smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)O[C@H]2O[C@@H]3[C@H](Oc4cc([N+](=O)[O-])ccc4[O-])C(=O)O[C@@H]3[C@H]2O1 ZINC001229395771 857268590 /nfs/dbraw/zinc/26/85/90/857268590.db2.gz LSMQEVCFAKBPMV-ZXPJVPCYSA-N -1 1 353.283 0.850 20 5 FCBDMM CC(=O)Nc1cccc(C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC001309064518 866737795 /nfs/dbraw/zinc/73/77/95/866737795.db2.gz QOFAWPMQLRPVFI-UHFFFAOYSA-N -1 1 353.360 0.765 20 5 FCBDMM COC(=O)c1cc(S(=O)(=O)N(C)CCc2cccc([N+](=O)[O-])c2)[n-]n1 ZINC001309433906 866804764 /nfs/dbraw/zinc/80/47/64/866804764.db2.gz RVEOUMUCRZJXFL-UHFFFAOYSA-N -1 1 368.371 0.968 20 5 FCBDMM COC(=O)c1cc(S(=O)(=O)N(C)CCc2cccc([N+](=O)[O-])c2)n[n-]1 ZINC001309433906 866804788 /nfs/dbraw/zinc/80/47/88/866804788.db2.gz RVEOUMUCRZJXFL-UHFFFAOYSA-N -1 1 368.371 0.968 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]3CCCCN3C2=O)c([N+](=O)[O-])n1 ZINC001309563701 866839239 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/nfs/dbraw/zinc/39/28/78/490392878.db2.gz UQAKWESRGWKPMD-NXEZZACHSA-N -1 1 350.324 0.626 20 5 FCBDMM CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1nnn[n-]1 ZINC000522930146 490419965 /nfs/dbraw/zinc/41/99/65/490419965.db2.gz SURMQLZRFHWWTJ-LURJTMIESA-N -1 1 355.336 0.191 20 5 FCBDMM CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1nn[n-]n1 ZINC000522930146 490419969 /nfs/dbraw/zinc/41/99/69/490419969.db2.gz SURMQLZRFHWWTJ-LURJTMIESA-N -1 1 355.336 0.191 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCc3nn(C)cc32)c([N+](=O)[O-])n1 ZINC000510638404 490530517 /nfs/dbraw/zinc/53/05/17/490530517.db2.gz QNUMOKYUYTVGME-NSHDSACASA-N -1 1 354.392 0.901 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CC(=O)N(C3CC3)C2)c([N+](=O)[O-])n1 ZINC000503723982 490773507 /nfs/dbraw/zinc/77/35/07/490773507.db2.gz HKIKVVWTMFKXBM-VIFPVBQESA-N -1 1 357.392 0.100 20 5 FCBDMM O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000539325551 490777260 /nfs/dbraw/zinc/77/72/60/490777260.db2.gz JVDMMFNFVXJAMY-SECBINFHSA-N 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Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)n1 ZINC000600664718 491873957 /nfs/dbraw/zinc/87/39/57/491873957.db2.gz GJFAQHUCMMPSLH-AWEZNQCLSA-N -1 1 366.355 0.533 20 5 FCBDMM Cc1ccc([C@@H](CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000600665789 491874078 /nfs/dbraw/zinc/87/40/78/491874078.db2.gz XMIZLHNWSSHQLU-LLVKDONJSA-N -1 1 368.371 0.783 20 5 FCBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc([C@@H]3CCCOC3)n[nH]2)n1 ZINC000600667001 491874375 /nfs/dbraw/zinc/87/43/75/491874375.db2.gz PFAGCBPUAFHHHH-MRVPVSSYSA-N -1 1 356.364 0.746 20 5 FCBDMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000600874000 491887426 /nfs/dbraw/zinc/88/74/26/491887426.db2.gz JPXPILAOTABBJZ-UHFFFAOYSA-N -1 1 365.342 0.945 20 5 FCBDMM CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618244243 492218714 /nfs/dbraw/zinc/21/87/14/492218714.db2.gz MRHWGZFXAOTWHI-GFCCVEGCSA-N -1 1 360.326 0.995 20 5 FCBDMM CN(C)C(=O)C1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCC1 ZINC000610263709 492240617 /nfs/dbraw/zinc/24/06/17/492240617.db2.gz CJGDXIYJEAKOKX-UHFFFAOYSA-N -1 1 356.404 0.917 20 5 FCBDMM CN1C(=O)CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000425223037 536310102 /nfs/dbraw/zinc/31/01/02/536310102.db2.gz MHZQXGWNDQJNJM-QMMMGPOBSA-N -1 1 361.763 0.674 20 5 FCBDMM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738085011 599006121 /nfs/dbraw/zinc/00/61/21/599006121.db2.gz BVLDZVYKDFDINR-UHFFFAOYSA-N -1 1 355.314 0.979 20 5 FCBDMM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738085011 599006123 /nfs/dbraw/zinc/00/61/23/599006123.db2.gz BVLDZVYKDFDINR-UHFFFAOYSA-N -1 1 355.314 0.979 20 5 FCBDMM CCCn1c(CO)nnc1Sc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821149395 607306137 /nfs/dbraw/zinc/30/61/37/607306137.db2.gz XZNYVVCAFBKVST-UHFFFAOYSA-N -1 1 363.363 0.815 20 5 FCBDMM Cc1nn(CC(=O)Nc2ccccc2[N+](=O)[O-])c(=O)c(-c2nn[n-]n2)c1C ZINC000737512969 598473380 /nfs/dbraw/zinc/47/33/80/598473380.db2.gz DFCQTPPEUPRZOR-UHFFFAOYSA-N -1 1 370.329 0.587 20 5 FCBDMM CN1CCN(C)[C@@H](CNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737525175 600240761 /nfs/dbraw/zinc/24/07/61/600240761.db2.gz BWXHIYZGWWDBCC-LBPRGKRZSA-N -1 1 365.390 0.067 20 5 FCBDMM CN1CCN(C)[C@H](CNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737525173 600240817 /nfs/dbraw/zinc/24/08/17/600240817.db2.gz BWXHIYZGWWDBCC-GFCCVEGCSA-N -1 1 365.390 0.067 20 5 FCBDMM CCCc1n[nH]c(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000829549719 601088096 /nfs/dbraw/zinc/08/80/96/601088096.db2.gz JMXOBGZPHQBPOA-JTQLQIEISA-N -1 1 353.379 0.891 20 5 FCBDMM Cc1nc([C@H]2CN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CCO2)n[nH]1 ZINC000738823522 601101371 /nfs/dbraw/zinc/10/13/71/601101371.db2.gz MERAJTFHHDMJMX-GFCCVEGCSA-N -1 1 361.314 0.933 20 5 FCBDMM Cc1nc([C@@H]2CN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CCO2)n[nH]1 ZINC000738823525 601101414 /nfs/dbraw/zinc/10/14/14/601101414.db2.gz MERAJTFHHDMJMX-LBPRGKRZSA-N -1 1 361.314 0.933 20 5 FCBDMM Cc1nn(C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334137 607531149 /nfs/dbraw/zinc/53/11/49/607531149.db2.gz JJVFDDSQHLBODL-GFCCVEGCSA-N -1 1 357.330 0.682 20 5 FCBDMM Cc1nn(C[C@H](O)c2cccc([N+](=O)[O-])c2)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334138 607531209 /nfs/dbraw/zinc/53/12/09/607531209.db2.gz JJVFDDSQHLBODL-LBPRGKRZSA-N -1 1 357.330 0.682 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCC[C@H](O)C2)c1-c1nn[n-]n1 ZINC000826500212 607591479 /nfs/dbraw/zinc/59/14/79/607591479.db2.gz ONFQAFUFFVNRPZ-BDAKNGLRSA-N -1 1 368.375 0.357 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCOCC2CC2)c1-c1nn[n-]n1 ZINC000826499940 607612940 /nfs/dbraw/zinc/61/29/40/607612940.db2.gz FMOWSCKYZKQCOG-UHFFFAOYSA-N -1 1 368.375 0.480 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)c1-c1nn[n-]n1 ZINC000826500001 607624501 /nfs/dbraw/zinc/62/45/01/607624501.db2.gz HQTKMEZTDXZUAJ-PSASIEDQSA-N -1 1 368.375 0.357 20 5 FCBDMM CC[C@H](COC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825122377 607620694 /nfs/dbraw/zinc/62/06/94/607620694.db2.gz YEDOEMHBHAOFRQ-MRVPVSSYSA-N -1 1 356.364 0.478 20 5 FCBDMM COC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1CC1 ZINC000826152184 607679908 /nfs/dbraw/zinc/67/99/08/607679908.db2.gz SKKLVOFJVPIKDF-SECBINFHSA-N -1 1 368.375 0.478 20 5 FCBDMM CN1CCC(O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000833698572 605397394 /nfs/dbraw/zinc/39/73/94/605397394.db2.gz PWZDYJQCYJDECA-UHFFFAOYSA-N -1 1 373.387 0.028 20 5 FCBDMM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000822969560 606532698 /nfs/dbraw/zinc/53/26/98/606532698.db2.gz RDIGLZJCLPCCCH-UHFFFAOYSA-N -1 1 371.317 0.257 20 5 FCBDMM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000822969560 606532700 /nfs/dbraw/zinc/53/27/00/606532700.db2.gz RDIGLZJCLPCCCH-UHFFFAOYSA-N -1 1 371.317 0.257 20 5 FCBDMM O=C1NCCN1[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000823547816 606703856 /nfs/dbraw/zinc/70/38/56/606703856.db2.gz PLIYDBQKVDDMHE-SECBINFHSA-N -1 1 359.350 0.164 20 5 FCBDMM O=C1NCCN1[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000823547816 606703857 /nfs/dbraw/zinc/70/38/57/606703857.db2.gz PLIYDBQKVDDMHE-SECBINFHSA-N -1 1 359.350 0.164 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCn2c(nnc2C2CC2)C1 ZINC000823619742 606708468 /nfs/dbraw/zinc/70/84/68/606708468.db2.gz AJMXWVHOURLDEZ-UHFFFAOYSA-N -1 1 354.334 0.659 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCn2c(nnc2C2CC2)C1 ZINC000823619742 606708470 /nfs/dbraw/zinc/70/84/70/606708470.db2.gz AJMXWVHOURLDEZ-UHFFFAOYSA-N -1 1 354.334 0.659 20 5 FCBDMM CS(=O)(=O)CC1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821927149 606715286 /nfs/dbraw/zinc/71/52/86/606715286.db2.gz RMCRZUQHUJRKFN-UHFFFAOYSA-N -1 1 353.364 0.407 20 5 FCBDMM CS(=O)(=O)CC1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821927149 606715287 /nfs/dbraw/zinc/71/52/87/606715287.db2.gz RMCRZUQHUJRKFN-UHFFFAOYSA-N -1 1 353.364 0.407 20 5 FCBDMM COCCCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821687984 606732842 /nfs/dbraw/zinc/73/28/42/606732842.db2.gz YKBNAIBICGOIPB-UHFFFAOYSA-N -1 1 356.364 0.432 20 5 FCBDMM Nn1c(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])nnc1-c1ccco1 ZINC000822912110 607028439 /nfs/dbraw/zinc/02/84/39/607028439.db2.gz NBNOIVMZOYTPKQ-UHFFFAOYSA-N -1 1 372.330 0.886 20 5 FCBDMM Nn1c(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])nnc1-c1ccco1 ZINC000822912110 607028441 /nfs/dbraw/zinc/02/84/41/607028441.db2.gz NBNOIVMZOYTPKQ-UHFFFAOYSA-N -1 1 372.330 0.886 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(Cc2ccncc2)CC1 ZINC000823619810 607163161 /nfs/dbraw/zinc/16/31/61/607163161.db2.gz BGLXIMFEODIJCQ-UHFFFAOYSA-N -1 1 367.373 0.887 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(Cc2ccncc2)CC1 ZINC000823619810 607163163 /nfs/dbraw/zinc/16/31/63/607163163.db2.gz BGLXIMFEODIJCQ-UHFFFAOYSA-N -1 1 367.373 0.887 20 5 FCBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2cccc([N+](=O)[O-])c2)n1 ZINC000826356874 608007864 /nfs/dbraw/zinc/00/78/64/608007864.db2.gz JJGVLAMADPKNIN-UHFFFAOYSA-N -1 1 357.334 0.873 20 5 FCBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2cccc([N+](=O)[O-])c2)n1 ZINC000826356874 608007865 /nfs/dbraw/zinc/00/78/65/608007865.db2.gz JJGVLAMADPKNIN-UHFFFAOYSA-N -1 1 357.334 0.873 20 5 FCBDMM C[C@H]1OCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825019577 608111557 /nfs/dbraw/zinc/11/15/57/608111557.db2.gz FLWKNCJFSZFWMR-HTQZYQBOSA-N -1 1 354.348 0.231 20 5 FCBDMM O=c1oc2ccc([N+](=O)[O-])cc2n1CCCn1ccnc1-c1nnn[n-]1 ZINC000826501751 608894031 /nfs/dbraw/zinc/89/40/31/608894031.db2.gz GAJNKMHQJDBEKP-UHFFFAOYSA-N -1 1 356.302 0.970 20 5 FCBDMM O=c1oc2ccc([N+](=O)[O-])cc2n1CCCn1ccnc1-c1nn[n-]n1 ZINC000826501751 608894034 /nfs/dbraw/zinc/89/40/34/608894034.db2.gz GAJNKMHQJDBEKP-UHFFFAOYSA-N -1 1 356.302 0.970 20 5 FCBDMM C[N-]S(=O)(=O)c1cc(C(=O)OCCn2cc([N+](=O)[O-])ccc2=O)co1 ZINC000761431285 667889789 /nfs/dbraw/zinc/88/97/89/667889789.db2.gz SMAIVYBQYYRZLB-UHFFFAOYSA-N -1 1 371.327 0.115 20 5 FCBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CN3CCN2CC3)cc1F ZINC000866994105 667954556 /nfs/dbraw/zinc/95/45/56/667954556.db2.gz FFINQLTZYKVOHV-NSHDSACASA-N -1 1 358.395 0.320 20 5 FCBDMM O=C(CCCCc1cn[nH]n1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000774028041 668120438 /nfs/dbraw/zinc/12/04/38/668120438.db2.gz RXPNQIJYZKVXGY-UHFFFAOYSA-N -1 1 353.360 0.931 20 5 FCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1nc(C(F)(F)F)n[nH]1 ZINC000774878103 668180018 /nfs/dbraw/zinc/18/00/18/668180018.db2.gz CICDOEDXYMQXRZ-UHFFFAOYSA-N -1 1 352.254 0.605 20 5 FCBDMM CON(C)C(=O)[C@H](CCSC)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770622280 668206780 /nfs/dbraw/zinc/20/67/80/668206780.db2.gz OJEOJFPLCBKRGO-VIFPVBQESA-N -1 1 358.376 0.567 20 5 FCBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCCCS1(=O)=O ZINC000784367986 668653334 /nfs/dbraw/zinc/65/33/34/668653334.db2.gz DWSLDZHQXQIGQR-SECBINFHSA-N -1 1 366.392 0.980 20 5 FCBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCCCS1(=O)=O ZINC000784367988 668653366 /nfs/dbraw/zinc/65/33/66/668653366.db2.gz DWSLDZHQXQIGQR-VIFPVBQESA-N -1 1 366.392 0.980 20 5 FCBDMM CNC(=O)[C@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831105293 669828447 /nfs/dbraw/zinc/82/84/47/669828447.db2.gz MPWHCRLKKVJLNI-LURJTMIESA-N -1 1 372.186 0.287 20 5 FCBDMM Cn1nnc2c1CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C2 ZINC000848492203 671280619 /nfs/dbraw/zinc/28/06/19/671280619.db2.gz ZQOHRIKENGRNCF-QMMMGPOBSA-N -1 1 355.351 0.698 20 5 FCBDMM CCn1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)n1 ZINC000859253076 671804697 /nfs/dbraw/zinc/80/46/97/671804697.db2.gz YOFFUFITDDPWFC-UHFFFAOYSA-N -1 1 369.359 0.471 20 5 FCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000770193022 1200413523 /nfs/dbraw/zinc/41/35/23/1200413523.db2.gz VERASVJNMXOMLC-UHFFFAOYSA-N -1 1 374.313 0.961 20 5 FCBDMM Cc1[nH]nc(C(=O)[N-]N2C(=O)N[C@](C)(c3ccccc3)C2=O)c1[N+](=O)[O-] ZINC000749721063 1219808097 /nfs/dbraw/zinc/80/80/97/1219808097.db2.gz STKSLJVMBOEZRU-OAHLLOKOSA-N -1 1 358.314 0.738 20 5 FCBDMM O=C([O-])c1cn(C2CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)nn1 ZINC000780319871 1220038494 /nfs/dbraw/zinc/03/84/94/1220038494.db2.gz XRIGRCIMQXIIHS-UHFFFAOYSA-N -1 1 357.286 0.458 20 5 FCBDMM CCOC(=O)C1([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CCCC1 ZINC001335696085 1259791092 /nfs/dbraw/zinc/79/10/92/1259791092.db2.gz HAXDPDJMCVVVIP-UHFFFAOYSA-N -1 1 360.392 0.965 20 5 FCBDMM C[C@@H]1CSCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001576377149 1273205134 /nfs/dbraw/zinc/20/51/34/1273205134.db2.gz FZZOQVNXJUNQKX-MRVPVSSYSA-N -1 1 370.416 0.901 20 5 FCBDMM C[C@@H]1CSCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001576377149 1273205142 /nfs/dbraw/zinc/20/51/42/1273205142.db2.gz FZZOQVNXJUNQKX-MRVPVSSYSA-N -1 1 370.416 0.901 20 5 FCBDMM O=[N+]([O-])c1cc(S(=O)(=O)N2CCOC[C@@H]2c2c[nH]nn2)ccc1[O-] ZINC001578047642 1275338653 /nfs/dbraw/zinc/33/86/53/1275338653.db2.gz JLOQVQQVQDMWHN-LLVKDONJSA-N -1 1 355.332 0.181 20 5 FCBDMM CCOCCOC[C@H](O)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609241108 1289015457 /nfs/dbraw/zinc/01/54/57/1289015457.db2.gz ZJWVSLVFLKGQSQ-SNVBAGLBSA-N -1 1 352.351 0.601 20 5 FCBDMM CCOCCOC[C@H](O)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609241108 1289015459 /nfs/dbraw/zinc/01/54/59/1289015459.db2.gz ZJWVSLVFLKGQSQ-SNVBAGLBSA-N -1 1 352.351 0.601 20 5 FCBDMM C[C@@H](CCO)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001603495205 1287392335 /nfs/dbraw/zinc/39/23/35/1287392335.db2.gz IVBMHVRTKWNBNA-QMMMGPOBSA-N -1 1 356.364 0.166 20 5 FCBDMM C[C@@H](CCO)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001603495205 1287392337 /nfs/dbraw/zinc/39/23/37/1287392337.db2.gz IVBMHVRTKWNBNA-QMMMGPOBSA-N -1 1 356.364 0.166 20 5 FCBDMM NC(=O)C1(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCOCC1 ZINC001581887823 1280656620 /nfs/dbraw/zinc/65/66/20/1280656620.db2.gz PSEUIGKMOXDCPY-UHFFFAOYSA-N -1 1 353.364 0.530 20 5 FCBDMM NC(=O)C1(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCOCC1 ZINC001581887823 1280656630 /nfs/dbraw/zinc/65/66/30/1280656630.db2.gz PSEUIGKMOXDCPY-UHFFFAOYSA-N -1 1 353.364 0.530 20 5 FCBDMM CC1(C)OCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001603794570 1287499767 /nfs/dbraw/zinc/49/97/67/1287499767.db2.gz MHIAYAZHIBDFRS-NSHDSACASA-N -1 1 368.375 0.621 20 5 FCBDMM CC1(C)OCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001603794570 1287499770 /nfs/dbraw/zinc/49/97/70/1287499770.db2.gz MHIAYAZHIBDFRS-NSHDSACASA-N -1 1 368.375 0.621 20 5 FCBDMM CC1(C)OCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001603794568 1287500374 /nfs/dbraw/zinc/50/03/74/1287500374.db2.gz MHIAYAZHIBDFRS-LLVKDONJSA-N -1 1 368.375 0.621 20 5 FCBDMM CC1(C)OCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001603794568 1287500381 /nfs/dbraw/zinc/50/03/81/1287500381.db2.gz MHIAYAZHIBDFRS-LLVKDONJSA-N -1 1 368.375 0.621 20 5 FCBDMM CCC[C@@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001604147203 1287580504 /nfs/dbraw/zinc/58/05/04/1287580504.db2.gz OCRPKLKNUZGBQM-SECBINFHSA-N -1 1 356.364 0.214 20 5 FCBDMM CCC[C@@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001604147203 1287580510 /nfs/dbraw/zinc/58/05/10/1287580510.db2.gz OCRPKLKNUZGBQM-SECBINFHSA-N -1 1 356.364 0.214 20 5 FCBDMM CCNS(=O)(=O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001604357349 1287613144 /nfs/dbraw/zinc/61/31/44/1287613144.db2.gz ZABJNVAKFRPLFL-SNVBAGLBSA-N -1 1 367.391 0.293 20 5 FCBDMM C[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC001589876511 1283105696 /nfs/dbraw/zinc/10/56/96/1283105696.db2.gz YGCXYFAOKJRBEV-QMMMGPOBSA-N -1 1 372.345 0.790 20 5 FCBDMM C[C@@H](O)CN1CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001604387284 1287628142 /nfs/dbraw/zinc/62/81/42/1287628142.db2.gz MYYQUKBNHDFROH-GFCCVEGCSA-N -1 1 353.375 0.557 20 5 FCBDMM C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@H](C)O1 ZINC001590206003 1283324273 /nfs/dbraw/zinc/32/42/73/1283324273.db2.gz GNWLDQCQDRPARB-HRDYMLBCSA-N -1 1 368.375 0.619 20 5 FCBDMM C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC[C@H]1O ZINC001590312989 1283458486 /nfs/dbraw/zinc/45/84/86/1283458486.db2.gz NNJDLOAPGMOBEZ-WCBMZHEXSA-N -1 1 368.375 0.166 20 5 FCBDMM CCS(=O)(=O)NCCCNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590847239 1283921858 /nfs/dbraw/zinc/92/18/58/1283921858.db2.gz NGHVVFUCFRXCPC-UHFFFAOYSA-N -1 1 369.407 0.825 20 5 FCBDMM CCS(=O)(=O)NCCCNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590847239 1283921863 /nfs/dbraw/zinc/92/18/63/1283921863.db2.gz NGHVVFUCFRXCPC-UHFFFAOYSA-N -1 1 369.407 0.825 20 5 FCBDMM CCn1nc2c(cc1=O)CN(c1cccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC001590965440 1284020928 /nfs/dbraw/zinc/02/09/28/1284020928.db2.gz ARQNCOUMHHTSRY-UHFFFAOYSA-N -1 1 368.357 0.914 20 5 FCBDMM CCn1nc2c(cc1=O)CN(c1cccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC001590965440 1284020937 /nfs/dbraw/zinc/02/09/37/1284020937.db2.gz ARQNCOUMHHTSRY-UHFFFAOYSA-N -1 1 368.357 0.914 20 5 FCBDMM CN(C)C(=O)Cn1cc([N-]c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])cn1 ZINC001591003556 1284063968 /nfs/dbraw/zinc/06/39/68/1284063968.db2.gz DGFAYHUQHSRFIW-UHFFFAOYSA-N -1 1 358.322 0.198 20 5 FCBDMM CN(Cc1nnc2c(=O)[nH]ccn12)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591153416 1284224446 /nfs/dbraw/zinc/22/44/46/1284224446.db2.gz RWKALTPSTWINQF-UHFFFAOYSA-N -1 1 368.317 0.142 20 5 FCBDMM CN(Cc1nnc2c(=O)[nH]ccn12)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591153416 1284224457 /nfs/dbraw/zinc/22/44/57/1284224457.db2.gz RWKALTPSTWINQF-UHFFFAOYSA-N -1 1 368.317 0.142 20 5 FCBDMM COC[C@@H]1CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001591393588 1284533447 /nfs/dbraw/zinc/53/34/47/1284533447.db2.gz DUXPZDCHTTZZRK-QMMMGPOBSA-N -1 1 354.348 0.184 20 5 FCBDMM COc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1-c1nn[nH]n1 ZINC001591595589 1284760948 /nfs/dbraw/zinc/76/09/48/1284760948.db2.gz RFLQGCDFFHDMRH-UHFFFAOYSA-N -1 1 371.313 0.814 20 5 FCBDMM COc1cccc(CNC(=O)[C@@H](C)n2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)c1 ZINC001591638802 1284776577 /nfs/dbraw/zinc/77/65/77/1284776577.db2.gz JUZQBYDFWMUJBR-SECBINFHSA-N -1 1 372.345 0.857 20 5 FCBDMM Cc1cc(NCCCCS(N)(=O)=O)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592046454 1285088398 /nfs/dbraw/zinc/08/83/98/1285088398.db2.gz CEJJOLONTDRKGA-UHFFFAOYSA-N -1 1 355.380 0.564 20 5 FCBDMM Cc1cc(NCCCCS(N)(=O)=O)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592046454 1285088403 /nfs/dbraw/zinc/08/84/03/1285088403.db2.gz CEJJOLONTDRKGA-UHFFFAOYSA-N -1 1 355.380 0.564 20 5 FCBDMM Cc1nc(CN2CCN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)CC2)no1 ZINC001592361690 1285279344 /nfs/dbraw/zinc/27/93/44/1285279344.db2.gz ZRGVJLKIIIZLQB-UHFFFAOYSA-N -1 1 371.361 0.789 20 5 FCBDMM Cc1nc(CN2CCN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)CC2)no1 ZINC001592361690 1285279350 /nfs/dbraw/zinc/27/93/50/1285279350.db2.gz ZRGVJLKIIIZLQB-UHFFFAOYSA-N -1 1 371.361 0.789 20 5 FCBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001604788980 1287780951 /nfs/dbraw/zinc/78/09/51/1287780951.db2.gz SWEYZTJRMWFJED-ABAIWWIYSA-N -1 1 351.359 0.636 20 5 FCBDMM Cn1nccc1[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001592605430 1285544943 /nfs/dbraw/zinc/54/49/43/1285544943.db2.gz JIINTIZJIIODBL-NSHDSACASA-N -1 1 357.334 0.481 20 5 FCBDMM Cn1nccc1[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001592605430 1285544955 /nfs/dbraw/zinc/54/49/55/1285544955.db2.gz JIINTIZJIIODBL-NSHDSACASA-N -1 1 357.334 0.481 20 5 FCBDMM CN1C(=O)Cc2cc(C(=O)Cn3cc([N+](=O)[O-])c(-c4nn[n-]n4)n3)ccc21 ZINC001604840514 1287793777 /nfs/dbraw/zinc/79/37/77/1287793777.db2.gz FKCUVQPEYCDAKK-UHFFFAOYSA-N -1 1 368.313 0.373 20 5 FCBDMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2cc([N+](=O)[O-])ccc2OC)c1=O ZINC001609258155 1289023203 /nfs/dbraw/zinc/02/32/03/1289023203.db2.gz SITXNRAWUKNFSB-UHFFFAOYSA-N -1 1 373.329 0.175 20 5 FCBDMM O=C(Cn1cc(-c2nn[n-]n2)ccc1=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001592936567 1285825142 /nfs/dbraw/zinc/82/51/42/1285825142.db2.gz PWTLQVDIVCNCID-UHFFFAOYSA-N -1 1 367.325 0.526 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)Nc1c(F)cccc1F ZINC001592937706 1285828381 /nfs/dbraw/zinc/82/83/81/1285828381.db2.gz OAHYNHWKCDWVCL-UHFFFAOYSA-N -1 1 350.245 0.888 20 5 FCBDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ncc([N+](=O)[O-])s1 ZINC001609275860 1289040791 /nfs/dbraw/zinc/04/07/91/1289040791.db2.gz PHPIIVRJKYIMIM-UHFFFAOYSA-N -1 1 350.368 0.606 20 5 FCBDMM O=C1OCC[C@@H]1N1CCC(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001593415385 1286138268 /nfs/dbraw/zinc/13/82/68/1286138268.db2.gz ZMDQPXIWFWQACQ-ZDUSSCGKSA-N -1 1 373.373 0.967 20 5 FCBDMM CNC(=O)Cn1nc(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1C ZINC001609288237 1289054535 /nfs/dbraw/zinc/05/45/35/1289054535.db2.gz DKKJUHDCEADDOV-UHFFFAOYSA-N -1 1 357.334 0.769 20 5 FCBDMM O=[N+]([O-])c1c(NC/C=C\CO)cc(NC/C=C\CO)cc1-c1nnn[n-]1 ZINC001593466067 1286170100 /nfs/dbraw/zinc/17/01/00/1286170100.db2.gz VVTKGVRHQHRSPW-CCAGOZQPSA-N -1 1 361.362 0.696 20 5 FCBDMM O=[N+]([O-])c1c(NC/C=C\CO)cc(NC/C=C\CO)cc1-c1nn[n-]n1 ZINC001593466067 1286170104 /nfs/dbraw/zinc/17/01/04/1286170104.db2.gz VVTKGVRHQHRSPW-CCAGOZQPSA-N -1 1 361.362 0.696 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1nnc2n1CCCC2 ZINC001593465408 1286171281 /nfs/dbraw/zinc/17/12/81/1286171281.db2.gz PADBTXMDDUUHDT-UHFFFAOYSA-N -1 1 356.350 0.752 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1nnc2n1CCCC2 ZINC001593465408 1286171284 /nfs/dbraw/zinc/17/12/84/1286171284.db2.gz PADBTXMDDUUHDT-UHFFFAOYSA-N -1 1 356.350 0.752 20 5 FCBDMM O=[N+]([O-])c1cccc(CN2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)c1 ZINC001593484247 1286173706 /nfs/dbraw/zinc/17/37/06/1286173706.db2.gz RPYPSKHXTJCUDL-UHFFFAOYSA-N -1 1 367.373 0.887 20 5 FCBDMM O=[N+]([O-])c1cn(CCn2cnc(Br)n2)nc1-c1nn[n-]n1 ZINC001593486778 1286175848 /nfs/dbraw/zinc/17/58/48/1286175848.db2.gz LUETXHXJRRPJAJ-UHFFFAOYSA-N -1 1 355.116 0.026 20 5 FCBDMM O=[N+]([O-])c1cn(CCS(=O)(=O)Cc2ccccc2)nc1-c1nn[n-]n1 ZINC001593487449 1286176316 /nfs/dbraw/zinc/17/63/16/1286176316.db2.gz YBKWILWUVARKQB-UHFFFAOYSA-N -1 1 363.359 0.586 20 5 FCBDMM O=c1c(-c2nn[n-]n2)cn(C[C@H]2COCCO2)c2ccc([N+](=O)[O-])cc12 ZINC001593495041 1286180922 /nfs/dbraw/zinc/18/09/22/1286180922.db2.gz QBXPIAHWLWNAMI-JTQLQIEISA-N -1 1 358.314 0.505 20 5 FCBDMM Cc1c(C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001599976742 1286416871 /nfs/dbraw/zinc/41/68/71/1286416871.db2.gz JSOIVFXFVNFEGW-JTQLQIEISA-N -1 1 366.330 0.900 20 5 FCBDMM CO[C@H](C)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001609308283 1289081421 /nfs/dbraw/zinc/08/14/21/1289081421.db2.gz IQKHBMNMAVCGJG-MRVPVSSYSA-N -1 1 356.364 0.430 20 5 FCBDMM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC001601764913 1286829485 /nfs/dbraw/zinc/82/94/85/1286829485.db2.gz NNBBPVMGIFQJSN-JQWIXIFHSA-N -1 1 360.326 0.893 20 5 FCBDMM COc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001605307487 1287924858 /nfs/dbraw/zinc/92/48/58/1287924858.db2.gz CLGQSIBXKIMYGE-MRVPVSSYSA-N -1 1 374.317 0.679 20 5 FCBDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC001605559780 1288005061 /nfs/dbraw/zinc/00/50/61/1288005061.db2.gz HCIVQXGUYQGIMP-UHFFFAOYSA-N -1 1 356.350 0.911 20 5 FCBDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC001605559780 1288005064 /nfs/dbraw/zinc/00/50/64/1288005064.db2.gz HCIVQXGUYQGIMP-UHFFFAOYSA-N -1 1 356.350 0.911 20 5 FCBDMM Nc1cc(N2CCC[C@@H](C(=O)NC3CC3)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606450701 1288323918 /nfs/dbraw/zinc/32/39/18/1288323918.db2.gz CEESERTZCWWVPK-SECBINFHSA-N -1 1 372.389 0.852 20 5 FCBDMM Nc1cc(N2CCC[C@@H](C(=O)NC3CC3)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606450701 1288323923 /nfs/dbraw/zinc/32/39/23/1288323923.db2.gz 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CC(C)(CCS(C)(=O)=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525187305 490583820 /nfs/dbraw/zinc/58/38/20/490583820.db2.gz JGPVZNHGVIOAQA-UHFFFAOYSA-N -1 1 351.406 0.481 20 5 FCBDMM Cc1nnc2n1C[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])CC2 ZINC000525189765 490584340 /nfs/dbraw/zinc/58/43/40/490584340.db2.gz KCEVIEHGSOPQII-JTQLQIEISA-N -1 1 352.376 0.431 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)C(=O)NCc2ccco2)c([N+](=O)[O-])n1 ZINC000549520614 490585790 /nfs/dbraw/zinc/58/57/90/490585790.db2.gz WKLPHHGLUZWPGP-VIFPVBQESA-N -1 1 371.375 0.387 20 5 FCBDMM CS(=O)(=O)[N-]c1nnc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)s1 ZINC000505798764 490840354 /nfs/dbraw/zinc/84/03/54/490840354.db2.gz HFZCRAQRMFIUFD-UHFFFAOYSA-N -1 1 359.345 0.776 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CCCCS2(=O)=O)c([N+](=O)[O-])n1 ZINC000541311380 490857847 /nfs/dbraw/zinc/85/78/47/490857847.db2.gz KAYFRTBOIGZJDD-SECBINFHSA-N -1 1 366.421 0.057 20 5 FCBDMM Cc1cc(C(=O)NCC(=O)N2CCC[C@H](c3nn[n-]n3)C2)ccc1[N+](=O)[O-] ZINC000543942395 490952854 /nfs/dbraw/zinc/95/28/54/490952854.db2.gz JKQFGGCMMCJMFU-LBPRGKRZSA-N -1 1 373.373 0.552 20 5 FCBDMM Cc1cc(C(=O)NCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)ccc1[N+](=O)[O-] ZINC000543942394 490952924 /nfs/dbraw/zinc/95/29/24/490952924.db2.gz JKQFGGCMMCJMFU-GFCCVEGCSA-N -1 1 373.373 0.552 20 5 FCBDMM CC[C@@H](C(=O)OC)N1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000557499838 491378743 /nfs/dbraw/zinc/37/87/43/491378743.db2.gz DDBPBXUEXHEHPB-NSHDSACASA-N -1 1 352.347 0.405 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)S(=O)(=O)C2)c([N+](=O)[O-])n1 ZINC000594849559 491866634 /nfs/dbraw/zinc/86/66/34/491866634.db2.gz OQRUCLAVKWUHEY-DTWKUNHWSA-N -1 1 366.421 0.055 20 5 FCBDMM Cc1ncsc1[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000600653317 491871988 /nfs/dbraw/zinc/87/19/88/491871988.db2.gz GGYDAWBCLVMBEU-ZETCQYMHSA-N -1 1 361.361 0.197 20 5 FCBDMM C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC000600654929 491872296 /nfs/dbraw/zinc/87/22/96/491872296.db2.gz 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O=[N+]([O-])c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000738360586 598268255 /nfs/dbraw/zinc/26/82/55/598268255.db2.gz RBDOFCLUOCHUIO-UHFFFAOYSA-N -1 1 361.343 0.648 20 5 FCBDMM O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000823216040 599469944 /nfs/dbraw/zinc/46/99/44/599469944.db2.gz WYBIPALSBWHAFN-UHFFFAOYSA-N -1 1 371.313 0.684 20 5 FCBDMM CN(CC(=O)[O-])C(=O)CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000737401472 600289634 /nfs/dbraw/zinc/28/96/34/600289634.db2.gz PAIIELBGFSOKGK-UHFFFAOYSA-N -1 1 351.363 0.045 20 5 FCBDMM O=C([C@H]1CCCO1)N1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000826398737 607448545 /nfs/dbraw/zinc/44/85/45/607448545.db2.gz DZCGGLTUXCHBJW-CQSZACIVSA-N -1 1 373.373 0.603 20 5 FCBDMM O=C([C@H]1CCCO1)N1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000826398737 607448547 /nfs/dbraw/zinc/44/85/47/607448547.db2.gz DZCGGLTUXCHBJW-CQSZACIVSA-N -1 1 373.373 0.603 20 5 FCBDMM C[C@H]1COCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820813598 607493878 /nfs/dbraw/zinc/49/38/78/607493878.db2.gz KNHUYKHMFHCVFP-VIFPVBQESA-N -1 1 368.375 0.574 20 5 FCBDMM CN1CCO[C@@H]2CN(c3c(C(=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]21 ZINC000830965303 602137575 /nfs/dbraw/zinc/13/75/75/602137575.db2.gz QDFQYQODIHDQOX-VXGBXAGGSA-N -1 1 352.303 0.720 20 5 FCBDMM CN(c1ccccn1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826011162 607591920 /nfs/dbraw/zinc/59/19/20/607591920.db2.gz ZKKSVXLTBLMXKO-UHFFFAOYSA-N -1 1 361.343 0.995 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC2CCSCC2)c1-c1nn[n-]n1 ZINC000826500395 607604009 /nfs/dbraw/zinc/60/40/09/607604009.db2.gz XBMHHAXWSSGBMA-UHFFFAOYSA-N -1 1 370.416 0.949 20 5 FCBDMM CC(C)[C@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824193320 607635101 /nfs/dbraw/zinc/63/51/01/607635101.db2.gz WWOZJVOJIHDIPY-CYBMUJFWSA-N -1 1 370.391 0.460 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H](CCO)C2CC2)c1-c1nn[n-]n1 ZINC000826499863 607645306 /nfs/dbraw/zinc/64/53/06/607645306.db2.gz BGQVXPGQVLHSKU-VIFPVBQESA-N -1 1 368.375 0.214 20 5 FCBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C(=O)NCc1ccco1 ZINC000820461635 606702624 /nfs/dbraw/zinc/70/26/24/606702624.db2.gz OHMAKFWMISCYAC-MRVPVSSYSA-N -1 1 358.318 0.880 20 5 FCBDMM C[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C(=O)NCc1ccco1 ZINC000820461635 606702625 /nfs/dbraw/zinc/70/26/25/606702625.db2.gz OHMAKFWMISCYAC-MRVPVSSYSA-N -1 1 358.318 0.880 20 5 FCBDMM CCc1nc2n(n1)C[C@@H](Nc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC000821509755 606707837 /nfs/dbraw/zinc/70/78/37/606707837.db2.gz MUFQBORTEUHTJY-QMMMGPOBSA-N -1 1 356.350 0.751 20 5 FCBDMM CCc1nc2n(n1)C[C@@H](Nc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC000821509755 606707839 /nfs/dbraw/zinc/70/78/39/606707839.db2.gz MUFQBORTEUHTJY-QMMMGPOBSA-N -1 1 356.350 0.751 20 5 FCBDMM CS(=O)(=O)[C@H]1CCC[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821920180 606712187 /nfs/dbraw/zinc/71/21/87/606712187.db2.gz MVAOGYDBGPHZQR-BDAKNGLRSA-N -1 1 367.391 0.938 20 5 FCBDMM CS(=O)(=O)[C@H]1CCC[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821920180 