-N -1 3 368.284 1.710 20 5 FDBDHM O=C1CCCN1[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000738303525 598680677 /nfs/dbraw/zinc/68/06/77/598680677.db2.gz RGWXSMYPSZCKCH-GFCCVEGCSA-N -1 3 357.374 1.366 20 5 FDBDHM O=C1CCCN1[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000738303525 598680679 /nfs/dbraw/zinc/68/06/79/598680679.db2.gz RGWXSMYPSZCKCH-GFCCVEGCSA-N -1 3 357.374 1.366 20 5 FDBDHM O=C1Nc2ccccc2[C@H]1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000823547749 599425985 /nfs/dbraw/zinc/42/59/85/599425985.db2.gz OVMBGMOBVDOEAA-LLVKDONJSA-N -1 3 366.341 1.708 20 5 FDBDHM O=C1Nc2ccccc2[C@H]1CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000823547749 599425986 /nfs/dbraw/zinc/42/59/86/599425986.db2.gz OVMBGMOBVDOEAA-LLVKDONJSA-N -1 3 366.341 1.708 20 5 FDBDHM COc1ccc(-c2nnn[n-]2)cc1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000821752897 607379448 /nfs/dbraw/zinc/37/94/48/607379448.db2.gz UXRBTCHOBVJUJY-UHFFFAOYSA-N -1 3 362.733 1.647 20 5 FDBDHM COc1ccc(-c2nn[n-]n2)cc1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000821752897 607379450 /nfs/dbraw/zinc/37/94/50/607379450.db2.gz UXRBTCHOBVJUJY-UHFFFAOYSA-N -1 3 362.733 1.647 20 5 FDBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](CCO)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645984 599529774 /nfs/dbraw/zinc/52/97/74/599529774.db2.gz YXZNRGTTXQHMGB-NSHDSACASA-N -1 3 369.385 1.922 20 5 FDBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](CCO)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645984 599529776 /nfs/dbraw/zinc/52/97/76/599529776.db2.gz YXZNRGTTXQHMGB-NSHDSACASA-N -1 3 369.385 1.922 20 5 FDBDHM CCN1CCC[C@H](Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737113167 600431946 /nfs/dbraw/zinc/43/19/46/600431946.db2.gz BDIHRJVAICMMDG-LBPRGKRZSA-N -1 3 350.375 1.305 20 5 FDBDHM CCN1CCN([C@@H](C)CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000737114815 600591862 /nfs/dbraw/zinc/59/18/62/600591862.db2.gz GRGKTOBXEFHILF-LBPRGKRZSA-N -1 3 364.402 1.049 20 5 FDBDHM CNC(=O)C(C)(C)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821629918 607468164 /nfs/dbraw/zinc/46/81/64/607468164.db2.gz GLHWUZJVXIRUDY-UHFFFAOYSA-N -1 3 370.373 1.507 20 5 FDBDHM CNC(=O)C(C)(C)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821629918 607468166 /nfs/dbraw/zinc/46/81/66/607468166.db2.gz GLHWUZJVXIRUDY-UHFFFAOYSA-N -1 3 370.373 1.507 20 5 FDBDHM CN(C(=O)[O-])[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000739585948 601971596 /nfs/dbraw/zinc/97/15/96/601971596.db2.gz RHQARDRPEIGNLU-AWEZNQCLSA-N -1 3 350.375 1.998 20 5 FDBDHM COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826201484 607585074 /nfs/dbraw/zinc/58/50/74/607585074.db2.gz ROCNPNWUMLNPCS-UHFFFAOYSA-N -1 3 354.326 1.714 20 5 FDBDHM COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826201484 607585076 /nfs/dbraw/zinc/58/50/76/607585076.db2.gz ROCNPNWUMLNPCS-UHFFFAOYSA-N -1 3 354.326 1.714 20 5 FDBDHM O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826497978 607606171 /nfs/dbraw/zinc/60/61/71/607606171.db2.gz BLKSPEXNLRLISQ-UHFFFAOYSA-N -1 3 365.302 1.682 20 5 FDBDHM O=C([O-])N1CC[C@H](N(C[C@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000834080999 605361825 /nfs/dbraw/zinc/36/18/25/605361825.db2.gz CUVUYXDVIRTEGY-KBPBESRZSA-N -1 3 365.386 1.551 20 5 FDBDHM Cn1cc([C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CCO2)cn1 ZINC000822674522 606228501 /nfs/dbraw/zinc/22/85/01/606228501.db2.gz WJTVWXLLXNDLJM-AWEZNQCLSA-N -1 3 356.346 1.086 20 5 FDBDHM Cn1cc([C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CCO2)cn1 ZINC000822674522 606228502 /nfs/dbraw/zinc/22/85/02/606228502.db2.gz WJTVWXLLXNDLJM-AWEZNQCLSA-N -1 3 356.346 1.086 20 5 FDBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823188258 606279140 /nfs/dbraw/zinc/27/91/40/606279140.db2.gz WMGXBLHOIQCYCT-UHFFFAOYSA-N -1 3 355.358 1.856 20 5 FDBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823188258 606279141 /nfs/dbraw/zinc/27/91/41/606279141.db2.gz WMGXBLHOIQCYCT-UHFFFAOYSA-N -1 3 355.358 1.856 20 5 FDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822459758 606345022 /nfs/dbraw/zinc/34/50/22/606345022.db2.gz VKEFZIIUDSOTKM-SNVBAGLBSA-N -1 3 371.357 1.974 20 5 FDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822459758 606345023 /nfs/dbraw/zinc/34/50/23/606345023.db2.gz VKEFZIIUDSOTKM-SNVBAGLBSA-N -1 3 371.357 1.974 20 5 FDBDHM COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(-c2nnn[n-]2)c1 ZINC000821648387 606364439 /nfs/dbraw/zinc/36/44/39/606364439.db2.gz IZTWUEPRWGLBRH-GFCCVEGCSA-N -1 3 373.281 1.439 20 5 FDBDHM COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(-c2nn[n-]n2)c1 ZINC000821648387 606364440 /nfs/dbraw/zinc/36/44/40/606364440.db2.gz IZTWUEPRWGLBRH-GFCCVEGCSA-N -1 3 373.281 1.439 20 5 FDBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000823092855 606498837 /nfs/dbraw/zinc/49/88/37/606498837.db2.gz MUQHRYPDHKPCRC-UHFFFAOYSA-N -1 3 350.338 1.907 20 5 FDBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000823092855 606498839 /nfs/dbraw/zinc/49/88/39/606498839.db2.gz MUQHRYPDHKPCRC-UHFFFAOYSA-N -1 3 350.338 1.907 20 5 FDBDHM Cc1ccc([N+](=O)[O-])c(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000822270983 606721669 /nfs/dbraw/zinc/72/16/69/606721669.db2.gz GXWLYODXRCILAF-UHFFFAOYSA-N -1 3 366.385 1.805 20 5 FDBDHM Cc1ccc([N+](=O)[O-])c(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000822270983 606721671 /nfs/dbraw/zinc/72/16/71/606721671.db2.gz GXWLYODXRCILAF-UHFFFAOYSA-N -1 3 366.385 1.805 20 5 FDBDHM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820733641 606803155 /nfs/dbraw/zinc/80/31/55/606803155.db2.gz HQFIXPYNGXLWJY-YGRLFVJLSA-N -1 3 371.401 1.834 20 5 FDBDHM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820733641 606803156 /nfs/dbraw/zinc/80/31/56/606803156.db2.gz HQFIXPYNGXLWJY-YGRLFVJLSA-N -1 3 371.401 1.834 20 5 FDBDHM O=[N+]([O-])c1cnn(CCNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000823651692 607175939 /nfs/dbraw/zinc/17/59/39/607175939.db2.gz NQMKKNHFUSSAGK-UHFFFAOYSA-N -1 3 351.330 1.632 20 5 FDBDHM O=[N+]([O-])c1cnn(CCNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000823651692 607175940 /nfs/dbraw/zinc/17/59/40/607175940.db2.gz NQMKKNHFUSSAGK-UHFFFAOYSA-N -1 3 351.330 1.632 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(Cn2ccnn2)CC1 ZINC000826497676 607811219 /nfs/dbraw/zinc/81/12/19/607811219.db2.gz PQPCMFBWADNYRM-UHFFFAOYSA-N -1 3 355.362 1.283 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC(Cn2ccnn2)CC1 ZINC000826497676 607811220 /nfs/dbraw/zinc/81/12/20/607811220.db2.gz PQPCMFBWADNYRM-UHFFFAOYSA-N -1 3 355.362 1.283 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)COCc1ccco1 ZINC000826497821 607873566 /nfs/dbraw/zinc/87/35/66/607873566.db2.gz VXQYYXNZLQOFCW-NSHDSACASA-N -1 3 361.314 1.324 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)COCc1ccco1 ZINC000826497821 607873567 /nfs/dbraw/zinc/87/35/67/607873567.db2.gz VXQYYXNZLQOFCW-NSHDSACASA-N -1 3 361.314 1.324 20 5 FDBDHM Cc1ccc(OC[C@@H](O)COc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1 ZINC000826292157 607876384 /nfs/dbraw/zinc/87/63/84/607876384.db2.gz KKEQERZQFFOHKH-GFCCVEGCSA-N -1 3 371.353 1.902 20 5 FDBDHM Cc1ccc(OC[C@@H](O)COc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1 ZINC000826292157 607876385 /nfs/dbraw/zinc/87/63/85/607876385.db2.gz KKEQERZQFFOHKH-GFCCVEGCSA-N -1 3 371.353 1.902 20 5 FDBDHM O=[N+]([O-])c1cnn(C[C@H](O)COc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000826501101 607878518 /nfs/dbraw/zinc/87/85/18/607878518.db2.gz ZIMRZJUNMKRNKZ-JTQLQIEISA-N -1 3 365.737 1.065 20 5 FDBDHM O=[N+]([O-])c1cnn(C[C@H](O)COc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000826501101 607878519 /nfs/dbraw/zinc/87/85/19/607878519.db2.gz ZIMRZJUNMKRNKZ-JTQLQIEISA-N -1 3 365.737 1.065 20 5 FDBDHM O=C(COc1ccc([N+](=O)[O-])cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826418022 607952725 /nfs/dbraw/zinc/95/27/25/607952725.db2.gz OJQWUWSRJNFYJC-UHFFFAOYSA-N -1 3 366.337 1.743 20 5 FDBDHM O=C(COc1ccc([N+](=O)[O-])cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826418022 607952726 /nfs/dbraw/zinc/95/27/26/607952726.db2.gz OJQWUWSRJNFYJC-UHFFFAOYSA-N -1 3 366.337 1.743 20 5 FDBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCCc1cccc([N+](=O)[O-])c1 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C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(C)(C)O ZINC000611020796 554595473 /nfs/dbraw/zinc/59/54/73/554595473.db2.gz PXUCCGUCNSJWDD-SSDOTTSWSA-N -1 3 367.221 1.795 20 5 FDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1(O)Cc2ccccc2C1 ZINC000611022231 554595855 /nfs/dbraw/zinc/59/58/55/554595855.db2.gz NYTGCQPIQBJKIZ-UHFFFAOYSA-N -1 3 362.407 1.711 20 5 FDBDHM Cc1cc(S(=O)(=O)N2CCc3c(nc[n-]c3=O)C2)ccc1[N+](=O)[O-] ZINC000612429169 554777111 /nfs/dbraw/zinc/77/71/11/554777111.db2.gz KKDPSMFLDMABRN-UHFFFAOYSA-N -1 3 350.356 1.146 20 5 FDBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CC[C@@H](CO)CC2)cc1[N+](=O)[O-] ZINC000614550792 555071778 /nfs/dbraw/zinc/07/17/78/555071778.db2.gz VSMBJCBJCZSTBS-AOOOYVTPSA-N -1 3 362.379 1.572 20 5 FDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C)c1nnc2n1CCC2 ZINC000619482757 555785426 /nfs/dbraw/zinc/78/54/26/555785426.db2.gz XHKFRKUWOYFCON-VIFPVBQESA-N -1 3 367.387 1.181 20 5 FDBDHM COC(=O)CC1([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CCC1 ZINC000619489734 555786785 /nfs/dbraw/zinc/78/67/85/555786785.db2.gz HXJPFMVKZZKUGA-UHFFFAOYSA-N -1 3 358.372 1.368 20 5 FDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1c2ccccc2C[C@@H]1O ZINC000619491902 555787949 /nfs/dbraw/zinc/78/79/49/555787949.db2.gz CBBNFQLDNXYQHH-DZGCQCFKSA-N -1 3 364.379 1.540 20 5 FDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000619495239 555789065 /nfs/dbraw/zinc/78/90/65/555789065.db2.gz DLQNYFZMVBDSSO-OWYVNGRQSA-N -1 3 358.416 1.941 20 5 FDBDHM COC(=O)[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736900407 598882248 /nfs/dbraw/zinc/88/22/48/598882248.db2.gz XNHDKURJECGSGE-OAHLLOKOSA-N -1 3 368.353 1.779 20 5 FDBDHM COC(=O)[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736900407 598882249 /nfs/dbraw/zinc/88/22/49/598882249.db2.gz XNHDKURJECGSGE-OAHLLOKOSA-N -1 3 368.353 1.779 20 5 FDBDHM Cc1nn(C)c(C)c1C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822491555 599047112 /nfs/dbraw/zinc/04/71/12/599047112.db2.gz 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356.342 1.714 20 5 FDBDHM O=C1CCCCN1C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000823530285 606880770 /nfs/dbraw/zinc/88/07/70/606880770.db2.gz HZNPPGZACKNSJL-UHFFFAOYSA-N -1 3 372.389 1.151 20 5 FDBDHM O=C1CCCCN1C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000823530285 606880771 /nfs/dbraw/zinc/88/07/71/606880771.db2.gz HZNPPGZACKNSJL-UHFFFAOYSA-N -1 3 372.389 1.151 20 5 FDBDHM Cc1ccc([N+](=O)[O-])c(N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)n1 ZINC000822271290 607025005 /nfs/dbraw/zinc/02/50/05/607025005.db2.gz VHNJHTJSVAIHHE-UHFFFAOYSA-N -1 3 367.373 1.200 20 5 FDBDHM Cc1ccc([N+](=O)[O-])c(N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)n1 ZINC000822271290 607025006 /nfs/dbraw/zinc/02/50/06/607025006.db2.gz VHNJHTJSVAIHHE-UHFFFAOYSA-N -1 3 367.373 1.200 20 5 FDBDHM O=c1ccn(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1[N+](=O)[O-] ZINC000823664565 607040555 /nfs/dbraw/zinc/04/05/55/607040555.db2.gz ABNTUDNCKQFKNO-UHFFFAOYSA-N -1 3 366.297 1.035 20 5 FDBDHM 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606730860 /nfs/dbraw/zinc/73/08/60/606730860.db2.gz MVTHJRWYFNDHNW-SECBINFHSA-N -1 3 371.336 1.395 20 5 FDBDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000821412955 606800666 /nfs/dbraw/zinc/80/06/66/606800666.db2.gz VAPGDRZNRGQGGW-UHFFFAOYSA-N -1 3 355.314 1.821 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H](Oc2ccccn2)C1 ZINC000823630324 606878927 /nfs/dbraw/zinc/87/89/27/606878927.db2.gz XAEFKTAKDJDLEW-GFCCVEGCSA-N -1 3 353.342 1.828 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](Oc2ccccn2)C1 ZINC000823630324 606878928 /nfs/dbraw/zinc/87/89/28/606878928.db2.gz XAEFKTAKDJDLEW-GFCCVEGCSA-N -1 3 353.342 1.828 20 5 FDBDHM C[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000820368191 607172763 /nfs/dbraw/zinc/17/27/63/607172763.db2.gz XNTNBQSTXATENN-SNVBAGLBSA-N -1 3 371.361 1.032 20 5 FDBDHM C[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000820368191 607172764 /nfs/dbraw/zinc/17/27/64/607172764.db2.gz XNTNBQSTXATENN-SNVBAGLBSA-N -1 3 371.361 1.032 20 5 FDBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccccn3)C2)c(-c2nnn[n-]2)c1 ZINC000826498985 607811392 /nfs/dbraw/zinc/81/13/92/607811392.db2.gz QYLVNZCLXZYDMJ-LLVKDONJSA-N -1 3 352.358 1.861 20 5 FDBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccccn3)C2)c(-c2nn[n-]n2)c1 ZINC000826498985 607811393 /nfs/dbraw/zinc/81/13/93/607811393.db2.gz QYLVNZCLXZYDMJ-LLVKDONJSA-N -1 3 352.358 1.861 20 5 FDBDHM CCOCCN1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000825599478 607841316 /nfs/dbraw/zinc/84/13/16/607841316.db2.gz MTWQYFACWSPHQN-GFCCVEGCSA-N -1 3 361.406 1.322 20 5 FDBDHM CCc1nn(C)c(CC)c1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825760413 607850579 /nfs/dbraw/zinc/85/05/79/607850579.db2.gz YSQCHHDWEXJZMO-UHFFFAOYSA-N -1 3 357.378 1.640 20 5 FDBDHM CCc1nn(C)c(CC)c1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825760413 607850580 /nfs/dbraw/zinc/85/05/80/607850580.db2.gz YSQCHHDWEXJZMO-UHFFFAOYSA-N -1 3 357.378 1.640 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)COc1ccccc1 ZINC000826497506 607869464 /nfs/dbraw/zinc/86/94/64/607869464.db2.gz JHKYRRGCYMLBBW-LBPRGKRZSA-N -1 3 357.326 1.594 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)COc1ccccc1 ZINC000826497506 607869465 /nfs/dbraw/zinc/86/94/65/607869465.db2.gz JHKYRRGCYMLBBW-LBPRGKRZSA-N -1 3 357.326 1.594 20 5 FDBDHM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450626 608121893 /nfs/dbraw/zinc/12/18/93/608121893.db2.gz VKXVLUMMBGEITA-UHFFFAOYSA-N -1 3 365.313 1.745 20 5 FDBDHM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450626 608121894 /nfs/dbraw/zinc/12/18/94/608121894.db2.gz VKXVLUMMBGEITA-UHFFFAOYSA-N -1 3 365.313 1.745 20 5 FDBDHM C[C@]1(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCCO1 ZINC000824783478 608162882 /nfs/dbraw/zinc/16/28/82/608162882.db2.gz HHJBSNZVLLWGQJ-CYBMUJFWSA-N -1 3 352.738 1.936 20 5 FDBDHM C[C@]1(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCCO1 ZINC000824783478 608162884 /nfs/dbraw/zinc/16/28/84/608162884.db2.gz HHJBSNZVLLWGQJ-CYBMUJFWSA-N -1 3 352.738 1.936 20 5 FDBDHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000826470381 608244882 /nfs/dbraw/zinc/24/48/82/608244882.db2.gz NYZZOZRBQSNTKO-HNNXBMFYSA-N -1 3 371.382 1.991 20 5 FDBDHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000826470381 608244884 /nfs/dbraw/zinc/24/48/84/608244884.db2.gz NYZZOZRBQSNTKO-HNNXBMFYSA-N -1 3 371.382 1.991 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000826500991 608296283 /nfs/dbraw/zinc/29/62/83/608296283.db2.gz UWVLFKKUOIUWKN-RYUDHWBXSA-N -1 3 359.390 1.813 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000826500991 608296284 /nfs/dbraw/zinc/29/62/84/608296284.db2.gz UWVLFKKUOIUWKN-RYUDHWBXSA-N -1 3 359.390 1.813 20 5 FDBDHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)CO1 ZINC000824994463 608364166 /nfs/dbraw/zinc/36/41/66/608364166.db2.gz UNCGYTVJVONODA-VHSXEESVSA-N -1 3 355.358 1.937 20 5 FDBDHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)CO1 ZINC000824994463 608364168 /nfs/dbraw/zinc/36/41/68/608364168.db2.gz UNCGYTVJVONODA-VHSXEESVSA-N -1 3 355.358 1.937 20 5 FDBDHM Cn1ccnc1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826363836 608377849 /nfs/dbraw/zinc/37/78/49/608377849.db2.gz CZGAGMMHNYRBGA-UHFFFAOYSA-N -1 3 351.330 1.669 20 5 FDBDHM Cn1ccnc1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826363836 608377851 /nfs/dbraw/zinc/37/78/51/608377851.db2.gz CZGAGMMHNYRBGA-UHFFFAOYSA-N -1 3 351.330 1.669 20 5 FDBDHM O=[N+]([O-])c1ccc(Sc2nnc(CO)n2C2CC2)c(-c2nnn[n-]2)c1 ZINC000826499317 608441436 /nfs/dbraw/zinc/44/14/36/608441436.db2.gz DRZUBYQCFFUIQD-UHFFFAOYSA-N -1 3 360.359 1.345 20 5 FDBDHM O=[N+]([O-])c1ccc(Sc2nnc(CO)n2C2CC2)c(-c2nn[n-]n2)c1 ZINC000826499317 608441438 /nfs/dbraw/zinc/44/14/38/608441438.db2.gz DRZUBYQCFFUIQD-UHFFFAOYSA-N -1 3 360.359 1.345 20 5 FDBDHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000826469759 609196991 /nfs/dbraw/zinc/19/69/91/609196991.db2.gz QSDYSZYSKJRRDS-UHFFFAOYSA-N -1 3 368.357 1.065 20 5 FDBDHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000826469759 609196992 /nfs/dbraw/zinc/19/69/92/609196992.db2.gz QSDYSZYSKJRRDS-UHFFFAOYSA-N -1 3 368.357 1.065 20 5 FDBDHM O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1ccccc1-c1nnn[n-]1 ZINC000826483203 609265240 /nfs/dbraw/zinc/26/52/40/609265240.db2.gz FIOLFYDMORCIPJ-UHFFFAOYSA-N -1 3 350.294 1.571 20 5 FDBDHM O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1ccccc1-c1nn[n-]n1 ZINC000826483203 609265242 /nfs/dbraw/zinc/26/52/42/609265242.db2.gz FIOLFYDMORCIPJ-UHFFFAOYSA-N -1 3 350.294 1.571 20 5 FDBDHM Cc1cc(C)c(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000276850174 674782057 /nfs/dbraw/zinc/78/20/57/674782057.db2.gz DOYJASUKELHNRG-UHFFFAOYSA-N -1 3 371.415 1.039 20 5 FDBDHM COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000007078973 670537508 /nfs/dbraw/zinc/53/75/08/670537508.db2.gz KTBSNWYLDIHAPS-UHFFFAOYSA-N -1 3 364.335 1.778 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]N=c2nccc[nH]2)cc1Br ZINC000194172963 672380341 /nfs/dbraw/zinc/38/03/41/672380341.db2.gz OLECQJRAGVRSEM-UHFFFAOYSA-N -1 3 374.176 1.453 20 5 FDBDHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1NCCc2ccccc21 ZINC000261800846 672674395 /nfs/dbraw/zinc/67/43/95/672674395.db2.gz AAYIKLSURWFZRI-AWEZNQCLSA-N -1 3 365.386 1.899 20 5 FDBDHM C[C@@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000267866638 673339642 /nfs/dbraw/zinc/33/96/42/673339642.db2.gz KFHXYWYSIOWTLZ-ONGXEEELSA-N -1 3 364.807 1.721 20 5 FDBDHM C[C@@H]1C[C@H]1N1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000331606875 676732839 /nfs/dbraw/zinc/73/28/39/676732839.db2.gz ZVJBKHQIQDNUAN-KBVBSXBZSA-N -1 3 373.818 1.536 20 5 FDBDHM COCCCS(=O)(=O)[N-]Cc1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000351152834 676850642 /nfs/dbraw/zinc/85/06/42/676850642.db2.gz XBNVCJYRPIYLCN-UHFFFAOYSA-N -1 3 370.387 1.409 20 5 FDBDHM COCC[C@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416522647 679646389 /nfs/dbraw/zinc/64/63/89/679646389.db2.gz JKBCGDPKDXREAS-SECBINFHSA-N -1 3 372.321 1.289 20 5 FDBDHM C[C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000474318975 685389990 /nfs/dbraw/zinc/38/99/90/685389990.db2.gz SEBFPEUHLKYWCR-MRVPVSSYSA-N -1 3 370.836 1.350 20 5 FDBDHM Cn1cnc([N+](=O)[O-])c1CS(=O)(=O)c1nc(CCC2CCCC2)n[n-]1 ZINC000437147891 681760486 /nfs/dbraw/zinc/76/04/86/681760486.db2.gz AROWWXXITCQQBA-UHFFFAOYSA-N -1 3 368.419 1.543 20 5 FDBDHM Cn1cnc([N+](=O)[O-])c1CS(=O)(=O)c1nnc(CCC2CCCC2)[n-]1 ZINC000437147891 681760490 /nfs/dbraw/zinc/76/04/90/681760490.db2.gz AROWWXXITCQQBA-UHFFFAOYSA-N -1 3 368.419 1.543 20 5 FDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCO[C@H]1CCOC1 ZINC000465502196 684786177 /nfs/dbraw/zinc/78/61/77/684786177.db2.gz QBXYPDZMKMUGIC-NSHDSACASA-N -1 3 364.807 1.722 20 5 FDBDHM CCOC(=O)Cc1csc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000484246131 686579809 /nfs/dbraw/zinc/57/98/09/686579809.db2.gz PBKBLKOVIGKLCX-UHFFFAOYSA-N -1 3 352.328 1.510 20 5 FDBDHM CS(=O)(=O)[N-]c1cncc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000503426426 688357023 /nfs/dbraw/zinc/35/70/23/688357023.db2.gz OCHWYTPYWNIKCB-UHFFFAOYSA-N -1 3 362.367 1.564 20 5 FDBDHM CC(C)[C@@H](CO)O[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000836889773 794003325 /nfs/dbraw/zinc/00/33/25/794003325.db2.gz HJGXBULDRYFKJV-GFCCVEGCSA-N -1 3 361.192 1.965 20 5 FDBDHM CC(=O)c1cnc([N-]C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])s1 ZINC001126420096 815347909 /nfs/dbraw/zinc/34/79/09/815347909.db2.gz OPHIXKIJLRPCHK-UHFFFAOYSA-N -1 3 369.380 1.910 20 5 FDBDHM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(=O)NCCN1CCCCC1 ZINC000436797119 816728760 /nfs/dbraw/zinc/72/87/60/816728760.db2.gz MGLADBDTOXHEEQ-GFCCVEGCSA-N -1 3 364.402 1.021 20 5 FDBDHM CN(C)c1ncn(-c2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2)n1 ZINC000506130636 817336794 /nfs/dbraw/zinc/33/67/94/817336794.db2.gz JBHBZLAPUYIIPE-UHFFFAOYSA-N -1 3 369.341 1.594 20 5 FDBDHM O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCc2nc[n-]c(=O)c2C1 ZINC000527257923 829006447 /nfs/dbraw/zinc/00/64/47/829006447.db2.gz AEZSFGIWYPQCBR-UHFFFAOYSA-N -1 3 366.280 1.890 20 5 FDBDHM CN(C)c1nc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc(=O)[n-]1 ZINC000461387440 843012716 /nfs/dbraw/zinc/01/27/16/843012716.db2.gz LACUDQBCNGFTKR-UHFFFAOYSA-N -1 3 359.342 1.191 20 5 FDBDHM O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484517327 850934151 /nfs/dbraw/zinc/93/41/51/850934151.db2.gz FTAXYKFKRSKOKX-UHFFFAOYSA-N -1 3 367.325 1.936 20 5 FDBDHM Cc1ccc(C(=O)NCCc2nc(-c3c([N+](=O)[O-])ncn3C)no2)c([O-])c1 ZINC000350885031 881228806 /nfs/dbraw/zinc/22/88/06/881228806.db2.gz AQXXJUKYNODYSH-UHFFFAOYSA-N -1 3 372.341 1.365 20 5 FDBDHM C[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000921495808 888041576 /nfs/dbraw/zinc/04/15/76/888041576.db2.gz HYOCZBGJYLWROI-XVKPBYJWSA-N -1 3 365.205 1.671 20 5 FDBDHM Cc1cnc([N-]C(=O)c2c3c(cc([N+](=O)[O-])c2[N+](=O)[O-])OCCO3)nc1 ZINC000772307310 931187564 /nfs/dbraw/zinc/18/75/64/931187564.db2.gz INLPCYYMPJZZTP-UHFFFAOYSA-N -1 3 361.270 1.625 20 5 FDBDHM C[C@@H](O)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000788686597 932775608 /nfs/dbraw/zinc/77/56/08/932775608.db2.gz BUSNUJBUMFXIGJ-MRVPVSSYSA-N -1 3 367.221 1.797 20 5 FDBDHM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCN(C2CC2)CC1 ZINC000805842174 938841724 /nfs/dbraw/zinc/84/17/24/938841724.db2.gz YPKOGLCZLWOQAI-UHFFFAOYSA-N -1 3 353.400 1.274 20 5 FDBDHM CC(C)S(=O)(=O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000808348403 940541003 /nfs/dbraw/zinc/54/10/03/940541003.db2.gz NTNYIGLPGTZAOJ-UHFFFAOYSA-N -1 3 370.836 1.350 20 5 FDBDHM CCOCCOCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001195241860 970784995 /nfs/dbraw/zinc/78/49/95/970784995.db2.gz CGWOTDITSFYGQG-UHFFFAOYSA-N -1 3 352.796 1.580 20 5 FDBDHM CN1CCC([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000814980347 941746437 /nfs/dbraw/zinc/74/64/37/941746437.db2.gz KLWWXQHRLYLWOO-UHFFFAOYSA-N -1 3 351.787 1.760 20 5 FDBDHM COC(=O)[C@H]1C[C@@H]2C[C@H]([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC001195518728 971016802 /nfs/dbraw/zinc/01/68/02/971016802.db2.gz GTAYFHYQNLMQPG-PFWNZEGQSA-N -1 3 372.374 1.600 20 5 FDBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCCOc1cccc([N+](=O)[O-])c1 ZINC000823111784 946316787 /nfs/dbraw/zinc/31/67/87/946316787.db2.gz NICSBHKVNYMUJK-UHFFFAOYSA-N -1 3 369.337 1.940 20 5 FDBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCCOc1cccc([N+](=O)[O-])c1 ZINC000823111784 946316797 /nfs/dbraw/zinc/31/67/97/946316797.db2.gz NICSBHKVNYMUJK-UHFFFAOYSA-N -1 3 369.337 1.940 20 5 FDBDHM CC(C)(C)OC(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000845857573 950022089 /nfs/dbraw/zinc/02/20/89/950022089.db2.gz KZFSNSVMLXBNJH-JTQLQIEISA-N -1 3 372.403 1.278 20 5 FDBDHM C[C@]1(C(F)(F)F)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CCO1 ZINC001575614435 950534134 /nfs/dbraw/zinc/53/41/34/950534134.db2.gz CDNPJTQHFYKAHA-GFCCVEGCSA-N -1 3 373.295 1.515 20 5 FDBDHM C[C@]1(C(F)(F)F)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CCO1 ZINC001575614435 950534148 /nfs/dbraw/zinc/53/41/48/950534148.db2.gz CDNPJTQHFYKAHA-GFCCVEGCSA-N -1 3 373.295 1.515 20 5 FDBDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1c([N+](=O)[O-])ncn1C ZINC001575191017 952465363 /nfs/dbraw/zinc/46/53/63/952465363.db2.gz VKPKSWXSBKZMIV-VIFPVBQESA-N -1 3 356.346 1.326 20 5 FDBDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1c([N+](=O)[O-])ncn1C ZINC001575191017 952465366 /nfs/dbraw/zinc/46/53/66/952465366.db2.gz VKPKSWXSBKZMIV-VIFPVBQESA-N -1 3 356.346 1.326 20 5 FDBDHM CN(C)CCN(CC(=O)[O-])C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001593699700 954100887 /nfs/dbraw/zinc/10/08/87/954100887.db2.gz UMDNOJSOFGOSLG-UHFFFAOYSA-N -1 3 361.757 1.405 20 5 FDBDHM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001197297458 972186809 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ZINC000123549235 524774648 /nfs/dbraw/zinc/77/46/48/524774648.db2.gz XRSQOEFMFDXHQR-SECBINFHSA-N -1 3 357.417 1.158 20 5 FDBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000123760669 524824170 /nfs/dbraw/zinc/82/41/70/524824170.db2.gz YMNGOWZKOQFYGU-VHSXEESVSA-N -1 3 363.461 1.352 20 5 FDBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)c2nnc3n2CCC3)cc1[N+](=O)[O-] ZINC000123872255 524849603 /nfs/dbraw/zinc/84/96/03/524849603.db2.gz VRLBCKPNQPZYQF-SSDOTTSWSA-N -1 3 357.417 1.542 20 5 FDBDHM Cc1ccc(-c2nnc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[n-]2)o1 ZINC000160324138 524858724 /nfs/dbraw/zinc/85/87/24/524858724.db2.gz RWJYKODUQQPNDS-UHFFFAOYSA-N -1 3 370.325 1.650 20 5 FDBDHM Cc1ccc(-c2n[n-]c(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000160324138 524858731 /nfs/dbraw/zinc/85/87/31/524858731.db2.gz RWJYKODUQQPNDS-UHFFFAOYSA-N -1 3 370.325 1.650 20 5 FDBDHM Cc1ccc(-c2nc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)n[n-]2)o1 ZINC000160324138 524858738 /nfs/dbraw/zinc/85/87/38/524858738.db2.gz RWJYKODUQQPNDS-UHFFFAOYSA-N -1 3 370.325 1.650 20 5 FDBDHM C[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[S@](C)=O ZINC000124018476 524882219 /nfs/dbraw/zinc/88/22/19/524882219.db2.gz PXKZGRMZBSSAQN-FFVOIRBGSA-N -1 3 354.837 1.684 20 5 FDBDHM CCC[C@H](C)CC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000116651216 525189498 /nfs/dbraw/zinc/18/94/98/525189498.db2.gz ZTSQNWMYOYVUHH-LBPRGKRZSA-N -1 3 357.432 1.816 20 5 FDBDHM CC(C)(C)[S@](=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000116902772 525250069 /nfs/dbraw/zinc/25/00/69/525250069.db2.gz DXWQHFDOFZKJER-NRFANRHFSA-N -1 3 352.409 1.559 20 5 FDBDHM CC[C@@]1(C)C[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000130902414 525808052 /nfs/dbraw/zinc/80/80/52/525808052.db2.gz WELXOJVTGZDQPW-ABAIWWIYSA-N -1 3 355.416 1.426 20 5 FDBDHM COCCN(C)CC[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000155490832 525880038 /nfs/dbraw/zinc/88/00/38/525880038.db2.gz WDQVTVCAMQMIED-UHFFFAOYSA-N -1 3 365.839 1.413 20 5 FDBDHM Cc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000185721998 536216049 /nfs/dbraw/zinc/21/60/49/536216049.db2.gz LRLYYISSBNZWGU-JTQLQIEISA-N -1 3 371.390 1.332 20 5 FDBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C ZINC000263785741 537099419 /nfs/dbraw/zinc/09/94/19/537099419.db2.gz GPHPJHLTHNKEAA-NEPJUHHUSA-N -1 3 355.416 1.663 20 5 FDBDHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189924840 537116265 /nfs/dbraw/zinc/11/62/65/537116265.db2.gz RBTMVRYPKWAPJW-WFASDCNBSA-N -1 3 356.382 1.946 20 5 FDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCNC(=O)C(C)(C)C)c1[N+](=O)[O-] ZINC000189926350 537116737 /nfs/dbraw/zinc/11/67/37/537116737.db2.gz UJSPDOQTRZYABD-UHFFFAOYSA-N -1 3 357.432 1.652 20 5 FDBDHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1ccc2c(c1)CNC2 ZINC000193432176 537247400 /nfs/dbraw/zinc/24/74/00/537247400.db2.gz BZLLDWMPGJPHBI-UHFFFAOYSA-N -1 3 351.359 1.816 20 5 FDBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CCO)C(C)C ZINC000276088442 537286300 /nfs/dbraw/zinc/28/63/00/537286300.db2.gz HHKFSALDESHJPG-GFCCVEGCSA-N -1 3 360.388 1.067 20 5 FDBDHM Cc1cc([N-]C(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)on1 ZINC000194603870 537300608 /nfs/dbraw/zinc/30/06/08/537300608.db2.gz OIHRDDYVJXQPGT-UHFFFAOYSA-N -1 3 355.310 1.754 20 5 FDBDHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000194682552 537313712 /nfs/dbraw/zinc/31/37/12/537313712.db2.gz CLKRHPDRRRYKNP-SNVBAGLBSA-N -1 3 369.424 1.812 20 5 FDBDHM CC[C@]1(C)NC(=O)N([N-]C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000281295337 537524696 /nfs/dbraw/zinc/52/46/96/537524696.db2.gz YGARQKIQRVGTIC-AWEZNQCLSA-N -1 3 354.750 1.542 20 5 FDBDHM COc1c(F)cc(S(=O)(=O)[N-]CCc2nccnc2C)cc1[N+](=O)[O-] ZINC000293682910 537562192 /nfs/dbraw/zinc/56/21/92/537562192.db2.gz BCYKOFXCFDBGGT-UHFFFAOYSA-N -1 3 370.362 1.362 20 5 FDBDHM Cc1ccc([O-])c(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000293883180 537616780 /nfs/dbraw/zinc/61/67/80/537616780.db2.gz DFFCWZDAESBYHU-UHFFFAOYSA-N -1 3 356.382 1.962 20 5 FDBDHM Cc1nnc(CC[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])s1 ZINC000290050013 537658808 /nfs/dbraw/zinc/65/88/08/537658808.db2.gz BGWOKEDFSWZBAB-UHFFFAOYSA-N -1 3 356.429 1.893 20 5 FDBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(C)C ZINC000392465287 537778863 /nfs/dbraw/zinc/77/88/63/537778863.db2.gz AERGRCTXXGARJI-GFCCVEGCSA-N -1 3 360.388 1.331 20 5 FDBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CS[C@H](C)C1 ZINC000397839576 537793366 /nfs/dbraw/zinc/79/33/66/537793366.db2.gz PWLHSAROCPHYJE-BDAKNGLRSA-N -1 3 360.413 1.554 20 5 FDBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]3CCCCN3C2=O)c([N+](=O)[O-])c1 ZINC000416519875 537874492 /nfs/dbraw/zinc/87/44/92/537874492.db2.gz WFOAIYPZBWNJJH-RYUDHWBXSA-N -1 3 353.400 1.335 20 5 FDBDHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000416540712 537879892 /nfs/dbraw/zinc/87/98/92/537879892.db2.gz IDVVRXNOZMJIOX-UHFFFAOYSA-N -1 3 357.367 1.628 20 5 FDBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000416604658 537899359 /nfs/dbraw/zinc/89/93/59/537899359.db2.gz LLLKULDBJCDZSN-VWYCJHECSA-N -1 3 372.399 1.473 20 5 FDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](c1nc[nH]n1)c1ccccc1 ZINC000372460606 537955608 /nfs/dbraw/zinc/95/56/08/537955608.db2.gz RSSTZRTZHJCCFK-CQSZACIVSA-N -1 3 359.367 1.781 20 5 FDBDHM CCn1cccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1=O ZINC000433346052 538228866 /nfs/dbraw/zinc/22/88/66/538228866.db2.gz BIZLSPIZXHDMJU-UHFFFAOYSA-N -1 3 351.384 1.563 20 5 FDBDHM COc1cc(CNc2ccc(C(=O)NCC(N)=O)cc2)c([N+](=O)[O-])cc1[O-] ZINC000428334003 538288787 /nfs/dbraw/zinc/28/87/87/538288787.db2.gz XRJIHSAAVGEXPF-UHFFFAOYSA-N -1 3 374.353 1.136 20 5 FDBDHM COC(=O)c1cccc2nc(NC(=O)CCn3cc([N+](=O)[O-])cn3)[n-]c21 ZINC000438360740 538423902 /nfs/dbraw/zinc/42/39/02/538423902.db2.gz TYHAIZIZWDNPMY-UHFFFAOYSA-N -1 3 358.314 1.483 20 5 FDBDHM COC(=O)c1cccc2[n-]c(NC(=O)CCn3cc([N+](=O)[O-])cn3)nc21 ZINC000438360740 538423904 /nfs/dbraw/zinc/42/39/04/538423904.db2.gz TYHAIZIZWDNPMY-UHFFFAOYSA-N -1 3 358.314 1.483 20 5 FDBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc(OCCO)cc2)cc1[N+](=O)[O-] ZINC000467070390 538600940 /nfs/dbraw/zinc/60/09/40/538600940.db2.gz OKYXLVZNJGCZMS-UHFFFAOYSA-N -1 3 372.424 1.814 20 5 FDBDHM COC(=O)c1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000467116579 538614140 /nfs/dbraw/zinc/61/41/40/538614140.db2.gz HXSKPJPCTZYUIO-UHFFFAOYSA-N -1 3 368.342 1.999 20 5 FDBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCN(C)[C@@H](C)C1 ZINC000469172382 538783142 /nfs/dbraw/zinc/78/31/42/538783142.db2.gz YFYBGZXKPZERAT-QWRGUYRKSA-N -1 3 371.415 1.142 20 5 FDBDHM Cc1nc(C)c(CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(=O)[n-]1 ZINC000470309126 538832697 /nfs/dbraw/zinc/83/26/97/538832697.db2.gz QYDJOPRNKVRAFD-UHFFFAOYSA-N -1 3 358.354 1.540 20 5 FDBDHM CCOc1cc(C(=O)N2CCc3c(=O)[n-]cnc3C2)c([N+](=O)[O-])cc1OC ZINC000504139113 538834354 /nfs/dbraw/zinc/83/43/54/538834354.db2.gz RJIJGNKSRSURMZ-UHFFFAOYSA-N -1 3 374.353 1.696 20 5 FDBDHM CC[C@H](CCO)C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000476421774 538865940 /nfs/dbraw/zinc/86/59/40/538865940.db2.gz HKHYDJDSMLKCSO-SNVBAGLBSA-N -1 3 360.388 1.053 20 5 FDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCS(=O)(=O)C2)c1C ZINC000481009031 538869016 /nfs/dbraw/zinc/86/90/16/538869016.db2.gz SCOPZISDDDSNIA-NSHDSACASA-N -1 3 362.429 1.067 20 5 FDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCN(C(C)(C)C)C1=O ZINC000563055379 546374775 /nfs/dbraw/zinc/37/47/75/546374775.db2.gz XRQDADJFFAPZMP-LLVKDONJSA-N -1 3 371.415 1.281 20 5 FDBDHM CC(=O)N1C[C@@H]2CCC[C@H]([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000565444266 547352847 /nfs/dbraw/zinc/35/28/47/547352847.db2.gz PAHXIVPBYWXQMB-MJBXVCDLSA-N -1 3 367.427 1.520 20 5 FDBDHM CC[C@H](C)N(C)CCNS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568006840 548358437 /nfs/dbraw/zinc/35/84/37/548358437.db2.gz TUVVJMRBIWNWFU-JTQLQIEISA-N -1 3 359.404 1.302 20 5 FDBDHM CCCCN(C)C[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570687999 549376668 /nfs/dbraw/zinc/37/66/68/549376668.db2.gz UDTRJQHTKPPTQI-NSHDSACASA-N -1 3 373.431 1.692 20 5 FDBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cc(C)ccn1 ZINC000570809719 549421008 /nfs/dbraw/zinc/42/10/08/549421008.db2.gz IPXPLTZQLROWPN-UHFFFAOYSA-N -1 3 365.367 1.563 20 5 FDBDHM CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1=O ZINC000573559615 550163891 /nfs/dbraw/zinc/16/38/91/550163891.db2.gz ODPSCOFGTWUCKH-LLVKDONJSA-N -1 3 359.379 1.412 20 5 FDBDHM CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000573729935 550201676 /nfs/dbraw/zinc/20/16/76/550201676.db2.gz RKMYPRSVVQZQEV-LLVKDONJSA-N -1 3 371.415 1.398 20 5 FDBDHM CCN1CCN(C[C@@H](C)CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000577182570 550629532 /nfs/dbraw/zinc/62/95/32/550629532.db2.gz OCEDQVKTMHRXOA-LBPRGKRZSA-N -1 3 365.434 1.682 20 5 FDBDHM O=C([O-])c1cnc(N2CC[C@@H](OCCN3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000579715265 550902736 /nfs/dbraw/zinc/90/27/36/550902736.db2.gz WFNWJKIFCKRMQY-CQSZACIVSA-N -1 3 364.402 1.769 20 5 FDBDHM CCn1ccnc1[C@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000590763292 551814435 /nfs/dbraw/zinc/81/44/35/551814435.db2.gz OXHKFTIFHDKLAR-JTQLQIEISA-N -1 3 354.388 1.859 20 5 FDBDHM CC[C@@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592085281 551938068 /nfs/dbraw/zinc/93/80/68/551938068.db2.gz XYXGNBHTHZQSHL-MNOVXSKESA-N -1 3 374.415 1.441 20 5 FDBDHM CC(C)(C)OC(=O)Cn1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000592813336 552031745 /nfs/dbraw/zinc/03/17/45/552031745.db2.gz KAYFAYFKPSQPIR-UHFFFAOYSA-N -1 3 363.330 1.486 20 5 FDBDHM Cc1cc(N2CCN([C@H]3CCCN(C)C3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592975160 552050977 /nfs/dbraw/zinc/05/09/77/552050977.db2.gz CUZYMOAKVBTNNE-AWEZNQCLSA-N -1 3 362.430 1.818 20 5 FDBDHM COc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c(OC)c1 ZINC000593540038 552126838 /nfs/dbraw/zinc/12/68/38/552126838.db2.gz ZXGONQPUUFHSSR-UHFFFAOYSA-N -1 3 367.383 1.528 20 5 FDBDHM C[C@H](CN1C[C@H](C)C[C@@H](C)C1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593559793 552133911 /nfs/dbraw/zinc/13/39/11/552133911.db2.gz OBQUSTMEBGLUKX-JHJVBQTASA-N -1 3 356.448 1.635 20 5 FDBDHM CN(C)Cc1ccccc1C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594743598 552368364 /nfs/dbraw/zinc/36/83/64/552368364.db2.gz HUDHKRMXRHKCOR-UHFFFAOYSA-N -1 3 350.400 1.530 20 5 FDBDHM C[C@@H]1CN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@H](C)O1 ZINC000594747563 552369607 /nfs/dbraw/zinc/36/96/07/552369607.db2.gz KOKXEVUGOIWHGJ-GHMZBOCLSA-N -1 3 352.391 1.313 20 5 FDBDHM CC(C)(C)OC(=O)C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594756122 552371871 /nfs/dbraw/zinc/37/18/71/552371871.db2.gz XLXCUVSXTZMRQC-UHFFFAOYSA-N -1 3 367.383 1.763 20 5 FDBDHM C[C@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])[C@H]1CCOC1 ZINC000594757039 552372395 /nfs/dbraw/zinc/37/23/95/552372395.db2.gz GMGHCIBVZAIICQ-QWRGUYRKSA-N -1 3 351.384 1.846 20 5 FDBDHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C1CC1 ZINC000594759877 552373410 /nfs/dbraw/zinc/37/34/10/552373410.db2.gz WFHSFQLUELENFH-CYBMUJFWSA-N -1 3 365.367 1.373 20 5 FDBDHM CN1CCC[C@@H]([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1=O ZINC000594759678 552373488 /nfs/dbraw/zinc/37/34/88/552373488.db2.gz IDEFDIGJSMVQIS-GFCCVEGCSA-N -1 3 364.383 1.042 20 5 FDBDHM CCOC(=O)[C@H](C)C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594764013 552375798 /nfs/dbraw/zinc/37/57/98/552375798.db2.gz DJJSIZLRMBIZQM-SNVBAGLBSA-N -1 3 367.383 1.621 20 5 FDBDHM C[C@]1([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CCCOC1 ZINC000594767508 552377161 /nfs/dbraw/zinc/37/71/61/552377161.db2.gz LQBXAMZIHIANBW-HNNXBMFYSA-N -1 3 351.384 1.990 20 5 FDBDHM CC(C)(CO)CC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594776816 552380883 /nfs/dbraw/zinc/38/08/83/552380883.db2.gz JYELKFUNKCAIHY-UHFFFAOYSA-N -1 3 353.400 1.830 20 5 FDBDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CO1 ZINC000594793836 552386964 /nfs/dbraw/zinc/38/69/64/552386964.db2.gz FFQFWGFBXCASTQ-VIFPVBQESA-N -1 3 358.372 1.212 20 5 FDBDHM COc1ccc(S(=O)(=O)[N-]Cc2c(C3CC3)cnn2C)c([N+](=O)[O-])c1 ZINC000594850077 552408529 /nfs/dbraw/zinc/40/85/29/552408529.db2.gz KPTMVMRNRCTHRG-UHFFFAOYSA-N -1 3 366.399 1.693 20 5 FDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000595361533 552536926 /nfs/dbraw/zinc/53/69/26/552536926.db2.gz WQSFYEXJLIQSSL-LBPRGKRZSA-N -1 3 369.443 1.829 20 5 FDBDHM Cc1cc(=O)[n-]c(C(C)(C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000595519543 552577627 /nfs/dbraw/zinc/57/76/27/552577627.db2.gz LEPHWNBOTSDXIG-ZDUSSCGKSA-N -1 3 362.386 1.663 20 5 FDBDHM CCn1ncc(C)c1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000598198081 552875086 /nfs/dbraw/zinc/87/50/86/552875086.db2.gz AUUYOHIAPVRCHG-UHFFFAOYSA-N -1 3 367.387 1.037 20 5 FDBDHM 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FDBDHM O=[N+]([O-])c1cnc(N2CCN(c3cccs3)CC2)c(-c2nn[n-]n2)c1 ZINC000823651809 606877076 /nfs/dbraw/zinc/87/70/76/606877076.db2.gz RGWARAIWXMVCOM-UHFFFAOYSA-N -1 3 358.387 1.558 20 5 FDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000822458649 606969800 /nfs/dbraw/zinc/96/98/00/606969800.db2.gz HIQBVRKYEUQMHE-UHFFFAOYSA-N -1 3 356.346 1.333 20 5 FDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000822458649 606969801 /nfs/dbraw/zinc/96/98/01/606969801.db2.gz HIQBVRKYEUQMHE-UHFFFAOYSA-N -1 3 356.346 1.333 20 5 FDBDHM Cc1ccnc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)c1 ZINC000822374368 607039233 /nfs/dbraw/zinc/03/92/33/607039233.db2.gz SOBMYWMZOMYVHJ-UHFFFAOYSA-N -1 3 367.373 1.200 20 5 FDBDHM Cc1ccnc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)c1 ZINC000822374368 607039236 /nfs/dbraw/zinc/03/92/36/607039236.db2.gz SOBMYWMZOMYVHJ-UHFFFAOYSA-N -1 3 367.373 1.200 20 5 FDBDHM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1n1ccnc1 ZINC000820727042 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O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@@H](O)COCc1ccccc1 ZINC000826499730 607876630 /nfs/dbraw/zinc/87/66/30/607876630.db2.gz UZXREMCQAUJOSQ-ZDUSSCGKSA-N -1 3 371.353 1.731 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCO[C@H](c3cccc(O)c3)C2)c(-c2nnn[n-]2)c1 ZINC000826500706 608015858 /nfs/dbraw/zinc/01/58/58/608015858.db2.gz JALHZUUEOWDORB-AWEZNQCLSA-N -1 3 369.341 1.453 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCO[C@H](c3cccc(O)c3)C2)c(-c2nn[n-]n2)c1 ZINC000826500706 608015859 /nfs/dbraw/zinc/01/58/59/608015859.db2.gz JALHZUUEOWDORB-AWEZNQCLSA-N -1 3 369.341 1.453 20 5 FDBDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000824255517 608164003 /nfs/dbraw/zinc/16/40/03/608164003.db2.gz MNNDLLWSOBHXHN-UHFFFAOYSA-N -1 3 370.373 1.796 20 5 FDBDHM C[C@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824471528 609205340 /nfs/dbraw/zinc/20/53/40/609205340.db2.gz RGUVBLNZFCRKGV-BONVTDFDSA-N -1 3 368.353 1.686 20 5 FDBDHM 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PQKWMSWCMGGSIT-UHFFFAOYSA-N -1 3 364.383 1.454 20 5 FDBDHM CCOC(=O)c1ncc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)[n-]1 ZINC000617872625 555527154 /nfs/dbraw/zinc/52/71/54/555527154.db2.gz WVXBJXBPSMMEGU-UHFFFAOYSA-N -1 3 362.298 1.534 20 5 FDBDHM CCOC(=O)c1nc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c[n-]1 ZINC000617872625 555527156 /nfs/dbraw/zinc/52/71/56/555527156.db2.gz WVXBJXBPSMMEGU-UHFFFAOYSA-N -1 3 362.298 1.534 20 5 FDBDHM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619475198 555783187 /nfs/dbraw/zinc/78/31/87/555783187.db2.gz VSSPUGLSWOJMEB-JTQLQIEISA-N -1 3 360.388 1.469 20 5 FDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC(=O)N(C(C)C)C2=O)cc1C ZINC000481450184 567953886 /nfs/dbraw/zinc/95/38/86/567953886.db2.gz IQRABLXOOHGSFF-LLVKDONJSA-N -1 3 369.399 1.026 20 5 FDBDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000737226124 598994999 /nfs/dbraw/zinc/99/49/99/598994999.db2.gz QEGFGMJNXHETGM-UHFFFAOYSA-N -1 3 361.339 1.851 20 5 FDBDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000737226124 598995000 /nfs/dbraw/zinc/99/50/00/598995000.db2.gz QEGFGMJNXHETGM-UHFFFAOYSA-N -1 3 361.339 1.851 20 5 FDBDHM Cc1ncc([N+](=O)[O-])n1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737497416 599165019 /nfs/dbraw/zinc/16/50/19/599165019.db2.gz CPOOYGGXLKZIJV-UHFFFAOYSA-N -1 3 353.302 1.378 20 5 FDBDHM Cc1ncc([N+](=O)[O-])n1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737497416 599165022 /nfs/dbraw/zinc/16/50/22/599165022.db2.gz CPOOYGGXLKZIJV-UHFFFAOYSA-N -1 3 353.302 1.378 20 5 FDBDHM CCOC(=O)[C@@H](C)N(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825486032 608380650 /nfs/dbraw/zinc/38/06/50/608380650.db2.gz MADKPDNBLUZAFH-SECBINFHSA-N -1 3 371.357 1.711 20 5 FDBDHM COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737117522 598299030 /nfs/dbraw/zinc/29/90/30/598299030.db2.gz XZWZTBWTWOYRKJ-UHFFFAOYSA-N -1 3 372.316 1.853 20 5 FDBDHM COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737117522 598299032 /nfs/dbraw/zinc/29/90/32/598299032.db2.gz XZWZTBWTWOYRKJ-UHFFFAOYSA-N -1 3 372.316 1.853 20 5 FDBDHM Cc1nn(CCC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c(C)c1[N+](=O)[O-] ZINC000737291490 598327420 /nfs/dbraw/zinc/32/74/20/598327420.db2.gz MXSKZBKIHJIOAI-UHFFFAOYSA-N -1 3 370.373 1.925 20 5 FDBDHM Cc1nn(CCC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c(C)c1[N+](=O)[O-] ZINC000737291490 598327422 /nfs/dbraw/zinc/32/74/22/598327422.db2.gz MXSKZBKIHJIOAI-UHFFFAOYSA-N -1 3 370.373 1.925 20 5 FDBDHM COc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1NC(C)=O ZINC000737106399 598497302 /nfs/dbraw/zinc/49/73/02/598497302.db2.gz SBHZLHFPZZWIDN-UHFFFAOYSA-N -1 3 370.329 1.881 20 5 FDBDHM COc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1NC(C)=O ZINC000737106399 598497303 /nfs/dbraw/zinc/49/73/03/598497303.db2.gz SBHZLHFPZZWIDN-UHFFFAOYSA-N -1 3 370.329 1.881 20 5 FDBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCN(CC(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000738374986 598499934 /nfs/dbraw/zinc/49/99/34/598499934.db2.gz WWCJEMLHQVOPTB-QMMMGPOBSA-N 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Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000737303415 598947822 /nfs/dbraw/zinc/94/78/22/598947822.db2.gz KVSCELVAEDHEKT-UHFFFAOYSA-N -1 3 361.339 1.851 20 5 FDBDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000737303415 598947824 /nfs/dbraw/zinc/94/78/24/598947824.db2.gz KVSCELVAEDHEKT-UHFFFAOYSA-N -1 3 361.339 1.851 20 5 FDBDHM O=[N+]([O-])c1cnc(NC[C@@H](CCO)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738369718 