606712188 /nfs/dbraw/zinc/71/21/88/606712188.db2.gz MVAOGYDBGPHZQR-BDAKNGLRSA-N -1 1 367.391 0.938 20 5 FCBDMM C[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000820776683 606715913 /nfs/dbraw/zinc/71/59/13/606715913.db2.gz MIGVSGWLJRZBIR-CMPLNLGQSA-N -1 1 360.378 0.327 20 5 FCBDMM Nc1cc(C2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)[nH]n1 ZINC000822907622 606717083 /nfs/dbraw/zinc/71/70/83/606717083.db2.gz VZEKYIZIVFOKGT-UHFFFAOYSA-N -1 1 356.350 0.859 20 5 FCBDMM Nc1cc(C2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)[nH]n1 ZINC000822907622 606717086 /nfs/dbraw/zinc/71/70/86/606717086.db2.gz VZEKYIZIVFOKGT-UHFFFAOYSA-N -1 1 356.350 0.859 20 5 FCBDMM CC[C@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821000296 606734447 /nfs/dbraw/zinc/73/44/47/606734447.db2.gz CGHMSPWYLLVLPQ-VIFPVBQESA-N -1 1 368.375 0.574 20 5 FCBDMM CN(Cc1ccon1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821615845 606734661 /nfs/dbraw/zinc/73/46/61/606734661.db2.gz QMURAPHFMJKBMT-UHFFFAOYSA-N -1 1 365.331 0.584 20 5 FCBDMM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823005254 607105433 /nfs/dbraw/zinc/10/54/33/607105433.db2.gz IWAGSADKOGEKSB-UHFFFAOYSA-N -1 1 374.342 0.600 20 5 FCBDMM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823005254 607105435 /nfs/dbraw/zinc/10/54/35/607105435.db2.gz IWAGSADKOGEKSB-UHFFFAOYSA-N -1 1 374.342 0.600 20 5 FCBDMM O=[N+]([O-])c1cc(N2CCN(c3cnccn3)CC2)ccc1-c1nn[n-]n1 ZINC000826498259 607839864 /nfs/dbraw/zinc/83/98/64/607839864.db2.gz NNAPHGYBEBUJEN-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM C[C@@]1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCOC1 ZINC000824838166 607906788 /nfs/dbraw/zinc/90/67/88/607906788.db2.gz MUKWWJANSQQIHB-GFCCVEGCSA-N -1 1 354.348 0.232 20 5 FCBDMM CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732835109 666903120 /nfs/dbraw/zinc/90/31/20/666903120.db2.gz VOLIUDOWYHJSIX-VIFPVBQESA-N -1 1 362.264 0.931 20 5 FCBDMM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000758502168 667767988 /nfs/dbraw/zinc/76/79/88/667767988.db2.gz KEFAQCUXQYLDCQ-QMMMGPOBSA-N -1 1 352.752 0.451 20 5 FCBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CN3CCN2CC3)cc1F ZINC000866994104 667954643 /nfs/dbraw/zinc/95/46/43/667954643.db2.gz FFINQLTZYKVOHV-LLVKDONJSA-N -1 1 358.395 0.320 20 5 FCBDMM COC(=O)C[C@@]1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCOC1 ZINC000766559483 668031448 /nfs/dbraw/zinc/03/14/48/668031448.db2.gz NLHMPDLWKBBMCR-ZDUSSCGKSA-N -1 1 362.335 0.734 20 5 FCBDMM O=C(COc1ccccc1[N+](=O)[O-])N1CCSC[C@H]1c1nn[n-]n1 ZINC000773159874 668077159 /nfs/dbraw/zinc/07/71/59/668077159.db2.gz NFWZQZPKPXUAOS-JTQLQIEISA-N -1 1 350.360 0.803 20 5 FCBDMM COCCOC(=O)CSCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000840207866 669700766 /nfs/dbraw/zinc/70/07/66/669700766.db2.gz XOMYSEUQUHDAPG-UHFFFAOYSA-N -1 1 356.356 0.774 20 5 FCBDMM COC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(N)=O ZINC000830973039 669819350 /nfs/dbraw/zinc/81/93/50/669819350.db2.gz YEKUUJHEZQIVEX-ZCFIWIBFSA-N -1 1 372.186 0.680 20 5 FCBDMM CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831105294 669828404 /nfs/dbraw/zinc/82/84/04/669828404.db2.gz MPWHCRLKKVJLNI-ZCFIWIBFSA-N -1 1 372.186 0.287 20 5 FCBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCc2nnnn2CC1 ZINC000817155867 670002348 /nfs/dbraw/zinc/00/23/48/670002348.db2.gz XVGHEVAKQXEYDJ-SECBINFHSA-N -1 1 372.794 0.918 20 5 FCBDMM COc1ccccc1-n1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000842312393 670667011 /nfs/dbraw/zinc/66/70/11/670667011.db2.gz IQRMALIHLKBATF-ZYHUDNBSSA-N -1 1 366.355 0.351 20 5 FCBDMM CON(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000859413206 671824605 /nfs/dbraw/zinc/82/46/05/671824605.db2.gz XEMYOXLUHAXJPL-SSDOTTSWSA-N -1 1 351.768 0.935 20 5 FCBDMM Cc1c(CNC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)cccc1[N+](=O)[O-] ZINC000807032149 1202808437 /nfs/dbraw/zinc/80/84/37/1202808437.db2.gz UKDQBYAXFWSYDR-UHFFFAOYSA-N -1 1 368.353 0.813 20 5 FCBDMM Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)OCc2nc(=O)n(C)[n-]2)c1 ZINC000845284839 1204488952 /nfs/dbraw/zinc/48/89/52/1204488952.db2.gz ICTZLUMHOSSRER-UHFFFAOYSA-N -1 1 372.341 0.927 20 5 FCBDMM C[C@@H]1OCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)[C@H]1C ZINC001576399233 1273238023 /nfs/dbraw/zinc/23/80/23/1273238023.db2.gz XPXSCFQBNLKWCS-IUCAKERBSA-N -1 1 368.375 0.573 20 5 FCBDMM C[C@@H]1OCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)[C@H]1C ZINC001576399233 1273238027 /nfs/dbraw/zinc/23/80/27/1273238027.db2.gz XPXSCFQBNLKWCS-IUCAKERBSA-N -1 1 368.375 0.573 20 5 FCBDMM CC(C)(NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1[N+](=O)[O-] ZINC001603160382 1287317049 /nfs/dbraw/zinc/31/70/49/1287317049.db2.gz HTXFUCPFRWICLQ-UHFFFAOYSA-N -1 1 357.334 0.418 20 5 FCBDMM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001580935817 1279147572 /nfs/dbraw/zinc/14/75/72/1279147572.db2.gz SHVVTGZRKSFJKQ-UHFFFAOYSA-N -1 1 361.297 0.244 20 5 FCBDMM C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC[S@](=O)C1 ZINC001603938734 1287539336 /nfs/dbraw/zinc/53/93/36/1287539336.db2.gz GWPSVGUXQDSGME-GPQZVPNXSA-N -1 1 351.392 0.562 20 5 FCBDMM C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC[S@](=O)C1 ZINC001603938734 1287539339 /nfs/dbraw/zinc/53/93/39/1287539339.db2.gz GWPSVGUXQDSGME-GPQZVPNXSA-N -1 1 351.392 0.562 20 5 FCBDMM C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC[S@@](=O)C1 ZINC001603938735 1287540210 /nfs/dbraw/zinc/54/02/10/1287540210.db2.gz GWPSVGUXQDSGME-KFKUIPHHSA-N -1 1 351.392 0.562 20 5 FCBDMM C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC[S@@](=O)C1 ZINC001603938735 1287540214 /nfs/dbraw/zinc/54/02/14/1287540214.db2.gz GWPSVGUXQDSGME-KFKUIPHHSA-N -1 1 351.392 0.562 20 5 FCBDMM C[C@H](O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001590003335 1283172313 /nfs/dbraw/zinc/17/23/13/1283172313.db2.gz MTQCHAHKFVTVAL-DTWKUNHWSA-N -1 1 368.375 0.309 20 5 FCBDMM C[C@H]1SCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001590339829 1283488781 /nfs/dbraw/zinc/48/87/81/1283488781.db2.gz YUGHQIFEUVLNLB-HTQZYQBOSA-N -1 1 370.416 0.947 20 5 FCBDMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCOc2ccc([N+](=O)[O-])cc2)c1=O ZINC001604601451 1287678233 /nfs/dbraw/zinc/67/82/33/1287678233.db2.gz WCJQJTRQPUJIOS-UHFFFAOYSA-N -1 1 373.329 0.197 20 5 FCBDMM CN(C(=O)Cn1cc(-c2nn[n-]n2)ccc1=O)c1ccc([N+](=O)[O-])cc1 ZINC001590986347 1284043584 /nfs/dbraw/zinc/04/35/84/1284043584.db2.gz OOZDLFQHRVPKPG-UHFFFAOYSA-N -1 1 355.314 0.600 20 5 FCBDMM COC(=O)C[C@H]1CN(c2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001591263644 1284419698 /nfs/dbraw/zinc/41/96/98/1284419698.db2.gz CAKBRXYVGZIGPD-NSHDSACASA-N -1 1 362.346 0.852 20 5 FCBDMM COC(=O)C[C@H]1CN(c2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001591263644 1284419703 /nfs/dbraw/zinc/41/97/03/1284419703.db2.gz CAKBRXYVGZIGPD-NSHDSACASA-N -1 1 362.346 0.852 20 5 FCBDMM COc1ccc(C)cc1NC(=O)Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001591578013 1284748290 /nfs/dbraw/zinc/74/82/90/1284748290.db2.gz WMIJESQHTXBOTO-UHFFFAOYSA-N -1 1 358.318 0.927 20 5 FCBDMM CN(C)c1ncnc(Cl)c1Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001604706280 1287742849 /nfs/dbraw/zinc/74/28/49/1287742849.db2.gz NMNGSNNZBSEDLT-UHFFFAOYSA-N -1 1 350.730 0.529 20 5 FCBDMM C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC001591729921 1284862246 /nfs/dbraw/zinc/86/22/46/1284862246.db2.gz MXJYTXRVDBTJCN-SSDOTTSWSA-N -1 1 358.318 0.747 20 5 FCBDMM Cc1cc(N2CCN(C(=O)[C@H](C)O)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592006171 1285054101 /nfs/dbraw/zinc/05/41/01/1285054101.db2.gz BRKQFQRSHRNEAN-JTQLQIEISA-N -1 1 361.362 0.113 20 5 FCBDMM Cc1cc(N2CCN(C(=O)[C@H](C)O)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592006171 1285054106 /nfs/dbraw/zinc/05/41/06/1285054106.db2.gz BRKQFQRSHRNEAN-JTQLQIEISA-N -1 1 361.362 0.113 20 5 FCBDMM CN(CC1(CO)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001604723698 1287758002 /nfs/dbraw/zinc/75/80/02/1287758002.db2.gz YGUJNCVQNUIKID-UHFFFAOYSA-N -1 1 368.375 0.168 20 5 FCBDMM Cc1cc(NCCN2CCCS2(=O)=O)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592048345 1285091821 /nfs/dbraw/zinc/09/18/21/1285091821.db2.gz DIYUFQJTWWURDQ-UHFFFAOYSA-N -1 1 367.391 0.531 20 5 FCBDMM Cc1cc(NCCN2CCCS2(=O)=O)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592048345 1285091827 /nfs/dbraw/zinc/09/18/27/1285091827.db2.gz DIYUFQJTWWURDQ-UHFFFAOYSA-N -1 1 367.391 0.531 20 5 FCBDMM Cc1nn(CC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592438928 1285370948 /nfs/dbraw/zinc/37/09/48/1285370948.db2.gz WKYXGTGOSDIZMR-UHFFFAOYSA-N -1 1 355.314 0.831 20 5 FCBDMM Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001592602805 1285536838 /nfs/dbraw/zinc/53/68/38/1285536838.db2.gz WBUJUYBTTFUZHL-UHFFFAOYSA-N -1 1 364.272 0.717 20 5 FCBDMM Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001592602805 1285536845 /nfs/dbraw/zinc/53/68/45/1285536845.db2.gz WBUJUYBTTFUZHL-UHFFFAOYSA-N -1 1 364.272 0.717 20 5 FCBDMM Cn1nccc1CN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001592608015 1285551278 /nfs/dbraw/zinc/55/12/78/1285551278.db2.gz YVGORRQXIVFHML-UHFFFAOYSA-N -1 1 370.377 0.226 20 5 FCBDMM Cn1nccc1CN1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001592608015 1285551283 /nfs/dbraw/zinc/55/12/83/1285551283.db2.gz YVGORRQXIVFHML-UHFFFAOYSA-N -1 1 370.377 0.226 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)NC[C@H]1Cc2ccccc2O1 ZINC001592937451 1285825127 /nfs/dbraw/zinc/82/51/27/1285825127.db2.gz BPHLLDRWRPDWAC-SNVBAGLBSA-N -1 1 370.329 0.091 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCO[C@H](Cn2ccnn2)C1 ZINC001593465923 1286170674 /nfs/dbraw/zinc/17/06/74/1286170674.db2.gz JVCFLYZQIWLIAX-JTQLQIEISA-N -1 1 357.334 0.272 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCO[C@H](Cn2ccnn2)C1 ZINC001593465923 1286170677 /nfs/dbraw/zinc/17/06/77/1286170677.db2.gz JVCFLYZQIWLIAX-JTQLQIEISA-N -1 1 357.334 0.272 20 5 FCBDMM O=[N+]([O-])c1cccc(CN2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001593484318 1286174391 /nfs/dbraw/zinc/17/43/91/1286174391.db2.gz VKGLNDFNRGDVSG-UHFFFAOYSA-N -1 1 367.373 0.887 20 5 FCBDMM O=[N+]([O-])c1cccc(CN2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001593484318 1286174394 /nfs/dbraw/zinc/17/43/94/1286174394.db2.gz VKGLNDFNRGDVSG-UHFFFAOYSA-N -1 1 367.373 0.887 20 5 FCBDMM O=c1c(-c2nn[n-]n2)cn(C[C@@H]2COCCO2)c2ccc([N+](=O)[O-])cc12 ZINC001593495042 1286181918 /nfs/dbraw/zinc/18/19/18/1286181918.db2.gz QBXPIAHWLWNAMI-SNVBAGLBSA-N -1 1 358.314 0.505 20 5 FCBDMM Cc1nn(CCC(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC001600784540 1286544688 /nfs/dbraw/zinc/54/46/88/1286544688.db2.gz ONNRMYNFWGGACC-NSHDSACASA-N -1 1 367.406 0.806 20 5 FCBDMM O=C([O-])C1CCN(C(=O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC001601822801 1286842998 /nfs/dbraw/zinc/84/29/98/1286842998.db2.gz GSUXVZBGMXWSHR-UHFFFAOYSA-N -1 1 365.390 0.751 20 5 FCBDMM COC(=O)[C@H](C)NC(=O)[C@H](C)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001604962098 1287820049 /nfs/dbraw/zinc/82/00/49/1287820049.db2.gz UWAHWZXNABMVKK-YUMQZZPRSA-N -1 1 363.334 0.253 20 5 FCBDMM COC(=O)[C@H](C)NC(=O)[C@H](C)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001604962098 1287820053 /nfs/dbraw/zinc/82/00/53/1287820053.db2.gz UWAHWZXNABMVKK-YUMQZZPRSA-N -1 1 363.334 0.253 20 5 FCBDMM CS(=O)(=O)C[C@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001605353339 1287934019 /nfs/dbraw/zinc/93/40/19/1287934019.db2.gz AXXDYFUXKZZQBS-QMMMGPOBSA-N -1 1 353.364 0.041 20 5 FCBDMM CS(=O)(=O)C[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001605353339 1287934024 /nfs/dbraw/zinc/93/40/24/1287934024.db2.gz AXXDYFUXKZZQBS-QMMMGPOBSA-N -1 1 353.364 0.041 20 5 FCBDMM Cc1c(-c2nn[n-]n2)c(=O)n(CCOc2cccc([N+](=O)[O-])c2)c(=O)n1C ZINC001605464114 1287972102 /nfs/dbraw/zinc/97/21/02/1287972102.db2.gz BPLZRGSHWBUNHI-UHFFFAOYSA-N -1 1 373.329 0.023 20 5 FCBDMM Cc1cc(COC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)ccc1[N+](=O)[O-] ZINC001605662774 1288047711 /nfs/dbraw/zinc/04/77/11/1288047711.db2.gz GBARYIOSKDDJIV-VIFPVBQESA-N -1 1 358.318 0.979 20 5 FCBDMM O=C1NCCN1[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001607053497 1288624431 /nfs/dbraw/zinc/62/44/31/1288624431.db2.gz URSCZZBOYMSNLE-NSHDSACASA-N -1 1 358.362 0.769 20 5 FCBDMM O=C1NCCN1[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001607053497 1288624437 /nfs/dbraw/zinc/62/44/37/1288624437.db2.gz URSCZZBOYMSNLE-NSHDSACASA-N -1 1 358.362 0.769 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)NC[C@@H]2CC[C@H](O)C2)c1 ZINC001607080263 1288650761 /nfs/dbraw/zinc/65/07/61/1288650761.db2.gz QYJLOXGCNXFBCV-SCZZXKLOSA-N -1 1 368.375 0.214 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)NC[C@@H]2CC[C@H](O)C2)c1 ZINC001607080263 1288650766 /nfs/dbraw/zinc/65/07/66/1288650766.db2.gz QYJLOXGCNXFBCV-SCZZXKLOSA-N -1 1 368.375 0.214 20 5 FCBDMM O=[N+]([O-])c1cc(S(=O)(=O)Oc2cccnc2-c2nn[n-]n2)cs1 ZINC001607079937 1288650935 /nfs/dbraw/zinc/65/09/35/1288650935.db2.gz PPYBZIJHPSSXJA-UHFFFAOYSA-N -1 1 354.329 0.999 20 5 FCBDMM O=[N+]([O-])c1cccnc1N1CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001607084859 1288651752 /nfs/dbraw/zinc/65/17/52/1288651752.db2.gz CALASKOYWKGGJF-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1cccnc1N1CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001607084859 1288651754 /nfs/dbraw/zinc/65/17/54/1288651754.db2.gz CALASKOYWKGGJF-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCN(c2ccnnc2)CC1 ZINC001607085452 1288653186 /nfs/dbraw/zinc/65/31/86/1288653186.db2.gz CONVKTAZNDVYIP-UHFFFAOYSA-N -1 1 359.375 0.953 20 5 FCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCN(c2ccnnc2)CC1 ZINC001607085452 1288653188 /nfs/dbraw/zinc/65/31/88/1288653188.db2.gz CONVKTAZNDVYIP-UHFFFAOYSA-N -1 1 359.375 0.953 20 5 FCBDMM O=[N+]([O-])c1cnc(NCCn2cnc(-c3nn[n-]n3)n2)c(C(F)(F)F)c1 ZINC001607086821 1288653583 /nfs/dbraw/zinc/65/35/83/1288653583.db2.gz SAWLBUUXARTSDS-UHFFFAOYSA-N -1 1 370.255 0.892 20 5 FCBDMM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)n1 ZINC001609550325 1289218292 /nfs/dbraw/zinc/21/82/92/1289218292.db2.gz HDUNKQVMFZXBOH-UHFFFAOYSA-N -1 1 355.314 0.979 20 5 FCBDMM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)n1 ZINC001609550325 1289218301 /nfs/dbraw/zinc/21/83/01/1289218301.db2.gz HDUNKQVMFZXBOH-UHFFFAOYSA-N -1 1 355.314 0.979 20 5 FCBDMM CN1CCC(O)(CNS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001610133356 1289386468 /nfs/dbraw/zinc/38/64/68/1289386468.db2.gz KJUKXGZRQYVCDU-UHFFFAOYSA-N -1 1 373.387 0.028 20 5 FCBDMM Cc1c(NC(=O)C(=O)N2C[C@H](C)NC[C@@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610417516 1289483340 /nfs/dbraw/zinc/48/33/40/1289483340.db2.gz MVWNCEJJYZTSQM-IUCAKERBSA-N -1 1 364.358 0.749 20 5 FCBDMM Cc1c(NC(=O)C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001610422126 1289484986 /nfs/dbraw/zinc/48/49/86/1289484986.db2.gz VCZJKPOJTWOBOC-NSHDSACASA-N -1 1 364.358 0.317 20 5 FCBDMM Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001610559663 1289510647 /nfs/dbraw/zinc/51/06/47/1289510647.db2.gz QMESJMORAVYCQP-NSHDSACASA-N -1 1 353.379 0.497 20 5 FCBDMM CCOC(=O)c1[n-]c(=O)nc(OCCN2CC[C@@H](OC)C2)c1[N+](=O)[O-] ZINC001226016086 857078576 /nfs/dbraw/zinc/07/85/76/857078576.db2.gz SFJODNFMZSQKGY-SECBINFHSA-N -1 1 356.335 0.367 20 5 FCBDMM CNC(=O)c1ccc(C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC001309095775 866740731 /nfs/dbraw/zinc/74/07/31/866740731.db2.gz FNUJXUOOMLQQBU-UHFFFAOYSA-N -1 1 353.360 0.166 20 5 FCBDMM O=C1OCC[C@@H]1N1CCC([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC001309317274 866779530 /nfs/dbraw/zinc/77/95/30/866779530.db2.gz YICNVYKMJUWNDC-NSHDSACASA-N -1 1 370.387 0.048 20 5 FCBDMM 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O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000823652204 599339279 /nfs/dbraw/zinc/33/92/79/599339279.db2.gz WMNAHCKKMYEZBN-UHFFFAOYSA-N -1 1 361.343 0.648 20 5 FCBDMM O=[N+]([O-])c1ccc(NCCN2CCCS2(=O)=O)cc1-c1nnn[n-]1 ZINC000826498766 607452364 /nfs/dbraw/zinc/45/23/64/607452364.db2.gz IYFDXPCHNMIXSI-UHFFFAOYSA-N -1 1 353.364 0.222 20 5 FCBDMM O=[N+]([O-])c1ccc(NCCN2CCCS2(=O)=O)cc1-c1nn[n-]n1 ZINC000826498766 607452366 /nfs/dbraw/zinc/45/23/66/607452366.db2.gz IYFDXPCHNMIXSI-UHFFFAOYSA-N -1 1 353.364 0.222 20 5 FCBDMM Cc1nc(CN2CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000738353313 600538444 /nfs/dbraw/zinc/53/84/44/600538444.db2.gz MWLOFJSIFLPNJF-UHFFFAOYSA-N -1 1 374.357 0.678 20 5 FCBDMM O=C([O-])c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)c[nH]1 ZINC000833304018 600673780 /nfs/dbraw/zinc/67/37/80/600673780.db2.gz KJTDAGBKWCKRRF-UHFFFAOYSA-N -1 1 370.343 0.826 20 5 FCBDMM C[C@@H]1CN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C(=O)[O-] ZINC000828451122 601814212 /nfs/dbraw/zinc/81/42/12/601814212.db2.gz SHIZYYFAIQMISG-ZWNOBZJWSA-N -1 1 362.342 0.973 20 5 FCBDMM CC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)COC1 ZINC000824824343 607614640 /nfs/dbraw/zinc/61/46/40/607614640.db2.gz VERWLZHHQUOSRJ-UHFFFAOYSA-N -1 1 354.348 0.090 20 5 FCBDMM CC(C)C[C@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824235055 607628960 /nfs/dbraw/zinc/62/89/60/607628960.db2.gz BAKIAYPGPLCSGM-VIFPVBQESA-N -1 1 370.391 0.460 20 5 FCBDMM CC(C)(C)[C@@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824071228 607635151 /nfs/dbraw/zinc/63/51/51/607635151.db2.gz HCSDQLXYYXQMPB-JTQLQIEISA-N -1 1 370.391 0.460 20 5 FCBDMM CC[C@H](CCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825115442 607641830 /nfs/dbraw/zinc/64/18/30/607641830.db2.gz YUYMBSVJEAIPQH-MRVPVSSYSA-N -1 1 356.364 0.214 20 5 FCBDMM C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC000824641065 607648387 /nfs/dbraw/zinc/64/83/87/607648387.db2.gz 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ZINC000820814891 606730863 /nfs/dbraw/zinc/73/08/63/606730863.db2.gz YVSZOIAXSUUEFU-MRVPVSSYSA-N -1 1 354.348 0.184 20 5 FCBDMM CO[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000821679960 606733034 /nfs/dbraw/zinc/73/30/34/606733034.db2.gz UPPYMYVXVIDSCP-SECBINFHSA-N -1 1 368.375 0.574 20 5 FCBDMM CCOCCN(CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821377858 606734984 /nfs/dbraw/zinc/73/49/84/606734984.db2.gz GTTHMUJUUZTIAA-UHFFFAOYSA-N -1 1 370.391 0.822 20 5 FCBDMM Cc1ccc([N+](=O)[O-])c(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000822270859 607024618 /nfs/dbraw/zinc/02/46/18/607024618.db2.gz ARYFYTJDJUFJJZ-UHFFFAOYSA-N -1 1 358.366 0.853 20 5 FCBDMM Cc1ccc([N+](=O)[O-])c(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000822270859 607024620 /nfs/dbraw/zinc/02/46/20/607024620.db2.gz ARYFYTJDJUFJJZ-UHFFFAOYSA-N -1 1 358.366 0.853 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCS(=O)(=O)CC1CC1 ZINC000823624702 607040874 /nfs/dbraw/zinc/04/08/74/607040874.db2.gz FJLQLTHKXKMRKA-UHFFFAOYSA-N -1 1 353.364 0.407 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCS(=O)(=O)CC1CC1 ZINC000823624702 607040875 /nfs/dbraw/zinc/04/08/75/607040875.db2.gz FJLQLTHKXKMRKA-UHFFFAOYSA-N -1 1 353.364 0.407 20 5 FCBDMM O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826498163 607895686 /nfs/dbraw/zinc/89/56/86/607895686.db2.gz JRKOJDQNKQWJJK-GXTWGEPZSA-N -1 1 357.330 0.676 20 5 FCBDMM O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826498163 607895687 /nfs/dbraw/zinc/89/56/87/607895687.db2.gz JRKOJDQNKQWJJK-GXTWGEPZSA-N -1 1 357.330 0.676 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCC[C@@H]2O)c1-c1nn[n-]n1 ZINC000826500101 607937903 /nfs/dbraw/zinc/93/79/03/607937903.db2.gz LBOJAZPCYYRAQR-SCZZXKLOSA-N -1 1 368.375 0.214 20 5 FCBDMM Nc1n[nH]c(CCCNc2ccc3ncc([N+](=O)[O-])n3n2)c1-c1nn[n-]n1 ZINC000826395155 607988703 /nfs/dbraw/zinc/98/87/03/607988703.db2.gz OTGKVPXJPHUQNS-UHFFFAOYSA-N -1 1 370.337 0.168 20 5 FCBDMM CN(CCCC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825918945 608010271 /nfs/dbraw/zinc/01/02/71/608010271.db2.gz QBIZAPDDMVGSLO-UHFFFAOYSA-N -1 1 370.347 0.260 20 5 FCBDMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccccc1[N+](=O)[O-] ZINC000824648688 608415843 /nfs/dbraw/zinc/41/58/43/608415843.db2.gz ITUDHLKZDOIDQM-MRVPVSSYSA-N -1 1 372.345 0.345 20 5 FCBDMM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)Cn1cnc(-c3nn[n-]n3)n1)CC2 ZINC000826272985 608592549 /nfs/dbraw/zinc/59/25/49/608592549.db2.gz KDAMCSNTLCYGPU-UHFFFAOYSA-N -1 1 355.318 0.264 20 5 FCBDMM C[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000824891956 608756558 /nfs/dbraw/zinc/75/65/58/608756558.db2.gz CWRUAQUVSXHIAQ-DTWKUNHWSA-N -1 1 368.375 0.621 20 5 FCBDMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000826424930 608890551 /nfs/dbraw/zinc/89/05/51/608890551.db2.gz IWCOLBSBAYFPQU-UHFFFAOYSA-N -1 1 358.274 0.339 20 5 FCBDMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000826424930 608890556 /nfs/dbraw/zinc/89/05/56/608890556.db2.gz IWCOLBSBAYFPQU-UHFFFAOYSA-N -1 1 358.274 0.339 20 5 FCBDMM CC(C)(O)C(C)(C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824168234 609180223 /nfs/dbraw/zinc/18/02/23/609180223.db2.gz YMVOGERPBRFCDR-UHFFFAOYSA-N -1 1 370.391 0.603 20 5 FCBDMM C[C@@H](O)[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824686890 609582430 /nfs/dbraw/zinc/58/24/30/609582430.db2.gz CYDHXGQBBXSFJM-RKDXNWHRSA-N -1 1 368.375 0.166 20 5 FCBDMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCc1cccc([N+](=O)[O-])c1 ZINC000912540118 666452841 /nfs/dbraw/zinc/45/28/41/666452841.db2.gz BPKSGPLNPUJZPN-UHFFFAOYSA-N -1 1 354.344 0.626 20 5 FCBDMM O=C1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CN1 ZINC000232228069 666608425 /nfs/dbraw/zinc/60/84/25/666608425.db2.gz DGSZWPQVLGNYHQ-ZETCQYMHSA-N -1 1 364.177 0.524 20 5 FCBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])S(C)(=O)=O ZINC000754053849 667581546 /nfs/dbraw/zinc/58/15/46/667581546.db2.gz XVTQMOCUQHGFOI-SSDOTTSWSA-N -1 1 356.809 0.960 20 5 FCBDMM CCOC(=O)[C@@](C)(O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000763205789 667945776 /nfs/dbraw/zinc/94/57/76/667945776.db2.gz FZHLKXAOFMPKIM-LBPRGKRZSA-N -1 1 350.324 0.326 20 5 FCBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000770483966 668198136 /nfs/dbraw/zinc/19/81/36/668198136.db2.gz IFCCEDMSFXHCLE-MRVPVSSYSA-N -1 1 362.264 0.931 20 5 FCBDMM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815031629 669896524 /nfs/dbraw/zinc/89/65/24/669896524.db2.gz YUMSEIXBACBMTD-QMMMGPOBSA-N -1 1 370.742 0.590 20 5 FCBDMM CC[C@](COC)([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)OC ZINC000841531701 670581915 /nfs/dbraw/zinc/58/19/15/670581915.db2.gz OIMHGLPTPMSIRV-CYBMUJFWSA-N -1 1 364.351 0.980 20 5 FCBDMM O=C([N-]S(=O)(=O)c1cc(Br)cs1)[C@@H]1CC1[N+](=O)[O-] ZINC000842362026 670678348 /nfs/dbraw/zinc/67/83/48/670678348.db2.gz UFEARCIQMJSVJD-PHDIDXHHSA-N -1 1 355.191 0.981 20 5 FCBDMM O=C(CCCCc1cn[nH]n1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000851328447 671436585 /nfs/dbraw/zinc/43/65/85/671436585.db2.gz IAGNPUZKCJCAGZ-UHFFFAOYSA-N -1 1 354.348 0.326 20 5 FCBDMM O=C(CCn1cc[n-]c(=O)c1=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000739746659 1198026959 /nfs/dbraw/zinc/02/69/59/1198026959.db2.gz SZNKSAASIFMCFG-UHFFFAOYSA-N -1 1 360.370 0.974 20 5 FCBDMM CCCCNC(=O)CN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000770102186 1200404967 /nfs/dbraw/zinc/40/49/67/1200404967.db2.gz JMGLEUMAFUUZSB-UHFFFAOYSA-N -1 1 365.390 0.370 20 5 FCBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N1CCC2(CC1)OCCO2 ZINC000780077002 1218196463 /nfs/dbraw/zinc/19/64/63/1218196463.db2.gz ZNFXIKDRMJGTKW-UHFFFAOYSA-N -1 1 366.326 0.823 20 5 FCBDMM Cc1cc(Nc2c(O)[nH]c(=O)[n-]c2=S)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001160857508 1223178199 /nfs/dbraw/zinc/17/81/99/1223178199.db2.gz GIWSVOVECIDPRH-NSHDSACASA-N -1 1 372.366 0.729 20 5 FCBDMM Cc1nc(C(N)=O)c(O[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)c(=O)[n-]1 ZINC001234479138 1259561638 /nfs/dbraw/zinc/56/16/38/1259561638.db2.gz WJHHODVWLFVUEH-NSHDSACASA-N -1 1 362.298 0.715 20 5 FCBDMM Cc1nc(C(N)=O)c(O[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)c(=O)[n-]1 ZINC001234479235 1259562872 /nfs/dbraw/zinc/56/28/72/1259562872.db2.gz YCYPILYTJRUPQJ-JTQLQIEISA-N -1 1 360.330 0.550 20 5 FCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC001338358616 1267918586 /nfs/dbraw/zinc/91/85/86/1267918586.db2.gz LLAILVFKHSDGPG-UHFFFAOYSA-N -1 1 364.358 0.406 20 5 FCBDMM CC(C)NS(=O)(=O)CCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001574297138 1271172650 /nfs/dbraw/zinc/17/26/50/1271172650.db2.gz PRUUFCAFWGONCE-UHFFFAOYSA-N -1 1 361.409 0.576 20 5 FCBDMM CC(C)NS(=O)(=O)CCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001574297138 1271172653 /nfs/dbraw/zinc/17/26/53/1271172653.db2.gz PRUUFCAFWGONCE-UHFFFAOYSA-N -1 1 361.409 0.576 20 5 FCBDMM C[C@H](O)C[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001575475504 1272144709 /nfs/dbraw/zinc/14/47/09/1272144709.db2.gz WEICMNYFBVRMNR-IUCAKERBSA-N -1 1 370.391 0.460 20 5 FCBDMM C[C@H](O)C[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001575475504 1272144717 /nfs/dbraw/zinc/14/47/17/1272144717.db2.gz WEICMNYFBVRMNR-IUCAKERBSA-N -1 1 370.391 0.460 20 5 FCBDMM C[C@]1(C2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)COC(=O)N1 ZINC001575752591 1272416082 /nfs/dbraw/zinc/41/60/82/1272416082.db2.gz OOJFSKLQAGGPSC-OAHLLOKOSA-N -1 1 374.361 0.885 20 5 FCBDMM C[C@]1(C2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)COC(=O)N1 ZINC001575752591 1272416086 /nfs/dbraw/zinc/41/60/86/1272416086.db2.gz OOJFSKLQAGGPSC-OAHLLOKOSA-N -1 1 374.361 0.885 20 5 FCBDMM COC[C@@]1(C(=O)OC)CCCN1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001579741049 1277851596 /nfs/dbraw/zinc/85/15/96/1277851596.db2.gz ZIRDSTJEZBZECT-CYBMUJFWSA-N -1 1 368.375 0.995 20 5 FCBDMM COC[C@@]1(C(=O)OC)CCCN1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001579741049 1277851599 /nfs/dbraw/zinc/85/15/99/1277851599.db2.gz ZIRDSTJEZBZECT-CYBMUJFWSA-N -1 1 368.375 0.995 20 5 FCBDMM Cc1ccc(CNC(=O)NCCn2cnc(-c3nn[n-]n3)n2)cc1[N+](=O)[O-] ZINC001581197284 1279497797 /nfs/dbraw/zinc/49/77/97/1279497797.db2.gz SMDRUPQGYIWNAX-UHFFFAOYSA-N -1 1 372.349 0.174 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)NC[C@H]2CCCCO2)c1 ZINC001582803619 1282030575 /nfs/dbraw/zinc/03/05/75/1282030575.db2.gz NYWORDYXKSNVFQ-SNVBAGLBSA-N -1 1 368.375 0.622 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)NC[C@H]2CCCCO2)c1 ZINC001582803619 1282030581 /nfs/dbraw/zinc/03/05/81/1282030581.db2.gz NYWORDYXKSNVFQ-SNVBAGLBSA-N -1 1 368.375 0.622 20 5 FCBDMM CC(C)n1nccc1NC(=O)[C@H](C)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001589020236 1282772310 /nfs/dbraw/zinc/77/23/10/1282772310.db2.gz FQOYZFGFZDCXAD-QMMMGPOBSA-N -1 1 360.338 0.949 20 5 FCBDMM CC(C)(C(=O)NCc1nc(-c2nnn[n-]2)cs1)n1cc([N+](=O)[O-])cn1 ZINC001589052601 1282786399 /nfs/dbraw/zinc/78/63/99/1282786399.db2.gz FRRZVFKRWJIUMG-UHFFFAOYSA-N -1 1 363.363 0.479 20 5 FCBDMM CC(C)(C(=O)NCc1nc(-c2nn[n-]n2)cs1)n1cc([N+](=O)[O-])cn1 ZINC001589052601 1282786408 /nfs/dbraw/zinc/78/64/08/1282786408.db2.gz FRRZVFKRWJIUMG-UHFFFAOYSA-N -1 1 363.363 0.479 20 5 FCBDMM C[C@@H](CNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)c1ccccc1[N+](=O)[O-] ZINC001589850698 1283086639 /nfs/dbraw/zinc/08/66/39/1283086639.db2.gz HGPIUBYBZZAGQM-UWVGGRQHSA-N -1 1 371.361 0.847 20 5 FCBDMM C[C@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC001589876510 1283105482 /nfs/dbraw/zinc/10/54/82/1283105482.db2.gz YGCXYFAOKJRBEV-MRVPVSSYSA-N -1 1 372.345 0.790 20 5 FCBDMM C[C@@](O)(CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1)C1CC1 ZINC001589992011 1283162212 /nfs/dbraw/zinc/16/22/12/1283162212.db2.gz WJZGBRRTVWPDJB-CYBMUJFWSA-N -1 1 368.375 0.214 20 5 FCBDMM C[C@@](O)(CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1)C1CC1 ZINC001589992011 1283162218 /nfs/dbraw/zinc/16/22/18/1283162218.db2.gz WJZGBRRTVWPDJB-CYBMUJFWSA-N -1 1 368.375 0.214 20 5 FCBDMM C[C@@H](O)[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590003094 1283172112 /nfs/dbraw/zinc/17/21/12/1283172112.db2.gz LMYHWWWSGSGCPR-LDYMZIIASA-N -1 1 368.375 0.309 20 5 FCBDMM C[C@@H](O)[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590003094 1283172115 /nfs/dbraw/zinc/17/21/15/1283172115.db2.gz LMYHWWWSGSGCPR-LDYMZIIASA-N -1 1 368.375 0.309 20 5 FCBDMM CC1(C)C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CO1 ZINC001590083794 1283208198 /nfs/dbraw/zinc/20/81/98/1283208198.db2.gz KJLXJSKZWSBABX-QMMMGPOBSA-N -1 1 368.375 0.621 20 5 FCBDMM CC1(C)C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CO1 ZINC001590083794 1283208202 /nfs/dbraw/zinc/20/82/02/1283208202.db2.gz KJLXJSKZWSBABX-QMMMGPOBSA-N -1 1 368.375 0.621 20 5 FCBDMM C[C@]1(CO)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590136420 1283239256 /nfs/dbraw/zinc/23/92/56/1283239256.db2.gz MAJBXRLGLVDJSB-CYBMUJFWSA-N -1 1 368.375 0.310 20 5 FCBDMM C[C@]1(CO)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590136420 1283239259 /nfs/dbraw/zinc/23/92/59/1283239259.db2.gz MAJBXRLGLVDJSB-CYBMUJFWSA-N -1 1 368.375 0.310 20 5 FCBDMM C[C@@H]1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCS1(=O)=O ZINC001590212842 1283342887 /nfs/dbraw/zinc/34/28/87/1283342887.db2.gz UIZPECOOPLGBBU-HTQZYQBOSA-N -1 1 353.364 0.548 20 5 FCBDMM C[C@@H]1C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCS1(=O)=O ZINC001590212842 1283342896 /nfs/dbraw/zinc/34/28/96/1283342896.db2.gz UIZPECOOPLGBBU-HTQZYQBOSA-N -1 1 353.364 0.548 20 5 FCBDMM C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CCCO1 ZINC001590307538 1283451094 /nfs/dbraw/zinc/45/10/94/1283451094.db2.gz BUAGTUJIUFSCFL-VIFPVBQESA-N -1 1 368.375 0.574 20 5 FCBDMM C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CCCO1 ZINC001590307538 1283451102 /nfs/dbraw/zinc/45/11/02/1283451102.db2.gz BUAGTUJIUFSCFL-VIFPVBQESA-N -1 1 368.375 0.574 20 5 FCBDMM CC[C@@H](C[C@H](C)O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001590421389 1283530884 /nfs/dbraw/zinc/53/08/84/1283530884.db2.gz IKUJEMAEMKYOEB-IUCAKERBSA-N -1 1 370.391 0.603 20 5 FCBDMM CC[C@H](O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590476303 1283554824 /nfs/dbraw/zinc/55/48/24/1283554824.db2.gz FIWDZPSSRSIMMY-VIFPVBQESA-N -1 1 356.364 0.214 20 5 FCBDMM CC[C@H](O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590476303 1283554832 /nfs/dbraw/zinc/55/48/32/1283554832.db2.gz FIWDZPSSRSIMMY-VIFPVBQESA-N -1 1 356.364 0.214 20 5 FCBDMM CCS(=O)(=O)C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001590847646 1283924831 /nfs/dbraw/zinc/92/48/31/1283924831.db2.gz QEWLRYUDLMAWCK-UHFFFAOYSA-N -1 1 367.391 0.573 20 5 FCBDMM CCS(=O)(=O)C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001590847646 1283924836 /nfs/dbraw/zinc/92/48/36/1283924836.db2.gz QEWLRYUDLMAWCK-UHFFFAOYSA-N -1 1 367.391 0.573 20 5 FCBDMM CNS(=O)(=O)[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001591218679 1284356715 /nfs/dbraw/zinc/35/67/15/1284356715.db2.gz ACAGDXPFECRYFY-SECBINFHSA-N -1 1 367.391 0.293 20 5 FCBDMM CNS(=O)(=O)[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001591218679 1284356722 /nfs/dbraw/zinc/35/67/22/1284356722.db2.gz ACAGDXPFECRYFY-SECBINFHSA-N -1 1 367.391 0.293 20 5 FCBDMM COC(=O)C(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591227824 1284367290 /nfs/dbraw/zinc/36/72/90/1284367290.db2.gz XSGUNTODGTVKOI-UHFFFAOYSA-N -1 1 370.347 0.005 20 5 FCBDMM COC(=O)C(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591227824 1284367297 /nfs/dbraw/zinc/36/72/97/1284367297.db2.gz XSGUNTODGTVKOI-UHFFFAOYSA-N -1 1 370.347 0.005 20 5 FCBDMM COc1ccccc1CNC(=O)[C@@H](C)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001591650490 1284779905 /nfs/dbraw/zinc/77/99/05/1284779905.db2.gz TVGAJCDIGUFHNE-SECBINFHSA-N -1 1 372.345 0.857 20 5 FCBDMM COc1ccccc1CNC(=O)[C@H](C)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001591650491 1284780718 /nfs/dbraw/zinc/78/07/18/1284780718.db2.gz TVGAJCDIGUFHNE-VIFPVBQESA-N -1 1 372.345 0.857 20 5 FCBDMM COc1ncc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1-c1nn[n-]n1 ZINC001591665129 1284794602 /nfs/dbraw/zinc/79/46/02/1284794602.db2.gz ZUSCAILIVPQCMW-UHFFFAOYSA-N -1 1 359.306 0.404 20 5 FCBDMM C[C@H]1COCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591774458 1284894908 /nfs/dbraw/zinc/89/49/08/1284894908.db2.gz LIYBXFKTOUWUAZ-QMMMGPOBSA-N -1 1 354.348 0.184 20 5 FCBDMM C[C@H]1COCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591774458 1284894914 /nfs/dbraw/zinc/89/49/14/1284894914.db2.gz LIYBXFKTOUWUAZ-QMMMGPOBSA-N -1 1 354.348 0.184 20 5 FCBDMM Cc1nn(-c2ccccc2)c(Cn2cnc([N+](=O)[O-])n2)c1-c1nn[n-]n1 ZINC001592427056 1285355226 /nfs/dbraw/zinc/35/52/26/1285355226.db2.gz KLEPSNLZCVDLDZ-UHFFFAOYSA-N -1 1 352.318 0.909 20 5 FCBDMM Cn1cc(CN2CCN(c3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cn1 ZINC001592571802 1285489896 /nfs/dbraw/zinc/48/98/96/1285489896.db2.gz UMABASFGWOKNDN-UHFFFAOYSA-N -1 1 369.389 0.831 20 5 FCBDMM Nc1nc(Br)ccc1Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001592760524 1285682533 /nfs/dbraw/zinc/68/25/33/1285682533.db2.gz ASOILZLBIZKBPE-UHFFFAOYSA-N -1 1 366.139 0.759 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)NCc1cc(F)cc(F)c1 ZINC001592937634 1285827392 /nfs/dbraw/zinc/82/73/92/1285827392.db2.gz ILNUUGOUJQHVCJ-UHFFFAOYSA-N -1 1 364.272 0.566 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(c2ccnnc2)CC1 ZINC001593466886 1286170067 /nfs/dbraw/zinc/17/00/67/1286170067.db2.gz ZVRGJCCILHHTFP-UHFFFAOYSA-N -1 1 354.334 0.287 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(c2ccnnc2)CC1 ZINC001593466886 1286170074 /nfs/dbraw/zinc/17/00/74/1286170074.db2.gz ZVRGJCCILHHTFP-UHFFFAOYSA-N -1 1 354.334 0.287 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]2CCO)c1-c1nn[n-]n1 ZINC001593484341 1286174858 /nfs/dbraw/zinc/17/48/58/1286174858.db2.gz XADGZMINCAWSLA-SECBINFHSA-N -1 1 368.375 0.310 20 5 FCBDMM O=[N+]([O-])c1cccnc1N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001593486584 1286175785 /nfs/dbraw/zinc/17/57/85/1286175785.db2.gz BBNZHXYJDBCLIX-UHFFFAOYSA-N -1 1 354.334 0.287 20 5 FCBDMM O=[N+]([O-])c1cccnc1N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001593486584 1286175787 /nfs/dbraw/zinc/17/57/87/1286175787.db2.gz BBNZHXYJDBCLIX-UHFFFAOYSA-N -1 1 354.334 0.287 20 5 FCBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2F)n1 ZINC001600970707 1286585937 /nfs/dbraw/zinc/58/59/37/1286585937.db2.gz NVPSCTNMXFTPBA-UHFFFAOYSA-N -1 1 358.307 0.644 20 5 FCBDMM Cn1ccc([C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C(=O)[O-])n1 ZINC001600975325 1286586678 /nfs/dbraw/zinc/58/66/78/1286586678.db2.gz LYOMCDIZKJIUJL-SNVBAGLBSA-N -1 1 358.307 0.572 20 5 FCBDMM COCCCNC(=O)CN(C)c1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001605088923 1287876770 /nfs/dbraw/zinc/87/67/70/1287876770.db2.gz FFVGOTGLXNPOOX-UHFFFAOYSA-N -1 1 363.378 0.672 20 5 FCBDMM COCCCNC(=O)CN(C)c1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001605088923 1287876774 /nfs/dbraw/zinc/87/67/74/1287876774.db2.gz FFVGOTGLXNPOOX-UHFFFAOYSA-N -1 1 363.378 0.672 20 5 FCBDMM CS(=O)(=O)N1CCC[C@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001605357521 1287936148 /nfs/dbraw/zinc/93/61/48/1287936148.db2.gz QDVPDKZRMNAXNM-JTQLQIEISA-N -1 1 367.391 0.611 20 5 FCBDMM CS(=O)(=O)N1CCC[C@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001605357521 1287936155 /nfs/dbraw/zinc/93/61/55/1287936155.db2.gz QDVPDKZRMNAXNM-JTQLQIEISA-N -1 1 367.391 0.611 20 5 FCBDMM Cn1cc(N2CC[C@H](Nc3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)C2=O)cn1 ZINC001609479349 1289172792 /nfs/dbraw/zinc/17/27/92/1289172792.db2.gz IVIRPUNFCMIWKK-LBPRGKRZSA-N -1 1 369.345 0.726 20 5 FCBDMM Cn1cc(N2CC[C@H](Nc3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)C2=O)cn1 ZINC001609479349 1289172795 /nfs/dbraw/zinc/17/27/95/1289172795.db2.gz IVIRPUNFCMIWKK-LBPRGKRZSA-N -1 1 369.345 0.726 20 5 FCBDMM Cn1nc2c(cc1=O)CN(c1cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c1)CC2 ZINC001609482278 1289176328 /nfs/dbraw/zinc/17/63/28/1289176328.db2.gz RKVCCOLWIIRSTN-UHFFFAOYSA-N -1 1 369.345 0.014 20 5 FCBDMM Cn1nc2c(cc1=O)CN(c1cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c1)CC2 ZINC001609482278 1289176333 /nfs/dbraw/zinc/17/63/33/1289176333.db2.gz RKVCCOLWIIRSTN-UHFFFAOYSA-N -1 1 369.345 0.014 20 5 FCBDMM O=C1NCCN1[C@H]1CCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001607052386 1288621710 /nfs/dbraw/zinc/62/17/10/1288621710.db2.gz IORMTIKTOFIOIH-QMMMGPOBSA-N -1 1 364.391 0.830 20 5 FCBDMM O=C1NCCN1[C@H]1CCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001607052386 1288621714 /nfs/dbraw/zinc/62/17/14/1288621714.db2.gz IORMTIKTOFIOIH-QMMMGPOBSA-N -1 1 364.391 0.830 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001607077044 1288650717 /nfs/dbraw/zinc/65/07/17/1288650717.db2.gz JAUKCGIHGODNBK-LLVKDONJSA-N -1 1 371.361 0.700 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001607077044 1288650719 /nfs/dbraw/zinc/65/07/19/1288650719.db2.gz JAUKCGIHGODNBK-LLVKDONJSA-N -1 1 371.361 0.700 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)NC[C@@H]2CCCS2)c1 ZINC001607079887 1288650776 /nfs/dbraw/zinc/65/07/76/1288650776.db2.gz NOASSWZEMGUVTN-VIFPVBQESA-N -1 1 370.416 0.949 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)NC[C@@H]2CCCS2)c1 ZINC001607079887 1288650780 /nfs/dbraw/zinc/65/07/80/1288650780.db2.gz NOASSWZEMGUVTN-VIFPVBQESA-N -1 1 370.416 0.949 20 5 FCBDMM O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)c1cccnc1-c1nn[n-]n1)CC2 ZINC001607083585 1288651806 /nfs/dbraw/zinc/65/18/06/1288651806.db2.gz LSAOFOKRSYKGDF-UHFFFAOYSA-N -1 1 373.354 0.921 20 5 FCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001607086559 1288654303 /nfs/dbraw/zinc/65/43/03/1288654303.db2.gz ZRLSQXUMVVEYPX-HTQZYQBOSA-N -1 1 370.416 0.707 20 5 FCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001607086559 1288654306 /nfs/dbraw/zinc/65/43/06/1288654306.db2.gz ZRLSQXUMVVEYPX-HTQZYQBOSA-N -1 1 370.416 0.707 20 5 FCBDMM C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCS(=O)(=O)C1 ZINC001609174959 1288969164 /nfs/dbraw/zinc/96/91/64/1288969164.db2.gz DRYFSIPTUWTHLY-VIFPVBQESA-N -1 1 352.376 0.646 20 5 FCBDMM C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCS(=O)(=O)C1 ZINC001609174959 1288969169 /nfs/dbraw/zinc/96/91/69/1288969169.db2.gz DRYFSIPTUWTHLY-VIFPVBQESA-N -1 1 352.376 0.646 20 5 FCBDMM O=c1c(-c2nn[n-]n2)cccn1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001609604068 1289257715 /nfs/dbraw/zinc/25/77/15/1289257715.db2.gz TXSYRJYMTISCPC-UHFFFAOYSA-N -1 1 356.298 0.851 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCSC2)c1-c1nn[n-]n1 ZINC001609602760 1289258955 /nfs/dbraw/zinc/25/89/55/1289258955.db2.gz HGASDSOVNWXSID-QMMMGPOBSA-N -1 1 370.416 0.806 20 5 FCBDMM CN1CCN(CCN(CC(=O)[O-])C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001610136285 1289390128 /nfs/dbraw/zinc/39/01/28/1289390128.db2.gz DWGLQFKHGVWKHT-UHFFFAOYSA-N -1 1 364.402 0.298 20 5 FCBDMM COC[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC001155069668 849827274 /nfs/dbraw/zinc/82/72/74/849827274.db2.gz QJYUVEYRXWGPGZ-SECBINFHSA-N -1 1 358.717 0.947 20 5 FCBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C)CN1CCOCC1 ZINC001226307039 857095965 /nfs/dbraw/zinc/09/59/65/857095965.db2.gz DEODYYRBLJVBTD-SNVBAGLBSA-N -1 1 355.347 0.972 20 5 FCBDMM CN1CCO[C@H](COc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1=O ZINC001228860666 857233384 /nfs/dbraw/zinc/23/33/84/857233384.db2.gz WUMGEUUQPZRIDH-SSDOTTSWSA-N -1 1 351.237 0.950 20 5 FCBDMM COc1ccc([N+](=O)[O-])c(N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c1 ZINC001330166237 872503331 /nfs/dbraw/zinc/50/33/31/872503331.db2.gz VQDXDABDPHUSDP-MRXNPFEDSA-N -1 1 351.359 0.969 20 5 FCBDMM Cc1onc(CC(=O)NCCNc2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826347069 948049190 /nfs/dbraw/zinc/04/91/90/948049190.db2.gz DGCZFMGZDQPPIM-UHFFFAOYSA-N -1 1 372.345 0.842 20 5 FCBDMM Cc1onc(CC(=O)NCCNc2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826347069 948049197 /nfs/dbraw/zinc/04/91/97/948049197.db2.gz 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Cc1nc([C@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000593310971 546966520 /nfs/dbraw/zinc/96/65/20/546966520.db2.gz OKPYVJKLICQUJR-LURJTMIESA-N -1 1 355.332 0.759 20 5 FCBDMM Cc1nc([C@H](C)NS(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])n[nH]1 ZINC000593310987 546967106 /nfs/dbraw/zinc/96/71/06/546967106.db2.gz PIICXMNMQPZLNS-LURJTMIESA-N -1 1 355.332 0.759 20 5 FCBDMM CC(=O)NCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000819762607 597682042 /nfs/dbraw/zinc/68/20/42/597682042.db2.gz SVWFWABECVSSPT-QMMMGPOBSA-N -1 1 355.351 0.493 20 5 FCBDMM CCOC(=O)C1(O)CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000821321195 607346309 /nfs/dbraw/zinc/34/63/09/607346309.db2.gz WAXMGDKDJACTNC-UHFFFAOYSA-N -1 1 362.346 0.669 20 5 FCBDMM O=[N+]([O-])c1ccccc1N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738370291 598336718 /nfs/dbraw/zinc/33/67/18/598336718.db2.gz URICQIVVYBCGTR-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1ccccc1N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738370291 598336719 /nfs/dbraw/zinc/33/67/19/598336719.db2.gz URICQIVVYBCGTR-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM Cn1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C(N)=O ZINC000833054124 600691499 /nfs/dbraw/zinc/69/14/99/600691499.db2.gz LPQOMVQPPSXIBV-UHFFFAOYSA-N -1 1 368.327 0.531 20 5 FCBDMM O=C([O-])COc1cccc(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000833261879 600749944 /nfs/dbraw/zinc/74/99/44/600749944.db2.gz RJHRBRJAORMNRB-UHFFFAOYSA-N -1 1 367.339 0.932 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2nccs2)c1-c1nn[n-]n1 ZINC000826499942 607591630 /nfs/dbraw/zinc/59/16/30/607591630.db2.gz FPKOXHWVORUVKU-UHFFFAOYSA-N -1 1 367.372 0.710 20 5 FCBDMM CC(C)OC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824309911 607607730 /nfs/dbraw/zinc/60/77/30/607607730.db2.gz ZTEOIVCIYIKACK-UHFFFAOYSA-N -1 1 370.347 0.005 20 5 FCBDMM CC[C@@H](CCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825115443 607642157 /nfs/dbraw/zinc/64/21/57/607642157.db2.gz YUYMBSVJEAIPQH-QMMMGPOBSA-N -1 1 356.364 0.214 20 5 FCBDMM COC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(C)C ZINC000826151882 607646727 /nfs/dbraw/zinc/64/67/27/607646727.db2.gz LLNZLLIZAFXNEM-SECBINFHSA-N -1 1 370.391 0.724 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@H]3CCC[C@H]32)c1-c1nn[n-]n1 ZINC000826499981 607674502 /nfs/dbraw/zinc/67/45/02/607674502.db2.gz HDTMQNRBBZGCKD-RKDXNWHRSA-N -1 1 350.360 0.948 20 5 FCBDMM CNC(=O)c1ccc(N2CCN(CCC(=O)[O-])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000833700838 605050473 /nfs/dbraw/zinc/05/04/73/605050473.db2.gz SXXZMWWNFNJLES-NSHDSACASA-N -1 1 350.375 0.940 20 5 FCBDMM Cc1cc(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ncc1[N+](=O)[O-] ZINC000822206140 606035337 /nfs/dbraw/zinc/03/53/37/606035337.db2.gz VQGBYKUCWYGAAN-UHFFFAOYSA-N -1 1 358.366 0.853 20 5 FCBDMM Cc1cc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ncc1[N+](=O)[O-] ZINC000822206140 606035341 /nfs/dbraw/zinc/03/53/41/606035341.db2.gz VQGBYKUCWYGAAN-UHFFFAOYSA-N -1 1 358.366 0.853 20 5 FCBDMM O=C1NCCN1[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC000823548561 606646018 /nfs/dbraw/zinc/64/60/18/606646018.db2.gz ZEDMSDKOQNKYAS-NSHDSACASA-N -1 1 358.362 0.769 20 5 FCBDMM CC(C)(C(=O)OCc1ccnc(-c2nnn[n-]2)c1)n1cc([N+](=O)[O-])cn1 ZINC000819892039 606646915 /nfs/dbraw/zinc/64/69/15/606646915.db2.gz RDQSOKUGOUOVCS-UHFFFAOYSA-N -1 1 358.318 0.845 20 5 FCBDMM CC(C)(C(=O)OCc1ccnc(-c2nn[n-]n2)c1)n1cc([N+](=O)[O-])cn1 ZINC000819892039 606646916 /nfs/dbraw/zinc/64/69/16/606646916.db2.gz RDQSOKUGOUOVCS-UHFFFAOYSA-N -1 1 358.318 0.845 20 5 FCBDMM CCc1nnc2n1C[C@@H](Nc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC000821553851 606704643 /nfs/dbraw/zinc/70/46/43/606704643.db2.gz KYQGUMVSWMWKKI-QMMMGPOBSA-N -1 1 356.350 0.751 20 5 FCBDMM CCc1nnc2n1C[C@@H](Nc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC000821553851 606704647 /nfs/dbraw/zinc/70/46/47/606704647.db2.gz KYQGUMVSWMWKKI-QMMMGPOBSA-N -1 1 356.350 0.751 20 5 FCBDMM CC(C)C(=O)N[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820010637 606704968 /nfs/dbraw/zinc/70/49/68/606704968.db2.gz BFSFRMGVJBSKQK-JTQLQIEISA-N -1 1 360.378 0.911 20 5 FCBDMM CC(C)C(=O)N[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820010637 606704969 /nfs/dbraw/zinc/70/49/69/606704969.db2.gz BFSFRMGVJBSKQK-JTQLQIEISA-N -1 1 360.378 0.911 20 5 FCBDMM O=C1CCCN1C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000823530458 606708564 /nfs/dbraw/zinc/70/85/64/606708564.db2.gz KRVKWDHNTICROD-UHFFFAOYSA-N -1 1 358.362 0.761 20 5 FCBDMM O=C1CCCN1C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000823530458 606708566 /nfs/dbraw/zinc/70/85/66/606708566.db2.gz KRVKWDHNTICROD-UHFFFAOYSA-N -1 1 358.362 0.761 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@H](Cn2cccn2)C1 ZINC000823619969 606708870 /nfs/dbraw/zinc/70/88/70/606708870.db2.gz DMYRLKPVQWFOOJ-JTQLQIEISA-N -1 1 357.334 0.272 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@H](Cn2cccn2)C1 ZINC000823619969 606708871 /nfs/dbraw/zinc/70/88/71/606708871.db2.gz DMYRLKPVQWFOOJ-JTQLQIEISA-N -1 1 357.334 0.272 20 5 FCBDMM Cn1cc([C@]2(C)CN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CCO2)cn1 ZINC000822674109 606730225 /nfs/dbraw/zinc/73/02/25/606730225.db2.gz LMJPUONLGQHYRT-HNNXBMFYSA-N -1 1 371.361 0.655 20 5 FCBDMM Cn1cc([C@]2(C)CN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CCO2)cn1 ZINC000822674109 606730226 /nfs/dbraw/zinc/73/02/26/606730226.db2.gz LMJPUONLGQHYRT-HNNXBMFYSA-N -1 1 371.361 0.655 20 5 FCBDMM C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000820766862 606730582 /nfs/dbraw/zinc/73/05/82/606730582.db2.gz DIESDIYSZJQRKI-MRVPVSSYSA-N -1 1 354.348 0.184 20 5 FCBDMM COC(C)(C)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821672294 606736461 /nfs/dbraw/zinc/73/64/61/606736461.db2.gz FNXSVOMLWCSVLK-UHFFFAOYSA-N -1 1 370.391 0.820 20 5 FCBDMM O=C(c1ccco1)N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000823493954 607161179 /nfs/dbraw/zinc/16/11/79/607161179.db2.gz XIFAXDABCLTCRK-UHFFFAOYSA-N -1 1 370.329 0.725 20 5 FCBDMM O=C(c1ccco1)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000823493954 607161181 /nfs/dbraw/zinc/16/11/81/607161181.db2.gz XIFAXDABCLTCRK-UHFFFAOYSA-N -1 1 370.329 0.725 20 5 FCBDMM Cc1ccc([C@@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1[N+](=O)[O-] ZINC000822228979 607221559 /nfs/dbraw/zinc/22/15/59/607221559.db2.gz JXNPOHXLAFVCTR-SECBINFHSA-N -1 1 357.334 0.552 20 5 FCBDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823123235 607235097 /nfs/dbraw/zinc/23/50/97/607235097.db2.gz UEBQHGCWCUVFKN-UHFFFAOYSA-N -1 1 369.345 0.558 20 5 FCBDMM O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826498165 607895786 /nfs/dbraw/zinc/89/57/86/607895786.db2.gz JRKOJDQNKQWJJK-OCCSQVGLSA-N -1 1 357.330 0.676 20 5 FCBDMM O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826498165 607895787 /nfs/dbraw/zinc/89/57/87/607895787.db2.gz JRKOJDQNKQWJJK-OCCSQVGLSA-N -1 1 357.330 0.676 20 5 FCBDMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826395523 608120213 /nfs/dbraw/zinc/12/02/13/608120213.db2.gz GGISRGUPRHVOLS-UHFFFAOYSA-N -1 1 366.301 0.428 20 5 FCBDMM CN(CC(C)(C)S(C)(=O)=O)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000825897929 608148621 /nfs/dbraw/zinc/14/86/21/608148621.db2.gz RIBPGRXHPMRZEE-UHFFFAOYSA-N -1 1 355.380 0.429 20 5 FCBDMM CN(CC(C)(C)S(C)(=O)=O)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825897929 608148622 /nfs/dbraw/zinc/14/86/22/608148622.db2.gz RIBPGRXHPMRZEE-UHFFFAOYSA-N -1 1 355.380 0.429 20 5 FCBDMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccccc1[N+](=O)[O-] ZINC000824648691 608415837 /nfs/dbraw/zinc/41/58/37/608415837.db2.gz ITUDHLKZDOIDQM-QMMMGPOBSA-N -1 1 372.345 0.345 20 5 FCBDMM C[C@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000824891957 608756617 /nfs/dbraw/zinc/75/66/17/608756617.db2.gz CWRUAQUVSXHIAQ-IUCAKERBSA-N -1 1 368.375 0.621 20 5 FCBDMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc([N+](=O)[O-])cc2Cl)c1=O ZINC000826356928 609449338 /nfs/dbraw/zinc/44/93/38/609449338.db2.gz LBTWYJWDLIDZCT-UHFFFAOYSA-N -1 1 363.721 0.337 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]CC(=O)OC2CCCCC2)c([N+](=O)[O-])n1 ZINC000754815010 667612308 /nfs/dbraw/zinc/61/23/08/667612308.db2.gz MRTWEYIXWIEMNA-UHFFFAOYSA-N -1 1 360.392 0.965 20 5 FCBDMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000761385582 667888903 /nfs/dbraw/zinc/88/89/03/667888903.db2.gz PRFDPIOSYCXGKF-UHFFFAOYSA-N -1 1 371.327 0.115 20 5 FCBDMM Cc1c(C(=O)OCc2nc(=O)n(C)[n-]2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000765464136 668007461 /nfs/dbraw/zinc/00/74/61/668007461.db2.gz WJXOXXFHFHGKIZ-UHFFFAOYSA-N -1 1 351.275 0.899 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCCC23OCCO3)c([N+](=O)[O-])n1 ZINC000766835438 668037588 /nfs/dbraw/zinc/03/75/88/668037588.db2.gz KBJUORZILHTSFL-NSHDSACASA-N -1 1 360.392 0.775 20 5 FCBDMM O=C(COc1ccccc1[N+](=O)[O-])N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773159878 668076955 /nfs/dbraw/zinc/07/69/55/668076955.db2.gz NFWZQZPKPXUAOS-SNVBAGLBSA-N -1 1 350.360 0.803 20 5 FCBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000770483970 668197951 /nfs/dbraw/zinc/19/79/51/668197951.db2.gz IFCCEDMSFXHCLE-QMMMGPOBSA-N -1 1 362.264 0.931 20 5 FCBDMM O=C(NCCC1N=NC(=S)N1C1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000776345271 668258604 /nfs/dbraw/zinc/25/86/04/668258604.db2.gz AHPSVUWFCIFMPA-UHFFFAOYSA-N -1 1 350.360 0.883 20 5 FCBDMM CS(=O)(=O)c1n[n-]c(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC000778503331 668372848 /nfs/dbraw/zinc/37/28/48/668372848.db2.gz KBXBBKOQCZRYQG-UHFFFAOYSA-N -1 1 361.286 0.847 20 5 FCBDMM CS(=O)(=O)c1nnc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000778503331 668372849 /nfs/dbraw/zinc/37/28/49/668372849.db2.gz KBXBBKOQCZRYQG-UHFFFAOYSA-N -1 1 361.286 0.847 20 5 FCBDMM COC(=O)N1CCC(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000796177350 669085572 /nfs/dbraw/zinc/08/55/72/669085572.db2.gz UAISCEBEUWVDDT-UHFFFAOYSA-N -1 1 358.376 0.747 20 5 FCBDMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(C)C ZINC000798822618 669263575 /nfs/dbraw/zinc/26/35/75/669263575.db2.gz UOWXQQRLLNKYPK-LBPRGKRZSA-N -1 1 374.375 0.894 20 5 FCBDMM CNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000808327930 669561711 /nfs/dbraw/zinc/56/17/11/669561711.db2.gz FMSMBWYLWNWDSH-VIFPVBQESA-N -1 1 365.408 0.880 20 5 FCBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCn1ncnn1 ZINC000815027127 669895723 /nfs/dbraw/zinc/89/57/23/669895723.db2.gz XQPVSGZZLVGQOB-UHFFFAOYSA-N -1 1 350.719 0.352 20 5 FCBDMM COC(=O)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815029116 669896077 /nfs/dbraw/zinc/89/60/77/669896077.db2.gz JKVCRJONSWILOC-QMMMGPOBSA-N -1 1 356.715 0.200 20 5 FCBDMM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(N)=O ZINC000815029158 669896194 /nfs/dbraw/zinc/89/61/94/669896194.db2.gz KVRLMHPGVXWKAI-SSDOTTSWSA-N -1 1 355.731 0.166 20 5 FCBDMM O=C(Nc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000842368651 670679581 /nfs/dbraw/zinc/67/95/81/670679581.db2.gz YRFYCRJCHUTDLN-MWLCHTKSSA-N -1 1 353.356 0.505 20 5 FCBDMM COC(=O)c1ncc([N+](=O)[O-])c(C)c1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001170217513 1201200794 /nfs/dbraw/zinc/20/07/94/1201200794.db2.gz RYRHDMWBGGWIQX-UHFFFAOYSA-N -1 1 361.274 0.858 20 5 FCBDMM CC(C)(C)c1ccc(NC(=O)C(=O)NN2CC(=O)[N-]C2=O)cc1[N+](=O)[O-] ZINC000807063489 1202810011 /nfs/dbraw/zinc/81/00/11/1202810011.db2.gz VYADPMIKZBRKPO-UHFFFAOYSA-N -1 1 363.330 0.414 20 5 FCBDMM O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000753089666 1220086710 /nfs/dbraw/zinc/08/67/10/1220086710.db2.gz ZTQPKXZAXIYKFP-UHFFFAOYSA-N -1 1 357.330 0.713 20 5 FCBDMM CN(C)C(=O)Cn1ccc(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC001578961146 1276504786 /nfs/dbraw/zinc/50/47/86/1276504786.db2.gz VSDVFMSFFGZFDG-UHFFFAOYSA-N -1 1 357.334 0.803 20 5 FCBDMM CN(C)C(=O)Cn1ccc(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC001578961146 1276504788 /nfs/dbraw/zinc/50/47/88/1276504788.db2.gz VSDVFMSFFGZFDG-UHFFFAOYSA-N -1 1 357.334 0.803 20 5 FCBDMM C[C@@H](CCCCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001603472060 1287381725 /nfs/dbraw/zinc/38/17/25/1287381725.db2.gz LQODSAMCWJICSW-VIFPVBQESA-N -1 1 370.391 0.604 20 5 FCBDMM C[C@@H](CCCCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001603472060 1287381728 /nfs/dbraw/zinc/38/17/28/1287381728.db2.gz LQODSAMCWJICSW-VIFPVBQESA-N -1 1 370.391 0.604 20 5 FCBDMM C[C@H]1CSC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001603946410 1287542905 /nfs/dbraw/zinc/54/29/05/1287542905.db2.gz CVSCAXWPTPMBMX-YUMQZZPRSA-N -1 1 370.416 0.805 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCS(=O)(=O)N1CCCC1 ZINC001582801684 1282025984 /nfs/dbraw/zinc/02/59/84/1282025984.db2.gz CTGWDLHBHXOVAV-UHFFFAOYSA-N -1 1 368.379 0.007 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCS(=O)(=O)N1CCCC1 ZINC001582801684 1282025988 /nfs/dbraw/zinc/02/59/88/1282025988.db2.gz CTGWDLHBHXOVAV-UHFFFAOYSA-N -1 1 368.379 0.007 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(F)CC2)c1-c1nn[n-]n1 ZINC001582804909 1282029846 /nfs/dbraw/zinc/02/98/46/1282029846.db2.gz RCHMRWLUNMLPAW-UHFFFAOYSA-N -1 1 356.339 0.898 20 5 FCBDMM C[C@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001589002906 1282764403 /nfs/dbraw/zinc/76/44/03/1282764403.db2.gz HEXKDFQNQFHUPE-DTWKUNHWSA-N -1 1 357.334 0.805 20 5 FCBDMM C[C@@]1(CO)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590136424 1283239595 /nfs/dbraw/zinc/23/95/95/1283239595.db2.gz MAJBXRLGLVDJSB-ZDUSSCGKSA-N -1 1 368.375 0.310 20 5 FCBDMM C[C@@]1(CO)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590136424 1283239598 /nfs/dbraw/zinc/23/95/98/1283239598.db2.gz MAJBXRLGLVDJSB-ZDUSSCGKSA-N -1 1 368.375 0.310 20 5 FCBDMM C[C@@H]1[C@@H](CO)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590171706 1283269822 /nfs/dbraw/zinc/26/98/22/1283269822.db2.gz WYTIKMCQOACSBH-RKDXNWHRSA-N -1 1 368.375 0.166 20 5 FCBDMM C[C@@H]1[C@@H](CO)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590171706 1283269829 /nfs/dbraw/zinc/26/98/29/1283269829.db2.gz WYTIKMCQOACSBH-RKDXNWHRSA-N -1 1 368.375 0.166 20 5 FCBDMM C[C@@H]1CCOCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590277099 1283404707 /nfs/dbraw/zinc/40/47/07/1283404707.db2.gz GILPXZFNEVDFIA-SECBINFHSA-N -1 1 368.375 0.574 20 5 FCBDMM C[C@@H]1CCOCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590277099 1283404710 /nfs/dbraw/zinc/40/47/10/1283404710.db2.gz GILPXZFNEVDFIA-SECBINFHSA-N -1 1 368.375 0.574 20 5 FCBDMM C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CCCO1 ZINC001590307536 1283448528 /nfs/dbraw/zinc/44/85/28/1283448528.db2.gz BUAGTUJIUFSCFL-SECBINFHSA-N -1 1 368.375 0.574 20 5 FCBDMM C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CCCO1 ZINC001590307536 1283448536 /nfs/dbraw/zinc/44/85/36/1283448536.db2.gz BUAGTUJIUFSCFL-SECBINFHSA-N -1 1 368.375 0.574 20 5 FCBDMM C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CC[C@H]1O ZINC001590310077 1283455639 /nfs/dbraw/zinc/45/56/39/1283455639.db2.gz OJMNUAIXQMLJAA-GZMMTYOYSA-N -1 1 368.375 0.166 20 5 FCBDMM C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CC[C@H]1O ZINC001590310077 1283455643 /nfs/dbraw/zinc/45/56/43/1283455643.db2.gz OJMNUAIXQMLJAA-GZMMTYOYSA-N -1 1 368.375 0.166 20 5 FCBDMM C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC001590318295 1283462079 /nfs/dbraw/zinc/46/20/79/1283462079.db2.gz RVVJRXMMLQZINX-SNVBAGLBSA-N -1 1 361.362 0.944 20 5 FCBDMM C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC001590318295 1283462083 /nfs/dbraw/zinc/46/20/83/1283462083.db2.gz RVVJRXMMLQZINX-SNVBAGLBSA-N -1 1 361.362 0.944 20 5 FCBDMM CCC[C@H](O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590561070 1283606632 /nfs/dbraw/zinc/60/66/32/1283606632.db2.gz UNABWYOQGVVGJI-JTQLQIEISA-N -1 1 370.391 0.604 20 5 FCBDMM CCC[C@H](O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590561070 1283606647 /nfs/dbraw/zinc/60/66/47/1283606647.db2.gz UNABWYOQGVVGJI-JTQLQIEISA-N -1 1 370.391 0.604 20 5 FCBDMM CCCN1CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1=O ZINC001590636185 1283673373 /nfs/dbraw/zinc/67/33/73/1283673373.db2.gz YJETYANFJURXBY-UHFFFAOYSA-N -1 1 360.378 0.806 20 5 FCBDMM CCCN1CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1=O ZINC001590636185 1283673389 /nfs/dbraw/zinc/67/33/89/1283673389.db2.gz YJETYANFJURXBY-UHFFFAOYSA-N -1 1 360.378 0.806 20 5 FCBDMM CCOC(=O)[C@@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC12COC2 ZINC001590760209 1283821251 /nfs/dbraw/zinc/82/12/51/1283821251.db2.gz QBADUSQUGYAPOS-LBPRGKRZSA-N -1 1 374.357 0.791 20 5 FCBDMM CCOC1(C)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC001590784353 1283841057 /nfs/dbraw/zinc/84/10/57/1283841057.db2.gz RWBOFNVVBYCXIS-UHFFFAOYSA-N -1 1 368.375 0.574 20 5 FCBDMM CCOc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c([N+](=O)[O-])c1 ZINC001590838366 1283914952 /nfs/dbraw/zinc/91/49/52/1283914952.db2.gz NUYDEMORNVTLLP-UHFFFAOYSA-N -1 1 359.306 0.404 20 5 FCBDMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCOc2ccccc2[N+](=O)[O-])c1=O ZINC001590950131 1283997114 /nfs/dbraw/zinc/99/71/14/1283997114.db2.gz SAWIOZCIYPBBBE-UHFFFAOYSA-N -1 1 373.329 0.197 20 5 FCBDMM COC(=O)[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[C@H]1CCOC1 ZINC001591232576 1284374790 /nfs/dbraw/zinc/37/47/90/1284374790.db2.gz LJIGZCJDLQLJJK-WPRPVWTQSA-N -1 1 363.334 0.408 20 5 FCBDMM COC(=O)[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[C@H]1CCOC1 ZINC001591232576 1284374797 /nfs/dbraw/zinc/37/47/97/1284374797.db2.gz LJIGZCJDLQLJJK-WPRPVWTQSA-N -1 1 363.334 0.408 20 5 FCBDMM COC1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CCC1 ZINC001591342922 1284478273 /nfs/dbraw/zinc/47/82/73/1284478273.db2.gz UAFVKVADUITONF-UHFFFAOYSA-N -1 1 368.375 0.622 20 5 FCBDMM COC1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CCC1 ZINC001591342922 1284478282 /nfs/dbraw/zinc/47/82/82/1284478282.db2.gz UAFVKVADUITONF-UHFFFAOYSA-N -1 1 368.375 0.622 20 5 FCBDMM CO[C@H]1CC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591356194 1284490098 /nfs/dbraw/zinc/49/00/98/1284490098.db2.gz XNPXFSKLXWGTBT-MNOVXSKESA-N -1 1 368.375 0.573 20 5 FCBDMM CO[C@H]1CC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591356194 1284490104 /nfs/dbraw/zinc/49/01/04/1284490104.db2.gz XNPXFSKLXWGTBT-MNOVXSKESA-N -1 1 368.375 0.573 20 5 FCBDMM CS(=O)(=O)[C@@H]1CCCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001591674244 1284806925 /nfs/dbraw/zinc/80/69/25/1284806925.db2.gz SGSOINNULCEPLP-SECBINFHSA-N -1 1 367.391 0.573 20 5 FCBDMM CS(=O)(=O)[C@@H]1CCCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001591674244 