598973774 /nfs/dbraw/zinc/97/37/74/598973774.db2.gz NBLVJRQYKBVBGR-GFCCVEGCSA-N -1 3 355.358 1.748 20 5 FDBDHM O=[N+]([O-])c1cnc(NC[C@@H](CCO)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738369718 598973776 /nfs/dbraw/zinc/97/37/76/598973776.db2.gz NBLVJRQYKBVBGR-GFCCVEGCSA-N -1 3 355.358 1.748 20 5 FDBDHM Cc1ccc(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000737346947 599042208 /nfs/dbraw/zinc/04/22/08/599042208.db2.gz JNEMHGOOYIKCOG-UHFFFAOYSA-N -1 3 374.382 1.908 20 5 FDBDHM Cc1ccc(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000737346947 599042212 /nfs/dbraw/zinc/04/22/12/599042212.db2.gz JNEMHGOOYIKCOG-UHFFFAOYSA-N -1 3 374.382 1.908 20 5 FDBDHM CN(C)CCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000820539739 597347847 /nfs/dbraw/zinc/34/78/47/597347847.db2.gz XGJLHEGLKHHIOW-UHFFFAOYSA-N -1 3 363.292 1.702 20 5 FDBDHM O=C(COc1cc(F)cc([N+](=O)[O-])c1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823032425 607327357 /nfs/dbraw/zinc/32/73/57/607327357.db2.gz UAZCBOSGJSHYDY-UHFFFAOYSA-N -1 3 372.316 1.609 20 5 FDBDHM O=C(COc1cc(F)cc([N+](=O)[O-])c1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823032425 607327358 /nfs/dbraw/zinc/32/73/58/607327358.db2.gz UAZCBOSGJSHYDY-UHFFFAOYSA-N -1 3 372.316 1.609 20 5 FDBDHM O=C(COc1cc(F)cc([N+](=O)[O-])c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823031660 607327618 /nfs/dbraw/zinc/32/76/18/607327618.db2.gz FYPQQXWJOZLWMV-UHFFFAOYSA-N -1 3 358.289 1.932 20 5 FDBDHM O=C(COc1cc(F)cc([N+](=O)[O-])c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823031660 607327619 /nfs/dbraw/zinc/32/76/19/607327619.db2.gz FYPQQXWJOZLWMV-UHFFFAOYSA-N 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ZINC000735661602 598485933 /nfs/dbraw/zinc/48/59/33/598485933.db2.gz VMISVOLCSVUHPG-UHFFFAOYSA-N -1 3 373.377 1.557 20 5 FDBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000735661602 598485935 /nfs/dbraw/zinc/48/59/35/598485935.db2.gz VMISVOLCSVUHPG-UHFFFAOYSA-N -1 3 373.377 1.557 20 5 FDBDHM Cc1nc(C)n([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)n1 ZINC000737472898 598502678 /nfs/dbraw/zinc/50/26/78/598502678.db2.gz BNTFXEDEFQCVKO-LLVKDONJSA-N -1 3 370.377 1.220 20 5 FDBDHM Cc1nc(C)n([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)n1 ZINC000737472898 598502680 /nfs/dbraw/zinc/50/26/80/598502680.db2.gz BNTFXEDEFQCVKO-LLVKDONJSA-N -1 3 370.377 1.220 20 5 FDBDHM Cc1cc(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)ccc1[N+](=O)[O-] ZINC000737238150 598617385 /nfs/dbraw/zinc/61/73/85/598617385.db2.gz JABSJUFZABLEEA-UHFFFAOYSA-N -1 3 372.370 1.638 20 5 FDBDHM Cc1cc(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)ccc1[N+](=O)[O-] ZINC000737238150 598617387 /nfs/dbraw/zinc/61/73/87/598617387.db2.gz JABSJUFZABLEEA-UHFFFAOYSA-N -1 3 372.370 1.638 20 5 FDBDHM Cc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000737313633 598675539 /nfs/dbraw/zinc/67/55/39/598675539.db2.gz VRTAVBOZXKMSSL-UHFFFAOYSA-N -1 3 367.369 1.925 20 5 FDBDHM Cc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000737313633 598675541 /nfs/dbraw/zinc/67/55/41/598675541.db2.gz VRTAVBOZXKMSSL-UHFFFAOYSA-N -1 3 367.369 1.925 20 5 FDBDHM O=C([C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1)N1CCCC1 ZINC000737791223 598682204 /nfs/dbraw/zinc/68/22/04/598682204.db2.gz IRSZHDZLHUGPAU-LLVKDONJSA-N -1 3 372.389 1.009 20 5 FDBDHM O=C([C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1)N1CCCC1 ZINC000737791223 598682206 /nfs/dbraw/zinc/68/22/06/598682206.db2.gz IRSZHDZLHUGPAU-LLVKDONJSA-N -1 3 372.389 1.009 20 5 FDBDHM O=[N+]([O-])c1cnc(Nc2cnn(CC(F)(F)F)c2)c(-c2nnn[n-]2)c1 ZINC000738373783 599304658 /nfs/dbraw/zinc/30/46/58/599304658.db2.gz GYXYAMKWFZDYCH-UHFFFAOYSA-N -1 3 355.240 1.672 20 5 FDBDHM O=[N+]([O-])c1cnc(Nc2cnn(CC(F)(F)F)c2)c(-c2nn[n-]n2)c1 ZINC000738373783 599304660 /nfs/dbraw/zinc/30/46/60/599304660.db2.gz GYXYAMKWFZDYCH-UHFFFAOYSA-N -1 3 355.240 1.672 20 5 FDBDHM CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505360 599313404 /nfs/dbraw/zinc/31/34/04/599313404.db2.gz MJVDGNWEOBVVAF-UHFFFAOYSA-N -1 3 370.373 1.723 20 5 FDBDHM CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505360 599313406 /nfs/dbraw/zinc/31/34/06/599313406.db2.gz MJVDGNWEOBVVAF-UHFFFAOYSA-N -1 3 370.373 1.723 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCN(c3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000738369177 599317962 /nfs/dbraw/zinc/31/79/62/599317962.db2.gz IZWQMKVYOJMGBK-UHFFFAOYSA-N -1 3 352.358 1.497 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCN(c3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000738369177 599317964 /nfs/dbraw/zinc/31/79/64/599317964.db2.gz IZWQMKVYOJMGBK-UHFFFAOYSA-N -1 3 352.358 1.497 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3ccncc3)CC2)cc1-c1nnn[n-]1 ZINC000826498913 607451184 /nfs/dbraw/zinc/45/11/84/607451184.db2.gz OEYKWYMIPNHXBP-UHFFFAOYSA-N -1 3 366.385 1.492 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3ccncc3)CC2)cc1-c1nn[n-]n1 ZINC000826498913 607451186 /nfs/dbraw/zinc/45/11/86/607451186.db2.gz OEYKWYMIPNHXBP-UHFFFAOYSA-N -1 3 366.385 1.492 20 5 FDBDHM COC[C@](C)(CC(=O)[O-])NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831578805 601135269 /nfs/dbraw/zinc/13/52/69/601135269.db2.gz QTEYUJCDHRBLMR-AWEZNQCLSA-N -1 3 359.766 1.656 20 5 FDBDHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826471675 607594615 /nfs/dbraw/zinc/59/46/15/607594615.db2.gz JFDCQWDAPVHITN-UHFFFAOYSA-N -1 3 365.353 1.975 20 5 FDBDHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826471675 607594617 /nfs/dbraw/zinc/59/46/17/607594617.db2.gz JFDCQWDAPVHITN-UHFFFAOYSA-N -1 3 365.353 1.975 20 5 FDBDHM CN(C[C@@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000828223141 604098400 /nfs/dbraw/zinc/09/84/00/604098400.db2.gz IQDJBSNXCCBNHG-KBPBESRZSA-N -1 3 353.375 1.409 20 5 FDBDHM O=C([O-])N1CCC[C@H]1[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000834109255 605647209 /nfs/dbraw/zinc/64/72/09/605647209.db2.gz SQMKSENCOQLBBO-ZFWWWQNUSA-N -1 3 364.402 1.611 20 5 FDBDHM O=C([O-])N1CCC[C@H]1[C@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000834108400 605650434 /nfs/dbraw/zinc/65/04/34/605650434.db2.gz PTVGKVPKPHCLET-CABCVRRESA-N -1 3 364.402 1.753 20 5 FDBDHM COCc1cc([N+](=O)[O-])ccc1NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000821695281 606136212 /nfs/dbraw/zinc/13/62/12/606136212.db2.gz QKWITBAKVIPMMN-UHFFFAOYSA-N -1 3 370.373 1.840 20 5 FDBDHM COCc1cc([N+](=O)[O-])ccc1NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000821695281 606136213 /nfs/dbraw/zinc/13/62/13/606136213.db2.gz QKWITBAKVIPMMN-UHFFFAOYSA-N -1 3 370.373 1.840 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CCC(OC[C@@H]3CCCO3)CC2)c(-c2nnn[n-]2)c1 ZINC000823640144 606232183 /nfs/dbraw/zinc/23/21/83/606232183.db2.gz VFWJRGIUYIAMAQ-AWEZNQCLSA-N -1 3 374.401 1.939 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CCC(OC[C@@H]3CCCO3)CC2)c(-c2nn[n-]n2)c1 ZINC000823640144 606232185 /nfs/dbraw/zinc/23/21/85/606232185.db2.gz VFWJRGIUYIAMAQ-AWEZNQCLSA-N -1 3 374.401 1.939 20 5 FDBDHM O=C1[C@H](Nc2cccc([N+](=O)[O-])c2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823510798 606242811 /nfs/dbraw/zinc/24/28/11/606242811.db2.gz ADQHNLSVCMRDIG-OAHLLOKOSA-N -1 3 365.353 1.992 20 5 FDBDHM O=C1[C@H](Nc2cccc([N+](=O)[O-])c2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823510798 606242812 /nfs/dbraw/zinc/24/28/12/606242812.db2.gz ADQHNLSVCMRDIG-OAHLLOKOSA-N -1 3 365.353 1.992 20 5 FDBDHM C[C@@H](N1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC000820307551 606471973 /nfs/dbraw/zinc/47/19/73/606471973.db2.gz NQWUYHSDUIWZBF-SECBINFHSA-N -1 3 371.323 1.848 20 5 FDBDHM C[C@@H](N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC000820307551 606471975 /nfs/dbraw/zinc/47/19/75/606471975.db2.gz NQWUYHSDUIWZBF-SECBINFHSA-N -1 3 371.323 1.848 20 5 FDBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823215481 606512106 /nfs/dbraw/zinc/51/21/06/606512106.db2.gz PAKIJBSGVKGZDY-UHFFFAOYSA-N -1 3 360.355 1.645 20 5 FDBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823215481 606512107 /nfs/dbraw/zinc/51/21/07/606512107.db2.gz PAKIJBSGVKGZDY-UHFFFAOYSA-N -1 3 360.355 1.645 20 5 FDBDHM CCOC(=O)CCN(CC1CC1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821330796 606757178 /nfs/dbraw/zinc/75/71/78/606757178.db2.gz SFCPKPLSNFSAGG-UHFFFAOYSA-N -1 3 360.374 1.945 20 5 FDBDHM CCOC(=O)CCN(CC1CC1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821330796 606757179 /nfs/dbraw/zinc/75/71/79/606757179.db2.gz SFCPKPLSNFSAGG-UHFFFAOYSA-N -1 3 360.374 1.945 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](Oc3cccnc3)C2)c(-c2nnn[n-]2)c1 ZINC000823639808 606790700 /nfs/dbraw/zinc/79/07/00/606790700.db2.gz HNVZBQKJWXSQOY-CYBMUJFWSA-N -1 3 353.342 1.828 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](Oc3cccnc3)C2)c(-c2nn[n-]n2)c1 ZINC000823639808 606790702 /nfs/dbraw/zinc/79/07/02/606790702.db2.gz HNVZBQKJWXSQOY-CYBMUJFWSA-N -1 3 353.342 1.828 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CC(c3nc4ccccc4[nH]3)C2)c(-c2nnn[n-]2)c1 ZINC000823647202 607022139 /nfs/dbraw/zinc/02/21/39/607022139.db2.gz HVCDWBWRIRSBSS-UHFFFAOYSA-N -1 3 363.341 1.650 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CC(c3nc4ccccc4[nH]3)C2)c(-c2nn[n-]n2)c1 ZINC000823647202 607022141 /nfs/dbraw/zinc/02/21/41/607022141.db2.gz HVCDWBWRIRSBSS-UHFFFAOYSA-N -1 3 363.341 1.650 20 5 FDBDHM O=c1c([N+](=O)[O-])cn(Cc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC000823657920 607170291 /nfs/dbraw/zinc/17/02/91/607170291.db2.gz WOIMXZVFXKZJMD-UHFFFAOYSA-N -1 3 361.249 1.032 20 5 FDBDHM O=c1c([N+](=O)[O-])cn(Cc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC000823657920 607170292 /nfs/dbraw/zinc/17/02/92/607170292.db2.gz WOIMXZVFXKZJMD-UHFFFAOYSA-N -1 3 361.249 1.032 20 5 FDBDHM Cc1ccc(OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000826292497 607863889 /nfs/dbraw/zinc/86/38/89/607863889.db2.gz XAQMIDOJUODGOS-UHFFFAOYSA-N -1 3 368.353 1.779 20 5 FDBDHM Cc1ccc(OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826292497 607863890 /nfs/dbraw/zinc/86/38/90/607863890.db2.gz XAQMIDOJUODGOS-UHFFFAOYSA-N -1 3 368.353 1.779 20 5 FDBDHM O=[N+]([O-])c1cccc(OC[C@@H](O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826499685 607871212 /nfs/dbraw/zinc/87/12/12/607871212.db2.gz SEVMMWQHLPWVDG-ZDUSSCGKSA-N -1 3 357.326 1.594 20 5 FDBDHM O=[N+]([O-])c1cccc(OC[C@@H](O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826499685 607871213 /nfs/dbraw/zinc/87/12/13/607871213.db2.gz SEVMMWQHLPWVDG-ZDUSSCGKSA-N -1 3 357.326 1.594 20 5 FDBDHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000826255099 607876469 /nfs/dbraw/zinc/87/64/69/607876469.db2.gz LNEGOTNKMYEEKV-CQSZACIVSA-N -1 3 371.353 1.902 20 5 FDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@@H](O)COc1ccccc1 ZINC000826499672 607876638 /nfs/dbraw/zinc/87/66/38/607876638.db2.gz RSLQYNTWJYGKKM-NSHDSACASA-N -1 3 357.326 1.594 20 5 FDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@@H](O)COc1ccccc1 ZINC000826499672 607876639 /nfs/dbraw/zinc/87/66/39/607876639.db2.gz RSLQYNTWJYGKKM-NSHDSACASA-N -1 3 357.326 1.594 20 5 FDBDHM CC[C@@H]1CN(C(C)=O)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825210128 607904468 /nfs/dbraw/zinc/90/44/68/607904468.db2.gz FNKSGGYDNQHQTO-BXUZGUMPSA-N -1 3 359.390 1.834 20 5 FDBDHM CC[C@@H]1CN(C(C)=O)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825210128 607904469 /nfs/dbraw/zinc/90/44/69/607904469.db2.gz FNKSGGYDNQHQTO-BXUZGUMPSA-N -1 3 359.390 1.834 20 5 FDBDHM Nc1c(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cccc1[N+](=O)[O-] ZINC000826395571 607949018 /nfs/dbraw/zinc/94/90/18/607949018.db2.gz JGTLQANZWQSFSG-UHFFFAOYSA-N -1 3 351.326 1.560 20 5 FDBDHM Nc1c(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cccc1[N+](=O)[O-] ZINC000826395571 607949019 /nfs/dbraw/zinc/94/90/19/607949019.db2.gz JGTLQANZWQSFSG-UHFFFAOYSA-N -1 3 351.326 1.560 20 5 FDBDHM CCCc1[nH]nc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1[N+](=O)[O-] ZINC000825348367 607953072 /nfs/dbraw/zinc/95/30/72/607953072.db2.gz 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O=C(CCn1ccnn1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826409968 608163631 /nfs/dbraw/zinc/16/36/31/608163631.db2.gz WIECTHLJRCDZPY-UHFFFAOYSA-N -1 3 363.725 1.049 20 5 FDBDHM CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000825211095 608235026 /nfs/dbraw/zinc/23/50/26/608235026.db2.gz KZGUOZMQDMJTTC-LLVKDONJSA-N -1 3 367.360 1.941 20 5 FDBDHM CC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000825211095 608235029 /nfs/dbraw/zinc/23/50/29/608235029.db2.gz KZGUOZMQDMJTTC-LLVKDONJSA-N -1 3 367.360 1.941 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCN(c3ccc(F)cn3)CC2)c(-c2nnn[n-]2)c1 ZINC000826501003 608414128 /nfs/dbraw/zinc/41/41/28/608414128.db2.gz VGEORANRROMDQV-UHFFFAOYSA-N -1 3 371.336 1.031 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCN(c3ccc(F)cn3)CC2)c(-c2nn[n-]n2)c1 ZINC000826501003 608414130 /nfs/dbraw/zinc/41/41/30/608414130.db2.gz VGEORANRROMDQV-UHFFFAOYSA-N -1 3 371.336 1.031 20 5 FDBDHM COc1cc(CCNc2cnccc2-c2nnn[n-]2)c([N+](=O)[O-])cc1OC ZINC000826178736 608768929 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357.305 1.625 20 5 FDBDHM Nc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cn1 ZINC000737775795 598628585 /nfs/dbraw/zinc/62/85/85/598628585.db2.gz CLQVOQAXISORPX-UHFFFAOYSA-N -1 3 367.373 1.079 20 5 FDBDHM Nc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)cn1 ZINC000737775795 598628586 /nfs/dbraw/zinc/62/85/86/598628586.db2.gz CLQVOQAXISORPX-UHFFFAOYSA-N -1 3 367.373 1.079 20 5 FDBDHM CC(C)c1nnc2n1C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC000735952660 598671173 /nfs/dbraw/zinc/67/11/73/598671173.db2.gz KAYNDXPQTMOSNS-VIFPVBQESA-N -1 3 370.377 1.312 20 5 FDBDHM CC(C)c1nnc2n1C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)CC2 ZINC000735952660 598671175 /nfs/dbraw/zinc/67/11/75/598671175.db2.gz KAYNDXPQTMOSNS-VIFPVBQESA-N -1 3 370.377 1.312 20 5 FDBDHM Cc1csc([C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CCO2)n1 ZINC000737451428 598671886 /nfs/dbraw/zinc/67/18/86/598671886.db2.gz CPNNDLRNBOJBBU-LLVKDONJSA-N -1 3 374.386 1.513 20 5 FDBDHM 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598502546 /nfs/dbraw/zinc/50/25/46/598502546.db2.gz BSVXGSKTCITEFZ-NSHDSACASA-N -1 3 355.362 1.516 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)s1 ZINC000738366137 598560847 /nfs/dbraw/zinc/56/08/47/598560847.db2.gz DTWJTBHIGUFRCT-UHFFFAOYSA-N -1 3 371.331 1.743 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)s1 ZINC000738366137 598560845 /nfs/dbraw/zinc/56/08/45/598560845.db2.gz DTWJTBHIGUFRCT-UHFFFAOYSA-N -1 3 371.331 1.743 20 5 FDBDHM O=C(COC(=O)c1sccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000737914977 598598387 /nfs/dbraw/zinc/59/83/87/598598387.db2.gz AZZGDJHQCROSPH-UHFFFAOYSA-N -1 3 359.323 1.876 20 5 FDBDHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCS2)c1ccc([N+](=O)[O-])cc1 ZINC000738208861 598615706 /nfs/dbraw/zinc/61/57/06/598615706.db2.gz OFOPOUSQQYWQNR-UHFFFAOYSA-N -1 3 358.343 1.329 20 5 FDBDHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCS2)c1ccc([N+](=O)[O-])cc1 ZINC000738208861 598615707 /nfs/dbraw/zinc/61/57/07/598615707.db2.gz OFOPOUSQQYWQNR-UHFFFAOYSA-N -1 3 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OZZYVBXWFQSQNY-MRVPVSSYSA-N -1 3 373.412 1.541 20 5 FDBDHM CCc1nn(C)c(NCC[N-]S(=O)(=O)c2cccs2)c1[N+](=O)[O-] ZINC000091669787 524760148 /nfs/dbraw/zinc/76/01/48/524760148.db2.gz IPAUTVOWPYWEAU-UHFFFAOYSA-N -1 3 359.433 1.343 20 5 FDBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)[C@@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000123760857 524824417 /nfs/dbraw/zinc/82/44/17/524824417.db2.gz YMNGOWZKOQFYGU-NXEZZACHSA-N -1 3 363.461 1.352 20 5 FDBDHM C[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[S@@](C)=O ZINC000124019007 524881885 /nfs/dbraw/zinc/88/18/85/524881885.db2.gz PXKZGRMZBSSAQN-SQFXPLBJSA-N -1 3 354.837 1.684 20 5 FDBDHM NC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000152537174 524918610 /nfs/dbraw/zinc/91/86/10/524918610.db2.gz FHKZPSXMIKOBAP-CQSZACIVSA-N -1 3 367.358 1.380 20 5 FDBDHM Cc1sc(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@H]2O)cc1[N+](=O)[O-] ZINC000124288465 524946075 /nfs/dbraw/zinc/94/60/75/524946075.db2.gz FKFSWXGPVNBNLZ-OCCSQVGLSA-N -1 3 354.409 1.901 20 5 FDBDHM O=C(c1ccc2n[n-]nc2c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000125458458 525203286 /nfs/dbraw/zinc/20/32/86/525203286.db2.gz WSXYKYHJTLYBED-NSHDSACASA-N -1 3 353.342 1.588 20 5 FDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNCc1cccc(F)c1F ZINC000116922618 525253301 /nfs/dbraw/zinc/25/33/01/525253301.db2.gz LKDRDSOKDIPHQA-UHFFFAOYSA-N -1 3 371.365 1.941 20 5 FDBDHM CCC1(C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000177388560 525285248 /nfs/dbraw/zinc/28/52/48/525285248.db2.gz JQPLHSMJWHSNKH-UHFFFAOYSA-N -1 3 355.416 1.570 20 5 FDBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N(C)C)c([N+](=O)[O-])c1 ZINC000105549066 525516514 /nfs/dbraw/zinc/51/65/14/525516514.db2.gz BLIFUHISDMIIHE-ZDUSSCGKSA-N -1 3 369.399 1.778 20 5 FDBDHM O=C(c1ccccc1[O-])N1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154560228 525574429 /nfs/dbraw/zinc/57/44/29/525574429.db2.gz FWAIYSBXFLDCBB-SFHVURJKSA-N -1 3 371.393 1.792 20 5 FDBDHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119389246 525729698 /nfs/dbraw/zinc/72/96/98/525729698.db2.gz GZXGPKCVKIVRIC-UHFFFAOYSA-N -1 3 351.318 1.677 20 5 FDBDHM Cc1c(C(=O)[N-]c2nc3ccccn3n2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000133173640 526030076 /nfs/dbraw/zinc/03/00/76/526030076.db2.gz MVACVRGYUDAPSX-UHFFFAOYSA-N -1 3 364.325 1.779 20 5 FDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN2CCCOCC2)cc1C ZINC000189104234 536998098 /nfs/dbraw/zinc/99/80/98/536998098.db2.gz KPAOMFGDLKTVQC-UHFFFAOYSA-N -1 3 357.432 1.212 20 5 FDBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000189129739 537002440 /nfs/dbraw/zinc/00/24/40/537002440.db2.gz VAEHLQFZGZFLHB-GFCCVEGCSA-N -1 3 357.432 1.756 20 5 FDBDHM CCOC(=O)C(=C([O-])Cn1cccc([N+](=O)[O-])c1=O)c1nc(C)cs1 ZINC000263640658 537048963 /nfs/dbraw/zinc/04/89/63/537048963.db2.gz AXIOQPFMCAOQNZ-LBPRGKRZSA-N -1 3 365.367 1.437 20 5 FDBDHM CCOC(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276299102 537402605 /nfs/dbraw/zinc/40/26/05/537402605.db2.gz CJGZYJDMNUMDDC-UHFFFAOYSA-N -1 3 360.388 1.475 20 5 FDBDHM COc1c(S(=O)(=O)[N-]CCF)cc(Br)c(C)c1[N+](=O)[O-] ZINC000280729245 537447689 /nfs/dbraw/zinc/44/76/89/537447689.db2.gz JUQBYILNNIKIOY-UHFFFAOYSA-N -1 3 371.184 1.922 20 5 FDBDHM Cn1c(=O)[n-]c(=O)c2cc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)cnc21 ZINC000349864775 537456789 /nfs/dbraw/zinc/45/67/89/537456789.db2.gz FCFJCYUDGWBTRN-UHFFFAOYSA-N -1 3 366.293 1.659 20 5 FDBDHM CC(C)c1ccc(C(=O)[N-]c2nc(CS(C)(=O)=O)no2)cc1[N+](=O)[O-] ZINC000275900450 537588207 /nfs/dbraw/zinc/58/82/07/537588207.db2.gz RSCCFWQYNITWMR-UHFFFAOYSA-N -1 3 368.371 1.898 20 5 FDBDHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000237136350 537614637 /nfs/dbraw/zinc/61/46/37/537614637.db2.gz SEQULSNIHHZZCW-UHFFFAOYSA-N -1 3 374.191 1.446 20 5 FDBDHM COC(=O)C1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000325841258 537628227 /nfs/dbraw/zinc/62/82/27/537628227.db2.gz WJYXIDSQBOSKAF-UHFFFAOYSA-N -1 3 360.363 1.744 20 5 FDBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1CCCSC1 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538603695 /nfs/dbraw/zinc/60/36/95/538603695.db2.gz OFKHLOOMZGBGGS-UHFFFAOYSA-N -1 3 351.340 1.240 20 5 FDBDHM Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000481306458 538874739 /nfs/dbraw/zinc/87/47/39/538874739.db2.gz HXSNGBTUFLRZQB-UHFFFAOYSA-N -1 3 373.369 1.525 20 5 FDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2nnc(C(C)C)n2C)c1C ZINC000564278361 546867050 /nfs/dbraw/zinc/86/70/50/546867050.db2.gz PGFSYZZAJPTHIE-UHFFFAOYSA-N -1 3 367.431 1.942 20 5 FDBDHM COCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567944788 548332228 /nfs/dbraw/zinc/33/22/28/548332228.db2.gz ZDEXPEWRAAKDCB-NSHDSACASA-N -1 3 357.794 1.794 20 5 FDBDHM CCn1cc(S(=O)(=O)[N-][C@@H](C)CN2CCC(C)CC2)c([N+](=O)[O-])n1 ZINC000570409587 549269896 /nfs/dbraw/zinc/26/98/96/549269896.db2.gz AHXTXXVZLVUWMV-LBPRGKRZSA-N -1 3 359.452 1.210 20 5 FDBDHM Cc1cc(N2CCN(CC(C)(C)O)[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000571883972 549791197 /nfs/dbraw/zinc/79/11/97/549791197.db2.gz KAAAMTMEHVPEOJ-LBPRGKRZSA-N -1 3 351.403 1.883 20 5 FDBDHM Cn1cc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000574157602 550267698 /nfs/dbraw/zinc/26/76/98/550267698.db2.gz FNRGAMLKCZMZTK-UHFFFAOYSA-N -1 3 359.795 1.590 20 5 FDBDHM COc1ccc(S(=O)(=O)[N-]C(C)(C)c2ncccn2)c([N+](=O)[O-])c1 ZINC000574269992 550286548 /nfs/dbraw/zinc/28/65/48/550286548.db2.gz ZQJUGRBRNYPGLO-UHFFFAOYSA-N -1 3 352.372 1.607 20 5 FDBDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)n[nH]1 ZINC000574688507 550355029 /nfs/dbraw/zinc/35/50/29/550355029.db2.gz REYQGPCFDIYDJQ-SECBINFHSA-N -1 3 353.404 1.877 20 5 FDBDHM CCN(C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000577229631 550634888 /nfs/dbraw/zinc/63/48/88/550634888.db2.gz PAQOWNHDVFPQDX-LBPRGKRZSA-N -1 3 357.432 1.766 20 5 FDBDHM O=C1NCc2c1cccc2[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000583714889 551391531 /nfs/dbraw/zinc/39/15/31/551391531.db2.gz JDCURNMAHXFTKF-UHFFFAOYSA-N -1 3 361.379 1.823 20 5 FDBDHM COc1ccc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)cn1 ZINC000590589118 551795272 /nfs/dbraw/zinc/79/52/72/551795272.db2.gz RPLDUODPQWVWBV-UHFFFAOYSA-N -1 3 355.347 1.924 20 5 FDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000590762514 551814148 /nfs/dbraw/zinc/81/41/48/551814148.db2.gz VTMYNHJNBZBBIO-IUODEOHRSA-N -1 3 370.427 1.679 20 5 FDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(C)(C)[C@@]1(O)CCOC1 ZINC000592088487 551938824 /nfs/dbraw/zinc/93/88/24/551938824.db2.gz WZDFTYZYQJFGLU-OAHLLOKOSA-N -1 3 358.416 1.359 20 5 FDBDHM COC(=O)COc1ccc(CN2[C@@H](C)CC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000593333819 552090911 /nfs/dbraw/zinc/09/09/11/552090911.db2.gz VWLPDVDQGQAOPW-JQWIXIFHSA-N -1 3 352.343 1.584 20 5 FDBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)N1CCc2ccccc21 ZINC000593530082 552124530 /nfs/dbraw/zinc/12/45/30/552124530.db2.gz GZGKHNHIIJYXAG-LBPRGKRZSA-N -1 3 362.411 1.719 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCN2CCCc3ccccc32)nc1 ZINC000593532783 552125356 /nfs/dbraw/zinc/12/53/56/552125356.db2.gz STZOFEJPTXVKTM-UHFFFAOYSA-N -1 3 362.411 1.721 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCN(c3ccccc3)CC2)nc1 ZINC000593536233 552126104 /nfs/dbraw/zinc/12/61/04/552126104.db2.gz WDFGKXGMQNOMFN-UHFFFAOYSA-N -1 3 362.411 1.937 20 5 FDBDHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000593535671 552126222 /nfs/dbraw/zinc/12/62/22/552126222.db2.gz CIAJHZCAQNZOIY-HNNXBMFYSA-N -1 3 364.427 1.879 20 5 FDBDHM C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593559794 552134177 /nfs/dbraw/zinc/13/41/77/552134177.db2.gz OBQUSTMEBGLUKX-UPJWGTAASA-N -1 3 356.448 1.635 20 5 FDBDHM COC(=O)CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCCC1 ZINC000593577672 552141626 /nfs/dbraw/zinc/14/16/26/552141626.db2.gz GJTOEWMMAJBRQM-UHFFFAOYSA-N -1 3 371.415 1.782 20 5 FDBDHM Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593583961 552143666 /nfs/dbraw/zinc/14/36/66/552143666.db2.gz XPZCRAHFLYVVPV-ZDUSSCGKSA-N -1 3 351.384 1.180 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(F)cc3)C2)nc1 ZINC000593606853 552150316 /nfs/dbraw/zinc/15/03/16/552150316.db2.gz DJOPXEGNQCSBNO-GFCCVEGCSA-N -1 3 366.374 1.686 20 5 FDBDHM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000593631891 552156841 /nfs/dbraw/zinc/15/68/41/552156841.db2.gz HYYUNFOTHXWMSH-SNVBAGLBSA-N -1 3 371.346 1.323 20 5 FDBDHM CC(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)C ZINC000594490944 552325223 /nfs/dbraw/zinc/32/52/23/552325223.db2.gz XCMKOUCQIILTHY-LBPRGKRZSA-N -1 3 359.404 1.634 20 5 FDBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C1CC1 ZINC000594776493 552380703 /nfs/dbraw/zinc/38/07/03/552380703.db2.gz DTPPGBGHPFIWKJ-ZDUSSCGKSA-N -1 3 351.384 1.846 20 5 FDBDHM C[C@@H]1CN(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000594816080 552395859 /nfs/dbraw/zinc/39/58/59/552395859.db2.gz DPVQNYQNIOSCIY-WDEREUQCSA-N -1 3 361.395 1.121 20 5 FDBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000594847330 552407046 /nfs/dbraw/zinc/40/70/46/552407046.db2.gz DDLAFGXSWOEGAG-VXNVDRBHSA-N -1 3 368.458 1.209 20 5 FDBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@@H]1C[C@H](O)C12CCC2 ZINC000594863954 552413609 /nfs/dbraw/zinc/41/36/09/552413609.db2.gz LIIJSKVERVVHRL-KGLIPLIRSA-N -1 3 363.395 1.725 20 5 FDBDHM COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000595403302 552551118 /nfs/dbraw/zinc/55/11/18/552551118.db2.gz KOAXZCZLBGBYSZ-FIDNZITISA-N -1 3 374.440 1.831 20 5 FDBDHM CC[C@H](NC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000595789245 552615425 /nfs/dbraw/zinc/61/54/25/552615425.db2.gz PZVLQTXHXLXECQ-LBPRGKRZSA-N -1 3 370.431 1.361 20 5 FDBDHM O=C(c1ccc(F)c(F)c1)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596074268 552652914 /nfs/dbraw/zinc/65/29/14/552652914.db2.gz CWZLYMGRGXCDMK-UHFFFAOYSA-N -1 3 364.308 1.936 20 5 FDBDHM O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000597989666 552853096 /nfs/dbraw/zinc/85/30/96/552853096.db2.gz GVFAATHVDPVCSL-OAHLLOKOSA-N -1 3 371.393 1.797 20 5 FDBDHM O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000597992322 552853811 /nfs/dbraw/zinc/85/38/11/552853811.db2.gz UREIJPPCKFJWAK-MRXNPFEDSA-N -1 3 371.393 1.797 20 5 FDBDHM Cc1c(C(=O)[N-]c2nn3cnnc3s2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000598565429 552910196 /nfs/dbraw/zinc/91/01/96/552910196.db2.gz OEMROFHGAMEWNQ-UHFFFAOYSA-N -1 3 371.342 1.235 20 5 FDBDHM Cc1ccc(S(=O)(=O)N2CCc3c(nc[n-]c3=O)C2)c(C)c1[N+](=O)[O-] ZINC000598606247 552914443 /nfs/dbraw/zinc/91/44/43/552914443.db2.gz FVEYWWSDGZPDIJ-UHFFFAOYSA-N -1 3 364.383 1.454 20 5 FDBDHM CN(CCC[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000599206748 552985430 /nfs/dbraw/zinc/98/54/30/552985430.db2.gz IWYSFUPYXTYELW-UHFFFAOYSA-N -1 3 367.431 1.129 20 5 FDBDHM C[C@@H](C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000599232094 552995560 /nfs/dbraw/zinc/99/55/60/552995560.db2.gz NVEPCEIVDVZQOY-LBPRGKRZSA-N -1 3 367.431 1.127 20 5 FDBDHM C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000599281182 553014134 /nfs/dbraw/zinc/01/41/34/553014134.db2.gz IODQHRRYNKALLD-BXUZGUMPSA-N -1 3 367.431 1.298 20 5 FDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCS(=O)(=O)[C@@H]2C)c1C ZINC000599457175 553062117 /nfs/dbraw/zinc/06/21/17/553062117.db2.gz DJIWZRWIMOVUSZ-GHMZBOCLSA-N -1 3 362.429 1.066 20 5 FDBDHM COCCCCS(=O)(=O)[N-][C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000599485593 553070686 /nfs/dbraw/zinc/07/06/86/553070686.db2.gz GMDXCVVWMAQYGF-OAHLLOKOSA-N -1 3 374.415 1.329 20 5 FDBDHM CN(C)C1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000601449874 553408693 /nfs/dbraw/zinc/40/86/93/553408693.db2.gz DRZGTAWALUEYDG-UHFFFAOYSA-N -1 3 367.349 1.986 20 5 FDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCOCC(F)(F)F ZINC000603640286 553808008 /nfs/dbraw/zinc/80/80/08/553808008.db2.gz SCWHAMPNFIUACL-UHFFFAOYSA-N -1 3 358.294 1.461 20 5 FDBDHM Cc1ccc(CC[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000609121220 554339025 /nfs/dbraw/zinc/33/90/25/554339025.db2.gz MYWSSTYWBKJCQC-UHFFFAOYSA-N -1 3 368.367 1.788 20 5 FDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCN1CCCCC1=O ZINC000609315430 554364218 /nfs/dbraw/zinc/36/42/18/554364218.db2.gz WULONPDLYSKPGF-UHFFFAOYSA-N -1 3 371.415 1.284 20 5 FDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000609619436 554403189 /nfs/dbraw/zinc/40/31/89/554403189.db2.gz RZEDYVRIKANYGG-GWCFXTLKSA-N -1 3 350.400 1.704 20 5 FDBDHM Cc1cc(C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)[nH]1 ZINC000609730396 554416280 /nfs/dbraw/zinc/41/62/80/554416280.db2.gz XESXGIVUFKTNRX-UHFFFAOYSA-N -1 3 366.399 1.248 20 5 FDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609766566 554419419 /nfs/dbraw/zinc/41/94/19/554419419.db2.gz PTYAWCUDGWMQAL-SNVBAGLBSA-N -1 3 357.326 1.090 20 5 FDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(C(N)=O)cc1 ZINC000610503617 554520125 /nfs/dbraw/zinc/52/01/25/554520125.db2.gz RLGKNLXAYCHMOX-UHFFFAOYSA-N -1 3 365.367 1.181 20 5 FDBDHM CCn1cc(S(=O)(=O)[N-]C[C@@H](C)N2CCCC[C@@H]2C)c([N+](=O)[O-])n1 ZINC000611106256 554605662 /nfs/dbraw/zinc/60/56/62/554605662.db2.gz WMVRGGLUNJOTLD-NWDGAFQWSA-N -1 3 359.452 1.352 20 5 FDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C)cn(C)c1=O ZINC000619468025 555782377 /nfs/dbraw/zinc/78/23/77/555782377.db2.gz SLCGNSAITBTWPJ-UHFFFAOYSA-N -1 3 353.356 1.411 20 5 FDBDHM CCn1cccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1=O ZINC000619500277 555790644 /nfs/dbraw/zinc/79/06/44/555790644.db2.gz GAYCZHGZFWUQRJ-UHFFFAOYSA-N -1 3 367.383 1.264 20 5 FDBDHM O=C(CCOc1ccccc1[N+](=O)[O-])NCCNC(=O)c1ccc([O-])cc1 ZINC000436681822 568281722 /nfs/dbraw/zinc/28/17/22/568281722.db2.gz OLYNCHJYVUVICU-UHFFFAOYSA-N -1 3 373.365 1.616 20 5 FDBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000738367317 598866575 /nfs/dbraw/zinc/86/65/75/598866575.db2.gz QRPUICHQTHLEPS-UHFFFAOYSA-N -1 3 365.302 1.682 20 5 FDBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000738367317 598866576 /nfs/dbraw/zinc/86/65/76/598866576.db2.gz QRPUICHQTHLEPS-UHFFFAOYSA-N -1 3 365.302 1.682 20 5 FDBDHM C[C@H](N[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000736123271 599093859 /nfs/dbraw/zinc/09/38/59/599093859.db2.gz ASMZPVVFGKQWBI-ZUZCIYMTSA-N -1 3 367.369 1.652 20 5 FDBDHM C[C@H](N[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000736123271 599093862 /nfs/dbraw/zinc/09/38/62/599093862.db2.gz ASMZPVVFGKQWBI-ZUZCIYMTSA-N -1 3 367.369 1.652 20 5 FDBDHM NC(=O)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737745405 599112393 /nfs/dbraw/zinc/11/23/93/599112393.db2.gz YGOYTIQJOKAVMV-CYBMUJFWSA-N -1 3 368.309 1.158 20 5 FDBDHM NC(=O)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737745405 599112395 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C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)[O-] ZINC000739180240 602780980 /nfs/dbraw/zinc/78/09/80/602780980.db2.gz OCONRPUGHJSLRB-ZLDLUXBVSA-N -1 3 353.375 1.313 20 5 FDBDHM C[C@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000824651429 607591429 /nfs/dbraw/zinc/59/14/29/607591429.db2.gz ZPWJYKFDUZLQFA-JTQLQIEISA-N -1 3 374.382 1.814 20 5 FDBDHM C[C@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000824651429 607591431 /nfs/dbraw/zinc/59/14/31/607591431.db2.gz ZPWJYKFDUZLQFA-JTQLQIEISA-N -1 3 374.382 1.814 20 5 FDBDHM C[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1CNC(=O)[O-] ZINC000825925198 603708315 /nfs/dbraw/zinc/70/83/15/603708315.db2.gz NNNOXJOVPUISIO-XNRPHZJLSA-N -1 3 367.402 1.703 20 5 FDBDHM O=[N+]([O-])c1ccccc1CCNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826500399 607651782 /nfs/dbraw/zinc/65/17/82/607651782.db2.gz XETHKHFTBZEVLD-UHFFFAOYSA-N -1 3 374.382 1.296 20 5 FDBDHM O=[N+]([O-])c1ccccc1CCNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826500399 607651783 /nfs/dbraw/zinc/65/17/83/607651783.db2.gz XETHKHFTBZEVLD-UHFFFAOYSA-N -1 3 374.382 1.296 20 5 FDBDHM Cc1c(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000826236324 607660339 /nfs/dbraw/zinc/66/03/39/607660339.db2.gz HHQCITMOCLXPNE-UHFFFAOYSA-N -1 3 352.354 1.942 20 5 FDBDHM Cc1c(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000826236324 607660341 /nfs/dbraw/zinc/66/03/41/607660341.db2.gz HHQCITMOCLXPNE-UHFFFAOYSA-N -1 3 352.354 1.942 20 5 FDBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](NC(=O)[O-])C1 ZINC000739933262 604432142 /nfs/dbraw/zinc/43/21/42/604432142.db2.gz NVIFNDATRSOGQG-SNVBAGLBSA-N -1 3 352.347 1.274 20 5 FDBDHM O=C([O-])C1(NCc2ccc(Cl)c([N+](=O)[O-])c2)CCS(=O)(=O)CC1 ZINC000833176114 604437706 /nfs/dbraw/zinc/43/77/06/604437706.db2.gz YLFRKDAAIMIDBU-UHFFFAOYSA-N -1 3 362.791 1.370 20 5 FDBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)nc1 ZINC000826498573 607728987 /nfs/dbraw/zinc/72/89/87/607728987.db2.gz AWPVXSDFOHHPLF-SNVBAGLBSA-N -1 3 353.346 1.256 20 5 FDBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)nc1 ZINC000826498573 607728989 /nfs/dbraw/zinc/72/89/89/607728989.db2.gz AWPVXSDFOHHPLF-SNVBAGLBSA-N -1 3 353.346 1.256 20 5 FDBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCCn1ccc([N+](=O)[O-])n1 ZINC000822936657 606225871 /nfs/dbraw/zinc/22/58/71/606225871.db2.gz WOBUOIVMKUROLJ-AATRIKPKSA-N -1 3 355.314 1.228 20 5 FDBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCCn1ccc([N+](=O)[O-])n1 ZINC000822936657 606225873 /nfs/dbraw/zinc/22/58/73/606225873.db2.gz WOBUOIVMKUROLJ-AATRIKPKSA-N -1 3 355.314 1.228 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CCC(O[C@@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823640132 606244181 /nfs/dbraw/zinc/24/41/81/606244181.db2.gz UUIOSMHOWABLDU-CYBMUJFWSA-N -1 3 360.374 1.549 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CCC(O[C@@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1 ZINC000823640132 606244182 /nfs/dbraw/zinc/24/41/82/606244182.db2.gz UUIOSMHOWABLDU-CYBMUJFWSA-N -1 3 360.374 1.549 20 5 FDBDHM O=c1[nH]c2ccccc2n1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000823656741 606429763 /nfs/dbraw/zinc/42/97/63/606429763.db2.gz GIHJDQKGTKVENG-UHFFFAOYSA-N -1 3 367.329 1.337 20 5 FDBDHM O=c1[nH]c2ccccc2n1CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000823656741 606429765 /nfs/dbraw/zinc/42/97/65/606429765.db2.gz GIHJDQKGTKVENG-UHFFFAOYSA-N -1 3 367.329 1.337 20 5 FDBDHM COC(=O)c1cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc([N+](=O)[O-])c1 ZINC000821667882 606514612 /nfs/dbraw/zinc/51/46/12/606514612.db2.gz FPWFUCQPTYBSCU-UHFFFAOYSA-N -1 3 374.338 1.875 20 5 FDBDHM COC(=O)c1cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc([N+](=O)[O-])c1 ZINC000821667882 606514613 /nfs/dbraw/zinc/51/46/13/606514613.db2.gz FPWFUCQPTYBSCU-UHFFFAOYSA-N -1 3 374.338 1.875 20 5 FDBDHM O=[N+]([O-])c1cc(N2CCN(c3ccccn3)CC2)ccc1-c1nnn[n-]1 ZINC000823634891 606644467 /nfs/dbraw/zinc/64/44/67/606644467.db2.gz NRPCRNYFTYKAET-UHFFFAOYSA-N -1 3 352.358 1.497 20 5 FDBDHM O=[N+]([O-])c1cc(N2CCN(c3ccccn3)CC2)ccc1-c1nn[n-]n1 ZINC000823634891 606644468 /nfs/dbraw/zinc/64/44/68/606644468.db2.gz NRPCRNYFTYKAET-UHFFFAOYSA-N -1 3 352.358 1.497 20 5 FDBDHM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820733640 606803565 /nfs/dbraw/zinc/80/35/65/606803565.db2.gz HQFIXPYNGXLWJY-QMTHXVAHSA-N -1 3 371.401 1.834 20 5 FDBDHM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820733640 606803566 /nfs/dbraw/zinc/80/35/66/606803566.db2.gz HQFIXPYNGXLWJY-QMTHXVAHSA-N -1 3 371.401 1.834 20 5 FDBDHM Cc1cc([N+](=O)[O-])cn(CCCOc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000822212914 606984725 /nfs/dbraw/zinc/98/47/25/606984725.db2.gz MYFYHMCCPQIXTJ-UHFFFAOYSA-N -1 3 356.342 1.714 20 5 FDBDHM Nc1c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC000822903356 607003632 /nfs/dbraw/zinc/00/36/32/607003632.db2.gz JLSIQKNFWJALLM-UHFFFAOYSA-N -1 3 358.289 1.853 20 5 FDBDHM Nc1c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cccc1[N+](=O)[O-] ZINC000822903356 607003635 /nfs/dbraw/zinc/00/36/35/607003635.db2.gz JLSIQKNFWJALLM-UHFFFAOYSA-N -1 3 358.289 1.853 20 5 FDBDHM O=[N+]([O-])c1nn(Cc2cc(F)ccc2-c2nnn[n-]2)cc1Br ZINC000823651423 607040685 /nfs/dbraw/zinc/04/06/85/607040685.db2.gz JCEIDEMYVCEVKQ-UHFFFAOYSA-N -1 3 368.126 1.921 20 5 FDBDHM O=[N+]([O-])c1nn(Cc2cc(F)ccc2-c2nn[n-]n2)cc1Br ZINC000823651423 607040687 /nfs/dbraw/zinc/04/06/87/607040687.db2.gz JCEIDEMYVCEVKQ-UHFFFAOYSA-N -1 3 368.126 1.921 20 5 FDBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@]12CCCO2 ZINC000273598791 674552629 /nfs/dbraw/zinc/55/26/29/674552629.db2.gz LHRWKRKWRHWLHZ-RRFJBIMHSA-N -1 3 374.390 1.739 20 5 FDBDHM Cc1nc(N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)ccc1[N+](=O)[O-] ZINC000822449760 607165063 /nfs/dbraw/zinc/16/50/63/607165063.db2.gz NRELPSGSJACYAN-UHFFFAOYSA-N -1 3 358.387 1.685 20 5 FDBDHM Cc1nc(N2CCc3c(sc(N)c3-c3nn[n-]n3)C2)ccc1[N+](=O)[O-] ZINC000822449760 607165065 /nfs/dbraw/zinc/16/50/65/607165065.db2.gz NRELPSGSJACYAN-UHFFFAOYSA-N -1 3 358.387 1.685 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CC[C@H](OCc3ccccn3)C2)c(-c2nnn[n-]2)c1 ZINC000823639860 607226060 /nfs/dbraw/zinc/22/60/60/607226060.db2.gz JMCJXBIOMIJPPD-AWEZNQCLSA-N -1 3 367.369 1.965 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CC[C@H](OCc3ccccn3)C2)c(-c2nn[n-]n2)c1 ZINC000823639860 607226061 /nfs/dbraw/zinc/22/60/61/607226061.db2.gz JMCJXBIOMIJPPD-AWEZNQCLSA-N -1 3 367.369 1.965 20 5 FDBDHM CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1-c1nnn[n-]1 ZINC000825826047 607789231 /nfs/dbraw/zinc/78/92/31/607789231.db2.gz TXBRGDKSRPZAKM-UHFFFAOYSA-N -1 3 369.297 1.960 20 5 FDBDHM CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1-c1nn[n-]n1 ZINC000825826047 607789232 /nfs/dbraw/zinc/78/92/32/607789232.db2.gz TXBRGDKSRPZAKM-UHFFFAOYSA-N -1 3 369.297 1.960 20 5 FDBDHM Cc1ccc(OS(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826292794 607866826 /nfs/dbraw/zinc/86/68/26/607866826.db2.gz MEKCRDRNYZDJFZ-UHFFFAOYSA-N -1 3 361.339 1.851 20 5 FDBDHM NC(=O)[C@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826388702 607903196 /nfs/dbraw/zinc/90/31/96/607903196.db2.gz HHUNWSYXCUOCED-ZDUSSCGKSA-N -1 3 353.342 1.283 20 5 FDBDHM NC(=O)[C@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826388702 607903197 /nfs/dbraw/zinc/90/31/97/607903197.db2.gz HHUNWSYXCUOCED-ZDUSSCGKSA-N -1 3 353.342 1.283 20 5 FDBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000825332592 608166470 /nfs/dbraw/zinc/16/64/70/608166470.db2.gz JHPOQPAVCMENET-UHFFFAOYSA-N -1 3 357.334 1.572 20 5 FDBDHM O=[N+]([O-])c1ccc(N[C@@H](CO)Cc2ccc(F)cc2)c(-c2nnn[n-]2)c1 ZINC000826498854 608305562 /nfs/dbraw/zinc/30/55/62/608305562.db2.gz MLGVXNSBJWWDAC-GFCCVEGCSA-N -1 3 358.333 1.930 20 5 FDBDHM O=[N+]([O-])c1ccc(N[C@@H](CO)Cc2ccc(F)cc2)c(-c2nn[n-]n2)c1 ZINC000826498854 608305564 /nfs/dbraw/zinc/30/55/64/608305564.db2.gz MLGVXNSBJWWDAC-GFCCVEGCSA-N -1 3 358.333 1.930 20 5 FDBDHM Cn1ncc([N+](=O)[O-])c1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826366591 608330516 /nfs/dbraw/zinc/33/05/16/608330516.db2.gz PIKQVMFKUGLMLP-UHFFFAOYSA-N -1 3 368.357 1.313 20 5 FDBDHM Cn1ncc([N+](=O)[O-])c1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826366591 608330519 /nfs/dbraw/zinc/33/05/19/608330519.db2.gz PIKQVMFKUGLMLP-UHFFFAOYSA-N -1 3 368.357 1.313 20 5 FDBDHM O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826501617 608393185 /nfs/dbraw/zinc/39/31/85/608393185.db2.gz ZDMCJKPJMBCPSJ-UHFFFAOYSA-N -1 3 367.300 1.672 20 5 FDBDHM O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1cccc(-c2nn[n-]n2)c1F ZINC000826501617 608393187 /nfs/dbraw/zinc/39/31/87/608393187.db2.gz ZDMCJKPJMBCPSJ-UHFFFAOYSA-N -1 3 367.300 1.672 20 5 FDBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826439273 609209702 /nfs/dbraw/zinc/20/97/02/609209702.db2.gz MPMBSJHAXUMQJA-HNNXBMFYSA-N -1 3 368.353 1.167 20 5 FDBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826439273 609209703 /nfs/dbraw/zinc/20/97/03/609209703.db2.gz MPMBSJHAXUMQJA-HNNXBMFYSA-N -1 3 368.353 1.167 20 5 FDBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826440111 609257534 /nfs/dbraw/zinc/25/75/34/609257534.db2.gz ZBYNUULJTQNUAB-HNNXBMFYSA-N -1 3 368.353 1.167 20 5 FDBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826440111 609257535 /nfs/dbraw/zinc/25/75/35/609257535.db2.gz ZBYNUULJTQNUAB-HNNXBMFYSA-N -1 3 368.353 1.167 20 5 FDBDHM O=C(Nc1ccncc1-c1nnn[n-]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826459175 609317951 /nfs/dbraw/zinc/31/79/51/609317951.db2.gz YKCJDDXOIRVPBJ-UHFFFAOYSA-N -1 3 361.268 1.322 20 5 FDBDHM O=C(Nc1ccncc1-c1nn[n-]n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826459175 609317954 /nfs/dbraw/zinc/31/79/54/609317954.db2.gz YKCJDDXOIRVPBJ-UHFFFAOYSA-N -1 3 361.268 1.322 20 5 FDBDHM C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824505685 609355733 /nfs/dbraw/zinc/35/57/33/609355733.db2.gz HAWGMOQYKBULBD-SECBINFHSA-N -1 3 354.330 1.475 20 5 FDBDHM C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000824505685 609355736 /nfs/dbraw/zinc/35/57/36/609355736.db2.gz HAWGMOQYKBULBD-SECBINFHSA-N -1 3 354.330 1.475 20 5 FDBDHM O=[N+]([O-])c1ccccc1OC[C@@H](O)CSc1cc(-c2nnn[n-]2)ccn1 ZINC000826500784 609491313 /nfs/dbraw/zinc/49/13/13/609491313.db2.gz MBQPPPMKPFPQRL-LLVKDONJSA-N -1 3 374.382 1.702 20 5 FDBDHM O=[N+]([O-])c1ccccc1OC[C@@H](O)CSc1cc(-c2nn[n-]n2)ccn1 ZINC000826500784 609491317 /nfs/dbraw/zinc/49/13/17/609491317.db2.gz MBQPPPMKPFPQRL-LLVKDONJSA-N -1 3 374.382 1.702 20 5 FDBDHM Cc1nn(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1[N+](=O)[O-] ZINC000826334740 609499689 /nfs/dbraw/zinc/49/96/89/609499689.db2.gz HVDFABSNQAGTSU-UHFFFAOYSA-N -1 3 353.302 1.378 20 5 FDBDHM Cc1nn(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1[N+](=O)[O-] ZINC000826334740 609499691 /nfs/dbraw/zinc/49/96/91/609499691.db2.gz HVDFABSNQAGTSU-UHFFFAOYSA-N -1 3 353.302 1.378 20 5 FDBDHM C[C@H](C[S@](C)=O)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824449261 609598324 /nfs/dbraw/zinc/59/83/24/609598324.db2.gz 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O=[N+]([O-])c1cnc(NCCNc2ccc(-c3nnn[n-]3)cn2)c(Cl)c1 ZINC000738375344 599404777 /nfs/dbraw/zinc/40/47/77/599404777.db2.gz YUSYSPVYVBQASY-UHFFFAOYSA-N -1 3 361.753 1.742 20 5 FDBDHM O=[N+]([O-])c1cnc(NCCNc2ccc(-c3nn[n-]n3)cn2)c(Cl)c1 ZINC000738375344 599404779 /nfs/dbraw/zinc/40/47/79/599404779.db2.gz YUSYSPVYVBQASY-UHFFFAOYSA-N -1 3 361.753 1.742 20 5 FDBDHM Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826252346 607399966 /nfs/dbraw/zinc/39/99/66/607399966.db2.gz ZVDTYCBGPNKQAX-UHFFFAOYSA-N -1 3 357.330 1.445 20 5 FDBDHM Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826252346 607399968 /nfs/dbraw/zinc/39/99/68/607399968.db2.gz ZVDTYCBGPNKQAX-UHFFFAOYSA-N -1 3 357.330 1.445 20 5 FDBDHM CN(C(=O)[O-])[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000739585832 601971830 /nfs/dbraw/zinc/97/18/30/601971830.db2.gz QGKZMWPTZVNZID-GFCCVEGCSA-N -1 3 350.375 1.998 20 5 FDBDHM O=[N+]([O-])c1cnc(NC[C@]2(O)CCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000826500537 607739453 /nfs/dbraw/zinc/73/94/53/607739453.db2.gz BIPVEUOMODFPTR-MRXNPFEDSA-N -1 3 353.342 1.416 20 5 FDBDHM O=[N+]([O-])c1cnc(NC[C@]2(O)CCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000826500537 607739454 /nfs/dbraw/zinc/73/94/54/607739454.db2.gz BIPVEUOMODFPTR-MRXNPFEDSA-N -1 3 353.342 1.416 20 5 FDBDHM O=C([O-])N1CCC[C@@H]1[C@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000834108404 605650486 /nfs/dbraw/zinc/65/04/86/605650486.db2.gz PTVGKVPKPHCLET-HUUCEWRRSA-N -1 3 364.402 1.753 20 5 FDBDHM Cc1cnc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000822399789 606020153 /nfs/dbraw/zinc/02/01/53/606020153.db2.gz NBPZEGHNVNBZDY-UHFFFAOYSA-N -1 3 355.314 1.496 20 5 FDBDHM Cc1cnc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000822399789 606020159 /nfs/dbraw/zinc/02/01/59/606020159.db2.gz NBPZEGHNVNBZDY-UHFFFAOYSA-N -1 3 355.314 1.496 20 5 FDBDHM O=c1[nH]c2ccccc2n1CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000823657033 606429600 /nfs/dbraw/zinc/42/96/00/606429600.db2.gz MGIIPOKOZSPPMX-UHFFFAOYSA-N -1 3 366.341 1.942 20 5 FDBDHM O=c1[nH]c2ccccc2n1CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000823657033 606429601 /nfs/dbraw/zinc/42/96/01/606429601.db2.gz MGIIPOKOZSPPMX-UHFFFAOYSA-N -1 3 366.341 1.942 20 5 FDBDHM Cc1ccc([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1[N+](=O)[O-] ZINC000822228714 606448347 /nfs/dbraw/zinc/44/83/47/606448347.db2.gz DAMNFBCVNRBDTP-JTQLQIEISA-N -1 3 355.358 1.913 20 5 FDBDHM Cc1ccc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1[N+](=O)[O-] ZINC000822228714 606448349 /nfs/dbraw/zinc/44/83/49/606448349.db2.gz DAMNFBCVNRBDTP-JTQLQIEISA-N -1 3 355.358 1.913 20 5 FDBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000821610035 606523646 /nfs/dbraw/zinc/52/36/46/606523646.db2.gz XOHDKWZAWYIEBF-UHFFFAOYSA-N -1 3 353.342 1.629 20 5 FDBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000821610035 606523647 /nfs/dbraw/zinc/52/36/47/606523647.db2.gz XOHDKWZAWYIEBF-UHFFFAOYSA-N -1 3 353.342 1.629 20 5 FDBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cnn(Cc2ccccn2)c1 ZINC000823629965 606706416 /nfs/dbraw/zinc/70/64/16/606706416.db2.gz OIWUUVVWLQSBIQ-UHFFFAOYSA-N -1 3 364.329 1.553 20 5 FDBDHM CCc1nc2n(n1)CCC[C@H]2Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821509659 606729329 /nfs/dbraw/zinc/72/93/29/606729329.db2.gz KPNNXOXLLFSIEF-LLVKDONJSA-N -1 3 355.362 1.876 20 5 FDBDHM CCc1nc2n(n1)CCC[C@H]2Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821509659 606729330 /nfs/dbraw/zinc/72/93/30/606729330.db2.gz KPNNXOXLLFSIEF-LLVKDONJSA-N -1 3 355.362 1.876 20 5 FDBDHM CC1(C2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)OCCO1 ZINC000820612842 606761388 /nfs/dbraw/zinc/76/13/88/606761388.db2.gz LEQZFXOISDBFCI-UHFFFAOYSA-N -1 3 360.374 1.754 20 5 FDBDHM CC1(C2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)OCCO1 ZINC000820612842 606761390 /nfs/dbraw/zinc/76/13/90/606761390.db2.gz LEQZFXOISDBFCI-UHFFFAOYSA-N -1 3 360.374 1.754 20 5 FDBDHM O=c1c(Cl)cc([N+](=O)[O-])cn1C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823658058 606862788 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CN(C[C@H]1CCC[C@H]1O)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825907652 607851894 /nfs/dbraw/zinc/85/18/94/607851894.db2.gz AKWQHGCULNEXQU-MEBBXXQBSA-N -1 3 369.385 1.920 20 5 FDBDHM O=[N+]([O-])c1cnn(C[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826500984 607873062 /nfs/dbraw/zinc/87/30/62/607873062.db2.gz UNBAIDAHTDGPIT-SNVBAGLBSA-N -1 3 365.737 1.065 20 5 FDBDHM O=[N+]([O-])c1cnn(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826500984 607873063 /nfs/dbraw/zinc/87/30/63/607873063.db2.gz UNBAIDAHTDGPIT-SNVBAGLBSA-N -1 3 365.737 1.065 20 5 FDBDHM O=[N+]([O-])c1ncccc1N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826501002 608052837 /nfs/dbraw/zinc/05/28/37/608052837.db2.gz VEMRKVIHOZEPOQ-CQSZACIVSA-N -1 3 353.342 1.748 20 5 FDBDHM O=[N+]([O-])c1ncccc1N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826501002 608052838 /nfs/dbraw/zinc/05/28/38/608052838.db2.gz VEMRKVIHOZEPOQ-CQSZACIVSA-N -1 3 353.342 1.748 20 5 FDBDHM C[C@@](CO)(Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 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538842112 /nfs/dbraw/zinc/84/21/12/538842112.db2.gz NSJVIGBSKZNEPE-UHFFFAOYSA-N -1 3 362.349 1.010 20 5 FDBDHM NC(=O)c1n[n-]nc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000485491938 538842116 /nfs/dbraw/zinc/84/21/16/538842116.db2.gz NSJVIGBSKZNEPE-UHFFFAOYSA-N -1 3 362.349 1.010 20 5 FDBDHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)O1 ZINC000494283603 538866702 /nfs/dbraw/zinc/86/67/02/538866702.db2.gz XKXYFFZTJHMPGT-SNVBAGLBSA-N -1 3 372.399 1.602 20 5 FDBDHM CS(=O)(=O)c1cc(C(=O)[N-]c2nncn2C2CC2)cc([N+](=O)[O-])c1 ZINC000560753083 545593856 /nfs/dbraw/zinc/59/38/56/545593856.db2.gz NREPACLCDNXDPE-UHFFFAOYSA-N -1 3 351.344 1.177 20 5 FDBDHM CC(=O)Nc1ncc(S(=O)(=O)[N-]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000561480215 545869284 /nfs/dbraw/zinc/86/92/84/545869284.db2.gz WDIAPWDIJYLXRQ-UHFFFAOYSA-N -1 3 370.412 1.531 20 5 FDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000562516528 546164517 /nfs/dbraw/zinc/16/45/17/546164517.db2.gz FCNWMZUZPKXHEI-LBPRGKRZSA-N 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CO[C@@H](C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000594805379 552391719 /nfs/dbraw/zinc/39/17/19/552391719.db2.gz WQUJAKRHPBWHMC-OCCSQVGLSA-N -1 3 358.416 1.541 20 5 FDBDHM CO[C@@H]1CCC[C@H]([C@@H](CO)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000594808044 552392931 /nfs/dbraw/zinc/39/29/31/552392931.db2.gz JMECXQFMVCTARN-YNEHKIRRSA-N -1 3 358.416 1.439 20 5 FDBDHM COC(=O)[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[C@@H](C)CC1 ZINC000594832549 552401634 /nfs/dbraw/zinc/40/16/34/552401634.db2.gz QSLCGQOIVJFHCX-YPFXGUDJSA-N -1 3 357.388 1.390 20 5 FDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCO[C@H]2CC2(F)F)c1C ZINC000594838310 552403156 /nfs/dbraw/zinc/40/31/56/552403156.db2.gz CFIGARUTKPJRMI-NSHDSACASA-N -1 3 350.343 1.914 20 5 FDBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)S(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000594847329 552407207 /nfs/dbraw/zinc/40/72/07/552407207.db2.gz DDLAFGXSWOEGAG-IONNQARKSA-N -1 3 368.458 1.209 20 5 FDBDHM Cn1cc(C[C@H]2CCC[C@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cn1 ZINC000594858825 552411579 /nfs/dbraw/zinc/41/15/79/552411579.db2.gz YEORURSWAXXGIF-TZMCWYRMSA-N -1 3 365.415 1.413 20 5 FDBDHM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000594864584 552413849 /nfs/dbraw/zinc/41/38/49/552413849.db2.gz GZCMXYADGFNYIG-CQSZACIVSA-N -1 3 362.379 1.781 20 5 FDBDHM Cc1cncc(CC[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n1 ZINC000594872302 552417029 /nfs/dbraw/zinc/41/70/29/552417029.db2.gz YSMSZCUICLKYRK-UHFFFAOYSA-N -1 3 350.400 1.831 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(CO)CC2)c(Br)c1 ZINC000595318481 552523046 /nfs/dbraw/zinc/52/30/46/552523046.db2.gz LQJAXILXNIIQAU-UHFFFAOYSA-N -1 3 351.178 1.161 20 5 FDBDHM CCSC1(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000595348230 552532910 /nfs/dbraw/zinc/53/29/10/552532910.db2.gz FBNIDOUJZRTBOH-UHFFFAOYSA-N -1 3 374.440 1.930 20 5 FDBDHM CCCN1CC[C@H]([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000595355904 552535136 /nfs/dbraw/zinc/53/51/36/552535136.db2.gz SSCVRXXNCIJTJV-LBPRGKRZSA-N -1 3 364.427 1.906 20 5 FDBDHM Cc1cc(=O)[n-]c(C(C)(C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)n1 ZINC000595525398 552578736 /nfs/dbraw/zinc/57/87/36/552578736.db2.gz FCWOGEUXXQUWQR-UHFFFAOYSA-N -1 3 371.397 1.813 20 5 FDBDHM CC[C@H](C)CCNC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595727032 552607472 /nfs/dbraw/zinc/60/74/72/552607472.db2.gz VJEHQWSKQJKHKP-LBPRGKRZSA-N -1 3 372.447 1.609 20 5 FDBDHM O=C1[N-]C(=O)N2CCN(c3c(Br)cccc3[N+](=O)[O-])C[C@H]12 ZINC000596188563 552662898 /nfs/dbraw/zinc/66/28/98/552662898.db2.gz YENGHOKXMQLGGI-SECBINFHSA-N -1 3 355.148 1.098 20 5 FDBDHM CC12CC(C1)CN2C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000596312465 552673584 /nfs/dbraw/zinc/67/35/84/552673584.db2.gz MTBFFYWLUNQXET-UHFFFAOYSA-N -1 3 368.415 1.067 20 5 FDBDHM O=C(NCCCc1cc(=O)[nH][n-]1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000597664841 552819313 /nfs/dbraw/zinc/81/93/13/552819313.db2.gz MVEWZKXCHVDFMK-UHFFFAOYSA-N -1 3 356.342 1.166 20 5 FDBDHM O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000597992320 552853755 /nfs/dbraw/zinc/85/37/55/552853755.db2.gz UREIJPPCKFJWAK-INIZCTEOSA-N -1 3 371.393 1.797 20 5 FDBDHM O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000597992250 552853890 /nfs/dbraw/zinc/85/38/90/552853890.db2.gz UCEIVHXYSFRDRA-KRWDZBQOSA-N -1 3 371.393 1.797 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCN2C2CCCCC2)nc1 ZINC000599391126 553043693 /nfs/dbraw/zinc/04/36/93/553043693.db2.gz MVJYHKWTYKCFOE-CYBMUJFWSA-N -1 3 354.432 1.675 20 5 FDBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](CO)CCC(C)C)cc1[N+](=O)[O-] ZINC000599410726 553050308 /nfs/dbraw/zinc/05/03/08/553050308.db2.gz PDVYCJHUPQIGTE-JTQLQIEISA-N -1 3 364.395 1.818 20 5 FDBDHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000599447263 553059693 /nfs/dbraw/zinc/05/96/93/553059693.db2.gz AGTSZBCOWROOHS-ZDUSSCGKSA-N -1 3 371.415 1.638 20 5 FDBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@H]1CO[C@@H](C2CC2)C1 ZINC000599481692 553069549 /nfs/dbraw/zinc/06/95/49/553069549.db2.gz HPKRCXCVAHCZCU-BXUZGUMPSA-N -1 3 363.395 1.989 20 5 FDBDHM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000599941116 553180532 /nfs/dbraw/zinc/18/05/32/553180532.db2.gz USJSMZZNWAETDH-WDEREUQCSA-N -1 3 355.778 1.235 20 5 FDBDHM CCC[C@@H](CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])OCC ZINC000600174649 553227398 /nfs/dbraw/zinc/22/73/98/553227398.db2.gz LWIYGLVARRNPJZ-LBPRGKRZSA-N -1 3 373.431 1.195 20 5 FDBDHM COC(=O)COc1ccc(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000600799147 553315927 /nfs/dbraw/zinc/31/59/27/553315927.db2.gz DLADAFHHOVEQSO-DGCLKSJQSA-N -1 3 366.370 1.689 20 5 FDBDHM CN(CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccccc1[N+](=O)[O-] ZINC000600876185 553323676 /nfs/dbraw/zinc/32/36/76/553323676.db2.gz TWRYNNPDZVZRKE-UHFFFAOYSA-N -1 3 364.402 1.038 20 5 FDBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000603478383 553793274 /nfs/dbraw/zinc/79/32/74/553793274.db2.gz UVNYQLZICQAWJP-UHFFFAOYSA-N -1 3 367.358 1.959 20 5 FDBDHM Cc1ccc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c([O-])c1 ZINC000603503444 553796186 /nfs/dbraw/zinc/79/61/86/553796186.db2.gz BCEZXXUPOYWUDP-UHFFFAOYSA-N -1 3 355.306 1.844 20 5 FDBDHM O=c1[n-]c(Cn2cccc([N+](=O)[O-])c2=O)nc2c1cnn2-c1ccccc1 ZINC000608801551 554321052 /nfs/dbraw/zinc/32/10/52/554321052.db2.gz ZDCRAHHRPPGWAW-UHFFFAOYSA-N -1 3 364.321 1.639 20 5 FDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC(=O)N(C(C)C)C2)cc1C ZINC000610005320 554447862 /nfs/dbraw/zinc/44/78/62/554447862.db2.gz QFVAMUBYBXCAJT-LBPRGKRZSA-N -1 3 355.416 1.499 20 5 FDBDHM COc1cc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1O ZINC000611018974 554594898 /nfs/dbraw/zinc/59/48/98/554594898.db2.gz GOJWJQFCLJSWJS-UHFFFAOYSA-N -1 3 352.368 1.830 20 5 FDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](CO)c1c(F)cccc1F ZINC000611021638 554595512 /nfs/dbraw/zinc/59/55/12/554595512.db2.gz IANWKQOIQDNNIW-NSHDSACASA-N -1 3 358.322 1.885 20 5 FDBDHM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCCN(CC(C)C)C2)c([N+](=O)[O-])n1 ZINC000611107707 554606306 /nfs/dbraw/zinc/60/63/06/554606306.db2.gz GDXFUBQHISNFIV-ZDUSSCGKSA-N -1 3 373.479 1.458 20 5 FDBDHM COCCN1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000613475725 554929356 /nfs/dbraw/zinc/92/93/56/554929356.db2.gz ZLEUXKKLMSMDQR-LLVKDONJSA-N -1 3 363.461 1.354 20 5 FDBDHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000618712523 555669634 /nfs/dbraw/zinc/66/96/34/555669634.db2.gz PFXKDRDGHXBDJS-JTQLQIEISA-N -1 3 374.275 1.218 20 5 FDBDHM CCC[C@](C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(=O)OC ZINC000619475297 555783251 /nfs/dbraw/zinc/78/32/51/555783251.db2.gz IZPYDIGCPHVDDQ-AWEZNQCLSA-N -1 3 360.388 1.614 20 5 FDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C(N)=O)c1ccccc1 ZINC000619474708 555783377 /nfs/dbraw/zinc/78/33/77/555783377.db2.gz UJBLMHVLGSQELX-ZDUSSCGKSA-N -1 3 365.367 1.108 20 5 FDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C)COCC(F)(F)F ZINC000619479282 555784158 /nfs/dbraw/zinc/78/41/58/555784158.db2.gz NLLDFWVRRDPEQV-MRVPVSSYSA-N -1 3 372.321 1.849 20 5 FDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](CCO)c1ccco1 ZINC000619497206 555789614 /nfs/dbraw/zinc/78/96/14/555789614.db2.gz RYSJJXWNZZMNLS-JTQLQIEISA-N -1 3 356.356 1.598 20 5 FDBDHM CNS(=O)(=O)c1ccc([N-]c2cc(C3CC3)n(C)n2)c([N+](=O)[O-])c1 ZINC000291240706 568086824 /nfs/dbraw/zinc/08/68/24/568086824.db2.gz XLWITFHPTPVKNS-UHFFFAOYSA-N -1 3 351.388 1.857 20 5 FDBDHM CN(C)C(=O)[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736746227 598945503 /nfs/dbraw/zinc/94/55/03/598945503.db2.gz LMGAGRMWUGYGAO-RYUDHWBXSA-N -1 3 359.390 1.834 20 5 FDBDHM CN(C)C(=O)[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736746227 598945504 /nfs/dbraw/zinc/94/55/04/598945504.db2.gz LMGAGRMWUGYGAO-RYUDHWBXSA-N -1 3 359.390 1.834 20 5 FDBDHM CC(C)N1C(=O)CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1(C)C ZINC000820127033 599082340 /nfs/dbraw/zinc/08/23/40/599082340.db2.gz HKXCLEBWWCWFPN-UHFFFAOYSA-N -1 3 360.378 1.006 20 5 FDBDHM CC(C)N1C(=O)CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1(C)C ZINC000820127033 599082342 /nfs/dbraw/zinc/08/23/42/599082342.db2.gz HKXCLEBWWCWFPN-UHFFFAOYSA-N -1 3 360.378 1.006 20 5 FDBDHM NC(=O)[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000737734754 599091638 /nfs/dbraw/zinc/09/16/38/599091638.db2.gz AUELKFHKUIGNHS-CQSZACIVSA-N -1 3 353.342 1.091 20 5 FDBDHM NC(=O)[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000737734754 599091640 /nfs/dbraw/zinc/09/16/40/599091640.db2.gz AUELKFHKUIGNHS-CQSZACIVSA-N -1 3 353.342 1.091 20 5 FDBDHM O=C(Cc1ccccc1[N+](=O)[O-])NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823115152 599164360 /nfs/dbraw/zinc/16/43/60/599164360.db2.gz LOYGXPDFYKXVHD-UHFFFAOYSA-N -1 3 356.317 1.773 20 5 FDBDHM O=C(Cc1ccccc1[N+](=O)[O-])NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823115152 599164361 /nfs/dbraw/zinc/16/43/61/599164361.db2.gz LOYGXPDFYKXVHD-UHFFFAOYSA-N -1 3 356.317 1.773 20 5 FDBDHM O=C(COc1cccc([N+](=O)[O-])c1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823044740 599184326 /nfs/dbraw/zinc/18/43/26/599184326.db2.gz ZVIIOMCYLKTNTA-UHFFFAOYSA-N -1 3 372.316 1.609 20 5 FDBDHM O=C(COc1cccc([N+](=O)[O-])c1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823044740 599184327 /nfs/dbraw/zinc/18/43/27/599184327.db2.gz ZVIIOMCYLKTNTA-UHFFFAOYSA-N -1 3 372.316 1.609 20 5 FDBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737372748 599215948 /nfs/dbraw/zinc/21/59/48/599215948.db2.gz JCGLHZSXGPGLHC-UHFFFAOYSA-N -1 3 368.353 1.892 20 5 FDBDHM Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccncc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737219038 599252722 /nfs/dbraw/zinc/25/27/22/599252722.db2.gz OYPLWMQJYZGLLE-UHFFFAOYSA-N -1 3 370.285 1.061 20 5 FDBDHM Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccncc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737219038 599252723 /nfs/dbraw/zinc/25/27/23/599252723.db2.gz OYPLWMQJYZGLLE-UHFFFAOYSA-N -1 3 370.285 1.061 20 5 FDBDHM Cc1c(NC(=O)NCCn2cc([N+](=O)[O-])cn2)cccc1-c1nnn[n-]1 ZINC000822105762 607291916 /nfs/dbraw/zinc/29/19/16/607291916.db2.gz XBZBNKRZMIALHJ-UHFFFAOYSA-N -1 3 357.334 1.102 20 5 FDBDHM Cc1c(NC(=O)NCCn2cc([N+](=O)[O-])cn2)cccc1-c1nn[n-]n1 ZINC000822105762 607291917 /nfs/dbraw/zinc/29/19/17/607291917.db2.gz XBZBNKRZMIALHJ-UHFFFAOYSA-N -1 3 357.334 1.102 20 5 FDBDHM CCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736413627 598247706 /nfs/dbraw/zinc/24/77/06/598247706.db2.gz TWNUKJJFZCDMBY-GFCCVEGCSA-N -1 3 359.390 1.660 20 5 FDBDHM CCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736413627 598247707 /nfs/dbraw/zinc/24/77/07/598247707.db2.gz TWNUKJJFZCDMBY-GFCCVEGCSA-N -1 3 359.390 1.660 20 5 FDBDHM COc1cc2c(nn1)CCN(c1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])C2 ZINC000737055035 598333151 /nfs/dbraw/zinc/33/31/51/598333151.db2.gz FTDYWNDACQWYNL-UHFFFAOYSA-N -1 3 354.330 1.136 20 5 FDBDHM COc1cc2c(nn1)CCN(c1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])C2 ZINC000737055035 598333153 /nfs/dbraw/zinc/33/31/53/598333153.db2.gz FTDYWNDACQWYNL-UHFFFAOYSA-N -1 3 354.330 1.136 20 5 FDBDHM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738078620 598356881 /nfs/dbraw/zinc/35/68/81/598356881.db2.gz TVIMSIJJOZPNJB-UHFFFAOYSA-N -1 3 353.342 1.617 20 5 FDBDHM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738078620 598356883 /nfs/dbraw/zinc/35/68/83/598356883.db2.gz TVIMSIJJOZPNJB-UHFFFAOYSA-N -1 3 353.342 1.617 20 5 FDBDHM COc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1[N+](=O)[O-] ZINC000737092495 598447474 /nfs/dbraw/zinc/44/74/74/598447474.db2.gz LXLWRVPQCHLUBP-UHFFFAOYSA-N -1 3 355.314 1.109 20 5 FDBDHM COc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1[N+](=O)[O-] ZINC000737092495 598447475 /nfs/dbraw/zinc/44/74/75/598447475.db2.gz LXLWRVPQCHLUBP-UHFFFAOYSA-N -1 3 355.314 1.109 20 5 FDBDHM CC(C)c1nc2c(n1C)CCN(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC000735944227 598501689 /nfs/dbraw/zinc/50/16/89/598501689.db2.gz ZHXVKJMCARGTEF-UHFFFAOYSA-N -1 3 369.389 1.590 20 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Cc1c(F)cc(S(=O)(=O)[N-]C[C@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000274893320 181187872 /nfs/dbraw/zinc/18/78/72/181187872.db2.gz RVYZNDKFYBGXFO-GFCCVEGCSA-N -1 3 350.393 1.189 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)COc2ccccc2)c(F)c1 ZINC000533095904 540201662 /nfs/dbraw/zinc/20/16/62/540201662.db2.gz SFGWHICDNVJEQV-GFCCVEGCSA-N -1 3 370.358 1.452 20 5 FDBDHM COc1ccc(S(=O)(=O)[N-]Cc2cccc(N(C)C)n2)c([N+](=O)[O-])c1 ZINC000533170022 540209986 /nfs/dbraw/zinc/20/99/86/540209986.db2.gz PTNXWKVMKYMUSC-UHFFFAOYSA-N -1 3 366.399 1.543 20 5 FDBDHM CS[C@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000275106416 181240438 /nfs/dbraw/zinc/24/04/38/181240438.db2.gz KRXKZTVYHFYRJD-GJZGRUSLSA-N -1 3 351.428 1.952 20 5 FDBDHM C[C@@H]1CN(CCCCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000275175549 181255093 /nfs/dbraw/zinc/25/50/93/181255093.db2.gz XBORCKSWFJXURY-VXGBXAGGSA-N -1 3 352.391 1.315 20 5 FDBDHM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000534172899 540331846 /nfs/dbraw/zinc/33/18/46/540331846.db2.gz GYFIRQWVGZSLCG-MRVPVSSYSA-N -1 3 352.315 1.378 20 5 FDBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000535903130 540527016 /nfs/dbraw/zinc/52/70/16/540527016.db2.gz LUBFSWZWXZWVNP-LBPRGKRZSA-N -1 3 354.384 1.626 20 5 FDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000537714118 540763300 /nfs/dbraw/zinc/76/33/00/540763300.db2.gz RUVDZPHINQAVBX-HNNXBMFYSA-N -1 3 368.349 1.527 20 5 FDBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](CCO)c2ccco2)cc1[N+](=O)[O-] ZINC000275432176 181316677 /nfs/dbraw/zinc/31/66/77/181316677.db2.gz RIOREDZUYCUEFG-NSHDSACASA-N -1 3 374.346 1.738 20 5 FDBDHM COc1ccc(S(=O)(=O)[N-]CCCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000539372222 540952551 /nfs/dbraw/zinc/95/25/51/540952551.db2.gz YNBLDKFGGNYSRY-UHFFFAOYSA-N -1 3 354.388 1.559 20 5 FDBDHM CN(C)c1nccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000539386069 540954079 /nfs/dbraw/zinc/95/40/79/540954079.db2.gz 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CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@@H](O)C(F)F ZINC000295733557 184099572 /nfs/dbraw/zinc/09/95/72/184099572.db2.gz MXDOVBAZWBHHII-GZMMTYOYSA-N -1 3 354.331 1.286 20 5 FDBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[C@@H](C)CCO ZINC000296067573 184127092 /nfs/dbraw/zinc/12/70/92/184127092.db2.gz DEMNVCANJHCXKC-SNVBAGLBSA-N -1 3 360.388 1.068 20 5 FDBDHM C[C@H]([N-]C(=O)C(F)(F)C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296160262 184136452 /nfs/dbraw/zinc/13/64/52/184136452.db2.gz FEQKPDPWAMIJHC-JTQLQIEISA-N -1 3 357.313 1.266 20 5 FDBDHM COc1cc(=NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)[n-]n1C ZINC000548470755 542678006 /nfs/dbraw/zinc/67/80/06/542678006.db2.gz KFWQVLLKOOQEFA-UHFFFAOYSA-N -1 3 357.326 1.903 20 5 FDBDHM O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000550100271 543006488 /nfs/dbraw/zinc/00/64/88/543006488.db2.gz RAELPWIPXDGWQX-UHFFFAOYSA-N -1 3 358.314 1.580 20 5 FDBDHM CCOC(=O)c1cc(C(=O)Nc2nc[n-]c2C(=O)OC)cc([N+](=O)[O-])c1 ZINC000550104765 543007824 /nfs/dbraw/zinc/00/78/24/543007824.db2.gz OKMGMJISHPFOLG-UHFFFAOYSA-N -1 3 362.298 1.534 20 5 FDBDHM CCOC(=O)c1cc(C(=O)Nc2[n-]cnc2C(=O)OC)cc([N+](=O)[O-])c1 ZINC000550104765 543007827 /nfs/dbraw/zinc/00/78/27/543007827.db2.gz OKMGMJISHPFOLG-UHFFFAOYSA-N -1 3 362.298 1.534 20 5 FDBDHM O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000552227992 543440740 /nfs/dbraw/zinc/44/07/40/543440740.db2.gz SYWQFBNYZPSCJM-LJQANCHMSA-N -1 3 371.393 1.667 20 5 FDBDHM C[N-]S(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccc1F ZINC000552260190 543444274 /nfs/dbraw/zinc/44/42/74/543444274.db2.gz PJFUGVDEFGDCEZ-UHFFFAOYSA-N -1 3 354.319 1.289 20 5 FDBDHM O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N=c1cc2ccccn2[n-]1 ZINC000552995574 543549577 /nfs/dbraw/zinc/54/95/77/543549577.db2.gz JYHZOGMWUVJNOX-UHFFFAOYSA-N -1 3 373.756 2.264 20 5 FDBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000083995321 172208789 /nfs/dbraw/zinc/20/87/89/172208789.db2.gz UHGAGLFFHTYGDA-SECBINFHSA-N -1 3 361.807 1.456 20 5 FDBDHM Cc1ccc([O-])c(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000093608048 172319345 /nfs/dbraw/zinc/31/93/45/172319345.db2.gz VSNKMTHTOJCEGO-UHFFFAOYSA-N -1 3 356.382 1.962 20 5 FDBDHM C[C@H](O)CC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000154284695 173494956 /nfs/dbraw/zinc/49/49/56/173494956.db2.gz YJNCGZHJFUSQMN-ZETCQYMHSA-N -1 3 353.194 1.407 20 5 FDBDHM O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1[C@@H]2CCC[C@H]12 ZINC000178247966 174179636 /nfs/dbraw/zinc/17/96/36/174179636.db2.gz NZMVQNZSWDTICY-BVUQATHDSA-N -1 3 353.400 1.035 20 5 FDBDHM O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N=c1cc2ccccn2[n-]1 ZINC000553329859 543610737 /nfs/dbraw/zinc/61/07/37/543610737.db2.gz QNJFSUAXZFKWKI-UHFFFAOYSA-N -1 3 367.321 1.607 20 5 FDBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC1(F)CCC1 ZINC000557849473 544354144 /nfs/dbraw/zinc/35/41/44/544354144.db2.gz IZPGBWRIVYVRNN-UHFFFAOYSA-N -1 3 360.363 1.942 20 5 FDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ncnn2C(C)C)c1C ZINC000558592092 544477107 /nfs/dbraw/zinc/47/71/07/544477107.db2.gz BIDKGNAJPIGTPW-UHFFFAOYSA-N -1 3 353.404 1.863 20 5 FDBDHM CCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000293129962 258860005 /nfs/dbraw/zinc/86/00/05/258860005.db2.gz YYKSJJHACSIMEG-LBPRGKRZSA-N -1 3 357.432 1.734 20 5 FDBDHM CC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000299542405 259005140 /nfs/dbraw/zinc/00/51/40/259005140.db2.gz OUKSERLEHQAWIH-UHFFFAOYSA-N -1 3 363.823 1.689 20 5 FDBDHM C[C@@H]1CN(C(=O)Cn2cc([N-]c3ncccc3[N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000301420805 259027710 /nfs/dbraw/zinc/02/77/10/259027710.db2.gz NLLQVWNPKKQPMK-VXGBXAGGSA-N -1 3 360.374 1.566 20 5 FDBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C(C)C)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000330436697 259144493 /nfs/dbraw/zinc/14/44/93/259144493.db2.gz YTVWENSKWAHPAN-OAHLLOKOSA-N -1 3 371.459 1.538 20 5 FDBDHM CC(=O)N1CCC([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000331091560 259175839 /nfs/dbraw/zinc/17/58/39/259175839.db2.gz WPVBKGGWLDOXIS-UHFFFAOYSA-N -1 3 355.416 1.501 20 5 FDBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000331420484 259194160 /nfs/dbraw/zinc/19/41/60/259194160.db2.gz ATSHDVMDZMCFIL-QJPTWQEYSA-N -1 3 353.400 1.191 20 5 FDBDHM Cc1c(F)cc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000331499211 259200272 /nfs/dbraw/zinc/20/02/72/259200272.db2.gz LJGZEYYEGZTINP-ZDSQKVDBSA-N -1 3 371.390 1.330 20 5 FDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1C ZINC000331562429 259204343 /nfs/dbraw/zinc/20/43/43/259204343.db2.gz TWRZQELCNFERDL-QKCSRTOESA-N -1 3 367.427 1.499 20 5 FDBDHM CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1(C)C ZINC000332446328 259267249 /nfs/dbraw/zinc/26/72/49/259267249.db2.gz DVFWHACFXBINPJ-ZBFHGGJFSA-N -1 3 372.443 1.748 20 5 FDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1N1CCOCC1 ZINC000368994726 260273900 /nfs/dbraw/zinc/27/39/00/260273900.db2.gz CITTUFGJQUHQFN-UONOGXRCSA-N -1 3 369.443 1.374 20 5 FDBDHM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCN1C1CCN(C)CC1 ZINC000374788682 261196525 /nfs/dbraw/zinc/19/65/25/261196525.db2.gz QJNDDYGRZFJJGH-CYBMUJFWSA-N -1 3 362.430 1.541 20 5 FDBDHM Cc1cc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375089012 261266390 /nfs/dbraw/zinc/26/63/90/261266390.db2.gz FBJLHZLDCVTHFX-UHFFFAOYSA-N -1 3 374.401 1.085 20 5 FDBDHM O=C1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C2CC2)N1 ZINC000375182282 261283088 /nfs/dbraw/zinc/28/30/88/261283088.db2.gz QZEDPJKWSBFSKF-RISCZKNCSA-N -1 3 373.818 1.584 20 5 FDBDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n[nH]1 ZINC000270608288 674236768 /nfs/dbraw/zinc/23/67/68/674236768.db2.gz XLNFHNREDUJZNY-SNVBAGLBSA-N -1 3 353.404 1.932 20 5 FDBDHM CC[C@@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000270815884 674271380 /nfs/dbraw/zinc/27/13/80/674271380.db2.gz 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KVSJKSWQPFNVHO-JTQLQIEISA-N -1 3 374.430 1.388 20 5 FDBDHM CCc1nccn1[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821517765 606707928 /nfs/dbraw/zinc/70/79/28/606707928.db2.gz OEWAQCPKDHGXGH-NSHDSACASA-N -1 3 369.389 1.770 20 5 FDBDHM CCc1nccn1[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821517765 606707930 /nfs/dbraw/zinc/70/79/30/606707930.db2.gz OEWAQCPKDHGXGH-NSHDSACASA-N -1 3 369.389 1.770 20 5 FDBDHM C[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000820727454 606719408 /nfs/dbraw/zinc/71/94/08/606719408.db2.gz MBFSJOQSMMTTDW-PWSUYJOCSA-N -1 3 355.362 1.454 20 5 FDBDHM Cc1cc(=O)n(CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822159835 606777093 /nfs/dbraw/zinc/77/70/93/606777093.db2.gz DUJWZKKPSLVJGG-UHFFFAOYSA-N -1 3 369.341 1.274 20 5 FDBDHM Cc1cc(=O)n(CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822159835 606777094 /nfs/dbraw/zinc/77/70/94/606777094.db2.gz DUJWZKKPSLVJGG-UHFFFAOYSA-N -1 3 369.341 1.274 20 5 FDBDHM Cc1nn(C)c(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822486175 607081148 /nfs/dbraw/zinc/08/11/48/607081148.db2.gz AETTUVSXGMDAHC-UHFFFAOYSA-N -1 3 361.293 1.313 20 5 FDBDHM Cc1nn(C)c(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822486175 607081150 /nfs/dbraw/zinc/08/11/50/607081150.db2.gz AETTUVSXGMDAHC-UHFFFAOYSA-N -1 3 361.293 1.313 20 5 FDBDHM O=C(CCn1cc([N+](=O)[O-])cn1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822986846 607081363 /nfs/dbraw/zinc/08/13/63/607081363.db2.gz MDCQAEMQPUBUJA-UHFFFAOYSA-N -1 3 361.293 1.244 20 5 FDBDHM O=C(CCn1cc([N+](=O)[O-])cn1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822986846 607081365 /nfs/dbraw/zinc/08/13/65/607081365.db2.gz MDCQAEMQPUBUJA-UHFFFAOYSA-N -1 3 361.293 1.244 20 5 FDBDHM O=C(COc1ccccc1[N+](=O)[O-])Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823055787 607248992 /nfs/dbraw/zinc/24/89/92/607248992.db2.gz WGDGTVHXSUMKRW-UHFFFAOYSA-N -1 3 359.273 1.898 20 5 FDBDHM O=C(COc1ccccc1[N+](=O)[O-])Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823055787 607248993 /nfs/dbraw/zinc/24/89/93/607248993.db2.gz WGDGTVHXSUMKRW-UHFFFAOYSA-N -1 3 359.273 1.898 20 5 FDBDHM CO[C@@H]1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)[C@H]2C1 ZINC000826145487 607850348 /nfs/dbraw/zinc/85/03/48/607850348.db2.gz HMCVPVSVXZVTST-UGFHNGPFSA-N -1 3 360.374 1.548 20 5 FDBDHM CO[C@@H]1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)[C@H]2C1 ZINC000826145487 607850349 /nfs/dbraw/zinc/85/03/49/607850349.db2.gz HMCVPVSVXZVTST-UGFHNGPFSA-N -1 3 360.374 1.548 20 5 FDBDHM Cc1ccccc1OC[C@@H](O)COc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826307388 607876451 /nfs/dbraw/zinc/87/64/51/607876451.db2.gz GJMKGALTCZDPRD-GFCCVEGCSA-N -1 3 371.353 1.902 20 5 FDBDHM Cc1ccccc1OC[C@@H](O)COc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826307388 607876452 /nfs/dbraw/zinc/87/64/52/607876452.db2.gz GJMKGALTCZDPRD-GFCCVEGCSA-N -1 3 371.353 1.902 20 5 FDBDHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000826278564 607877472 /nfs/dbraw/zinc/87/74/72/607877472.db2.gz JFQARPDNTZDLFI-AWEZNQCLSA-N -1 3 371.353 1.902 20 5 FDBDHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000826278564 607877473 /nfs/dbraw/zinc/87/74/73/607877473.db2.gz JFQARPDNTZDLFI-AWEZNQCLSA-N -1 3 371.353 1.902 20 5 FDBDHM NC(=O)[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826388895 607903321 /nfs/dbraw/zinc/90/33/21/607903321.db2.gz LNARGAZNPYRQQG-AWEZNQCLSA-N -1 3 353.342 1.283 20 5 FDBDHM NC(=O)[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826388895 607903322 /nfs/dbraw/zinc/90/33/22/607903322.db2.gz LNARGAZNPYRQQG-AWEZNQCLSA-N -1 3 353.342 1.283 20 5 FDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826327656 607951116 /nfs/dbraw/zinc/95/11/16/607951116.db2.gz PKEHMDLKLUFUFX-UHFFFAOYSA-N -1 3 368.357 1.259 20 5 FDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826327656 607951117 /nfs/dbraw/zinc/95/11/17/607951117.db2.gz PKEHMDLKLUFUFX-UHFFFAOYSA-N -1 3 368.357 1.259 20 5 FDBDHM CC[C@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1O ZINC000825211563 608017743 /nfs/dbraw/zinc/01/77/43/608017743.db2.gz NBOAYFRLDDHMIE-XPTSAGLGSA-N -1 3 355.358 1.530 20 5 FDBDHM CC[C@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1O ZINC000825211563 608017744 /nfs/dbraw/zinc/01/77/44/608017744.db2.gz NBOAYFRLDDHMIE-XPTSAGLGSA-N -1 3 355.358 1.530 20 5 FDBDHM O=[N+]([O-])c1cnn(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826500725 608055113 /nfs/dbraw/zinc/05/51/13/608055113.db2.gz JZCGMGTVVJNYBY-CQSZACIVSA-N -1 3 356.346 1.002 20 5 FDBDHM O=[N+]([O-])c1cnn(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826500725 608055114 /nfs/dbraw/zinc/05/51/14/608055114.db2.gz JZCGMGTVVJNYBY-CQSZACIVSA-N -1 3 356.346 1.002 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000826500989 608296310 /nfs/dbraw/zinc/29/63/10/608296310.db2.gz UWVLFKKUOIUWKN-NEPJUHHUSA-N -1 3 359.390 1.813 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000826500989 608296312 /nfs/dbraw/zinc/29/63/12/608296312.db2.gz UWVLFKKUOIUWKN-NEPJUHHUSA-N -1 3 359.390 1.813 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCN(CC(F)F)CC1 ZINC000826497313 608302618 /nfs/dbraw/zinc/30/26/18/608302618.db2.gz CDGHZYFKDHTQJS-UHFFFAOYSA-N -1 3 353.333 1.552 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCCN(CC(F)F)CC1 ZINC000826497313 608302620 /nfs/dbraw/zinc/30/26/20/608302620.db2.gz CDGHZYFKDHTQJS-UHFFFAOYSA-N -1 3 353.333 1.552 20 5 FDBDHM Cc1nn(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1[N+](=O)[O-] ZINC000826334584 609534786 /nfs/dbraw/zinc/53/47/86/609534786.db2.gz ARWIDZGWWYKXIJ-HNNXBMFYSA-N -1 3 370.373 1.311 20 5 FDBDHM Cc1nn(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1[N+](=O)[O-] ZINC000826334584 609534787 /nfs/dbraw/zinc/53/47/87/609534787.db2.gz ARWIDZGWWYKXIJ-HNNXBMFYSA-N -1 3 370.373 1.311 20 5 FDBDHM C[C@H](C[S@@](C)=O)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824449260 609597979 /nfs/dbraw/zinc/59/79/79/609597979.db2.gz NASXNVMFUWHTES-IWHNICOQSA-N -1 3 361.387 1.502 20 5 FDBDHM C[C@H](C[S@@](C)=O)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824449260 609597981 /nfs/dbraw/zinc/59/79/81/609597981.db2.gz NASXNVMFUWHTES-IWHNICOQSA-N -1 3 361.387 1.502 20 5 FDBDHM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1=O ZINC000298222317 676442689 /nfs/dbraw/zinc/44/26/89/676442689.db2.gz SJDDINVMOCEGSR-AWEZNQCLSA-N -1 3 352.372 1.682 20 5 FDBDHM CC(C)(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)S(C)(=O)=O ZINC000416594924 679685844 /nfs/dbraw/zinc/68/58/44/679685844.db2.gz LHBDWRZUSHYKHL-UHFFFAOYSA-N -1 3 368.408 1.226 20 5 FDBDHM CCCNC(=O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416374313 679591161 /nfs/dbraw/zinc/59/11/61/679591161.db2.gz RAQJTPSYPNBMBU-UHFFFAOYSA-N -1 3 369.321 1.418 20 5 FDBDHM COC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416426798 679616489 /nfs/dbraw/zinc/61/64/89/679616489.db2.gz KROCVTCYWUVCDM-ZCFIWIBFSA-N -1 3 356.278 1.453 20 5 FDBDHM O=C1[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]2CCCCN12 ZINC000416517664 679645863 /nfs/dbraw/zinc/64/58/63/679645863.db2.gz SEOUMRMRQFYDLP-SKDRFNHKSA-N -1 3 357.363 1.166 20 5 FDBDHM CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416567393 679655635 /nfs/dbraw/zinc/65/56/35/679655635.db2.gz IIWABHFATKKPBB-WCBMZHEXSA-N -1 3 370.305 1.306 20 5 FDBDHM CNS(=O)(=O)c1csc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000473345408 685286620 /nfs/dbraw/zinc/28/66/20/685286620.db2.gz NJDGYDPRDGESQX-UHFFFAOYSA-N -1 3 359.360 1.956 20 5 FDBDHM C[C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000474319596 685389743 /nfs/dbraw/zinc/38/97/43/685389743.db2.gz XBNJBNNJQBGLKU-MRVPVSSYSA-N -1 3 370.836 1.350 20 5 FDBDHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000443010029 682211855 /nfs/dbraw/zinc/21/18/55/682211855.db2.gz CTMIJZAPNSSMLE-MRVPVSSYSA-N -1 3 371.396 1.877 20 5 FDBDHM COC(=O)c1nscc1S(=O)(=O)[N-]Cc1ccc([N+](=O)[O-])cc1 ZINC000443016515 682213777 /nfs/dbraw/zinc/21/37/77/682213777.db2.gz VTFCZYCLHAPYQK-UHFFFAOYSA-N -1 3 357.369 1.316 20 5 FDBDHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000443153598 682242230 /nfs/dbraw/zinc/24/22/30/682242230.db2.gz GTPJDBFQIUXBEV-UHFFFAOYSA-N -1 3 370.387 1.762 20 5 FDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](O)C1CCOCC1 ZINC000443279188 682268351 /nfs/dbraw/zinc/26/83/51/682268351.db2.gz FUARYVMTEPAFQO-GFCCVEGCSA-N -1 3 364.807 1.314 20 5 FDBDHM CSCC[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000443487618 682307458 /nfs/dbraw/zinc/30/74/58/682307458.db2.gz JCVMJGLMOGHJAK-MRVPVSSYSA-N -1 3 354.837 1.641 20 5 FDBDHM CCOC1CC(O)(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000443983611 682370138 /nfs/dbraw/zinc/37/01/38/682370138.db2.gz WDSOHELSAAVNQG-UHFFFAOYSA-N -1 3 364.807 1.457 20 5 FDBDHM COC(=O)c1nscc1S(=O)(=O)[N-]Cc1cccc([N+](=O)[O-])c1C ZINC000480858324 686239625 /nfs/dbraw/zinc/23/96/25/686239625.db2.gz RGERDFLRLAEJHH-UHFFFAOYSA-N -1 3 371.396 1.625 20 5 FDBDHM Cc1cc([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccn1 ZINC000492024677 687157219 /nfs/dbraw/zinc/15/72/19/687157219.db2.gz XUDADSXCVNTJBI-UHFFFAOYSA-N -1 3 351.340 1.292 20 5 FDBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cccc(Cl)c2S(C)(=O)=O)n1 ZINC000503426536 688357030 /nfs/dbraw/zinc/35/70/30/688357030.db2.gz HXUWPIMNBNQNBA-UHFFFAOYSA-N -1 3 358.763 1.638 20 5 FDBDHM COCc1nc([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])sc1C(=O)OC ZINC000511166049 689479704 /nfs/dbraw/zinc/47/97/04/689479704.db2.gz AAXPCKJVDBTFCE-UHFFFAOYSA-N -1 3 355.332 1.268 20 5 FDBDHM Cc1c(COC(=O)C[N-]S(=O)(=O)CCOC(C)C)cccc1[N+](=O)[O-] ZINC000748149722 773802568 /nfs/dbraw/zinc/80/25/68/773802568.db2.gz QPKAESKVWQKYFG-UHFFFAOYSA-N -1 3 374.415 1.291 20 5 FDBDHM O=C(NCC1(N2CCOCC2)CCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000376940254 790867158 /nfs/dbraw/zinc/86/71/58/790867158.db2.gz GFXRPABDLVSKBY-UHFFFAOYSA-N -1 3 364.402 1.460 20 5 FDBDHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000436778618 816713741 /nfs/dbraw/zinc/71/37/41/816713741.db2.gz RXVWRJHYOSKQMP-UHFFFAOYSA-N -1 3 359.342 1.058 20 5 FDBDHM CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000521328799 821214928 /nfs/dbraw/zinc/21/49/28/821214928.db2.gz PQIRDVSIIZVLGW-SECBINFHSA-N -1 3 360.326 1.921 20 5 FDBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]3CCCCN3C2=O)c(F)cc1[N+](=O)[O-] ZINC001212077388 837029277 /nfs/dbraw/zinc/02/92/77/837029277.db2.gz MHPMWSCCCCDYDW-ZYHUDNBSSA-N -1 3 371.390 1.474 20 5 FDBDHM CCOC(=O)c1ccc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c([O-])c1 ZINC000486797923 855436505 /nfs/dbraw/zinc/43/65/05/855436505.db2.gz RMIHIOFSJXVBHX-UHFFFAOYSA-N -1 3 361.310 1.278 20 5 FDBDHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000784258566 867706195 /nfs/dbraw/zinc/70/61/95/867706195.db2.gz VCMARSBOOVKVPO-GFCCVEGCSA-N -1 3 362.379 1.741 20 5 FDBDHM COC(=O)C1CCN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000272350753 877002133 /nfs/dbraw/zinc/00/21/33/877002133.db2.gz KNORJNNXJCNVAL-UHFFFAOYSA-N -1 3 365.386 1.305 20 5 FDBDHM COc1ccc(CC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737083581 924939003 /nfs/dbraw/zinc/93/90/03/924939003.db2.gz RSUJLEFNXJPABK-UHFFFAOYSA-N -1 3 368.353 1.989 20 5 FDBDHM COc1ccc(CC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737083581 924939010 /nfs/dbraw/zinc/93/90/10/924939010.db2.gz RSUJLEFNXJPABK-UHFFFAOYSA-N -1 3 368.353 1.989 20 5 FDBDHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000770105116 929851840 /nfs/dbraw/zinc/85/18/40/929851840.db2.gz SKGLNBOCOHZRHA-CYBMUJFWSA-N -1 3 374.415 1.481 20 5 FDBDHM O=C(c1nnc2ccccc2c1[O-])N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000787593374 932327342 /nfs/dbraw/zinc/32/73/42/932327342.db2.gz NQCUNLVASPWFJK-UHFFFAOYSA-N -1 3 368.353 1.917 20 5 FDBDHM O=[N+]([O-])c1ccc(NCCO)c([N-]S(=O)(=O)C[C@@H]2CCCOC2)c1 ZINC000788138278 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ZINC000736819606 598327619 /nfs/dbraw/zinc/32/76/19/598327619.db2.gz FRDMQUZUMDEBFV-UHFFFAOYSA-N -1 3 370.373 1.365 20 5 FDBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000736819606 598327621 /nfs/dbraw/zinc/32/76/21/598327621.db2.gz FRDMQUZUMDEBFV-UHFFFAOYSA-N -1 3 370.373 1.365 20 5 FDBDHM Cc1nn(CCC(=O)NCc2cccc(-c3nnn[n-]3)c2)c(C)c1[N+](=O)[O-] ZINC000737513810 598328308 /nfs/dbraw/zinc/32/83/08/598328308.db2.gz UNXDDCAJNIAFJN-UHFFFAOYSA-N -1 3 370.373 1.295 20 5 FDBDHM Cc1nn(CCC(=O)NCc2cccc(-c3nn[n-]n3)c2)c(C)c1[N+](=O)[O-] ZINC000737513810 598328310 /nfs/dbraw/zinc/32/83/10/598328310.db2.gz UNXDDCAJNIAFJN-UHFFFAOYSA-N -1 3 370.373 1.295 20 5 FDBDHM CCOc1ccc(C(=O)Nc2ccncc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736638140 598379182 /nfs/dbraw/zinc/37/91/82/598379182.db2.gz VEXXIECXPPINHG-UHFFFAOYSA-N -1 3 355.314 1.243 20 5 FDBDHM CCOc1ccc(C(=O)Nc2ccncc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736638140 598379184 /nfs/dbraw/zinc/37/91/84/598379184.db2.gz 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O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000826416377 607359818 /nfs/dbraw/zinc/35/98/18/607359818.db2.gz WSFHLUFSPOABCU-UHFFFAOYSA-N -1 3 353.294 1.815 20 5 FDBDHM CCCc1n[nH]c(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000736498643 598606710 /nfs/dbraw/zinc/60/67/10/598606710.db2.gz VUQJYGILEMEBRB-SECBINFHSA-N -1 3 370.373 1.942 20 5 FDBDHM Cc1ccc(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)cc1[N+](=O)[O-] ZINC000737315605 598617262 /nfs/dbraw/zinc/61/72/62/598617262.db2.gz PBUFYFGYSWRWGB-UHFFFAOYSA-N -1 3 372.370 1.638 20 5 FDBDHM Cc1ccc(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)cc1[N+](=O)[O-] ZINC000737315605 598617264 /nfs/dbraw/zinc/61/72/64/598617264.db2.gz PBUFYFGYSWRWGB-UHFFFAOYSA-N -1 3 372.370 1.638 20 5 FDBDHM COc1cccc([C@@H](O)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737128126 598678461 /nfs/dbraw/zinc/67/84/61/598678461.db2.gz NHFWWXJWUGXTNH-HNNXBMFYSA-N -1 3 356.342 1.929 20 5 FDBDHM COc1cccc([C@@H](O)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000737128126 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ZINC000822632555 606546799 /nfs/dbraw/zinc/54/67/99/606546799.db2.gz YPHOGKXOYZWZOZ-UHFFFAOYSA-N -1 3 355.358 1.779 20 5 FDBDHM O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823355412 606622886 /nfs/dbraw/zinc/62/28/86/606622886.db2.gz CDHGPQHSDRSVIO-UHFFFAOYSA-N -1 3 362.309 1.970 20 5 FDBDHM O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823355412 606622888 /nfs/dbraw/zinc/62/28/88/606622888.db2.gz CDHGPQHSDRSVIO-UHFFFAOYSA-N -1 3 362.309 1.970 20 5 FDBDHM Cc1nccn1[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000822476983 606708892 /nfs/dbraw/zinc/70/88/92/606708892.db2.gz BVUINMUFANYDNR-LLVKDONJSA-N -1 3 355.362 1.516 20 5 FDBDHM Cc1nccn1[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000822476983 606708894 /nfs/dbraw/zinc/70/88/94/606708894.db2.gz BVUINMUFANYDNR-LLVKDONJSA-N -1 3 355.362 1.516 20 5 FDBDHM COCCN(Cc1cccnc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821690519 606830154 /nfs/dbraw/zinc/83/01/54/606830154.db2.gz 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Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000822907313 606899873 /nfs/dbraw/zinc/89/98/73/606899873.db2.gz HFDPLAMXLKCPGH-UHFFFAOYSA-N -1 3 358.289 1.853 20 5 FDBDHM C[C@@H]1COCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825006238 607822523 /nfs/dbraw/zinc/82/25/23/607822523.db2.gz GYDNVAJDXKBRJQ-JTQLQIEISA-N -1 3 355.358 1.796 20 5 FDBDHM C[C@@H]1COCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825006238 607822524 /nfs/dbraw/zinc/82/25/24/607822524.db2.gz GYDNVAJDXKBRJQ-JTQLQIEISA-N -1 3 355.358 1.796 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@H](O)COCc1ccccc1 ZINC000826497339 607873440 /nfs/dbraw/zinc/87/34/40/607873440.db2.gz DEHMLPRMDYJFNK-CQSZACIVSA-N -1 3 371.353 1.731 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@H](O)COCc1ccccc1 ZINC000826497339 607873441 /nfs/dbraw/zinc/87/34/41/607873441.db2.gz DEHMLPRMDYJFNK-CQSZACIVSA-N -1 3 371.353 1.731 20 5 FDBDHM CC[C@@H]1CN(C(C)=O)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825210294 607904365 /nfs/dbraw/zinc/90/43/65/607904365.db2.gz GCPZKWGGKCXFIC-YPMHNXCESA-N -1 3 359.390 1.834 20 5 FDBDHM CC[C@@H]1CN(C(C)=O)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825210294 607904366 /nfs/dbraw/zinc/90/43/66/607904366.db2.gz GCPZKWGGKCXFIC-YPMHNXCESA-N -1 3 359.390 1.834 20 5 FDBDHM CC[C@H]1CN(C(C)=O)CC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825210293 607904504 /nfs/dbraw/zinc/90/45/04/607904504.db2.gz GCPZKWGGKCXFIC-WCQYABFASA-N -1 3 359.390 1.834 20 5 FDBDHM CC[C@H]1CN(C(C)=O)CC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825210293 607904505 /nfs/dbraw/zinc/90/45/05/607904505.db2.gz GCPZKWGGKCXFIC-WCQYABFASA-N -1 3 359.390 1.834 20 5 FDBDHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000826413336 608217757 /nfs/dbraw/zinc/21/77/57/608217757.db2.gz ATAMQUVOIYACQS-UHFFFAOYSA-N -1 3 366.341 1.171 20 5 FDBDHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000826413336 608217759 /nfs/dbraw/zinc/21/77/59/608217759.db2.gz ATAMQUVOIYACQS-UHFFFAOYSA-N -1 3 366.341 1.171 20 5 FDBDHM Cn1cc([N+](=O)[O-])c(C(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826362755 608255916 /nfs/dbraw/zinc/25/59/16/608255916.db2.gz HOWAKMSXLJWBRO-UHFFFAOYSA-N -1 3 373.329 1.134 20 5 FDBDHM CCOC(=O)[C@H](C)N(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825486033 608380559 /nfs/dbraw/zinc/38/05/59/608380559.db2.gz MADKPDNBLUZAFH-VIFPVBQESA-N -1 3 371.357 1.711 20 5 FDBDHM CCOC(=O)[C@H](C)N(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825486033 608380561 /nfs/dbraw/zinc/38/05/61/608380561.db2.gz MADKPDNBLUZAFH-VIFPVBQESA-N -1 3 371.357 1.711 20 5 FDBDHM Cc1nn([C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c(C)c1[N+](=O)[O-] ZINC000826332855 608387679 /nfs/dbraw/zinc/38/76/79/608387679.db2.gz KMSMUEONLSITOM-SNVBAGLBSA-N -1 3 356.346 1.788 20 5 FDBDHM Cc1nn([C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c(C)c1[N+](=O)[O-] ZINC000826332855 608387681 /nfs/dbraw/zinc/38/76/81/608387681.db2.gz KMSMUEONLSITOM-SNVBAGLBSA-N -1 3 356.346 1.788 20 5 FDBDHM COc1ccc(-c2nnn[n-]2)cc1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000826184832 608407128 /nfs/dbraw/zinc/40/71/28/608407128.db2.gz MOIYTHIZRLNSRF-UHFFFAOYSA-N -1 3 362.733 1.647 20 5 FDBDHM COc1ccc(-c2nn[n-]n2)cc1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000826184832 608407129 /nfs/dbraw/zinc/40/71/29/608407129.db2.gz MOIYTHIZRLNSRF-UHFFFAOYSA-N -1 3 362.733 1.647 20 5 FDBDHM Cc1cccn2cc(CNc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)nc12 ZINC000826308009 608410231 /nfs/dbraw/zinc/41/02/31/608410231.db2.gz FNURRNRBSAYJHT-UHFFFAOYSA-N -1 3 351.330 1.738 20 5 FDBDHM Cc1cccn2cc(CNc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)nc12 ZINC000826308009 608410233 /nfs/dbraw/zinc/41/02/33/608410233.db2.gz FNURRNRBSAYJHT-UHFFFAOYSA-N -1 3 351.330 1.738 20 5 FDBDHM Cc1nn(C)c(C)c1CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826333729 608414106 /nfs/dbraw/zinc/41/41/06/608414106.db2.gz SEBPZCFLDBBMAI-UHFFFAOYSA-N -1 3 357.378 1.565 20 5 FDBDHM Cc1nn(C)c(C)c1CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826333729 608414107 /nfs/dbraw/zinc/41/41/07/608414107.db2.gz SEBPZCFLDBBMAI-UHFFFAOYSA-N -1 3 357.378 1.565 20 5 FDBDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824640642 608426235 /nfs/dbraw/zinc/42/62/35/608426235.db2.gz MTJWJOWHULZEJY-JTQLQIEISA-N -1 3 374.382 1.814 20 5 FDBDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824640642 608426236 /nfs/dbraw/zinc/42/62/36/608426236.db2.gz MTJWJOWHULZEJY-JTQLQIEISA-N -1 3 374.382 1.814 20 5 FDBDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000824448448 609147163 /nfs/dbraw/zinc/14/71/63/609147163.db2.gz IJBOWHYQASCQNX-SECBINFHSA-N -1 3 373.329 1.133 20 5 FDBDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000824448448 609147166 /nfs/dbraw/zinc/14/71/66/609147166.db2.gz IJBOWHYQASCQNX-SECBINFHSA-N -1 3 373.329 1.133 20 5 FDBDHM O=C1[C@@H](n2cc([N+](=O)[O-])cn2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477336 609438857 /nfs/dbraw/zinc/43/88/57/609438857.db2.gz AGZCKTORWBKJHM-ZDUSSCGKSA-N -1 3 354.330 1.340 20 5 FDBDHM O=C1[C@@H](n2cc([N+](=O)[O-])cn2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477336 609438859 /nfs/dbraw/zinc/43/88/59/609438859.db2.gz AGZCKTORWBKJHM-ZDUSSCGKSA-N -1 3 354.330 1.340 20 5 FDBDHM Cc1ccnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1-c1nnn[n-]1 ZINC000826311124 609531778 /nfs/dbraw/zinc/53/17/78/609531778.db2.gz UOYHYWRXQOUJHW-UHFFFAOYSA-N -1 3 367.373 1.200 20 5 FDBDHM Cc1ccnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1-c1nn[n-]n1 ZINC000826311124 609531779 /nfs/dbraw/zinc/53/17/79/609531779.db2.gz UOYHYWRXQOUJHW-UHFFFAOYSA-N -1 3 367.373 1.200 20 5 FDBDHM C[C@@H](O)[C@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000824690047 609569723 /nfs/dbraw/zinc/56/97/23/609569723.db2.gz PPRQRXCUHCVMIM-ZJUUUORDSA-N -1 3 355.358 1.530 20 5 FDBDHM C[C@@H](O)[C@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000824690047 609569726 /nfs/dbraw/zinc/56/97/26/609569726.db2.gz PPRQRXCUHCVMIM-ZJUUUORDSA-N -1 3 355.358 1.530 20 5 FDBDHM CC(C)(C(=O)Nc1n[n-]c(SCCO)n1)c1ccc([N+](=O)[O-])cc1F ZINC000273857660 674576534 /nfs/dbraw/zinc/57/65/34/674576534.db2.gz LOWMUDIMQPXIKY-UHFFFAOYSA-N -1 3 369.378 1.853 20 5 FDBDHM Cc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000006315553 670531434 /nfs/dbraw/zinc/53/14/34/670531434.db2.gz CUTWCEXXIIMUSR-UHFFFAOYSA-N -1 3 357.779 1.382 20 5 FDBDHM O=c1[n-]c(=O)n(Cc2ccc(Br)c([N+](=O)[O-])c2)cc1Cl ZINC000157830518 671973514 /nfs/dbraw/zinc/97/35/14/671973514.db2.gz QDEWDPWIVWYVSY-UHFFFAOYSA-N -1 3 360.551 1.909 20 5 FDBDHM C[C@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000267866634 673339521 /nfs/dbraw/zinc/33/95/21/673339521.db2.gz KFHXYWYSIOWTLZ-MWLCHTKSSA-N -1 3 364.807 1.721 20 5 FDBDHM C[C@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000267866631 673339716 /nfs/dbraw/zinc/33/97/16/673339716.db2.gz KFHXYWYSIOWTLZ-KOLCDFICSA-N -1 3 364.807 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C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCN1CC(F)(F)F ZINC000824999520 608100429 /nfs/dbraw/zinc/10/04/29/608100429.db2.gz HDHOSZDOUOZQKL-QMMMGPOBSA-N -1 3 372.311 1.243 20 5 FDBDHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826471265 608121839 /nfs/dbraw/zinc/12/18/39/608121839.db2.gz TUMSEHYFQFXDBF-UHFFFAOYSA-N -1 3 353.342 1.908 20 5 FDBDHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826471265 608121840 /nfs/dbraw/zinc/12/18/40/608121840.db2.gz TUMSEHYFQFXDBF-UHFFFAOYSA-N -1 3 353.342 1.908 20 5 FDBDHM O=C(C[C@@H]1CCOC1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826405134 608161597 /nfs/dbraw/zinc/16/15/97/608161597.db2.gz WOVKQVUDWREVLH-ZETCQYMHSA-N -1 3 352.738 1.793 20 5 FDBDHM O=C(C[C@@H]1CCOC1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826405134 608161599 /nfs/dbraw/zinc/16/15/99/608161599.db2.gz WOVKQVUDWREVLH-ZETCQYMHSA-N -1 3 352.738 1.793 20 5 FDBDHM COCCOCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826161251 608162810 /nfs/dbraw/zinc/16/28/10/608162810.db2.gz ZFUFFBJBDGKSCB-UHFFFAOYSA-N -1 3 370.753 1.420 20 5 FDBDHM COCCOCCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826161251 608162812 /nfs/dbraw/zinc/16/28/12/608162812.db2.gz ZFUFFBJBDGKSCB-UHFFFAOYSA-N -1 3 370.753 1.420 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCc1nnc2n1CCCC2 ZINC000826497631 608194555 /nfs/dbraw/zinc/19/45/55/608194555.db2.gz NWDKMTBMSINGPC-UHFFFAOYSA-N -1 3 369.389 1.747 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCc1nnc2n1CCCC2 ZINC000826497631 608194556 /nfs/dbraw/zinc/19/45/56/608194556.db2.gz NWDKMTBMSINGPC-UHFFFAOYSA-N -1 3 369.389 1.747 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)cn1 ZINC000826498928 608528874 /nfs/dbraw/zinc/52/88/74/608528874.db2.gz OROOVBCPQSXTGQ-UHFFFAOYSA-N -1 3 356.346 1.085 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)cn1 ZINC000826498928 608528875 /nfs/dbraw/zinc/52/88/75/608528875.db2.gz OROOVBCPQSXTGQ-UHFFFAOYSA-N -1 3 356.346 1.085 20 5 FDBDHM O=C(NCc1ccccc1[N+](=O)[O-])[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443349 609202019 /nfs/dbraw/zinc/20/20/19/609202019.db2.gz LKKZDWUOTHQZHA-AWEZNQCLSA-N -1 3 354.326 1.125 20 5 FDBDHM O=C(NCc1ccccc1[N+](=O)[O-])[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443349 609202020 /nfs/dbraw/zinc/20/20/20/609202020.db2.gz LKKZDWUOTHQZHA-AWEZNQCLSA-N -1 3 354.326 1.125 20 5 FDBDHM Nc1cccc([N+](=O)[O-])c1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826396277 609350638 /nfs/dbraw/zinc/35/06/38/609350638.db2.gz PNUQJEFFCWXVFW-UHFFFAOYSA-N -1 3 358.289 1.853 20 5 FDBDHM Nc1cccc([N+](=O)[O-])c1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826396277 609350639 /nfs/dbraw/zinc/35/06/39/609350639.db2.gz PNUQJEFFCWXVFW-UHFFFAOYSA-N -1 3 358.289 1.853 20 5 FDBDHM COC(=O)c1cnc(SCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[n-]1 ZINC000278717640 675184914 /nfs/dbraw/zinc/18/49/14/675184914.db2.gz SMCDPVNWKXRCRI-UHFFFAOYSA-N -1 3 362.367 1.786 20 5 FDBDHM O=C(N[C@@H]1CCCC[C@@H]1N1CCOCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373077883 678020140 /nfs/dbraw/zinc/02/01/40/678020140.db2.gz DFSDZQTZHYYHFY-OLZOCXBDSA-N -1 3 350.375 1.069 20 5 FDBDHM COC(=O)C1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000416449152 679625446 /nfs/dbraw/zinc/62/54/46/679625446.db2.gz IWOPKMASQCFLPI-UHFFFAOYSA-N -1 3 368.289 1.598 20 5 FDBDHM CS(=O)(=O)[N-]c1cncc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000473348609 685287025 /nfs/dbraw/zinc/28/70/25/685287025.db2.gz UBPSVMWTMUKYKC-UHFFFAOYSA-N -1 3 354.319 1.753 20 5 FDBDHM O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1[O-] ZINC000436540179 681704223 /nfs/dbraw/zinc/70/42/23/681704223.db2.gz QOINMMCMPMIMRA-UHFFFAOYSA-N -1 3 365.367 1.009 20 5 FDBDHM CC(C)[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443251855 682262056 /nfs/dbraw/zinc/26/20/56/682262056.db2.gz PXIKUCSYIFLCFB-JTQLQIEISA-N -1 3 367.221 1.653 20 5 FDBDHM COc1cc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc([N+](=O)[O-])c1C ZINC000480413491 686168028 /nfs/dbraw/zinc/16/80/28/686168028.db2.gz RQFBIZOWQXBTBU-UHFFFAOYSA-N -1 3 359.264 1.979 20 5 FDBDHM CCc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1S(N)(=O)=O ZINC000485385231 686711782 /nfs/dbraw/zinc/71/17/82/686711782.db2.gz XXQCBFRORFHNIE-UHFFFAOYSA-N -1 3 366.355 1.158 20 5 FDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)[C@@H](O)C(F)(F)F)c1C ZINC001213349251 775936783 /nfs/dbraw/zinc/93/67/83/775936783.db2.gz WDYUWNFTCIQCNB-LDYMZIIASA-N -1 3 356.322 1.802 20 5 FDBDHM CCCCc1nc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c(C(=O)OCC)[n-]1 ZINC000276889225 780009303 /nfs/dbraw/zinc/00/93/03/780009303.db2.gz MOGFSMJRGLAJPX-UHFFFAOYSA-N -1 3 364.362 1.823 20 5 FDBDHM Cn1ncc2c1ncc(C(=O)N1CCc3ncc([N+](=O)[O-])cc3C1)c2[O-] ZINC000512010413 807363898 /nfs/dbraw/zinc/36/38/98/807363898.db2.gz PTTSISDHNMFRLP-UHFFFAOYSA-N -1 3 354.326 1.176 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ncnn2-c2ccccc2)nc1 ZINC001211716200 809153974 /nfs/dbraw/zinc/15/39/74/809153974.db2.gz ISGRFCKXVDBHEA-UHFFFAOYSA-N -1 3 360.355 1.049 20 5 FDBDHM COC(=O)C1CCN(CCCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000505783973 816400011 /nfs/dbraw/zinc/40/00/11/816400011.db2.gz VBBWZWNGPWQKRZ-UHFFFAOYSA-N -1 3 365.386 1.305 20 5 FDBDHM CCCN(CCN1CCN(CC)CC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436925876 816798023 /nfs/dbraw/zinc/79/80/23/816798023.db2.gz JXBTZGJUSQLZRN-UHFFFAOYSA-N -1 3 364.446 1.790 20 5 FDBDHM COc1cc(C(=O)OCCn2cc([N+](=O)[O-])ccc2=O)cc(OC)c1[O-] ZINC000761431261 868415860 /nfs/dbraw/zinc/41/58/60/868415860.db2.gz RFMMYVQIOFVHTE-UHFFFAOYSA-N -1 3 364.310 1.336 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc3c2OCCO3)c(F)c1 ZINC000728060064 912276299 /nfs/dbraw/zinc/27/62/99/912276299.db2.gz NPRKQVIEVCAYBF-UHFFFAOYSA-N -1 3 368.342 1.984 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)C2CC2)c(Br)c1 ZINC000751421833 910930233 /nfs/dbraw/zinc/93/02/33/910930233.db2.gz HGWYIJRDEDYSLY-JTQLQIEISA-N -1 3 365.205 1.407 20 5 FDBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-][C@H]1CCCCC12OCCO2 ZINC000766842634 928922158 /nfs/dbraw/zinc/92/21/58/928922158.db2.gz WSZGIRDGIHEFIW-HNNXBMFYSA-N -1 3 370.427 1.742 20 5 FDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]N=c2cc(Cl)nc(N)[nH]2)c1[N+](=O)[O-] ZINC000790397872 933539013 /nfs/dbraw/zinc/53/90/13/933539013.db2.gz HEYYYOGHDOBFSL-UHFFFAOYSA-N -1 3 372.794 1.543 20 5 FDBDHM COc1c(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cccc1[N+](=O)[O-] ZINC000812384585 941197523 /nfs/dbraw/zinc/19/75/23/941197523.db2.gz SEOIVKYPGYGZCK-UHFFFAOYSA-N -1 3 372.337 1.752 20 5 FDBDHM CC(COC(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[N+](=O)[O-] ZINC000813106901 941333847 /nfs/dbraw/zinc/33/38/47/941333847.db2.gz HNXVRBMZBNYECW-VIFPVBQESA-N -1 3 371.396 1.766 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCN2C2CCOCC2)c(F)c1 ZINC001195288484 970825537 /nfs/dbraw/zinc/82/55/37/970825537.db2.gz WJQXDRNRQVYOTN-CYBMUJFWSA-N -1 3 373.406 1.266 20 5 FDBDHM O=[N+]([O-])c1cnc(NCCc2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000823652305 946461781 /nfs/dbraw/zinc/46/17/81/946461781.db2.gz ZIBQUUSJUPDDEL-UHFFFAOYSA-N -1 3 356.302 1.733 20 5 FDBDHM O=[N+]([O-])c1cnc(NCCc2ccccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000823652305 946461789 /nfs/dbraw/zinc/46/17/89/946461789.db2.gz ZIBQUUSJUPDDEL-UHFFFAOYSA-N -1 3 356.302 1.733 20 5 FDBDHM COC(=O)N1CCC[C@@H]([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000845910594 950159569 /nfs/dbraw/zinc/15/95/69/950159569.db2.gz GHUXFQIZXHVQLR-WDEREUQCSA-N -1 3 372.403 1.135 20 5 FDBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@](C)(O)c1ccccc1 ZINC000845978453 950260171 /nfs/dbraw/zinc/26/01/71/950260171.db2.gz BCGDLFLVERLOQD-NHYWBVRUSA-N -1 3 351.384 1.564 20 5 FDBDHM C[C@H]1C(=O)N([N-]C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C(=O)N1C ZINC001148187975 952641552 /nfs/dbraw/zinc/64/15/52/952641552.db2.gz URWSFWXYWYVVQH-LURJTMIESA-N -1 3 358.257 1.124 20 5 FDBDHM O=C1[C@@H](N2CCC(Cc3nn[n-]n3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001197449778 972235332 /nfs/dbraw/zinc/23/53/32/972235332.db2.gz MVOUZUNJGOQCJW-HNNXBMFYSA-N -1 3 371.401 1.168 20 5 FDBDHM CCS(=O)(=O)N1CCN(Cc2ccc([O-])c(OC)c2[N+](=O)[O-])[C@H](C)C1 ZINC001181600290 960983681 /nfs/dbraw/zinc/98/36/81/960983681.db2.gz LSYVUDMCIFLJSO-LLVKDONJSA-N -1 3 373.431 1.165 20 5 FDBDHM O=C([O-])[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1c1ccc(F)cc1F ZINC001326842961 961131663 /nfs/dbraw/zinc/13/16/63/961131663.db2.gz KBAHHLLGNHSDPN-QWHCGFSZSA-N -1 3 366.324 1.870 20 5 FDBDHM O=C([O-])[C@]1(N2CCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)CCOC1 ZINC001331747127 961385068 /nfs/dbraw/zinc/38/50/68/961385068.db2.gz HFPQVBYHTQKSLR-SFHVURJKSA-N -1 3 372.381 1.509 20 5 FDBDHM O=C([O-])[C@]1(N2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)CCOC1 ZINC001331947820 961428777 /nfs/dbraw/zinc/42/87/77/961428777.db2.gz ORIIUCVTELYTRZ-AJNOYIKESA-N -1 3 361.398 1.469 20 5 FDBDHM CC(C)(O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000774900310 963994498 /nfs/dbraw/zinc/99/44/98/963994498.db2.gz SRQSSWGUFKVVGG-UHFFFAOYSA-N -1 3 367.221 1.797 20 5 FDBDHM COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001180027029 965078614 /nfs/dbraw/zinc/07/86/14/965078614.db2.gz AXBRXYSHVXVSOJ-SNVBAGLBSA-N -1 3 359.342 1.108 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCSCCC(F)(F)F)nc1 ZINC001193677809 969807248 /nfs/dbraw/zinc/80/72/48/969807248.db2.gz AAFDNSFPNFVNCA-UHFFFAOYSA-N -1 3 359.351 1.954 20 5 FDBDHM C[C@@H]1C[C@]2(CC[C@H](C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)O2)CO1 ZINC001194977401 970579350 /nfs/dbraw/zinc/57/93/50/970579350.db2.gz PSGNSFCHRHEWKY-IXPVHAAZSA-N -1 3 374.390 1.739 20 5 FDBDHM CC[C@@H](C)NC(=O)[C@H](C)[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848581710 976910688 /nfs/dbraw/zinc/91/06/88/976910688.db2.gz CBXQBKOIIVANMW-ZJUUUORDSA-N -1 3 359.329 1.986 20 5 FDBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(OC)OC ZINC000849407892 977523923 /nfs/dbraw/zinc/52/39/23/977523923.db2.gz XXIKFVRINLIVOS-SNVBAGLBSA-N -1 3 352.796 1.924 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](CO)Cc1ccc(O)cc1 ZINC000826497529 986641600 /nfs/dbraw/zinc/64/16/00/986641600.db2.gz KBYNUKWJWOBIRA-LBPRGKRZSA-N -1 3 356.342 1.496 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](CO)Cc1ccc(O)cc1 ZINC000826497529 986641613 /nfs/dbraw/zinc/64/16/13/986641613.db2.gz KBYNUKWJWOBIRA-LBPRGKRZSA-N -1 3 356.342 1.496 20 5 FDBDHM CN1C[C@@H](OC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1C(=O)[O-] ZINC001598576025 993276805 /nfs/dbraw/zinc/27/68/05/993276805.db2.gz WXVQAVMORHYDMB-WDEREUQCSA-N -1 3 362.260 1.928 20 5 FDBDHM COCCN1CCC(Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001599243974 998104408 /nfs/dbraw/zinc/10/44/08/998104408.db2.gz OOTRWSNSUFDNJC-UHFFFAOYSA-N -1 3 368.346 1.724 20 5 FDBDHM O=[N+]([O-])c1ccc(CCS(=O)(=O)[N-]Cc2nc(C3CC3)no2)cc1 ZINC000779885338 1012184793 /nfs/dbraw/zinc/18/47/93/1012184793.db2.gz TWYAHTBGDBDSNM-UHFFFAOYSA-N -1 3 352.372 1.517 20 5 FDBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cccnc2-n2cccn2)c([N+](=O)[O-])c1 ZINC000507391480 538916961 /nfs/dbraw/zinc/91/69/61/538916961.db2.gz OJZAWDHMQBPSNI-UHFFFAOYSA-N -1 3 373.394 1.962 20 5 FDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC(=O)NCC(F)(F)F)c1[N+](=O)[O-] ZINC000189866444 177961623 /nfs/dbraw/zinc/96/16/23/177961623.db2.gz YVMAATKORXVQCD-UHFFFAOYSA-N -1 3 369.321 1.168 20 5 FDBDHM Cc1c(F)cc(S(=O)(=O)[N-]C[C@H](C)N2CCCCC2=O)cc1[N+](=O)[O-] ZINC000193873599 178185996 /nfs/dbraw/zinc/18/59/96/178185996.db2.gz SEILEZFKGGTKQK-JTQLQIEISA-N -1 3 373.406 1.722 20 5 FDBDHM C[C@]1(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCCS1 ZINC000268142116 180006997 /nfs/dbraw/zinc/00/69/97/180006997.db2.gz CRSUXDZNMVROHI-CQSZACIVSA-N -1 3 374.440 1.930 20 5 FDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CO[C@H]2CCOC2)c1C ZINC000268826151 180165657 /nfs/dbraw/zinc/16/56/57/180165657.db2.gz YXSNOWYLHHCYIT-AAEUAGOBSA-N -1 3 358.416 1.684 20 5 FDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCc3nc[n-]c(=O)c3C2)cc1C ZINC000269686454 180361604 /nfs/dbraw/zinc/36/16/04/180361604.db2.gz DYYODMKCCCDDJH-UHFFFAOYSA-N -1 3 364.383 1.454 20 5 FDBDHM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269827268 180399638 /nfs/dbraw/zinc/39/96/38/180399638.db2.gz WZBYGYRTMRBDRP-GXSJLCMTSA-N -1 3 360.388 1.051 20 5 FDBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(=O)C(C)(C)C ZINC000274422314 181089780 /nfs/dbraw/zinc/08/97/80/181089780.db2.gz YLNLXCUUXRFMTF-UHFFFAOYSA-N -1 3 358.372 1.275 20 5 FDBDHM C[C@@H](CCN1CCN(C)CC1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000274422477 181090087 /nfs/dbraw/zinc/09/00/87/181090087.db2.gz ABPVQFGXMXOZLE-LBPRGKRZSA-N -1 3 374.438 1.038 20 5 FDBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1OC ZINC000274810614 181169206 /nfs/dbraw/zinc/16/92/06/181169206.db2.gz SZBDHJIEUHEPCH-NQBHXWOUSA-N -1 3 364.807 1.719 20 5 FDBDHM Cc1c(F)cc(S(=O)(=O)[N-]CC2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000274819916 181171324 /nfs/dbraw/zinc/17/13/24/181171324.db2.gz WAVZJDMETOTOGQ-UHFFFAOYSA-N -1 3 362.379 1.110 20 5 FDBDHM Cc1nc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)n(-c2ccccc2)n1 ZINC000531934408 540130068 /nfs/dbraw/zinc/13/00/68/540130068.db2.gz VFTWAGREFLCXNH-UHFFFAOYSA-N -1 3 367.321 1.887 20 5 FDBDHM O=C(NCC1(N2CCSCC2)CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274898238 181189486 /nfs/dbraw/zinc/18/94/86/181189486.db2.gz OLTJECGQSOSTNO-UHFFFAOYSA-N -1 3 366.443 1.787 20 5 FDBDHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275092898 181235732 /nfs/dbraw/zinc/23/57/32/181235732.db2.gz RHZVWFOORMWADC-JTQLQIEISA-N -1 3 364.395 1.820 20 5 FDBDHM CCCCOC(=O)C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275118914 181243413 /nfs/dbraw/zinc/24/34/13/181243413.db2.gz YAWFOTPUZAQRHB-UHFFFAOYSA-N -1 3 364.351 1.364 20 5 FDBDHM O=C(Nc1ccccc1CN1CCC(O)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275193013 181258214 /nfs/dbraw/zinc/25/82/14/181258214.db2.gz ZTWPNOJGCSKTMU-UHFFFAOYSA-N -1 3 372.381 1.904 20 5 FDBDHM COc1ccc(S(=O)(=O)[N-]CC[C@@H](C)[S@@](C)=O)c([N+](=O)[O-])c1 ZINC000481062771 538872358 /nfs/dbraw/zinc/87/23/58/538872358.db2.gz 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FDBDHM COc1cc([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000561352190 545815292 /nfs/dbraw/zinc/81/52/92/545815292.db2.gz MOEUTKDVHSUWQR-UHFFFAOYSA-N -1 3 354.344 1.291 20 5 FDBDHM COc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)n1 ZINC000566648245 547838947 /nfs/dbraw/zinc/83/89/47/547838947.db2.gz MRWMFTXUCHDIGM-UHFFFAOYSA-N -1 3 353.356 1.486 20 5 FDBDHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)nc1=N ZINC000569582859 548971104 /nfs/dbraw/zinc/97/11/04/548971104.db2.gz CVJJFHHBCSBJRB-MJBXVCDLSA-N -1 3 356.386 1.603 20 5 FDBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccnc(C)c2Br)n1 ZINC000571235067 549574960 /nfs/dbraw/zinc/57/49/60/549574960.db2.gz QVBFIVDYYZTFRI-UHFFFAOYSA-N -1 3 354.164 1.951 20 5 FDBDHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)CC1CC1 ZINC000573570517 550167133 /nfs/dbraw/zinc/16/71/33/550167133.db2.gz NWAZUPXWHOKQHJ-LLVKDONJSA-N -1 3 372.399 1.471 20 5 FDBDHM COC(=O)[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)CC1CC1 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/nfs/dbraw/zinc/65/45/87/550654587.db2.gz XJLIGESXGGAICY-CYBMUJFWSA-N -1 3 363.395 1.798 20 5 FDBDHM COc1cc(CNc2ccc(C)c(S(N)(=O)=O)c2)c([N+](=O)[O-])cc1[O-] ZINC000578549878 550776050 /nfs/dbraw/zinc/77/60/50/550776050.db2.gz DXMAYPIKFAHVMF-UHFFFAOYSA-N -1 3 367.383 1.877 20 5 FDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC000580621306 551001140 /nfs/dbraw/zinc/00/11/40/551001140.db2.gz PWHYKFARZYARHU-SECBINFHSA-N -1 3 356.322 1.803 20 5 FDBDHM O=C([O-])[C@@H]1Cc2ccccc2CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000580838342 551023886 /nfs/dbraw/zinc/02/38/86/551023886.db2.gz FBOIHDQGWPGTCN-RDJZCZTQSA-N -1 3 372.377 1.846 20 5 FDBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]Cc2ncn(-c3ccccc3)n2)cc1 ZINC000580905821 551031459 /nfs/dbraw/zinc/03/14/59/551031459.db2.gz RSIWKTWSYOOSIA-UHFFFAOYSA-N -1 3 373.394 1.795 20 5 FDBDHM Cc1c(CNC(=O)C[N-]S(=O)(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000582457815 551226628 /nfs/dbraw/zinc/22/66/28/551226628.db2.gz GJEBUMQTFSNASP-UHFFFAOYSA-N -1 3 369.424 1.559 20 5 FDBDHM COC(=O)c1cc([N-]S(=O)(=O)N2CCC[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000583119185 551305978 /nfs/dbraw/zinc/30/59/78/551305978.db2.gz DWORBAIAIROVKT-SECBINFHSA-N -1 3 357.388 1.831 20 5 FDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](c1nncn1C)C(C)C ZINC000586770402 551617080 /nfs/dbraw/zinc/61/70/80/551617080.db2.gz KDPOIZRCXUCURK-GFCCVEGCSA-N -1 3 369.403 1.408 20 5 FDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1noc2c1CCCC2 ZINC000588902377 551698188 /nfs/dbraw/zinc/69/81/88/551698188.db2.gz WVDJJDFITVEOFT-UHFFFAOYSA-N -1 3 367.383 1.949 20 5 FDBDHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(C(N)=O)c2)c(F)cc1[N+](=O)[O-] ZINC000590588638 551795416 /nfs/dbraw/zinc/79/54/16/551795416.db2.gz LNBUIQPGUWLVDS-UHFFFAOYSA-N -1 3 367.358 1.620 20 5 FDBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@@H]1CC[C@@H]3C[C@@H]3C1)OCCO2 ZINC000592108686 551943808 /nfs/dbraw/zinc/94/38/08/551943808.db2.gz SXFHZAATVBXUSN-GMTAPVOTSA-N -1 3 354.384 1.833 20 5 FDBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cn(C2CCC2)nn1 ZINC000592946646 552047047 /nfs/dbraw/zinc/04/70/47/552047047.db2.gz UQGSHQQKTRCVIT-UHFFFAOYSA-N -1 3 354.330 1.949 20 5 FDBDHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000592950727 552047549 /nfs/dbraw/zinc/04/75/49/552047549.db2.gz SSLVFKNGOSAKNO-UHFFFAOYSA-N -1 3 366.399 2.406 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N2CCCC2)nc1 ZINC000593525302 552122714 /nfs/dbraw/zinc/12/27/14/552122714.db2.gz PEIKWRLAIXPZSP-ZDUSSCGKSA-N -1 3 366.399 1.698 20 5 FDBDHM CCCCN1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593537538 552126654 /nfs/dbraw/zinc/12/66/54/552126654.db2.gz DIJDMPPKZVGWQN-ZDUSSCGKSA-N -1 3 356.448 1.923 20 5 FDBDHM COc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593539354 552127012 /nfs/dbraw/zinc/12/70/12/552127012.db2.gz CWPHKIHTCLXTGR-LBPRGKRZSA-N -1 3 365.367 1.801 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@]3(CCSC3)C2)nc1 ZINC000593566179 552136625 /nfs/dbraw/zinc/13/66/25/552136625.db2.gz KNKIXECSXWLEHP-GXFFZTMASA-N -1 3 359.429 1.323 20 5 FDBDHM C[C@H](CN(C)Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593573636 552139898 /nfs/dbraw/zinc/13/98/98/552139898.db2.gz QUMFRNBCZWYCGM-CYBMUJFWSA-N -1 3 364.427 1.789 20 5 FDBDHM COc1ccc2c(c1)CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C2 ZINC000593575720 552140475 /nfs/dbraw/zinc/14/04/75/552140475.db2.gz NUGJLTVAKSUXSH-ZDUSSCGKSA-N -1 3 363.395 1.834 20 5 FDBDHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000593584452 552143628 /nfs/dbraw/zinc/14/36/28/552143628.db2.gz FZRXBQQRWMOBRP-BDAKNGLRSA-N -1 3 354.392 1.661 20 5 FDBDHM CO[C@@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593601174 552148753 /nfs/dbraw/zinc/14/87/53/552148753.db2.gz KZNJFMAVXGJCIN-HNNXBMFYSA-N -1 3 351.384 1.830 20 5 FDBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CCOCC1CC1 ZINC000594754562 552371485 /nfs/dbraw/zinc/37/14/85/552371485.db2.gz MGYFJLUVRZDUKS-UHFFFAOYSA-N -1 3 351.384 1.848 20 5 FDBDHM CCOC(=O)CC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594758489 552372977 /nfs/dbraw/zinc/37/29/77/552372977.db2.gz BZKYTQZRCDCETK-UHFFFAOYSA-N -1 3 353.356 1.375 20 5 FDBDHM CC[C@H](O)CCC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594757764 552373106 /nfs/dbraw/zinc/37/31/06/552373106.db2.gz JROOSHBBYDGSOZ-NSHDSACASA-N -1 3 353.400 1.972 20 5 FDBDHM C[C@H](C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])N(C)C1CC1 ZINC000594759711 552373187 /nfs/dbraw/zinc/37/31/87/552373187.db2.gz MPSLUGSGOOUIFB-LLVKDONJSA-N -1 3 364.427 1.904 20 5 FDBDHM C[C@@H]1CN(CCCC[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000594760563 552373953 /nfs/dbraw/zinc/37/39/53/552373953.db2.gz QYTARRNLVGRILN-BETUJISGSA-N -1 3 372.447 1.158 20 5 FDBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1CCO ZINC000594770506 552378470 /nfs/dbraw/zinc/37/84/70/552378470.db2.gz JFGJYNVSZCCAKT-AAEUAGOBSA-N -1 3 365.411 1.972 20 5 FDBDHM CC(C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594784305 552383379 /nfs/dbraw/zinc/38/33/79/552383379.db2.gz TXUCBOAYGFAZBZ-JTQLQIEISA-N -1 3 366.399 1.334 20 5 FDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCN1C(C)(C)C ZINC000594788947 552384957 /nfs/dbraw/zinc/38/49/57/552384957.db2.gz IMKYKTPGNCNKRD-GFCCVEGCSA-N -1 3 357.432 1.755 20 5 FDBDHM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCN(C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000594789792 552385584 /nfs/dbraw/zinc/38/55/84/552385584.db2.gz KTIMHXQAUMPZAT-NSHDSACASA-N -1 3 359.452 1.210 20 5 FDBDHM COC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C1CCOCC1 ZINC000594799052 552389035 /nfs/dbraw/zinc/38/90/35/552389035.db2.gz IBYYGWRRQGNUTD-LBPRGKRZSA-N -1 3 374.415 1.323 20 5 FDBDHM CO[C@@H](C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000594805378 552391867 /nfs/dbraw/zinc/39/18/67/552391867.db2.gz WQUJAKRHPBWHMC-JSGCOSHPSA-N -1 3 358.416 1.541 20 5 FDBDHM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000595392519 552547105 /nfs/dbraw/zinc/54/71/05/552547105.db2.gz NSYIMQAKPBDDAV-JTQLQIEISA-N -1 3 372.399 1.459 20 5 FDBDHM COc1cc(C[C@@H](CO)CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc(OC)c1 ZINC000596148614 552659974 /nfs/dbraw/zinc/65/99/74/552659974.db2.gz JRNUCAUFTXILRS-GFCCVEGCSA-N -1 3 363.370 1.976 20 5 FDBDHM O=C(CC(F)(F)F)NC[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596232769 552666830 /nfs/dbraw/zinc/66/68/30/552666830.db2.gz YYKDSCDVDGIIMM-VIFPVBQESA-N -1 3 362.308 1.980 20 5 FDBDHM COCCc1ccc(OC[C@@H](O)CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596311260 552673401 /nfs/dbraw/zinc/67/34/01/552673401.db2.gz OPKAQVPOUNJMTA-ZDUSSCGKSA-N -1 3 363.370 1.736 20 5 FDBDHM CC1(C)C[C@]1(C)NC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000596311927 552673615 /nfs/dbraw/zinc/67/36/15/552673615.db2.gz KBKGKEZXZSVIGW-HNNXBMFYSA-N -1 3 370.431 1.361 20 5 FDBDHM O=C(NCCCc1cc(=O)[nH][n-]1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000597664536 552819132 /nfs/dbraw/zinc/81/91/32/552819132.db2.gz 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/nfs/dbraw/zinc/37/22/68/552372268.db2.gz GVXXSRQAEBAGFC-JTQLQIEISA-N -1 3 371.440 1.535 20 5 FDBDHM C[C@H](C[S@@](C)=O)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594772122 552378801 /nfs/dbraw/zinc/37/88/01/552378801.db2.gz KENFBBAGGRLLAI-PVBMHHQDSA-N -1 3 357.413 1.188 20 5 FDBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCN(C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000594799990 552389476 /nfs/dbraw/zinc/38/94/76/552389476.db2.gz AALCLDVYTXKNMM-LLVKDONJSA-N -1 3 357.432 1.755 20 5 FDBDHM CO[C@@H]1CCC[C@H]([C@H](CO)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000594808043 552393061 /nfs/dbraw/zinc/39/30/61/552393061.db2.gz JMECXQFMVCTARN-XQQFMLRXSA-N -1 3 358.416 1.439 20 5 FDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCN1C[C@@H](C)OC[C@H]1C ZINC000594817425 552396642 /nfs/dbraw/zinc/39/66/42/552396642.db2.gz QZNJCFJTAOBFES-CHWSQXEVSA-N -1 3 357.432 1.291 20 5 FDBDHM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000594861094 552412124 /nfs/dbraw/zinc/41/21/24/552412124.db2.gz BCBSECMAPQUEJM-CYBMUJFWSA-N -1 3 364.351 1.173 20 5 FDBDHM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000594863707 552413456 /nfs/dbraw/zinc/41/34/56/552413456.db2.gz QTMRUPPUJKALBO-CYBMUJFWSA-N -1 3 364.351 1.173 20 5 FDBDHM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000594866778 552415300 /nfs/dbraw/zinc/41/53/00/552415300.db2.gz QWWLKXQCPLAPII-LLVKDONJSA-N -1 3 354.381 1.534 20 5 FDBDHM Cc1cncc(CC[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n1 ZINC000594871745 552417409 /nfs/dbraw/zinc/41/74/09/552417409.db2.gz RNIIBXNJTSMBAJ-UHFFFAOYSA-N -1 3 350.400 1.831 20 5 FDBDHM O=c1[n-]c(=O)n(Cc2cccc([N+](=O)[O-])c2)cc1I ZINC000594900836 552422577 /nfs/dbraw/zinc/42/25/77/552422577.db2.gz DSRSEQZKRIGDDL-UHFFFAOYSA-N -1 3 373.106 1.510 20 5 FDBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H]1C(F)(F)F ZINC000597666986 552819344 /nfs/dbraw/zinc/81/93/44/552819344.db2.gz UXJHZXXASDSGRZ-JTQLQIEISA-N -1 3 367.305 1.036 20 5 FDBDHM 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ZINC000599391127 553043493 /nfs/dbraw/zinc/04/34/93/553043493.db2.gz MVJYHKWTYKCFOE-ZDUSSCGKSA-N -1 3 354.432 1.675 20 5 FDBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@]12C[C@@H]1COC2(C)C ZINC000599395640 553044558 /nfs/dbraw/zinc/04/45/58/553044558.db2.gz CGYPQSBMVJGLFQ-PSLIRLAXSA-N -1 3 370.383 1.227 20 5 FDBDHM CC(C)(C(=O)[O-])N1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000600876153 553323561 /nfs/dbraw/zinc/32/35/61/553323561.db2.gz SJQOWAQVAMTYOM-UHFFFAOYSA-N -1 3 364.402 1.404 20 5 FDBDHM CNC(=O)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000609203462 554349728 /nfs/dbraw/zinc/34/97/28/554349728.db2.gz DXONWWFQWDKPIR-UHFFFAOYSA-N -1 3 360.326 1.463 20 5 FDBDHM COCCN1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000609279123 554358296 /nfs/dbraw/zinc/35/82/96/554358296.db2.gz HTQGDINDSFFCGO-NSHDSACASA-N -1 3 361.395 1.123 20 5 FDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](CO)c1cc(F)ccc1F ZINC000611019687 554595107 /nfs/dbraw/zinc/59/51/07/554595107.db2.gz 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COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@]1(C)CCO[C@H]1C1CC1 ZINC000619496535 555789445 /nfs/dbraw/zinc/78/94/45/555789445.db2.gz NGUQPFRXIXJTCZ-LSDHHAIUSA-N -1 3 356.400 1.839 20 5 FDBDHM C/C=C/C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(=O)OCC ZINC000619496972 555789549 /nfs/dbraw/zinc/78/95/49/555789549.db2.gz NASHDNANYNNRIW-DUMNWFOQSA-N -1 3 372.399 1.780 20 5 FDBDHM COC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)[C@@H]1CCCO1 ZINC000619500269 555790615 /nfs/dbraw/zinc/79/06/15/555790615.db2.gz DYJGLPPWOFWLAO-JQWIXIFHSA-N -1 3 360.388 1.076 20 5 FDBDHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)Cn2ccnc2C)c([N+](=O)[O-])c1 ZINC000481446816 567947830 /nfs/dbraw/zinc/94/78/30/567947830.db2.gz ACRANNLSWSWDIH-NSHDSACASA-N -1 3 368.415 1.723 20 5 FDBDHM Cc1ccc([N+](=O)[O-])c(NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)n1 ZINC000481678253 568085736 /nfs/dbraw/zinc/08/57/36/568085736.db2.gz OGVRIAZYDVESKT-QGZVFWFLSA-N -1 3 355.354 1.965 20 5 FDBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)n1ncc(-c2nnn[n-]2)c1N 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/nfs/dbraw/zinc/25/25/53/599252553.db2.gz WDDAFYGSKNPKQV-NXEZZACHSA-N -1 3 355.358 1.937 20 5 FDBDHM Cc1nc(C)n([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)n1 ZINC000737473493 598339917 /nfs/dbraw/zinc/33/99/17/598339917.db2.gz IQNMCBDIJDSZOB-CYBMUJFWSA-N -1 3 369.389 1.825 20 5 FDBDHM Cc1nc(C)n([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)n1 ZINC000737473493 598339919 /nfs/dbraw/zinc/33/99/19/598339919.db2.gz IQNMCBDIJDSZOB-CYBMUJFWSA-N -1 3 369.389 1.825 20 5 FDBDHM CCn1cnnc1C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736721161 598501900 /nfs/dbraw/zinc/50/19/00/598501900.db2.gz BCACRVBZBREUSV-UHFFFAOYSA-N -1 3 370.377 1.165 20 5 FDBDHM CCn1cnnc1C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736721161 598501901 /nfs/dbraw/zinc/50/19/01/598501901.db2.gz BCACRVBZBREUSV-UHFFFAOYSA-N -1 3 370.377 1.165 20 5 FDBDHM O=C1CCCCN1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000738302326 598774054 /nfs/dbraw/zinc/77/40/54/598774054.db2.gz JNZUQHWEKYLSKB-CYBMUJFWSA-N 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C[C@@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCCO1 ZINC000820767123 599520643 /nfs/dbraw/zinc/52/06/43/599520643.db2.gz GKQRIXSXPXEMQQ-SNVBAGLBSA-N -1 3 355.358 1.938 20 5 FDBDHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCCO1 ZINC000820767123 599520644 /nfs/dbraw/zinc/52/06/44/599520644.db2.gz GKQRIXSXPXEMQQ-SNVBAGLBSA-N -1 3 355.358 1.938 20 5 FDBDHM Cc1cc([C@](C)(O)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(C)o1 ZINC000822190856 599576996 /nfs/dbraw/zinc/57/69/96/599576996.db2.gz COSPXCKKLHLHSK-OAHLLOKOSA-N -1 3 359.346 1.699 20 5 FDBDHM Cc1cc([C@](C)(O)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(C)o1 ZINC000822190856 599576997 /nfs/dbraw/zinc/57/69/97/599576997.db2.gz COSPXCKKLHLHSK-OAHLLOKOSA-N -1 3 359.346 1.699 20 5 FDBDHM COC[C@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000821684931 599584930 /nfs/dbraw/zinc/58/49/30/599584930.db2.gz OVFLSVWJQLSLIG-LLVKDONJSA-N -1 3 371.357 1.175 20 5 FDBDHM COC[C@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000821684931 599584933 /nfs/dbraw/zinc/58/49/33/599584933.db2.gz OVFLSVWJQLSLIG-LLVKDONJSA-N -1 3 371.357 1.175 20 5 FDBDHM C[C@@H](NC(=O)c1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655519 599854239 /nfs/dbraw/zinc/85/42/39/599854239.db2.gz DUQITCRUUGVCIY-GFCCVEGCSA-N -1 3 364.402 1.696 20 5 FDBDHM CC(C)[C@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)N1CCOCC1 ZINC000824192878 607449244 /nfs/dbraw/zinc/44/92/44/607449244.db2.gz NZCCHAUDYJAMPE-HNNXBMFYSA-N -1 3 361.406 1.544 20 5 FDBDHM O=[N+]([O-])c1ccc2nc(N(CCO)CC3CC3)cc(-c3nnn[n-]3)c2c1 ZINC000826499755 607521264 /nfs/dbraw/zinc/52/12/64/607521264.db2.gz VWVLOVWIDQWHAE-UHFFFAOYSA-N -1 3 355.358 1.532 20 5 FDBDHM O=[N+]([O-])c1ccc2nc(N(CCO)CC3CC3)cc(-c3nn[n-]n3)c2c1 ZINC000826499755 607521265 /nfs/dbraw/zinc/52/12/65/607521265.db2.gz VWVLOVWIDQWHAE-UHFFFAOYSA-N -1 3 355.358 1.532 20 5 FDBDHM Cc1cccc(S(=O)(=O)NCc2cccc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000826303628 607599537 /nfs/dbraw/zinc/59/95/37/607599537.db2.gz 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O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000823657502 606332068 /nfs/dbraw/zinc/33/20/68/606332068.db2.gz QESOCAOTYUNCBD-UHFFFAOYSA-N -1 3 350.697 1.777 20 5 FDBDHM CCNC(=O)[C@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821277807 606448531 /nfs/dbraw/zinc/44/85/31/606448531.db2.gz ZPDDMHFUKRDMAO-QMMMGPOBSA-N -1 3 356.346 1.260 20 5 FDBDHM CCNC(=O)[C@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821277807 606448533 /nfs/dbraw/zinc/44/85/33/606448533.db2.gz ZPDDMHFUKRDMAO-QMMMGPOBSA-N -1 3 356.346 1.260 20 5 FDBDHM O=c1c([N+](=O)[O-])cccn1Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000823656351 606591643 /nfs/dbraw/zinc/59/16/43/606591643.db2.gz BVRBGXMRRILFHH-UHFFFAOYSA-N -1 3 364.268 1.586 20 5 FDBDHM O=c1c([N+](=O)[O-])cccn1Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000823656351 606591646 /nfs/dbraw/zinc/59/16/46/606591646.db2.gz BVRBGXMRRILFHH-UHFFFAOYSA-N -1 3 364.268 1.586 20 5 FDBDHM CN(c1cccc(-c2nnn[n-]2)c1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000821619022 606747960 /nfs/dbraw/zinc/74/79/60/606747960.db2.gz GFFQUTFRSQKFTA-UHFFFAOYSA-N -1 3 374.382 1.741 20 5 FDBDHM CN(c1cccc(-c2nn[n-]n2)c1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000821619022 606747961 /nfs/dbraw/zinc/74/79/61/606747961.db2.gz GFFQUTFRSQKFTA-UHFFFAOYSA-N -1 3 374.382 1.741 20 5 FDBDHM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820734872 606803207 /nfs/dbraw/zinc/80/32/07/606803207.db2.gz OXXBLSJIZHRDJX-NOZJJQNGSA-N -1 3 372.389 1.229 20 5 FDBDHM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820734872 606803208 /nfs/dbraw/zinc/80/32/08/606803208.db2.gz OXXBLSJIZHRDJX-NOZJJQNGSA-N -1 3 372.389 1.229 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000823643811 607145268 /nfs/dbraw/zinc/14/52/68/607145268.db2.gz BTGBXMDXBZKJLF-UHFFFAOYSA-N -1 3 365.302 1.682 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000823643811 607145270 /nfs/dbraw/zinc/14/52/70/607145270.db2.gz BTGBXMDXBZKJLF-UHFFFAOYSA-N -1 3 365.302 1.682 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000826497853 607821016 /nfs/dbraw/zinc/82/10/16/607821016.db2.gz WQZDEUQZXDBOTG-CJNGLKHVSA-N -1 3 370.369 1.671 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000826497853 607821017 /nfs/dbraw/zinc/82/10/17/607821017.db2.gz WQZDEUQZXDBOTG-CJNGLKHVSA-N -1 3 370.369 1.671 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CCN(c3cnccc3-c3nnn[n-]3)CC2)cc1 ZINC000826499076 607838343 /nfs/dbraw/zinc/83/83/43/607838343.db2.gz UXADRVANSGFKAA-UHFFFAOYSA-N -1 3 352.358 1.497 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CCN(c3cnccc3-c3nn[n-]n3)CC2)cc1 ZINC000826499076 607838344 /nfs/dbraw/zinc/83/83/44/607838344.db2.gz UXADRVANSGFKAA-UHFFFAOYSA-N -1 3 352.358 1.497 20 5 FDBDHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826471976 607956961 /nfs/dbraw/zinc/95/69/61/607956961.db2.gz SWVWDNVMJWBULN-UHFFFAOYSA-N -1 3 350.338 1.973 20 5 FDBDHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826471976 607956962 /nfs/dbraw/zinc/95/69/62/607956962.db2.gz SWVWDNVMJWBULN-UHFFFAOYSA-N -1 3 350.338 1.973 20 5 FDBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000826417116 608124473 /nfs/dbraw/zinc/12/44/73/608124473.db2.gz FATLMBUUOWBIHU-UHFFFAOYSA-N -1 3 366.337 1.743 20 5 FDBDHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)n1cncn1 ZINC000824045384 608162425 /nfs/dbraw/zinc/16/24/25/608162425.db2.gz LVUYRPMVPIEJRZ-LURJTMIESA-N -1 3 363.725 1.220 20 5 FDBDHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)n1cncn1 ZINC000824045384 608162427 /nfs/dbraw/zinc/16/24/27/608162427.db2.gz LVUYRPMVPIEJRZ-LURJTMIESA-N -1 3 363.725 1.220 20 5 FDBDHM O=C(C[C@H]1COC(=O)C1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826404678 608163769 /nfs/dbraw/zinc/16/37/69/608163769.db2.gz IPGNTGVDKRYCMD-ZCFIWIBFSA-N -1 3 366.721 1.320 20 5 FDBDHM O=C(C[C@H]1COC(=O)C1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl 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BBQGIVXNUGZABR-UHFFFAOYSA-N -1 3 365.357 1.693 20 5 FDBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000825971437 608657918 /nfs/dbraw/zinc/65/79/18/608657918.db2.gz GMHHHPNWHYCQPC-UHFFFAOYSA-N -1 3 354.330 1.256 20 5 FDBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000825971437 608657919 /nfs/dbraw/zinc/65/79/19/608657919.db2.gz GMHHHPNWHYCQPC-UHFFFAOYSA-N -1 3 354.330 1.256 20 5 FDBDHM Cc1ccc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000826290479 609181847 /nfs/dbraw/zinc/18/18/47/609181847.db2.gz NWTCGCCORGCCMJ-CQSZACIVSA-N -1 3 354.326 1.755 20 5 FDBDHM Cc1ccc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826290479 609181849 /nfs/dbraw/zinc/18/18/49/609181849.db2.gz NWTCGCCORGCCMJ-CQSZACIVSA-N -1 3 354.326 1.755 20 5 FDBDHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826469748 609190041 /nfs/dbraw/zinc/19/00/41/609190041.db2.gz QGFIZBBTOONGNL-UHFFFAOYSA-N -1 3 368.357 1.065 20 5 FDBDHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826469748 609190042 /nfs/dbraw/zinc/19/00/42/609190042.db2.gz QGFIZBBTOONGNL-UHFFFAOYSA-N -1 3 368.357 1.065 20 5 FDBDHM C[C@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824470228 609261010 /nfs/dbraw/zinc/26/10/10/609261010.db2.gz GPBULUHKWZTROG-ZUZCIYMTSA-N -1 3 368.353 1.686 20 5 FDBDHM C[C@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824470228 609261012 /nfs/dbraw/zinc/26/10/12/609261012.db2.gz GPBULUHKWZTROG-ZUZCIYMTSA-N -1 3 368.353 1.686 20 5 FDBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cn1 ZINC000826439455 609330047 /nfs/dbraw/zinc/33/00/47/609330047.db2.gz VXRRFMNIXJEFKC-UHFFFAOYSA-N -1 3 373.760 1.796 20 5 FDBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cn1 ZINC000826439455 609330049 /nfs/dbraw/zinc/33/00/49/609330049.db2.gz VXRRFMNIXJEFKC-UHFFFAOYSA-N -1 3 373.760 1.796 20 5 FDBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489452025 609426695 /nfs/dbraw/zinc/42/66/95/609426695.db2.gz LOIUZWZYVOHGRZ-UHFFFAOYSA-N -1 3 368.309 1.434 20 5 FDBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489452025 609426697 /nfs/dbraw/zinc/42/66/97/609426697.db2.gz LOIUZWZYVOHGRZ-UHFFFAOYSA-N -1 3 368.309 1.434 20 5 FDBDHM O=[N+]([O-])c1cccc(OS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826499709 609512422 /nfs/dbraw/zinc/51/24/22/609512422.db2.gz UATCTMYBMMELJY-UHFFFAOYSA-N -1 3 361.339 1.684 20 5 FDBDHM O=[N+]([O-])c1cccc(OS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826499709 609512424 /nfs/dbraw/zinc/51/24/24/609512424.db2.gz UATCTMYBMMELJY-UHFFFAOYSA-N -1 3 361.339 1.684 20 5 FDBDHM CC[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000157909335 671974527 /nfs/dbraw/zinc/97/45/27/671974527.db2.gz MYNWPBXABLKONF-ZETCQYMHSA-N -1 3 353.194 1.407 20 5 FDBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCCOC2)c1 ZINC000173123598 672076990 /nfs/dbraw/zinc/07/69/90/672076990.db2.gz 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554351459 /nfs/dbraw/zinc/35/14/59/554351459.db2.gz LNRFTHOJPZAOAS-UHFFFAOYSA-N -1 3 364.383 1.605 20 5 FDBDHM CCCCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610262267 554483521 /nfs/dbraw/zinc/48/35/21/554483521.db2.gz GQGCAYFDOXNEKL-CYBMUJFWSA-N -1 3 356.448 1.923 20 5 FDBDHM CC(C)c1nc(S(=O)(=O)[N-]CCNc2ccccc2[N+](=O)[O-])c[nH]1 ZINC000610469781 554513539 /nfs/dbraw/zinc/51/35/39/554513539.db2.gz GNDMADAYSFZUSC-UHFFFAOYSA-N -1 3 353.404 1.832 20 5 FDBDHM CCOc1cccc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000610759124 554558734 /nfs/dbraw/zinc/55/87/34/554558734.db2.gz PUMYSMAJNYXDFX-UHFFFAOYSA-N -1 3 351.384 1.910 20 5 FDBDHM COCCN1CCC[C@@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000610800482 554563653 /nfs/dbraw/zinc/56/36/53/554563653.db2.gz BNLBZAFYNIZFQJ-CQSZACIVSA-N -1 3 371.459 1.601 20 5 FDBDHM Cc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)ncn1 ZINC000613351109 554916318 /nfs/dbraw/zinc/91/63/18/554916318.db2.gz ZBLCNUVJFXIWNP-UHFFFAOYSA-N -1 3 359.367 1.720 20 5 FDBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000618348803 555620953 /nfs/dbraw/zinc/62/09/53/555620953.db2.gz NVVNEBDQNBOEHQ-ZDUSSCGKSA-N -1 3 350.375 1.022 20 5 FDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](CO)C1CCCCC1 ZINC000619488471 555786952 /nfs/dbraw/zinc/78/69/52/555786952.db2.gz FALLQXAVSCKVQI-GFCCVEGCSA-N -1 3 358.416 1.823 20 5 FDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000619493355 555788310 /nfs/dbraw/zinc/78/83/10/555788310.db2.gz AYEHZVXFNZAASS-KMUNFCNLSA-N -1 3 368.411 1.839 20 5 FDBDHM CCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619496665 555789555 /nfs/dbraw/zinc/78/95/55/555789555.db2.gz ACYOAPIVUSIXLV-JQWIXIFHSA-N -1 3 360.388 1.076 20 5 FDBDHM Cn1cc(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[n-]c1=O ZINC000452874646 567869868 /nfs/dbraw/zinc/86/98/68/567869868.db2.gz KQGOQWUHWKIZNE-GFCCVEGCSA-N -1 3 358.354 1.414 20 5 FDBDHM COC(=O)[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])CC2 ZINC000736907795 598871901 /nfs/dbraw/zinc/87/19/01/598871901.db2.gz JXBCSLMIHAOYCL-LLVKDONJSA-N -1 3 358.358 1.554 20 5 FDBDHM COC(=O)[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])CC2 ZINC000736907795 598871902 /nfs/dbraw/zinc/87/19/02/598871902.db2.gz JXBCSLMIHAOYCL-LLVKDONJSA-N -1 3 358.358 1.554 20 5 FDBDHM CCCc1[nH]nc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000736498013 598964305 /nfs/dbraw/zinc/96/43/05/598964305.db2.gz NMVNHEDLFXRNAA-UHFFFAOYSA-N -1 3 360.309 1.842 20 5 FDBDHM CCCc1[nH]nc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000736498013 