1284806936 /nfs/dbraw/zinc/80/69/36/1284806936.db2.gz SGSOINNULCEPLP-SECBINFHSA-N -1 1 367.391 0.573 20 5 FCBDMM Cc1c(-c2nn[n-]n2)c(=O)n(/C=C/c2ccc([N+](=O)[O-])o2)c(=O)n1C1CC1 ZINC001591795004 1284909668 /nfs/dbraw/zinc/90/96/68/1284909668.db2.gz UUHYYVZMUSNGSF-VOTSOKGWSA-N -1 1 371.313 0.963 20 5 FCBDMM Cc1cc(N2CCS(=O)(=O)C[C@@H](C)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592008943 1285057603 /nfs/dbraw/zinc/05/76/03/1285057603.db2.gz OMEKRHUNIMNSHB-VIFPVBQESA-N -1 1 366.403 0.954 20 5 FCBDMM Cc1cc(N2CCS(=O)(=O)C[C@@H](C)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592008943 1285057612 /nfs/dbraw/zinc/05/76/12/1285057612.db2.gz OMEKRHUNIMNSHB-VIFPVBQESA-N -1 1 366.403 0.954 20 5 FCBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001592198313 1285179880 /nfs/dbraw/zinc/17/98/80/1285179880.db2.gz ZGTBIUUMTOJJBK-UHFFFAOYSA-N -1 1 355.314 0.884 20 5 FCBDMM NC(=O)CC[C@@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001592726180 1285635459 /nfs/dbraw/zinc/63/54/59/1285635459.db2.gz WVICSSCCDWRBTL-VIFPVBQESA-N -1 1 360.378 0.839 20 5 FCBDMM NC(=O)CC[C@@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001592726180 1285635473 /nfs/dbraw/zinc/63/54/73/1285635473.db2.gz WVICSSCCDWRBTL-VIFPVBQESA-N -1 1 360.378 0.839 20 5 FCBDMM NS(=O)(=O)C1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001592746775 1285667707 /nfs/dbraw/zinc/66/77/07/1285667707.db2.gz FRDKQLWBUIHKOT-UHFFFAOYSA-N -1 1 353.364 0.032 20 5 FCBDMM NS(=O)(=O)C1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001592746775 1285667709 /nfs/dbraw/zinc/66/77/09/1285667709.db2.gz FRDKQLWBUIHKOT-UHFFFAOYSA-N -1 1 353.364 0.032 20 5 FCBDMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21)NCC1CC1 ZINC001592936429 1285824351 /nfs/dbraw/zinc/82/43/51/1285824351.db2.gz LVHNLHWPHHQUBP-UHFFFAOYSA-N -1 1 369.341 0.616 20 5 FCBDMM CN(Cc1ccc(C(N)=O)cc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609278540 1289042308 /nfs/dbraw/zinc/04/23/08/1289042308.db2.gz PHWTXKFIRLKFRM-UHFFFAOYSA-N -1 1 354.330 0.905 20 5 FCBDMM CN(Cc1ccc(C(N)=O)cc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609278540 1289042310 /nfs/dbraw/zinc/04/23/10/1289042310.db2.gz PHWTXKFIRLKFRM-UHFFFAOYSA-N -1 1 354.330 0.905 20 5 FCBDMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001593111991 1286010318 /nfs/dbraw/zinc/01/03/18/1286010318.db2.gz KMXNGPNRXQWBIW-UHFFFAOYSA-N -1 1 363.725 0.450 20 5 FCBDMM O=C1[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CN1c1ccccc1 ZINC001593378434 1286098133 /nfs/dbraw/zinc/09/81/33/1286098133.db2.gz NHBDVRAJGQHNPJ-NSHDSACASA-N -1 1 352.314 0.997 20 5 FCBDMM O=C1[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CN1c1ccccc1 ZINC001593378434 1286098138 /nfs/dbraw/zinc/09/81/38/1286098138.db2.gz NHBDVRAJGQHNPJ-NSHDSACASA-N -1 1 352.314 0.997 20 5 FCBDMM O=C1NC(=O)[C@@]2(CCCN(c3cc(-c4nnn[n-]4)sc3[N+](=O)[O-])C2)N1 ZINC001593401475 1286123212 /nfs/dbraw/zinc/12/32/12/1286123212.db2.gz LVAPAKLCPITWBZ-LBPRGKRZSA-N -1 1 364.347 0.015 20 5 FCBDMM O=C1NC(=O)[C@@]2(CCCN(c3cc(-c4nn[n-]n4)sc3[N+](=O)[O-])C2)N1 ZINC001593401475 1286123219 /nfs/dbraw/zinc/12/32/19/1286123219.db2.gz LVAPAKLCPITWBZ-LBPRGKRZSA-N -1 1 364.347 0.015 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCn3ccnc32)c1-c1nn[n-]n1 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ZAFRPYXYZQOBRP-UHFFFAOYSA-N -1 1 357.334 0.873 20 5 FCBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2ccccc2[N+](=O)[O-])n1 ZINC000822620611 606162917 /nfs/dbraw/zinc/16/29/17/606162917.db2.gz ZAFRPYXYZQOBRP-UHFFFAOYSA-N -1 1 357.334 0.873 20 5 FCBDMM CS(=O)(=O)NC1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000821931374 606644907 /nfs/dbraw/zinc/64/49/07/606644907.db2.gz CRYVMJUJXVPQQE-UHFFFAOYSA-N -1 1 367.391 0.293 20 5 FCBDMM CC(C)(C)c1nnc(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1N ZINC000819971302 607027260 /nfs/dbraw/zinc/02/72/60/607027260.db2.gz HYJMWDHRAZKAAV-UHFFFAOYSA-N -1 1 362.379 0.924 20 5 FCBDMM Cc1ccc([C@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1[N+](=O)[O-] ZINC000822228980 607221422 /nfs/dbraw/zinc/22/14/22/607221422.db2.gz JXNPOHXLAFVCTR-VIFPVBQESA-N -1 1 357.334 0.552 20 5 FCBDMM Cc1cccc(Oc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1[N+](=O)[O-] ZINC000826300354 607867082 /nfs/dbraw/zinc/86/70/82/607867082.db2.gz RQHYTELZOXXHTA-UHFFFAOYSA-N -1 1 359.302 0.273 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000826499154 607988121 /nfs/dbraw/zinc/98/81/21/607988121.db2.gz XSAFAQMGKSVIQM-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000826499154 607988122 /nfs/dbraw/zinc/98/81/22/607988122.db2.gz XSAFAQMGKSVIQM-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2cc([N+](=O)[O-])ccc2Cl)c1=O ZINC000826357110 608096912 /nfs/dbraw/zinc/09/69/12/608096912.db2.gz RHJGBSQQQQTUKK-UHFFFAOYSA-N -1 1 363.721 0.337 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cn1 ZINC000826498957 608397248 /nfs/dbraw/zinc/39/72/48/608397248.db2.gz PUKXWNXRFYENAQ-UHFFFAOYSA-N -1 1 354.334 0.287 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cn1 ZINC000826498957 608397250 /nfs/dbraw/zinc/39/72/50/608397250.db2.gz PUKXWNXRFYENAQ-UHFFFAOYSA-N -1 1 354.334 0.287 20 5 FCBDMM C[C@@H]1CCOCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824966833 608424473 /nfs/dbraw/zinc/42/44/73/608424473.db2.gz FKAQYGVEGVHDKW-SECBINFHSA-N -1 1 368.375 0.574 20 5 FCBDMM CCc1nn(C)c(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000825760448 608667067 /nfs/dbraw/zinc/66/70/67/608667067.db2.gz ZYIDCKKCMDSZCR-UHFFFAOYSA-N -1 1 361.370 0.421 20 5 FCBDMM CCc1nn(C)c(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825760448 608667068 /nfs/dbraw/zinc/66/70/68/608667068.db2.gz ZYIDCKKCMDSZCR-UHFFFAOYSA-N -1 1 361.370 0.421 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1COC2(CCOCC2)O1 ZINC000826497308 609173542 /nfs/dbraw/zinc/17/35/42/609173542.db2.gz CAPVKGWYSMXJAS-SECBINFHSA-N -1 1 363.334 0.504 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1COC2(CCOCC2)O1 ZINC000826497308 609173543 /nfs/dbraw/zinc/17/35/43/609173543.db2.gz CAPVKGWYSMXJAS-SECBINFHSA-N -1 1 363.334 0.504 20 5 FCBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000920008840 667218423 /nfs/dbraw/zinc/21/84/23/667218423.db2.gz HQALVVKJHMYSMZ-PWSUYJOCSA-N -1 1 360.411 0.647 20 5 FCBDMM O=C(COc1ccc([N+](=O)[O-])cc1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773159905 668077075 /nfs/dbraw/zinc/07/70/75/668077075.db2.gz UFKLWXXWVKNMPC-NSHDSACASA-N -1 1 350.360 0.803 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2COC3(CCCC3)O2)c([N+](=O)[O-])n1 ZINC000773347153 668087994 /nfs/dbraw/zinc/08/79/94/668087994.db2.gz AAVYHNJVBXYJNR-SNVBAGLBSA-N -1 1 360.392 0.775 20 5 FCBDMM COC[C@H](C)NC(=O)NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780072689 668454400 /nfs/dbraw/zinc/45/44/00/668454400.db2.gz RXZYIOJQGSATNK-QMMMGPOBSA-N -1 1 355.303 0.318 20 5 FCBDMM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(N)=O ZINC000809828551 669642042 /nfs/dbraw/zinc/64/20/42/669642042.db2.gz NUXBUGGRLJGBDF-SSDOTTSWSA-N -1 1 372.186 0.680 20 5 FCBDMM CON(C)C(=O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000817148197 670000474 /nfs/dbraw/zinc/00/04/74/670000474.db2.gz HKCCSUUVDCVVFI-UHFFFAOYSA-N -1 1 355.731 0.685 20 5 FCBDMM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000769050508 1200263381 /nfs/dbraw/zinc/26/33/81/1200263381.db2.gz XPSJJMBCKSFKFE-JTQLQIEISA-N -1 1 365.342 0.536 20 5 FCBDMM C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1=O ZINC000790889742 1201116935 /nfs/dbraw/zinc/11/69/35/1201116935.db2.gz ICNADDCCZSJYMW-MRXNPFEDSA-N -1 1 371.309 0.807 20 5 FCBDMM Cn1[n-]cc2c(=NC(=O)C(=O)NCCc3cccc([N+](=O)[O-])c3)ccnc1-2 ZINC000806952715 1202799883 /nfs/dbraw/zinc/79/98/83/1202799883.db2.gz JBAPFFHXBVCPJN-UHFFFAOYSA-N -1 1 368.353 0.547 20 5 FCBDMM O=C(CCn1cc[n-]c(=O)c1=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000809225575 1202920715 /nfs/dbraw/zinc/92/07/15/1202920715.db2.gz BFJWWUVWHXKODX-UHFFFAOYSA-N -1 1 371.353 0.675 20 5 FCBDMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000116762389 1214220635 /nfs/dbraw/zinc/22/06/35/1214220635.db2.gz LZJZNLHTRMPLIG-UHFFFAOYSA-N -1 1 373.369 0.184 20 5 FCBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](CC(=O)OC)C(=O)OC ZINC001226308694 1225839929 /nfs/dbraw/zinc/83/99/29/1225839929.db2.gz YNJONRCVKFZKFF-QMMMGPOBSA-N -1 1 372.286 0.356 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000748838897 1218827623 /nfs/dbraw/zinc/82/76/23/1218827623.db2.gz ZRFYFAATRLYTNP-CQSZACIVSA-N -1 1 355.314 0.175 20 5 FCBDMM O=C(Cn1c(=O)onc1-c1ccccn1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000750948420 1220028776 /nfs/dbraw/zinc/02/87/76/1220028776.db2.gz FBMIDGBNFNHCLO-UHFFFAOYSA-N -1 1 369.293 0.763 20 5 FCBDMM Cn1[n-]cc2c(=NC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)ccnc1-2 ZINC000798235143 1221282245 /nfs/dbraw/zinc/28/22/45/1221282245.db2.gz WKULVXBVCNXERJ-UHFFFAOYSA-N -1 1 368.309 0.797 20 5 FCBDMM CC1(C)COCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001603791764 1287498550 /nfs/dbraw/zinc/49/85/50/1287498550.db2.gz SKCASRWIDRVRGE-UHFFFAOYSA-N -1 1 354.348 0.532 20 5 FCBDMM C[C@H]1C(=O)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001603829946 1287510139 /nfs/dbraw/zinc/51/01/39/1287510139.db2.gz DDDRJOXRYIPHIF-QMMMGPOBSA-N -1 1 366.359 0.517 20 5 FCBDMM C[C@H]1C(=O)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001603829946 1287510141 /nfs/dbraw/zinc/51/01/41/1287510141.db2.gz DDDRJOXRYIPHIF-QMMMGPOBSA-N -1 1 366.359 0.517 20 5 FCBDMM C[C@@H]1CSC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001603946407 1287542811 /nfs/dbraw/zinc/54/28/11/1287542811.db2.gz CVSCAXWPTPMBMX-HTQZYQBOSA-N -1 1 370.416 0.805 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)NCc2ccco2)c1 ZINC001582803522 1282027778 /nfs/dbraw/zinc/02/77/78/1282027778.db2.gz KOSYEFWLPAIDCQ-UHFFFAOYSA-N -1 1 350.316 0.846 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)NCc2ccco2)c1 ZINC001582803522 1282027788 /nfs/dbraw/zinc/02/77/88/1282027788.db2.gz KOSYEFWLPAIDCQ-UHFFFAOYSA-N -1 1 350.316 0.846 20 5 FCBDMM C[C@@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)n1cnc(-c2nn[n-]n2)n1 ZINC001588942075 1282736923 /nfs/dbraw/zinc/73/69/23/1282736923.db2.gz VVZWBWZGOIIVIN-JTQLQIEISA-N -1 1 371.361 0.629 20 5 FCBDMM CC(C)NS(=O)(=O)CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589728109 1282967294 /nfs/dbraw/zinc/96/72/94/1282967294.db2.gz ZFJNPFOJTIACHJ-UHFFFAOYSA-N -1 1 355.380 0.515 20 5 FCBDMM CC(C)NS(=O)(=O)CCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589728109 1282967303 /nfs/dbraw/zinc/96/73/03/1282967303.db2.gz ZFJNPFOJTIACHJ-UHFFFAOYSA-N -1 1 355.380 0.515 20 5 FCBDMM CC(C)[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001589762872 1282984870 /nfs/dbraw/zinc/98/48/70/1282984870.db2.gz BXETXPRPKUQNSV-SNVBAGLBSA-N -1 1 356.364 0.070 20 5 FCBDMM CC(C)[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001589762872 1282984877 /nfs/dbraw/zinc/98/48/77/1282984877.db2.gz BXETXPRPKUQNSV-SNVBAGLBSA-N -1 1 356.364 0.070 20 5 FCBDMM C[C@@H](CCO)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001589833908 1283072324 /nfs/dbraw/zinc/07/23/24/1283072324.db2.gz HWYAASUXCGYRMK-SECBINFHSA-N -1 1 370.391 0.462 20 5 FCBDMM C[C@H]1C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCS1(=O)=O ZINC001590212845 1283341822 /nfs/dbraw/zinc/34/18/22/1283341822.db2.gz UIZPECOOPLGBBU-YUMQZZPRSA-N -1 1 353.364 0.548 20 5 FCBDMM C[C@H]1C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCS1(=O)=O ZINC001590212845 1283341830 /nfs/dbraw/zinc/34/18/30/1283341830.db2.gz UIZPECOOPLGBBU-YUMQZZPRSA-N -1 1 353.364 0.548 20 5 FCBDMM C[C@@H]1CSC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590330012 1283472849 /nfs/dbraw/zinc/47/28/49/1283472849.db2.gz UUNSZPVSPLOEKZ-GMSGAONNSA-N -1 1 370.416 0.805 20 5 FCBDMM C[C@@H]1CSC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590330012 1283472858 /nfs/dbraw/zinc/47/28/58/1283472858.db2.gz UUNSZPVSPLOEKZ-GMSGAONNSA-N -1 1 370.416 0.805 20 5 FCBDMM CCC[C@@H](CCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001590557272 1283602734 /nfs/dbraw/zinc/60/27/34/1283602734.db2.gz MENPGYQIPBSCDL-VIFPVBQESA-N -1 1 370.391 0.604 20 5 FCBDMM CCOC(=O)[C@]1(C)CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001590755030 1283812714 /nfs/dbraw/zinc/81/27/14/1283812714.db2.gz CALCNCTWHCQLDN-ZDUSSCGKSA-N -1 1 368.375 0.995 20 5 FCBDMM CCOC(=O)[C@]1(C)CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001590755030 1283812723 /nfs/dbraw/zinc/81/27/23/1283812723.db2.gz CALCNCTWHCQLDN-ZDUSSCGKSA-N -1 1 368.375 0.995 20 5 FCBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590842190 1283914240 /nfs/dbraw/zinc/91/42/40/1283914240.db2.gz UIVIQJIVLPTUSQ-UHFFFAOYSA-N -1 1 373.333 0.195 20 5 FCBDMM CCS(=O)(=O)NCCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590847524 1283925618 /nfs/dbraw/zinc/92/56/18/1283925618.db2.gz VAQSENJJDWKSCL-UHFFFAOYSA-N -1 1 355.380 0.516 20 5 FCBDMM CN(C)C(=O)OCn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001591004984 1284068878 /nfs/dbraw/zinc/06/88/78/1284068878.db2.gz XCTCATCESMMKOE-UHFFFAOYSA-N -1 1 359.302 0.746 20 5 FCBDMM COC(=O)[C@]1(OC)CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001591247011 1284398057 /nfs/dbraw/zinc/39/80/57/1284398057.db2.gz XJEIILOJECGZAZ-LBPRGKRZSA-N -1 1 354.348 0.605 20 5 FCBDMM COC(=O)[C@]1(OC)CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001591247011 1284398062 /nfs/dbraw/zinc/39/80/62/1284398062.db2.gz XJEIILOJECGZAZ-LBPRGKRZSA-N -1 1 354.348 0.605 20 5 FCBDMM COC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1)C1CC1 ZINC001591383181 1284521944 /nfs/dbraw/zinc/52/19/44/1284521944.db2.gz XVRWQSWFLMMFBJ-NSHDSACASA-N -1 1 368.375 0.478 20 5 FCBDMM COC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1)C1CC1 ZINC001591383181 1284521946 /nfs/dbraw/zinc/52/19/46/1284521946.db2.gz XVRWQSWFLMMFBJ-NSHDSACASA-N -1 1 368.375 0.478 20 5 FCBDMM COCCOCCN(CCO)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591439188 1284593259 /nfs/dbraw/zinc/59/32/59/1284593259.db2.gz RCTQJAAAXWVCBL-UHFFFAOYSA-N -1 1 358.380 0.298 20 5 FCBDMM COCCOCCN(CCO)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591439188 1284593264 /nfs/dbraw/zinc/59/32/64/1284593264.db2.gz RCTQJAAAXWVCBL-UHFFFAOYSA-N -1 1 358.380 0.298 20 5 FCBDMM CO[C@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C1 ZINC001591475335 1284652705 /nfs/dbraw/zinc/65/27/05/1284652705.db2.gz ZNNAAKWJHFNZTO-XWEPSHTISA-N -1 1 354.348 0.231 20 5 FCBDMM CO[C@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)C1 ZINC001591475335 1284652714 /nfs/dbraw/zinc/65/27/14/1284652714.db2.gz ZNNAAKWJHFNZTO-XWEPSHTISA-N -1 1 354.348 0.231 20 5 FCBDMM COc1cc(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)cc([N+](=O)[O-])c1C ZINC001591514217 1284705109 /nfs/dbraw/zinc/70/51/09/1284705109.db2.gz DXZVDQQZDOPUHM-UHFFFAOYSA-N -1 1 373.333 0.113 20 5 FCBDMM CS(=O)(=O)NC1CC(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001591678655 1284816757 /nfs/dbraw/zinc/81/67/57/1284816757.db2.gz IHQPLLJRSYBHNQ-UHFFFAOYSA-N -1 1 353.364 0.267 20 5 FCBDMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc([N+](=O)[O-])cc1 ZINC001591729744 1284861578 /nfs/dbraw/zinc/86/15/78/1284861578.db2.gz IAJQDSZZOZTSTF-MRVPVSSYSA-N -1 1 372.345 0.345 20 5 FCBDMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 ZINC001591888862 1284980607 /nfs/dbraw/zinc/98/06/07/1284980607.db2.gz SGWSXPQXQSLFLV-UHFFFAOYSA-N -1 1 368.361 0.595 20 5 FCBDMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 ZINC001591888862 1284980616 /nfs/dbraw/zinc/98/06/16/1284980616.db2.gz SGWSXPQXQSLFLV-UHFFFAOYSA-N -1 1 368.361 0.595 20 5 FCBDMM Cc1cc(N2CC[C@H](NS(C)(=O)=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592005268 1285054733 /nfs/dbraw/zinc/05/47/33/1285054733.db2.gz ZZIBEPLSFSBPPJ-VIFPVBQESA-N -1 1 367.391 0.211 20 5 FCBDMM Cc1cc(N2CC[C@H](NS(C)(=O)=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592005268 1285054740 /nfs/dbraw/zinc/05/47/40/1285054740.db2.gz ZZIBEPLSFSBPPJ-VIFPVBQESA-N -1 1 367.391 0.211 20 5 FCBDMM Cc1cc([N+](=O)[O-])c(F)c(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1F ZINC001592068586 1285107561 /nfs/dbraw/zinc/10/75/61/1285107561.db2.gz MZZVNTGYCXWEOZ-UHFFFAOYSA-N -1 1 350.245 0.829 20 5 FCBDMM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001592199300 1285179631 /nfs/dbraw/zinc/17/96/31/1285179631.db2.gz RANMUPVNQODFTE-UHFFFAOYSA-N -1 1 357.334 0.413 20 5 FCBDMM Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001592412917 1285327724 /nfs/dbraw/zinc/32/77/24/1285327724.db2.gz MOXQUXOIKWJSKT-UHFFFAOYSA-N -1 1 369.345 0.654 20 5 FCBDMM Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001592412917 1285327729 /nfs/dbraw/zinc/32/77/29/1285327729.db2.gz MOXQUXOIKWJSKT-UHFFFAOYSA-N -1 1 369.345 0.654 20 5 FCBDMM Cn1nccc1C1(O)CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001592604357 1285542041 /nfs/dbraw/zinc/54/20/41/1285542041.db2.gz XMGMKVGPADOUPU-UHFFFAOYSA-N -1 1 371.361 0.391 20 5 FCBDMM Cn1nccc1C1(O)CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001592604357 1285542051 /nfs/dbraw/zinc/54/20/51/1285542051.db2.gz XMGMKVGPADOUPU-UHFFFAOYSA-N -1 1 371.361 0.391 20 5 FCBDMM NC(=O)C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC001592724036 1285630755 /nfs/dbraw/zinc/63/07/55/1285630755.db2.gz AXGOPTVFLNAXSE-GFCCVEGCSA-N -1 1 361.362 0.857 20 5 FCBDMM Nc1cc(NC[C@@H]2CCS(=O)(=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760240 1285680933 /nfs/dbraw/zinc/68/09/33/1285680933.db2.gz UCRFZWITQBNRSC-ZETCQYMHSA-N -1 1 353.364 0.204 20 5 FCBDMM Nc1cc(NC[C@@H]2CCS(=O)(=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760240 1285680939 /nfs/dbraw/zinc/68/09/39/1285680939.db2.gz UCRFZWITQBNRSC-ZETCQYMHSA-N -1 1 353.364 0.204 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)NCC1(c2ccccc2)CC1 ZINC001592937833 1285828860 /nfs/dbraw/zinc/82/88/60/1285828860.db2.gz PQSWJVZGWHIHPC-UHFFFAOYSA-N -1 1 368.357 0.819 20 5 FCBDMM O=C(NC1CC1)N[C@H]1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001592967488 1285851767 /nfs/dbraw/zinc/85/17/67/1285851767.db2.gz PBWRGOMIFWNBIJ-QMMMGPOBSA-N -1 1 364.391 0.877 20 5 FCBDMM O=C(NC1CC1)N[C@H]1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001592967488 1285851770 /nfs/dbraw/zinc/85/17/70/1285851770.db2.gz PBWRGOMIFWNBIJ-QMMMGPOBSA-N -1 1 364.391 0.877 20 5 FCBDMM CN(c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001609281473 1289043504 /nfs/dbraw/zinc/04/35/04/1289043504.db2.gz HOZPKSAHMMPSNH-JTQLQIEISA-N -1 1 367.391 0.245 20 5 FCBDMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001593147488 1286018902 /nfs/dbraw/zinc/01/89/02/1286018902.db2.gz VURJHXPAROPSED-ZDUSSCGKSA-N -1 1 355.314 0.520 20 5 FCBDMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001593147488 1286018907 /nfs/dbraw/zinc/01/89/07/1286018907.db2.gz VURJHXPAROPSED-ZDUSSCGKSA-N -1 1 355.314 0.520 20 5 FCBDMM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(-c2nnn[n-]2)n1 ZINC001593292658 1286065734 /nfs/dbraw/zinc/06/57/34/1286065734.db2.gz HBFCQCGDRFQCMC-UHFFFAOYSA-N -1 1 357.286 0.189 20 5 FCBDMM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(-c2nn[n-]n2)n1 ZINC001593292658 1286065737 /nfs/dbraw/zinc/06/57/37/1286065737.db2.gz HBFCQCGDRFQCMC-UHFFFAOYSA-N -1 1 357.286 0.189 20 5 FCBDMM O=C1NC(=O)[C@@]2(CCC[C@@H]2CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])N1 ZINC001593401104 1286120900 /nfs/dbraw/zinc/12/09/00/1286120900.db2.gz GNYCTQCEDLGQKZ-GLEZIHRCSA-N -1 1 372.345 0.565 20 5 FCBDMM O=C1NC(=O)[C@@]2(CCC[C@@H]2CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])N1 ZINC001593401104 1286120905 /nfs/dbraw/zinc/12/09/05/1286120905.db2.gz GNYCTQCEDLGQKZ-GLEZIHRCSA-N -1 1 372.345 0.565 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cnccn2)c1-c1nn[n-]n1 ZINC001593484841 1286174981 /nfs/dbraw/zinc/17/49/81/1286174981.db2.gz HLQFSFKVSGAFEK-UHFFFAOYSA-N -1 1 362.331 0.043 20 5 FCBDMM O=[N+]([O-])c1ccnn1CN1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001593486722 1286176019 /nfs/dbraw/zinc/17/60/19/1286176019.db2.gz JBQUKTYEMZKTOF-UHFFFAOYSA-N -1 1 361.391 0.813 20 5 FCBDMM O=c1c(-c2nn[n-]n2)cncn1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001593494667 1286179256 /nfs/dbraw/zinc/17/92/56/1286179256.db2.gz OVABBFVWSWPKTR-UHFFFAOYSA-N -1 1 357.286 0.246 20 5 FCBDMM O=C([O-])[C@]1(N2CCN(c3cc(F)c([N+](=O)[O-])cc3CO)CC2)CCOC1 ZINC001601718907 1286814996 /nfs/dbraw/zinc/81/49/96/1286814996.db2.gz GUZNHBAWJZWSQL-INIZCTEOSA-N -1 1 369.349 0.592 20 5 FCBDMM C[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001603015910 1287185331 /nfs/dbraw/zinc/18/53/31/1287185331.db2.gz DESBEDMVIHINAT-VIFPVBQESA-N -1 1 372.349 0.156 20 5 FCBDMM CO[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C1 ZINC001605153788 1287896209 /nfs/dbraw/zinc/89/62/09/1287896209.db2.gz NKSSFDOTPCSGDF-AOOOYVTPSA-N -1 1 368.375 0.573 20 5 FCBDMM CO[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)C1 ZINC001605153788 1287896215 /nfs/dbraw/zinc/89/62/15/1287896215.db2.gz NKSSFDOTPCSGDF-AOOOYVTPSA-N -1 1 368.375 0.573 20 5 FCBDMM CS(=O)(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001605357577 1287936789 /nfs/dbraw/zinc/93/67/89/1287936789.db2.gz QZVHADMLODQHHA-VIFPVBQESA-N -1 1 353.364 0.221 20 5 FCBDMM O=C(CCn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)Nc1ccc2c(c1)OCO2 ZINC001606540189 1288373253 /nfs/dbraw/zinc/37/32/53/1288373253.db2.gz KHRSYASKAHCJPP-UHFFFAOYSA-N -1 1 372.301 0.729 20 5 FCBDMM O=C(NCCn1cc([N+](=O)[O-])cn1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001606802853 1288524942 /nfs/dbraw/zinc/52/49/42/1288524942.db2.gz WAZYABFOXMTGPN-UHFFFAOYSA-N -1 1 367.329 0.883 20 5 FCBDMM O=C1N[C@H]2CCN(c3cc(-c4nnn[n-]4)sc3[N+](=O)[O-])C[C@@H]2CO1 ZINC001607052204 1288622148 /nfs/dbraw/zinc/62/21/48/1288622148.db2.gz HKXUIJDLOXUSIM-RQJHMYQMSA-N -1 1 351.348 0.771 20 5 FCBDMM O=C1N[C@H]2CCN(c3cc(-c4nn[n-]n4)sc3[N+](=O)[O-])C[C@@H]2CO1 ZINC001607052204 1288622150 /nfs/dbraw/zinc/62/21/50/1288622150.db2.gz HKXUIJDLOXUSIM-RQJHMYQMSA-N -1 1 351.348 0.771 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)NC[C@H]2CCCS2)c1 ZINC001607079886 1288649941 /nfs/dbraw/zinc/64/99/41/1288649941.db2.gz NOASSWZEMGUVTN-SECBINFHSA-N -1 1 370.416 0.949 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)NC[C@H]2CCCS2)c1 ZINC001607079886 1288649943 /nfs/dbraw/zinc/64/99/43/1288649943.db2.gz NOASSWZEMGUVTN-SECBINFHSA-N -1 1 370.416 0.949 20 5 FCBDMM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C2)nc1 ZINC001607081437 1288651688 /nfs/dbraw/zinc/65/16/88/1288651688.db2.gz CNDGFOGJNCYABZ-VIFPVBQESA-N -1 1 354.334 0.651 20 5 FCBDMM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C2)nc1 ZINC001607081437 1288651692 /nfs/dbraw/zinc/65/16/92/1288651692.db2.gz CNDGFOGJNCYABZ-VIFPVBQESA-N -1 1 354.334 0.651 20 5 FCBDMM C[C@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)n1cnc(-c2nn[n-]n2)n1 ZINC001609067874 1288897441 /nfs/dbraw/zinc/89/74/41/1288897441.db2.gz APVLNDLIMYXROC-MRVPVSSYSA-N -1 1 355.318 0.470 20 5 FCBDMM O=[N+]([O-])c1cccc(OC[C@H](O)COc2cccnc2-c2nnn[n-]2)c1 ZINC001609602965 1289257748 /nfs/dbraw/zinc/25/77/48/1289257748.db2.gz RNLHHJQKTGKTTB-NSHDSACASA-N -1 1 358.314 0.989 20 5 FCBDMM O=[N+]([O-])c1cccc(OC[C@H](O)COc2cccnc2-c2nn[n-]n2)c1 ZINC001609602965 1289257752 /nfs/dbraw/zinc/25/77/52/1289257752.db2.gz RNLHHJQKTGKTTB-NSHDSACASA-N -1 1 358.314 0.989 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CCN(c3ncncc3-c3nn[n-]n3)CC2)cc1 ZINC001609601854 1289258115 /nfs/dbraw/zinc/25/81/15/1289258115.db2.gz DHTOLVBAQALEGS-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001610515227 1289499442 /nfs/dbraw/zinc/49/94/42/1289499442.db2.gz ZOMBKEFALKFVBK-LLVKDONJSA-N -1 1 364.358 0.317 20 5 FCBDMM COc1ccc(C[C@@H](C)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c([N+](=O)[O-])c1 ZINC001170307852 850650148 /nfs/dbraw/zinc/65/01/48/850650148.db2.gz JBHZOXFGJFRGBB-ZDMBXUJBSA-N -1 1 373.387 0.526 20 5 FCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H](CO)CC1CCOCC1 ZINC001320811858 868286736 /nfs/dbraw/zinc/28/67/36/868286736.db2.gz BQJBJTQUGUHQMY-LBPRGKRZSA-N -1 1 359.404 0.693 20 5 FCBDMM Cc1nn(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334451 947970583 /nfs/dbraw/zinc/97/05/83/947970583.db2.gz VQKKINYNUJJRQM-GFCCVEGCSA-N -1 1 357.330 0.682 20 5 FCBDMM Cc1n[nH]c(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1[N+](=O)[O-] ZINC000593921403 968493672 /nfs/dbraw/zinc/49/36/72/968493672.db2.gz KDEKIIQZCQFRBX-VIFPVBQESA-N -1 1 365.346 0.164 20 5 FCBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001592406120 977980799 /nfs/dbraw/zinc/98/07/99/977980799.db2.gz MLPVAZQSHGNVOG-ABAIWWIYSA-N -1 1 351.359 0.636 20 5 FCBDMM C[C@](Cn1cccn1)(NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001592926720 979951431 /nfs/dbraw/zinc/95/14/31/979951431.db2.gz XBNGXJCHEIRWNG-CYBMUJFWSA-N -1 1 372.334 0.752 20 5 FCBDMM CCO[C@@H]1C[C@@](NS(=O)(=O)c2ncccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001596843511 985534002 /nfs/dbraw/zinc/53/40/02/985534002.db2.gz SIINEXKCFXFTDH-QMTHXVAHSA-N -1 1 373.387 0.927 20 5 FCBDMM C[C@@H]1CN(CCO)[C@@H](C)CN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594537201 986158172 /nfs/dbraw/zinc/15/81/72/986158172.db2.gz GIKIKMUGCZJCSF-QWHCGFSZSA-N -1 1 367.402 0.945 20 5 FCBDMM COc1ccc(NC(=O)[C@@H](C)N[C@H]2CCO[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC001599591305 993686756 /nfs/dbraw/zinc/68/67/56/993686756.db2.gz ZPDWLDOBLXJMMS-YDEJPDAXSA-N -1 1 353.331 0.762 20 5 FCBDMM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN(CC(=O)[O-])CC1 ZINC001599622591 994104666 /nfs/dbraw/zinc/10/46/66/994104666.db2.gz UYMANMBQMSMLDW-NSHDSACASA-N -1 1 366.374 0.633 20 5 FCBDMM C[C@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1CCC(=O)[O-] ZINC001594462244 999673565 /nfs/dbraw/zinc/67/35/65/999673565.db2.gz GDFXHLXWHKNZGN-NHYWBVRUSA-N -1 1 351.359 0.636 20 5 FCBDMM COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)OC ZINC000291950638 214067569 /nfs/dbraw/zinc/06/75/69/214067569.db2.gz ODPDOAMJYMUYRJ-VIFPVBQESA-N -1 1 370.742 0.854 20 5 FCBDMM NS(=O)(=O)CCCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000292783765 214123869 /nfs/dbraw/zinc/12/38/69/214123869.db2.gz KXHJUOFVUDENSB-UHFFFAOYSA-N -1 1 355.369 0.081 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291128517 214015925 /nfs/dbraw/zinc/01/59/25/214015925.db2.gz NYYSXUMPEHYBRJ-SECBINFHSA-N -1 1 363.296 0.708 20 5 FCBDMM O=C1CNC(=O)N1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000264975830 210030582 /nfs/dbraw/zinc/03/05/82/210030582.db2.gz RYWKZIUZPOQKKP-UHFFFAOYSA-N -1 1 362.751 0.078 20 5 FCBDMM O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000369341729 216388025 /nfs/dbraw/zinc/38/80/25/216388025.db2.gz GDLFNPMCBZTIOE-CQSZACIVSA-N -1 1 364.402 0.437 20 5 FCBDMM C[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ncn(C)n1 ZINC000275715793 212078086 /nfs/dbraw/zinc/07/80/86/212078086.db2.gz VFFYWUHTRDZFJK-QMMMGPOBSA-N -1 1 369.359 0.534 20 5 FCBDMM Cc1nc(C)n(C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CCO2)n1 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369.446 0.216 20 5 FCBDMM C[C@@H](CNc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000594544957 547001821 /nfs/dbraw/zinc/00/18/21/547001821.db2.gz BGYRIXPQJLTOCS-JTQLQIEISA-N -1 1 374.419 0.567 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]CCN2C[C@H](C)OC[C@H]2C)c([N+](=O)[O-])n1 ZINC000594816716 547013241 /nfs/dbraw/zinc/01/32/41/547013241.db2.gz JTJNAFGQAGIONO-MNOVXSKESA-N -1 1 361.424 0.199 20 5 FCBDMM COCc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000594826430 547014564 /nfs/dbraw/zinc/01/45/64/547014564.db2.gz ACFKCCHAVCQHSJ-UHFFFAOYSA-N -1 1 361.767 0.991 20 5 FCBDMM COCc1n[nH]c(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000594828670 547015320 /nfs/dbraw/zinc/01/53/20/547015320.db2.gz UPLXLMARFZEYNE-UHFFFAOYSA-N -1 1 361.767 0.991 20 5 FCBDMM NS(=O)(=O)CC1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000826394459 607452499 /nfs/dbraw/zinc/45/24/99/607452499.db2.gz KTKYUKPMLHAPNU-UHFFFAOYSA-N -1 1 367.391 0.280 20 5 FCBDMM NS(=O)(=O)CC1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000826394459 607452501 /nfs/dbraw/zinc/45/25/01/607452501.db2.gz KTKYUKPMLHAPNU-UHFFFAOYSA-N -1 1 367.391 0.280 20 5 FCBDMM CCS(=O)(=O)N(C)CCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821442426 607496133 /nfs/dbraw/zinc/49/61/33/607496133.db2.gz SDOBDADDHOSYGZ-UHFFFAOYSA-N -1 1 369.407 0.858 20 5 FCBDMM O=[N+]([O-])c1cc(NCCN2CCCS2(=O)=O)ccc1-c1nn[n-]n1 ZINC000823634216 607497245 /nfs/dbraw/zinc/49/72/45/607497245.db2.gz DMTJFATXVHOKCS-UHFFFAOYSA-N -1 1 353.364 0.222 20 5 FCBDMM CN1CCO[C@H]2CN(c3c(C(=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]21 ZINC000830965299 602137678 /nfs/dbraw/zinc/13/76/78/602137678.db2.gz QDFQYQODIHDQOX-NEPJUHHUSA-N -1 1 352.303 0.720 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccoc2)c1-c1nn[n-]n1 ZINC000826500364 607598310 /nfs/dbraw/zinc/59/83/10/607598310.db2.gz VTNVDPLMCKWDQY-UHFFFAOYSA-N -1 1 350.316 0.846 20 5 FCBDMM CCCCOCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825290674 607598823 /nfs/dbraw/zinc/59/88/23/607598823.db2.gz DQZWGAGIBVHGIW-UHFFFAOYSA-N -1 1 370.391 0.870 20 5 FCBDMM COCC[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826154448 607603341 /nfs/dbraw/zinc/60/33/41/607603341.db2.gz PREXBPMOKCNAFV-MRVPVSSYSA-N -1 1 356.364 0.478 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2O)c1-c1nn[n-]n1 