598964306 /nfs/dbraw/zinc/96/43/06/598964306.db2.gz NMVNHEDLFXRNAA-UHFFFAOYSA-N -1 3 360.309 1.842 20 5 FDBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc([N+](=O)[O-])cc1F ZINC000823241703 599179915 /nfs/dbraw/zinc/17/99/15/599179915.db2.gz CSLXKPOVSOAQJD-UHFFFAOYSA-N -1 3 360.280 1.983 20 5 FDBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc([N+](=O)[O-])cc1F ZINC000823241703 599179917 /nfs/dbraw/zinc/17/99/17/599179917.db2.gz CSLXKPOVSOAQJD-UHFFFAOYSA-N -1 3 360.280 1.983 20 5 FDBDHM Cc1cccc(C)c1NC(=O)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822293692 599195917 /nfs/dbraw/zinc/19/59/17/599195917.db2.gz IFKULVHMGBYCBP-UHFFFAOYSA-N -1 3 368.357 1.837 20 5 FDBDHM Cc1cccc(C)c1NC(=O)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822293692 599195918 /nfs/dbraw/zinc/19/59/18/599195918.db2.gz IFKULVHMGBYCBP-UHFFFAOYSA-N -1 3 368.357 1.837 20 5 FDBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H](CO)C3)cc(-c3nnn[n-]3)c2c1 ZINC000738367223 599254148 /nfs/dbraw/zinc/25/41/48/599254148.db2.gz NYZVENUKVXVGDW-JTQLQIEISA-N -1 3 355.358 1.532 20 5 FDBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H](CO)C3)cc(-c3nn[n-]n3)c2c1 ZINC000738367223 599254151 /nfs/dbraw/zinc/25/41/51/599254151.db2.gz NYZVENUKVXVGDW-JTQLQIEISA-N -1 3 355.358 1.532 20 5 FDBDHM Cc1ccc([N+](=O)[O-])c(=O)n1Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822271023 607304743 /nfs/dbraw/zinc/30/47/43/607304743.db2.gz IWECMMVPKJNUON-UHFFFAOYSA-N -1 3 351.326 1.546 20 5 FDBDHM Cc1ccc([N+](=O)[O-])c(=O)n1Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000822271023 607304744 /nfs/dbraw/zinc/30/47/44/607304744.db2.gz IWECMMVPKJNUON-UHFFFAOYSA-N -1 3 351.326 1.546 20 5 FDBDHM O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000823634466 607332409 /nfs/dbraw/zinc/33/24/09/607332409.db2.gz GKYBZUNHKIOTRI-UHFFFAOYSA-N -1 3 365.302 1.682 20 5 FDBDHM O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000823634466 607332410 /nfs/dbraw/zinc/33/24/10/607332410.db2.gz GKYBZUNHKIOTRI-UHFFFAOYSA-N -1 3 365.302 1.682 20 5 FDBDHM CCn1cnnc1C1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000736723353 598338690 /nfs/dbraw/zinc/33/86/90/598338690.db2.gz XRDFDAWGKFHOIS-UHFFFAOYSA-N -1 3 369.389 1.770 20 5 FDBDHM CCn1cnnc1C1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000736723353 598338692 /nfs/dbraw/zinc/33/86/92/598338692.db2.gz XRDFDAWGKFHOIS-UHFFFAOYSA-N -1 3 369.389 1.770 20 5 FDBDHM O=C(COc1ccc(F)cc1[N+](=O)[O-])NCc1cccc(-c2nnn[n-]2)c1 ZINC000737918919 598364016 /nfs/dbraw/zinc/36/40/16/598364016.db2.gz CLCLLTDOMADVSR-UHFFFAOYSA-N -1 3 372.316 1.609 20 5 FDBDHM O=C(COc1ccc(F)cc1[N+](=O)[O-])NCc1cccc(-c2nn[n-]n2)c1 ZINC000737918919 598364017 /nfs/dbraw/zinc/36/40/17/598364017.db2.gz CLCLLTDOMADVSR-UHFFFAOYSA-N -1 3 372.316 1.609 20 5 FDBDHM O=[N+]([O-])c1cnccc1N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000738374319 598456976 /nfs/dbraw/zinc/45/69/76/598456976.db2.gz NVBJXPVPXDINIJ-UHFFFAOYSA-N -1 3 370.348 1.636 20 5 FDBDHM O=[N+]([O-])c1cnccc1N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000738374319 598456978 /nfs/dbraw/zinc/45/69/78/598456978.db2.gz NVBJXPVPXDINIJ-UHFFFAOYSA-N -1 3 370.348 1.636 20 5 FDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737486776 598483622 /nfs/dbraw/zinc/48/36/22/598483622.db2.gz DMVBCXDVCFCIQV-SECBINFHSA-N -1 3 357.330 1.584 20 5 FDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737486776 598483624 /nfs/dbraw/zinc/48/36/24/598483624.db2.gz DMVBCXDVCFCIQV-SECBINFHSA-N -1 3 357.330 1.584 20 5 FDBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000736136868 598498551 /nfs/dbraw/zinc/49/85/51/598498551.db2.gz IXQRNQYLJPXDTB-SSDOTTSWSA-N -1 3 367.329 1.925 20 5 FDBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000736136868 598498553 /nfs/dbraw/zinc/49/85/53/598498553.db2.gz IXQRNQYLJPXDTB-SSDOTTSWSA-N -1 3 367.329 1.925 20 5 FDBDHM Cc1cccc(OC[C@H](O)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737402634 598499419 /nfs/dbraw/zinc/49/94/19/598499419.db2.gz XSYHMBAYLWHDRV-GFCCVEGCSA-N -1 3 371.357 1.330 20 5 FDBDHM Cc1cccc(OC[C@H](O)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737402634 598499421 /nfs/dbraw/zinc/49/94/21/598499421.db2.gz XSYHMBAYLWHDRV-GFCCVEGCSA-N -1 3 371.357 1.330 20 5 FDBDHM CN(CC(=O)NCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736784101 599532277 /nfs/dbraw/zinc/53/22/77/599532277.db2.gz QMJMARZAWVWUHL-UHFFFAOYSA-N -1 3 367.369 1.528 20 5 FDBDHM CN(CC(=O)NCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736784101 599532279 /nfs/dbraw/zinc/53/22/79/599532279.db2.gz QMJMARZAWVWUHL-UHFFFAOYSA-N -1 3 367.369 1.528 20 5 FDBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000737920177 599546473 /nfs/dbraw/zinc/54/64/73/599546473.db2.gz RISRVXICSAFXFC-UHFFFAOYSA-N -1 3 366.337 1.743 20 5 FDBDHM CC[S@@](=O)CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821447754 599546610 /nfs/dbraw/zinc/54/66/10/599546610.db2.gz KPTZOXIOINTNSV-RUZDIDTESA-N -1 3 361.387 1.504 20 5 FDBDHM CC[S@@](=O)CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821447754 599546612 /nfs/dbraw/zinc/54/66/12/599546612.db2.gz KPTZOXIOINTNSV-RUZDIDTESA-N -1 3 361.387 1.504 20 5 FDBDHM CN1C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCC1=O ZINC000821621720 599565769 /nfs/dbraw/zinc/56/57/69/599565769.db2.gz CXABPGYHZBAHSH-SECBINFHSA-N -1 3 368.357 1.356 20 5 FDBDHM CN1C[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCC1=O ZINC000821621720 599565771 /nfs/dbraw/zinc/56/57/71/599565771.db2.gz CXABPGYHZBAHSH-SECBINFHSA-N -1 3 368.357 1.356 20 5 FDBDHM CCN1CCC[C@H](Nc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737114926 600432676 /nfs/dbraw/zinc/43/26/76/600432676.db2.gz MRNSZJJNLXEQQZ-AAEUAGOBSA-N -1 3 364.402 1.694 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccccn3)CC2)cc1-c1nnn[n-]1 ZINC000826498576 607449041 /nfs/dbraw/zinc/44/90/41/607449041.db2.gz BEBFZPXMZHUQNQ-UHFFFAOYSA-N -1 3 352.358 1.497 20 5 FDBDHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)n(C)n1 ZINC000826260249 607466375 /nfs/dbraw/zinc/46/63/75/607466375.db2.gz CXQRHKAVGUFGCH-UHFFFAOYSA-N -1 3 362.737 1.723 20 5 FDBDHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)n(C)n1 ZINC000826260249 607466378 /nfs/dbraw/zinc/46/63/78/607466378.db2.gz CXQRHKAVGUFGCH-UHFFFAOYSA-N -1 3 362.737 1.723 20 5 FDBDHM O=C([O-])[C@@]1(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCCN(Cc2ccccc2)C1 ZINC000833129295 601730669 /nfs/dbraw/zinc/73/06/69/601730669.db2.gz 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Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000822213137 606136240 /nfs/dbraw/zinc/13/62/40/606136240.db2.gz WHGSLFYEPLMESH-UHFFFAOYSA-N -1 3 366.385 1.805 20 5 FDBDHM Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000822213137 606136241 /nfs/dbraw/zinc/13/62/41/606136241.db2.gz WHGSLFYEPLMESH-UHFFFAOYSA-N -1 3 366.385 1.805 20 5 FDBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000822638021 606257108 /nfs/dbraw/zinc/25/71/08/606257108.db2.gz WOOFAOGRGKYGHC-UHFFFAOYSA-N -1 3 369.385 1.866 20 5 FDBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000822638021 606257112 /nfs/dbraw/zinc/25/71/12/606257112.db2.gz WOOFAOGRGKYGHC-UHFFFAOYSA-N -1 3 369.385 1.866 20 5 FDBDHM CN(CC(F)F)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000821595052 606482805 /nfs/dbraw/zinc/48/28/05/606482805.db2.gz LHOFKDQFGLZOEC-UHFFFAOYSA-N -1 3 367.360 1.941 20 5 FDBDHM CN(CC(F)F)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000821595052 606482807 /nfs/dbraw/zinc/48/28/07/606482807.db2.gz LHOFKDQFGLZOEC-UHFFFAOYSA-N -1 3 367.360 1.941 20 5 FDBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821845244 606495366 /nfs/dbraw/zinc/49/53/66/606495366.db2.gz DMWIQBSMUHRJSF-UHFFFAOYSA-N -1 3 354.326 1.965 20 5 FDBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821845244 606495368 /nfs/dbraw/zinc/49/53/68/606495368.db2.gz DMWIQBSMUHRJSF-UHFFFAOYSA-N -1 3 354.326 1.965 20 5 FDBDHM CCc1nc2n(n1)CCC[C@@H]2Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821518567 606729061 /nfs/dbraw/zinc/72/90/61/606729061.db2.gz ZXIXFIYDJYJOMS-LBPRGKRZSA-N -1 3 355.362 1.876 20 5 FDBDHM CCc1nc2n(n1)CCC[C@@H]2Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821518567 606729062 /nfs/dbraw/zinc/72/90/62/606729062.db2.gz ZXIXFIYDJYJOMS-LBPRGKRZSA-N -1 3 355.362 1.876 20 5 FDBDHM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820735839 606803666 /nfs/dbraw/zinc/80/36/66/606803666.db2.gz VBNNGHKXWBHEBZ-GWCFXTLKSA-N -1 3 371.401 1.834 20 5 FDBDHM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820735839 606803667 /nfs/dbraw/zinc/80/36/67/606803667.db2.gz VBNNGHKXWBHEBZ-GWCFXTLKSA-N -1 3 371.401 1.834 20 5 FDBDHM Cc1ccc([N+](=O)[O-])c(N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)n1 ZINC000822271354 607024662 /nfs/dbraw/zinc/02/46/62/607024662.db2.gz YCKXBFFSHIALDH-UHFFFAOYSA-N -1 3 358.387 1.685 20 5 FDBDHM Cc1ccc([N+](=O)[O-])c(N2CCc3c(sc(N)c3-c3nn[n-]n3)C2)n1 ZINC000822271354 607024664 /nfs/dbraw/zinc/02/46/64/607024664.db2.gz YCKXBFFSHIALDH-UHFFFAOYSA-N -1 3 358.387 1.685 20 5 FDBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1nnc2n1CCCC2 ZINC000820461434 607027996 /nfs/dbraw/zinc/02/79/96/607027996.db2.gz JWHDFCQDGLLXFC-VIFPVBQESA-N -1 3 355.362 1.876 20 5 FDBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1nnc2n1CCCC2 ZINC000820461434 607027997 /nfs/dbraw/zinc/02/79/97/607027997.db2.gz JWHDFCQDGLLXFC-VIFPVBQESA-N -1 3 355.362 1.876 20 5 FDBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1nnc2n1CCCC2 ZINC000820461433 607028028 /nfs/dbraw/zinc/02/80/28/607028028.db2.gz JWHDFCQDGLLXFC-SECBINFHSA-N -1 3 355.362 1.876 20 5 FDBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1nnc2n1CCCC2 ZINC000820461433 607028030 /nfs/dbraw/zinc/02/80/30/607028030.db2.gz JWHDFCQDGLLXFC-SECBINFHSA-N -1 3 355.362 1.876 20 5 FDBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCN(c3ccccn3)C2)c(-c2nnn[n-]2)c1 ZINC000826500583 607810709 /nfs/dbraw/zinc/81/07/09/607810709.db2.gz CTNVRUKCBDUQHK-SNVBAGLBSA-N -1 3 353.346 1.256 20 5 FDBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCN(c3ccccn3)C2)c(-c2nn[n-]n2)c1 ZINC000826500583 607810710 /nfs/dbraw/zinc/81/07/10/607810710.db2.gz CTNVRUKCBDUQHK-SNVBAGLBSA-N -1 3 353.346 1.256 20 5 FDBDHM O=[N+]([O-])c1cc(N2CCO[C@H](c3nccs3)C2)ccc1-c1nnn[n-]1 ZINC000826498063 607841337 /nfs/dbraw/zinc/84/13/37/607841337.db2.gz GJRWMWNICAMFAC-LBPRGKRZSA-N -1 3 359.371 1.809 20 5 FDBDHM Cc1cccc(OS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000826300432 607867139 /nfs/dbraw/zinc/86/71/39/607867139.db2.gz UYQVLYJUFGZCAY-UHFFFAOYSA-N -1 3 361.339 1.851 20 5 FDBDHM Cc1cccc(OS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000826300432 607867140 /nfs/dbraw/zinc/86/71/40/607867140.db2.gz UYQVLYJUFGZCAY-UHFFFAOYSA-N -1 3 361.339 1.851 20 5 FDBDHM CC[C@H]1CN(C(C)=O)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825210291 607904377 /nfs/dbraw/zinc/90/43/77/607904377.db2.gz GCPZKWGGKCXFIC-AAEUAGOBSA-N -1 3 359.390 1.834 20 5 FDBDHM CC[C@H]1CN(C(C)=O)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825210291 607904378 /nfs/dbraw/zinc/90/43/78/607904378.db2.gz GCPZKWGGKCXFIC-AAEUAGOBSA-N -1 3 359.390 1.834 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000826498667 608052947 /nfs/dbraw/zinc/05/29/47/608052947.db2.gz FAIFLVBGTXVIAW-AWEZNQCLSA-N -1 3 353.342 1.748 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000826498667 608052948 /nfs/dbraw/zinc/05/29/48/608052948.db2.gz 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COc1ccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)cc1-c1nn[n-]n1 ZINC000826203699 608435454 /nfs/dbraw/zinc/43/54/54/608435454.db2.gz BYRUUNFKXRGSHJ-UHFFFAOYSA-N -1 3 367.329 1.438 20 5 FDBDHM Nc1nc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)ncc1[N+](=O)[O-] ZINC000826396061 608442378 /nfs/dbraw/zinc/44/23/78/608442378.db2.gz FGYAYORSIKZAKG-UHFFFAOYSA-N -1 3 365.357 1.441 20 5 FDBDHM Nc1nc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)ncc1[N+](=O)[O-] ZINC000826396061 608442379 /nfs/dbraw/zinc/44/23/79/608442379.db2.gz FGYAYORSIKZAKG-UHFFFAOYSA-N -1 3 365.357 1.441 20 5 FDBDHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000826469507 609188591 /nfs/dbraw/zinc/18/85/91/609188591.db2.gz JFWLTAIKZAKSIN-UHFFFAOYSA-N -1 3 368.357 1.065 20 5 FDBDHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000826469507 609188592 /nfs/dbraw/zinc/18/85/92/609188592.db2.gz JFWLTAIKZAKSIN-UHFFFAOYSA-N -1 3 368.357 1.065 20 5 FDBDHM O=[N+]([O-])c1cn(Cc2ccc(-c3nnn[n-]3)cc2Br)cn1 ZINC000826501016 609308388 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FDBDHM Cc1nn(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1[N+](=O)[O-] ZINC000826334864 609499621 /nfs/dbraw/zinc/49/96/21/609499621.db2.gz MPEOSLFCDUOSBH-UHFFFAOYSA-N -1 3 353.302 1.378 20 5 FDBDHM Cc1nn(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1[N+](=O)[O-] ZINC000826334864 609499623 /nfs/dbraw/zinc/49/96/23/609499623.db2.gz MPEOSLFCDUOSBH-UHFFFAOYSA-N -1 3 353.302 1.378 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccccc2F)c(F)c1 ZINC000159103571 671987519 /nfs/dbraw/zinc/98/75/19/671987519.db2.gz PMCBIINAPRSGSW-ZDUSSCGKSA-N -1 3 358.322 1.885 20 5 FDBDHM Cn1nccc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416368390 679587004 /nfs/dbraw/zinc/58/70/04/679587004.db2.gz HTNSJKBZQREPSE-UHFFFAOYSA-N -1 3 364.305 1.826 20 5 FDBDHM COCC(COC)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416493911 679639387 /nfs/dbraw/zinc/63/93/87/679639387.db2.gz ISRFVNDMXDLZOM-UHFFFAOYSA-N -1 3 372.321 1.553 20 5 FDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCNCC2(F)F)cc1C ZINC000420446065 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355.310 1.932 20 5 FDBDHM COc1ccc(CC(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000737087288 598495251 /nfs/dbraw/zinc/49/52/51/598495251.db2.gz MOSZSGRJJPEPDI-UHFFFAOYSA-N -1 3 355.310 1.932 20 5 FDBDHM CN(Cc1nnc2n1CCCCC2)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736830464 598497113 /nfs/dbraw/zinc/49/71/13/598497113.db2.gz KLVKLCZRQOMIMD-UHFFFAOYSA-N -1 3 370.377 1.124 20 5 FDBDHM CN(Cc1nnc2n1CCCCC2)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736830464 598497115 /nfs/dbraw/zinc/49/71/15/598497115.db2.gz KLVKLCZRQOMIMD-UHFFFAOYSA-N -1 3 370.377 1.124 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCC(Cc3ncc[nH]3)CC2)c(-c2nnn[n-]2)c1 ZINC000738369233 598502809 /nfs/dbraw/zinc/50/28/09/598502809.db2.gz JMNHDYZYGCMQDA-UHFFFAOYSA-N -1 3 355.362 1.352 20 5 FDBDHM CC(C)C(=O)N1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000735684421 598522726 /nfs/dbraw/zinc/52/27/26/598522726.db2.gz MCHJWYIGYMOLSI-UHFFFAOYSA-N -1 3 359.390 1.470 20 5 FDBDHM CC(C)C(=O)N1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000735684421 598522727 /nfs/dbraw/zinc/52/27/27/598522727.db2.gz MCHJWYIGYMOLSI-UHFFFAOYSA-N -1 3 359.390 1.470 20 5 FDBDHM O=C(COC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415735 607366487 /nfs/dbraw/zinc/36/64/87/607366487.db2.gz PXZYBRRATRPUTH-UHFFFAOYSA-N -1 3 371.284 1.954 20 5 FDBDHM O=C(COC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415735 607366489 /nfs/dbraw/zinc/36/64/89/607366489.db2.gz PXZYBRRATRPUTH-UHFFFAOYSA-N -1 3 371.284 1.954 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCN(Cc3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370606 599319783 /nfs/dbraw/zinc/31/97/83/599319783.db2.gz WQCFJMHLWPCJEN-UHFFFAOYSA-N -1 3 366.385 1.492 20 5 FDBDHM O=[N+]([O-])c1cnc(NCCc2nc3ccccc3o2)c(-c2nnn[n-]2)c1 ZINC000823650839 599361702 /nfs/dbraw/zinc/36/17/02/599361702.db2.gz CDFAXDHCLLYTHI-UHFFFAOYSA-N -1 3 352.314 1.966 20 5 FDBDHM O=[N+]([O-])c1cnc(NCCc2nc3ccccc3o2)c(-c2nn[n-]n2)c1 ZINC000823650839 599361703 /nfs/dbraw/zinc/36/17/03/599361703.db2.gz CDFAXDHCLLYTHI-UHFFFAOYSA-N -1 3 352.314 1.966 20 5 FDBDHM COCCCOC1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000821687606 599577149 /nfs/dbraw/zinc/57/71/49/599577149.db2.gz HFHIVFGVDHZDAT-UHFFFAOYSA-N -1 3 362.390 1.797 20 5 FDBDHM COCCCOC1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000821687606 599577152 /nfs/dbraw/zinc/57/71/52/599577152.db2.gz HFHIVFGVDHZDAT-UHFFFAOYSA-N -1 3 362.390 1.797 20 5 FDBDHM O=C(Nc1ncc2cc(-c3nnn[n-]3)ccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000826460667 607468655 /nfs/dbraw/zinc/46/86/55/607468655.db2.gz MJSLQOPUOLKVGH-UHFFFAOYSA-N -1 3 362.309 1.970 20 5 FDBDHM O=C(Nc1ncc2cc(-c3nn[n-]n3)ccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000826460667 607468656 /nfs/dbraw/zinc/46/86/56/607468656.db2.gz MJSLQOPUOLKVGH-UHFFFAOYSA-N -1 3 362.309 1.970 20 5 FDBDHM CN(C(=O)CN(CCC(=O)[O-])C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000830478788 601049011 /nfs/dbraw/zinc/04/90/11/601049011.db2.gz WMWZMPWGRNZOLX-UHFFFAOYSA-N -1 3 365.386 1.513 20 5 FDBDHM C[C@@H](O)[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000824689038 607561384 /nfs/dbraw/zinc/56/13/84/607561384.db2.gz JSTROKIADGHVSW-GHMZBOCLSA-N -1 3 369.385 1.920 20 5 FDBDHM C[C@@H](O)[C@@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000824689038 607561385 /nfs/dbraw/zinc/56/13/85/607561385.db2.gz JSTROKIADGHVSW-GHMZBOCLSA-N -1 3 369.385 1.920 20 5 FDBDHM COc1ccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1-c1nnn[n-]1 ZINC000826200847 607583299 /nfs/dbraw/zinc/58/32/99/607583299.db2.gz MDOFAPQBIWCTER-UHFFFAOYSA-N -1 3 369.341 1.417 20 5 FDBDHM COc1ccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1-c1nn[n-]n1 ZINC000826200847 607583300 /nfs/dbraw/zinc/58/33/00/607583300.db2.gz MDOFAPQBIWCTER-UHFFFAOYSA-N -1 3 369.341 1.417 20 5 FDBDHM O=[N+]([O-])c1cccc(CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000826499761 607600018 /nfs/dbraw/zinc/60/00/18/607600018.db2.gz WGEFHKIBGKIZOS-UHFFFAOYSA-N -1 3 360.355 1.253 20 5 FDBDHM O=[N+]([O-])c1cccc(CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000826499761 607600019 /nfs/dbraw/zinc/60/00/19/607600019.db2.gz WGEFHKIBGKIZOS-UHFFFAOYSA-N -1 3 360.355 1.253 20 5 FDBDHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000826471734 607700597 /nfs/dbraw/zinc/70/05/97/607700597.db2.gz LJRLMVSBIDHWKC-UHFFFAOYSA-N -1 3 368.357 1.065 20 5 FDBDHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000826471734 607700600 /nfs/dbraw/zinc/70/06/00/607700600.db2.gz LJRLMVSBIDHWKC-UHFFFAOYSA-N -1 3 368.357 1.065 20 5 FDBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@](C)(CNC(=O)[O-])C1CC1 ZINC000830432216 605165279 /nfs/dbraw/zinc/16/52/79/605165279.db2.gz CKRVZMKEZHYEGR-INIZCTEOSA-N -1 3 350.375 1.868 20 5 FDBDHM Cc1cc(OS(=O)(=O)c2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000822211702 606378699 /nfs/dbraw/zinc/37/86/99/606378699.db2.gz LNSALHLDCLIBDW-UHFFFAOYSA-N -1 3 361.339 1.851 20 5 FDBDHM Cc1cc(OS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000822211568 606378948 /nfs/dbraw/zinc/37/89/48/606378948.db2.gz FKHKLQFTZQIUIC-UHFFFAOYSA-N -1 3 361.339 1.851 20 5 FDBDHM Cc1cc(OS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000822211568 606378949 /nfs/dbraw/zinc/37/89/49/606378949.db2.gz FKHKLQFTZQIUIC-UHFFFAOYSA-N -1 3 361.339 1.851 20 5 FDBDHM Cc1nccn1[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000822476984 606709017 /nfs/dbraw/zinc/70/90/17/606709017.db2.gz BVUINMUFANYDNR-NSHDSACASA-N -1 3 355.362 1.516 20 5 FDBDHM Cc1nccn1[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000822476984 606709019 /nfs/dbraw/zinc/70/90/19/606709019.db2.gz BVUINMUFANYDNR-NSHDSACASA-N -1 3 355.362 1.516 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](Oc3ccccn3)C2)c(-c2nnn[n-]2)c1 ZINC000823640147 606879178 /nfs/dbraw/zinc/87/91/78/606879178.db2.gz VHKOWTALRGOTGM-GFCCVEGCSA-N -1 3 353.342 1.828 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](Oc3ccccn3)C2)c(-c2nn[n-]n2)c1 ZINC000823640147 606879180 /nfs/dbraw/zinc/87/91/80/606879180.db2.gz VHKOWTALRGOTGM-GFCCVEGCSA-N -1 3 353.342 1.828 20 5 FDBDHM Nc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822907506 606993876 /nfs/dbraw/zinc/99/38/76/606993876.db2.gz PTDGMHWYNNLPLC-UHFFFAOYSA-N -1 3 358.289 1.853 20 5 FDBDHM Nc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822907506 606993878 /nfs/dbraw/zinc/99/38/78/606993878.db2.gz PTDGMHWYNNLPLC-UHFFFAOYSA-N -1 3 358.289 1.853 20 5 FDBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(Cc2ccccc2)CC1 ZINC000823620293 607161223 /nfs/dbraw/zinc/16/12/23/607161223.db2.gz JPDDIMHBSQJVHD-UHFFFAOYSA-N -1 3 366.385 1.492 20 5 FDBDHM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(Cc2ccccc2)CC1 ZINC000823620293 607161225 /nfs/dbraw/zinc/16/12/25/607161225.db2.gz JPDDIMHBSQJVHD-UHFFFAOYSA-N -1 3 366.385 1.492 20 5 FDBDHM O=c1c([N+](=O)[O-])cn(Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000823657462 607170196 /nfs/dbraw/zinc/17/01/96/607170196.db2.gz PHOWJQAJWXWRBE-UHFFFAOYSA-N -1 3 361.249 1.032 20 5 FDBDHM O=c1c([N+](=O)[O-])cn(Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000823657462 607170197 /nfs/dbraw/zinc/17/01/97/607170197.db2.gz PHOWJQAJWXWRBE-UHFFFAOYSA-N -1 3 361.249 1.032 20 5 FDBDHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823478658 607193914 /nfs/dbraw/zinc/19/39/14/607193914.db2.gz OAXOWMLBGYRUTM-UHFFFAOYSA-N -1 3 365.353 1.975 20 5 FDBDHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823478658 607193915 /nfs/dbraw/zinc/19/39/15/607193915.db2.gz OAXOWMLBGYRUTM-UHFFFAOYSA-N -1 3 365.353 1.975 20 5 FDBDHM O=[N+]([O-])c1ccc(N[C@H](CO)C[C@H](O)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000826498688 607821063 /nfs/dbraw/zinc/82/10/63/607821063.db2.gz FNNHMMBAPYXZBZ-LRDDRELGSA-N -1 3 370.369 1.671 20 5 FDBDHM O=[N+]([O-])c1ccc(N[C@H](CO)C[C@H](O)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000826498688 607821064 /nfs/dbraw/zinc/82/10/64/607821064.db2.gz FNNHMMBAPYXZBZ-LRDDRELGSA-N -1 3 370.369 1.671 20 5 FDBDHM Cc1ccccc1OC[C@@H](O)COc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826307826 607869585 /nfs/dbraw/zinc/86/95/85/607869585.db2.gz XRXQPERTLQJHEN-CYBMUJFWSA-N -1 3 371.353 1.902 20 5 FDBDHM Cc1ccccc1OC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826307826 607869586 /nfs/dbraw/zinc/86/95/86/607869586.db2.gz XRXQPERTLQJHEN-CYBMUJFWSA-N -1 3 371.353 1.902 20 5 FDBDHM NC(=O)[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826388896 607903425 /nfs/dbraw/zinc/90/34/25/607903425.db2.gz LNARGAZNPYRQQG-CQSZACIVSA-N -1 3 353.342 1.283 20 5 FDBDHM NC(=O)[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826388896 607903426 /nfs/dbraw/zinc/90/34/26/607903426.db2.gz LNARGAZNPYRQQG-CQSZACIVSA-N -1 3 353.342 1.283 20 5 FDBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826439931 608008182 /nfs/dbraw/zinc/00/81/82/608008182.db2.gz QXWUVWRBBPSAEG-UHFFFAOYSA-N -1 3 373.760 1.796 20 5 FDBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826439931 608008183 /nfs/dbraw/zinc/00/81/83/608008183.db2.gz QXWUVWRBBPSAEG-UHFFFAOYSA-N -1 3 373.760 1.796 20 5 FDBDHM O=C(c1ccc([N+](=O)[O-])o1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826473549 608090760 /nfs/dbraw/zinc/09/07/60/608090760.db2.gz CMTGZFMJXSLKPD-ZDUSSCGKSA-N -1 3 370.325 1.582 20 5 FDBDHM O=C(c1ccc([N+](=O)[O-])o1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826473549 608090761 /nfs/dbraw/zinc/09/07/61/608090761.db2.gz CMTGZFMJXSLKPD-ZDUSSCGKSA-N -1 3 370.325 1.582 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](C[C@H]3CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000826500990 608296535 /nfs/dbraw/zinc/29/65/35/608296535.db2.gz UWVLFKKUOIUWKN-NWDGAFQWSA-N -1 3 359.390 1.813 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](C[C@H]3CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000826500990 608296537 /nfs/dbraw/zinc/29/65/37/608296537.db2.gz UWVLFKKUOIUWKN-NWDGAFQWSA-N -1 3 359.390 1.813 20 5 FDBDHM CN(C)C(=O)CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825839529 608368756 /nfs/dbraw/zinc/36/87/56/608368756.db2.gz IYCDIBPMHYVIJZ-UHFFFAOYSA-N -1 3 356.346 1.213 20 5 FDBDHM CN(C)C(=O)CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825839529 608368758 /nfs/dbraw/zinc/36/87/58/608368758.db2.gz IYCDIBPMHYVIJZ-UHFFFAOYSA-N -1 3 356.346 1.213 20 5 FDBDHM Cn1ncc([N+](=O)[O-])c1C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826366587 608376761 /nfs/dbraw/zinc/37/67/61/608376761.db2.gz PEFYZISLHQSCNM-UHFFFAOYSA-N -1 3 373.329 1.134 20 5 FDBDHM Cn1ncc([N+](=O)[O-])c1C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826366587 608376763 /nfs/dbraw/zinc/37/67/63/608376763.db2.gz PEFYZISLHQSCNM-UHFFFAOYSA-N -1 3 373.329 1.134 20 5 FDBDHM C[C@@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824647626 608426173 /nfs/dbraw/zinc/42/61/73/608426173.db2.gz ABGFRHLFFCNTGW-SNVBAGLBSA-N -1 3 374.382 1.814 20 5 FDBDHM C[C@@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824647626 608426175 /nfs/dbraw/zinc/42/61/75/608426175.db2.gz ABGFRHLFFCNTGW-SNVBAGLBSA-N -1 3 374.382 1.814 20 5 FDBDHM Nc1cc([N+](=O)[O-])ccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826395929 608435721 /nfs/dbraw/zinc/43/57/21/608435721.db2.gz 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CCc1noc(C)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000292768895 676312327 /nfs/dbraw/zinc/31/23/27/676312327.db2.gz JLSZLUAURPRSSQ-UHFFFAOYSA-N -1 3 355.372 1.941 20 5 FDBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)c1 ZINC000363023476 676930306 /nfs/dbraw/zinc/93/03/06/676930306.db2.gz MNNDIUYZWMSHDH-UHFFFAOYSA-N -1 3 364.318 1.510 20 5 FDBDHM CS(=O)(=O)[N-]c1c[nH]nc1[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000378554509 678758094 /nfs/dbraw/zinc/75/80/94/678758094.db2.gz RKFGGXUODWDQJO-JTQLQIEISA-N -1 3 366.403 1.468 20 5 FDBDHM Cc1ccc([N+](=O)[O-])c(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC000440674705 682016764 /nfs/dbraw/zinc/01/67/64/682016764.db2.gz LDNZONAXOLEDAR-UHFFFAOYSA-N -1 3 372.353 1.967 20 5 FDBDHM COC(=O)CCc1csc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000444979936 682440794 /nfs/dbraw/zinc/44/07/94/682440794.db2.gz BMKKZBMIDZSFSJ-UHFFFAOYSA-N -1 3 352.328 1.510 20 5 FDBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)cc1[N+](=O)[O-] ZINC000467307295 684854589 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COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594796009 552387795 /nfs/dbraw/zinc/38/77/95/552387795.db2.gz QQSWIIRTBRQKMJ-LLVKDONJSA-N -1 3 371.346 1.323 20 5 FDBDHM COC(=O)C[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C1CC1 ZINC000594861335 552412394 /nfs/dbraw/zinc/41/23/94/552412394.db2.gz DNLJUVBRPKBIIU-SNVBAGLBSA-N -1 3 362.429 1.832 20 5 FDBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C[C@@H](CO)CC1CC1)OCCO2 ZINC000594866313 552414676 /nfs/dbraw/zinc/41/46/76/552414676.db2.gz VGFFCEHRQRUSOU-NSHDSACASA-N -1 3 372.399 1.053 20 5 FDBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000594866909 552415237 /nfs/dbraw/zinc/41/52/37/552415237.db2.gz ZBLKBWGRRAGHAU-JTQLQIEISA-N -1 3 362.379 1.429 20 5 FDBDHM O=C(Cc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1)N1CCOCC1 ZINC000596075110 552652870 /nfs/dbraw/zinc/65/28/70/552652870.db2.gz WVTNCTCCYSJKCJ-UHFFFAOYSA-N -1 3 358.354 1.840 20 5 FDBDHM CCN1CCN(c2ccc(CNc3cc[n-]c(=O)c3[N+](=O)[O-])cn2)CC1 ZINC000596077815 552652969 /nfs/dbraw/zinc/65/29/69/552652969.db2.gz QQAZGPRYELOWOV-UHFFFAOYSA-N -1 3 358.402 1.844 20 5 FDBDHM COc1ccc(CN2CC[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2=O)cc1 ZINC000596128315 552658295 /nfs/dbraw/zinc/65/82/95/552658295.db2.gz HQYGCICVNXJEPY-AWEZNQCLSA-N -1 3 358.354 1.917 20 5 FDBDHM COc1cccc(OCCN2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC000596169130 552661440 /nfs/dbraw/zinc/66/14/40/552661440.db2.gz QRNYYRYQLPUWAM-UHFFFAOYSA-N -1 3 374.397 1.905 20 5 FDBDHM O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597990301 552853150 /nfs/dbraw/zinc/85/31/50/552853150.db2.gz LDLBQUCOTSVMRA-HNNXBMFYSA-N -1 3 372.381 1.192 20 5 FDBDHM O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000597992253 552854001 /nfs/dbraw/zinc/85/40/01/552854001.db2.gz UCEIVHXYSFRDRA-QGZVFWFLSA-N -1 3 371.393 1.797 20 5 FDBDHM CC(C)(C)OC(=O)C(C)(C)n1ccc(=NC(=O)c2cc([N+](=O)[O-])[n-]n2)[nH]1 ZINC000598436021 552894970 /nfs/dbraw/zinc/89/49/70/552894970.db2.gz 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CC(C)(C(=O)[O-])N1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000600872068 553323022 /nfs/dbraw/zinc/32/30/22/553323022.db2.gz DIEJRDWQVZSLNT-UHFFFAOYSA-N -1 3 372.381 1.764 20 5 FDBDHM CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000600876233 553323685 /nfs/dbraw/zinc/32/36/85/553323685.db2.gz VOFGQMUHYPOMFC-UHFFFAOYSA-N -1 3 361.358 1.092 20 5 FDBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2C[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000601523447 553428088 /nfs/dbraw/zinc/42/80/88/553428088.db2.gz UOSLNNLXMXPZTG-HTRCEHHLSA-N -1 3 358.269 1.972 20 5 FDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(=O)NC2CCCC2)cc1C ZINC000604502850 553882064 /nfs/dbraw/zinc/88/20/64/553882064.db2.gz OMLFYSMAWVLWSU-UHFFFAOYSA-N -1 3 355.416 1.549 20 5 FDBDHM COc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000609122031 554339260 /nfs/dbraw/zinc/33/92/60/554339260.db2.gz PIVYLIRVHJWDSR-LBPRGKRZSA-N -1 3 364.379 1.885 20 5 FDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNc1cnc2ccccc2n1 ZINC000609738944 554417036 /nfs/dbraw/zinc/41/70/36/554417036.db2.gz ZTDDIINCIGMGQL-UHFFFAOYSA-N -1 3 373.394 1.928 20 5 FDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)S(C)(=O)=O)cc1C ZINC000610511234 554520872 /nfs/dbraw/zinc/52/08/72/554520872.db2.gz PFUNSBWBGQHSDP-UHFFFAOYSA-N -1 3 364.445 1.313 20 5 FDBDHM CCOC(=O)c1nnc([N-]C(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000610724330 554554683 /nfs/dbraw/zinc/55/46/83/554554683.db2.gz FXIRUTFIGHXAFU-UHFFFAOYSA-N -1 3 352.328 1.884 20 5 FDBDHM CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000611118458 554607343 /nfs/dbraw/zinc/60/73/43/554607343.db2.gz NDHCXKRQXRDJKM-NSHDSACASA-N -1 3 359.404 1.042 20 5 FDBDHM CCC(CC)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(=O)OC ZINC000619487765 555786405 /nfs/dbraw/zinc/78/64/05/555786405.db2.gz PUWZULHOWAFAMA-UHFFFAOYSA-N -1 3 360.388 1.614 20 5 FDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000619493356 555788449 /nfs/dbraw/zinc/78/84/49/555788449.db2.gz AYEHZVXFNZAASS-VCTAVGKDSA-N -1 3 368.411 1.839 20 5 FDBDHM CC[C@]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)(C(N)=O)C(C)C ZINC000619495810 555789015 /nfs/dbraw/zinc/78/90/15/555789015.db2.gz APOSDHBKAMLSKW-CQSZACIVSA-N -1 3 359.404 1.172 20 5 FDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000619494786 555789061 /nfs/dbraw/zinc/78/90/61/555789061.db2.gz LFNVIQCYXMTRHA-NHYWBVRUSA-N -1 3 372.399 1.220 20 5 FDBDHM C/C=C/C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(=O)OCC ZINC000619496973 555789526 /nfs/dbraw/zinc/78/95/26/555789526.db2.gz NASHDNANYNNRIW-MALLOTDXSA-N -1 3 372.399 1.780 20 5 FDBDHM COc1cc(CCNC(=O)c2c([O-])cccc2O)c([N+](=O)[O-])cc1OC ZINC000436649604 568232854 /nfs/dbraw/zinc/23/28/54/568232854.db2.gz VWKVNNPUPQRLFJ-UHFFFAOYSA-N -1 3 362.338 1.996 20 5 FDBDHM CN(C)C(=O)[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736746944 598945901 /nfs/dbraw/zinc/94/59/01/598945901.db2.gz PJIASMKGTZZVAV-NXEZZACHSA-N -1 3 360.378 1.229 20 5 FDBDHM 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CCO[C@@H]1C[C@H](O)C12CCN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC000736612344 599047188 /nfs/dbraw/zinc/04/71/88/599047188.db2.gz OCARHAGCBLPZCW-LSDHHAIUSA-N -1 3 374.401 1.531 20 5 FDBDHM CCO[C@@H]1C[C@H](O)C12CCN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)CC2 ZINC000736612344 599047191 /nfs/dbraw/zinc/04/71/91/599047191.db2.gz OCARHAGCBLPZCW-LSDHHAIUSA-N -1 3 374.401 1.531 20 5 FDBDHM CCO[C@@H]1C[C@@H](O)C12CCN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC000736612343 599047205 /nfs/dbraw/zinc/04/72/05/599047205.db2.gz OCARHAGCBLPZCW-HUUCEWRRSA-N -1 3 374.401 1.531 20 5 FDBDHM CCO[C@@H]1C[C@@H](O)C12CCN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)CC2 ZINC000736612343 599047207 /nfs/dbraw/zinc/04/72/07/599047207.db2.gz OCARHAGCBLPZCW-HUUCEWRRSA-N -1 3 374.401 1.531 20 5 FDBDHM Cc1ccnc(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1[N+](=O)[O-] ZINC000737438085 599047210 /nfs/dbraw/zinc/04/72/10/599047210.db2.gz YIDPPJHKBQOMIO-UHFFFAOYSA-N -1 3 367.373 1.200 20 5 FDBDHM Cc1ccnc(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1[N+](=O)[O-] ZINC000737438085 599047212 /nfs/dbraw/zinc/04/72/12/599047212.db2.gz YIDPPJHKBQOMIO-UHFFFAOYSA-N -1 3 367.373 1.200 20 5 FDBDHM Cc1cc(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000737282188 599082760 /nfs/dbraw/zinc/08/27/60/599082760.db2.gz BJOANKAKKRJYBF-UHFFFAOYSA-N -1 3 374.382 1.562 20 5 FDBDHM Cc1cc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000737282188 599082763 /nfs/dbraw/zinc/08/27/63/599082763.db2.gz BJOANKAKKRJYBF-UHFFFAOYSA-N -1 3 374.382 1.562 20 5 FDBDHM COc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC000821772962 599173933 /nfs/dbraw/zinc/17/39/33/599173933.db2.gz VSMUMZMMHPNPME-UHFFFAOYSA-N -1 3 372.316 1.853 20 5 FDBDHM COc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC000821772962 599173936 /nfs/dbraw/zinc/17/39/36/599173936.db2.gz VSMUMZMMHPNPME-UHFFFAOYSA-N -1 3 372.316 1.853 20 5 FDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822471591 599177009 /nfs/dbraw/zinc/17/70/09/599177009.db2.gz DUATVKQYKWCNML-UHFFFAOYSA-N -1 3 357.305 1.547 20 5 FDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822471591 599177010 /nfs/dbraw/zinc/17/70/10/599177010.db2.gz DUATVKQYKWCNML-UHFFFAOYSA-N -1 3 357.305 1.547 20 5 FDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000737969086 599190119 /nfs/dbraw/zinc/19/01/19/599190119.db2.gz NJIWWRBNXHANKP-UHFFFAOYSA-N -1 3 372.370 1.258 20 5 FDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000737969086 599190116 /nfs/dbraw/zinc/19/01/16/599190116.db2.gz NJIWWRBNXHANKP-UHFFFAOYSA-N -1 3 372.370 1.258 20 5 FDBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])ccc1F ZINC000738088826 599216492 /nfs/dbraw/zinc/21/64/92/599216492.db2.gz LJXPRXWQZALASY-UHFFFAOYSA-N -1 3 372.316 1.723 20 5 FDBDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NCCc1ccccc1[N+](=O)[O-] ZINC000737925351 599231770 /nfs/dbraw/zinc/23/17/70/599231770.db2.gz QXEAXRDSHGHZEN-UHFFFAOYSA-N -1 3 368.353 1.513 20 5 FDBDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NCCc1ccccc1[N+](=O)[O-] ZINC000737925351 599231772 /nfs/dbraw/zinc/23/17/72/599231772.db2.gz QXEAXRDSHGHZEN-UHFFFAOYSA-N -1 3 368.353 1.513 20 5 FDBDHM O=C(CC1CCCCC1)NCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737820441 598245635 /nfs/dbraw/zinc/24/56/35/598245635.db2.gz JTIKUCYKJUAWBX-UHFFFAOYSA-N -1 3 374.405 1.668 20 5 FDBDHM O=C(CC1CCCCC1)NCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737820441 598245636 /nfs/dbraw/zinc/24/56/36/598245636.db2.gz JTIKUCYKJUAWBX-UHFFFAOYSA-N -1 3 374.405 1.668 20 5 FDBDHM O=C1Cc2ccccc2N1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000738315872 598248571 /nfs/dbraw/zinc/24/85/71/598248571.db2.gz MYTGGYPAPISHIR-UHFFFAOYSA-N -1 3 366.341 1.171 20 5 FDBDHM O=C1Cc2ccccc2N1CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000738315872 598248572 /nfs/dbraw/zinc/24/85/72/598248572.db2.gz MYTGGYPAPISHIR-UHFFFAOYSA-N -1 3 366.341 1.171 20 5 FDBDHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc([N+](=O)[O-])o1 ZINC000738317331 598380995 /nfs/dbraw/zinc/38/09/95/598380995.db2.gz CIJRSWLWZKGXBH-YRNVUSSQSA-N -1 3 352.266 1.712 20 5 FDBDHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc([N+](=O)[O-])o1 ZINC000738317331 598380996 /nfs/dbraw/zinc/38/09/96/598380996.db2.gz CIJRSWLWZKGXBH-YRNVUSSQSA-N -1 3 352.266 1.712 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCO[C@@H](c3cccc(F)c3)C2)c(-c2nnn[n-]2)c1 ZINC000738369842 598458366 /nfs/dbraw/zinc/45/83/66/598458366.db2.gz PTTMXOOZCYELEU-CQSZACIVSA-N -1 3 371.332 1.887 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCO[C@@H](c3cccc(F)c3)C2)c(-c2nn[n-]n2)c1 ZINC000738369842 598458367 /nfs/dbraw/zinc/45/83/67/598458367.db2.gz PTTMXOOZCYELEU-CQSZACIVSA-N -1 3 371.332 1.887 20 5 FDBDHM O=C(COC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826416338 607359798 /nfs/dbraw/zinc/35/97/98/607359798.db2.gz USFURTJFKPAWQE-UHFFFAOYSA-N -1 3 353.294 1.815 20 5 FDBDHM O=C(COC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826416338 607359800 /nfs/dbraw/zinc/35/98/00/607359800.db2.gz USFURTJFKPAWQE-UHFFFAOYSA-N -1 3 353.294 1.815 20 5 FDBDHM O=C1[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000738297376 598747755 /nfs/dbraw/zinc/74/77/55/598747755.db2.gz QQPVRGWUEIZYSA-SECBINFHSA-N -1 3 371.279 1.350 20 5 FDBDHM O=C1[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000738297376 598747757 /nfs/dbraw/zinc/74/77/57/598747757.db2.gz QQPVRGWUEIZYSA-SECBINFHSA-N -1 3 371.279 1.350 20 5 FDBDHM Cc1cc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)c(N)c([N+](=O)[O-])c1 ZINC000737236968 598814662 /nfs/dbraw/zinc/81/46/62/598814662.db2.gz WRVNYBAIWZESBR-UHFFFAOYSA-N -1 3 353.342 1.596 20 5 FDBDHM Cc1cc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)c(N)c([N+](=O)[O-])c1 ZINC000737236968 598814664 /nfs/dbraw/zinc/81/46/64/598814664.db2.gz WRVNYBAIWZESBR-UHFFFAOYSA-N -1 3 353.342 1.596 20 5 FDBDHM CCc1n[nH]c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000821461728 599555467 /nfs/dbraw/zinc/55/54/67/599555467.db2.gz RNNHRUIJKGURJJ-MRVPVSSYSA-N -1 3 356.346 1.551 20 5 FDBDHM CCN1CCN([C@H](C)CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000737114812 600591824 /nfs/dbraw/zinc/59/18/24/600591824.db2.gz GRGKTOBXEFHILF-GFCCVEGCSA-N -1 3 364.402 1.049 20 5 FDBDHM O=C([O-])c1ccc(CN[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000833314486 601617203 /nfs/dbraw/zinc/61/72/03/601617203.db2.gz LCINGFUDQXZJBQ-JKSUJKDBSA-N -1 3 364.329 1.616 20 5 FDBDHM O=C([O-])c1sccc1CN[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000833348358 601805982 /nfs/dbraw/zinc/80/59/82/601805982.db2.gz IMAYKZIDPLSVIH-OLZOCXBDSA-N -1 3 352.368 1.539 20 5 FDBDHM CN(C(=O)[O-])[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000739585949 601973678 /nfs/dbraw/zinc/97/36/78/601973678.db2.gz RHQARDRPEIGNLU-CQSZACIVSA-N -1 3 350.375 1.998 20 5 FDBDHM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000739012998 602263418 /nfs/dbraw/zinc/26/34/18/602263418.db2.gz XDYQEMWMDRSIHZ-NOLJZWGESA-N -1 3 367.402 1.845 20 5 FDBDHM COc1ccc(OCCN2CCC[C@@H](CNC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829501180 604040724 /nfs/dbraw/zinc/04/07/24/604040724.db2.gz VRIHFATVLULLHN-LBPRGKRZSA-N -1 3 353.375 1.962 20 5 FDBDHM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000834095954 605968097 /nfs/dbraw/zinc/96/80/97/605968097.db2.gz QOYJZNMLWJNIID-VHDGCEQUSA-N -1 3 365.386 1.551 20 5 FDBDHM CC(C)(C)OC(=O)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000819921842 606100967 /nfs/dbraw/zinc/10/09/67/606100967.db2.gz BMXMYBGHVYMSNW-LLVKDONJSA-N -1 3 360.374 1.943 20 5 FDBDHM CC(C)(C)OC(=O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000819921842 606100968 /nfs/dbraw/zinc/10/09/68/606100968.db2.gz BMXMYBGHVYMSNW-LLVKDONJSA-N -1 3 360.374 1.943 20 5 FDBDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCCn1cc([N+](=O)[O-])cn1 ZINC000822979015 606225903 /nfs/dbraw/zinc/22/59/03/606225903.db2.gz VHSGCMYJUDBMNT-UHFFFAOYSA-N -1 3 357.330 1.147 20 5 FDBDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCCn1cc([N+](=O)[O-])cn1 ZINC000822979015 606225904 /nfs/dbraw/zinc/22/59/04/606225904.db2.gz VHSGCMYJUDBMNT-UHFFFAOYSA-N -1 3 357.330 1.147 20 5 FDBDHM O=C1[C@@H](Nc2ccc(-c3nn[n-]n3)cc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000823511257 606244345 /nfs/dbraw/zinc/24/43/45/606244345.db2.gz FBXLUFFRRBGMSZ-HNNXBMFYSA-N -1 3 365.353 1.992 20 5 FDBDHM Nc1c(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cccc1[N+](=O)[O-] ZINC000822903938 606576796 /nfs/dbraw/zinc/57/67/96/606576796.db2.gz QJEZTGHKNQDXKU-UHFFFAOYSA-N -1 3 357.305 1.426 20 5 FDBDHM Nc1c(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cccc1[N+](=O)[O-] ZINC000822903938 606576797 /nfs/dbraw/zinc/57/67/97/606576797.db2.gz QJEZTGHKNQDXKU-UHFFFAOYSA-N -1 3 357.305 1.426 20 5 FDBDHM CNC(=O)c1ccc(CN(C)c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC000821635031 606644803 /nfs/dbraw/zinc/64/48/03/606644803.db2.gz HXNUKMJYKZPXKC-UHFFFAOYSA-N -1 3 367.369 1.771 20 5 FDBDHM O=C(COc1ccccc1-c1nnn[n-]1)OCCc1ccccc1[N+](=O)[O-] ZINC000823055627 606824337 /nfs/dbraw/zinc/82/43/37/606824337.db2.gz TZPHNZFHEJJICS-UHFFFAOYSA-N -1 3 369.337 1.940 20 5 FDBDHM O=C(COc1ccccc1-c1nn[n-]n1)OCCc1ccccc1[N+](=O)[O-] ZINC000823055627 606824339 /nfs/dbraw/zinc/82/43/39/606824339.db2.gz TZPHNZFHEJJICS-UHFFFAOYSA-N -1 3 369.337 1.940 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CC[C@H](Oc3ccccn3)C2)c(-c2nnn[n-]2)c1 ZINC000823640148 606878886 /nfs/dbraw/zinc/87/88/86/606878886.db2.gz VHKOWTALRGOTGM-LBPRGKRZSA-N -1 3 353.342 1.828 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CC[C@H](Oc3ccccn3)C2)c(-c2nn[n-]n2)c1 ZINC000823640148 606878887 /nfs/dbraw/zinc/87/88/87/606878887.db2.gz VHKOWTALRGOTGM-LBPRGKRZSA-N -1 3 353.342 1.828 20 5 FDBDHM O=[N+]([O-])c1cnc(NCC[C@H]2COc3ccccc3O2)c(-c2nnn[n-]2)c1 ZINC000823651811 607038865 /nfs/dbraw/zinc/03/88/65/607038865.db2.gz RHNOUMCUHCHPRY-NSHDSACASA-N -1 3 369.341 1.812 20 5 FDBDHM O=[N+]([O-])c1cnc(NCC[C@H]2COc3ccccc3O2)c(-c2nn[n-]n2)c1 ZINC000823651811 607038867 /nfs/dbraw/zinc/03/88/67/607038867.db2.gz RHNOUMCUHCHPRY-NSHDSACASA-N -1 3 369.341 1.812 20 5 FDBDHM CC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000820995857 607174213 /nfs/dbraw/zinc/17/42/13/607174213.db2.gz ZDBPRTSLXBSRNR-MLGOLLRUSA-N -1 3 373.417 1.322 20 5 FDBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCOC3(CCOCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823652240 607176022 /nfs/dbraw/zinc/17/60/22/607176022.db2.gz XJMKTQYJOVRLAP-SNVBAGLBSA-N -1 3 361.362 1.310 20 5 FDBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCOC3(CCOCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823652240 607176023 /nfs/dbraw/zinc/17/60/23/607176023.db2.gz XJMKTQYJOVRLAP-SNVBAGLBSA-N -1 3 361.362 1.310 20 5 FDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826330139 607945423 /nfs/dbraw/zinc/94/54/23/607945423.db2.gz HEZXUQPDSLRWGC-UHFFFAOYSA-N -1 3 351.326 1.681 20 5 FDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826330139 607945424 /nfs/dbraw/zinc/94/54/24/607945424.db2.gz HEZXUQPDSLRWGC-UHFFFAOYSA-N -1 3 351.326 1.681 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCO[C@@H](c3cccc(O)c3)C2)c(-c2nnn[n-]2)c1 ZINC000826500707 608015851 /nfs/dbraw/zinc/01/58/51/608015851.db2.gz JALHZUUEOWDORB-CQSZACIVSA-N -1 3 369.341 1.453 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCO[C@@H](c3cccc(O)c3)C2)c(-c2nn[n-]n2)c1 ZINC000826500707 608015852 /nfs/dbraw/zinc/01/58/52/608015852.db2.gz JALHZUUEOWDORB-CQSZACIVSA-N -1 3 369.341 1.453 20 5 FDBDHM Cc1ccc(-c2nnn[n-]2)c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000826274870 608272438 /nfs/dbraw/zinc/27/24/38/608272438.db2.gz HMQGZKQTJYYUSR-UHFFFAOYSA-N -1 3 367.373 1.200 20 5 FDBDHM Cc1ccc(-c2nn[n-]n2)c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000826274870 608272441 /nfs/dbraw/zinc/27/24/41/608272441.db2.gz HMQGZKQTJYYUSR-UHFFFAOYSA-N -1 3 367.373 1.200 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CCCN(CC(F)F)CC2)c(-c2nnn[n-]2)c1 ZINC000826498821 608302489 /nfs/dbraw/zinc/30/24/89/608302489.db2.gz LARHBBWRTUEBPH-UHFFFAOYSA-N -1 3 353.333 1.552 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CCCN(CC(F)F)CC2)c(-c2nn[n-]n2)c1 ZINC000826498821 608302491 /nfs/dbraw/zinc/30/24/91/608302491.db2.gz 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/nfs/dbraw/zinc/18/00/40/553180040.db2.gz USJSMZZNWAETDH-MNOVXSKESA-N -1 3 355.778 1.235 20 5 FDBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000600161104 553226276 /nfs/dbraw/zinc/22/62/76/553226276.db2.gz HNJZGOIQWZJMDN-FRRDWIJNSA-N -1 3 367.427 1.426 20 5 FDBDHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000600666824 553296555 /nfs/dbraw/zinc/29/65/55/553296555.db2.gz GHBVDWFXMPWWNM-UHFFFAOYSA-N -1 3 353.404 1.499 20 5 FDBDHM Cc1cc(S(=O)(=O)[N-]CCOCC(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000601298919 553371184 /nfs/dbraw/zinc/37/11/84/553371184.db2.gz RUUOAMFBLSRFFP-UHFFFAOYSA-N -1 3 360.285 1.900 20 5 FDBDHM Cn1c(C(=O)Nc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)ccc1[N+](=O)[O-] ZINC000603610396 553806032 /nfs/dbraw/zinc/80/60/32/553806032.db2.gz DZMBCKHXGKKEQM-INIZCTEOSA-N -1 3 357.326 1.240 20 5 FDBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000609169137 554345485 /nfs/dbraw/zinc/34/54/85/554345485.db2.gz PDUJKDQPLYPVIY-UHFFFAOYSA-N -1 3 368.309 1.798 20 5 FDBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000609169137 554345488 /nfs/dbraw/zinc/34/54/88/554345488.db2.gz PDUJKDQPLYPVIY-UHFFFAOYSA-N -1 3 368.309 1.798 20 5 FDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000609619438 554403306 /nfs/dbraw/zinc/40/33/06/554403306.db2.gz RZEDYVRIKANYGG-MFKMUULPSA-N -1 3 350.400 1.704 20 5 FDBDHM CCC(CC)CNC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609741865 554417131 /nfs/dbraw/zinc/41/71/31/554417131.db2.gz AXGHQKJITGZVJX-UHFFFAOYSA-N -1 3 372.447 1.609 20 5 FDBDHM C[C@@H](CNC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000609747035 554418485 /nfs/dbraw/zinc/41/84/85/554418485.db2.gz XWIPPOXXCYVQPR-NSHDSACASA-N -1 3 370.431 1.218 20 5 FDBDHM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCN(Cc2ccccc2)C1 ZINC000610211874 554474431 /nfs/dbraw/zinc/47/44/31/554474431.db2.gz DQBDSSJKDHVVCT-CQSZACIVSA-N -1 3 362.411 1.543 20 5 FDBDHM Cn1ncc2c1nc(CN1CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C1)[n-]c2=O ZINC000610391336 554499578 /nfs/dbraw/zinc/49/95/78/554499578.db2.gz MNFLBEILYWTWJP-JTQLQIEISA-N -1 3 370.373 1.059 20 5 FDBDHM O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC12CCC2 ZINC000610739416 554556258 /nfs/dbraw/zinc/55/62/58/554556258.db2.gz NBMLPHBRLUBWBV-NSHDSACASA-N -1 3 353.400 1.180 20 5 FDBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)(C)O ZINC000611020806 554595571 /nfs/dbraw/zinc/59/55/71/554595571.db2.gz RYPMVSZOOYGGKI-SSDOTTSWSA-N -1 3 367.221 1.795 20 5 FDBDHM CCOC(=O)c1ncc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[n-]1 ZINC000617876516 555529143 /nfs/dbraw/zinc/52/91/43/555529143.db2.gz SIASKWKEGZWTOA-UHFFFAOYSA-N -1 3 370.325 1.933 20 5 FDBDHM CCOC(=O)c1nc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c[n-]1 ZINC000617876516 555529147 /nfs/dbraw/zinc/52/91/47/555529147.db2.gz SIASKWKEGZWTOA-UHFFFAOYSA-N -1 3 370.325 1.933 20 5 FDBDHM CCOC(=O)c1ncc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[n-]1 ZINC000618919159 555696055 /nfs/dbraw/zinc/69/60/55/555696055.db2.gz DXPCORJWMPDQMM-UHFFFAOYSA-N -1 3 371.313 1.328 20 5 FDBDHM CCOC(=O)c1nc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c[n-]1 ZINC000618919159 555696056 /nfs/dbraw/zinc/69/60/56/555696056.db2.gz DXPCORJWMPDQMM-UHFFFAOYSA-N -1 3 371.313 1.328 20 5 FDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](CO)c1sccc1C ZINC000619489572 555786933 /nfs/dbraw/zinc/78/69/33/555786933.db2.gz QWXLKBGCXSGRII-SNVBAGLBSA-N -1 3 372.424 1.985 20 5 FDBDHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)Cn2ccnc2)c([N+](=O)[O-])c1 ZINC000481453699 567957813 /nfs/dbraw/zinc/95/78/13/567957813.db2.gz WDLVYZZGXUWCGW-NSHDSACASA-N -1 3 354.388 1.415 20 5 FDBDHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc([N+](=O)[O-])c2C)c(C)o1 ZINC000481492308 567987291 /nfs/dbraw/zinc/98/72/91/567987291.db2.gz MQPOGSNCWOXWLK-UHFFFAOYSA-N -1 3 367.383 1.643 20 5 FDBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@](C)(OC)C2CC2)cc1[N+](=O)[O-] ZINC000291683309 568255008 /nfs/dbraw/zinc/25/50/08/568255008.db2.gz LQIWINBQQCERAM-CQSZACIVSA-N -1 3 362.379 1.836 20 5 FDBDHM CCO[C@H](C)c1noc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000821345963 599071895 /nfs/dbraw/zinc/07/18/95/599071895.db2.gz BKYOOMOLRKDRIE-SECBINFHSA-N -1 3 374.361 1.892 20 5 FDBDHM CCO[C@H](C)c1noc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000821345963 599071898 /nfs/dbraw/zinc/07/18/98/599071898.db2.gz BKYOOMOLRKDRIE-SECBINFHSA-N -1 3 374.361 1.892 20 5 FDBDHM CNc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC000821637487 599176273 /nfs/dbraw/zinc/17/62/73/599176273.db2.gz HVBOLOIZGIANLQ-UHFFFAOYSA-N -1 3 371.332 1.886 20 5 FDBDHM CNc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC000821637487 599176275 /nfs/dbraw/zinc/17/62/75/599176275.db2.gz HVBOLOIZGIANLQ-UHFFFAOYSA-N -1 3 371.332 1.886 20 5 FDBDHM COc1ccc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1OC ZINC000821794926 599199249 /nfs/dbraw/zinc/19/92/49/599199249.db2.gz QNPNHTGLCSYPQV-UHFFFAOYSA-N -1 3 371.357 1.824 20 5 FDBDHM COc1ccc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1OC ZINC000821794926 599199250 /nfs/dbraw/zinc/19/92/50/599199250.db2.gz QNPNHTGLCSYPQV-UHFFFAOYSA-N -1 3 371.357 1.824 20 5 FDBDHM Nc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000737772645 598311075 /nfs/dbraw/zinc/31/10/75/598311075.db2.gz DZBQKXLVZMDQSD-UHFFFAOYSA-N -1 3 357.305 1.426 20 5 FDBDHM Nc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000737772645 598311077 /nfs/dbraw/zinc/31/10/77/598311077.db2.gz DZBQKXLVZMDQSD-UHFFFAOYSA-N -1 3 357.305 1.426 20 5 FDBDHM CC(C)c1n[nH]c(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1[N+](=O)[O-] ZINC000820183499 607355033 /nfs/dbraw/zinc/35/50/33/607355033.db2.gz GHHOMVMVVVKQKH-UHFFFAOYSA-N -1 3 374.336 1.691 20 5 FDBDHM O=[N+]([O-])c1ccc(NCc2nnnn2-c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738371933 598426829 /nfs/dbraw/zinc/42/68/29/598426829.db2.gz ZLEOHVZKHJHUKM-UHFFFAOYSA-N -1 3 364.329 1.363 20 5 FDBDHM O=[N+]([O-])c1ccc(NCc2nnnn2-c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738371933 598426831 /nfs/dbraw/zinc/42/68/31/598426831.db2.gz ZLEOHVZKHJHUKM-UHFFFAOYSA-N -1 3 364.329 1.363 20 5 FDBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737115220 598447478 /nfs/dbraw/zinc/44/74/78/598447478.db2.gz NKEREQKXRGSYNQ-UHFFFAOYSA-N -1 3 355.314 1.109 20 5 FDBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737115220 598447479 /nfs/dbraw/zinc/44/74/79/598447479.db2.gz NKEREQKXRGSYNQ-UHFFFAOYSA-N -1 3 355.314 1.109 20 5 FDBDHM Cc1ncc2c(n1)CC[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC000737498597 598501259 /nfs/dbraw/zinc/50/12/59/598501259.db2.gz IXRCFGBIQSFFKW-SNVBAGLBSA-N -1 3 353.346 1.238 20 5 FDBDHM Cc1ncc2c(n1)CC[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC000737498597 598501261 /nfs/dbraw/zinc/50/12/61/598501261.db2.gz IXRCFGBIQSFFKW-SNVBAGLBSA-N -1 3 353.346 1.238 20 5 FDBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738085723 598596754 /nfs/dbraw/zinc/59/67/54/598596754.db2.gz MOHRJZJNUYRXJG-UHFFFAOYSA-N -1 3 369.341 1.975 20 5 FDBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738085723 598596756 /nfs/dbraw/zinc/59/67/56/598596756.db2.gz MOHRJZJNUYRXJG-UHFFFAOYSA-N -1 3 369.341 1.975 20 5 FDBDHM COc1cccc2c1OC[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC000737143715 598612939 /nfs/dbraw/zinc/61/29/39/598612939.db2.gz UEZXLVABDDVJTQ-JTQLQIEISA-N -1 3 369.341 1.594 20 5 FDBDHM COc1cccc2c1OC[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC000737143715 598612941 /nfs/dbraw/zinc/61/29/41/598612941.db2.gz UEZXLVABDDVJTQ-JTQLQIEISA-N -1 3 369.341 1.594 20 5 FDBDHM Cn1c(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)nc2ccccc21 ZINC000822595695 599311828 /nfs/dbraw/zinc/31/18/28/599311828.db2.gz BNPZCRARYHPERD-UHFFFAOYSA-N -1 3 351.330 1.669 20 5 FDBDHM Cn1c(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)nc2ccccc21 ZINC000822595695 599311830 /nfs/dbraw/zinc/31/18/30/599311830.db2.gz BNPZCRARYHPERD-UHFFFAOYSA-N -1 3 351.330 1.669 20 5 FDBDHM Cc1n[nH]cc1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822418895 599496168 /nfs/dbraw/zinc/49/61/68/599496168.db2.gz IRTBWOHRUGUBHA-UHFFFAOYSA-N -1 3 351.330 1.967 20 5 FDBDHM Cc1n[nH]cc1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822418895 599496171 /nfs/dbraw/zinc/49/61/71/599496171.db2.gz IRTBWOHRUGUBHA-UHFFFAOYSA-N -1 3 351.330 1.967 20 5 FDBDHM C[C@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCCO1 ZINC000820767122 599520637 /nfs/dbraw/zinc/52/06/37/599520637.db2.gz GKQRIXSXPXEMQQ-JTQLQIEISA-N -1 3 355.358 1.938 20 5 FDBDHM C[C@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCCO1 ZINC000820767122 599520638 /nfs/dbraw/zinc/52/06/38/599520638.db2.gz GKQRIXSXPXEMQQ-JTQLQIEISA-N -1 3 355.358 1.938 20 5 FDBDHM C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396206 599534706 /nfs/dbraw/zinc/53/47/06/599534706.db2.gz CRGKTACZVDSFKH-SECBINFHSA-N -1 3 353.342 1.848 20 5 FDBDHM C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396206 599534708 /nfs/dbraw/zinc/53/47/08/599534708.db2.gz CRGKTACZVDSFKH-SECBINFHSA-N -1 3 353.342 1.848 20 5 FDBDHM COC[C@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821684716 599566694 /nfs/dbraw/zinc/56/66/94/599566694.db2.gz IJSCZEXFYBYIAP-JTQLQIEISA-N -1 3 355.358 1.796 20 5 FDBDHM COC[C@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821684716 599566697 /nfs/dbraw/zinc/56/66/97/599566697.db2.gz IJSCZEXFYBYIAP-JTQLQIEISA-N -1 3 355.358 1.796 20 5 FDBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000826253470 607405197 /nfs/dbraw/zinc/40/51/97/607405197.db2.gz RJZQCMQAVJHJFH-UHFFFAOYSA-N -1 3 357.330 1.413 20 5 FDBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000826253470 607405199 /nfs/dbraw/zinc/40/51/99/607405199.db2.gz RJZQCMQAVJHJFH-UHFFFAOYSA-N -1 3 357.330 1.413 20 5 FDBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc([N+](=O)[O-])cn1C ZINC000821745301 607412393 /nfs/dbraw/zinc/41/23/93/607412393.db2.gz OGSXYYXWBJXFMA-UHFFFAOYSA-N -1 3 358.314 1.479 20 5 FDBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc([N+](=O)[O-])cn1C ZINC000821745301 607412395 /nfs/dbraw/zinc/41/23/95/607412395.db2.gz OGSXYYXWBJXFMA-UHFFFAOYSA-N -1 3 358.314 1.479 20 5 FDBDHM CN(C)CCN(Cc1ccccn1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737367057 600153728 /nfs/dbraw/zinc/15/37/28/600153728.db2.gz AOYVBNJGRQGYNP-UHFFFAOYSA-N -1 3 372.381 1.892 20 5 FDBDHM O=[N+]([O-])c1ccc(SC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000823645975 607462457 /nfs/dbraw/zinc/46/24/57/607462457.db2.gz YNJYTQVJGLGPGQ-GFCCVEGCSA-N -1 3 374.382 1.702 20 5 FDBDHM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)n1cccn1 ZINC000824046238 607524226 /nfs/dbraw/zinc/52/42/26/607524226.db2.gz RMIQVHRRKLZKAQ-SSDOTTSWSA-N -1 3 362.737 1.825 20 5 FDBDHM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)n1cccn1 ZINC000824046238 607524228 /nfs/dbraw/zinc/52/42/28/607524228.db2.gz RMIQVHRRKLZKAQ-SSDOTTSWSA-N -1 3 362.737 1.825 20 5 FDBDHM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000739012996 602263506 /nfs/dbraw/zinc/26/35/06/602263506.db2.gz XDYQEMWMDRSIHZ-DUVNUKRYSA-N -1 3 367.402 1.845 20 5 FDBDHM Cc1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000826304172 607572310 /nfs/dbraw/zinc/57/23/10/607572310.db2.gz AARGJROHDHKJLG-UHFFFAOYSA-N -1 3 361.339 1.851 20 5 FDBDHM CN(CCOc1ccc([N+](=O)[O-])cc1)CCN1CCN(C(=O)[O-])CC1 ZINC000739699560 602873815 /nfs/dbraw/zinc/87/38/15/602873815.db2.gz CDFNFAMPCGSUBD-UHFFFAOYSA-N -1 3 352.391 1.201 20 5 FDBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@](C)(CNC(=O)[O-])C1CC1 ZINC000830138728 605173202 /nfs/dbraw/zinc/17/32/02/605173202.db2.gz YXNCYWBMQPQVTO-INIZCTEOSA-N -1 3 350.375 1.868 20 5 FDBDHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000820503243 606230130 /nfs/dbraw/zinc/23/01/30/606230130.db2.gz ZIWFJQJGNBIFCN-MRVPVSSYSA-N -1 3 371.313 1.287 20 5 FDBDHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000820503243 606230132 /nfs/dbraw/zinc/23/01/32/606230132.db2.gz ZIWFJQJGNBIFCN-MRVPVSSYSA-N -1 3 371.313 1.287 20 5 FDBDHM CCNC(=O)[C@@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821277806 606448193 /nfs/dbraw/zinc/44/81/93/606448193.db2.gz ZPDDMHFUKRDMAO-MRVPVSSYSA-N -1 3 356.346 1.260 20 5 FDBDHM CCNC(=O)[C@@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821277806 606448196 /nfs/dbraw/zinc/44/81/96/606448196.db2.gz ZPDDMHFUKRDMAO-MRVPVSSYSA-N -1 3 356.346 1.260 20 5 FDBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCCNc1ccccc1[N+](=O)[O-] ZINC000823098497 606497927 /nfs/dbraw/zinc/49/79/27/606497927.db2.gz OHMITSKKEZYMEO-UHFFFAOYSA-N -1 3 367.369 1.546 20 5 FDBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCCNc1ccccc1[N+](=O)[O-] ZINC000823098497 606497929 /nfs/dbraw/zinc/49/79/29/606497929.db2.gz OHMITSKKEZYMEO-UHFFFAOYSA-N -1 3 367.369 1.546 20 5 FDBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000822649476 606622309 /nfs/dbraw/zinc/62/23/09/606622309.db2.gz CNDNSSATRUHORY-UHFFFAOYSA-N -1 3 364.325 1.914 20 5 FDBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000822649476 606622313 /nfs/dbraw/zinc/62/23/13/606622313.db2.gz CNDNSSATRUHORY-UHFFFAOYSA-N -1 3 364.325 1.914 20 5 FDBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1nc2cc(F)ccc2[nH]1 ZINC000823624786 606716182 /nfs/dbraw/zinc/71/61/82/606716182.db2.gz JLEXSKRLTJMYJX-UHFFFAOYSA-N -1 3 369.320 1.840 20 5 FDBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)Oc1ccccc1-c1nnn[n-]1 ZINC000823647092 606749530 /nfs/dbraw/zinc/74/95/30/606749530.db2.gz FFCVENPFFFLBIX-UHFFFAOYSA-N -1 3 361.339 1.684 20 5 FDBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)Oc1ccccc1-c1nn[n-]n1 ZINC000823647092 606749533 /nfs/dbraw/zinc/74/95/33/606749533.db2.gz FFCVENPFFFLBIX-UHFFFAOYSA-N -1 3 361.339 1.684 20 5 FDBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1[N+](=O)[O-] ZINC000823249659 606865075 /nfs/dbraw/zinc/86/50/75/606865075.db2.gz FPFCLLNKCSJOKK-UHFFFAOYSA-N -1 3 360.280 1.983 20 5 FDBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1[N+](=O)[O-] ZINC000823249659 606865076 /nfs/dbraw/zinc/86/50/76/606865076.db2.gz FPFCLLNKCSJOKK-UHFFFAOYSA-N -1 3 360.280 1.983 20 5 FDBDHM Nc1ccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822907299 606990235 /nfs/dbraw/zinc/99/02/35/606990235.db2.gz GNOUWGCXPOZWSA-UHFFFAOYSA-N -1 3 358.289 1.853 20 5 FDBDHM Nc1ccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822907299 606990236 /nfs/dbraw/zinc/99/02/36/606990236.db2.gz GNOUWGCXPOZWSA-UHFFFAOYSA-N -1 3 358.289 1.853 20 5 FDBDHM O=c1c([N+](=O)[O-])cn(Cc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000823657613 607170078 /nfs/dbraw/zinc/17/00/78/607170078.db2.gz SKTZXODZQWOOPZ-UHFFFAOYSA-N -1 3 361.249 1.032 20 5 FDBDHM O=c1c([N+](=O)[O-])cn(Cc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000823657613 607170079 /nfs/dbraw/zinc/17/00/79/607170079.db2.gz SKTZXODZQWOOPZ-UHFFFAOYSA-N -1 3 361.249 1.032 20 5 FDBDHM Cn1cnnc1C1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000826365782 607839834 /nfs/dbraw/zinc/83/98/34/607839834.db2.gz CUSCCQGXHBVRNV-UHFFFAOYSA-N -1 3 355.362 1.287 20 5 FDBDHM CC1(C2CCN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)CC2)OCCO1 ZINC000824817195 607842836 /nfs/dbraw/zinc/84/28/36/607842836.db2.gz MAXKDHPRLNFQNZ-UHFFFAOYSA-N -1 3 360.374 1.754 20 5 FDBDHM Cc1ccc(OC[C@H](O)COc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000826292380 607869481 /nfs/dbraw/zinc/86/94/81/607869481.db2.gz SPPUMULPTLKPLY-ZDUSSCGKSA-N -1 3 371.353 1.902 20 5 FDBDHM Cc1ccc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000826292380 607869482 /nfs/dbraw/zinc/86/94/82/607869482.db2.gz SPPUMULPTLKPLY-ZDUSSCGKSA-N -1 3 371.353 1.902 20 5 FDBDHM O=[N+]([O-])c1cccc(OC[C@H](O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826499684 607871044 /nfs/dbraw/zinc/87/10/44/607871044.db2.gz SEVMMWQHLPWVDG-CYBMUJFWSA-N -1 3 357.326 1.594 20 5 FDBDHM O=[N+]([O-])c1cccc(OC[C@H](O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826499684 607871045 /nfs/dbraw/zinc/87/10/45/607871045.db2.gz 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ZINC000821571750 606961049 /nfs/dbraw/zinc/96/10/49/606961049.db2.gz DAFSRHJQNXGQJN-UHFFFAOYSA-N -1 3 362.737 1.288 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000823629651 607034035 /nfs/dbraw/zinc/03/40/35/607034035.db2.gz DCQVSXSYXVLVQE-LBPRGKRZSA-N -1 3 372.307 1.915 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000823629651 607034036 /nfs/dbraw/zinc/03/40/36/607034036.db2.gz DCQVSXSYXVLVQE-LBPRGKRZSA-N -1 3 372.307 1.915 20 5 FDBDHM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1n1ccnc1 ZINC000820727043 607046731 /nfs/dbraw/zinc/04/67/31/607046731.db2.gz FUPFUZMPZSFWPE-GXFFZTMASA-N -1 3 355.362 1.454 20 5 FDBDHM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1n1ccnc1 ZINC000820727043 607046732 /nfs/dbraw/zinc/04/67/32/607046732.db2.gz FUPFUZMPZSFWPE-GXFFZTMASA-N -1 3 355.362 1.454 20 5 FDBDHM Cc1nn(CCC(=O)N(C)c2ccccc2-c2nnn[n-]2)c(C)c1[N+](=O)[O-] ZINC000826335009 607788777 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1.254 20 5 FDBDHM COc1ccc(CSCCn2cc([N+](=O)[O-])cn2)cc1-c1nnn[n-]1 ZINC000826207742 607984450 /nfs/dbraw/zinc/98/44/50/607984450.db2.gz BBCPIPKCWCRFNS-UHFFFAOYSA-N -1 3 361.387 1.913 20 5 FDBDHM COc1ccc(CSCCn2cc([N+](=O)[O-])cn2)cc1-c1nn[n-]n1 ZINC000826207742 607984451 /nfs/dbraw/zinc/98/44/51/607984451.db2.gz BBCPIPKCWCRFNS-UHFFFAOYSA-N -1 3 361.387 1.913 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)nc1 ZINC000826498712 608053779 /nfs/dbraw/zinc/05/37/79/608053779.db2.gz GLZRXIXIGSIWTC-CQSZACIVSA-N -1 3 353.342 1.748 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)nc1 ZINC000826498712 608053780 /nfs/dbraw/zinc/05/37/80/608053780.db2.gz GLZRXIXIGSIWTC-CQSZACIVSA-N -1 3 353.342 1.748 20 5 FDBDHM O=C(C[C@@H]1COC(=O)C1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826404677 608163382 /nfs/dbraw/zinc/16/33/82/608163382.db2.gz IPGNTGVDKRYCMD-LURJTMIESA-N -1 3 366.721 1.320 20 5 FDBDHM O=C(C[C@@H]1COC(=O)C1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826404677 608163384 /nfs/dbraw/zinc/16/33/84/608163384.db2.gz IPGNTGVDKRYCMD-LURJTMIESA-N -1 3 366.721 1.320 20 5 FDBDHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000826471960 608245019 /nfs/dbraw/zinc/24/50/19/608245019.db2.gz SJXVUBFKJWTJAH-HNNXBMFYSA-N -1 3 371.382 1.991 20 5 FDBDHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000826471960 608245020 /nfs/dbraw/zinc/24/50/20/608245020.db2.gz SJXVUBFKJWTJAH-HNNXBMFYSA-N -1 3 371.382 1.991 20 5 FDBDHM COc1cc(-c2nnn[n-]2)ccc1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000826173547 608264578 /nfs/dbraw/zinc/26/45/78/608264578.db2.gz IVLUHCNOWIRUSM-UHFFFAOYSA-N -1 3 368.309 1.740 20 5 FDBDHM COc1cc(-c2nn[n-]n2)ccc1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000826173547 608264579 /nfs/dbraw/zinc/26/45/79/608264579.db2.gz IVLUHCNOWIRUSM-UHFFFAOYSA-N -1 3 368.309 1.740 20 5 FDBDHM CCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376280 608336497 /nfs/dbraw/zinc/33/64/97/608336497.db2.gz FHJNHBGDXGYPIZ-SNVBAGLBSA-N -1 3 370.373 1.732 20 5 FDBDHM CCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376280 608336498 /nfs/dbraw/zinc/33/64/98/608336498.db2.gz FHJNHBGDXGYPIZ-SNVBAGLBSA-N -1 3 370.373 1.732 20 5 FDBDHM CCCN(CC(=O)NC)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825307655 608378868 /nfs/dbraw/zinc/37/88/68/608378868.db2.gz JXQPYQLGMWWQKH-UHFFFAOYSA-N -1 3 370.373 1.286 20 5 FDBDHM CCCN(CC(=O)NC)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825307655 608378870 /nfs/dbraw/zinc/37/88/70/608378870.db2.gz JXQPYQLGMWWQKH-UHFFFAOYSA-N -1 3 370.373 1.286 20 5 FDBDHM O=[N+]([O-])c1cnccc1NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826500616 609167106 /nfs/dbraw/zinc/16/71/06/609167106.db2.gz FLPBWNQNSHIUIV-UHFFFAOYSA-N -1 3 363.341 1.594 20 5 FDBDHM O=[N+]([O-])c1cnccc1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826500616 609167108 /nfs/dbraw/zinc/16/71/08/609167108.db2.gz FLPBWNQNSHIUIV-UHFFFAOYSA-N -1 3 363.341 1.594 20 5 FDBDHM Nc1cccc([N+](=O)[O-])c1C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826396260 609350036 /nfs/dbraw/zinc/35/00/36/609350036.db2.gz OSYOAUJUTNXDOB-UHFFFAOYSA-N -1 3 370.325 1.593 20 5 FDBDHM Nc1cccc([N+](=O)[O-])c1C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826396260 609350038 /nfs/dbraw/zinc/35/00/38/609350038.db2.gz OSYOAUJUTNXDOB-UHFFFAOYSA-N -1 3 370.325 1.593 20 5 FDBDHM Cc1ccc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cc1 ZINC000826290654 609595511 /nfs/dbraw/zinc/59/55/11/609595511.db2.gz UDQQXRJPYJZKDQ-UHFFFAOYSA-N -1 3 366.385 1.805 20 5 FDBDHM Cc1ccc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)cc1 ZINC000826290654 609595512 /nfs/dbraw/zinc/59/55/12/609595512.db2.gz UDQQXRJPYJZKDQ-UHFFFAOYSA-N -1 3 366.385 1.805 20 5 FDBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]N=c2nccc[nH]2)c1 ZINC000108759431 671617618 /nfs/dbraw/zinc/61/76/18/671617618.db2.gz WCSKWZBVSCWCSE-UHFFFAOYSA-N -1 3 374.176 1.453 20 5 FDBDHM CC(C)(C)[C@@H](O)C[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000284583751 675730787 /nfs/dbraw/zinc/73/07/87/675730787.db2.gz HFTANSOCDIWHEQ-ZANVPECISA-N -1 3 364.395 1.170 20 5 FDBDHM COc1cc(CNc2nnc(-c3nccn3C)s2)c([N+](=O)[O-])cc1[O-] ZINC000363825635 676974988 /nfs/dbraw/zinc/97/49/88/676974988.db2.gz RKTSGIUZQZOPAH-UHFFFAOYSA-N -1 3 362.371 2.173 20 5 FDBDHM O=C1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]2CCCCN12 ZINC000376608600 678344996 /nfs/dbraw/zinc/34/49/96/678344996.db2.gz FTFIXWKSUYHSKW-NEPJUHHUSA-N -1 3 357.363 1.166 20 5 FDBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H](O)C(F)F ZINC000416412555 679611821 /nfs/dbraw/zinc/61/18/21/679611821.db2.gz ABMOPOLKNUNAAZ-SSDOTTSWSA-N -1 3 364.248 1.518 20 5 FDBDHM COCC[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416522648 679646398 /nfs/dbraw/zinc/64/63/98/679646398.db2.gz JKBCGDPKDXREAS-VIFPVBQESA-N -1 3 372.321 1.289 20 5 FDBDHM COC(=O)c1cnc(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[n-]1 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GUIYZSIYFVUAJL-UHFFFAOYSA-N -1 3 350.718 1.717 20 5 FDBDHM Cc1ncc(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC000574075269 694912211 /nfs/dbraw/zinc/91/22/11/694912211.db2.gz KFVKLHYJFHELCS-UHFFFAOYSA-N -1 3 352.372 1.061 20 5 FDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)[C@H](O)C(F)(F)F)c1C ZINC001213349249 775935951 /nfs/dbraw/zinc/93/59/51/775935951.db2.gz WDYUWNFTCIQCNB-KCJUWKMLSA-N -1 3 356.322 1.802 20 5 FDBDHM NC(=O)c1ccc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c([N+](=O)[O-])c1 ZINC000436815071 816742018 /nfs/dbraw/zinc/74/20/18/816742018.db2.gz UJMHAOSVHWSBJB-UHFFFAOYSA-N -1 3 370.365 1.362 20 5 FDBDHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@@H]3CCCCN3C2=O)c(F)cc1[N+](=O)[O-] ZINC001212077386 837028507 /nfs/dbraw/zinc/02/85/07/837028507.db2.gz MHPMWSCCCCDYDW-JQWIXIFHSA-N -1 3 371.390 1.474 20 5 FDBDHM O=C(Nc1ccc(CN2CCOC2=O)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000918353742 884357726 /nfs/dbraw/zinc/35/77/26/884357726.db2.gz GFFGVPPPBOEIEA-UHFFFAOYSA-N -1 3 358.310 1.900 20 5 FDBDHM CN1CC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000921413004 887912069 /nfs/dbraw/zinc/91/20/69/887912069.db2.gz AUHKGVOIRAKFGI-VIFPVBQESA-N -1 3 353.322 1.596 20 5 FDBDHM CCNC(=O)COc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000509396809 889238399 /nfs/dbraw/zinc/23/83/99/889238399.db2.gz NBSVNGKUXZSEGN-UHFFFAOYSA-N -1 3 360.326 1.463 20 5 FDBDHM CCOC(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000741755290 925852044 /nfs/dbraw/zinc/85/20/44/925852044.db2.gz BKLYEBPPUCEOBF-UHFFFAOYSA-N -1 3 367.177 1.199 20 5 FDBDHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000770118436 929865167 /nfs/dbraw/zinc/86/51/67/929865167.db2.gz WCTSYWPLPYWYSN-CYBMUJFWSA-N -1 3 358.416 1.644 20 5 FDBDHM O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCN(C2CC2)CC1 ZINC000805909725 938845571 /nfs/dbraw/zinc/84/55/71/938845571.db2.gz HQANJFXJHQGMFR-UHFFFAOYSA-N -1 3 371.390 1.413 20 5 FDBDHM O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCc2c(=O)[n-]cnc21 ZINC001132573843 941086169 /nfs/dbraw/zinc/08/61/69/941086169.db2.gz WTNBDHGMMPUECJ-UHFFFAOYSA-N -1 3 366.337 1.869 20 5 FDBDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(N)=O ZINC001195387780 970928559 /nfs/dbraw/zinc/92/85/59/970928559.db2.gz UGGWMFDJAIWTQW-LLVKDONJSA-N -1 3 369.321 1.546 20 5 FDBDHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)ccc1F ZINC000819900012 943794128 /nfs/dbraw/zinc/79/41/28/943794128.db2.gz YGHUPXQWRKTCIS-UHFFFAOYSA-N -1 3 368.346 1.477 20 5 FDBDHM COc1cc(-c2nnn[n-]2)ccc1OC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826175213 947541782 /nfs/dbraw/zinc/54/17/82/947541782.db2.gz WYNZWAPJDJTVGO-ZDUSSCGKSA-N -1 3 357.326 1.896 20 5 FDBDHM COc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826175213 947541788 /nfs/dbraw/zinc/54/17/88/947541788.db2.gz WYNZWAPJDJTVGO-ZDUSSCGKSA-N -1 3 357.326 1.896 20 5 FDBDHM O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001144501855 949705027 /nfs/dbraw/zinc/70/50/27/949705027.db2.gz 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364.807 1.314 20 5 FDBDHM CN(C)C(=O)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736745008 598945744 /nfs/dbraw/zinc/94/57/44/598945744.db2.gz FLYGDHUGJPOYND-WDEREUQCSA-N -1 3 359.390 1.834 20 5 FDBDHM CN(C)C(=O)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736745008 598945746 /nfs/dbraw/zinc/94/57/46/598945746.db2.gz FLYGDHUGJPOYND-WDEREUQCSA-N -1 3 359.390 1.834 20 5 FDBDHM O=[N+]([O-])c1cnc(NC[C@H](O)c2ccccc2Cl)c(-c2nnn[n-]2)c1 ZINC000738374927 598974630 /nfs/dbraw/zinc/97/46/30/598974630.db2.gz SYCZWTLUKSTBQG-LBPRGKRZSA-N -1 3 361.749 1.969 20 5 FDBDHM O=[N+]([O-])c1cnc(NC[C@H](O)c2ccccc2Cl)c(-c2nn[n-]n2)c1 ZINC000738374927 598974632 /nfs/dbraw/zinc/97/46/32/598974632.db2.gz SYCZWTLUKSTBQG-LBPRGKRZSA-N -1 3 361.749 1.969 20 5 FDBDHM Cc1nn(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(C)c1[N+](=O)[O-] ZINC000737521009 599158663 /nfs/dbraw/zinc/15/86/63/599158663.db2.gz HCMWMQUUEGWZCH-UHFFFAOYSA-N -1 3 367.329 1.687 20 5 FDBDHM Cc1nn(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(C)c1[N+](=O)[O-] ZINC000737521009 599158667 /nfs/dbraw/zinc/15/86/67/599158667.db2.gz HCMWMQUUEGWZCH-UHFFFAOYSA-N -1 3 367.329 1.687 20 5 FDBDHM COCCN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989009 599205751 /nfs/dbraw/zinc/20/57/51/599205751.db2.gz UIZACGWXRHXAKW-UHFFFAOYSA-N -1 3 358.314 1.661 20 5 FDBDHM COCCN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989009 599205752 /nfs/dbraw/zinc/20/57/52/599205752.db2.gz UIZACGWXRHXAKW-UHFFFAOYSA-N -1 3 358.314 1.661 20 5 FDBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000823214789 599236934 /nfs/dbraw/zinc/23/69/34/599236934.db2.gz APDCOPWMUCXSQI-UHFFFAOYSA-N -1 3 369.341 1.975 20 5 FDBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1F ZINC000738101084 598300779 /nfs/dbraw/zinc/30/07/79/598300779.db2.gz FIWHOAYOJLSPMN-UHFFFAOYSA-N -1 3 360.280 1.983 20 5 FDBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])cc1F ZINC000738101084 598300781 /nfs/dbraw/zinc/30/07/81/598300781.db2.gz FIWHOAYOJLSPMN-UHFFFAOYSA-N -1 3 360.280 1.983 20 5 FDBDHM O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737918865 598304989 /nfs/dbraw/zinc/30/49/89/598304989.db2.gz AKYPBRPXSVESCY-UHFFFAOYSA-N -1 3 372.316 1.609 20 5 FDBDHM O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737918865 598304991 /nfs/dbraw/zinc/30/49/91/598304991.db2.gz AKYPBRPXSVESCY-UHFFFAOYSA-N -1 3 372.316 1.609 20 5 FDBDHM CNc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000736887793 598308797 /nfs/dbraw/zinc/30/87/97/598308797.db2.gz RCLJFAQJLRTWIK-UHFFFAOYSA-N -1 3 371.332 1.886 20 5 FDBDHM CNc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000736887793 598308799 /nfs/dbraw/zinc/30/87/99/598308799.db2.gz RCLJFAQJLRTWIK-UHFFFAOYSA-N -1 3 371.332 1.886 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(Nc2cccnn2)CC1 ZINC000738360436 598335220 /nfs/dbraw/zinc/33/52/20/598335220.db2.gz WUDNUHMJJWBKIT-UHFFFAOYSA-N -1 3 367.373 1.646 20 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ZINC000735582227 598358902 /nfs/dbraw/zinc/35/89/02/598358902.db2.gz IZFJGBXMUNQLJB-UHFFFAOYSA-N -1 3 357.330 1.450 20 5 FDBDHM CC(C)(C(=O)OCc1ccccc1-c1nn[n-]n1)n1cc([N+](=O)[O-])cn1 ZINC000735582227 598358903 /nfs/dbraw/zinc/35/89/03/598358903.db2.gz IZFJGBXMUNQLJB-UHFFFAOYSA-N -1 3 357.330 1.450 20 5 FDBDHM Cc1cccc([N+](=O)[O-])c1N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000737411819 598368341 /nfs/dbraw/zinc/36/83/41/598368341.db2.gz PPOWABTWYMSQMV-UHFFFAOYSA-N -1 3 366.385 1.805 20 5 FDBDHM Cc1cccc([N+](=O)[O-])c1N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000737411819 598368343 /nfs/dbraw/zinc/36/83/43/598368343.db2.gz PPOWABTWYMSQMV-UHFFFAOYSA-N -1 3 366.385 1.805 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCO[C@H](c3ccccc3F)C2)c(-c2nnn[n-]2)c1 ZINC000738367963 598458396 /nfs/dbraw/zinc/45/83/96/598458396.db2.gz ADDUHXQAPFFKEJ-AWEZNQCLSA-N -1 3 371.332 1.887 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCO[C@H](c3ccccc3F)C2)c(-c2nn[n-]n2)c1 ZINC000738367963 598458397 /nfs/dbraw/zinc/45/83/97/598458397.db2.gz ADDUHXQAPFFKEJ-AWEZNQCLSA-N -1 3 371.332 1.887 20 5 FDBDHM O=C(OCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738222993 598482091 /nfs/dbraw/zinc/48/20/91/598482091.db2.gz RJBUWDYDSIWJSK-UHFFFAOYSA-N -1 3 356.298 1.406 20 5 FDBDHM O=C(OCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738222993 598482092 /nfs/dbraw/zinc/48/20/92/598482092.db2.gz RJBUWDYDSIWJSK-UHFFFAOYSA-N -1 3 356.298 1.406 20 5 FDBDHM CC(C)c1nc2n(n1)C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC000735942260 598501978 /nfs/dbraw/zinc/50/19/78/598501978.db2.gz GTEZQYREXDVHDS-VIFPVBQESA-N -1 3 370.377 1.312 20 5 FDBDHM CC(C)c1nc2n(n1)C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)CC2 ZINC000735942260 598501979 /nfs/dbraw/zinc/50/19/79/598501979.db2.gz GTEZQYREXDVHDS-VIFPVBQESA-N -1 3 370.377 1.312 20 5 FDBDHM CC(C)(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)n1cc([N+](=O)[O-])cn1 ZINC000735581211 598583223 /nfs/dbraw/zinc/58/32/23/598583223.db2.gz PZLDREBQHAKVDE-UHFFFAOYSA-N -1 3 360.309 1.484 20 5 FDBDHM CC(C)(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)n1cc([N+](=O)[O-])cn1 ZINC000735581211 598583225 /nfs/dbraw/zinc/58/32/25/598583225.db2.gz PZLDREBQHAKVDE-UHFFFAOYSA-N -1 3 360.309 1.484 20 5 FDBDHM COc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)c([N+](=O)[O-])cc1OC ZINC000737043427 598660329 /nfs/dbraw/zinc/66/03/29/598660329.db2.gz UXGJLEDFMVIEEK-UHFFFAOYSA-N -1 3 371.313 1.439 20 5 FDBDHM COc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)c([N+](=O)[O-])cc1OC ZINC000737043427 598660331 /nfs/dbraw/zinc/66/03/31/598660331.db2.gz UXGJLEDFMVIEEK-UHFFFAOYSA-N -1 3 371.313 1.439 20 5 FDBDHM COc1cccc([C@H](O)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737125376 598678373 /nfs/dbraw/zinc/67/83/73/598678373.db2.gz CYAYDQNWZIMXOS-OAHLLOKOSA-N -1 3 356.342 1.929 20 5 FDBDHM COc1cccc([C@H](O)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737125376 598678376 /nfs/dbraw/zinc/67/83/76/598678376.db2.gz CYAYDQNWZIMXOS-OAHLLOKOSA-N -1 3 356.342 1.929 20 5 FDBDHM O=C([C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1)N1CCCC1 ZINC000737791814 598682305 /nfs/dbraw/zinc/68/23/05/598682305.db2.gz LKAPRIZXYYPDCB-GFCCVEGCSA-N -1 3 371.401 1.614 20 5 FDBDHM O=C([C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1)N1CCCC1 ZINC000737791814 598682308 /nfs/dbraw/zinc/68/23/08/598682308.db2.gz LKAPRIZXYYPDCB-GFCCVEGCSA-N -1 3 371.401 1.614 20 5 FDBDHM Nc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737775679 598706786 /nfs/dbraw/zinc/70/67/86/598706786.db2.gz AIEKCRXELMEXOX-UHFFFAOYSA-N -1 3 358.289 1.853 20 5 FDBDHM Nc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737775679 598706788 /nfs/dbraw/zinc/70/67/88/598706788.db2.gz AIEKCRXELMEXOX-UHFFFAOYSA-N -1 3 358.289 1.853 20 5 FDBDHM O=C(OCCNc1ncccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000738222296 598736378 /nfs/dbraw/zinc/73/63/78/598736378.db2.gz DRVRQWXBGMXRRO-UHFFFAOYSA-N -1 3 355.314 1.439 20 5 FDBDHM O=C(OCCNc1ncccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000738222296 598736380 /nfs/dbraw/zinc/73/63/80/598736380.db2.gz DRVRQWXBGMXRRO-UHFFFAOYSA-N -1 3 355.314 1.439 20 5 FDBDHM O=C1CCCCN1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000738302889 598773848 /nfs/dbraw/zinc/77/38/48/598773848.db2.gz OKCZHOKNLAGMEZ-LLVKDONJSA-N -1 3 372.389 1.151 20 5 FDBDHM O=C1CCCCN1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000738302889 598773851 /nfs/dbraw/zinc/77/38/51/598773851.db2.gz OKCZHOKNLAGMEZ-LLVKDONJSA-N -1 3 372.389 1.151 20 5 FDBDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000736634149 598818844 /nfs/dbraw/zinc/81/88/44/598818844.db2.gz IYBINOOCJIQIJO-UHFFFAOYSA-N -1 3 358.318 1.457 20 5 FDBDHM O=[N+]([O-])c1cnc(Sc2nnnn2-c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738374955 599318000 /nfs/dbraw/zinc/31/80/00/599318000.db2.gz UZUNTFIIHZWJIF-UHFFFAOYSA-N -1 3 368.342 1.297 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCN(c3ccc(O)cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000738368684 599324915 /nfs/dbraw/zinc/32/49/15/599324915.db2.gz INCVTMYJSVORMK-UHFFFAOYSA-N -1 3 368.357 1.202 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCN(c3ccc(O)cc3)CC2)c(-c2nn[n-]n2)c1 ZINC000738368684 599324917 /nfs/dbraw/zinc/32/49/17/599324917.db2.gz INCVTMYJSVORMK-UHFFFAOYSA-N -1 3 368.357 1.202 20 5 FDBDHM O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccncc1-c1nnn[n-]1 ZINC000737948806 599387789 /nfs/dbraw/zinc/38/77/89/599387789.db2.gz ZIOJSBWYGMKUCV-UHFFFAOYSA-N -1 3 357.355 1.323 20 5 FDBDHM O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccncc1-c1nn[n-]n1 ZINC000737948806 599387792 /nfs/dbraw/zinc/38/77/92/599387792.db2.gz ZIOJSBWYGMKUCV-UHFFFAOYSA-N -1 3 357.355 1.323 20 5 FDBDHM COCCOCCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821693023 599467548 /nfs/dbraw/zinc/46/75/48/599467548.db2.gz ODYDVEXXPGACAV-UHFFFAOYSA-N -1 3 373.373 1.788 20 5 FDBDHM COCCOCCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821693023 599467549 /nfs/dbraw/zinc/46/75/49/599467549.db2.gz ODYDVEXXPGACAV-UHFFFAOYSA-N -1 3 373.373 1.788 20 5 FDBDHM CCCc1n[nH]c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000821139176 599519441 /nfs/dbraw/zinc/51/94/41/599519441.db2.gz QVXPURBURHXMPO-SECBINFHSA-N -1 3 370.373 1.942 20 5 FDBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H](CCO)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645983 599530070 /nfs/dbraw/zinc/53/00/70/599530070.db2.gz YXZNRGTTXQHMGB-LLVKDONJSA-N -1 3 369.385 1.922 20 5 FDBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H](CCO)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645983 599530072 /nfs/dbraw/zinc/53/00/72/599530072.db2.gz YXZNRGTTXQHMGB-LLVKDONJSA-N -1 3 369.385 1.922 20 5 FDBDHM O=[N+]([O-])c1ccc(Nc2cnn(-c3ncccn3)c2)c(-c2nnn[n-]2)c1 ZINC000738367285 599536614 /nfs/dbraw/zinc/53/66/14/599536614.db2.gz PHTMRRFWFOBNFE-UHFFFAOYSA-N -1 3 350.302 1.494 20 5 FDBDHM O=[N+]([O-])c1ccc(Nc2cnn(-c3ncccn3)c2)c(-c2nn[n-]n2)c1 ZINC000738367285 599536618 /nfs/dbraw/zinc/53/66/18/599536618.db2.gz PHTMRRFWFOBNFE-UHFFFAOYSA-N -1 3 350.302 1.494 20 5 FDBDHM CC[S@](=O)CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821447756 599546837 /nfs/dbraw/zinc/54/68/37/599546837.db2.gz KPTZOXIOINTNSV-VWLOTQADSA-N -1 3 361.387 1.504 20 5 FDBDHM CC[S@](=O)CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821447756 599546839 /nfs/dbraw/zinc/54/68/39/599546839.db2.gz KPTZOXIOINTNSV-VWLOTQADSA-N -1 3 361.387 1.504 20 5 FDBDHM COC[C@@](C)(O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821682040 599553165 /nfs/dbraw/zinc/55/31/65/599553165.db2.gz YHQOSDBTOWXZOA-HNNXBMFYSA-N -1 3 359.346 1.132 20 5 FDBDHM COC[C@@](C)(O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821682040 599553167 /nfs/dbraw/zinc/55/31/67/599553167.db2.gz YHQOSDBTOWXZOA-HNNXBMFYSA-N -1 3 359.346 1.132 20 5 FDBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(CCC(=O)[O-])C1CCOCC1 ZINC000832905696 601047879 /nfs/dbraw/zinc/04/78/79/601047879.db2.gz PKIDJSVHOXOMCS-UHFFFAOYSA-N -1 3 365.386 1.797 20 5 FDBDHM COc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826197539 607584212 /nfs/dbraw/zinc/58/42/12/607584212.db2.gz STVMJGXARIRQDZ-UHFFFAOYSA-N -1 3 368.353 1.642 20 5 FDBDHM COc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826197539 607584213 /nfs/dbraw/zinc/58/42/13/607584213.db2.gz STVMJGXARIRQDZ-UHFFFAOYSA-N -1 3 368.353 1.642 20 5 FDBDHM Cc1cccc(S(=O)(=O)NCc2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826303616 607591147 /nfs/dbraw/zinc/59/11/47/607591147.db2.gz WZXCZIWMZKQIJY-UHFFFAOYSA-N -1 3 374.382 1.562 20 5 FDBDHM Cc1cccc(S(=O)(=O)NCc2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826303616 607591148 /nfs/dbraw/zinc/59/11/48/607591148.db2.gz WZXCZIWMZKQIJY-UHFFFAOYSA-N -1 3 374.382 1.562 20 5 FDBDHM Cc1c(OS(=O)(=O)c2ccccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826242667 607592354 /nfs/dbraw/zinc/59/23/54/607592354.db2.gz AGLRULFFMNOFGX-UHFFFAOYSA-N -1 3 361.339 1.851 20 5 FDBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](N(C)C(=O)[O-])C1 ZINC000829225163 603847043 /nfs/dbraw/zinc/84/70/43/603847043.db2.gz ONZQXNKYSYJWTD-LBPRGKRZSA-N -1 3 366.374 1.616 20 5 FDBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000825637127 604036043 /nfs/dbraw/zinc/03/60/43/604036043.db2.gz ALPGWNGQKXYIKB-CHWSQXEVSA-N -1 3 364.402 1.752 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](OCc3ccncc3)C2)c(-c2nnn[n-]2)c1 ZINC000826499144 607729111 /nfs/dbraw/zinc/72/91/11/607729111.db2.gz XHDDOQFYNWQGFW-CQSZACIVSA-N -1 3 367.369 1.965 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](OCc3ccncc3)C2)c(-c2nn[n-]n2)c1 ZINC000826499144 607729113 /nfs/dbraw/zinc/72/91/13/607729113.db2.gz XHDDOQFYNWQGFW-CQSZACIVSA-N -1 3 367.369 1.965 20 5 FDBDHM COC(=O)c1cc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)cc([N+](=O)[O-])c1 ZINC000821668296 606254800 /nfs/dbraw/zinc/25/48/00/606254800.db2.gz ZIQAAHWEZLKLPW-UHFFFAOYSA-N -1 3 371.313 1.152 20 5 FDBDHM COC(=O)c1cc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)cc([N+](=O)[O-])c1 ZINC000821668296 606254803 /nfs/dbraw/zinc/25/48/03/606254803.db2.gz ZIQAAHWEZLKLPW-UHFFFAOYSA-N -1 3 371.313 1.152 20 5 FDBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000821123001 606281624 /nfs/dbraw/zinc/28/16/24/606281624.db2.gz GQTIEOUUIFLQBD-UHFFFAOYSA-N -1 3 371.361 1.432 20 5 FDBDHM C[S@](=O)c1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821942101 606430228 /nfs/dbraw/zinc/43/02/28/606430228.db2.gz LAQKYCSHUOYKPF-VWLOTQADSA-N -1 3 359.371 1.519 20 5 FDBDHM C[S@](=O)c1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821942101 606430230 /nfs/dbraw/zinc/43/02/30/606430230.db2.gz LAQKYCSHUOYKPF-VWLOTQADSA-N -1 3 359.371 1.519 20 5 FDBDHM C[C@H](N1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC000820307552 606471835 /nfs/dbraw/zinc/47/18/35/606471835.db2.gz NQWUYHSDUIWZBF-VIFPVBQESA-N -1 3 371.323 1.848 20 5 FDBDHM C[C@H](N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC000820307552 606471837 /nfs/dbraw/zinc/47/18/37/606471837.db2.gz NQWUYHSDUIWZBF-VIFPVBQESA-N -1 3 371.323 1.848 20 5 FDBDHM Cc1nc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000822449532 606608271 /nfs/dbraw/zinc/60/82/71/606608271.db2.gz COLQOGZZUBTRMM-SNVBAGLBSA-N -1 3 369.341 1.884 20 5 FDBDHM CCOC(=O)c1cc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cn1C ZINC000821337880 606720433 /nfs/dbraw/zinc/72/04/33/606720433.db2.gz QDVLKHLRGOEBRJ-UHFFFAOYSA-N -1 3 358.318 1.429 20 5 FDBDHM CCOC(=O)c1cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1C ZINC000821337880 606720434 /nfs/dbraw/zinc/72/04/34/606720434.db2.gz QDVLKHLRGOEBRJ-UHFFFAOYSA-N -1 3 358.318 1.429 20 5 FDBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ncccc3F)C2)c(-c2nnn[n-]2)c1 ZINC000823639966 606730489 /nfs/dbraw/zinc/73/04/89/606730489.db2.gz NSPGUAQQMPHWLX-SNVBAGLBSA-N -1 3 370.348 2.000 20 5 FDBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ncccc3F)C2)c(-c2nn[n-]n2)c1 ZINC000823639966 606730491 /nfs/dbraw/zinc/73/04/91/606730491.db2.gz NSPGUAQQMPHWLX-SNVBAGLBSA-N -1 3 370.348 2.000 20 5 FDBDHM Nc1c(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000822902440 607087886 /nfs/dbraw/zinc/08/78/86/607087886.db2.gz BSPXNDRRLXQLII-UHFFFAOYSA-N -1 3 358.289 1.853 20 5 FDBDHM Nc1c(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000822902440 607087887 /nfs/dbraw/zinc/08/78/87/607087887.db2.gz BSPXNDRRLXQLII-UHFFFAOYSA-N 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Cc1cccc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000826300218 607869596 /nfs/dbraw/zinc/86/95/96/607869596.db2.gz MPQDPSCWQROGLM-ZDUSSCGKSA-N -1 3 371.353 1.902 20 5 FDBDHM Cc1ccc(OC[C@H](O)COc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1 ZINC000826292158 607876594 /nfs/dbraw/zinc/87/65/94/607876594.db2.gz KKEQERZQFFOHKH-LBPRGKRZSA-N -1 3 371.353 1.902 20 5 FDBDHM Cc1ccc(OC[C@H](O)COc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1 ZINC000826292158 607876595 /nfs/dbraw/zinc/87/65/95/607876595.db2.gz KKEQERZQFFOHKH-LBPRGKRZSA-N -1 3 371.353 1.902 20 5 FDBDHM O=[N+]([O-])c1cccc([C@@H](O)COc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC000826499792 607876816 /nfs/dbraw/zinc/87/68/16/607876816.db2.gz XNWPNMNKHPBIFS-ZDUSSCGKSA-N -1 3 372.297 1.796 20 5 FDBDHM O=[N+]([O-])c1cccc([C@@H](O)COc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC000826499792 607876817 /nfs/dbraw/zinc/87/68/17/607876817.db2.gz XNWPNMNKHPBIFS-ZDUSSCGKSA-N -1 3 372.297 1.796 20 5 FDBDHM CN(C)c1ccc([N+](=O)[O-])c(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825879294 607878235 /nfs/dbraw/zinc/87/82/35/607878235.db2.gz KGGIHZJKCOMSCU-OAHLLOKOSA-N -1 3 370.369 1.953 20 5 FDBDHM CN(C)c1ccc([N+](=O)[O-])c(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825879294 607878236 /nfs/dbraw/zinc/87/82/36/607878236.db2.gz KGGIHZJKCOMSCU-OAHLLOKOSA-N -1 3 370.369 1.953 20 5 FDBDHM NC(=O)[C@@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826388701 607903343 /nfs/dbraw/zinc/90/33/43/607903343.db2.gz HHUNWSYXCUOCED-CYBMUJFWSA-N -1 3 353.342 1.283 20 5 FDBDHM NC(=O)[C@@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826388701 607903344 /nfs/dbraw/zinc/90/33/44/607903344.db2.gz HHUNWSYXCUOCED-CYBMUJFWSA-N -1 3 353.342 1.283 20 5 FDBDHM O=C(COc1ccccc1-c1nnn[n-]1)NCCc1cccc([N+](=O)[O-])c1 ZINC000826419345 608005013 /nfs/dbraw/zinc/00/50/13/608005013.db2.gz SVLPJTUREMKYGZ-UHFFFAOYSA-N -1 3 368.353 1.513 20 5 FDBDHM O=C(COc1ccccc1-c1nn[n-]n1)NCCc1cccc([N+](=O)[O-])c1 ZINC000826419345 608005014 /nfs/dbraw/zinc/00/50/14/608005014.db2.gz SVLPJTUREMKYGZ-UHFFFAOYSA-N -1 3 368.353 1.513 20 5 FDBDHM NC(=O)c1[nH]nc2ccc(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])cc21 