ZINC000826500002 607624587 /nfs/dbraw/zinc/62/45/87/607624587.db2.gz HQTKMEZTDXZUAJ-SCZZXKLOSA-N -1 1 368.375 0.357 20 5 FCBDMM C[C@](O)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1CC1 ZINC000824670646 607636724 /nfs/dbraw/zinc/63/67/24/607636724.db2.gz SUSLOQDOFBRRCG-ZDUSSCGKSA-N -1 1 368.375 0.214 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H](CCO)C2)c1-c1nn[n-]n1 ZINC000826500427 607677950 /nfs/dbraw/zinc/67/79/50/607677950.db2.gz YGGXRZMECAXXKQ-SECBINFHSA-N -1 1 368.375 0.168 20 5 FCBDMM CC1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCOCC1 ZINC000824837630 607746879 /nfs/dbraw/zinc/74/68/79/607746879.db2.gz HWAWBPGZPYNHLV-UHFFFAOYSA-N -1 1 368.375 0.622 20 5 FCBDMM C[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCN1CCC(=O)[O-] ZINC000833620309 605473223 /nfs/dbraw/zinc/47/32/23/605473223.db2.gz GQSPVXAAGQHENU-SNVBAGLBSA-N -1 1 365.342 0.945 20 5 FCBDMM Cc1cc(C(=O)NCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000822168754 606532314 /nfs/dbraw/zinc/53/23/14/606532314.db2.gz QUDZXSADUUJMSJ-UHFFFAOYSA-N -1 1 371.317 0.175 20 5 FCBDMM Cc1cc(C(=O)NCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000822168754 606532315 /nfs/dbraw/zinc/53/23/15/606532315.db2.gz QUDZXSADUUJMSJ-UHFFFAOYSA-N -1 1 371.317 0.175 20 5 FCBDMM CN(Cc1nnc2ccccn21)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821618036 606704711 /nfs/dbraw/zinc/70/47/11/606704711.db2.gz NKERFNOZBKFEQB-UHFFFAOYSA-N -1 1 352.318 0.849 20 5 FCBDMM CN(Cc1nnc2ccccn21)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821618036 606704712 /nfs/dbraw/zinc/70/47/12/606704712.db2.gz NKERFNOZBKFEQB-UHFFFAOYSA-N -1 1 352.318 0.849 20 5 FCBDMM Nn1c(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)nnc1-c1ccco1 ZINC000822912123 607028457 /nfs/dbraw/zinc/02/84/57/607028457.db2.gz NMLWOEHOURLDCH-UHFFFAOYSA-N -1 1 372.330 0.886 20 5 FCBDMM CCN(CC(C)(C)O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825399185 608111042 /nfs/dbraw/zinc/11/10/42/608111042.db2.gz LYEYBBLLBKQVPB-UHFFFAOYSA-N -1 1 370.391 0.556 20 5 FCBDMM COC(=O)C1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCOCC1 ZINC000826123291 609387632 /nfs/dbraw/zinc/38/76/32/609387632.db2.gz BCUWEJPLNUFPPN-UHFFFAOYSA-N -1 1 363.334 0.552 20 5 FCBDMM COC(=O)C1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCOCC1 ZINC000826123291 609387634 /nfs/dbraw/zinc/38/76/34/609387634.db2.gz BCUWEJPLNUFPPN-UHFFFAOYSA-N -1 1 363.334 0.552 20 5 FCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](CO)C[C@H](O)c1ccccc1 ZINC000754056165 667581519 /nfs/dbraw/zinc/58/15/19/667581519.db2.gz OXPFOTICMXHFDC-STQMWFEESA-N -1 1 367.383 0.753 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]CCNC(=O)c2ccco2)c([N+](=O)[O-])n1 ZINC000754791078 667610771 /nfs/dbraw/zinc/61/07/71/667610771.db2.gz FMUAXMSXIVZMDI-UHFFFAOYSA-N -1 1 357.348 0.113 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@]2(O)CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000754811241 667611797 /nfs/dbraw/zinc/61/17/97/667611797.db2.gz YJWNYHNNMITXSK-HNNXBMFYSA-N -1 1 366.399 0.924 20 5 FCBDMM Cn1[n-]c(COC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1=O ZINC000765516528 668008873 /nfs/dbraw/zinc/00/88/73/668008873.db2.gz SXWJDUVJOGVPKE-UHFFFAOYSA-N -1 1 351.275 0.601 20 5 FCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1CCN(c2ncccn2)CC1 ZINC000742277666 668031434 /nfs/dbraw/zinc/03/14/34/668031434.db2.gz PXYXIUFSZXYGAB-UHFFFAOYSA-N -1 1 364.387 0.727 20 5 FCBDMM CC(C)(C)NC(=O)CNC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074040 668454264 /nfs/dbraw/zinc/45/42/64/668454264.db2.gz BHTOMAITNSVAGR-UHFFFAOYSA-N -1 1 353.331 0.488 20 5 FCBDMM CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)c1 ZINC000798144867 669212175 /nfs/dbraw/zinc/21/21/75/669212175.db2.gz DCXFLMVRIDNUKZ-UHFFFAOYSA-N -1 1 364.387 0.954 20 5 FCBDMM O=C(NCc1nn[n-]n1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000810366778 669674548 /nfs/dbraw/zinc/67/45/48/669674548.db2.gz BKFIDIGGBQYLDT-UHFFFAOYSA-N -1 1 370.123 0.125 20 5 FCBDMM COc1ccc(OCCCS(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000851148547 671430271 /nfs/dbraw/zinc/43/02/71/671430271.db2.gz BOSREQWMGUMUAI-CHWSQXEVSA-N -1 1 358.372 0.575 20 5 FCBDMM CSCC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(N)=O ZINC000859296700 671811545 /nfs/dbraw/zinc/81/15/45/671811545.db2.gz NISQQMZQQNCQSP-QMMMGPOBSA-N -1 1 351.381 0.619 20 5 FCBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2cccc(CCC(=O)[O-])c2)n1 ZINC000863418834 672124496 /nfs/dbraw/zinc/12/44/96/672124496.db2.gz HJLGRPWWMXECGI-UHFFFAOYSA-N -1 1 368.371 0.824 20 5 FCBDMM O=Cc1ccc(OCC(=O)NC2(c3nn[n-]n3)CCCC2)c([N+](=O)[O-])c1 ZINC000736162756 1197921503 /nfs/dbraw/zinc/92/15/03/1197921503.db2.gz SLBLIJPIQGHYOQ-UHFFFAOYSA-N -1 1 360.330 0.885 20 5 FCBDMM Cc1cc([N+](=O)[O-])cn(CC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)c1=O ZINC000768461213 1200157707 /nfs/dbraw/zinc/15/77/07/1200157707.db2.gz GZWNFSAUBUUIQE-UHFFFAOYSA-N -1 1 360.282 0.930 20 5 FCBDMM O=C(COC(=O)c1cn[n-]n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000805606329 1201572178 /nfs/dbraw/zinc/57/21/78/1201572178.db2.gz WDSZCYSOYAHQLI-UHFFFAOYSA-N -1 1 360.330 0.219 20 5 FCBDMM CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806853193 1202783938 /nfs/dbraw/zinc/78/39/38/1202783938.db2.gz IQTMJWFDWNFQRW-UHFFFAOYSA-N -1 1 368.353 0.847 20 5 FCBDMM CCC1(NC(=O)c2[nH]nc(C)c2[O-])CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069368064 1216785397 /nfs/dbraw/zinc/78/53/97/1216785397.db2.gz JZGHKHCTLJQIAW-GHMZBOCLSA-N -1 1 365.390 0.590 20 5 FCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000837213021 1222639997 /nfs/dbraw/zinc/63/99/97/1222639997.db2.gz QFDKRRJHVXWYHA-UHFFFAOYSA-N -1 1 374.313 0.961 20 5 FCBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1COCC12OCCO2 ZINC000837993584 1222666319 /nfs/dbraw/zinc/66/63/19/1222666319.db2.gz PMUGGLDGVKUIAL-LBPRGKRZSA-N -1 1 367.358 0.841 20 5 FCBDMM Cn1c(Cc2nnn[n-]2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001518234881 1265654137 /nfs/dbraw/zinc/65/41/37/1265654137.db2.gz UKSVHYDFDCRJFN-UHFFFAOYSA-N -1 1 370.377 0.154 20 5 FCBDMM Cn1c(Cc2nn[n-]n2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001518234881 1265654147 /nfs/dbraw/zinc/65/41/47/1265654147.db2.gz UKSVHYDFDCRJFN-UHFFFAOYSA-N -1 1 370.377 0.154 20 5 FCBDMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC001580344449 1278139586 /nfs/dbraw/zinc/13/95/86/1278139586.db2.gz BNJIRNRPXYQKGW-SSDOTTSWSA-N -1 1 373.420 0.307 20 5 FCBDMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC001580344449 1278139590 /nfs/dbraw/zinc/13/95/90/1278139590.db2.gz BNJIRNRPXYQKGW-SSDOTTSWSA-N -1 1 373.420 0.307 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC23CCC3)c1-c1nn[n-]n1 ZINC001582804458 1282030534 /nfs/dbraw/zinc/03/05/34/1282030534.db2.gz DJSYNUGSTAZMIC-JTQLQIEISA-N -1 1 350.360 0.996 20 5 FCBDMM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001588770198 1282699215 /nfs/dbraw/zinc/69/92/15/1282699215.db2.gz JCCHUVFCBZMTRR-CSKARUKUSA-N -1 1 369.345 0.586 20 5 FCBDMM CC(=O)Nc1ccc(C(=O)Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)cc1 ZINC001588874698 1282720918 /nfs/dbraw/zinc/72/09/18/1282720918.db2.gz UKQHUVQVQVZFNW-UHFFFAOYSA-N -1 1 356.302 0.813 20 5 FCBDMM C[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])n1cnc(-c2nn[n-]n2)n1 ZINC001588963006 1282746330 /nfs/dbraw/zinc/74/63/30/1282746330.db2.gz QQOSCRCLWVIIIM-QMMMGPOBSA-N -1 1 355.318 0.517 20 5 FCBDMM CCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CC1 ZINC001604345593 1287609501 /nfs/dbraw/zinc/60/95/01/1287609501.db2.gz UCNYIYPJGJRGFL-UHFFFAOYSA-N -1 1 367.391 0.101 20 5 FCBDMM CCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CC1 ZINC001604345593 1287609505 /nfs/dbraw/zinc/60/95/05/1287609505.db2.gz UCNYIYPJGJRGFL-UHFFFAOYSA-N -1 1 367.391 0.101 20 5 FCBDMM C[C@H](O)CN(C)c1cc(-c2nnn[n-]2)c([N+](=O)[O-])c(N(C)C[C@H](C)O)c1 ZINC001590000690 1283168804 /nfs/dbraw/zinc/16/88/04/1283168804.db2.gz PERWETJQMJVRSA-UWVGGRQHSA-N -1 1 365.394 0.409 20 5 FCBDMM C[C@H](O)CN(C)c1cc(-c2nn[n-]n2)c([N+](=O)[O-])c(N(C)C[C@H](C)O)c1 ZINC001590000690 1283168810 /nfs/dbraw/zinc/16/88/10/1283168810.db2.gz PERWETJQMJVRSA-UWVGGRQHSA-N -1 1 365.394 0.409 20 5 FCBDMM C[C@]12CN(c3cc(-c4nnn[n-]4)sc3[N+](=O)[O-])C[C@]1(C)C(=O)NC2=O ZINC001590155360 1283249958 /nfs/dbraw/zinc/24/99/58/1283249958.db2.gz IHMUQHGXEDUPPD-CHWSQXEVSA-N -1 1 363.359 0.325 20 5 FCBDMM C[C@]12CN(c3cc(-c4nn[n-]n4)sc3[N+](=O)[O-])C[C@]1(C)C(=O)NC2=O ZINC001590155360 1283249967 /nfs/dbraw/zinc/24/99/67/1283249967.db2.gz IHMUQHGXEDUPPD-CHWSQXEVSA-N -1 1 363.359 0.325 20 5 FCBDMM C[C@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CO1 ZINC001590207628 1283329186 /nfs/dbraw/zinc/32/91/86/1283329186.db2.gz SUARLTAXBWVKHG-JGVFFNPUSA-N -1 1 354.348 0.231 20 5 FCBDMM C[C@H]1CSC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590330013 1283473426 /nfs/dbraw/zinc/47/34/26/1283473426.db2.gz UUNSZPVSPLOEKZ-OIBJUYFYSA-N -1 1 370.416 0.805 20 5 FCBDMM C[C@H]1CSC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590330013 1283473431 /nfs/dbraw/zinc/47/34/31/1283473431.db2.gz UUNSZPVSPLOEKZ-OIBJUYFYSA-N -1 1 370.416 0.805 20 5 FCBDMM C[C@@H]1Cc2ccccc2N1C(=O)Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001590331908 1283476102 /nfs/dbraw/zinc/47/61/02/1283476102.db2.gz TUAXFAYKMZNORV-SECBINFHSA-N -1 1 354.330 0.949 20 5 FCBDMM CCN(C(C)=O)c1nc(Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)cs1 ZINC001590676677 1283722880 /nfs/dbraw/zinc/72/28/80/1283722880.db2.gz KDKUXPWJERECGI-UHFFFAOYSA-N -1 1 363.363 0.849 20 5 FCBDMM CCNC(=O)N1CCN(c2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001590743804 1283795557 /nfs/dbraw/zinc/79/55/57/1283795557.db2.gz DHQUGLAUQBJUOK-UHFFFAOYSA-N -1 1 360.378 0.935 20 5 FCBDMM CCNC(=O)N1CCN(c2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001590743804 1283795562 /nfs/dbraw/zinc/79/55/62/1283795562.db2.gz DHQUGLAUQBJUOK-UHFFFAOYSA-N -1 1 360.378 0.935 20 5 FCBDMM CN(C)C(=O)Cn1ccc(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)n1 ZINC001591003645 1284064541 /nfs/dbraw/zinc/06/45/41/1284064541.db2.gz HGLVDUXLRJGTDQ-UHFFFAOYSA-N -1 1 357.334 0.803 20 5 FCBDMM CN(C)S(=O)(=O)C1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001591023586 1284082413 /nfs/dbraw/zinc/08/24/13/1284082413.db2.gz TWCODEBZGBWSKD-UHFFFAOYSA-N -1 1 368.379 0.006 20 5 FCBDMM CN(C)S(=O)(=O)C1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001591023586 1284082425 /nfs/dbraw/zinc/08/24/25/1284082425.db2.gz TWCODEBZGBWSKD-UHFFFAOYSA-N -1 1 368.379 0.006 20 5 FCBDMM COC(=O)[C@@H](O)C1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC001591237790 1284384318 /nfs/dbraw/zinc/38/43/18/1284384318.db2.gz RIXBOPHRFKBKIE-ZDUSSCGKSA-N -1 1 362.346 0.525 20 5 FCBDMM COC(=O)C[C@@H]1CN(c2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001591263643 1284419835 /nfs/dbraw/zinc/41/98/35/1284419835.db2.gz CAKBRXYVGZIGPD-LLVKDONJSA-N -1 1 362.346 0.852 20 5 FCBDMM COC(=O)C[C@@H]1CN(c2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001591263643 1284419839 /nfs/dbraw/zinc/41/98/39/1284419839.db2.gz CAKBRXYVGZIGPD-LLVKDONJSA-N -1 1 362.346 0.852 20 5 FCBDMM COC(=O)[C@]12CCC[C@H]1CN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])C2 ZINC001591284464 1284443132 /nfs/dbraw/zinc/44/31/32/1284443132.db2.gz MKTGAVAYWKLUOT-VFZGTOFNSA-N -1 1 359.346 0.949 20 5 FCBDMM COC(=O)[C@]12CCC[C@H]1CN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])C2 ZINC001591284464 1284443136 /nfs/dbraw/zinc/44/31/36/1284443136.db2.gz MKTGAVAYWKLUOT-VFZGTOFNSA-N -1 1 359.346 0.949 20 5 FCBDMM COc1ccc(C(=O)Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)cc1OC ZINC001591571400 1284745142 /nfs/dbraw/zinc/74/51/42/1284745142.db2.gz LHHRXZLDGKVOKB-UHFFFAOYSA-N -1 1 359.302 0.872 20 5 FCBDMM COc1ccc(COC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)cc1[N+](=O)[O-] ZINC001591601830 1284765523 /nfs/dbraw/zinc/76/55/23/1284765523.db2.gz ICZRYKMUVWUNRV-MRVPVSSYSA-N -1 1 374.317 0.679 20 5 FCBDMM CS(=O)(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC001591676466 1284813345 /nfs/dbraw/zinc/81/33/45/1284813345.db2.gz DGQCLNOQYHZRIT-UHFFFAOYSA-N -1 1 367.391 0.611 20 5 FCBDMM O=C(Cn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O)c1ccc([N+](=O)[O-])cc1F ZINC001592935118 1285822586 /nfs/dbraw/zinc/82/25/86/1285822586.db2.gz WVRLPNWKMZRBBS-UHFFFAOYSA-N -1 1 361.249 0.059 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)NCc1cccc(Cl)c1 ZINC001592937857 1285827784 /nfs/dbraw/zinc/82/77/84/1285827784.db2.gz RIZIJROWSAJQIO-UHFFFAOYSA-N -1 1 362.737 0.941 20 5 FCBDMM O=C([N-]CC1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1)C(F)(F)F ZINC001593046043 1285934961 /nfs/dbraw/zinc/93/49/61/1285934961.db2.gz ZQAOTKDEBICVPD-UHFFFAOYSA-N -1 1 371.279 0.890 20 5 FCBDMM O=C1[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCN1C1CCOCC1 ZINC001593378103 1286097636 /nfs/dbraw/zinc/09/76/36/1286097636.db2.gz KNJNMJPHRPLAKH-ZDUSSCGKSA-N -1 1 373.373 0.967 20 5 FCBDMM O=C1[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCN1C1CCOCC1 ZINC001593378103 1286097637 /nfs/dbraw/zinc/09/76/37/1286097637.db2.gz KNJNMJPHRPLAKH-ZDUSSCGKSA-N -1 1 373.373 0.967 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1S[C@@H]1CCCS(=O)(=O)C1 ZINC001593465180 1286170377 /nfs/dbraw/zinc/17/03/77/1286170377.db2.gz JSZPHJRCRQZAQP-SSDOTTSWSA-N -1 1 356.389 0.839 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1S[C@@H]1CCCS(=O)(=O)C1 ZINC001593465180 1286170382 /nfs/dbraw/zinc/17/03/82/1286170382.db2.gz JSZPHJRCRQZAQP-SSDOTTSWSA-N -1 1 356.389 0.839 20 5 FCBDMM O=[N+]([O-])c1c(NCC2COC2)cc(NCC2COC2)cc1-c1nnn[n-]1 ZINC001593464980 1286170789 /nfs/dbraw/zinc/17/07/89/1286170789.db2.gz DDAGAGJTAPOFPM-UHFFFAOYSA-N -1 1 361.362 0.892 20 5 FCBDMM O=[N+]([O-])c1c(NCC2COC2)cc(NCC2COC2)cc1-c1nn[n-]n1 ZINC001593464980 1286170794 /nfs/dbraw/zinc/17/07/94/1286170794.db2.gz DDAGAGJTAPOFPM-UHFFFAOYSA-N -1 1 361.362 0.892 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001593466733 1286170951 /nfs/dbraw/zinc/17/09/51/1286170951.db2.gz VRTOLWHNHDFIAF-CBLAIPOGSA-N -1 1 365.375 0.690 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001593466733 1286170957 /nfs/dbraw/zinc/17/09/57/1286170957.db2.gz VRTOLWHNHDFIAF-CBLAIPOGSA-N -1 1 365.375 0.690 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001593467089 1286172593 /nfs/dbraw/zinc/17/25/93/1286172593.db2.gz SAAVQXSJWCUSNR-ZJUUUORDSA-N -1 1 364.387 0.646 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001593467089 1286172595 /nfs/dbraw/zinc/17/25/95/1286172595.db2.gz SAAVQXSJWCUSNR-ZJUUUORDSA-N -1 1 364.387 0.646 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCC2(CO)CC2)c1-c1nn[n-]n1 ZINC001593484758 1286174036 /nfs/dbraw/zinc/17/40/36/1286174036.db2.gz FXZNRGHFXINAHJ-UHFFFAOYSA-N -1 1 368.375 0.216 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]3C[C@@H]32)c1-c1nn[n-]n1 ZINC001593483699 1286174505 /nfs/dbraw/zinc/17/45/05/1286174505.db2.gz CYNBOXHLLWXBII-SCZZXKLOSA-N -1 1 350.360 0.948 20 5 FCBDMM O=C([O-])c1cn([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)nn1 ZINC001602494499 1287013478 /nfs/dbraw/zinc/01/34/78/1287013478.db2.gz FQHHDJANPCMBQE-LLVKDONJSA-N -1 1 362.346 0.383 20 5 FCBDMM O=C([O-])c1cn([C@@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)nn1 ZINC001602494499 1287013488 /nfs/dbraw/zinc/01/34/88/1287013488.db2.gz FQHHDJANPCMBQE-LLVKDONJSA-N -1 1 362.346 0.383 20 5 FCBDMM COCCOCCN(CCO)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001605110296 1287884133 /nfs/dbraw/zinc/88/41/33/1287884133.db2.gz KLXNLPHJHWHWNY-UHFFFAOYSA-N -1 1 352.351 0.237 20 5 FCBDMM COc1ccc(C(=O)Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)c(OC)c1 ZINC001605255281 1287915978 /nfs/dbraw/zinc/91/59/78/1287915978.db2.gz ILODAZUABPBXKC-UHFFFAOYSA-N -1 1 359.302 0.872 20 5 FCBDMM C[S@@](=N)(=O)N1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001605352201 1287931966 /nfs/dbraw/zinc/93/19/66/1287931966.db2.gz LACKSIWPVWPVPO-QHCPKHFHSA-N -1 1 358.409 0.550 20 5 FCBDMM C[S@@](=N)(=O)N1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001605352201 1287931974 /nfs/dbraw/zinc/93/19/74/1287931974.db2.gz LACKSIWPVWPVPO-QHCPKHFHSA-N -1 1 358.409 0.550 20 5 FCBDMM CS(=O)(=O)N[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001605357748 1287936485 /nfs/dbraw/zinc/93/64/85/1287936485.db2.gz DDEURCYXOUGMIC-SECBINFHSA-N -1 1 367.391 0.293 20 5 FCBDMM CS(=O)(=O)N[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001605357748 1287936491 /nfs/dbraw/zinc/93/64/91/1287936491.db2.gz DDEURCYXOUGMIC-SECBINFHSA-N -1 1 367.391 0.293 20 5 FCBDMM CS(=O)(=O)N[C@H]1CCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001605358164 1287937569 /nfs/dbraw/zinc/93/75/69/1287937569.db2.gz JAKOUONBFJUZAF-ZETCQYMHSA-N -1 1 373.420 0.354 20 5 FCBDMM CS(=O)(=O)N[C@H]1CCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001605358164 1287937574 /nfs/dbraw/zinc/93/75/74/1287937574.db2.gz JAKOUONBFJUZAF-ZETCQYMHSA-N -1 1 373.420 0.354 20 5 FCBDMM Nc1cc(N2CCC(F)(F)[C@@H](CO)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606450994 1288324289 /nfs/dbraw/zinc/32/42/89/1288324289.db2.gz IPRDPEWAZHTPSQ-SSDOTTSWSA-N -1 1 355.305 0.811 20 5 FCBDMM Nc1cc(N2CCC(F)(F)[C@@H](CO)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606450994 1288324295 /nfs/dbraw/zinc/32/42/95/1288324295.db2.gz IPRDPEWAZHTPSQ-SSDOTTSWSA-N -1 1 355.305 0.811 20 5 FCBDMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001606844177 1288537899 /nfs/dbraw/zinc/53/78/99/1288537899.db2.gz AAYWKGDXGOQZAQ-NSHDSACASA-N -1 1 361.343 0.581 20 5 FCBDMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001606844177 1288537903 /nfs/dbraw/zinc/53/79/03/1288537903.db2.gz AAYWKGDXGOQZAQ-NSHDSACASA-N -1 1 361.343 0.581 20 5 FCBDMM O=C1CCC(=O)N1CCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001607040059 1288609753 /nfs/dbraw/zinc/60/97/53/1288609753.db2.gz OENNTEYJRIOZRJ-UHFFFAOYSA-N -1 1 351.348 0.787 20 5 FCBDMM O=C1CCC(=O)N1CCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001607040059 1288609756 /nfs/dbraw/zinc/60/97/56/1288609756.db2.gz OENNTEYJRIOZRJ-UHFFFAOYSA-N -1 1 351.348 0.787 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)N2CCC(F)(F)C2)c1 ZINC001607079877 1288649876 /nfs/dbraw/zinc/64/98/76/1288649876.db2.gz NINAUQOUFPCYTJ-UHFFFAOYSA-N -1 1 360.302 0.805 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)N2CCC(F)(F)C2)c1 ZINC001607079877 1288649879 /nfs/dbraw/zinc/64/98/79/1288649879.db2.gz NINAUQOUFPCYTJ-UHFFFAOYSA-N -1 1 360.302 0.805 20 5 FCBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C2)nc1 ZINC001607081436 1288652250 /nfs/dbraw/zinc/65/22/50/1288652250.db2.gz CNDGFOGJNCYABZ-SECBINFHSA-N -1 1 354.334 0.651 20 5 FCBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C2)nc1 ZINC001607081436 1288652253 /nfs/dbraw/zinc/65/22/53/1288652253.db2.gz CNDGFOGJNCYABZ-SECBINFHSA-N -1 1 354.334 0.651 20 5 FCBDMM O=[N+]([O-])c1cn(CCS(=O)(=O)C2CCCCC2)nc1-c1nn[n-]n1 ZINC001607085177 1288652907 /nfs/dbraw/zinc/65/29/07/1288652907.db2.gz LQAOMEOKTQGTTN-UHFFFAOYSA-N -1 1 355.380 0.719 20 5 FCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001607086563 1288653892 /nfs/dbraw/zinc/65/38/92/1288653892.db2.gz ZRLSQXUMVVEYPX-SFYZADRCSA-N -1 1 370.416 0.707 20 5 FCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001607086563 1288653899 /nfs/dbraw/zinc/65/38/99/1288653899.db2.gz ZRLSQXUMVVEYPX-SFYZADRCSA-N -1 1 370.416 0.707 20 5 FCBDMM Cn1c(=O)cc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)n(C)c1=O ZINC001608100798 1288768079 /nfs/dbraw/zinc/76/80/79/1288768079.db2.gz AUCZXUGCMPNHCD-MRXNPFEDSA-N -1 1 362.342 0.082 20 5 FCBDMM Nc1cc(N2CC[C@@H](C(=O)N3CCCC3)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609510933 1289190153 /nfs/dbraw/zinc/19/01/53/1289190153.db2.gz OVKQKGDUMNNVFP-SNVBAGLBSA-N -1 1 372.389 0.806 20 5 FCBDMM Nc1cc(N2CC[C@@H](C(=O)N3CCCC3)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609510933 1289190156 /nfs/dbraw/zinc/19/01/56/1289190156.db2.gz OVKQKGDUMNNVFP-SNVBAGLBSA-N -1 1 372.389 0.806 20 5 FCBDMM Nc1cc(NC[C@H](CO)c2cccnc2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609511105 1289190627 /nfs/dbraw/zinc/19/06/27/1289190627.db2.gz XUNLQZQZWFBTSB-SNVBAGLBSA-N -1 1 356.346 0.940 20 5 FCBDMM Nc1cc(NC[C@H](CO)c2cccnc2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609511105 1289190629 /nfs/dbraw/zinc/19/06/29/1289190629.db2.gz XUNLQZQZWFBTSB-SNVBAGLBSA-N -1 1 356.346 0.940 20 5 FCBDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001609517556 1289191608 /nfs/dbraw/zinc/19/16/08/1289191608.db2.gz CMJVAKUTUCJBGE-ZZXKWVIFSA-N -1 1 355.318 0.196 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCC2=CCOCC2)c1-c1nn[n-]n1 ZINC001609602873 1289258591 /nfs/dbraw/zinc/25/85/91/1289258591.db2.gz MHQOLHYLVYSXRV-UHFFFAOYSA-N -1 1 366.359 0.400 20 5 FCBDMM O=[N+]([O-])c1cccnc1N1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001609603570 1289258617 /nfs/dbraw/zinc/25/86/17/1289258617.db2.gz NPMZIJSIUCJMTB-UHFFFAOYSA-N -1 1 367.373 0.887 20 5 FCBDMM Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001610559662 1289510411 /nfs/dbraw/zinc/51/04/11/1289510411.db2.gz QMESJMORAVYCQP-LLVKDONJSA-N -1 1 353.379 0.497 20 5 FCBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCS2(=O)=O)cc1F ZINC001309501565 866820788 /nfs/dbraw/zinc/82/07/88/866820788.db2.gz OEVCEOFHQJRAND-SECBINFHSA-N -1 1 366.392 0.898 20 5 FCBDMM Cn1cc(N2CC[C@H]([N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])C2)cn1 ZINC001322084793 868730099 /nfs/dbraw/zinc/73/00/99/868730099.db2.gz RIVMBRJZSGITGM-JTQLQIEISA-N -1 1 352.376 0.281 20 5 FCBDMM COC(=O)COCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001328803469 871636386 /nfs/dbraw/zinc/63/63/86/871636386.db2.gz YDWATWBNPSHVDN-UHFFFAOYSA-N -1 1 352.752 0.716 20 5 FCBDMM 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/nfs/dbraw/zinc/63/17/17/491631717.db2.gz YVXKDWKGGWIZLO-MFKMUULPSA-N -1 1 373.325 0.475 20 5 FCBDMM NS(=O)(=O)c1ccccc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000581212591 491764428 /nfs/dbraw/zinc/76/44/28/491764428.db2.gz SPNZYTOXJQFZJJ-UHFFFAOYSA-N -1 1 352.328 0.273 20 5 FCBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CCc2ccccc2)C(=O)[O-])n1 ZINC000600653036 491871820 /nfs/dbraw/zinc/87/18/20/491871820.db2.gz YNQPJSBOHJZUAF-LLVKDONJSA-N -1 1 368.371 0.693 20 5 FCBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)n[nH]2)n1 ZINC000600667002 491874184 /nfs/dbraw/zinc/87/41/84/491874184.db2.gz PFAGCBPUAFHHHH-QMMMGPOBSA-N -1 1 356.364 0.746 20 5 FCBDMM CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000600838159 491886075 /nfs/dbraw/zinc/88/60/75/491886075.db2.gz MKRFULISXWSJII-VIFPVBQESA-N -1 1 358.376 0.097 20 5 FCBDMM O=C([N-]c1nn2cnnc2s1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000609441464 492208427 /nfs/dbraw/zinc/20/84/27/492208427.db2.gz DNFCDTRCNAENAT-UHFFFAOYSA-N 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O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ccccc1[N+](=O)[O-] ZINC000737907463 599137156 /nfs/dbraw/zinc/13/71/56/599137156.db2.gz DGAJTGJYAKQPCO-UHFFFAOYSA-N -1 1 369.297 0.965 20 5 FCBDMM O=[N+]([O-])c1ccccc1N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC000738369281 598385043 /nfs/dbraw/zinc/38/50/43/598385043.db2.gz KFOFYNNVWKUQQG-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1ccccc1N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC000738369281 598385045 /nfs/dbraw/zinc/38/50/45/598385045.db2.gz KFOFYNNVWKUQQG-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC000737051924 598677055 /nfs/dbraw/zinc/67/70/55/598677055.db2.gz MDXLIRLLFZOZGT-UHFFFAOYSA-N -1 1 371.313 0.584 20 5 FCBDMM O=[N+]([O-])c1cccc2c1CCN2S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738370255 599596348 /nfs/dbraw/zinc/59/63/48/599596348.db2.gz SWHZGYBYJCCHBZ-UHFFFAOYSA-N -1 1 373.354 0.921 20 5 FCBDMM O=[N+]([O-])c1cccc2c1CCN2S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738370255 599596350 /nfs/dbraw/zinc/59/63/50/599596350.db2.gz SWHZGYBYJCCHBZ-UHFFFAOYSA-N -1 1 373.354 0.921 20 5 FCBDMM Cc1nn(CCC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c(C)c1[N+](=O)[O-] ZINC000833015237 601103174 /nfs/dbraw/zinc/10/31/74/601103174.db2.gz AXVZYRCHKJOIQJ-LLVKDONJSA-N -1 1 367.406 0.806 20 5 FCBDMM COCC(C)(C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826149001 607604833 /nfs/dbraw/zinc/60/48/33/607604833.db2.gz WNHDPJLKJQLPKC-UHFFFAOYSA-N -1 1 356.364 0.478 20 5 FCBDMM C[C@@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCOC1 ZINC000824824608 607614939 /nfs/dbraw/zinc/61/49/39/607614939.db2.gz WCARTCWWXXAKKS-ZDUSSCGKSA-N -1 1 368.375 0.480 20 5 FCBDMM CCC(O)(CC)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825152828 607629724 /nfs/dbraw/zinc/62/97/24/607629724.db2.gz CTJICPABSBXVEB-UHFFFAOYSA-N -1 1 370.391 0.604 20 5 FCBDMM C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC000824641129 607648094 /nfs/dbraw/zinc/64/80/94/607648094.db2.gz RVJIBULTOPJLRT-RKDXNWHRSA-N -1 1 368.375 0.478 20 5 FCBDMM Cn1cccc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826363801 607657957 /nfs/dbraw/zinc/65/79/57/607657957.db2.gz CAILWMJQIJICAT-UHFFFAOYSA-N -1 1 363.359 0.592 20 5 FCBDMM CCN1C[C@H](C)[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000833655915 605397213 /nfs/dbraw/zinc/39/72/13/605397213.db2.gz HLCJNSHBJKGOIC-JOYOIKCWSA-N -1 1 357.388 0.912 20 5 FCBDMM CS(=O)(=O)N1CCC[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821932831 606701419 /nfs/dbraw/zinc/70/14/19/606701419.db2.gz SIGTZUSYUAXACT-QMMMGPOBSA-N -1 1 368.379 0.006 20 5 FCBDMM CS(=O)(=O)N1CCC[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821932831 606701420 /nfs/dbraw/zinc/70/14/20/606701420.db2.gz SIGTZUSYUAXACT-QMMMGPOBSA-N -1 1 368.379 0.006 20 5 FCBDMM C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000820776685 606716238 /nfs/dbraw/zinc/71/62/38/606716238.db2.gz MIGVSGWLJRZBIR-PWSUYJOCSA-N -1 1 360.378 0.327 20 5 FCBDMM CN(Cc1cc[nH]n1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821608670 606734961 /nfs/dbraw/zinc/73/49/61/606734961.db2.gz PRKLNDWOSPAAJM-UHFFFAOYSA-N -1 1 364.347 0.319 20 5 FCBDMM COC[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821684829 606736752 /nfs/dbraw/zinc/73/67/52/606736752.db2.gz LSLVIUDQOMCJFI-SECBINFHSA-N -1 1 368.375 0.574 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CCN(c3cnccn3)CC2)cc1-c1nnn[n-]1 ZINC000826499079 607839858 /nfs/dbraw/zinc/83/98/58/607839858.db2.gz VBCDHQSFLNOKSY-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CCN(c3cnccn3)CC2)cc1-c1nn[n-]n1 ZINC000826499079 607839859 /nfs/dbraw/zinc/83/98/59/607839859.db2.gz VBCDHQSFLNOKSY-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H](CO)CC2CC2)c1-c1nn[n-]n1 ZINC000826500414 607853406 /nfs/dbraw/zinc/85/34/06/607853406.db2.gz XSVXLRDNNSUSIW-SECBINFHSA-N -1 1 368.375 0.214 20 5 FCBDMM O=c1c([N+](=O)[O-])cn(-c2snc(Cl)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826501365 608191877 /nfs/dbraw/zinc/19/18/77/608191877.db2.gz MXZLYFZEXMHJOI-UHFFFAOYSA-N -1 1 370.694 0.944 20 5 FCBDMM O=c1c([N+](=O)[O-])cn(-c2snc(Cl)c2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826501365 608191879 /nfs/dbraw/zinc/19/18/79/608191879.db2.gz MXZLYFZEXMHJOI-UHFFFAOYSA-N -1 1 370.694 0.944 20 5 FCBDMM C[C@@]1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCCOC1 ZINC000824837631 608250810 /nfs/dbraw/zinc/25/08/10/608250810.db2.gz HXVIXUFEQKXNNJ-CYBMUJFWSA-N -1 1 368.375 0.622 20 5 FCBDMM O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826498299 608394150 /nfs/dbraw/zinc/39/41/50/608394150.db2.gz OTQOGSSHUOCAHQ-DGCLKSJQSA-N -1 1 358.318 0.071 20 5 FCBDMM O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826498299 608394152 /nfs/dbraw/zinc/39/41/52/608394152.db2.gz OTQOGSSHUOCAHQ-DGCLKSJQSA-N -1 1 358.318 0.071 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCC1CCS(=O)(=O)CC1 ZINC000826497601 608553007 /nfs/dbraw/zinc/55/30/07/608553007.db2.gz MVSGRVUMGROUDJ-UHFFFAOYSA-N -1 1 367.391 0.797 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCC1CCS(=O)(=O)CC1 ZINC000826497601 608553008 /nfs/dbraw/zinc/55/30/08/608553008.db2.gz MVSGRVUMGROUDJ-UHFFFAOYSA-N -1 1 367.391 0.797 20 5 FCBDMM C[C@@H](O)[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824686887 609582406 /nfs/dbraw/zinc/58/24/06/609582406.db2.gz CYDHXGQBBXSFJM-BDAKNGLRSA-N -1 1 368.375 0.166 20 5 FCBDMM COC(=O)c1c[n-]nc1S(=O)(=O)Oc1ccc(OC)cc1[N+](=O)[O-] ZINC000912528533 666450368 /nfs/dbraw/zinc/45/03/68/666450368.db2.gz VMLGIPOTQBGCSI-UHFFFAOYSA-N -1 1 357.300 0.881 20 5 FCBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCS(=O)(=O)NC1CC1 ZINC000918192710 667106342 /nfs/dbraw/zinc/10/63/42/667106342.db2.gz WAVGCFCNLZYKFD-UHFFFAOYSA-N -1 1 367.380 0.094 20 5 FCBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC000920008838 667218165 /nfs/dbraw/zinc/21/81/65/667218165.db2.gz HQALVVKJHMYSMZ-CMPLNLGQSA-N -1 1 360.411 0.647 20 5 FCBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1CCS(=O)(=O)CC1 ZINC000755995562 667657124 /nfs/dbraw/zinc/65/71/24/667657124.db2.gz VCQDLHNLZBQOMR-UHFFFAOYSA-N -1 1 366.392 0.837 20 5 FCBDMM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000758502166 667767968 /nfs/dbraw/zinc/76/79/68/667767968.db2.gz KEFAQCUXQYLDCQ-MRVPVSSYSA-N -1 1 352.752 0.451 20 5 FCBDMM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC ZINC000778067296 668348689 /nfs/dbraw/zinc/34/86/89/668348689.db2.gz FWRIJFZHJWSHJF-QMMMGPOBSA-N -1 1 352.752 0.715 20 5 FCBDMM