ZINC000826393742 608018964 /nfs/dbraw/zinc/01/89/64/608018964.db2.gz HMBQOUUJTYOAFJ-UHFFFAOYSA-N -1 3 365.313 1.494 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)nc1 ZINC000826498711 608052923 /nfs/dbraw/zinc/05/29/23/608052923.db2.gz GLZRXIXIGSIWTC-AWEZNQCLSA-N -1 3 353.342 1.748 20 5 FDBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)nc1 ZINC000826498711 608052924 /nfs/dbraw/zinc/05/29/24/608052924.db2.gz GLZRXIXIGSIWTC-AWEZNQCLSA-N -1 3 353.342 1.748 20 5 FDBDHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826471465 608121873 /nfs/dbraw/zinc/12/18/73/608121873.db2.gz AJNHUIFGDXOTRE-UHFFFAOYSA-N -1 3 365.353 1.975 20 5 FDBDHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826471465 608121874 /nfs/dbraw/zinc/12/18/74/608121874.db2.gz AJNHUIFGDXOTRE-UHFFFAOYSA-N -1 3 365.353 1.975 20 5 FDBDHM O=C(NCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])NC1CCCCC1 ZINC000826438339 608194110 /nfs/dbraw/zinc/19/41/10/608194110.db2.gz YQOPUEXKPFBLKA-UHFFFAOYSA-N -1 3 374.405 1.819 20 5 FDBDHM O=C(NCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])NC1CCCCC1 ZINC000826438339 608194112 /nfs/dbraw/zinc/19/41/12/608194112.db2.gz YQOPUEXKPFBLKA-UHFFFAOYSA-N -1 3 374.405 1.819 20 5 FDBDHM Cn1cc([N+](=O)[O-])c(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826362820 608255852 /nfs/dbraw/zinc/25/58/52/608255852.db2.gz JUWHLBGLERGSGL-UHFFFAOYSA-N -1 3 373.329 1.134 20 5 FDBDHM Cn1cc([N+](=O)[O-])c(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826362820 608255853 /nfs/dbraw/zinc/25/58/53/608255853.db2.gz JUWHLBGLERGSGL-UHFFFAOYSA-N -1 3 373.329 1.134 20 5 FDBDHM Cn1ncc([N+](=O)[O-])c1C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000826366669 608376446 /nfs/dbraw/zinc/37/64/46/608376446.db2.gz SQGSZOIATVJCIE-UHFFFAOYSA-N -1 3 368.313 1.118 20 5 FDBDHM Cn1ncc([N+](=O)[O-])c1C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000826366669 608376448 /nfs/dbraw/zinc/37/64/48/608376448.db2.gz SQGSZOIATVJCIE-UHFFFAOYSA-N -1 3 368.313 1.118 20 5 FDBDHM O=[N+]([O-])c1ccc(NCCC2CCS(=O)(=O)CC2)c(-c2nnn[n-]2)c1 ZINC000826498934 608553041 /nfs/dbraw/zinc/55/30/41/608553041.db2.gz OTSUZVCIYBYYAZ-UHFFFAOYSA-N -1 3 366.403 1.402 20 5 FDBDHM O=[N+]([O-])c1ccc(NCCC2CCS(=O)(=O)CC2)c(-c2nn[n-]n2)c1 ZINC000826498934 608553043 /nfs/dbraw/zinc/55/30/43/608553043.db2.gz OTSUZVCIYBYYAZ-UHFFFAOYSA-N -1 3 366.403 1.402 20 5 FDBDHM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826272387 609163532 /nfs/dbraw/zinc/16/35/32/609163532.db2.gz GRAPNDWCXVUBFK-UHFFFAOYSA-N -1 3 358.314 1.647 20 5 FDBDHM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826272387 609163533 /nfs/dbraw/zinc/16/35/33/609163533.db2.gz GRAPNDWCXVUBFK-UHFFFAOYSA-N -1 3 358.314 1.647 20 5 FDBDHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000826398607 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ZINC000500649488 688116787 /nfs/dbraw/zinc/11/67/87/688116787.db2.gz IDEBDIGCDKQQTK-UHFFFAOYSA-N -1 3 356.400 1.543 20 5 FDBDHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000510448022 689380132 /nfs/dbraw/zinc/38/01/32/689380132.db2.gz ODTUXSWXKUWFRO-CYBMUJFWSA-N -1 3 354.363 1.897 20 5 FDBDHM CC(C)N1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1=O ZINC000523410395 694525854 /nfs/dbraw/zinc/52/58/54/694525854.db2.gz NXAQOFAEPINYBL-JTQLQIEISA-N -1 3 361.807 1.536 20 5 FDBDHM O=C1OCCN1CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000728295756 774276896 /nfs/dbraw/zinc/27/68/96/774276896.db2.gz BDYBBEJQUXBHNS-UHFFFAOYSA-N -1 3 363.779 1.369 20 5 FDBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000427144324 818721273 /nfs/dbraw/zinc/72/12/73/818721273.db2.gz SOOFHSORTYPUSB-UHFFFAOYSA-N -1 3 356.298 1.542 20 5 FDBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000520352119 830948291 /nfs/dbraw/zinc/94/82/91/830948291.db2.gz HUHNBZQITGVJIB-UHFFFAOYSA-N -1 3 368.309 1.434 20 5 FDBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000520352119 830948295 /nfs/dbraw/zinc/94/82/95/830948295.db2.gz HUHNBZQITGVJIB-UHFFFAOYSA-N -1 3 368.309 1.434 20 5 FDBDHM CNc1c(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cccc1[N+](=O)[O-] ZINC000461631372 843094283 /nfs/dbraw/zinc/09/42/83/843094283.db2.gz OKJKFMWJTPDKAJ-UHFFFAOYSA-N -1 3 371.353 1.785 20 5 FDBDHM CO[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCSC1 ZINC000921403680 887851900 /nfs/dbraw/zinc/85/19/00/887851900.db2.gz DEXLEBRJYJTMOB-LBPRGKRZSA-N -1 3 350.393 1.534 20 5 FDBDHM CNc1c(C(=O)OCC(=O)[N-]C(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000765519653 907432485 /nfs/dbraw/zinc/43/24/85/907432485.db2.gz URYJRFDBXVBASM-UHFFFAOYSA-N -1 3 363.351 1.811 20 5 FDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](OC)C(F)(F)F ZINC000733321511 920976823 /nfs/dbraw/zinc/97/68/23/920976823.db2.gz DLLSAWVIPSWZEC-JTQLQIEISA-N -1 3 358.294 1.459 20 5 FDBDHM CCOCCS(=O)(=O)[N-]CC(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000767375871 929247122 /nfs/dbraw/zinc/24/71/22/929247122.db2.gz WIGDTLYDKCFPIW-NSHDSACASA-N -1 3 360.388 1.155 20 5 FDBDHM O=C([N-]Cc1nnnn1CC1CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000770081927 929827488 /nfs/dbraw/zinc/82/74/88/929827488.db2.gz JLOKIFCELUNLQR-UHFFFAOYSA-N -1 3 352.301 1.400 20 5 FDBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000808145936 940522168 /nfs/dbraw/zinc/52/21/68/940522168.db2.gz VCMCBZBHQTYUPQ-NXEZZACHSA-N -1 3 373.369 1.671 20 5 FDBDHM Cn1c2cc([O-])c(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)cc2n(C)c1=O ZINC000812382562 941197388 /nfs/dbraw/zinc/19/73/88/941197388.db2.gz KWTHDXVSQNLKNS-UHFFFAOYSA-N -1 3 357.326 1.325 20 5 FDBDHM COC(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c[n-]1 ZINC000814529055 941670813 /nfs/dbraw/zinc/67/08/13/941670813.db2.gz PCYDYCMNLLOIMP-VIFPVBQESA-N -1 3 361.310 1.894 20 5 FDBDHM O=C1COc2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3F)cc2N1 ZINC000818781193 943332561 /nfs/dbraw/zinc/33/25/61/943332561.db2.gz WWDBMCJBBKMVPD-UHFFFAOYSA-N -1 3 367.314 1.866 20 5 FDBDHM CC1(C)C[C@](C)([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C(=O)O1 ZINC000820734948 944194603 /nfs/dbraw/zinc/19/46/03/944194603.db2.gz MHMRMMLPURGYFK-HNNXBMFYSA-N -1 3 356.400 1.541 20 5 FDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001144232994 948427488 /nfs/dbraw/zinc/42/74/88/948427488.db2.gz RHRNJBLKNZRTKH-LLVKDONJSA-N -1 3 355.354 1.572 20 5 FDBDHM CC(C)(C(=O)NCc1ccc(-c2nnn[n-]2)s1)n1cc([N+](=O)[O-])cn1 ZINC001573782642 949127212 /nfs/dbraw/zinc/12/72/12/949127212.db2.gz GCIBFSMEICRYOJ-UHFFFAOYSA-N -1 3 362.375 1.084 20 5 FDBDHM C[C@@H](CCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000845912015 950080552 /nfs/dbraw/zinc/08/05/52/950080552.db2.gz NNUHPZIRWUKRTK-JTQLQIEISA-N -1 3 374.419 1.571 20 5 FDBDHM O=C([O-])CN1CCC(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001595075802 951645963 /nfs/dbraw/zinc/64/59/63/951645963.db2.gz YYLFASPRXKVIKA-UHFFFAOYSA-N -1 3 363.370 1.223 20 5 FDBDHM O=C([O-])[C@@]1(N2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)CCOC1 ZINC001329121347 961241288 /nfs/dbraw/zinc/24/12/88/961241288.db2.gz YAVFGIWOYRSTBM-GOSISDBHSA-N -1 3 372.381 1.509 20 5 FDBDHM Cc1cc(S(=O)(=O)[N-]C2CCC3(CC2)OCCO3)c([N+](=O)[O-])s1 ZINC001185487189 963957115 /nfs/dbraw/zinc/95/71/15/963957115.db2.gz GNOLCAUTCAXOPO-UHFFFAOYSA-N -1 3 362.429 1.929 20 5 FDBDHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001177885643 964008356 /nfs/dbraw/zinc/00/83/56/964008356.db2.gz ZKZZPPGJYLLBRJ-ZDUSSCGKSA-N -1 3 357.370 1.336 20 5 FDBDHM CC(C)(C)OC(=O)NC[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCCO1 ZINC000853680061 968244422 /nfs/dbraw/zinc/24/44/22/968244422.db2.gz VTLDOQOUHMMDOX-NSHDSACASA-N -1 3 368.390 1.815 20 5 FDBDHM CCc1nccn1CC[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001194850479 970465936 /nfs/dbraw/zinc/46/59/36/970465936.db2.gz PBIQMAYNRBOMGY-UHFFFAOYSA-N -1 3 356.379 1.780 20 5 FDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000867612106 976506532 /nfs/dbraw/zinc/50/65/32/976506532.db2.gz ISSYYTDKNVUQFD-LIHPDXLKSA-N -1 3 358.803 1.950 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCN(CCF)C2)c(Cl)c1 ZINC000867711632 976700736 /nfs/dbraw/zinc/70/07/36/976700736.db2.gz NNGURRFGNKQDBM-JTQLQIEISA-N -1 3 365.814 1.960 20 5 FDBDHM Cc1nc2n(n1)C[C@@H]([N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)CC2 ZINC000848582038 976911704 /nfs/dbraw/zinc/91/17/04/976911704.db2.gz VNSDWOVMFPWQBN-JTQLQIEISA-N -1 3 367.312 1.598 20 5 FDBDHM COC(=O)c1cnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[n-]1 ZINC000776434518 977496500 /nfs/dbraw/zinc/49/65/00/977496500.db2.gz UCVZWUKKEJGUSF-UHFFFAOYSA-N -1 3 354.319 1.974 20 5 FDBDHM CCN1CCC[C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001596418887 984048076 /nfs/dbraw/zinc/04/80/76/984048076.db2.gz XPNDVEXOYJVZPT-LLVKDONJSA-N -1 3 371.415 1.303 20 5 FDBDHM O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826461989 985839866 /nfs/dbraw/zinc/83/98/66/985839866.db2.gz LJQSZOKYXIROEF-NWDGAFQWSA-N -1 3 372.345 1.640 20 5 FDBDHM O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826461989 985839882 /nfs/dbraw/zinc/83/98/82/985839882.db2.gz LJQSZOKYXIROEF-NWDGAFQWSA-N -1 3 372.345 1.640 20 5 FDBDHM O=[N+]([O-])c1ccc2nc(N3CCOCC4(CC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499600 986726909 /nfs/dbraw/zinc/72/69/09/986726909.db2.gz OYQRXVMUCNOGFF-UHFFFAOYSA-N -1 3 367.369 1.940 20 5 FDBDHM O=[N+]([O-])c1ccc2nc(N3CCOCC4(CC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499600 986726916 /nfs/dbraw/zinc/72/69/16/986726916.db2.gz OYQRXVMUCNOGFF-UHFFFAOYSA-N -1 3 367.369 1.940 20 5 FDBDHM CC(C)(C(=O)[O-])N1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC001589627824 987524924 /nfs/dbraw/zinc/52/49/24/987524924.db2.gz OPDKFVBZPJTOIH-UHFFFAOYSA-N -1 3 351.363 1.190 20 5 FDBDHM CN(C)C(=O)[C@H]1CCCN1CCCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001598119999 990539471 /nfs/dbraw/zinc/53/94/71/990539471.db2.gz UAJTVBJJBDBDIW-GFCCVEGCSA-N -1 3 365.390 1.043 20 5 FDBDHM CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001598594816 993488999 /nfs/dbraw/zinc/48/89/99/993488999.db2.gz XXLDWQPIFGNUAA-LLVKDONJSA-N -1 3 371.415 1.255 20 5 FDBDHM COC(=O)N1CCC[C@H](NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001598878470 996782292 /nfs/dbraw/zinc/78/22/92/996782292.db2.gz BFMVMAZTJVUFRS-LBPRGKRZSA-N -1 3 367.358 1.379 20 5 FDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000190053255 177974952 /nfs/dbraw/zinc/97/49/52/177974952.db2.gz KDRGMCPGSJDKOU-NWDGAFQWSA-N -1 3 355.416 1.534 20 5 FDBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)N(C)C ZINC000190584863 178011917 /nfs/dbraw/zinc/01/19/17/178011917.db2.gz SBQICYGUSBLBSR-ZETCQYMHSA-N -1 3 369.321 1.369 20 5 FDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CN2CCCC2=O)cc1C ZINC000193815302 178183451 /nfs/dbraw/zinc/18/34/51/178183451.db2.gz HCKGNUWQQBKSCV-GFCCVEGCSA-N -1 3 355.416 1.501 20 5 FDBDHM Cc1c(F)cc(S(=O)(=O)[N-]C[C@@H](C)N2CCCCC2=O)cc1[N+](=O)[O-] ZINC000193873592 178186512 /nfs/dbraw/zinc/18/65/12/178186512.db2.gz SEILEZFKGGTKQK-SNVBAGLBSA-N -1 3 373.406 1.722 20 5 FDBDHM CSC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000228583710 178272730 /nfs/dbraw/zinc/27/27/30/178272730.db2.gz LUMXKHAXVUVBIP-NSHDSACASA-N -1 3 354.837 1.641 20 5 FDBDHM Cc1nnc2n1C[C@@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])CC2 ZINC000522628412 539573159 /nfs/dbraw/zinc/57/31/59/539573159.db2.gz IBCGHSXUQHMEQQ-GFCCVEGCSA-N -1 3 365.415 1.344 20 5 FDBDHM CCC[C@H](C)N(C)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265327060 179341571 /nfs/dbraw/zinc/34/15/71/179341571.db2.gz OTNXOVAFLSMYHV-LBPRGKRZSA-N -1 3 372.447 1.703 20 5 FDBDHM COC(=O)N1CCC([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000268884813 180172958 /nfs/dbraw/zinc/17/29/58/180172958.db2.gz SHDPVAMOXIMTFL-UHFFFAOYSA-N -1 3 371.415 1.721 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCOCC2)c(Br)c1 ZINC000269489850 180315116 /nfs/dbraw/zinc/31/51/16/180315116.db2.gz SFCOPCZFPDSJIL-UHFFFAOYSA-N -1 3 365.205 1.815 20 5 FDBDHM COC[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000269655584 180352094 /nfs/dbraw/zinc/35/20/94/180352094.db2.gz OMRRUYBRSNCRFY-SNVBAGLBSA-N -1 3 358.372 1.069 20 5 FDBDHM O=C(c1cc(N2CCc3nc[n-]c(=O)c3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000269727521 180372544 /nfs/dbraw/zinc/37/25/44/180372544.db2.gz URXOLLIYCMXWJH-UHFFFAOYSA-N -1 3 369.381 1.889 20 5 FDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000269714470 180368686 /nfs/dbraw/zinc/36/86/86/180368686.db2.gz OBRKYTXGQGPYHF-ZDUSSCGKSA-N -1 3 368.386 1.863 20 5 FDBDHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269776671 180385861 /nfs/dbraw/zinc/38/58/61/180385861.db2.gz NZWOEKTVQAHJJR-GFCCVEGCSA-N -1 3 374.415 1.441 20 5 FDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCO[C@@H](C2CC2)C1 ZINC000274226835 181051124 /nfs/dbraw/zinc/05/11/24/181051124.db2.gz UFISJWDDRCQSJW-SMDDNHRTSA-N -1 3 356.400 1.839 20 5 FDBDHM COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000533093428 540201216 /nfs/dbraw/zinc/20/12/16/540201216.db2.gz ZLTYZBCXPIMZLJ-CQSZACIVSA-N -1 3 352.368 1.615 20 5 FDBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000275089922 181235436 /nfs/dbraw/zinc/23/54/36/181235436.db2.gz QISFWVUFVIJGLN-RKDXNWHRSA-N -1 3 350.368 1.428 20 5 FDBDHM CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@@H]1N1CCCC1 ZINC000275173726 181254286 /nfs/dbraw/zinc/25/42/86/181254286.db2.gz XNBWSOSSWREQTR-DZGCQCFKSA-N -1 3 351.428 1.952 20 5 FDBDHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000536153805 540559614 /nfs/dbraw/zinc/55/96/14/540559614.db2.gz AJYOKZXMOYKLPO-CQSZACIVSA-N -1 3 372.399 1.231 20 5 FDBDHM 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JQFSHZRKRQKNNG-UHFFFAOYSA-N -1 3 372.320 1.151 20 5 FDBDHM O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737925835 598587122 /nfs/dbraw/zinc/58/71/22/598587122.db2.gz XKYZUGUBFSTQNT-UHFFFAOYSA-N -1 3 358.289 1.932 20 5 FDBDHM O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737925835 598587123 /nfs/dbraw/zinc/58/71/23/598587123.db2.gz XKYZUGUBFSTQNT-UHFFFAOYSA-N -1 3 358.289 1.932 20 5 FDBDHM O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737918973 598591054 /nfs/dbraw/zinc/59/10/54/598591054.db2.gz DRTAGDGRZKTYDM-UHFFFAOYSA-N -1 3 358.289 1.932 20 5 FDBDHM O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737918973 598591056 /nfs/dbraw/zinc/59/10/56/598591056.db2.gz DRTAGDGRZKTYDM-UHFFFAOYSA-N -1 3 358.289 1.932 20 5 FDBDHM Cn1c2ccc(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])cc2oc1=O ZINC000737588966 598602368 /nfs/dbraw/zinc/60/23/68/598602368.db2.gz LMQXBYDHNWSODZ-UHFFFAOYSA-N -1 3 353.298 1.963 20 5 FDBDHM Cn1c2ccc(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])cc2oc1=O ZINC000737588966 598602370 /nfs/dbraw/zinc/60/23/70/598602370.db2.gz LMQXBYDHNWSODZ-UHFFFAOYSA-N -1 3 353.298 1.963 20 5 FDBDHM O=C([C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000737792707 598682129 /nfs/dbraw/zinc/68/21/29/598682129.db2.gz SAUFFZAOILLLGJ-CYBMUJFWSA-N -1 3 371.401 1.614 20 5 FDBDHM O=C([C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000737792707 598682130 /nfs/dbraw/zinc/68/21/30/598682130.db2.gz SAUFFZAOILLLGJ-CYBMUJFWSA-N -1 3 371.401 1.614 20 5 FDBDHM CNC(=O)c1ccc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821635291 599320016 /nfs/dbraw/zinc/32/00/16/599320016.db2.gz VGVOJEMCKNNHQS-UHFFFAOYSA-N -1 3 368.357 1.166 20 5 FDBDHM CNC(=O)c1ccc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821635291 599320019 /nfs/dbraw/zinc/32/00/19/599320019.db2.gz VGVOJEMCKNNHQS-UHFFFAOYSA-N -1 3 368.357 1.166 20 5 FDBDHM O=[N+]([O-])c1ncccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823651450 599343951 /nfs/dbraw/zinc/34/39/51/599343951.db2.gz KEXPHVVTRVXDOS-UHFFFAOYSA-N -1 3 366.290 1.077 20 5 FDBDHM O=[N+]([O-])c1ncccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823651450 599343954 /nfs/dbraw/zinc/34/39/54/599343954.db2.gz KEXPHVVTRVXDOS-UHFFFAOYSA-N -1 3 366.290 1.077 20 5 FDBDHM O=C(COC(=O)c1ccc([N+](=O)[O-])c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826416030 607370922 /nfs/dbraw/zinc/37/09/22/607370922.db2.gz DYHFFUARMPTTAF-UHFFFAOYSA-N -1 3 371.284 1.954 20 5 FDBDHM O=C(COC(=O)c1ccc([N+](=O)[O-])c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826416030 607370923 /nfs/dbraw/zinc/37/09/23/607370923.db2.gz DYHFFUARMPTTAF-UHFFFAOYSA-N -1 3 371.284 1.954 20 5 FDBDHM CCc1n[nH]c(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1[N+](=O)[O-] ZINC000821462282 599490200 /nfs/dbraw/zinc/49/02/00/599490200.db2.gz YDKMZERSSJBSIR-UHFFFAOYSA-N -1 3 360.309 1.130 20 5 FDBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H](C(F)(F)F)O1 ZINC000820778410 599688062 /nfs/dbraw/zinc/68/80/62/599688062.db2.gz 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FDBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000826248383 607688422 /nfs/dbraw/zinc/68/84/22/607688422.db2.gz HCKICCRGDUDOBR-UHFFFAOYSA-N -1 3 368.353 1.892 20 5 FDBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000826248383 607688424 /nfs/dbraw/zinc/68/84/24/607688424.db2.gz HCKICCRGDUDOBR-UHFFFAOYSA-N -1 3 368.353 1.892 20 5 FDBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@](C)(CNC(=O)[O-])C1CC1 ZINC000830432217 605165271 /nfs/dbraw/zinc/16/52/71/605165271.db2.gz CKRVZMKEZHYEGR-MRXNPFEDSA-N -1 3 350.375 1.868 20 5 FDBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ncc(C)cc1[N+](=O)[O-] ZINC000821702566 606020496 /nfs/dbraw/zinc/02/04/96/606020496.db2.gz YJCIRMQZQKGWPH-UHFFFAOYSA-N -1 3 372.341 1.945 20 5 FDBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ncc(C)cc1[N+](=O)[O-] ZINC000821702566 606020499 /nfs/dbraw/zinc/02/04/99/606020499.db2.gz YJCIRMQZQKGWPH-UHFFFAOYSA-N -1 3 372.341 1.945 20 5 FDBDHM Cc1cc(N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)ncc1[N+](=O)[O-] ZINC000822206820 606035240 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365.353 1.992 20 5 FDBDHM O=c1[nH]c2ccccc2n1CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000823658015 606429973 /nfs/dbraw/zinc/42/99/73/606429973.db2.gz YEGWMWGUSNURIT-UHFFFAOYSA-N -1 3 366.341 1.942 20 5 FDBDHM O=c1[nH]c2ccccc2n1CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000823658015 606429974 /nfs/dbraw/zinc/42/99/74/606429974.db2.gz YEGWMWGUSNURIT-UHFFFAOYSA-N -1 3 366.341 1.942 20 5 FDBDHM O=[N+]([O-])c1cc(NCc2ccc(-n3ccnc3)nc2)ccc1-c1nnn[n-]1 ZINC000823634831 606645288 /nfs/dbraw/zinc/64/52/88/606645288.db2.gz MWKXIMMZKYDKGP-UHFFFAOYSA-N -1 3 363.341 1.968 20 5 FDBDHM O=[N+]([O-])c1cc(NCc2ccc(-n3ccnc3)nc2)ccc1-c1nn[n-]n1 ZINC000823634831 606645289 /nfs/dbraw/zinc/64/52/89/606645289.db2.gz MWKXIMMZKYDKGP-UHFFFAOYSA-N -1 3 363.341 1.968 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H](Oc2cccnc2)C1 ZINC000823629791 606790616 /nfs/dbraw/zinc/79/06/16/606790616.db2.gz HDRRGLQOUYCVRD-CYBMUJFWSA-N -1 3 353.342 1.828 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](Oc2cccnc2)C1 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Nc1c(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000822902414 606574967 /nfs/dbraw/zinc/57/49/67/606574967.db2.gz BERHQCSPQVKQNK-UHFFFAOYSA-N -1 3 369.341 1.166 20 5 FDBDHM O=C(NCc1ccccc1[N+](=O)[O-])c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823261966 606671491 /nfs/dbraw/zinc/67/14/91/606671491.db2.gz YCSRDJOPIYQANJ-UHFFFAOYSA-N -1 3 360.280 1.983 20 5 FDBDHM O=C(NCc1ccccc1[N+](=O)[O-])c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823261966 606671492 /nfs/dbraw/zinc/67/14/92/606671492.db2.gz YCSRDJOPIYQANJ-UHFFFAOYSA-N -1 3 360.280 1.983 20 5 FDBDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823261546 606674892 /nfs/dbraw/zinc/67/48/92/606674892.db2.gz NCWQGEJYTJKLJD-UHFFFAOYSA-N -1 3 360.280 1.983 20 5 FDBDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823261546 606674893 /nfs/dbraw/zinc/67/48/93/606674893.db2.gz NCWQGEJYTJKLJD-UHFFFAOYSA-N -1 3 360.280 1.983 20 5 FDBDHM CCc1nccn1[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821517764 606708263 /nfs/dbraw/zinc/70/82/63/606708263.db2.gz OEWAQCPKDHGXGH-LLVKDONJSA-N -1 3 369.389 1.770 20 5 FDBDHM CCc1nccn1[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821517764 606708265 /nfs/dbraw/zinc/70/82/65/606708265.db2.gz OEWAQCPKDHGXGH-LLVKDONJSA-N -1 3 369.389 1.770 20 5 FDBDHM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820734873 606803456 /nfs/dbraw/zinc/80/34/56/606803456.db2.gz OXXBLSJIZHRDJX-RNCFNFMXSA-N -1 3 372.389 1.229 20 5 FDBDHM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820734873 606803457 /nfs/dbraw/zinc/80/34/57/606803457.db2.gz OXXBLSJIZHRDJX-RNCFNFMXSA-N -1 3 372.389 1.229 20 5 FDBDHM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820733620 606803630 /nfs/dbraw/zinc/80/36/30/606803630.db2.gz HQFIXPYNGXLWJY-IINYFYTJSA-N -1 3 371.401 1.834 20 5 FDBDHM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820733620 606803633 /nfs/dbraw/zinc/80/36/33/606803633.db2.gz HQFIXPYNGXLWJY-IINYFYTJSA-N -1 3 371.401 1.834 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000823629876 606876673 /nfs/dbraw/zinc/87/66/73/606876673.db2.gz KMZBNMLHQGQQOE-UKRRQHHQSA-N -1 3 373.417 1.830 20 5 FDBDHM Nc1c(C(=O)OCCOc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000822904497 607004548 /nfs/dbraw/zinc/00/45/48/607004548.db2.gz ZCEZFODUTAQXPT-UHFFFAOYSA-N -1 3 370.325 1.593 20 5 FDBDHM Nc1c(C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000822904497 607004550 /nfs/dbraw/zinc/00/45/50/607004550.db2.gz ZCEZFODUTAQXPT-UHFFFAOYSA-N -1 3 370.325 1.593 20 5 FDBDHM Cc1ccnc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)c1 ZINC000822374318 607039050 /nfs/dbraw/zinc/03/90/50/607039050.db2.gz QTIMFTIPQGWRQT-UHFFFAOYSA-N -1 3 367.373 1.200 20 5 FDBDHM Cc1ccnc(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)c1 ZINC000822374318 607039051 /nfs/dbraw/zinc/03/90/51/607039051.db2.gz QTIMFTIPQGWRQT-UHFFFAOYSA-N -1 3 367.373 1.200 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)COCc1ccccc1 ZINC000826497338 607873415 /nfs/dbraw/zinc/87/34/15/607873415.db2.gz DEHMLPRMDYJFNK-AWEZNQCLSA-N -1 3 371.353 1.731 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)COCc1ccccc1 ZINC000826497338 607873416 /nfs/dbraw/zinc/87/34/16/607873416.db2.gz DEHMLPRMDYJFNK-AWEZNQCLSA-N -1 3 371.353 1.731 20 5 FDBDHM CCc1[nH]nc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1[N+](=O)[O-] ZINC000825680277 607961675 /nfs/dbraw/zinc/96/16/75/607961675.db2.gz ZVUZAWZYIYLBJE-UHFFFAOYSA-N -1 3 354.330 1.263 20 5 FDBDHM O=[N+]([O-])c1cnccc1N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826500718 608052789 /nfs/dbraw/zinc/05/27/89/608052789.db2.gz JPZCNMDTNMXGGZ-HNNXBMFYSA-N -1 3 353.342 1.748 20 5 FDBDHM O=[N+]([O-])c1cnccc1N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826500718 608052790 /nfs/dbraw/zinc/05/27/90/608052790.db2.gz JPZCNMDTNMXGGZ-HNNXBMFYSA-N -1 3 353.342 1.748 20 5 FDBDHM C[C@@]1(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCCO1 ZINC000824783481 608162761 /nfs/dbraw/zinc/16/27/61/608162761.db2.gz HHJBSNZVLLWGQJ-ZDUSSCGKSA-N -1 3 352.738 1.936 20 5 FDBDHM C[C@@]1(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCCO1 ZINC000824783481 608162763 /nfs/dbraw/zinc/16/27/63/608162763.db2.gz HHJBSNZVLLWGQJ-ZDUSSCGKSA-N -1 3 352.738 1.936 20 5 FDBDHM CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCN1CC(F)F ZINC000825212257 608234910 /nfs/dbraw/zinc/23/49/10/608234910.db2.gz QTNVCDDNAZITAF-JTQLQIEISA-N -1 3 367.360 1.941 20 5 FDBDHM CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCN1CC(F)F ZINC000825212257 608234912 /nfs/dbraw/zinc/23/49/12/608234912.db2.gz QTNVCDDNAZITAF-JTQLQIEISA-N -1 3 367.360 1.941 20 5 FDBDHM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1nncn1C ZINC000824647721 608367707 /nfs/dbraw/zinc/36/77/07/608367707.db2.gz BWEXVFQWHDFFRV-QMMMGPOBSA-N -1 3 366.345 1.625 20 5 FDBDHM C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1nncn1C ZINC000824647721 608367709 /nfs/dbraw/zinc/36/77/09/608367709.db2.gz BWEXVFQWHDFFRV-QMMMGPOBSA-N -1 3 366.345 1.625 20 5 FDBDHM COc1cc(-c2nnn[n-]2)ccc1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000826173717 608407492 /nfs/dbraw/zinc/40/74/92/608407492.db2.gz RCCHOIABSIWHFR-UHFFFAOYSA-N -1 3 362.733 1.647 20 5 FDBDHM COc1cc(-c2nn[n-]n2)ccc1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000826173717 608407494 /nfs/dbraw/zinc/40/74/94/608407494.db2.gz RCCHOIABSIWHFR-UHFFFAOYSA-N -1 3 362.733 1.647 20 5 FDBDHM O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(-c4nnn[n-]4)o3)C2)nc1 ZINC000826498798 608718925 /nfs/dbraw/zinc/71/89/25/608718925.db2.gz KCLLDGRBZKNNJK-JTQLQIEISA-N -1 3 356.346 1.449 20 5 FDBDHM C[C@@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824471529 609205479 /nfs/dbraw/zinc/20/54/79/609205479.db2.gz RGUVBLNZFCRKGV-MEBBXXQBSA-N -1 3 368.353 1.686 20 5 FDBDHM C[C@@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824471529 609205481 /nfs/dbraw/zinc/20/54/81/609205481.db2.gz RGUVBLNZFCRKGV-MEBBXXQBSA-N -1 3 368.353 1.686 20 5 FDBDHM O=C(NCc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826442603 609214059 /nfs/dbraw/zinc/21/40/59/609214059.db2.gz CQSVOTIUFCJZMB-CQSZACIVSA-N -1 3 354.326 1.125 20 5 FDBDHM O=C(NCc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826442603 609214060 /nfs/dbraw/zinc/21/40/60/609214060.db2.gz CQSVOTIUFCJZMB-CQSZACIVSA-N -1 3 354.326 1.125 20 5 FDBDHM Nc1cccc([N+](=O)[O-])c1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000826396125 609349972 /nfs/dbraw/zinc/34/99/72/609349972.db2.gz HZFALINDIAWBGP-UHFFFAOYSA-N -1 3 358.289 1.853 20 5 FDBDHM Nc1cccc([N+](=O)[O-])c1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000826396125 609349973 /nfs/dbraw/zinc/34/99/73/609349973.db2.gz HZFALINDIAWBGP-UHFFFAOYSA-N -1 3 358.289 1.853 20 5 FDBDHM O=[N+]([O-])c1ccccc1OC[C@H](O)COc1cccc(-c2nnn[n-]2)c1 ZINC000826500956 609493608 /nfs/dbraw/zinc/49/36/08/609493608.db2.gz SVCFGILDAQUNPK-GFCCVEGCSA-N -1 3 357.326 1.594 20 5 FDBDHM O=[N+]([O-])c1ccccc1OC[C@H](O)COc1cccc(-c2nn[n-]n2)c1 ZINC000826500956 609493609 /nfs/dbraw/zinc/49/36/09/609493609.db2.gz SVCFGILDAQUNPK-GFCCVEGCSA-N -1 3 357.326 1.594 20 5 FDBDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000825625738 609534977 /nfs/dbraw/zinc/53/49/77/609534977.db2.gz CPOYQEASSXDDNQ-UHFFFAOYSA-N -1 3 358.318 1.159 20 5 FDBDHM C[C@H](CCCO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000126163109 671756698 /nfs/dbraw/zinc/75/66/98/671756698.db2.gz RCVAACAUVCYJEB-MRVPVSSYSA-N -1 3 367.221 1.797 20 5 FDBDHM CC(C)(CCS(C)(=O)=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000266301051 673101563 /nfs/dbraw/zinc/10/15/63/673101563.db2.gz NXLXOYBXLQYDDB-UHFFFAOYSA-N -1 3 368.408 1.226 20 5 FDBDHM CO[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000289464368 676140289 /nfs/dbraw/zinc/14/02/89/676140289.db2.gz GVPIMZAGIIECMI-UWVGGRQHSA-N -1 3 370.305 1.306 20 5 FDBDHM CSCCO[N-]C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000280154242 675386952 /nfs/dbraw/zinc/38/69/52/675386952.db2.gz YBOXOARNRBEVEG-UHFFFAOYSA-N -1 3 355.372 1.694 20 5 FDBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1F)OCCO2 ZINC000416598251 679687135 /nfs/dbraw/zinc/68/71/35/679687135.db2.gz UIQQNYGUQOAUBD-NXEZZACHSA-N -1 3 360.363 1.925 20 5 FDBDHM CCS(=O)(=O)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000416624341 679695584 /nfs/dbraw/zinc/69/55/84/679695584.db2.gz QBBVFSULYAUGJY-UHFFFAOYSA-N -1 3 370.836 1.351 20 5 FDBDHM C[C@@H]1C[C@H]1N1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000331606887 676732817 /nfs/dbraw/zinc/73/28/17/676732817.db2.gz ZVJBKHQIQDNUAN-VDDIYKPWSA-N -1 3 373.818 1.536 20 5 FDBDHM CC(C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416420468 679613884 /nfs/dbraw/zinc/61/38/84/679613884.db2.gz ZESSMAMNMAMCFG-SECBINFHSA-N -1 3 356.322 1.909 20 5 FDBDHM CCOC[C@@H](O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416458477 679631250 /nfs/dbraw/zinc/63/12/50/679631250.db2.gz JDVCDFFDMIROAM-VIFPVBQESA-N -1 3 372.321 1.289 20 5 FDBDHM CC[C@@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443236277 682258405 /nfs/dbraw/zinc/25/84/05/682258405.db2.gz MOSHOBFGMYLTLJ-QMMMGPOBSA-N -1 3 367.221 1.797 20 5 FDBDHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)no1 ZINC000432302457 681151259 /nfs/dbraw/zinc/15/12/59/681151259.db2.gz PYJIHIYCWYEZTQ-AWEZNQCLSA-N -1 3 352.372 1.890 20 5 FDBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000478907114 685930255 /nfs/dbraw/zinc/93/02/55/685930255.db2.gz HVUOJRLDDOPMEX-UHFFFAOYSA-N -1 3 365.293 1.519 20 5 FDBDHM O=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)Nc1cccnc1 ZINC000509652970 689295033 /nfs/dbraw/zinc/29/50/33/689295033.db2.gz MDSHGVPGOARVFY-UHFFFAOYSA-N -1 3 354.319 1.046 20 5 FDBDHM COCc1nc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)sc1C(=O)OC ZINC000511165380 689479797 /nfs/dbraw/zinc/47/97/97/689479797.db2.gz OCPHPYBQRNDSME-UHFFFAOYSA-N -1 3 368.327 1.337 20 5 FDBDHM COc1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(OC)n1 ZINC000519569431 690223020 /nfs/dbraw/zinc/22/30/20/690223020.db2.gz 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3 371.332 1.642 20 5 FDBDHM O=C(CNc1ccccc1[N+](=O)[O-])NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823014660 599177414 /nfs/dbraw/zinc/17/74/14/599177414.db2.gz SIGQFAHLBBVNJG-UHFFFAOYSA-N -1 3 371.332 1.642 20 5 FDBDHM O=[N+]([O-])c1cnc(NCc2cccc(-n3cncn3)c2)c(-c2nnn[n-]2)c1 ZINC000738375043 599269489 /nfs/dbraw/zinc/26/94/89/599269489.db2.gz YDTOITFGTUEFNR-UHFFFAOYSA-N -1 3 364.329 1.363 20 5 FDBDHM O=[N+]([O-])c1cnc(NCc2cccc(-n3cncn3)c2)c(-c2nn[n-]n2)c1 ZINC000738375043 599269491 /nfs/dbraw/zinc/26/94/91/599269491.db2.gz YDTOITFGTUEFNR-UHFFFAOYSA-N -1 3 364.329 1.363 20 5 FDBDHM CC(C)(C(=O)NCc1cccc(-c2nnn[n-]2)c1)n1cc([N+](=O)[O-])cn1 ZINC000735580767 598326654 /nfs/dbraw/zinc/32/66/54/598326654.db2.gz JJIKBVMUCIHSSW-UHFFFAOYSA-N -1 3 356.346 1.023 20 5 FDBDHM CC(C)(C(=O)NCc1cccc(-c2nn[n-]n2)c1)n1cc([N+](=O)[O-])cn1 ZINC000735580767 598326656 /nfs/dbraw/zinc/32/66/56/598326656.db2.gz JJIKBVMUCIHSSW-UHFFFAOYSA-N -1 3 356.346 1.023 20 5 FDBDHM CC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000735587580 598362902 /nfs/dbraw/zinc/36/29/02/598362902.db2.gz WBOHQAZSZBOKCO-LBPRGKRZSA-N -1 3 373.417 1.906 20 5 FDBDHM CC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000735587580 598362904 /nfs/dbraw/zinc/36/29/04/598362904.db2.gz WBOHQAZSZBOKCO-LBPRGKRZSA-N -1 3 373.417 1.906 20 5 FDBDHM Cc1cccc(OC[C@@H](O)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737402636 598499407 /nfs/dbraw/zinc/49/94/07/598499407.db2.gz XSYHMBAYLWHDRV-LBPRGKRZSA-N -1 3 371.357 1.330 20 5 FDBDHM Cc1cccc(OC[C@@H](O)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737402636 598499409 /nfs/dbraw/zinc/49/94/09/598499409.db2.gz XSYHMBAYLWHDRV-LBPRGKRZSA-N -1 3 371.357 1.330 20 5 FDBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738085364 598588669 /nfs/dbraw/zinc/58/86/69/598588669.db2.gz GAAVUAHBQXWBTN-UHFFFAOYSA-N -1 3 354.326 1.584 20 5 FDBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738085364 598588671 /nfs/dbraw/zinc/58/86/71/598588671.db2.gz GAAVUAHBQXWBTN-UHFFFAOYSA-N -1 3 354.326 1.584 20 5 FDBDHM COc1cccc([C@H](O)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737128127 598678671 /nfs/dbraw/zinc/67/86/71/598678671.db2.gz NHFWWXJWUGXTNH-OAHLLOKOSA-N -1 3 356.342 1.929 20 5 FDBDHM COc1cccc([C@H](O)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000737128127 598678673 /nfs/dbraw/zinc/67/86/73/598678673.db2.gz NHFWWXJWUGXTNH-OAHLLOKOSA-N -1 3 356.342 1.929 20 5 FDBDHM CC(=O)Nc1nnc(Sc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC000735496569 598798744 /nfs/dbraw/zinc/79/87/44/598798744.db2.gz BLNWGSDEUMXGOP-UHFFFAOYSA-N -1 3 364.372 1.736 20 5 FDBDHM CC(=O)Nc1nnc(Sc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC000735496569 598798745 /nfs/dbraw/zinc/79/87/45/598798745.db2.gz BLNWGSDEUMXGOP-UHFFFAOYSA-N -1 3 364.372 1.736 20 5 FDBDHM O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000738372702 599365038 /nfs/dbraw/zinc/36/50/38/599365038.db2.gz SNLPJHSGCALQPC-UHFFFAOYSA-N -1 3 350.697 1.777 20 5 FDBDHM O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000738372702 599365039 /nfs/dbraw/zinc/36/50/39/599365039.db2.gz SNLPJHSGCALQPC-UHFFFAOYSA-N -1 3 350.697 1.777 20 5 FDBDHM C[C@H]1Oc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2NC1=O ZINC000820821276 599369939 /nfs/dbraw/zinc/36/99/39/599369939.db2.gz SANVFDYTUMVOGJ-SSDOTTSWSA-N -1 3 368.313 1.633 20 5 FDBDHM C[C@H]1Oc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2NC1=O ZINC000820821276 599369942 /nfs/dbraw/zinc/36/99/42/599369942.db2.gz SANVFDYTUMVOGJ-SSDOTTSWSA-N -1 3 368.313 1.633 20 5 FDBDHM Cc1nn(C)c(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000822486663 599505594 /nfs/dbraw/zinc/50/55/94/599505594.db2.gz RQGJWTIIFBPZDL-MRVPVSSYSA-N -1 3 356.346 1.308 20 5 FDBDHM Cc1nn(C)c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000822486663 599505595 /nfs/dbraw/zinc/50/55/95/599505595.db2.gz RQGJWTIIFBPZDL-MRVPVSSYSA-N -1 3 356.346 1.308 20 5 FDBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000821745032 607412114 /nfs/dbraw/zinc/41/21/14/607412114.db2.gz ARNBJWZDUZKFLH-UHFFFAOYSA-N -1 3 370.325 1.723 20 5 FDBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000821745032 607412116 /nfs/dbraw/zinc/41/21/16/607412116.db2.gz ARNBJWZDUZKFLH-UHFFFAOYSA-N -1 3 370.325 1.723 20 5 FDBDHM C[C@H]1CCCC[C@]1(CNC(=O)[O-])NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000739098123 602553886 /nfs/dbraw/zinc/55/38/86/602553886.db2.gz HITLQUSKSCLJMZ-APPDUMDISA-N -1 3 364.402 2.000 20 5 FDBDHM Cc1cnc(OCC(=O)Nc2sccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000822400188 606021271 /nfs/dbraw/zinc/02/12/71/606021271.db2.gz YRBQYXKRTWLWCD-UHFFFAOYSA-N -1 3 361.343 1.557 20 5 FDBDHM Cc1cnc(OCC(=O)Nc2sccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822400188 606021277 /nfs/dbraw/zinc/02/12/77/606021277.db2.gz YRBQYXKRTWLWCD-UHFFFAOYSA-N -1 3 361.343 1.557 20 5 FDBDHM Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000822212844 606136413 /nfs/dbraw/zinc/13/64/13/606136413.db2.gz JNLWEQSZOFZYNB-UHFFFAOYSA-N -1 3 366.385 1.805 20 5 FDBDHM Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000822212844 606136415 /nfs/dbraw/zinc/13/64/15/606136415.db2.gz JNLWEQSZOFZYNB-UHFFFAOYSA-N -1 3 366.385 1.805 20 5 FDBDHM Cc1nn(CCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c(C)c1[N+](=O)[O-] ZINC000822501180 606264842 /nfs/dbraw/zinc/26/48/42/606264842.db2.gz ZNIGAKRRENNJDF-UHFFFAOYSA-N -1 3 374.336 1.756 20 5 FDBDHM Cc1nn(CCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c(C)c1[N+](=O)[O-] ZINC000822501180 606264844 /nfs/dbraw/zinc/26/48/44/606264844.db2.gz ZNIGAKRRENNJDF-UHFFFAOYSA-N -1 3 374.336 1.756 20 5 FDBDHM COC(=O)c1cc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc([N+](=O)[O-])c1 ZINC000821667920 606321650 /nfs/dbraw/zinc/32/16/50/606321650.db2.gz GWMUHJVJQIXXRR-UHFFFAOYSA-N -1 3 357.286 1.142 20 5 FDBDHM COC(=O)c1cc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc([N+](=O)[O-])c1 ZINC000821667920 606321651 /nfs/dbraw/zinc/32/16/51/606321651.db2.gz GWMUHJVJQIXXRR-UHFFFAOYSA-N -1 3 357.286 1.142 20 5 FDBDHM Cc1cnc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)s1 ZINC000822394937 606643839 /nfs/dbraw/zinc/64/38/39/606643839.db2.gz LIZDQINKMPUYDF-UHFFFAOYSA-N -1 3 373.402 1.261 20 5 FDBDHM Cc1cnc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)s1 ZINC000822394937 606643840 /nfs/dbraw/zinc/64/38/40/606643840.db2.gz LIZDQINKMPUYDF-UHFFFAOYSA-N -1 3 373.402 1.261 20 5 FDBDHM CC(C)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000820011688 606644741 /nfs/dbraw/zinc/64/47/41/606644741.db2.gz OIGNQSLWYMQFCT-UHFFFAOYSA-N -1 3 359.390 1.516 20 5 FDBDHM Cc1csc(N2CCN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)CC2)n1 ZINC000822414401 606644929 /nfs/dbraw/zinc/64/49/29/606644929.db2.gz DKXWHCZBGIVRFS-UHFFFAOYSA-N -1 3 372.414 1.866 20 5 FDBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(Cc2ncc[nH]2)CC1 ZINC000823620859 606709358 /nfs/dbraw/zinc/70/93/58/606709358.db2.gz RMXKQYLSMJLYBX-UHFFFAOYSA-N -1 3 355.362 1.352 20 5 FDBDHM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(Cc2ncc[nH]2)CC1 ZINC000823620859 606709360 /nfs/dbraw/zinc/70/93/60/606709360.db2.gz RMXKQYLSMJLYBX-UHFFFAOYSA-N -1 3 355.362 1.352 20 5 FDBDHM O=C(OCCn1cc([N+](=O)[O-])cn1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823410171 606757987 /nfs/dbraw/zinc/75/79/87/606757987.db2.gz PTFJIYHMWZCRFQ-UHFFFAOYSA-N -1 3 365.256 1.107 20 5 FDBDHM O=C(OCCn1cc([N+](=O)[O-])cn1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823410171 606757988 /nfs/dbraw/zinc/75/79/88/606757988.db2.gz PTFJIYHMWZCRFQ-UHFFFAOYSA-N -1 3 365.256 1.107 20 5 FDBDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000822222756 607050080 /nfs/dbraw/zinc/05/00/80/607050080.db2.gz SBWUYOMJZRKNMV-UHFFFAOYSA-N -1 3 361.339 1.851 20 5 FDBDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000822222756 607050081 /nfs/dbraw/zinc/05/00/81/607050081.db2.gz SBWUYOMJZRKNMV-UHFFFAOYSA-N -1 3 361.339 1.851 20 5 FDBDHM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822987204 607190842 /nfs/dbraw/zinc/19/08/42/607190842.db2.gz SQPYOCJNZXKVGL-UHFFFAOYSA-N -1 3 362.737 1.654 20 5 FDBDHM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822987204 607190843 /nfs/dbraw/zinc/19/08/43/607190843.db2.gz SQPYOCJNZXKVGL-UHFFFAOYSA-N -1 3 362.737 1.654 20 5 FDBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCN1CC(F)(F)F ZINC000824999519 608100355 /nfs/dbraw/zinc/10/03/55/608100355.db2.gz HDHOSZDOUOZQKL-MRVPVSSYSA-N -1 3 372.311 1.243 20 5 FDBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCN1CC(F)(F)F ZINC000824999519 608100356 /nfs/dbraw/zinc/10/03/56/608100356.db2.gz HDHOSZDOUOZQKL-MRVPVSSYSA-N -1 3 372.311 1.243 20 5 FDBDHM Cn1cc(C=CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cn1 ZINC000826360164 608161949 /nfs/dbraw/zinc/16/19/49/608161949.db2.gz ZISCSTPMOXPEQE-NSCUHMNNSA-N -1 3 374.748 1.814 20 5 FDBDHM Cn1cc(C=CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cn1 ZINC000826360164 608161950 /nfs/dbraw/zinc/16/19/50/608161950.db2.gz ZISCSTPMOXPEQE-NSCUHMNNSA-N -1 3 374.748 1.814 20 5 FDBDHM CC(C)(C)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824064756 608162588 /nfs/dbraw/zinc/16/25/88/608162588.db2.gz LKDLDJWEJGHHDW-UHFFFAOYSA-N -1 3 352.738 1.982 20 5 FDBDHM CC(C)(C)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824064756 608162590 /nfs/dbraw/zinc/16/25/90/608162590.db2.gz LKDLDJWEJGHHDW-UHFFFAOYSA-N -1 3 352.738 1.982 20 5 FDBDHM CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825391143 608220003 /nfs/dbraw/zinc/22/00/03/608220003.db2.gz VMAPZTJIMLNHGF-JTQLQIEISA-N -1 3 370.373 1.732 20 5 FDBDHM CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825391143 608220005 /nfs/dbraw/zinc/22/00/05/608220005.db2.gz VMAPZTJIMLNHGF-JTQLQIEISA-N -1 3 370.373 1.732 20 5 FDBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc(-c3nnn[n-]3)cn1C)CC2 ZINC000826272900 608336811 /nfs/dbraw/zinc/33/68/11/608336811.db2.gz GQBBNGCJTJOPCX-UHFFFAOYSA-N -1 3 353.342 1.625 20 5 FDBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc(-c3nn[n-]n3)cn1C)CC2 ZINC000826272900 608336814 /nfs/dbraw/zinc/33/68/14/608336814.db2.gz GQBBNGCJTJOPCX-UHFFFAOYSA-N -1 3 353.342 1.625 20 5 FDBDHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@H](C)CO1 ZINC000824994456 608363820 /nfs/dbraw/zinc/36/38/20/608363820.db2.gz UNCGYTVJVONODA-NXEZZACHSA-N -1 3 355.358 1.937 20 5 FDBDHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@H](C)CO1 ZINC000824994456 608363823 /nfs/dbraw/zinc/36/38/23/608363823.db2.gz UNCGYTVJVONODA-NXEZZACHSA-N -1 3 355.358 1.937 20 5 FDBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000825961208 608396657 /nfs/dbraw/zinc/39/66/57/608396657.db2.gz CLLKPYYLZUKJEK-UHFFFAOYSA-N -1 3 351.330 1.454 20 5 FDBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000825961208 608396659 /nfs/dbraw/zinc/39/66/59/608396659.db2.gz CLLKPYYLZUKJEK-UHFFFAOYSA-N -1 3 351.330 1.454 20 5 FDBDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824640934 608426293 /nfs/dbraw/zinc/42/62/93/608426293.db2.gz QCUNHQHAVSMEEF-SNVBAGLBSA-N -1 3 374.382 1.814 20 5 FDBDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824640934 608426294 /nfs/dbraw/zinc/42/62/94/608426294.db2.gz QCUNHQHAVSMEEF-SNVBAGLBSA-N -1 3 374.382 1.814 20 5 FDBDHM Nc1c(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cccc1[N+](=O)[O-] ZINC000826395455 608451736 /nfs/dbraw/zinc/45/17/36/608451736.db2.gz CJAQLAPLWIPYDY-UHFFFAOYSA-N -1 3 358.289 1.853 20 5 FDBDHM Nc1c(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cccc1[N+](=O)[O-] ZINC000826395455 608451738 /nfs/dbraw/zinc/45/17/38/608451738.db2.gz CJAQLAPLWIPYDY-UHFFFAOYSA-N -1 3 358.289 1.853 20 5 FDBDHM O=C(OCCc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826464012 609636897 /nfs/dbraw/zinc/63/68/97/609636897.db2.gz DYXSTGWAWGCCOV-OAHLLOKOSA-N -1 3 369.337 1.594 20 5 FDBDHM O=C(OCCc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826464012 609636899 /nfs/dbraw/zinc/63/68/99/609636899.db2.gz DYXSTGWAWGCCOV-OAHLLOKOSA-N -1 3 369.337 1.594 20 5 FDBDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCc1ccc([N+](=O)[O-])cc1 ZINC000053671497 671194634 /nfs/dbraw/zinc/19/46/34/671194634.db2.gz XMVVPTCILPMOEO-UHFFFAOYSA-N -1 3 358.807 1.811 20 5 FDBDHM CCOCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000158138999 671977389 /nfs/dbraw/zinc/97/73/89/671977389.db2.gz VLVCPEUOKLOERX-UHFFFAOYSA-N -1 3 353.194 1.672 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CN3CCCC[C@H]3CO2)c(F)c1 ZINC000362065450 676907640 /nfs/dbraw/zinc/90/76/40/676907640.db2.gz SOOKYDPNFNIHAM-STQMWFEESA-N -1 3 373.406 1.266 20 5 FDBDHM CCCCN(C)C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000414338585 679340090 /nfs/dbraw/zinc/34/00/90/679340090.db2.gz JCYLKEXJORVJMK-NSHDSACASA-N -1 3 373.431 1.692 20 5 FDBDHM CN1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1=O ZINC000416380379 679595796 /nfs/dbraw/zinc/59/57/96/679595796.db2.gz BPDAMXSDPSEOFA-MRVPVSSYSA-N -1 3 367.305 1.123 20 5 FDBDHM CS(=O)(=O)CCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000425185686 680879873 /nfs/dbraw/zinc/87/98/73/680879873.db2.gz ROBMHVPTBKEMJS-UHFFFAOYSA-N -1 3 370.836 1.351 20 5 FDBDHM COc1ccnc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)n1 ZINC000425186859 680880026 /nfs/dbraw/zinc/88/00/26/680880026.db2.gz VGYHUQZNDUWELO-UHFFFAOYSA-N -1 3 352.372 1.489 20 5 FDBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(CN3CCOCC3)cs2)n1 ZINC000427816763 680985756 /nfs/dbraw/zinc/98/57/56/680985756.db2.gz JJRIASOAQMNXIM-UHFFFAOYSA-N -1 3 366.403 1.352 20 5 FDBDHM Cc1cc(S(=O)(=O)N2CCc3nc[n-]c(=O)c3C2)ccc1[N+](=O)[O-] ZINC000429328677 681032009 /nfs/dbraw/zinc/03/20/09/681032009.db2.gz DUZJMJYARRSMET-UHFFFAOYSA-N -1 3 350.356 1.146 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOC(F)(F)F)c2ncccc12 ZINC000474390930 685403721 /nfs/dbraw/zinc/40/37/21/685403721.db2.gz HYDJTKHVFSTWNU-UHFFFAOYSA-N -1 3 365.289 1.958 20 5 FDBDHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)no1 ZINC000443155653 682242706 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360.363 1.744 20 5 FDBDHM CCOC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000451948248 682978640 /nfs/dbraw/zinc/97/86/40/682978640.db2.gz SKBFTJLLFDWQAS-PWSUYJOCSA-N -1 3 360.363 1.744 20 5 FDBDHM CCOC(=O)[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000479194296 686003800 /nfs/dbraw/zinc/00/38/00/686003800.db2.gz YBUDXVLLMMLIIQ-MRVPVSSYSA-N -1 3 350.780 1.726 20 5 FDBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CC1(C(F)F)CC1)OCCO2 ZINC000480424415 686169876 /nfs/dbraw/zinc/16/98/76/686169876.db2.gz FGRUEQMIEWXTPM-UHFFFAOYSA-N -1 3 364.326 1.690 20 5 FDBDHM COC(=O)CSCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000517284363 690053501 /nfs/dbraw/zinc/05/35/01/690053501.db2.gz HHYQGSDTQXZOKF-UHFFFAOYSA-N -1 3 368.820 1.433 20 5 FDBDHM O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436969019 816814353 /nfs/dbraw/zinc/81/43/53/816814353.db2.gz XQHCPDNHIVNTMR-LJQANCHMSA-N -1 3 371.393 1.667 20 5 FDBDHM C[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc[nH]1 ZINC000760402944 839937321 /nfs/dbraw/zinc/93/73/21/839937321.db2.gz GVGAZXKSOZDSIE-VIFPVBQESA-N -1 3 353.356 1.734 20 5 FDBDHM COC(=O)C1([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001129033578 885432535 /nfs/dbraw/zinc/43/25/35/885432535.db2.gz QQWASQQVWYPKPN-UHFFFAOYSA-N -1 3 358.297 1.525 20 5 FDBDHM C[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000921498411 891751124 /nfs/dbraw/zinc/75/11/24/891751124.db2.gz GCDHWYNIEJKVOY-VXNVDRBHSA-N -1 3 354.306 1.927 20 5 FDBDHM COC(=O)c1cc([N-]C(=O)c2c([N+](=O)[O-])c(C)nn2C)cc([N+](=O)[O-])c1 ZINC000736197503 924794790 /nfs/dbraw/zinc/79/47/90/924794790.db2.gz UMSHFHUVVIALEQ-UHFFFAOYSA-N -1 3 363.286 1.584 20 5 FDBDHM CC[C@H](O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000771963932 930984943 /nfs/dbraw/zinc/98/49/43/930984943.db2.gz QAGREDVQKUECEF-VIFPVBQESA-N -1 3 367.221 1.797 20 5 FDBDHM Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000787119246 932172230 /nfs/dbraw/zinc/17/22/30/932172230.db2.gz ABQIQHITCKCGKK-UHFFFAOYSA-N -1 3 370.365 1.481 20 5 FDBDHM Cc1cnc(COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000789440993 933041557 /nfs/dbraw/zinc/04/15/57/933041557.db2.gz ADUWZSUJVCCUNH-CYBMUJFWSA-N -1 3 373.431 1.614 20 5 FDBDHM CC[C@H](C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)N(CC)CC ZINC000789488542 933058637 /nfs/dbraw/zinc/05/86/37/933058637.db2.gz IVTKVBMDSLKXRI-GFCCVEGCSA-N -1 3 357.432 1.829 20 5 FDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])c1[N+](=O)[O-] ZINC000790400148 933541807 /nfs/dbraw/zinc/54/18/07/933541807.db2.gz VGZGFHHGZYUQHR-UHFFFAOYSA-N -1 3 367.343 1.820 20 5 FDBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCCCCO)c1 ZINC000808310881 940540172 /nfs/dbraw/zinc/54/01/72/940540172.db2.gz BRYVVYYLKNBOAW-UHFFFAOYSA-N -1 3 367.221 1.798 20 5 FDBDHM COc1cccc([C@@]2(C)NC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])[nH]3)C2=O)c1 ZINC000813550119 941407962 /nfs/dbraw/zinc/40/79/62/941407962.db2.gz YSGLGGXGPORYQQ-MRXNPFEDSA-N -1 3 373.325 1.044 20 5 FDBDHM CCn1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000819890864 943776290 /nfs/dbraw/zinc/77/62/90/943776290.db2.gz LUAVFLMKFBSIOI-UHFFFAOYSA-N -1 3 353.404 1.610 20 5 FDBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(S(N)(=O)=O)c(C)o1 ZINC000820002211 943857600 /nfs/dbraw/zinc/85/76/00/943857600.db2.gz MNBQLWRWJSIEFV-UHFFFAOYSA-N -1 3 369.355 1.795 20 5 FDBDHM C[C@@H]1CN(CCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000820758761 945553208 /nfs/dbraw/zinc/55/32/08/945553208.db2.gz CQEDANVPRJKDTB-PHIMTYICSA-N -1 3 362.394 1.081 20 5 FDBDHM C[C@@H]1CN(CCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000820758761 945553213 /nfs/dbraw/zinc/55/32/13/945553213.db2.gz CQEDANVPRJKDTB-PHIMTYICSA-N -1 3 362.394 1.081 20 5 FDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823111829 946316393 /nfs/dbraw/zinc/31/63/93/946316393.db2.gz OUIKYHSTAJMPAZ-UHFFFAOYSA-N -1 3 369.337 1.940 20 5 FDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823111829 946316405 /nfs/dbraw/zinc/31/64/05/946316405.db2.gz OUIKYHSTAJMPAZ-UHFFFAOYSA-N -1 3 369.337 1.940 20 5 FDBDHM COc1cc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c([N+](=O)[O-])cc1OC ZINC001144519819 949761581 /nfs/dbraw/zinc/76/15/81/949761581.db2.gz VRICKYFRLOXRIO-UHFFFAOYSA-N -1 3 366.355 1.326 20 5 FDBDHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000845903994 950141887 /nfs/dbraw/zinc/14/18/87/950141887.db2.gz VLXQHRGNKLSACV-IINYFYTJSA-N -1 3 369.374 1.919 20 5 FDBDHM Cc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)n1 ZINC000857221694 971654639 /nfs/dbraw/zinc/65/46/39/971654639.db2.gz MAKGHIYBSLSMET-UHFFFAOYSA-N -1 3 351.388 1.924 20 5 FDBDHM COC[C@@]1(C(=O)[O-])CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC001593966432 956548293 /nfs/dbraw/zinc/54/82/93/956548293.db2.gz FDJJQTXEQKTOAV-MRXNPFEDSA-N -1 3 352.343 1.305 20 5 FDBDHM 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/nfs/dbraw/zinc/28/30/75/536283075.db2.gz GMYAYBYDXQCXSF-UHFFFAOYSA-N -1 3 371.459 1.601 20 5 FDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2nnc(C3CC3)o2)c1C ZINC000189071469 536992617 /nfs/dbraw/zinc/99/26/17/536992617.db2.gz YHOPWOYPJSIDJA-UHFFFAOYSA-N -1 3 352.372 1.951 20 5 FDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccc(C(N)=O)cc2)c1[N+](=O)[O-] ZINC000189803000 537098377 /nfs/dbraw/zinc/09/83/77/537098377.db2.gz KALKDAXRMISYQV-UHFFFAOYSA-N -1 3 363.395 1.789 20 5 FDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)[C@H](C)N2CCOCC2)c1[N+](=O)[O-] ZINC000189949895 537119082 /nfs/dbraw/zinc/11/90/82/537119082.db2.gz RAFUKCAFHGZFKT-KGLIPLIRSA-N -1 3 371.459 1.599 20 5 FDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000189983318 537124270 /nfs/dbraw/zinc/12/42/70/537124270.db2.gz SFQDOOIPLUDZDU-NEPJUHHUSA-N -1 3 355.416 1.534 20 5 FDBDHM O=C1OCCN1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000263993643 537133927 /nfs/dbraw/zinc/13/39/27/537133927.db2.gz KYSNGBRJIKIHML-UHFFFAOYSA-N 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CNENPQWHRYJZNO-FUEXJSSKSA-N -1 3 372.399 1.780 20 5 FDBDHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000503456878 538803800 /nfs/dbraw/zinc/80/38/00/538803800.db2.gz AWBRIEMFPDHBDP-BXUZGUMPSA-N -1 3 358.416 1.644 20 5 FDBDHM CC(=O)Nc1ncc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000561502722 545875974 /nfs/dbraw/zinc/87/59/74/545875974.db2.gz UUEPSKFMYDSRGH-UHFFFAOYSA-N -1 3 356.385 1.488 20 5 FDBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(=O)[nH]c1 ZINC000562576913 546184503 /nfs/dbraw/zinc/18/45/03/546184503.db2.gz JOWMOJCFHKVZPP-UHFFFAOYSA-N -1 3 353.312 1.283 20 5 FDBDHM Cc1c(Cl)cc(S(=O)(=O)[N-][C@@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000563130062 546417859 /nfs/dbraw/zinc/41/78/59/546417859.db2.gz PYKJOYAASYLTTH-LLVKDONJSA-N -1 3 369.777 1.832 20 5 FDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCOC[C@H]1CCOC1 ZINC000563598751 546606642 /nfs/dbraw/zinc/60/66/42/546606642.db2.gz LJLVPHDPLNRULH-CYBMUJFWSA-N -1 3 358.416 1.625 20 5 FDBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000566836878 547901567 /nfs/dbraw/zinc/90/15/67/547901567.db2.gz XGKZTGJWIIKBJV-GFCCVEGCSA-N -1 3 356.342 1.022 20 5 FDBDHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000566888872 547918472 /nfs/dbraw/zinc/91/84/72/547918472.db2.gz CGZWLKNYPPIQTJ-UHFFFAOYSA-N -1 3 371.349 1.451 20 5 FDBDHM CC(C)(C(=O)[O-])N1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000570970714 549479680 /nfs/dbraw/zinc/47/96/80/549479680.db2.gz QHWRMAMCCUIVPO-UHFFFAOYSA-N -1 3 362.308 1.994 20 5 FDBDHM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000573689592 550193352 /nfs/dbraw/zinc/19/33/52/550193352.db2.gz MLXPNIWKXDKYBS-GHMZBOCLSA-N -1 3 374.415 1.441 20 5 FDBDHM C[NH+](C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000573854746 550222278 /nfs/dbraw/zinc/22/22/78/550222278.db2.gz TYKZLFGLLHVZHA-MNOVXSKESA-N -1 3 371.415 1.444 20 5 FDBDHM COCC1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000577747798 550690579 /nfs/dbraw/zinc/69/05/79/550690579.db2.gz ZMEGOBBLSXXQKX-UHFFFAOYSA-N -1 3 372.399 1.476 20 5 FDBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](F)C1 ZINC000579832274 550915349 /nfs/dbraw/zinc/91/53/49/550915349.db2.gz TVNOSEWNQYAVQV-ZJUUUORDSA-N -1 3 360.363 1.940 20 5 FDBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000585708087 551584945 /nfs/dbraw/zinc/58/49/45/551584945.db2.gz SBTWMAPFORLSLS-QWRGUYRKSA-N -1 3 356.322 1.821 20 5 FDBDHM Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])c1[N+](=O)[O-] ZINC000588861473 551694521 /nfs/dbraw/zinc/69/45/21/551694521.db2.gz HMTPJWBZCRIXQX-SFYZADRCSA-N -1 3 362.346 1.120 20 5 FDBDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000590162054 551762632 /nfs/dbraw/zinc/76/26/32/551762632.db2.gz CDCMHFWJZKWMRK-UHFFFAOYSA-N -1 3 355.372 1.941 20 5 FDBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCO[C@@H]1CCCCO1 ZINC000590585615 551794746 /nfs/dbraw/zinc/79/47/46/551794746.db2.gz GFACEANVUNEIQU-CQSZACIVSA-N -1 3 360.388 1.425 20 5 FDBDHM COC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000590760590 551813505 /nfs/dbraw/zinc/81/35/05/551813505.db2.gz DBOGOEMLPAIBNW-NEPJUHHUSA-N -1 3 356.400 1.832 20 5 FDBDHM Cn1nc(C2CC2)nc1CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000592945252 552046955 /nfs/dbraw/zinc/04/69/55/552046955.db2.gz HKBITHZYCWDBSO-UHFFFAOYSA-N -1 3 367.369 2.172 20 5 FDBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000593533815 552125198 /nfs/dbraw/zinc/12/51/98/552125198.db2.gz WGIREUMEFWMKBA-CQSZACIVSA-N -1 3 368.390 1.710 20 5 FDBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)N1CCCC[C@@H]1C ZINC000593539655 552126769 /nfs/dbraw/zinc/12/67/69/552126769.db2.gz DUCJGWDNVZBGMN-WDEREUQCSA-N -1 3 356.404 1.058 20 5 FDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1nnn(C(C)(C)C)n1 ZINC000594476347 552320524 /nfs/dbraw/zinc/32/05/24/552320524.db2.gz NAUUZNSMFUMJSS-UHFFFAOYSA-N -1 3 354.392 1.123 20 5 FDBDHM CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594758849 552373598 /nfs/dbraw/zinc/37/35/98/552373598.db2.gz NHYZNWSPLYFRPR-GFCCVEGCSA-N -1 3 353.400 1.828 20 5 FDBDHM CN1C[C@@H]([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CCC1=O ZINC000594762280 552374763 /nfs/dbraw/zinc/37/47/63/552374763.db2.gz NSEFTDSPPXAWLD-JTQLQIEISA-N -1 3 364.383 1.042 20 5 FDBDHM CCC(O)(CC)C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594763215 552375208 /nfs/dbraw/zinc/37/52/08/552375208.db2.gz XUKXALJCKJQYAS-UHFFFAOYSA-N -1 3 353.400 1.972 20 5 FDBDHM CNC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(C)C ZINC000594770859 552378381 /nfs/dbraw/zinc/37/83/81/552378381.db2.gz PYTGEVCYYNZKGR-ZDUSSCGKSA-N -1 3 366.399 1.192 20 5 FDBDHM CC(C)[C@@](C)([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(N)=O ZINC000594777791 552381266 /nfs/dbraw/zinc/38/12/66/552381266.db2.gz GJJUPOGYLCTMKU-OAHLLOKOSA-N -1 3 366.399 1.321 20 5 FDBDHM O=C1CC[C@H]([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CCN1 ZINC000594783348 552383271 /nfs/dbraw/zinc/38/32/71/552383271.db2.gz DNMMDIZLJSHAKW-JTQLQIEISA-N -1 3 364.383 1.090 20 5 FDBDHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000594805346 552391734 /nfs/dbraw/zinc/39/17/34/552391734.db2.gz WBOIVMFTCYOAJE-JSGCOSHPSA-N -1 3 358.416 1.541 20 5 FDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCN1C[C@@H](C)OC[C@@H]1C ZINC000594817427 552396545 /nfs/dbraw/zinc/39/65/45/552396545.db2.gz QZNJCFJTAOBFES-QWHCGFSZSA-N -1 3 357.432 1.291 20 5 FDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCO[C@@H]1CC1(F)F ZINC000594840433 552403898 /nfs/dbraw/zinc/40/38/98/552403898.db2.gz PTNWIRYCCIOTNL-LLVKDONJSA-N -1 3 352.315 1.306 20 5 FDBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CC[C@@H](C)S(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000594847327 552407137 /nfs/dbraw/zinc/40/71/37/552407137.db2.gz DDLAFGXSWOEGAG-APPZFPTMSA-N -1 3 368.458 1.209 20 5 FDBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C[C@H](CO)CC1CC1)OCCO2 ZINC000594866312 552414839 /nfs/dbraw/zinc/41/48/39/552414839.db2.gz VGFFCEHRQRUSOU-LLVKDONJSA-N -1 3 372.399 1.053 20 5 FDBDHM C[C@H]1CCCCN1C(=O)CN1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596071203 552652212 /nfs/dbraw/zinc/65/22/12/552652212.db2.gz LSEGOAVWLZCKDK-ZDUSSCGKSA-N -1 3 363.418 1.218 20 5 FDBDHM COc1cccc(CC(=O)N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC000596094626 552654599 /nfs/dbraw/zinc/65/45/99/552654599.db2.gz WEHNVBFGNLTHPG-UHFFFAOYSA-N -1 3 372.381 1.595 20 5 FDBDHM O=c1[n-]ccc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1[N+](=O)[O-] ZINC000596190827 552663219 /nfs/dbraw/zinc/66/32/19/552663219.db2.gz XVWVTWXJZONVQT-LBPRGKRZSA-N -1 3 370.431 1.526 20 5 FDBDHM O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC2(CC2)C1 ZINC000597261573 552766285 /nfs/dbraw/zinc/76/62/85/552766285.db2.gz LDHJNKGHSMUXTI-UHFFFAOYSA-N -1 3 353.400 1.180 20 5 FDBDHM O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000597990265 552853025 /nfs/dbraw/zinc/85/30/25/552853025.db2.gz KHWWXRPETCPLHO-HNNXBMFYSA-N -1 3 371.393 1.797 20 5 FDBDHM CN(CC1=CCSC1)C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000598516238 552904279 /nfs/dbraw/zinc/90/42/79/552904279.db2.gz QECNJOLGFSHGFF-UHFFFAOYSA-N -1 3 371.440 1.005 20 5 FDBDHM CNC(=O)c1cc(O[C@@H]2CCCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)ccn1 ZINC000599108863 552968930 /nfs/dbraw/zinc/96/89/30/552968930.db2.gz YOSVMORUFMMXSJ-GFCCVEGCSA-N -1 3 373.369 1.498 20 5 FDBDHM C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCCN(C2CCC2)C1 ZINC000599271467 553010812 /nfs/dbraw/zinc/01/08/12/553010812.db2.gz LERZDGHWKGWWOG-RYUDHWBXSA-N -1 3 371.463 1.260 20 5 FDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](O)[C@@H]1CCCO1 ZINC000599392384 553043497 /nfs/dbraw/zinc/04/34/97/553043497.db2.gz SGDWEJJNYYXPIJ-MNOVXSKESA-N -1 3 350.780 1.066 20 5 FDBDHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000599460081 553063199 /nfs/dbraw/zinc/06/31/99/553063199.db2.gz SDKBRXUGAKEGOB-AMDHYVTDSA-N -1 3 372.399 1.456 20 5 FDBDHM Cc1noc([C@@H]2OCC[C@@H]2[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000599515123 553078291 /nfs/dbraw/zinc/07/82/91/553078291.db2.gz OBSDEZXPCWVOLA-GZMMTYOYSA-N -1 3 374.400 1.465 20 5 FDBDHM COC(=O)COc1ccc(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000600799149 553315987 /nfs/dbraw/zinc/31/59/87/553315987.db2.gz DLADAFHHOVEQSO-YPMHNXCESA-N -1 3 366.370 1.689 20 5 FDBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000603941042 553832433 /nfs/dbraw/zinc/83/24/33/553832433.db2.gz PBZGZFOKWQHCCG-UHFFFAOYSA-N -1 3 354.282 1.756 20 5 FDBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000603941042 553832436 /nfs/dbraw/zinc/83/24/36/553832436.db2.gz PBZGZFOKWQHCCG-UHFFFAOYSA-N -1 3 354.282 1.756 20 5 FDBDHM O=C(COc1ccccc1[N+](=O)[O-])NCCCNC(=O)c1cccc([O-])c1 ZINC000608839608 554323897 /nfs/dbraw/zinc/32/38/97/554323897.db2.gz QSKPOOYSLXPIBL-UHFFFAOYSA-N 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Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCc3c(nc[n-]c3=O)C2)c1 ZINC000613483858 554930487 /nfs/dbraw/zinc/93/04/87/554930487.db2.gz SQIXWAFCNGDHFC-UHFFFAOYSA-N -1 3 364.383 1.454 20 5 FDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCCc2c[nH]nc21 ZINC000619491840 555787944 /nfs/dbraw/zinc/78/79/44/555787944.db2.gz WXKOPSKWZKVUAQ-SNVBAGLBSA-N -1 3 352.372 1.682 20 5 FDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](CO)c1ccsc1 ZINC000619497401 555789595 /nfs/dbraw/zinc/78/95/95/555789595.db2.gz QVWBMPKMQKXAKQ-SNVBAGLBSA-N -1 3 358.397 1.677 20 5 FDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1nnc(C2CC2)o1 ZINC000619497905 555790022 /nfs/dbraw/zinc/79/00/22/555790022.db2.gz OAQWFPRBUONXPP-UHFFFAOYSA-N -1 3 354.344 1.342 20 5 FDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C)cn(C)c1=O ZINC000481570257 568052125 /nfs/dbraw/zinc/05/21/25/568052125.db2.gz MQIVBXYIDDPDBS-UHFFFAOYSA-N -1 3 353.356 1.411 20 5 FDBDHM Cc1ccc([N+](=O)[O-])c(NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)n1 ZINC000481678252 568085205 /nfs/dbraw/zinc/08/52/05/568085205.db2.gz OGVRIAZYDVESKT-KRWDZBQOSA-N -1 3 355.354 1.965 20 5 FDBDHM O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000436648011 568232599 /nfs/dbraw/zinc/23/25/99/568232599.db2.gz ONUSJPVXMPABLU-UHFFFAOYSA-N -1 3 371.349 1.604 20 5 FDBDHM C[C@H](Oc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1)C(N)=O ZINC000820536509 599035442 /nfs/dbraw/zinc/03/54/42/599035442.db2.gz VJGKUTNKPAZQRT-VIFPVBQESA-N -1 3 370.325 1.820 20 5 FDBDHM C[C@H](Oc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1)C(N)=O ZINC000820536509 599035445 /nfs/dbraw/zinc/03/54/45/599035445.db2.gz VJGKUTNKPAZQRT-VIFPVBQESA-N -1 3 370.325 1.820 20 5 FDBDHM C[C@@H](Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1)C(N)=O ZINC000820534629 599036505 /nfs/dbraw/zinc/03/65/05/599036505.db2.gz LYFMKSHPXBNUFI-SECBINFHSA-N -1 3 370.325 1.820 20 5 FDBDHM C[C@@H](Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1)C(N)=O ZINC000820534629 599036508 /nfs/dbraw/zinc/03/65/08/599036508.db2.gz LYFMKSHPXBNUFI-SECBINFHSA-N -1 3 370.325 1.820 20 5 FDBDHM NC(=O)[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739173 599096721 /nfs/dbraw/zinc/09/67/21/599096721.db2.gz WWBOQLGSXZTVHB-CQSZACIVSA-N -1 3 353.342 1.091 20 5 FDBDHM NC(=O)[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739173 599096724 /nfs/dbraw/zinc/09/67/24/599096724.db2.gz WWBOQLGSXZTVHB-CQSZACIVSA-N -1 3 353.342 1.091 20 5 FDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737500915 599223695 /nfs/dbraw/zinc/22/36/95/599223695.db2.gz RBXWZCNXZWSWIC-UHFFFAOYSA-N -1 3 369.341 1.287 20 5 FDBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000738087738 599223720 /nfs/dbraw/zinc/22/37/20/599223720.db2.gz ACTZVIVUJRGQSB-UHFFFAOYSA-N -1 3 354.326 1.584 20 5 FDBDHM NC(=O)CCN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822868988 607305678 /nfs/dbraw/zinc/30/56/78/607305678.db2.gz KXIJZHJXUYQLHX-UHFFFAOYSA-N -1 3 367.369 1.657 20 5 FDBDHM NC(=O)CCN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822868988 607305679 /nfs/dbraw/zinc/30/56/79/607305679.db2.gz KXIJZHJXUYQLHX-UHFFFAOYSA-N -1 3 367.369 1.657 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCCN(CC(F)(F)F)CC2)c(-c2nnn[n-]2)c1 ZINC000738368617 598239081 /nfs/dbraw/zinc/23/90/81/598239081.db2.gz GDOXMINDWKNDIH-UHFFFAOYSA-N -1 3 372.311 1.244 20 5 FDBDHM O=[N+]([O-])c1cnc(N2CCCN(CC(F)(F)F)CC2)c(-c2nn[n-]n2)c1 ZINC000738368617 598239082 /nfs/dbraw/zinc/23/90/82/598239082.db2.gz GDOXMINDWKNDIH-UHFFFAOYSA-N -1 3 372.311 1.244 20 5 FDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737500708 598282493 /nfs/dbraw/zinc/28/24/93/598282493.db2.gz OQNUUJKLNMJXFK-UHFFFAOYSA-N -1 3 357.305 1.894 20 5 FDBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737500708 598282494 /nfs/dbraw/zinc/28/24/94/598282494.db2.gz OQNUUJKLNMJXFK-UHFFFAOYSA-N -1 3 357.305 1.894 20 5 FDBDHM CC(C)C(=O)NC[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735685276 598298465 /nfs/dbraw/zinc/29/84/65/598298465.db2.gz SSXQFWXRKGTULB-NSHDSACASA-N -1 3 374.405 1.159 20 5 FDBDHM CC(C)C(=O)NC[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735685276 598298468 /nfs/dbraw/zinc/29/84/68/598298468.db2.gz SSXQFWXRKGTULB-NSHDSACASA-N -1 3 374.405 1.159 20 5 FDBDHM CCCC(=O)NC[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736415231 598298671 /nfs/dbraw/zinc/29/86/71/598298671.db2.gz FBDFCACHXXBIEI-LLVKDONJSA-N -1 3 374.405 1.303 20 5 FDBDHM CCCC(=O)NC[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736415231 598298673 /nfs/dbraw/zinc/29/86/73/598298673.db2.gz FBDFCACHXXBIEI-LLVKDONJSA-N -1 3 374.405 1.303 20 5 FDBDHM Cn1c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2n(C)c1=O ZINC000737590010 598501434 /nfs/dbraw/zinc/50/14/34/598501434.db2.gz OGOVBFYVYAEGHL-UHFFFAOYSA-N -1 3 367.329 1.104 20 5 FDBDHM Cn1c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2n(C)c1=O ZINC000737590010 598501435 /nfs/dbraw/zinc/50/14/35/598501435.db2.gz OGOVBFYVYAEGHL-UHFFFAOYSA-N -1 3 367.329 1.104 20 5 FDBDHM Cc1nnc([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)o1 ZINC000737522814 598501446 /nfs/dbraw/zinc/50/14/46/598501446.db2.gz QZMJKZIJHGSURE-SECBINFHSA-N -1 3 357.334 1.245 20 5 FDBDHM Cc1nnc([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)o1 ZINC000737522814 598501447 /nfs/dbraw/zinc/50/14/47/598501447.db2.gz QZMJKZIJHGSURE-SECBINFHSA-N -1 3 357.334 1.245 20 5 FDBDHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCS2)c1ccccc1[N+](=O)[O-] ZINC000738206406 598615769 /nfs/dbraw/zinc/61/57/69/598615769.db2.gz HCFPUINLOXLBBW-UHFFFAOYSA-N -1 3 358.343 1.329 20 5 FDBDHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCS2)c1ccccc1[N+](=O)[O-] ZINC000738206406 598615771 /nfs/dbraw/zinc/61/57/71/598615771.db2.gz HCFPUINLOXLBBW-UHFFFAOYSA-N -1 3 358.343 1.329 20 5 FDBDHM Nc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)cn1 ZINC000737776599 598628761 /nfs/dbraw/zinc/62/87/61/598628761.db2.gz RPTSSXDNUBZUMF-UHFFFAOYSA-N -1 3 367.373 1.079 20 5 FDBDHM COc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1[N+](=O)[O-] ZINC000737083284 598658268 /nfs/dbraw/zinc/65/82/68/598658268.db2.gz OKJRZQYNISGFIV-UHFFFAOYSA-N -1 3 355.314 1.360 20 5 FDBDHM COc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1[N+](=O)[O-] ZINC000737083284 598658269 /nfs/dbraw/zinc/65/82/69/598658269.db2.gz OKJRZQYNISGFIV-UHFFFAOYSA-N -1 3 355.314 1.360 20 5 FDBDHM Cn1cnc([N+](=O)[O-])c1NCCSCc1ccccc1-c1nnn[n-]1 ZINC000822699360 599311647 /nfs/dbraw/zinc/31/16/47/599311647.db2.gz YCTXNVRABNGVNZ-UHFFFAOYSA-N -1 3 360.403 1.854 20 5 FDBDHM Cn1cnc([N+](=O)[O-])c1NCCSCc1ccccc1-c1nn[n-]n1 ZINC000822699360 599311648 /nfs/dbraw/zinc/31/16/48/599311648.db2.gz YCTXNVRABNGVNZ-UHFFFAOYSA-N -1 3 360.403 1.854 20 5 FDBDHM Cc1ccc(OCCN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000822262814 599365656 /nfs/dbraw/zinc/36/56/56/599365656.db2.gz FIGDVYKJDDMZDJ-UHFFFAOYSA-N -1 3 355.358 1.994 20 5 FDBDHM Cc1ccc(OCCN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000822262814 599365658 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HLWSQDXUTSMPHT-UHFFFAOYSA-N -1 3 366.337 1.743 20 5 FDBDHM O=C(COc1cccc(-c2nn[n-]n2)c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000737924518 599546898 /nfs/dbraw/zinc/54/68/98/599546898.db2.gz HLWSQDXUTSMPHT-UHFFFAOYSA-N -1 3 366.337 1.743 20 5 FDBDHM CCc1n[nH]c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000821461729 599555607 /nfs/dbraw/zinc/55/56/07/599555607.db2.gz RNNHRUIJKGURJJ-QMMMGPOBSA-N -1 3 356.346 1.551 20 5 FDBDHM O=[N+]([O-])c1cccc2c1CCN2S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738370527 599596301 /nfs/dbraw/zinc/59/63/01/599596301.db2.gz VAJAHMVPALUMSR-UHFFFAOYSA-N -1 3 372.366 1.526 20 5 FDBDHM O=[N+]([O-])c1cccc2c1CCN2S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738370527 599596302 /nfs/dbraw/zinc/59/63/02/599596302.db2.gz VAJAHMVPALUMSR-UHFFFAOYSA-N -1 3 372.366 1.526 20 5 FDBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000820768594 599687980 /nfs/dbraw/zinc/68/79/80/599687980.db2.gz ONAZAZFEYDQFOF-RDDDGLTNSA-N -1 3 358.280 1.931 20 5 FDBDHM 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COc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000609122030 554339234 /nfs/dbraw/zinc/33/92/34/554339234.db2.gz PIVYLIRVHJWDSR-GFCCVEGCSA-N -1 3 364.379 1.885 20 5 FDBDHM CSc1nnc(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)[n-]1 ZINC000609170717 554346261 /nfs/dbraw/zinc/34/62/61/554346261.db2.gz YMXYYFWSSJFYMK-SSDOTTSWSA-N -1 3 350.360 1.192 20 5 FDBDHM CSc1n[n-]c(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000609170717 554346263 /nfs/dbraw/zinc/34/62/63/554346263.db2.gz YMXYYFWSSJFYMK-SSDOTTSWSA-N -1 3 350.360 1.192 20 5 FDBDHM CSc1nc(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000609170717 554346265 /nfs/dbraw/zinc/34/62/65/554346265.db2.gz YMXYYFWSSJFYMK-SSDOTTSWSA-N -1 3 350.360 1.192 20 5 FDBDHM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCN(Cc2ccccc2)C1 ZINC000610211873 554474254 /nfs/dbraw/zinc/47/42/54/554474254.db2.gz DQBDSSJKDHVVCT-AWEZNQCLSA-N -1 3 362.411 1.543 20 5 FDBDHM C[C@@]1(c2cccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)c2)NC(=O)[N-]C1=O ZINC000610224773 554475477 /nfs/dbraw/zinc/47/54/77/554475477.db2.gz QLPRNCVSIYNXLU-SFHVURJKSA-N -1 3 368.349 1.831 20 5 FDBDHM O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC12CCC2 ZINC000610739415 554556291 /nfs/dbraw/zinc/55/62/91/554556291.db2.gz NBMLPHBRLUBWBV-LLVKDONJSA-N -1 3 353.400 1.180 20 5 FDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1(OC)CCOCC1 ZINC000610958002 554587869 /nfs/dbraw/zinc/58/78/69/554587869.db2.gz AYZBTTGQWYBJAR-UHFFFAOYSA-N -1 3 360.388 1.077 20 5 FDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](CO)c1c(F)cccc1F ZINC000611021637 554595483 /nfs/dbraw/zinc/59/54/83/554595483.db2.gz IANWKQOIQDNNIW-LLVKDONJSA-N -1 3 358.322 1.885 20 5 FDBDHM CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000611118482 554607315 /nfs/dbraw/zinc/60/73/15/554607315.db2.gz TVBYHSYBWUIJRJ-NSHDSACASA-N -1 3 363.823 1.687 20 5 FDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1ccc(CO)cc1 ZINC000611417112 554632156 /nfs/dbraw/zinc/63/21/56/554632156.db2.gz PGQVGEBWWVINGZ-UHFFFAOYSA-N -1 3 366.395 1.617 20 5 FDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC(=O)NC2CCCC2)c1[N+](=O)[O-] ZINC000616412776 555301237 /nfs/dbraw/zinc/30/12/37/555301237.db2.gz FXHBAEJBFKXUJP-UHFFFAOYSA-N -1 3 355.416 1.549 20 5 FDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](CO)c1ccccc1C ZINC000619488549 555786886 /nfs/dbraw/zinc/78/68/86/555786886.db2.gz KCJDBFOIWPCCTH-CYBMUJFWSA-N -1 3 366.395 1.924 20 5 FDBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC(=O)NC23CCC3)c([N+](=O)[O-])c1 ZINC000619796978 555835359 /nfs/dbraw/zinc/83/53/59/555835359.db2.gz ZVKLWQLXGLRZLZ-CYBMUJFWSA-N -1 3 353.400 1.383 20 5 FDBDHM CC[C@H]1CCC[C@H]1CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000453000640 568217006 /nfs/dbraw/zinc/21/70/06/568217006.db2.gz OSAYVTICHYIKGG-STQMWFEESA-N -1 3 369.443 1.816 20 5 FDBDHM CN(C)C(=O)[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736746950 598945539 /nfs/dbraw/zinc/94/55/39/598945539.db2.gz PJIASMKGTZZVAV-VHSXEESVSA-N -1 3 360.378 1.229 20 5 FDBDHM CN(C)C(=O)[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736746950 598945542 /nfs/dbraw/zinc/94/55/42/598945542.db2.gz PJIASMKGTZZVAV-VHSXEESVSA-N -1 3 360.378 1.229 20 5 FDBDHM NC(=O)[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000737734750 599092002 /nfs/dbraw/zinc/09/20/02/599092002.db2.gz AUELKFHKUIGNHS-AWEZNQCLSA-N -1 3 353.342 1.091 20 5 FDBDHM NC(=O)[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000737734750 599092005 /nfs/dbraw/zinc/09/20/05/599092005.db2.gz AUELKFHKUIGNHS-AWEZNQCLSA-N -1 3 353.342 1.091 20 5 FDBDHM Cc1ccc(NC(=O)CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000822242806 599149023 /nfs/dbraw/zinc/14/90/23/599149023.db2.gz YHMZQALGUQSGGK-UHFFFAOYSA-N -1 3 368.357 1.553 20 5 FDBDHM Cc1ccc(NC(=O)CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000822242806 599149026 /nfs/dbraw/zinc/14/90/26/599149026.db2.gz YHMZQALGUQSGGK-UHFFFAOYSA-N -1 3 368.357 1.553 20 5 FDBDHM Cc1sc(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000737560575 599221278 /nfs/dbraw/zinc/22/12/78/599221278.db2.gz GKCHBLSYYKLMEU-UHFFFAOYSA-N -1 3 374.382 1.954 20 5 FDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822068804 607295089 /nfs/dbraw/zinc/29/50/89/607295089.db2.gz VDLCFNUZFMLXPG-UHFFFAOYSA-N -1 3 356.346 1.617 20 5 FDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822068804 607295090 /nfs/dbraw/zinc/29/50/90/607295090.db2.gz VDLCFNUZFMLXPG-UHFFFAOYSA-N -1 3 356.346 1.617 20 5 FDBDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000821109478 607305238 /nfs/dbraw/zinc/30/52/38/607305238.db2.gz JYXUJESDRBFNDW-UHFFFAOYSA-N -1 3 355.362 1.564 20 5 FDBDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000821109478 607305239 /nfs/dbraw/zinc/30/52/39/607305239.db2.gz JYXUJESDRBFNDW-UHFFFAOYSA-N -1 3 355.362 1.564 20 5 FDBDHM O=[N+]([O-])c1cnc(NCc2nnc3n2CCCCC3)c(-c2nnn[n-]2)c1 ZINC000823650901 599285996 /nfs/dbraw/zinc/28/59/96/599285996.db2.gz DAGDNTLICDHJIV-UHFFFAOYSA-N -1 3 356.350 1.100 20 5 FDBDHM O=[N+]([O-])c1cnc(NCc2nnc3n2CCCCC3)c(-c2nn[n-]n2)c1 ZINC000823650901 599285998 /nfs/dbraw/zinc/28/59/98/599285998.db2.gz DAGDNTLICDHJIV-UHFFFAOYSA-N -1 3 356.350 1.100 20 5 FDBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000736139167 598352530 /nfs/dbraw/zinc/35/25/30/598352530.db2.gz OYGXHPPZMIGUFH-WDEREUQCSA-N -1 3 359.390 1.976 20 5 FDBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000736139167 598352532 /nfs/dbraw/zinc/35/25/32/598352532.db2.gz OYGXHPPZMIGUFH-WDEREUQCSA-N -1 3 359.390 1.976 20 5 FDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737486777 598483761 /nfs/dbraw/zinc/48/37/61/598483761.db2.gz DMVBCXDVCFCIQV-VIFPVBQESA-N -1 3 357.330 1.584 20 5 FDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737486777 598483762 /nfs/dbraw/zinc/48/37/62/598483762.db2.gz DMVBCXDVCFCIQV-VIFPVBQESA-N -1 3 357.330 1.584 20 5 FDBDHM Cc1noc([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)n1 ZINC000737534820 598499330 /nfs/dbraw/zinc/49/93/30/598499330.db2.gz MRVMWUDRLPDCPW-SECBINFHSA-N -1 3 357.334 1.245 20 5 FDBDHM Cc1noc([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)n1 ZINC000737534820 598499332 /nfs/dbraw/zinc/49/93/32/598499332.db2.gz MRVMWUDRLPDCPW-SECBINFHSA-N -1 3 357.334 1.245 20 5 FDBDHM O=[N+]([O-])c1cnc(Nc2cnn(Cc3ccccn3)c2)c(-c2nnn[n-]2)c1 ZINC000738373729 598501202 /nfs/dbraw/zinc/50/12/02/598501202.db2.gz GGCZAYSYKCSWPU-UHFFFAOYSA-N -1 3 364.329 1.553 20 5 FDBDHM O=[N+]([O-])c1cnc(Nc2cnn(Cc3ccccn3)c2)c(-c2nn[n-]n2)c1 ZINC000738373729 598501204 /nfs/dbraw/zinc/50/12/04/598501204.db2.gz GGCZAYSYKCSWPU-UHFFFAOYSA-N -1 3 364.329 1.553 20 5 FDBDHM COc1ccc(CC(=O)Nc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737084166 598571952 /nfs/dbraw/zinc/57/19/52/598571952.db2.gz YNYNQEFEBIIMNP-UHFFFAOYSA-N -1 3 354.326 1.965 20 5 FDBDHM COc1ccc(CC(=O)Nc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737084166 598571953 /nfs/dbraw/zinc/57/19/53/598571953.db2.gz YNYNQEFEBIIMNP-UHFFFAOYSA-N -1 3 354.326 1.965 20 5 FDBDHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000738192611 598572616 /nfs/dbraw/zinc/57/26/16/598572616.db2.gz SPYNIMHYLHRQRZ-UHFFFAOYSA-N -1 3 368.309 1.798 20 5 FDBDHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000738192611 598572617 /nfs/dbraw/zinc/57/26/17/598572617.db2.gz SPYNIMHYLHRQRZ-UHFFFAOYSA-N -1 3 368.309 1.798 20 5 FDBDHM O=[N+]([O-])c1ccc(NCc2n[nH]cc2Br)c(-c2nnn[n-]2)c1 ZINC000738368343 598593466 /nfs/dbraw/zinc/59/34/66/598593466.db2.gz CNQFIVCFNDLVFC-UHFFFAOYSA-N -1 3 365.151 1.873 20 5 FDBDHM O=[N+]([O-])c1ccc(NCc2n[nH]cc2Br)c(-c2nn[n-]n2)c1 ZINC000738368343 598593468 /nfs/dbraw/zinc/59/34/68/598593468.db2.gz CNQFIVCFNDLVFC-UHFFFAOYSA-N -1 3 365.151 1.873 20 5 FDBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000738152048 598664156 /nfs/dbraw/zinc/66/41/56/598664156.db2.gz QGVCMCRRQNTSMI-UHFFFAOYSA-N -1 3 355.270 1.151 20 5 FDBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000738152048 598664158 /nfs/dbraw/zinc/66/41/58/598664158.db2.gz QGVCMCRRQNTSMI-UHFFFAOYSA-N -1 3 355.270 1.151 20 5 FDBDHM O=[N+]([O-])c1cccc(OS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000738369713 598686262 /nfs/dbraw/zinc/68/62/62/598686262.db2.gz MOEOBBAQMFPTPV-UHFFFAOYSA-N -1 3 365.302 1.682 20 5 FDBDHM COC(=O)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc([N+](=O)[O-])c1 ZINC000736941826 598804510 /nfs/dbraw/zinc/80/45/10/598804510.db2.gz WHGILQNJZQMDOR-UHFFFAOYSA-N -1 3 369.297 1.209 20 5 FDBDHM COC(=O)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc([N+](=O)[O-])c1 ZINC000736941826 598804511 /nfs/dbraw/zinc/80/45/11/598804511.db2.gz WHGILQNJZQMDOR-UHFFFAOYSA-N -1 3 369.297 1.209 20 5 FDBDHM CCS(=O)(=O)C[C@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736656895 598818720 /nfs/dbraw/zinc/81/87/20/598818720.db2.gz OHVSRYUZBSSYDD-VIFPVBQESA-N -1 3 354.392 1.034 20 5 FDBDHM CCS(=O)(=O)C[C@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736656895 598818722 /nfs/dbraw/zinc/81/87/22/598818722.db2.gz OHVSRYUZBSSYDD-VIFPVBQESA-N -1 3 354.392 1.034 20 5 FDBDHM CCS(=O)(=O)C[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736656894 598819115 /nfs/dbraw/zinc/81/91/15/598819115.db2.gz OHVSRYUZBSSYDD-SECBINFHSA-N -1 3 354.392 1.034 20 5 FDBDHM CCS(=O)(=O)C[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736656894 598819116 /nfs/dbraw/zinc/81/91/16/598819116.db2.gz OHVSRYUZBSSYDD-SECBINFHSA-N -1 3 354.392 1.034 20 5 FDBDHM COc1ccc(-c2nnn[n-]2)cc1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000821752175 607377735 /nfs/dbraw/zinc/37/77/35/607377735.db2.gz HSDVFLVGAWZVOE-UHFFFAOYSA-N -1 3 368.309 1.740 20 5 FDBDHM COc1ccc(-c2nn[n-]n2)cc1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000821752175 607377737 /nfs/dbraw/zinc/37/77/37/607377737.db2.gz HSDVFLVGAWZVOE-UHFFFAOYSA-N -1 3 368.309 1.740 20 5 FDBDHM CN1CCO[C@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821628751 599506172 /nfs/dbraw/zinc/50/61/72/599506172.db2.gz PGTGZFXJSOWKKC-LLVKDONJSA-N -1 3 370.373 1.066 20 5 FDBDHM CN1CCO[C@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821628751 599506175 /nfs/dbraw/zinc/50/61/75/599506175.db2.gz PGTGZFXJSOWKKC-LLVKDONJSA-N -1 3 370.373 1.066 20 5 FDBDHM CCCc1n[nH]c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000821139177 599519652 /nfs/dbraw/zinc/51/96/52/599519652.db2.gz QVXPURBURHXMPO-VIFPVBQESA-N -1 3 370.373 1.942 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC1(O)Cc2ccccc2C1 ZINC000738357646 599535772 /nfs/dbraw/zinc/53/57/72/599535772.db2.gz GZSYVTMTAXEOBQ-UHFFFAOYSA-N -1 3 352.354 1.717 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC1(O)Cc2ccccc2C1 ZINC000738357646 599535775 /nfs/dbraw/zinc/53/57/75/599535775.db2.gz GZSYVTMTAXEOBQ-UHFFFAOYSA-N -1 3 352.354 1.717 20 5 FDBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H](C(F)(F)F)O1 ZINC000820776233 599688025 /nfs/dbraw/zinc/68/80/25/599688025.db2.gz LFHFXFCXIMKFKF-MUWHJKNJSA-N -1 3 359.268 1.326 20 5 FDBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H](C(F)(F)F)O1 ZINC000820776233 599688026 /nfs/dbraw/zinc/68/80/26/599688026.db2.gz LFHFXFCXIMKFKF-MUWHJKNJSA-N -1 3 359.268 1.326 20 5 FDBDHM Cc1cccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000826304365 607572073 /nfs/dbraw/zinc/57/20/73/607572073.db2.gz IPZHMGQVLQTWHZ-UHFFFAOYSA-N -1 3 361.339 1.851 20 5 FDBDHM CN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC1 ZINC000833697930 605019222 /nfs/dbraw/zinc/01/92/22/605019222.db2.gz JPOLDVVRMSDDKT-UHFFFAOYSA-N -1 3 367.427 1.986 20 5 FDBDHM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000834109254 605646973 /nfs/dbraw/zinc/64/69/73/605646973.db2.gz SQMKSENCOQLBBO-UKRRQHHQSA-N -1 3 364.402 1.611 20 5 FDBDHM CC(C)(C)OC(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000819923221 606100730 /nfs/dbraw/zinc/10/07/30/606100730.db2.gz VPTXSZFHXALJKJ-SNVBAGLBSA-N -1 3 360.374 1.943 20 5 FDBDHM CC(C)(C)OC(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 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O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccccn3)C2)c(-c2nnn[n-]2)c1 ZINC000826498986 607811096 /nfs/dbraw/zinc/81/10/96/607811096.db2.gz QYLVNZCLXZYDMJ-NSHDSACASA-N -1 3 352.358 1.861 20 5 FDBDHM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccccn3)C2)c(-c2nn[n-]n2)c1 ZINC000826498986 607811097 /nfs/dbraw/zinc/81/10/97/607811097.db2.gz QYLVNZCLXZYDMJ-NSHDSACASA-N -1 3 352.358 1.861 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000826497854 607821152 /nfs/dbraw/zinc/82/11/52/607821152.db2.gz WQZDEUQZXDBOTG-CZUORRHYSA-N -1 3 370.369 1.671 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000826497854 607821153 /nfs/dbraw/zinc/82/11/53/607821153.db2.gz WQZDEUQZXDBOTG-CZUORRHYSA-N -1 3 370.369 1.671 20 5 FDBDHM O=[N+]([O-])c1ccccc1N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000826500668 607838358 /nfs/dbraw/zinc/83/83/58/607838358.db2.gz HMNZBNYQGBFTLM-UHFFFAOYSA-N -1 3 352.358 1.497 20 5 FDBDHM O=[N+]([O-])c1ccccc1N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000826500668 607838359 /nfs/dbraw/zinc/83/83/59/607838359.db2.gz HMNZBNYQGBFTLM-UHFFFAOYSA-N -1 3 352.358 1.497 20 5 FDBDHM CO[C@@H]1CC[C@H]2OCCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])[C@H]2C1 ZINC000826145635 607850326 /nfs/dbraw/zinc/85/03/26/607850326.db2.gz KBTJGVUCBAUHDL-BYCMXARLSA-N -1 3 360.374 1.548 20 5 FDBDHM CO[C@@H]1CC[C@H]2OCCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])[C@H]2C1 ZINC000826145635 607850327 /nfs/dbraw/zinc/85/03/27/607850327.db2.gz KBTJGVUCBAUHDL-BYCMXARLSA-N -1 3 360.374 1.548 20 5 FDBDHM COc1cc(-c2nnn[n-]2)ccc1OC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826174814 607872175 /nfs/dbraw/zinc/87/21/75/607872175.db2.gz KIYFSVSXKQDPBE-ZDUSSCGKSA-N -1 3 357.326 1.896 20 5 FDBDHM COc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826174814 607872176 /nfs/dbraw/zinc/87/21/76/607872176.db2.gz KIYFSVSXKQDPBE-ZDUSSCGKSA-N -1 3 357.326 1.896 20 5 FDBDHM Cc1c(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826242857 607873283 /nfs/dbraw/zinc/87/32/83/607873283.db2.gz 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O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](CO)Cc1ccc(F)cc1 ZINC000826497805 608305822 /nfs/dbraw/zinc/30/58/22/608305822.db2.gz VNFYZMOHHQZIQI-CYBMUJFWSA-N -1 3 358.333 1.930 20 5 FDBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000826172781 608363898 /nfs/dbraw/zinc/36/38/98/608363898.db2.gz XAXUCDTWAHRIBN-UHFFFAOYSA-N -1 3 356.298 1.536 20 5 FDBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000826172781 608363900 /nfs/dbraw/zinc/36/39/00/608363900.db2.gz XAXUCDTWAHRIBN-UHFFFAOYSA-N -1 3 356.298 1.536 20 5 FDBDHM C[C@@H](N[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824530097 608391498 /nfs/dbraw/zinc/39/14/98/608391498.db2.gz JMAWATFZLWGKQY-BMIGLBTASA-N -1 3 367.369 1.652 20 5 FDBDHM C[C@@H](N[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824530097 608391500 /nfs/dbraw/zinc/39/15/00/608391500.db2.gz JMAWATFZLWGKQY-BMIGLBTASA-N -1 3 367.369 1.652 20 5 FDBDHM CN(C)C(=O)CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000825838864 609311079 /nfs/dbraw/zinc/31/10/79/609311079.db2.gz DLHIZXOKBDKMHN-UHFFFAOYSA-N -1 3 359.390 1.470 20 5 FDBDHM CN(C)C(=O)CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000825838864 609311080 /nfs/dbraw/zinc/31/10/80/609311080.db2.gz DLHIZXOKBDKMHN-UHFFFAOYSA-N -1 3 359.390 1.470 20 5 FDBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000826184033 609384761 /nfs/dbraw/zinc/38/47/61/609384761.db2.gz IQOMXZILQCQZHB-UHFFFAOYSA-N -1 3 371.313 1.118 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCOCC2(CCOCC2)C1 ZINC000826497880 609608138 /nfs/dbraw/zinc/60/81/38/609608138.db2.gz XNBLNIHOULPMFT-UHFFFAOYSA-N -1 3 360.374 1.408 20 5 FDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCOCC2(CCOCC2)C1 ZINC000826497880 609608140 /nfs/dbraw/zinc/60/81/40/609608140.db2.gz XNBLNIHOULPMFT-UHFFFAOYSA-N -1 3 360.374 1.408 20 5 FDBDHM O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826465050 609635538 /nfs/dbraw/zinc/63/55/38/609635538.db2.gz WQUCPSVOJHFGIW-AWEZNQCLSA-N -1 3 373.300 1.691 20 5 FDBDHM O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826465050 609635539 /nfs/dbraw/zinc/63/55/39/609635539.db2.gz WQUCPSVOJHFGIW-AWEZNQCLSA-N -1 3 373.300 1.691 20 5 FDBDHM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC000289501073 676145727 /nfs/dbraw/zinc/14/57/27/676145727.db2.gz JXAJGOSKAHNSTJ-SNVBAGLBSA-N -1 3 370.387 1.695 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](CO)[C@H]2CCOC2)c(Cl)c1 ZINC000280988723 675477217 /nfs/dbraw/zinc/47/72/17/675477217.db2.gz NARKJUOJCAWDPB-UWVGGRQHSA-N -1 3 364.807 1.172 20 5 FDBDHM COCCCN(C(=O)c1cccc([O-])c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000291911721 676274541 /nfs/dbraw/zinc/27/45/41/676274541.db2.gz SMBOSICSLRCKEC-UHFFFAOYSA-N -1 3 351.403 1.873 20 5 FDBDHM COC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000416578410 679670594 /nfs/dbraw/zinc/67/05/94/679670594.db2.gz GNCNFINWWCQCOF-LLVKDONJSA-N -1 3 362.791 1.868 20 5 FDBDHM C[C@@](CO)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000326100789 676580231 /nfs/dbraw/zinc/58/02/31/676580231.db2.gz DAYROWOMRYXCAL-HNNXBMFYSA-N -1 3 354.359 1.920 20 5 FDBDHM O=C1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]2CCCCN12 ZINC000376611754 678345910 /nfs/dbraw/zinc/34/59/10/678345910.db2.gz SOGWSWPJKNZSDV-NWDGAFQWSA-N -1 3 373.818 1.680 20 5 FDBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NC ZINC000416492530 679638815 /nfs/dbraw/zinc/63/88/15/679638815.db2.gz AOLOQOIWJVSTJO-QMMMGPOBSA-N -1 3 369.321 1.417 20 5 FDBDHM CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416493497 679639131 /nfs/dbraw/zinc/63/91/31/679639131.db2.gz HGAONGJZWKUIKQ-ZETCQYMHSA-N -1 3 369.321 1.417 20 5 FDBDHM O=C1[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]2CCCCN12 ZINC000416517414 679645842 /nfs/dbraw/zinc/64/58/42/679645842.db2.gz RRAJKWBUPGLLNM-BXKDBHETSA-N -1 3 373.818 1.680 20 5 FDBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1O ZINC000416522856 679646493 /nfs/dbraw/zinc/64/64/93/679646493.db2.gz GSDWNNXDACPUJZ-PSASIEDQSA-N -1 3 354.306 1.805 20 5 FDBDHM CC(C)n1cc(C(C)(C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])nn1 ZINC000420761947 680548527 /nfs/dbraw/zinc/54/85/27/680548527.db2.gz LNTGLPVOUHCREH-UHFFFAOYSA-N -1 3 353.404 1.981 20 5 FDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]2O)c(Br)c1 ZINC000425205999 680884309 /nfs/dbraw/zinc/88/43/09/680884309.db2.gz KHMUSEQBAALQTM-RKDXNWHRSA-N -1 3 351.178 1.159 20 5 FDBDHM C[C@@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000474318976 685390059 /nfs/dbraw/zinc/39/00/59/685390059.db2.gz SEBFPEUHLKYWCR-QMMMGPOBSA-N -1 3 370.836 1.350 20 5 FDBDHM CCOC(=O)[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000431299404 681114744 /nfs/dbraw/zinc/11/47/44/681114744.db2.gz WJCVWJBLKXANRE-MRVPVSSYSA-N -1 3 350.780 1.726 20 5 FDBDHM CC(C)COC[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000443379862 682289919 /nfs/dbraw/zinc/28/99/19/682289919.db2.gz NIDRRQDMNOHSSS-LLVKDONJSA-N -1 3 350.368 1.046 20 5 FDBDHM Cc1ccc(S(=O)(=O)[N-]c2ccnn2CCN(C)C)c([N+](=O)[O-])c1 ZINC000451041486 682805378 /nfs/dbraw/zinc/80/53/78/682805378.db2.gz APHZECSQFONMFA-UHFFFAOYSA-N -1 3 353.404 1.462 20 5 FDBDHM Cc1sc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(N)=O)cc1[N+](=O)[O-] ZINC000467392867 684857750 /nfs/dbraw/zinc/85/77/50/684857750.db2.gz IRJNAUZBVHFPTM-LLVKDONJSA-N -1 3 369.424 1.340 20 5 FDBDHM COC[C@@](C)([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(F)(F)F ZINC000479150659 685999903 /nfs/dbraw/zinc/99/99/03/685999903.db2.gz AMHOMTVKUPISNH-LLVKDONJSA-N -1 3 372.321 1.849 20 5 FDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F)c1[N+](=O)[O-] ZINC000480687560 686209156 /nfs/dbraw/zinc/20/91/56/686209156.db2.gz FUQRRIMXBQORFF-SECBINFHSA-N -1 3 356.322 1.803 20 5 FDBDHM CCn1cc(S(=O)(=O)[N-]Cc2nc3cccc(C)c3[nH]2)c([N+](=O)[O-])n1 ZINC000497938142 687729352 /nfs/dbraw/zinc/72/93/52/687729352.db2.gz LTRSUBWZNBGHDE-UHFFFAOYSA-N -1 3 364.387 1.474 20 5 FDBDHM CC[C@@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000497941215 687729743 /nfs/dbraw/zinc/72/97/43/687729743.db2.gz WZIJEOAVMAIAPJ-GHMZBOCLSA-N -1 3 356.322 1.716 20 5 FDBDHM