CNC(=O)[C@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809838178 669643999 /nfs/dbraw/zinc/64/39/99/669643999.db2.gz RSEVNBBRUCOTFF-MRVPVSSYSA-N -1 1 372.186 0.287 20 5 FCBDMM O=C(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])NC1CC1 ZINC000814980388 669894695 /nfs/dbraw/zinc/89/46/95/669894695.db2.gz LPJBNHMYHWKRAB-UHFFFAOYSA-N -1 1 351.743 0.944 20 5 FCBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@]1(O)CCOC1 ZINC000815027507 669896199 /nfs/dbraw/zinc/89/61/99/669896199.db2.gz SEQYJUMRSLAIOX-NSHDSACASA-N -1 1 354.743 0.817 20 5 FCBDMM CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000842323253 670668252 /nfs/dbraw/zinc/66/82/52/670668252.db2.gz HYXFPOKVOMGYFH-OPRDCNLKSA-N -1 1 363.392 0.107 20 5 FCBDMM O=C([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)[C@@H]1CC1[N+](=O)[O-] ZINC000842354102 670672617 /nfs/dbraw/zinc/67/26/17/670672617.db2.gz SWQKFMVXDKLZEB-GMSGAONNSA-N -1 1 357.319 0.181 20 5 FCBDMM CC(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)=C1C(=O)[N-]C(=S)NC1=O ZINC000009771808 673729869 /nfs/dbraw/zinc/72/98/69/673729869.db2.gz AHUJPSAKLKXWEA-UHFFFAOYSA-N -1 1 351.300 0.720 20 5 FCBDMM CN(CC(=O)N1CCC(O)(c2nn[n-]n2)CC1)c1ccccc1[N+](=O)[O-] ZINC000819614618 1203165487 /nfs/dbraw/zinc/16/54/87/1203165487.db2.gz MTEYTSKDASLPLR-UHFFFAOYSA-N -1 1 361.362 0.054 20 5 FCBDMM O=C(c1ncccc1[O-])N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001010627124 1213804268 /nfs/dbraw/zinc/80/42/68/1213804268.db2.gz CWJZUJIPFGLAFF-VXGBXAGGSA-N -1 1 360.370 0.517 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000748838893 1218827647 /nfs/dbraw/zinc/82/76/47/1218827647.db2.gz ZRFYFAATRLYTNP-AWEZNQCLSA-N -1 1 355.314 0.175 20 5 FCBDMM Cn1[n-]c(COC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)nc1=O ZINC000765504237 1245302386 /nfs/dbraw/zinc/30/23/86/1245302386.db2.gz VETHITIAYREXOC-UHFFFAOYSA-N -1 1 363.330 0.210 20 5 FCBDMM CC(C)c1nc(C(N)=O)c(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)c(=O)[n-]1 ZINC001234565163 1259561908 /nfs/dbraw/zinc/56/19/08/1259561908.db2.gz LZXRGAQYFHJUCJ-ZETCQYMHSA-N -1 1 364.318 0.349 20 5 FCBDMM CC(C)(CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])NS(C)(=O)=O ZINC001573901744 1270925333 /nfs/dbraw/zinc/92/53/33/1270925333.db2.gz DRDCIWHOCNFAJR-UHFFFAOYSA-N -1 1 361.409 0.576 20 5 FCBDMM CC(C)(CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])NS(C)(=O)=O ZINC001573901744 1270925336 /nfs/dbraw/zinc/92/53/36/1270925336.db2.gz DRDCIWHOCNFAJR-UHFFFAOYSA-N -1 1 361.409 0.576 20 5 FCBDMM CO[C@]1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001579602369 1277633163 /nfs/dbraw/zinc/63/31/63/1277633163.db2.gz HUBFCEJMNNDJMH-ZDUSSCGKSA-N -1 1 368.375 0.391 20 5 FCBDMM CO[C@]1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001579602369 1277633168 /nfs/dbraw/zinc/63/31/68/1277633168.db2.gz HUBFCEJMNNDJMH-ZDUSSCGKSA-N -1 1 368.375 0.391 20 5 FCBDMM COc1cc([N+](=O)[O-])ccc1Cn1c(=O)c(-c2nn[n-]n2)c(C)n(C)c1=O ZINC001579937139 1277971080 /nfs/dbraw/zinc/97/10/80/1277971080.db2.gz FBKPTIIJPVOEAO-UHFFFAOYSA-N -1 1 373.329 0.001 20 5 FCBDMM C[C@@H](CC(C)(C)O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001603451636 1287375904 /nfs/dbraw/zinc/37/59/04/1287375904.db2.gz RGELCSWALKEFIG-QMMMGPOBSA-N -1 1 370.391 0.603 20 5 FCBDMM Cn1c(=O)c(Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)nc2ccccc21 ZINC001581748874 1280452528 /nfs/dbraw/zinc/45/25/28/1280452528.db2.gz YLSSCGAQTSXVOZ-UHFFFAOYSA-N -1 1 353.302 0.267 20 5 FCBDMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001582137755 1281094890 /nfs/dbraw/zinc/09/48/90/1281094890.db2.gz KDRAQSQEBWNVFT-UHFFFAOYSA-N -1 1 368.357 0.941 20 5 FCBDMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001582137755 1281094895 /nfs/dbraw/zinc/09/48/95/1281094895.db2.gz KDRAQSQEBWNVFT-UHFFFAOYSA-N -1 1 368.357 0.941 20 5 FCBDMM O=C(NCc1ccc(-c2nn[nH]n2)c(F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001582546463 1281739504 /nfs/dbraw/zinc/73/95/04/1281739504.db2.gz WRLMAERAWAGRHK-UHFFFAOYSA-N -1 1 359.277 0.945 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC001582803448 1282028076 /nfs/dbraw/zinc/02/80/76/1282028076.db2.gz HYLMQIPUUSERAD-AYMMMOKOSA-N -1 1 350.360 0.852 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC001582803448 1282028082 /nfs/dbraw/zinc/02/80/82/1282028082.db2.gz HYLMQIPUUSERAD-AYMMMOKOSA-N -1 1 350.360 0.852 20 5 FCBDMM C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001589978258 1283154220 /nfs/dbraw/zinc/15/42/20/1283154220.db2.gz KODCZLBEKKMQIN-ZETCQYMHSA-N -1 1 358.318 0.747 20 5 FCBDMM C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CC[C@@H]1O ZINC001590310078 1283454252 /nfs/dbraw/zinc/45/42/52/1283454252.db2.gz OJMNUAIXQMLJAA-KCJUWKMLSA-N -1 1 368.375 0.166 20 5 FCBDMM C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CC[C@@H]1O ZINC001590310078 1283454257 /nfs/dbraw/zinc/45/42/57/1283454257.db2.gz OJMNUAIXQMLJAA-KCJUWKMLSA-N -1 1 368.375 0.166 20 5 FCBDMM C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CC[C@@H]1O ZINC001590310079 1283454269 /nfs/dbraw/zinc/45/42/69/1283454269.db2.gz OJMNUAIXQMLJAA-KWQFWETISA-N -1 1 368.375 0.166 20 5 FCBDMM C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CC[C@@H]1O ZINC001590310079 1283454273 /nfs/dbraw/zinc/45/42/73/1283454273.db2.gz OJMNUAIXQMLJAA-KWQFWETISA-N -1 1 368.375 0.166 20 5 FCBDMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001590315600 1283460078 /nfs/dbraw/zinc/46/00/78/1283460078.db2.gz NVLPATCJDNCCIR-VIFPVBQESA-N -1 1 352.376 0.646 20 5 FCBDMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001590315600 1283460086 /nfs/dbraw/zinc/46/00/86/1283460086.db2.gz NVLPATCJDNCCIR-VIFPVBQESA-N -1 1 352.376 0.646 20 5 FCBDMM C[C@@H]1OCC[C@@]1(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590333526 1283477500 /nfs/dbraw/zinc/47/75/00/1283477500.db2.gz HNCYOXSVCYJOQT-ISVAXAHUSA-N -1 1 368.375 0.621 20 5 FCBDMM C[C@@H]1OCC[C@@]1(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590333526 1283477504 /nfs/dbraw/zinc/47/75/04/1283477504.db2.gz HNCYOXSVCYJOQT-ISVAXAHUSA-N -1 1 368.375 0.621 20 5 FCBDMM CCC1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)COC1 ZINC001590496234 1283564542 /nfs/dbraw/zinc/56/45/42/1283564542.db2.gz NJMICTWGPLUUJW-UHFFFAOYSA-N -1 1 368.375 0.480 20 5 FCBDMM CCC1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)COC1 ZINC001590496234 1283564551 /nfs/dbraw/zinc/56/45/51/1283564551.db2.gz NJMICTWGPLUUJW-UHFFFAOYSA-N -1 1 368.375 0.480 20 5 FCBDMM CC[C@]1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCOC1 ZINC001590497635 1283566692 /nfs/dbraw/zinc/56/66/92/1283566692.db2.gz VISZXRRWHKESJE-ZDUSSCGKSA-N -1 1 368.375 0.622 20 5 FCBDMM CC[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C[C@@H]1O ZINC001590525413 1283588617 /nfs/dbraw/zinc/58/86/17/1283588617.db2.gz YBOJSRQLCWDEPM-KCJUWKMLSA-N -1 1 368.375 0.166 20 5 FCBDMM CC[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)C[C@@H]1O ZINC001590525413 1283588625 /nfs/dbraw/zinc/58/86/25/1283588625.db2.gz YBOJSRQLCWDEPM-KCJUWKMLSA-N -1 1 368.375 0.166 20 5 FCBDMM CCS(=O)(=O)NCCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590847086 1283922946 /nfs/dbraw/zinc/92/29/46/1283922946.db2.gz AIBBOIAMAAAIAX-UHFFFAOYSA-N -1 1 361.409 0.578 20 5 FCBDMM CCS(=O)(=O)NCCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590847086 1283922955 /nfs/dbraw/zinc/92/29/55/1283922955.db2.gz AIBBOIAMAAAIAX-UHFFFAOYSA-N -1 1 361.409 0.578 20 5 FCBDMM CCn1cc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(=O)[nH]c1=O ZINC001590952978 1284002192 /nfs/dbraw/zinc/00/21/92/1284002192.db2.gz CXEOHPXSDKWTIS-UHFFFAOYSA-N -1 1 358.318 0.669 20 5 FCBDMM CCn1cc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(=O)[nH]c1=O ZINC001590952978 1284002199 /nfs/dbraw/zinc/00/21/99/1284002199.db2.gz CXEOHPXSDKWTIS-UHFFFAOYSA-N -1 1 358.318 0.669 20 5 FCBDMM CNS(=O)(=O)[C@H]1CCN(c2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001591219244 1284357296 /nfs/dbraw/zinc/35/72/96/1284357296.db2.gz AEWZAOLVGFHYMA-JTQLQIEISA-N -1 1 367.391 0.211 20 5 FCBDMM CNS(=O)(=O)[C@H]1CCN(c2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001591219244 1284357303 /nfs/dbraw/zinc/35/73/03/1284357303.db2.gz AEWZAOLVGFHYMA-JTQLQIEISA-N -1 1 367.391 0.211 20 5 FCBDMM COC(=O)CCNC(=O)CCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591265195 1284422859 /nfs/dbraw/zinc/42/28/59/1284422859.db2.gz NTPGGVTZIURIGI-UHFFFAOYSA-N -1 1 369.363 0.318 20 5 FCBDMM COC(=O)CCNC(=O)CCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591265195 1284422861 /nfs/dbraw/zinc/42/28/61/1284422861.db2.gz NTPGGVTZIURIGI-UHFFFAOYSA-N -1 1 369.363 0.318 20 5 FCBDMM COC(=O)c1cn(CCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)nn1 ZINC001591307073 1284458301 /nfs/dbraw/zinc/45/83/01/1284458301.db2.gz YQHXVEMGECWXQE-UHFFFAOYSA-N -1 1 359.306 0.265 20 5 FCBDMM COC(=O)c1cn(CCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)nn1 ZINC001591307073 1284458307 /nfs/dbraw/zinc/45/83/07/1284458307.db2.gz YQHXVEMGECWXQE-UHFFFAOYSA-N -1 1 359.306 0.265 20 5 FCBDMM CO[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC001591474278 1284650194 /nfs/dbraw/zinc/65/01/94/1284650194.db2.gz JTIPZYCSDOAKMX-ZKCHVHJHSA-N -1 1 354.348 0.231 20 5 FCBDMM C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC001591729727 1284863512 /nfs/dbraw/zinc/86/35/12/1284863512.db2.gz GYRWJOGGEDSNAC-SSDOTTSWSA-N -1 1 358.318 0.747 20 5 FCBDMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H]1CS(N)(=O)=O ZINC001591748282 1284873899 /nfs/dbraw/zinc/87/38/99/1284873899.db2.gz SHWQYPJXGKAABH-BDAKNGLRSA-N -1 1 367.391 0.136 20 5 FCBDMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H]1CS(N)(=O)=O ZINC001591748282 1284873910 /nfs/dbraw/zinc/87/39/10/1284873910.db2.gz SHWQYPJXGKAABH-BDAKNGLRSA-N -1 1 367.391 0.136 20 5 FCBDMM Cc1c(-c2nn[n-]n2)c(=O)n(Cc2ccc(F)cc2[N+](=O)[O-])c(=O)n1C ZINC001591795205 1284911376 /nfs/dbraw/zinc/91/13/76/1284911376.db2.gz JSQPXHOFEYAAHJ-UHFFFAOYSA-N -1 1 361.293 0.131 20 5 FCBDMM Cc1c(Cn2c(=O)c(-c3nn[n-]n3)c(C)n(C)c2=O)cccc1[N+](=O)[O-] ZINC001591821588 1284927845 /nfs/dbraw/zinc/92/78/45/1284927845.db2.gz LFDJGCDLISNTCC-UHFFFAOYSA-N -1 1 357.330 0.300 20 5 FCBDMM Cc1ccc(CNC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)cc1[N+](=O)[O-] ZINC001592156758 1285166863 /nfs/dbraw/zinc/16/68/63/1285166863.db2.gz WUMQFGAYBQYGMD-SECBINFHSA-N -1 1 357.334 0.552 20 5 FCBDMM Cc1nsc(N2CCN(c3ncc([N+](=O)[O-])cn3)CC2)c1-c1nn[n-]n1 ZINC001592476388 1285418248 /nfs/dbraw/zinc/41/82/48/1285418248.db2.gz GENNNMMTVJDLMQ-UHFFFAOYSA-N -1 1 374.390 0.656 20 5 FCBDMM CN1C(=O)NC2(CCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CC2)C1=O ZINC001604840503 1287794386 /nfs/dbraw/zinc/79/43/86/1287794386.db2.gz FBJPNIAUYWUDRX-UHFFFAOYSA-N -1 1 372.345 0.296 20 5 FCBDMM NC(=O)[C@H](F)C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001592715095 1285600450 /nfs/dbraw/zinc/60/04/50/1285600450.db2.gz HEEXOINRLBBUPE-SECBINFHSA-N -1 1 350.314 0.210 20 5 FCBDMM NC(=O)[C@H](F)C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001592715095 1285600462 /nfs/dbraw/zinc/60/04/62/1285600462.db2.gz HEEXOINRLBBUPE-SECBINFHSA-N -1 1 350.314 0.210 20 5 FCBDMM Nc1cc(N2CC[C@@H]3COC(=O)N[C@H]3C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760114 1285681488 /nfs/dbraw/zinc/68/14/88/1285681488.db2.gz SJFJTPKKHLXYCQ-HQJQHLMTSA-N -1 1 360.334 0.292 20 5 FCBDMM Nc1cc(N2CC[C@@H]3COC(=O)N[C@H]3C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760114 1285681496 /nfs/dbraw/zinc/68/14/96/1285681496.db2.gz SJFJTPKKHLXYCQ-HQJQHLMTSA-N -1 1 360.334 0.292 20 5 FCBDMM Nc1cc(N2CC[C@@H](N3CCOC3=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759675 1285682721 /nfs/dbraw/zinc/68/27/21/1285682721.db2.gz GKHJVKCOXUGQIE-MRVPVSSYSA-N -1 1 360.334 0.388 20 5 FCBDMM Nc1cc(N2CC[C@@H](N3CCOC3=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759675 1285682728 /nfs/dbraw/zinc/68/27/28/1285682728.db2.gz GKHJVKCOXUGQIE-MRVPVSSYSA-N -1 1 360.334 0.388 20 5 FCBDMM Nc1cc(NC[C@H]2CCS(=O)(=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760239 1285682793 /nfs/dbraw/zinc/68/27/93/1285682793.db2.gz UCRFZWITQBNRSC-SSDOTTSWSA-N -1 1 353.364 0.204 20 5 FCBDMM Nc1cc(NC[C@H]2CCS(=O)(=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760239 1285682796 /nfs/dbraw/zinc/68/27/96/1285682796.db2.gz UCRFZWITQBNRSC-SSDOTTSWSA-N -1 1 353.364 0.204 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(c2cc(F)ncn2)CC1 ZINC001593465474 1286170932 /nfs/dbraw/zinc/17/09/32/1286170932.db2.gz BBWRQCJEJSTCGV-UHFFFAOYSA-N -1 1 372.324 0.426 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(c2cc(F)ncn2)CC1 ZINC001593465474 1286170938 /nfs/dbraw/zinc/17/09/38/1286170938.db2.gz BBWRQCJEJSTCGV-UHFFFAOYSA-N -1 1 372.324 0.426 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@]23C[C@H]2CCC3)c1-c1nn[n-]n1 ZINC001593486049 1286173869 /nfs/dbraw/zinc/17/38/69/1286173869.db2.gz ZTHCSRKHRWWYNS-AMIZOPFISA-N -1 1 350.360 0.996 20 5 FCBDMM O=[N+]([O-])c1ccnn1CN1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001593486684 1286176499 /nfs/dbraw/zinc/17/64/99/1286176499.db2.gz HDVINASGPAWYRQ-UHFFFAOYSA-N -1 1 356.350 0.146 20 5 FCBDMM O=[N+]([O-])c1ccnn1CN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001593486684 1286176502 /nfs/dbraw/zinc/17/65/02/1286176502.db2.gz HDVINASGPAWYRQ-UHFFFAOYSA-N -1 1 356.350 0.146 20 5 FCBDMM O=c1ccn(CCCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(=O)[nH]1 ZINC001593497894 1286181355 /nfs/dbraw/zinc/18/13/55/1286181355.db2.gz RKPWTCWSPARQQA-UHFFFAOYSA-N -1 1 358.318 0.539 20 5 FCBDMM O=c1ccn(CCCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(=O)[nH]1 ZINC001593497894 1286181360 /nfs/dbraw/zinc/18/13/60/1286181360.db2.gz RKPWTCWSPARQQA-UHFFFAOYSA-N -1 1 358.318 0.539 20 5 FCBDMM Cc1c(NC(=O)NCCN2CCN(C)CC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600043390 1286433110 /nfs/dbraw/zinc/43/31/10/1286433110.db2.gz VMJLWHPRPFBDRJ-UHFFFAOYSA-N -1 1 365.390 0.970 20 5 FCBDMM Cc1cc(C(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])cc([N+](=O)[O-])c1 ZINC001600079739 1286437112 /nfs/dbraw/zinc/43/71/12/1286437112.db2.gz PLTFPZQGEHTGOY-UHFFFAOYSA-N -1 1 364.402 0.677 20 5 FCBDMM O=C([O-])[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001601650460 1286800153 /nfs/dbraw/zinc/80/01/53/1286800153.db2.gz CCAHQDJJQHYLQW-BDAKNGLRSA-N -1 1 362.335 0.750 20 5 FCBDMM O=C([O-])[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC001601650461 1286800697 /nfs/dbraw/zinc/80/06/97/1286800697.db2.gz CCAHQDJJQHYLQW-DTWKUNHWSA-N -1 1 362.335 0.750 20 5 FCBDMM O=C([O-])CN1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001602060678 1286914775 /nfs/dbraw/zinc/91/47/75/1286914775.db2.gz IBBQKEXYUJGLPV-UHFFFAOYSA-N -1 1 356.766 0.889 20 5 FCBDMM C[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001603004355 1287178443 /nfs/dbraw/zinc/17/84/43/1287178443.db2.gz DZDPQCKHOSZVRQ-VIFPVBQESA-N -1 1 371.361 0.979 20 5 FCBDMM C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)n1cnc(-c2nn[n-]n2)n1 ZINC001603003156 1287178546 /nfs/dbraw/zinc/17/85/46/1287178546.db2.gz CYDZBESDRMFYDL-MRVPVSSYSA-N -1 1 355.318 0.517 20 5 FCBDMM COC1(c2cnnn2C)CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001605022117 1287838743 /nfs/dbraw/zinc/83/87/43/1287838743.db2.gz YDQYOPFSYRWHLQ-UHFFFAOYSA-N -1 1 357.334 0.265 20 5 FCBDMM COC1(c2cnnn2C)CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001605022117 1287838747 /nfs/dbraw/zinc/83/87/47/1287838747.db2.gz YDQYOPFSYRWHLQ-UHFFFAOYSA-N -1 1 357.334 0.265 20 5 FCBDMM NS(=O)(=O)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001606441161 1288320538 /nfs/dbraw/zinc/32/05/38/1288320538.db2.gz UTOFKLWHTIFQOZ-VIFPVBQESA-N -1 1 353.364 0.032 20 5 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CN(CC(=O)Nc1nn[n-]n1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796528880 669106918 /nfs/dbraw/zinc/10/69/18/669106918.db2.gz ZJDFWRUZSSTHDP-UHFFFAOYSA-N -1 1 356.140 0.945 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cscn2)c1-c1nn[n-]n1 ZINC000826499905 669496575 /nfs/dbraw/zinc/49/65/75/669496575.db2.gz DKAKGNIXOIFGKL-UHFFFAOYSA-N -1 1 367.372 0.710 20 5 FCBDMM COC(=O)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809829459 669642415 /nfs/dbraw/zinc/64/24/15/669642415.db2.gz BJSNLVDSLWRWML-QMMMGPOBSA-N -1 1 356.715 0.200 20 5 FCBDMM CC(C)OCCS(=O)(=O)[N-]Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000812816022 669816743 /nfs/dbraw/zinc/81/67/43/669816743.db2.gz IRPYXUZMWRRTIN-UHFFFAOYSA-N -1 1 364.424 0.902 20 5 FCBDMM COC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815031128 669896112 /nfs/dbraw/zinc/89/61/12/669896112.db2.gz NCFVOKZEVMFJLL-SSDOTTSWSA-N -1 1 356.715 0.200 20 5 FCBDMM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815031628 669896345 /nfs/dbraw/zinc/89/63/45/669896345.db2.gz YUMSEIXBACBMTD-MRVPVSSYSA-N -1 1 370.742 0.590 20 5 FCBDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])cc1Cl ZINC000847856889 671230872 /nfs/dbraw/zinc/23/08/72/671230872.db2.gz WIDUZDBIMKMVKA-LDYMZIIASA-N -1 1 361.763 0.769 20 5 FCBDMM CN1C(=O)CC[C@H]([N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1=O ZINC000848593298 671284876 /nfs/dbraw/zinc/28/48/76/671284876.db2.gz DJTSPCATKMBFBS-JTQLQIEISA-N -1 1 357.269 0.830 20 5 FCBDMM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798270674 1221283208 /nfs/dbraw/zinc/28/32/08/1221283208.db2.gz UWGUQKOOFUZEMC-UHFFFAOYSA-N -1 1 371.357 0.642 20 5 FCBDMM C[C@@H](O)C[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001575475502 1272145197 /nfs/dbraw/zinc/14/51/97/1272145197.db2.gz WEICMNYFBVRMNR-DTWKUNHWSA-N -1 1 370.391 0.460 20 5 FCBDMM C[C@@H](O)C[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001575475502 1272145203 /nfs/dbraw/zinc/14/52/03/1272145203.db2.gz WEICMNYFBVRMNR-DTWKUNHWSA-N -1 1 370.391 0.460 20 5 FCBDMM C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CCO1 ZINC001576358740 1273181984 /nfs/dbraw/zinc/18/19/84/1273181984.db2.gz BGMAYTWPQJYQBT-MRVPVSSYSA-N -1 1 354.348 0.184 20 5 FCBDMM C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CCO1 ZINC001576358740 1273181987 /nfs/dbraw/zinc/18/19/87/1273181987.db2.gz BGMAYTWPQJYQBT-MRVPVSSYSA-N -1 1 354.348 0.184 20 5 FCBDMM CN([C@@H]1CCC[C@H]1O)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001579266042 1277062194 /nfs/dbraw/zinc/06/21/94/1277062194.db2.gz BAGRRIRUTINHOF-GHMZBOCLSA-N -1 1 368.375 0.309 20 5 FCBDMM CN([C@@H]1CCC[C@H]1O)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001579266042 1277062197 /nfs/dbraw/zinc/06/21/97/1277062197.db2.gz BAGRRIRUTINHOF-GHMZBOCLSA-N -1 1 368.375 0.309 20 5 FCBDMM COC(C)(C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001579534177 1277502117 /nfs/dbraw/zinc/50/21/17/1277502117.db2.gz PLYLMSNBFCTZGF-UHFFFAOYSA-N -1 1 370.391 0.868 20 5 FCBDMM CC(C)NS(=O)(=O)NCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603342694 1287358888 /nfs/dbraw/zinc/35/88/88/1287358888.db2.gz SOGVPUWXKXRPQV-UHFFFAOYSA-N -1 1 370.395 0.019 20 5 FCBDMM Cc1nn(C)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC001581593501 1280191663 /nfs/dbraw/zinc/19/16/63/1280191663.db2.gz GEMSKERUKWGDHT-UHFFFAOYSA-N -1 1 358.318 0.834 20 5 FCBDMM Cc1nn(C)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC001581593501 1280191665 /nfs/dbraw/zinc/19/16/65/1280191665.db2.gz GEMSKERUKWGDHT-UHFFFAOYSA-N -1 1 358.318 0.834 20 5 FCBDMM CC(C)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CCN1 ZINC001603759941 1287490720 /nfs/dbraw/zinc/49/07/20/1287490720.db2.gz SXUDSAUBGUFYQG-LBPRGKRZSA-N -1 1 357.388 0.912 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC23CCC3)c1-c1nn[n-]n1 ZINC001582804460 1282029667 /nfs/dbraw/zinc/02/96/67/1282029667.db2.gz DJSYNUGSTAZMIC-SNVBAGLBSA-N -1 1 350.360 0.996 20 5 FCBDMM C[C@@H](C(=O)OCCc1ccc([N+](=O)[O-])cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001589029461 1282778175 /nfs/dbraw/zinc/77/81/75/1282778175.db2.gz BEDBDDHUSJMJAQ-VIFPVBQESA-N -1 1 358.318 0.713 20 5 FCBDMM C[C@H](CC(C)(C)O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001589795030 1283011093 /nfs/dbraw/zinc/01/10/93/1283011093.db2.gz BQIFCHJTTIEFMV-MRVPVSSYSA-N -1 1 370.391 0.603 20 5 FCBDMM C[C@H](CC(C)(C)O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001589795030 1283011105 /nfs/dbraw/zinc/01/11/05/1283011105.db2.gz BQIFCHJTTIEFMV-MRVPVSSYSA-N -1 1 370.391 0.603 20 5 FCBDMM C[C@@H](CC(C)(C)O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001589795031 1283011927 /nfs/dbraw/zinc/01/19/27/1283011927.db2.gz BQIFCHJTTIEFMV-QMMMGPOBSA-N -1 1 370.391 0.603 20 5 FCBDMM C[C@@H](CC(C)(C)O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001589795031 1283011941 /nfs/dbraw/zinc/01/19/41/1283011941.db2.gz BQIFCHJTTIEFMV-QMMMGPOBSA-N -1 1 370.391 0.603 20 5 FCBDMM C[C@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CCO1 ZINC001590206821 1283324535 /nfs/dbraw/zinc/32/45/35/1283324535.db2.gz LUCMFJBSOFUEDS-DTWKUNHWSA-N -1 1 368.375 0.621 20 5 FCBDMM C[C@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CCO1 ZINC001590206821 1283324546 /nfs/dbraw/zinc/32/45/46/1283324546.db2.gz LUCMFJBSOFUEDS-DTWKUNHWSA-N -1 1 368.375 0.621 20 5 FCBDMM C/C=C/C[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590353661 1283496598 /nfs/dbraw/zinc/49/65/98/1283496598.db2.gz PTBZIJJJNUOAII-GKQMSVHHSA-N -1 1 368.375 0.380 20 5 FCBDMM C/C=C/C[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590353661 1283496608 /nfs/dbraw/zinc/49/66/08/1283496608.db2.gz PTBZIJJJNUOAII-GKQMSVHHSA-N -1 1 368.375 0.380 20 5 FCBDMM CCN1C(=O)[C@H]2CN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CCN2C1=O ZINC001590727691 1283751944 /nfs/dbraw/zinc/75/19/44/1283751944.db2.gz PFZLKEADXWWGQM-GFCCVEGCSA-N -1 1 372.345 0.248 20 5 FCBDMM CCc1nn(Cc2cn(C)nc2[N+](=O)[O-])c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929710 1283978632 /nfs/dbraw/zinc/97/86/32/1283978632.db2.gz OBNKIAHUBXNRCW-UHFFFAOYSA-N -1 1 359.350 0.238 20 5 FCBDMM CN(C(=O)Cn1cccc(-c2nn[n-]n2)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC001590986390 1284045930 /nfs/dbraw/zinc/04/59/30/1284045930.db2.gz SJJQBWMTKDWXTP-UHFFFAOYSA-N -1 1 355.314 0.600 20 5 FCBDMM COC(=O)c1cc(C2CN(c3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)[nH]n1 ZINC001591288036 1284446372 /nfs/dbraw/zinc/44/63/72/1284446372.db2.gz WKZDIWAWAZAJEQ-UHFFFAOYSA-N -1 1 370.329 0.888 20 5 FCBDMM COC(=O)c1cc(C2CN(c3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)[nH]n1 ZINC001591288036 1284446378 /nfs/dbraw/zinc/44/63/78/1284446378.db2.gz WKZDIWAWAZAJEQ-UHFFFAOYSA-N -1 1 370.329 0.888 20 5 FCBDMM COCC1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCC1 ZINC001591391081 1284530176 /nfs/dbraw/zinc/53/01/76/1284530176.db2.gz XADFBOXFTOSLJI-UHFFFAOYSA-N -1 1 368.375 0.622 20 5 FCBDMM COCOCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591451896 1284614638 /nfs/dbraw/zinc/61/46/38/1284614638.db2.gz IOGIEFLTOCRILM-UHFFFAOYSA-N -1 1 372.363 0.064 20 5 FCBDMM COCOCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591451896 1284614646 /nfs/dbraw/zinc/61/46/46/1284614646.db2.gz IOGIEFLTOCRILM-UHFFFAOYSA-N -1 1 372.363 0.064 20 5 FCBDMM COc1ccc(NC(=O)Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)c(OC)c1 ZINC001591609896 1284771645 /nfs/dbraw/zinc/77/16/45/1284771645.db2.gz ZIIVBIGWIXAHIJ-UHFFFAOYSA-N -1 1 374.317 0.627 20 5 FCBDMM CS(=O)(=O)N1CC[C@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001591680864 1284820156 /nfs/dbraw/zinc/82/01/56/1284820156.db2.gz SLQUVVRVQBSHKP-SECBINFHSA-N -1 1 367.391 0.468 20 5 FCBDMM CS(=O)(=O)N1CC[C@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001591680864 1284820159 /nfs/dbraw/zinc/82/01/59/1284820159.db2.gz SLQUVVRVQBSHKP-SECBINFHSA-N -1 1 367.391 0.468 20 5 FCBDMM Cc1cc(N[C@@H]2CCCN(CCO)C2=O)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592038192 1285081288 /nfs/dbraw/zinc/08/12/88/1285081288.db2.gz XZMCGRKAPKYLTJ-GFCCVEGCSA-N -1 1 361.362 0.479 20 5 FCBDMM Cc1cc(N[C@@H]2CCCN(CCO)C2=O)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592038192 1285081291 /nfs/dbraw/zinc/08/12/91/1285081291.db2.gz XZMCGRKAPKYLTJ-GFCCVEGCSA-N -1 1 361.362 0.479 20 5 FCBDMM Cc1cc(NCCCn2cc(CO)nn2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592048429 1285092283 /nfs/dbraw/zinc/09/22/83/1285092283.db2.gz BNNJEJTVCILIJL-UHFFFAOYSA-N -1 1 359.350 0.669 20 5 FCBDMM Cc1cc(NCCCn2cc(CO)nn2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592048429 1285092291 /nfs/dbraw/zinc/09/22/91/1285092291.db2.gz BNNJEJTVCILIJL-UHFFFAOYSA-N -1 1 359.350 0.669 20 5 FCBDMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)O[C@H](C)C[N+](=O)[O-])CC2)o1 ZINC001592339230 1285248984 /nfs/dbraw/zinc/24/89/84/1285248984.db2.gz YRCVMUNLCHDGPA-MRVPVSSYSA-N -1 1 365.350 0.588 20 5 FCBDMM Cc1nc2n(n1)C[C@@H](Nc1cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c1)CC2 ZINC001592404774 1285315038 /nfs/dbraw/zinc/31/50/38/1285315038.db2.gz FNRVGOUSWIRFLH-QMMMGPOBSA-N -1 1 356.350 0.684 20 5 FCBDMM Cc1nc2n(n1)C[C@@H](Nc1cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c1)CC2 ZINC001592404774 1285315052 /nfs/dbraw/zinc/31/50/52/1285315052.db2.gz FNRVGOUSWIRFLH-QMMMGPOBSA-N -1 1 356.350 0.684 20 5 FCBDMM Cc1nn(-c2ccccc2)c(Cn2ncc([N+](=O)[O-])n2)c1-c1nn[n-]n1 ZINC001592426921 1285355258 /nfs/dbraw/zinc/35/52/58/1285355258.db2.gz AXSJUINZWKNERV-UHFFFAOYSA-N -1 1 352.318 0.909 20 5 FCBDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001604788982 1287780975 /nfs/dbraw/zinc/78/09/75/1287780975.db2.gz SWEYZTJRMWFJED-NHYWBVRUSA-N -1 1 351.359 0.636 20 5 FCBDMM Nc1cc(N2CCC[C@H](N3CCNC3=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760305 1285680725 /nfs/dbraw/zinc/68/07/25/1285680725.db2.gz WNRLXGNWOMLALI-VIFPVBQESA-N -1 1 373.377 0.351 20 5 FCBDMM Nc1cc(N2CCC[C@H](N3CCNC3=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760305 1285680731 /nfs/dbraw/zinc/68/07/31/1285680731.db2.gz WNRLXGNWOMLALI-VIFPVBQESA-N -1 1 373.377 0.351 20 5 FCBDMM Nc1cc(NCc2ncc3c(n2)CCOC3)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759716 1285682518 /nfs/dbraw/zinc/68/25/18/1285682518.db2.gz UDFAOARJSLNJPG-UHFFFAOYSA-N -1 1 369.345 0.832 20 5 FCBDMM Nc1cc(NCc2ncc3c(n2)CCOC3)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759716 1285682523 /nfs/dbraw/zinc/68/25/23/1285682523.db2.gz UDFAOARJSLNJPG-UHFFFAOYSA-N -1 1 369.345 0.832 20 5 FCBDMM CN(C)C(=O)[C@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)O1 ZINC001609263755 1289028213 /nfs/dbraw/zinc/02/82/13/1289028213.db2.gz XPQWKQMBVZMPDJ-GXFFZTMASA-N -1 1 361.362 0.823 20 5 FCBDMM O=C(CCc1cccc([N+](=O)[O-])c1)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001592851073 1285758363 /nfs/dbraw/zinc/75/83/63/1285758363.db2.gz RHNFQMLTPQZGHC-UHFFFAOYSA-N -1 1 357.334 0.115 20 5 FCBDMM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001592937574 1285827457 /nfs/dbraw/zinc/82/74/57/1285827457.db2.gz FDIGYDAZYCYGGW-UHFFFAOYSA-N -1 1 371.317 0.078 20 5 FCBDMM CN1C(=O)NCC12CCN(c1ccc(-c3nn[n-]n3)c([N+](=O)[O-])c1)CC2 ZINC001609282567 1289044658 /nfs/dbraw/zinc/04/46/58/1289044658.db2.gz GLRSWDBODFXRAJ-UHFFFAOYSA-N -1 1 358.362 0.769 20 5 FCBDMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001593146239 1286019331 /nfs/dbraw/zinc/01/93/31/1286019331.db2.gz LIGZVAILBTWVHW-UHFFFAOYSA-N -1 1 369.297 0.829 20 5 FCBDMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001593146239 1286019333 /nfs/dbraw/zinc/01/93/33/1286019333.db2.gz LIGZVAILBTWVHW-UHFFFAOYSA-N -1 1 369.297 0.829 20 5 FCBDMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001593339044 1286083644 /nfs/dbraw/zinc/08/36/44/1286083644.db2.gz LVSARYCGVOKTGQ-UHFFFAOYSA-N -1 1 370.329 0.725 20 5 FCBDMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001593339044 1286083651 /nfs/dbraw/zinc/08/36/51/1286083651.db2.gz LVSARYCGVOKTGQ-UHFFFAOYSA-N -1 1 370.329 0.725 20 5 FCBDMM O=C1NC(=O)[C@]2(CCC[C@H]2CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)N1 ZINC001593401169 1286121138 /nfs/dbraw/zinc/12/11/38/1286121138.db2.gz HPQLJJKJLPVEMJ-VXJOIVPMSA-N -1 1 372.345 0.565 20 5 FCBDMM O=C1NC(=O)[C@]2(CCC[C@H]2CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])N1 ZINC001593401106 1286122078 /nfs/dbraw/zinc/12/20/78/1286122078.db2.gz GNYCTQCEDLGQKZ-VXJOIVPMSA-N -1 1 372.345 0.565 20 5 FCBDMM O=C1NC(=O)[C@]2(CCC[C@H]2CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])N1 ZINC001593401106 1286122082 /nfs/dbraw/zinc/12/20/82/1286122082.db2.gz GNYCTQCEDLGQKZ-VXJOIVPMSA-N -1 1 372.345 0.565 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(C2(O)CCOCC2)CC1 ZINC001593465512 1286170826 /nfs/dbraw/zinc/17/08/26/1286170826.db2.gz QTRHHWVNNHFCPU-UHFFFAOYSA-N -1 1 361.362 0.904 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(C2(O)CCOCC2)CC1 ZINC001593465512 1286170832 /nfs/dbraw/zinc/17/08/32/1286170832.db2.gz QTRHHWVNNHFCPU-UHFFFAOYSA-N -1 1 361.362 0.904 20 5 FCBDMM O=c1[nH]c(=O)n(C2CN(c3ccsc3[N+](=O)[O-])C2)cc1-c1nn[n-]n1 ZINC001593488603 1286178273 /nfs/dbraw/zinc/17/82/73/1286178273.db2.gz OQIFXLYGSZZBRT-UHFFFAOYSA-N -1 1 362.331 0.160 20 5 FCBDMM O=c1ccc(-c2nn[n-]n2)cn1Cc1cc([N+](=O)[O-])cc2c1OCOC2 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CC(C)[C@@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824193323 607635387 /nfs/dbraw/zinc/63/53/87/607635387.db2.gz WWOZJVOJIHDIPY-ZDUSSCGKSA-N -1 1 370.391 0.460 20 5 FCBDMM COCC1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000826152702 607675129 /nfs/dbraw/zinc/67/51/29/607675129.db2.gz KKRZNVFZMZARID-UHFFFAOYSA-N -1 1 354.348 0.232 20 5 FCBDMM CC(C)c1[nH]nc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])c1[N+](=O)[O-] ZINC000827097050 604894719 /nfs/dbraw/zinc/89/47/19/604894719.db2.gz ADZHLXHKBCZVNS-UHFFFAOYSA-N -1 1 369.378 0.300 20 5 FCBDMM CCc1nn(CCn2cc([N+](=O)[O-])cn2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821517371 606043376 /nfs/dbraw/zinc/04/33/76/606043376.db2.gz IOFQZGJMWFUUHL-UHFFFAOYSA-N -1 1 359.350 0.353 20 5 FCBDMM CCc1nc2n(n1)C[C@H](Nc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC000821509748 606707893 /nfs/dbraw/zinc/70/78/93/606707893.db2.gz MUFQBORTEUHTJY-MRVPVSSYSA-N -1 1 356.350 0.751 20 5 FCBDMM CCc1nc2n(n1)C[C@H](Nc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC000821509748 606707894 /nfs/dbraw/zinc/70/78/94/606707894.db2.gz MUFQBORTEUHTJY-MRVPVSSYSA-N -1 1 356.350 0.751 20 5 FCBDMM Cn1cc([C@@]2(C)CN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CCO2)cn1 ZINC000822674110 606730127 /nfs/dbraw/zinc/73/01/27/606730127.db2.gz LMJPUONLGQHYRT-OAHLLOKOSA-N -1 1 371.361 0.655 20 5 FCBDMM Cn1cc([C@@]2(C)CN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CCO2)cn1 ZINC000822674110 606730129 /nfs/dbraw/zinc/73/01/29/606730129.db2.gz LMJPUONLGQHYRT-OAHLLOKOSA-N -1 1 371.361 0.655 20 5 FCBDMM CC[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000820994709 606730286 /nfs/dbraw/zinc/73/02/86/606730286.db2.gz KJAKJEYZMPNQTP-VIFPVBQESA-N -1 1 368.375 0.574 20 5 FCBDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000820803759 606806793 /nfs/dbraw/zinc/80/67/93/606806793.db2.gz GWGINOVFHPNQGN-SECBINFHSA-N -1 1 371.365 0.014 20 5 FCBDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000820803759 606806794 /nfs/dbraw/zinc/80/67/94/606806794.db2.gz GWGINOVFHPNQGN-SECBINFHSA-N -1 1 371.365 0.014 20 5 FCBDMM C[C@H]1OCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@H]1C ZINC000820819477 607004790 /nfs/dbraw/zinc/00/47/90/607004790.db2.gz IYZIFVKNGKKOHR-DTWKUNHWSA-N -1 1 368.375 0.573 20 5 FCBDMM C[C@]1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCOC1 ZINC000824838169 607906830 /nfs/dbraw/zinc/90/68/30/607906830.db2.gz MUKWWJANSQQIHB-LBPRGKRZSA-N -1 1 354.348 0.232 20 5 FCBDMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826395309 608011797 /nfs/dbraw/zinc/01/17/97/608011797.db2.gz WGEQTAIMCCHRSR-UHFFFAOYSA-N -1 1 353.302 0.918 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]CCNC(=O)OC(C)(C)C)c([N+](=O)[O-])n1 ZINC000754792234 666844681 /nfs/dbraw/zinc/84/46/81/666844681.db2.gz JWSRIVQXHVFYDC-UHFFFAOYSA-N -1 1 363.396 0.614 20 5 FCBDMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756989668 667694386 /nfs/dbraw/zinc/69/43/86/667694386.db2.gz CORZEWGUAWUXRZ-UHFFFAOYSA-N -1 1 352.734 0.805 20 5 FCBDMM CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000763205780 667945746 /nfs/dbraw/zinc/94/57/46/667945746.db2.gz FZHLKXAOFMPKIM-GFCCVEGCSA-N -1 1 350.324 0.326 20 5 FCBDMM Cn1[n-]c(COC(=O)CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1=O ZINC000765413137 668006101 /nfs/dbraw/zinc/00/61/01/668006101.db2.gz IGNWRSICIUKWJA-UHFFFAOYSA-N -1 1 369.721 0.143 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]CCc2nnc3ccccn32)c([N+](=O)[O-])n1 ZINC000772648320 668319536 /nfs/dbraw/zinc/31/95/36/668319536.db2.gz DRFROZWYQHEAJA-UHFFFAOYSA-N -1 1 365.375 0.375 20 5 FCBDMM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)[C@@H]1CC1[N+](=O)[O-] ZINC000842341820 670670830 /nfs/dbraw/zinc/67/08/30/670670830.db2.gz AIOJJFRRHIQIKT-ZYHUDNBSSA-N -1 1 353.356 0.432 20 5 FCBDMM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842360418 670677683 /nfs/dbraw/zinc/67/76/83/670677683.db2.gz IVDMVAPLBFORMQ-PSASIEDQSA-N -1 1 358.332 0.497 20 5 FCBDMM CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000854716754 671597389 /nfs/dbraw/zinc/59/73/89/671597389.db2.gz ZBBUQVVVRQALSX-SECBINFHSA-N -1 1 356.335 0.311 20 5 FCBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(=O)c2[nH]nc3c2CCCCC3)n1 ZINC000861326605 671953842 /nfs/dbraw/zinc/95/38/42/671953842.db2.gz LYCBKGMGZNSUDJ-UHFFFAOYSA-N -1 1 368.375 0.439 20 5 FCBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)n1 ZINC000863406541 672121355 /nfs/dbraw/zinc/12/13/55/672121355.db2.gz GGVFFOHXNBHQDS-LLVKDONJSA-N -1 1 368.371 0.693 20 5 FCBDMM C[C@@H](CC(N)=O)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000135103255 673463910 /nfs/dbraw/zinc/46/39/10/673463910.db2.gz RERVAVFVXYHRAY-LURJTMIESA-N -1 1 366.193 0.900 20 5 FCBDMM CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000816497495 1203069780 /nfs/dbraw/zinc/06/97/80/1203069780.db2.gz FOYRUEPPSYVEQX-UHFFFAOYSA-N -1 1 368.346 0.407 20 5 FCBDMM O=C([O-])c1cn([C@@H]2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)nn1 ZINC000818315769 1203137540 /nfs/dbraw/zinc/13/75/40/1203137540.db2.gz ALBULPSQRQVGEO-SECBINFHSA-N -1 1 371.313 0.848 20 5 FCBDMM Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000777360077 1210994014 /nfs/dbraw/zinc/99/40/14/1210994014.db2.gz RKZWNCVUYVEXAZ-UHFFFAOYSA-N -1 1 357.326 0.963 20 5 FCBDMM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cc(=O)[n-]c(N2CCOCC2)n1 ZINC001226722225 1225853249 /nfs/dbraw/zinc/85/32/49/1225853249.db2.gz MHVBRTUUWUZFMX-SNVBAGLBSA-N -1 1 364.362 0.899 20 5 FCBDMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000726870773 1219657826 /nfs/dbraw/zinc/65/78/26/1219657826.db2.gz AVIVLMXFJOMLMJ-UHFFFAOYSA-N -1 1 373.369 0.184 20 5 FCBDMM CCOC(=O)c1ccnc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)c1[N+](=O)[O-] ZINC001159194633 1223120629 /nfs/dbraw/zinc/12/06/29/1223120629.db2.gz GXRWWHNZLOADKT-UHFFFAOYSA-N -1 1 361.274 0.939 20 5 FCBDMM O=C([O-])c1cc(N2CCC(O)(CN3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC001332519020 1266422389 /nfs/dbraw/zinc/42/23/89/1266422389.db2.gz BYEMGEPUXCRIRU-UHFFFAOYSA-N -1 1 365.386 0.957 20 5 FCBDMM C[C@@]1(C2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)COC(=O)N1 ZINC001575752590 1272415916 /nfs/dbraw/zinc/41/59/16/1272415916.db2.gz OOJFSKLQAGGPSC-HNNXBMFYSA-N -1 1 374.361 0.885 20 5 FCBDMM C[C@@]1(C2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)COC(=O)N1 ZINC001575752590 1272415922 /nfs/dbraw/zinc/41/59/22/1272415922.db2.gz OOJFSKLQAGGPSC-HNNXBMFYSA-N -1 1 374.361 0.885 20 5 FCBDMM C[C@H]1CC(=O)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001575940220 1272571696 /nfs/dbraw/zinc/57/16/96/1272571696.db2.gz XLNGFSRVLPKJSE-QMMMGPOBSA-N -1 1 366.359 0.517 20 5 FCBDMM COCC[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001579775795 1277905496 /nfs/dbraw/zinc/90/54/96/1277905496.db2.gz FQFVPOXFNBAZJU-SECBINFHSA-N -1 1 370.391 0.726 20 5 FCBDMM COCC[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001579775795 1277905499 /nfs/dbraw/zinc/90/54/99/1277905499.db2.gz FQFVPOXFNBAZJU-SECBINFHSA-N -1 1 370.391 0.726 20 5 FCBDMM CC(C)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])CS(C)(=O)=O ZINC001603150962 1287315203 /nfs/dbraw/zinc/31/52/03/1287315203.db2.gz AHRGBOLCCGPMAJ-UHFFFAOYSA-N -1 1 355.380 0.653 20 5 FCBDMM CC(C)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])CS(C)(=O)=O ZINC001603150962 1287315207 /nfs/dbraw/zinc/31/52/07/1287315207.db2.gz AHRGBOLCCGPMAJ-UHFFFAOYSA-N -1 1 355.380 0.653 20 5 FCBDMM CC(C)COC[C@@H](O)CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603303764 1287351494 /nfs/dbraw/zinc/35/14/94/1287351494.db2.gz SSLMGGFTTGOYMG-JTQLQIEISA-N -1 1 351.367 0.803 20 5 FCBDMM CC(C)COC[C@@H](O)CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603303764 1287351499 /nfs/dbraw/zinc/35/14/99/1287351499.db2.gz SSLMGGFTTGOYMG-JTQLQIEISA-N -1 1 351.367 0.803 20 5 FCBDMM Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)n1 ZINC001581776876 1280493917 /nfs/dbraw/zinc/49/39/17/1280493917.db2.gz ZLNJXEINBOFNLM-UHFFFAOYSA-N -1 1 355.727 0.871 20 5 FCBDMM CC(=O)N1CCN(CCNc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001588822408 1282710101 /nfs/dbraw/zinc/71/01/01/1282710101.db2.gz ALTVTHISHZSHMJ-UHFFFAOYSA-N -1 1 374.405 0.659 20 5 FCBDMM C[C@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)c1ccccc1[N+](=O)[O-] ZINC001589002882 1282764352 /nfs/dbraw/zinc/76/43/52/1282764352.db2.gz FYZQDVJQCLVWKF-IUCAKERBSA-N -1 1 357.334 0.805 20 5 FCBDMM C[C@H](CCO)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001589833910 1283072633 /nfs/dbraw/zinc/07/26/33/1283072633.db2.gz HWYAASUXCGYRMK-VIFPVBQESA-N -1 1 370.391 0.462 20 5 FCBDMM CC1(C)SC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590119285 1283226481 /nfs/dbraw/zinc/22/64/81/1283226481.db2.gz ZUXDDMGJELQRSI-SNVBAGLBSA-N -1 1 370.416 0.947 20 5 FCBDMM CC1(C)SC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590119285 1283226487 /nfs/dbraw/zinc/22/64/87/1283226487.db2.gz ZUXDDMGJELQRSI-SNVBAGLBSA-N -1 1 370.416 0.947 20 5 FCBDMM C[C@@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CO1 ZINC001590206786 1283326101 /nfs/dbraw/zinc/32/61/01/1283326101.db2.gz LBEKSJRFJPRKMV-SFYZADRCSA-N -1 1 354.348 0.231 20 5 FCBDMM C[C@@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CO1 ZINC001590206786 1283326110 /nfs/dbraw/zinc/32/61/10/1283326110.db2.gz LBEKSJRFJPRKMV-SFYZADRCSA-N -1 1 354.348 0.231 20 5 FCBDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC001590318040 1283464021 /nfs/dbraw/zinc/46/40/21/1283464021.db2.gz ICTZYMRCSDBQQS-VIFPVBQESA-N -1 1 369.349 0.070 20 5 FCBDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC001590318040 1283464023 /nfs/dbraw/zinc/46/40/23/1283464023.db2.gz ICTZYMRCSDBQQS-VIFPVBQESA-N -1 1 369.349 0.070 20 5 FCBDMM C[C@@H]1COCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C1 ZINC001590324717 1283468993 /nfs/dbraw/zinc/46/89/93/1283468993.db2.gz CHTIFPFZHBQYHR-VIFPVBQESA-N -1 1 368.375 0.432 20 5 FCBDMM C[C@@H]1COCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)C1 ZINC001590324717 1283468997 /nfs/dbraw/zinc/46/89/97/1283468997.db2.gz CHTIFPFZHBQYHR-VIFPVBQESA-N -1 1 368.375 0.432 20 5 FCBDMM C[C@@H]1CSC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590330014 1283473100 /nfs/dbraw/zinc/47/31/00/1283473100.db2.gz UUNSZPVSPLOEKZ-XCBNKYQSSA-N -1 1 370.416 0.805 20 5 FCBDMM C[C@@H]1CSC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590330014 1283473106 /nfs/dbraw/zinc/47/31/06/1283473106.db2.gz UUNSZPVSPLOEKZ-XCBNKYQSSA-N -1 1 370.416 0.805 20 5 FCBDMM CCNS(=O)(=O)[C@@H]1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001590745394 1283797983 /nfs/dbraw/zinc/79/79/83/1283797983.db2.gz QHVYJJHVSCZASZ-SSDOTTSWSA-N -1 1 373.420 0.354 20 5 FCBDMM CCNS(=O)(=O)[C@@H]1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001590745394 1283797991 /nfs/dbraw/zinc/79/79/91/1283797991.db2.gz QHVYJJHVSCZASZ-SSDOTTSWSA-N -1 1 373.420 0.354 20 5 FCBDMM CCc1nn(Cc2onc(C)c2[N+](=O)[O-])c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929781 1283978763 /nfs/dbraw/zinc/97/87/63/1283978763.db2.gz UYNWNGGIJCPXSH-UHFFFAOYSA-N -1 1 360.334 0.801 20 5 FCBDMM CN(C)C(=O)N[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001591003784 1284065556 /nfs/dbraw/zinc/06/55/56/1284065556.db2.gz XUDHIYQLZMBDIW-SECBINFHSA-N -1 1 361.366 0.410 20 5 FCBDMM CN(C)C(=O)N[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001591003784 1284065565 /nfs/dbraw/zinc/06/55/65/1284065565.db2.gz XUDHIYQLZMBDIW-SECBINFHSA-N -1 1 361.366 0.410 20 5 FCBDMM COC(=O)C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001591270422 1284423869 /nfs/dbraw/zinc/42/38/69/1284423869.db2.gz SUKJAUSSGXVCFB-ZETCQYMHSA-N -1 1 370.347 0.005 20 5 FCBDMM COC(C)(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591317481 1284465502 /nfs/dbraw/zinc/46/55/02/1284465502.db2.gz ZRFZWHRPJLWOMI-UHFFFAOYSA-N -1 1 370.391 0.868 20 5 FCBDMM COC(C)(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591317481 1284465505 /nfs/dbraw/zinc/46/55/05/1284465505.db2.gz ZRFZWHRPJLWOMI-UHFFFAOYSA-N -1 1 370.391 0.868 20 5 FCBDMM COc1cccc(CN(C)C(=O)Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)c1 ZINC001591638312 1284776213 /nfs/dbraw/zinc/77/62/13/1284776213.db2.gz UYUODCZPEZEOHV-UHFFFAOYSA-N -1 1 372.345 0.639 20 5 FCBDMM CS(=O)(=O)N1CCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001591677866 1284815367 /nfs/dbraw/zinc/81/53/67/1284815367.db2.gz YOZPPSISMHWNMK-UHFFFAOYSA-N -1 1 367.391 0.247 20 5 FCBDMM CS(=O)(=O)N1CCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001591677866 1284815378 /nfs/dbraw/zinc/81/53/78/1284815378.db2.gz YOZPPSISMHWNMK-UHFFFAOYSA-N -1 1 367.391 0.247 20 5 FCBDMM CSC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC001591688477 1284830602 /nfs/dbraw/zinc/83/06/02/1284830602.db2.gz WHUXXOJERYIFDH-UHFFFAOYSA-N -1 1 370.416 0.949 20 5 FCBDMM C[C@H]1[C@@H](O)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591775601 1284897115 /nfs/dbraw/zinc/89/71/15/1284897115.db2.gz DPWKLIWIVXFRHK-KWQFWETISA-N -1 1 368.375 0.309 20 5 FCBDMM C[C@H]1[C@@H](O)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591775601 1284897125 /nfs/dbraw/zinc/89/71/25/1284897125.db2.gz DPWKLIWIVXFRHK-KWQFWETISA-N -1 1 368.375 0.309 20 5 FCBDMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)nn1C ZINC001591797361 1284913309 /nfs/dbraw/zinc/91/33/09/1284913309.db2.gz JYDBKKSLUPBUBR-UHFFFAOYSA-N -1 1 372.301 0.798 20 5 FCBDMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)nn1C ZINC001591797361 1284913314 /nfs/dbraw/zinc/91/33/14/1284913314.db2.gz JYDBKKSLUPBUBR-UHFFFAOYSA-N -1 1 372.301 0.798 20 5 FCBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1c(-c2nn[nH]n2)cnn1C ZINC001591830116 1284932788 /nfs/dbraw/zinc/93/27/88/1284932788.db2.gz IENLOZFGFOUXEI-UHFFFAOYSA-N -1 1 364.347 0.618 20 5 FCBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cncc(-c2nn[n-]n2)c1=O ZINC001592197418 1285179918 /nfs/dbraw/zinc/17/99/18/1285179918.db2.gz KDXZUSGFZLBZJM-UHFFFAOYSA-N -1 1 356.302 0.279 20 5 FCBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(-c2nn[nH]n2)cnn1C ZINC001592197983 1285180745 /nfs/dbraw/zinc/18/07/45/1285180745.db2.gz QAGHMMNDIPQDCW-UHFFFAOYSA-N -1 1 364.347 0.618 20 5 FCBDMM Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001592399813 1285311234 /nfs/dbraw/zinc/31/12/34/1285311234.db2.gz UYMRKTRHUKRFGH-UHFFFAOYSA-N -1 1 357.334 0.728 20 5 FCBDMM Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001592399813 1285311247 /nfs/dbraw/zinc/31/12/47/1285311247.db2.gz UYMRKTRHUKRFGH-UHFFFAOYSA-N -1 1 357.334 0.728 20 5 FCBDMM NC(=O)c1cccc2c1CCN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])C2 ZINC001592737746 1285651920 /nfs/dbraw/zinc/65/19/20/1285651920.db2.gz ORKXGGZDKWSDFL-UHFFFAOYSA-N -1 1 366.341 0.832 20 5 FCBDMM NC(=O)c1cccc2c1CCN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])C2 ZINC001592737746 1285651926 /nfs/dbraw/zinc/65/19/26/1285651926.db2.gz ORKXGGZDKWSDFL-UHFFFAOYSA-N -1 1 366.341 0.832 20 5 FCBDMM Nc1cc(N2CCC(O)(C(F)F)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759883 1285681151 /nfs/dbraw/zinc/68/11/51/1285681151.db2.gz JPHINEQTZCKOMZ-UHFFFAOYSA-N -1 1 355.305 0.954 20 5 FCBDMM Nc1cc(N2CCC(O)(C(F)F)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759883 1285681156 /nfs/dbraw/zinc/68/11/56/1285681156.db2.gz JPHINEQTZCKOMZ-UHFFFAOYSA-N -1 1 355.305 0.954 20 5 FCBDMM CN(C)C(=O)[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)O1 ZINC001609263757 1289028037 /nfs/dbraw/zinc/02/80/37/1289028037.db2.gz XPQWKQMBVZMPDJ-ZWNOBZJWSA-N -1 1 361.362 0.823 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)Nc1ccc2c(c1)OCCO2 ZINC001592937633 1285826801 /nfs/dbraw/zinc/82/68/01/1285826801.db2.gz ILHLUJQBMSMREA-UHFFFAOYSA-N -1 1 372.301 0.381 20 5 FCBDMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2cc(F)ccc2[N+](=O)[O-])c1 ZINC001609302171 1289075379 /nfs/dbraw/zinc/07/53/79/1289075379.db2.gz XGJBOIKXFGEWSJ-UHFFFAOYSA-N -1 1 374.288 0.911 20 5 FCBDMM O=C([O-])c1ccnc(N2CCC(O)(CN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001602480816 1287008370 /nfs/dbraw/zinc/00/83/70/1287008370.db2.gz ZRESHQBTYXIRFE-UHFFFAOYSA-N -1 1 366.374 0.352 20 5 FCBDMM C[C@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])n1cnc(-c2nn[n-]n2)n1 ZINC001602988013 1287175765 /nfs/dbraw/zinc/17/57/65/1287175765.db2.gz ANUNCGPSSFQKKU-SNVBAGLBSA-N -1 1 371.361 0.629 20 5 FCBDMM CNS(=O)(=O)C[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604893830 1287809392 /nfs/dbraw/zinc/80/93/92/1287809392.db2.gz WTZXFBAQHXHXSS-JTQLQIEISA-N -1 1 367.391 0.293 20 5 FCBDMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001604964480 1287823313 /nfs/dbraw/zinc/82/33/13/1287823313.db2.gz QZXVEGMYFBHWKU-UHFFFAOYSA-N -1 1 356.298 0.772 20 5 FCBDMM COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001604968342 1287824632 /nfs/dbraw/zinc/82/46/32/1287824632.db2.gz XKOFUEXBBUNSAZ-UHFFFAOYSA-N -1 1 357.286 0.167 20 5 FCBDMM COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001604968342 1287824638 /nfs/dbraw/zinc/82/46/38/1287824638.db2.gz XKOFUEXBBUNSAZ-UHFFFAOYSA-N -1 1 357.286 0.167 20 5 FCBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001609428225 1289147119 /nfs/dbraw/zinc/14/71/19/1289147119.db2.gz NRLFKYAOWFDUQB-UHFFFAOYSA-N -1 1 372.349 0.805 20 5 FCBDMM CN1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H](C(=O)[O-])C1 ZINC001606236489 1288224255 /nfs/dbraw/zinc/22/42/55/1288224255.db2.gz ZYWBMFDDECIDET-SECBINFHSA-N -1 1 351.315 0.412 20 5 FCBDMM Cn1cnnc1N1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001606268539 1288244991 /nfs/dbraw/zinc/24/49/91/1288244991.db2.gz BUVZGKJMYBKKDY-UHFFFAOYSA-N -1 1 356.350 0.230 20 5 FCBDMM Cn1cnnc1N1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001606268539 1288244995 /nfs/dbraw/zinc/24/49/95/1288244995.db2.gz BUVZGKJMYBKKDY-UHFFFAOYSA-N -1 1 356.350 0.230 20 5 FCBDMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001606844176 1288538106 /nfs/dbraw/zinc/53/81/06/1288538106.db2.gz AAYWKGDXGOQZAQ-LLVKDONJSA-N -1 1 361.343 0.581 20 5 FCBDMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001606844176 1288538107 /nfs/dbraw/zinc/53/81/07/1288538107.db2.gz AAYWKGDXGOQZAQ-LLVKDONJSA-N -1 1 361.343 0.581 20 5 FCBDMM O=C1NCC2(CCOCC2)[C@@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001607049571 1288618457 /nfs/dbraw/zinc/61/84/57/1288618457.db2.gz GMKHUESNIOBZPX-SECBINFHSA-N -1 1 365.375 0.544 20 5 FCBDMM O=C1NCC2(CCOCC2)[C@@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001607049571 1288618461 /nfs/dbraw/zinc/61/84/61/1288618461.db2.gz GMKHUESNIOBZPX-SECBINFHSA-N -1 1 365.375 0.544 20 5 FCBDMM O=[N+]([O-])c1cc(NCCS(=O)(=O)NC2CC2)ccc1-c1nn[n-]n1 ZINC001607079301 1288649890 /nfs/dbraw/zinc/64/98/90/1288649890.db2.gz FSYDASACIVPLBO-UHFFFAOYSA-N -1 1 353.364 0.269 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)N[C@]23C[C@H]2CCC3)c1 ZINC001607082380 1288651665 /nfs/dbraw/zinc/65/16/65/1288651665.db2.gz NZDPVWGIDBVNRO-AMIZOPFISA-N -1 1 350.360 0.996 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)N[C@]23C[C@H]2CCC3)c1 ZINC001607082380 1288651669 /nfs/dbraw/zinc/65/16/69/1288651669.db2.gz NZDPVWGIDBVNRO-AMIZOPFISA-N -1 1 350.360 0.996 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)N[C@H]2CC[C@H](O)CC2)c1 ZINC001607081894 1288652761 /nfs/dbraw/zinc/65/27/61/1288652761.db2.gz KHCPIUKQFFONQB-CZMCAQCFSA-N -1 1 368.375 0.357 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)N[C@H]2CC[C@H](O)CC2)c1 ZINC001607081894 1288652766 /nfs/dbraw/zinc/65/27/66/1288652766.db2.gz KHCPIUKQFFONQB-CZMCAQCFSA-N -1 1 368.375 0.357 20 5 FCBDMM O=[N+]([O-])c1ncccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001607085376 1288653559 /nfs/dbraw/zinc/65/35/59/1288653559.db2.gz ABNOWJSAMCKMDW-UHFFFAOYSA-N -1 1 354.329 0.999 20 5 FCBDMM O=[N+]([O-])c1ncccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001607085376 1288653566 /nfs/dbraw/zinc/65/35/66/1288653566.db2.gz ABNOWJSAMCKMDW-UHFFFAOYSA-N -1 1 354.329 0.999 20 5 FCBDMM Cc1c(NC(=O)C(=O)N2CCNC(C)(C)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607535776 1288726193 /nfs/dbraw/zinc/72/61/93/1288726193.db2.gz WMZJMSTUQAEQPR-UHFFFAOYSA-N -1 1 364.358 0.750 20 5 FCBDMM CC(C)[C@@H](CO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001609087778 1288912948 /nfs/dbraw/zinc/91/29/48/1288912948.db2.gz FMPPAQFYSKACDA-SECBINFHSA-N -1 1 370.391 0.318 20 5 FCBDMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1cccc([N+](=O)[O-])c1 ZINC001609126385 1288934133 /nfs/dbraw/zinc/93/41/33/1288934133.db2.gz QPPVXPUFQHULGX-QMMMGPOBSA-N -1 1 372.345 0.345 20 5 FCBDMM Nc1cc(N2CCC(NC(=O)C3CC3)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609510855 1289190258 /nfs/dbraw/zinc/19/02/58/1289190258.db2.gz KJODHWCPTANXJU-UHFFFAOYSA-N -1 1 372.389 0.852 20 5 FCBDMM Nc1cc(N2CCC(NC(=O)C3CC3)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609510855 1289190259 /nfs/dbraw/zinc/19/02/59/1289190259.db2.gz KJODHWCPTANXJU-UHFFFAOYSA-N -1 1 372.389 0.852 20 5 FCBDMM Nc1cc(N2CCC(N3CCNC3=O)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609511035 1289190590 /nfs/dbraw/zinc/19/05/90/1289190590.db2.gz TVGFDUGROZXVIP-UHFFFAOYSA-N -1 1 373.377 0.351 20 5 FCBDMM Nc1cc(N2CCC(N3CCNC3=O)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609511035 1289190596 /nfs/dbraw/zinc/19/05/96/1289190596.db2.gz TVGFDUGROZXVIP-UHFFFAOYSA-N -1 1 373.377 0.351 20 5 FCBDMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21)N1CCCC1 ZINC001609537818 1289204500 /nfs/dbraw/zinc/20/45/00/1289204500.db2.gz UNIATDTVRBFTBM-UHFFFAOYSA-N -1 1 369.341 0.712 20 5 FCBDMM O=C1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCN1CC(F)(F)F ZINC001609589050 1289245760 /nfs/dbraw/zinc/24/57/60/1289245760.db2.gz BUYYOYWKRJERNQ-UHFFFAOYSA-N -1 1 371.279 0.986 20 5 FCBDMM O=C1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCN1CC(F)(F)F ZINC001609589050 1289245764 /nfs/dbraw/zinc/24/57/64/1289245764.db2.gz BUYYOYWKRJERNQ-UHFFFAOYSA-N -1 1 371.279 0.986 20 5 FCBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC[C@@H]2COCCOCCOCCO2)n1 ZINC001231263845 857357750 /nfs/dbraw/zinc/35/77/50/857357750.db2.gz NELDTMNXRSYWOI-LBPRGKRZSA-N -1 1 358.347 0.831 20 5 FCBDMM CC[C@H]1COCCN1CC[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC001309823895 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FQPBYOPUJAJJHH-JTQLQIEISA-N -1 1 365.342 0.454 20 5 FCBDMM C[C@H](NC(=O)c1ccc(N(C)CC2CN(C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593169977 994024157 /nfs/dbraw/zinc/02/41/57/994024157.db2.gz HRNSENQNFVJXIH-JTQLQIEISA-N -1 1 350.375 0.796 20 5 FCBDMM CN1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(=O)[O-])C[C@@H]21 ZINC001598626383 994101822 /nfs/dbraw/zinc/10/18/22/994101822.db2.gz ZQELOYBGTHQGDX-SKDRFNHKSA-N -1 1 355.372 0.618 20 5 FCBDMM C[C@](NCCN1CCCS1(=O)=O)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593268998 994596866 /nfs/dbraw/zinc/59/68/66/994596866.db2.gz YLDHUHSTEAAXJM-CQSZACIVSA-N -1 1 357.388 0.520 20 5 FCBDMM COC[C@@]1(CO)CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001599201403 997312116 /nfs/dbraw/zinc/31/21/16/997312116.db2.gz UKZPEWSUCSFDBS-INIZCTEOSA-N -1 1 354.359 0.889 20 5 FCBDMM CO[C@@H]1CCC[C@H]([C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C(=O)[O-])C1 ZINC001599110891 997565605 /nfs/dbraw/zinc/56/56/05/997565605.db2.gz BKJOAMXTMOFQEJ-HOSYDEDBSA-N -1 1 373.387 0.927 20 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RNZZGMKWRXAQBS-UHFFFAOYSA-N -1 1 350.375 0.650 20 5 FCBDMM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826424370 607529766 /nfs/dbraw/zinc/52/97/66/607529766.db2.gz JMFOICDPJJUNIX-UHFFFAOYSA-N -1 1 357.286 0.281 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826500302 607572704 /nfs/dbraw/zinc/57/27/04/607572704.db2.gz SSEGHEOYZZTBOI-MRVPVSSYSA-N -1 1 354.348 0.232 20 5 FCBDMM Cc1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)no1 ZINC000826266870 607597598 /nfs/dbraw/zinc/59/75/98/607597598.db2.gz FXSJIUSFOCDBIK-UHFFFAOYSA-N -1 1 365.331 0.550 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cocn2)c1-c1nn[n-]n1 ZINC000826500104 607613070 /nfs/dbraw/zinc/61/30/70/607613070.db2.gz LCXYYHLEMVEEIJ-UHFFFAOYSA-N -1 1 351.304 0.241 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H](CO)C2)c1-c1nn[n-]n1 ZINC000826500473 607623214 /nfs/dbraw/zinc/62/32/14/607623214.db2.gz ZKWOKCIBEUVQLH-VIFPVBQESA-N -1 1 368.375 0.168 20 5 FCBDMM C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C[C@H](C)O ZINC000824689537 607641396 /nfs/dbraw/zinc/64/13/96/607641396.db2.gz MHIUXPQODPSOOX-BDAKNGLRSA-N -1 1 370.391 0.460 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCCS2)c1-c1nn[n-]n1 ZINC000826500349 607670121 /nfs/dbraw/zinc/67/01/21/607670121.db2.gz VJVZCCBVFCMURK-MRVPVSSYSA-N -1 1 370.416 0.949 20 5 FCBDMM CCN1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000833655913 605397639 /nfs/dbraw/zinc/39/76/39/605397639.db2.gz HLCJNSHBJKGOIC-BXKDBHETSA-N -1 1 357.388 0.912 20 5 FCBDMM CC(C)C(=O)N[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820010638 606704957 /nfs/dbraw/zinc/70/49/57/606704957.db2.gz BFSFRMGVJBSKQK-SNVBAGLBSA-N -1 1 360.378 0.911 20 5 FCBDMM CC(C)C(=O)N[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820010638 606704958 /nfs/dbraw/zinc/70/49/58/606704958.db2.gz BFSFRMGVJBSKQK-SNVBAGLBSA-N -1 1 360.378 0.911 20 5 FCBDMM Cn1cc([C@H]2CN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CCO2)cn1 ZINC000822674535 606717573 /nfs/dbraw/zinc/71/75/73/606717573.db2.gz WRJCXUCBBJTORJ-LLVKDONJSA-N -1 1 357.334 0.481 20 5 FCBDMM Cn1cc([C@H]2CN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CCO2)cn1 ZINC000822674535 606717574 /nfs/dbraw/zinc/71/75/74/606717574.db2.gz WRJCXUCBBJTORJ-LLVKDONJSA-N -1 1 357.334 0.481 20 5 FCBDMM CC[C@@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821000295 606734398 /nfs/dbraw/zinc/73/43/98/606734398.db2.gz CGHMSPWYLLVLPQ-SECBINFHSA-N -1 1 368.375 0.574 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCC[C@H]2O)c1-c1nn[n-]n1 ZINC000826500102 607937836 /nfs/dbraw/zinc/93/78/36/607937836.db2.gz LBOJAZPCYYRAQR-WCBMZHEXSA-N -1 1 368.375 0.214 20 5 FCBDMM O=[N+]([O-])c1ccccc1N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826500667 607988053 /nfs/dbraw/zinc/98/80/53/607988053.db2.gz HMEVJYIVVXAETG-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1ccccc1N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826500667 607988054 /nfs/dbraw/zinc/98/80/54/607988054.db2.gz HMEVJYIVVXAETG-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM CC[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@@H]1O ZINC000825211044 608026309 /nfs/dbraw/zinc/02/63/09/608026309.db2.gz KMFNRGFYSUEDPR-SCZZXKLOSA-N -1 1 368.375 0.166 20 5 FCBDMM C[C@@]1(O)CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824844412 608344010 /nfs/dbraw/zinc/34/40/10/608344010.db2.gz XCNUPIAJLVFFQA-CYBMUJFWSA-N -1 1 368.375 0.310 20 5 FCBDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000825933824 608555132 /nfs/dbraw/zinc/55/51/32/608555132.db2.gz GUZLZMFXYFVZQM-UHFFFAOYSA-N -1 1 372.349 0.180 20 5 FCBDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000825933824 608555133 /nfs/dbraw/zinc/55/51/33/608555133.db2.gz GUZLZMFXYFVZQM-UHFFFAOYSA-N -1 1 372.349 0.180 20 5 FCBDMM CN(C)c1ncc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC000825883488 609555920 /nfs/dbraw/zinc/55/59/20/609555920.db2.gz 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O=C(COc1cccc([N+](=O)[O-])c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773153816 668075832 /nfs/dbraw/zinc/07/58/32/668075832.db2.gz RBHWMUAJCJKVRJ-LLVKDONJSA-N -1 1 350.360 0.803 20 5 FCBDMM O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773164031 668077474 /nfs/dbraw/zinc/07/74/74/668077474.db2.gz WNFVKLNEYCDFER-SNVBAGLBSA-N -1 1 365.331 0.946 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2nnnn2C2CC2)c([N+](=O)[O-])n1 ZINC000790943181 668884561 /nfs/dbraw/zinc/88/45/61/668884561.db2.gz WMJHXHAEZRMLGD-SSDOTTSWSA-N -1 1 356.368 0.172 20 5 FCBDMM NC(=O)C1=NO[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000795175152 669018490 /nfs/dbraw/zinc/01/84/90/669018490.db2.gz NSXRZDQIWPUIBB-ZCFIWIBFSA-N -1 1 362.751 0.157 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2COc3ccccc3[C@H]2O)c([N+](=O)[O-])n1 ZINC000808352072 669564822 /nfs/dbraw/zinc/56/48/22/669564822.db2.gz BPTKTJBLVQMSPR-ZWNOBZJWSA-N -1 1 368.371 0.584 20 5 FCBDMM 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ZINC000788487966 1200963797 /nfs/dbraw/zinc/96/37/97/1200963797.db2.gz BIAAFUGLUUCVPZ-UHFFFAOYSA-N -1 1 369.293 0.763 20 5 FCBDMM Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000777359587 1210994793 /nfs/dbraw/zinc/99/47/93/1210994793.db2.gz XFNSBOLMFNXUSY-UHFFFAOYSA-N -1 1 358.314 0.616 20 5 FCBDMM O=C(NC1CC2(C1)CC(NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2)c1ncccc1[O-] ZINC001013993425 1213914811 /nfs/dbraw/zinc/91/48/11/1213914811.db2.gz VGHCRYOUYJKSAL-HDMLSFSOSA-N -1 1 360.370 0.610 20 5 FCBDMM Cc1n[nH]c(C(=O)NC[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1[O-] ZINC000963964223 1214880488 /nfs/dbraw/zinc/88/04/88/1214880488.db2.gz ZQZFTWWZGYYMPR-DDHJBXDOSA-N -1 1 365.390 0.494 20 5 FCBDMM CCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(C(=O)c2ncccc2[O-])CC1 ZINC001069322926 1216783892 /nfs/dbraw/zinc/78/38/92/1216783892.db2.gz WQDOVCVVOJHXTE-VXGBXAGGSA-N -1 1 362.386 0.953 20 5 FCBDMM O=c1[nH]c2[n-]c(O[C@H]3CCN(c4ccc([N+](=O)[O-])cn4)C3)nc2c(=O)[nH]1 ZINC001227429428 1225874547 /nfs/dbraw/zinc/87/45/47/1225874547.db2.gz CNCMABNERXBOBY-QMMMGPOBSA-N -1 1 359.302 0.725 20 5 FCBDMM O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001155134098 1223026083 /nfs/dbraw/zinc/02/60/83/1223026083.db2.gz ANMPPOMPEWDCIU-SNVBAGLBSA-N -1 1 374.357 0.974 20 5 FCBDMM COC(=O)c1nc[n-]c(=O)c1O[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC001233760830 1259552591 /nfs/dbraw/zinc/55/25/91/1259552591.db2.gz XZEHCMOOXMYJML-JTQLQIEISA-N -1 1 361.314 0.930 20 5 FCBDMM COc1cnc([C@@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])nc2C)[n-]c1=O ZINC001304659188 1263144833 /nfs/dbraw/zinc/14/48/33/1263144833.db2.gz FTIKRNDPNNOLTF-JTQLQIEISA-N -1 1 362.346 0.968 20 5 FCBDMM CCC[C@@H](CCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001577325502 1274330843 /nfs/dbraw/zinc/33/08/43/1274330843.db2.gz CAXWNLUEEBCSLG-VIFPVBQESA-N -1 1 370.391 0.604 20 5 FCBDMM CCC[C@@H](CCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001577325502 1274330849 /nfs/dbraw/zinc/33/08/49/1274330849.db2.gz CAXWNLUEEBCSLG-VIFPVBQESA-N -1 1 370.391 0.604 20 5 FCBDMM COCC[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001579775796 1277905509 /nfs/dbraw/zinc/90/55/09/1277905509.db2.gz FQFVPOXFNBAZJU-VIFPVBQESA-N -1 1 370.391 0.726 20 5 FCBDMM COCC[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001579775796 1277905511 /nfs/dbraw/zinc/90/55/11/1277905511.db2.gz FQFVPOXFNBAZJU-VIFPVBQESA-N -1 1 370.391 0.726 20 5 FCBDMM CC(C)(CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)NS(C)(=O)=O ZINC001603150604 1287315587 /nfs/dbraw/zinc/31/55/87/1287315587.db2.gz GRTHSQKKJPVTEF-UHFFFAOYSA-N -1 1 355.380 0.515 20 5 FCBDMM Cc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)on1 ZINC001580927604 1279142600 /nfs/dbraw/zinc/14/26/00/1279142600.db2.gz UTXHXOMGSXJKOX-UHFFFAOYSA-N -1 1 365.331 0.550 20 5 FCBDMM Cc1nocc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001581643895 1280326691 /nfs/dbraw/zinc/32/66/91/1280326691.db2.gz NDGQEVPLANHYMN-UHFFFAOYSA-N -1 1 365.331 0.550 20 5 FCBDMM Cn1c(=O)[nH]c(SCc2ccc([N+](=O)[O-])cc2)c(-c2nn[n-]n2)c1=O ZINC001581748740 1280451899 /nfs/dbraw/zinc/45/18/99/1280451899.db2.gz RXNFERCMQAFGOE-UHFFFAOYSA-N -1 1 361.343 0.454 20 5 FCBDMM Cn1cc(Cn2c(=O)c(-c3nn[n-]n3)ccc2C(F)(F)F)c([N+](=O)[O-])n1 ZINC001581773865 1280492829 /nfs/dbraw/zinc/49/28/29/1280492829.db2.gz YBDJWVQYFKNDHG-UHFFFAOYSA-N -1 1 370.251 0.737 20 5 FCBDMM O=C(COc1cccc([N+](=O)[O-])c1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001582129650 1281087171 /nfs/dbraw/zinc/08/71/71/1281087171.db2.gz RLKFJQYFTCRQGK-UHFFFAOYSA-N -1 1 361.343 0.927 20 5 FCBDMM O=C(COc1cccc([N+](=O)[O-])c1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001582129650 1281087177 /nfs/dbraw/zinc/08/71/77/1281087177.db2.gz RLKFJQYFTCRQGK-UHFFFAOYSA-N -1 1 361.343 0.927 20 5 FCBDMM C[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])n1cnc(-c2nn[n-]n2)n1 ZINC001588943701 1282738718 /nfs/dbraw/zinc/73/87/18/1282738718.db2.gz ZUGHXNSBKXJKSA-SECBINFHSA-N -1 1 357.334 0.586 20 5 FCBDMM C[C@@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CS1 ZINC001590207647 1283329729 /nfs/dbraw/zinc/32/97/29/1283329729.db2.gz SXRRNOBFQWHEPS-HTQZYQBOSA-N -1 1 370.416 0.947 20 5 FCBDMM C[C@@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CS1 ZINC001590207647 1283329741 /nfs/dbraw/zinc/32/97/41/1283329741.db2.gz SXRRNOBFQWHEPS-HTQZYQBOSA-N -1 1 370.416 0.947 20 5 FCBDMM C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC001590275160 1283400716 /nfs/dbraw/zinc/40/07/16/1283400716.db2.gz XFNGTOBXQPFSDK-SECBINFHSA-N -1 1 352.376 0.788 20 5 FCBDMM C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC001590275160 1283400721 /nfs/dbraw/zinc/40/07/21/1283400721.db2.gz XFNGTOBXQPFSDK-SECBINFHSA-N -1 1 352.376 0.788 20 5 FCBDMM C[C@H]1Cc2ccccc2N1C(=O)Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001590331911 1283475535 /nfs/dbraw/zinc/47/55/35/1283475535.db2.gz TUAXFAYKMZNORV-VIFPVBQESA-N -1 1 354.330 0.949 20 5 FCBDMM C[C@@H]1SCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590334889 1283480286 /nfs/dbraw/zinc/48/02/86/1283480286.db2.gz CPJKVGABQIWNLP-XVKPBYJWSA-N -1 1 370.416 0.947 20 5 FCBDMM C[C@@H]1SCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590334889 1283480296 /nfs/dbraw/zinc/48/02/96/1283480296.db2.gz CPJKVGABQIWNLP-XVKPBYJWSA-N -1 1 370.416 0.947 20 5 FCBDMM CCOCCOC[C@@H](O)CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590814059 1283895176 /nfs/dbraw/zinc/89/51/76/1283895176.db2.gz MLLSQYDHVNICPX-LBPRGKRZSA-N -1 1 366.378 0.909 20 5 FCBDMM CCOCCOC[C@@H](O)CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590814059 1283895184 /nfs/dbraw/zinc/89/51/84/1283895184.db2.gz MLLSQYDHVNICPX-LBPRGKRZSA-N -1 1 366.378 0.909 20 5 FCBDMM CCc1[nH]nc(C(=O)OCc2nc(-c3nnn[n-]3)cs2)c1[N+](=O)[O-] ZINC001590871326 1283942228 /nfs/dbraw/zinc/94/22/28/1283942228.db2.gz YODRLBLWYSOFMQ-UHFFFAOYSA-N -1 1 350.320 0.874 20 5 FCBDMM CCc1[nH]nc(C(=O)OCc2nc(-c3nn[n-]n3)cs2)c1[N+](=O)[O-] ZINC001590871326 1283942234 /nfs/dbraw/zinc/94/22/34/1283942234.db2.gz YODRLBLWYSOFMQ-UHFFFAOYSA-N -1 1 350.320 0.874 20 5 FCBDMM CCc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)s1 ZINC001590888851 1283949075 /nfs/dbraw/zinc/94/90/75/1283949075.db2.gz AJVKTNRMKFEFNS-UHFFFAOYSA-N -1 1 362.375 0.912 20 5 FCBDMM CN(CC(C)(C)CO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001591044710 1284105446 /nfs/dbraw/zinc/10/54/46/1284105446.db2.gz OHUYABACDMHZMB-UHFFFAOYSA-N -1 1 370.391 0.414 20 5 FCBDMM COC(=O)[C@@H](O)C1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001591238112 1284383984 /nfs/dbraw/zinc/38/39/84/1284383984.db2.gz WXDSJZWJIHHMQB-ZDUSSCGKSA-N -1 1 362.346 0.525 20 5 FCBDMM COC(=O)[C@@H](O)C1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001591238112 1284383994 /nfs/dbraw/zinc/38/39/94/1284383994.db2.gz WXDSJZWJIHHMQB-ZDUSSCGKSA-N -1 1 362.346 0.525 20 5 FCBDMM COC(=O)[C@@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@H](C)O1 ZINC001591278253 1284434514 /nfs/dbraw/zinc/43/45/14/1284434514.db2.gz ADMUFRICMRNNPU-XPUUQOCRSA-N -1 1 354.348 0.603 20 5 FCBDMM COC(=O)[C@@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@H](C)O1 ZINC001591278253 1284434520 /nfs/dbraw/zinc/43/45/20/1284434520.db2.gz ADMUFRICMRNNPU-XPUUQOCRSA-N -1 1 354.348 0.603 20 5 FCBDMM COC(=O)c1ccc([N+](=O)[O-])c(NCCn2cnc(-c3nn[n-]n3)n2)c1 ZINC001591298738 1284452203 /nfs/dbraw/zinc/45/22/03/1284452203.db2.gz FWCLUXFXSXLBIJ-UHFFFAOYSA-N -1 1 359.306 0.265 20 5 FCBDMM CS(=O)(=O)CCOCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591675204 1284810140 /nfs/dbraw/zinc/81/01/40/1284810140.db2.gz COTKVJRCZDSVPX-UHFFFAOYSA-N -1 1 362.393 0.310 20 5 FCBDMM CS(=O)(=O)CCOCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591675204 1284810147 /nfs/dbraw/zinc/81/01/47/1284810147.db2.gz COTKVJRCZDSVPX-UHFFFAOYSA-N -1 1 362.393 0.310 20 5 FCBDMM Cc1c(CC(=O)NCCn2cnc(-c3nn[n-]n3)n2)cccc1[N+](=O)[O-] ZINC001591815706 1284924605 /nfs/dbraw/zinc/92/46/05/1284924605.db2.gz CCLBEMHIBXGXJX-UHFFFAOYSA-N -1 1 357.334 0.034 20 5 FCBDMM Cc1cnc(COC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c(C)c1[N+](=O)[O-] ZINC001592293834 1285218953 /nfs/dbraw/zinc/21/89/53/1285218953.db2.gz MIGPQNGNWMMQPX-SECBINFHSA-N -1 1 373.333 0.683 20 5 FCBDMM Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccnc(-c4nnn[n-]4)c3)n2)n1C ZINC001592399237 1285310669 /nfs/dbraw/zinc/31/06/69/1285310669.db2.gz FJHODNRSFXFPLS-UHFFFAOYSA-N -1 1 354.290 0.929 20 5 FCBDMM Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccnc(-c4nn[n-]n4)c3)n2)n1C ZINC001592399237 1285310681 /nfs/dbraw/zinc/31/06/81/1285310681.db2.gz FJHODNRSFXFPLS-UHFFFAOYSA-N -1 1 354.290 0.929 20 5 FCBDMM Cc1nn(CCC(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)c(C)c1[N+](=O)[O-] ZINC001592437012 1285368148 /nfs/dbraw/zinc/36/81/48/1285368148.db2.gz GXKUMBMGDKBLLF-UHFFFAOYSA-N -1 1 374.365 0.659 20 5 FCBDMM Cc1nn(CCC(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)c(C)c1[N+](=O)[O-] ZINC001592437012 1285368153 /nfs/dbraw/zinc/36/81/53/1285368153.db2.gz GXKUMBMGDKBLLF-UHFFFAOYSA-N -1 1 374.365 0.659 20 5 FCBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)n1 ZINC001592577767 1285496879 /nfs/dbraw/zinc/49/68/79/1285496879.db2.gz RPDQUKFQBFUCSS-UHFFFAOYSA-N -1 1 369.294 0.415 20 5 FCBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)n1 ZINC001592577767 1285496880 /nfs/dbraw/zinc/49/68/80/1285496880.db2.gz RPDQUKFQBFUCSS-UHFFFAOYSA-N -1 1 369.294 0.415 20 5 FCBDMM Nc1cc(N2CC[C@H]3NC(=O)CC[C@@H]3C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759468 1285682570 /nfs/dbraw/zinc/68/25/70/1285682570.db2.gz BWGFWHARRGEUFW-PRHODGIISA-N -1 1 358.362 0.462 20 5 FCBDMM Nc1cc(N2CC[C@H]3NC(=O)CC[C@@H]3C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759468 1285682575 /nfs/dbraw/zinc/68/25/75/1285682575.db2.gz BWGFWHARRGEUFW-PRHODGIISA-N -1 1 358.362 0.462 20 5 FCBDMM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592937013 1285825380 /nfs/dbraw/zinc/82/53/80/1285825380.db2.gz FIVWRZKQIXRORX-UHFFFAOYSA-N -1 1 361.343 0.315 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)NCc1ccc2c(c1)OCO2 ZINC001592937519 1285827323 /nfs/dbraw/zinc/82/73/23/1285827323.db2.gz HDJNUOPGBXDGBU-UHFFFAOYSA-N -1 1 372.301 0.017 20 5 FCBDMM CN(CCc1ccccc1[N+](=O)[O-])C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001609276550 1289040894 /nfs/dbraw/zinc/04/08/94/1289040894.db2.gz VUBMJPKWHOIOQM-UHFFFAOYSA-N -1 1 357.334 0.068 20 5 FCBDMM O=C1[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CN1c1ccccc1 ZINC001593378432 1286099058 /nfs/dbraw/zinc/09/90/58/1286099058.db2.gz NHBDVRAJGQHNPJ-LLVKDONJSA-N -1 1 352.314 0.997 20 5 FCBDMM O=C1[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CN1c1ccccc1 ZINC001593378432 1286099061 /nfs/dbraw/zinc/09/90/61/1286099061.db2.gz NHBDVRAJGQHNPJ-LLVKDONJSA-N -1 1 352.314 0.997 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN2CC(F)(F)C[C@H]2C1 ZINC001593466274 1286170508 /nfs/dbraw/zinc/17/05/08/1286170508.db2.gz POCCSIHWEFBIKW-QMMMGPOBSA-N -1 1 352.305 0.700 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN2CC(F)(F)C[C@H]2C1 ZINC001593466274 1286170511 /nfs/dbraw/zinc/17/05/11/1286170511.db2.gz POCCSIHWEFBIKW-QMMMGPOBSA-N -1 1 352.305 0.700 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC[S@@](=O)CC(F)(F)F ZINC001593465465 1286170766 /nfs/dbraw/zinc/17/07/66/1286170766.db2.gz PURPQQYKUXFGIN-XMMPIXPASA-N -1 1 365.297 0.893 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC[S@@](=O)CC(F)(F)F ZINC001593465465 1286170768 /nfs/dbraw/zinc/17/07/68/1286170768.db2.gz PURPQQYKUXFGIN-XMMPIXPASA-N -1 1 365.297 0.893 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCC2CSC2)c1-c1nn[n-]n1 ZINC001593484728 1286174607 /nfs/dbraw/zinc/17/46/07/1286174607.db2.gz FMWFUNRPGFRZIG-UHFFFAOYSA-N -1 1 370.416 0.806 20 5 FCBDMM CNS(=O)(=O)C[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609290121 1289057210 /nfs/dbraw/zinc/05/72/10/1289057210.db2.gz ODWKEGQKGVTVAX-VIFPVBQESA-N -1 1 367.391 0.293 20 5 FCBDMM CNS(=O)(=O)C[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609290121 1289057216 /nfs/dbraw/zinc/05/72/16/1289057216.db2.gz ODWKEGQKGVTVAX-VIFPVBQESA-N -1 1 367.391 0.293 20 5 FCBDMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCc2ccc([N+](=O)[O-])cc2)c1 ZINC001609301782 1289074523 /nfs/dbraw/zinc/07/45/23/1289074523.db2.gz BDCUZPUXDBQPJH-UHFFFAOYSA-N -1 1 370.325 0.966 20 5 FCBDMM COCCO[C@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001609326817 1289099278 /nfs/dbraw/zinc/09/92/78/1289099278.db2.gz JPGPLJKLESVXSH-NSHDSACASA-N -1 1 363.378 0.989 20 5 FCBDMM COCCO[C@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001609326817 1289099285 /nfs/dbraw/zinc/09/92/85/1289099285.db2.gz JPGPLJKLESVXSH-NSHDSACASA-N -1 1 363.378 0.989 20 5 FCBDMM C[C@@H]1C[C@H](O)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC001609375420 1289129085 /nfs/dbraw/zinc/12/90/85/1289129085.db2.gz HXUBHIAWJUGKEZ-BDAKNGLRSA-N -1 1 368.375 0.166 20 5 FCBDMM COC(=O)[C@H](CSc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])NC(C)=O ZINC001604961723 1287820621 /nfs/dbraw/zinc/82/06/21/1287820621.db2.gz HLJXOPKQPQQQES-VIFPVBQESA-N -1 1 366.359 0.545 20 5 FCBDMM COC(=O)[C@H](CSc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])NC(C)=O ZINC001604961723 1287820626 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ZINC000532855319 490128871 /nfs/dbraw/zinc/12/88/71/490128871.db2.gz QJFBYPRRHSVGBR-LLVKDONJSA-N -1 1 358.351 0.962 20 5 FCBDMM COC(=O)C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000393640976 490159004 /nfs/dbraw/zinc/15/90/04/490159004.db2.gz VWAQKENIWQPGAS-SSDOTTSWSA-N -1 1 350.280 0.029 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2nnc3ccccn32)c([N+](=O)[O-])n1 ZINC000533407350 490229021 /nfs/dbraw/zinc/22/90/21/490229021.db2.gz KZVMBQLKKOAEMR-VIFPVBQESA-N -1 1 365.375 0.893 20 5 FCBDMM CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000467069489 490246780 /nfs/dbraw/zinc/24/67/80/490246780.db2.gz KSQYXJNQQOGLAW-GFCCVEGCSA-N -1 1 366.779 0.841 20 5 FCBDMM COC(=O)c1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc([N+](=O)[O-])c1 ZINC000533572779 490258548 /nfs/dbraw/zinc/25/85/48/490258548.db2.gz ASIKJYUYXMEDKP-VIFPVBQESA-N -1 1 360.330 0.914 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCc3c2cnn3C)c([N+](=O)[O-])n1 ZINC000533634339 490270438 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CCn1cc(S(=O)(=O)[N-]Cc2ccc(N(C)C)nc2)c([N+](=O)[O-])n1 ZINC000611105835 492278198 /nfs/dbraw/zinc/27/81/98/492278198.db2.gz AHAVPRUXBGZCLI-UHFFFAOYSA-N -1 1 354.392 0.751 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@H](C(=O)N2CCCC2)C(C)C)c([N+](=O)[O-])n1 ZINC000611107137 492278529 /nfs/dbraw/zinc/27/85/29/492278529.db2.gz FLWNGTRPDDAXRQ-LBPRGKRZSA-N -1 1 373.435 0.737 20 5 FCBDMM CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)no1 ZINC000593599595 546982125 /nfs/dbraw/zinc/98/21/25/546982125.db2.gz WOMNWIYMIAPFEP-QMMMGPOBSA-N -1 1 357.348 0.949 20 5 FCBDMM C[C@H](CNc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000594544958 547001834 /nfs/dbraw/zinc/00/18/34/547001834.db2.gz BGYRIXPQJLTOCS-SNVBAGLBSA-N -1 1 374.419 0.567 20 5 FCBDMM O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC000738360625 598385725 /nfs/dbraw/zinc/38/57/25/598385725.db2.gz RGALWLCSXRKUGO-WCQYABFASA-N -1 1 358.318 0.071 20 5 FCBDMM O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC000738360625 598385728 /nfs/dbraw/zinc/38/57/28/598385728.db2.gz RGALWLCSXRKUGO-WCQYABFASA-N -1 1 358.318 0.071 20 5 FCBDMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2c(F)cccc2[N+](=O)[O-])c1=O ZINC000736714923 598733301 /nfs/dbraw/zinc/73/33/01/598733301.db2.gz WTFSAGWIKFDMFC-UHFFFAOYSA-N -1 1 361.293 0.306 20 5 FCBDMM O=C([O-])CNC(=O)c1ccc(N2CC[C@H](N3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000833252031 600819502 /nfs/dbraw/zinc/81/95/02/600819502.db2.gz CYXWGSGHQCQMLE-ZDUSSCGKSA-N -1 1 360.370 0.860 20 5 FCBDMM CC[C@@H](C)[C@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825059763 607637168 /nfs/dbraw/zinc/63/71/68/607637168.db2.gz KHQSKXFJZFSWHY-PSASIEDQSA-N -1 1 370.391 0.460 20 5 FCBDMM COCCC(C)(C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826153770 607659415 /nfs/dbraw/zinc/65/94/15/607659415.db2.gz ZNIZWQUPTXCOSJ-UHFFFAOYSA-N -1 1 370.391 0.868 20 5 FCBDMM C[C@H](CCCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824402148 607669081 /nfs/dbraw/zinc/66/90/81/607669081.db2.gz VBDFHWKGOXOLTA-MRVPVSSYSA-N -1 1 356.364 0.214 20 5 FCBDMM O=C(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])NCCc1ccccc1 ZINC000823014793 606705680 /nfs/dbraw/zinc/70/56/80/606705680.db2.gz SVWZIUTVRMZXOI-UHFFFAOYSA-N -1 1 368.357 0.941 20 5 FCBDMM O=C(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])NCCc1ccccc1 ZINC000823014793 606705682 /nfs/dbraw/zinc/70/56/82/606705682.db2.gz SVWZIUTVRMZXOI-UHFFFAOYSA-N -1 1 368.357 0.941 20 5 FCBDMM CC(C)c1nnc2n1CCN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])C2 ZINC000820211658 606707817 /nfs/dbraw/zinc/70/78/17/606707817.db2.gz UJOUGJXBQYUBHL-UHFFFAOYSA-N -1 1 356.350 0.905 20 5 FCBDMM CC(C)c1nnc2n1CCN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])C2 ZINC000820211658 606707819 /nfs/dbraw/zinc/70/78/19/606707819.db2.gz UJOUGJXBQYUBHL-UHFFFAOYSA-N -1 1 356.350 0.905 20 5 FCBDMM CN([C@@H]1CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821592866 606734759 /nfs/dbraw/zinc/73/47/59/606734759.db2.gz ZGMMNURYWLAKPR-MRVPVSSYSA-N -1 1 354.348 0.184 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)O3)c1-c1nn[n-]n1 ZINC000823647268 606737525 /nfs/dbraw/zinc/73/75/25/606737525.db2.gz JKLBPPQQKTVIEC-DTORHVGOSA-N -1 1 366.359 0.327 20 5 FCBDMM C[C@@H]1[C@H](C)OCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820819474 607004993 /nfs/dbraw/zinc/00/49/93/607004993.db2.gz IYZIFVKNGKKOHR-BDAKNGLRSA-N -1 1 368.375 0.573 20 5 FCBDMM CCOCCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825594993 608249275 /nfs/dbraw/zinc/24/92/75/608249275.db2.gz TUENMCJKFRUZFX-UHFFFAOYSA-N -1 1 356.364 0.432 20 5 FCBDMM C[C@]1(O)CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824844413 608343749 /nfs/dbraw/zinc/34/37/49/608343749.db2.gz XCNUPIAJLVFFQA-ZDUSSCGKSA-N -1 1 368.375 0.310 20 5 FCBDMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826394906 609405098 /nfs/dbraw/zinc/40/50/98/609405098.db2.gz DKAXOMXTHJPVLQ-UHFFFAOYSA-N -1 1 350.245 0.986 20 5 FCBDMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826395123 609435865 /nfs/dbraw/zinc/43/58/65/609435865.db2.gz NSFCGANFHADAPW-NSHDSACASA-N -1 1 369.301 0.387 20 5 FCBDMM Cc1onc(CC(=O)NCCc2cccc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000826348062 609467701 /nfs/dbraw/zinc/46/77/01/609467701.db2.gz RXODFHVSWXPYMG-UHFFFAOYSA-N -1 1 357.330 0.973 20 5 FCBDMM Cc1onc(CC(=O)NCCc2cccc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000826348062 609467704 /nfs/dbraw/zinc/46/77/04/609467704.db2.gz RXODFHVSWXPYMG-UHFFFAOYSA-N -1 1 357.330 0.973 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CCCCS1(=O)=O ZINC000826497903 609589591 /nfs/dbraw/zinc/58/95/91/609589591.db2.gz YGEROSQQUNSHLF-MRVPVSSYSA-N -1 1 353.364 0.549 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1CCCCS1(=O)=O ZINC000826497903 609589593 /nfs/dbraw/zinc/58/95/93/609589593.db2.gz YGEROSQQUNSHLF-MRVPVSSYSA-N -1 1 353.364 0.549 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]CC[S@](=O)C(C)(C)C)c([N+](=O)[O-])n1 ZINC000754805744 667611458 /nfs/dbraw/zinc/61/14/58/667611458.db2.gz QSNLPZQGYITAQR-NRFANRHFSA-N -1 1 352.438 0.637 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](O)c2cccc(OC)c2)c([N+](=O)[O-])n1 ZINC000754805600 667611574 /nfs/dbraw/zinc/61/15/74/667611574.db2.gz OFHRFLKYTUJZHG-LBPRGKRZSA-N -1 1 370.387 0.832 20 5 FCBDMM C[C@@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000761954912 667899006 /nfs/dbraw/zinc/89/90/06/667899006.db2.gz ADVHPWAETAKPFI-QMMMGPOBSA-N -1 1 354.381 0.835 20 5 FCBDMM COC(=O)C[C@]1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCOC1 ZINC000766559481 668031513 /nfs/dbraw/zinc/03/15/13/668031513.db2.gz NLHMPDLWKBBMCR-CYBMUJFWSA-N -1 1 362.335 0.734 20 5 FCBDMM COCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(N)=O ZINC000775739847 668229103 /nfs/dbraw/zinc/22/91/03/668229103.db2.gz JGHRAMWQOMSOCJ-QMMMGPOBSA-N -1 1 351.768 0.417 20 5 FCBDMM CN(CC(=O)NCc1nn[n-]n1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796375992 669098743 /nfs/dbraw/zinc/09/87/43/669098743.db2.gz GYUNWQFZIRLIGB-UHFFFAOYSA-N -1 1 370.167 0.623 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCCOCC2)c1-c1nn[n-]n1 ZINC000826500237 669496741 /nfs/dbraw/zinc/49/67/41/669496741.db2.gz PNNIKCYOIDOXOI-VIFPVBQESA-N -1 1 368.375 0.622 20 5 FCBDMM O=C(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)NC1CC1 ZINC000809806399 669640256 /nfs/dbraw/zinc/64/02/56/669640256.db2.gz MVNALSJTYMIHCR-UHFFFAOYSA-N -1 1 351.743 0.944 20 5 FCBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCS(=O)(=O)C1 ZINC000814972237 669894519 /nfs/dbraw/zinc/89/45/19/669894519.db2.gz CXVXDXWDSDUNBZ-LURJTMIESA-N -1 1 372.783 0.853 20 5 FCBDMM CN1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1=O ZINC000815008105 669894981 /nfs/dbraw/zinc/89/49/81/669894981.db2.gz NXSKTPLWEHXEJJ-ZCFIWIBFSA-N -1 1 351.743 0.896 20 5 FCBDMM CCO[N-]C(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000846002417 671065234 /nfs/dbraw/zinc/06/52/34/671065234.db2.gz HWULNLWVJUOBSO-UHFFFAOYSA-N -1 1 355.731 0.733 20 5 FCBDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000748120165 1168922202 /nfs/dbraw/zinc/92/22/02/1168922202.db2.gz OEHANQUQFCMCAH-UHFFFAOYSA-N -1 1 360.330 0.942 20 5 FCBDMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000772058453 1200694653 /nfs/dbraw/zinc/69/46/53/1200694653.db2.gz PIPWZEBKYDYDQI-UHFFFAOYSA-N -1 1 362.298 0.450 20 5 FCBDMM CN(C)c1nc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc(=O)[n-]1 ZINC000786493714 1200840228 /nfs/dbraw/zinc/84/02/28/1200840228.db2.gz MNUCLJGKGOMOST-UHFFFAOYSA-N -1 1 361.314 0.952 20 5 FCBDMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)COc1ccccc1[N+](=O)[O-] ZINC000777360898 1210994700 /nfs/dbraw/zinc/99/47/00/1210994700.db2.gz RZWIZVCLWAVUDC-UHFFFAOYSA-N -1 1 373.325 0.799 20 5 FCBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2nnc3n2CCNC3)CC1 ZINC001332152305 1266345294 /nfs/dbraw/zinc/34/52/94/1266345294.db2.gz NZCQZJXCWCUAGT-UHFFFAOYSA-N -1 1 373.373 0.410 20 5 FCBDMM CC[C@@H](C[C@@H](C)O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001576705441 1273575270 /nfs/dbraw/zinc/57/52/70/1273575270.db2.gz LJYUFVJBYVNMJC-BDAKNGLRSA-N -1 1 370.391 0.603 20 5 FCBDMM CC[C@@H](C[C@@H](C)O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001576705441 1273575279 /nfs/dbraw/zinc/57/52/79/1273575279.db2.gz LJYUFVJBYVNMJC-BDAKNGLRSA-N -1 1 370.391 0.603 20 5 FCBDMM C[C@@H](O)CN(C)c1cc(N(C)C[C@H](C)O)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590000692 1283168336 /nfs/dbraw/zinc/16/83/36/1283168336.db2.gz PERWETJQMJVRSA-VHSXEESVSA-N -1 1 365.394 0.409 20 5 FCBDMM C[C@@H](O)CN(C)c1cc(N(C)C[C@H](C)O)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590000692 1283168338 /nfs/dbraw/zinc/16/83/38/1283168338.db2.gz PERWETJQMJVRSA-VHSXEESVSA-N -1 1 365.394 0.409 20 5 FCBDMM CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)n1 ZINC001590955437 1284006180 /nfs/dbraw/zinc/00/61/80/1284006180.db2.gz FGHXIRRWOXEGMY-UHFFFAOYSA-N -1 1 359.306 0.647 20 5 FCBDMM CNC(=O)CC1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001591204853 1284331213 /nfs/dbraw/zinc/33/12/13/1284331213.db2.gz NIQLJMBUAAJUCG-UHFFFAOYSA-N -1 1 360.378 0.710 20 5 FCBDMM CNC(=O)CC1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001591204853 1284331221 /nfs/dbraw/zinc/33/12/21/1284331221.db2.gz NIQLJMBUAAJUCG-UHFFFAOYSA-N -1 1 360.378 0.710 20 5 FCBDMM CNS(=O)(=O)C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591219070 1284358188 /nfs/dbraw/zinc/35/81/88/1284358188.db2.gz BEDGGDKWNLPCNI-SNVBAGLBSA-N -1 1 367.391 0.293 20 5 FCBDMM CNS(=O)(=O)C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591219070 1284358195 /nfs/dbraw/zinc/35/81/95/1284358195.db2.gz BEDGGDKWNLPCNI-SNVBAGLBSA-N -1 1 367.391 0.293 20 5 FCBDMM COC(=O)[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001591232573 1284374285 /nfs/dbraw/zinc/37/42/85/1284374285.db2.gz LJIGZCJDLQLJJK-SCZZXKLOSA-N -1 1 363.334 0.408 20 5 FCBDMM COC(=O)[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001591232573 1284374290 /nfs/dbraw/zinc/37/42/90/1284374290.db2.gz LJIGZCJDLQLJJK-SCZZXKLOSA-N -1 1 363.334 0.408 20 5 FCBDMM COC(=O)[C@@H]1C[C@H](O)CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001591248280 1284401242 /nfs/dbraw/zinc/40/12/42/1284401242.db2.gz LCSKFRCSRNBYCD-RQJHMYQMSA-N -1 1 354.348 0.197 20 5 FCBDMM COC(=O)[C@@H]1C[C@H](O)CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001591248280 1284401246 /nfs/dbraw/zinc/40/12/46/1284401246.db2.gz LCSKFRCSRNBYCD-RQJHMYQMSA-N -1 1 354.348 0.197 20 5 FCBDMM COC(=O)c1cn(C2CN(c3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)nn1 ZINC001591306948 1284458447 /nfs/dbraw/zinc/45/84/47/1284458447.db2.gz SBUFDURPGABRSZ-UHFFFAOYSA-N -1 1 371.317 0.214 20 5 FCBDMM COC(=O)c1cn(C2CN(c3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)nn1 ZINC001591306948 1284458450 /nfs/dbraw/zinc/45/84/50/1284458450.db2.gz SBUFDURPGABRSZ-UHFFFAOYSA-N -1 1 371.317 0.214 20 5 FCBDMM COCC(=O)NC1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001591366397 1284506276 /nfs/dbraw/zinc/50/62/76/1284506276.db2.gz AXNSYXHSHHYSQO-UHFFFAOYSA-N -1 1 367.391 0.568 20 5 FCBDMM COCC(=O)NC1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001591366397 1284506283 /nfs/dbraw/zinc/50/62/83/1284506283.db2.gz AXNSYXHSHHYSQO-UHFFFAOYSA-N -1 1 367.391 0.568 20 5 FCBDMM COCCN1CCN(c2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1=O ZINC001591430453 1284575785 /nfs/dbraw/zinc/57/57/85/1284575785.db2.gz MLBNKXLHZQWTNR-UHFFFAOYSA-N -1 1 361.362 0.378 20 5 FCBDMM COCCN1CCN(c2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1=O ZINC001591430453 1284575803 /nfs/dbraw/zinc/57/58/03/1284575803.db2.gz MLBNKXLHZQWTNR-UHFFFAOYSA-N -1 1 361.362 0.378 20 5 FCBDMM CS(=O)(=O)N1CC[C@@H](CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001591680489 1284821695 /nfs/dbraw/zinc/82/16/95/1284821695.db2.gz PIAWZDUKRXUVQP-ZETCQYMHSA-N -1 1 373.420 0.530 20 5 FCBDMM CS(=O)(=O)N1CC[C@@H](CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001591680489 1284821700 /nfs/dbraw/zinc/82/17/00/1284821700.db2.gz PIAWZDUKRXUVQP-ZETCQYMHSA-N -1 1 373.420 0.530 20 5 FCBDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ncc([N+](=O)[O-])cc1F ZINC001604759861 1287766378 /nfs/dbraw/zinc/76/63/78/1287766378.db2.gz UEYHYMIYAXQJCM-UHFFFAOYSA-N -1 1 362.329 0.683 20 5 FCBDMM Cc1ccc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592165671 1285168570 /nfs/dbraw/zinc/16/85/70/1285168570.db2.gz BILWTXUDEFTJJZ-UHFFFAOYSA-N -1 1 358.318 0.495 20 5 FCBDMM Cn1c(=O)[nH]c(Oc2cc(Cl)ccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1=O ZINC001592545199 1285453472 /nfs/dbraw/zinc/45/34/72/1285453472.db2.gz OJMYWWSOOVIJGV-UHFFFAOYSA-N -1 1 365.693 0.608 20 5 FCBDMM Cn1cc(N2CCN(c3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cn1 ZINC001592576612 1285493336 /nfs/dbraw/zinc/49/33/36/1285493336.db2.gz WHASPVXUWRINCR-UHFFFAOYSA-N -1 1 355.362 0.835 20 5 FCBDMM Cn1cc(N2CCN(c3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cn1 ZINC001592576612 1285493346 /nfs/dbraw/zinc/49/33/46/1285493346.db2.gz WHASPVXUWRINCR-UHFFFAOYSA-N -1 1 355.362 0.835 20 5 FCBDMM NS(=O)(=O)C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001592746830 1285666291 /nfs/dbraw/zinc/66/62/91/1285666291.db2.gz KBANCSCYSBBWSV-VIFPVBQESA-N -1 1 367.391 0.280 20 5 FCBDMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2cccc([N+](=O)[O-])c2C)c1=O ZINC001609257994 1289022707 /nfs/dbraw/zinc/02/27/07/1289022707.db2.gz NRDBKPOSMRODPT-UHFFFAOYSA-N -1 1 357.330 0.475 20 5 FCBDMM Nc1cc(NC[C@H]2CN(C3CC3)C(=O)O2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760259 1285681977 /nfs/dbraw/zinc/68/19/77/1285681977.db2.gz UTJCKTYWWKOKKR-VIFPVBQESA-N -1 1 360.334 0.752 20 5 FCBDMM Nc1cc(NC[C@H]2CN(C3CC3)C(=O)O2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760259 1285681989 /nfs/dbraw/zinc/68/19/89/1285681989.db2.gz UTJCKTYWWKOKKR-VIFPVBQESA-N -1 1 360.334 0.752 20 5 FCBDMM CN(C)C(=O)OC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001609265127 1289030191 /nfs/dbraw/zinc/03/01/91/1289030191.db2.gz WMHYFJJWARUCSB-UHFFFAOYSA-N -1 1 362.350 0.837 20 5 FCBDMM CN(C)C(=O)OC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001609265127 1289030195 /nfs/dbraw/zinc/03/01/95/1289030195.db2.gz WMHYFJJWARUCSB-UHFFFAOYSA-N -1 1 362.350 0.837 20 5 FCBDMM CN(C)c1nccc(CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)n1 ZINC001609270883 1289035974 /nfs/dbraw/zinc/03/59/74/1289035974.db2.gz HYWCROCWRATAOA-UHFFFAOYSA-N -1 1 356.350 0.825 20 5 FCBDMM CN(C)c1nccc(CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)n1 ZINC001609270883 1289035982 /nfs/dbraw/zinc/03/59/82/1289035982.db2.gz HYWCROCWRATAOA-UHFFFAOYSA-N -1 1 356.350 0.825 20 5 FCBDMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001593111923 1286010305 /nfs/dbraw/zinc/01/03/05/1286010305.db2.gz IJMQUXWILFHXDU-UHFFFAOYSA-N -1 1 363.725 0.450 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001593466809 1286170180 /nfs/dbraw/zinc/17/01/80/1286170180.db2.gz XVDNCCZVQIHTQE-DTORHVGOSA-N -1 1 350.360 0.256 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001593466809 1286170185 /nfs/dbraw/zinc/17/01/85/1286170185.db2.gz XVDNCCZVQIHTQE-DTORHVGOSA-N -1 1 350.360 0.256 20 5 FCBDMM O=[N+]([O-])c1c(NC/C=C/CO)cc(NC/C=C/CO)cc1-c1nnn[n-]1 ZINC001593466070 1286170778 /nfs/dbraw/zinc/17/07/78/1286170778.db2.gz VVTKGVRHQHRSPW-ZPUQHVIOSA-N -1 1 361.362 0.696 20 5 FCBDMM O=[N+]([O-])c1c(NC/C=C/CO)cc(NC/C=C/CO)cc1-c1nn[n-]n1 ZINC001593466070 1286170780 /nfs/dbraw/zinc/17/07/80/1286170780.db2.gz VVTKGVRHQHRSPW-ZPUQHVIOSA-N -1 1 361.362 0.696 20 5 FCBDMM O=[N+]([O-])c1c(NCCN2CCCS2(=O)=O)cccc1-c1nnn[n-]1 ZINC001593465731 1286171029 /nfs/dbraw/zinc/17/10/29/1286171029.db2.gz RUFMFWNBLUBPSQ-UHFFFAOYSA-N -1 1 353.364 0.222 20 5 FCBDMM O=[N+]([O-])c1c(NCCN2CCCS2(=O)=O)cccc1-c1nn[n-]n1 ZINC001593465731 1286171033 /nfs/dbraw/zinc/17/10/33/1286171033.db2.gz RUFMFWNBLUBPSQ-UHFFFAOYSA-N -1 1 353.364 0.222 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]2CCO)c1-c1nn[n-]n1 ZINC001593484342 1286174832 /nfs/dbraw/zinc/17/48/32/1286174832.db2.gz XADGZMINCAWSLA-VIFPVBQESA-N -1 1 368.375 0.310 20 5 FCBDMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001593489474 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SDCAGHWNTRPIRK-VIFPVBQESA-N -1 1 354.334 0.651 20 5 FCBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821845223 606168640 /nfs/dbraw/zinc/16/86/40/606168640.db2.gz CXSQEBPBIKLGJW-UHFFFAOYSA-N -1 1 373.333 0.839 20 5 FCBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821845223 606168641 /nfs/dbraw/zinc/16/86/41/606168641.db2.gz CXSQEBPBIKLGJW-UHFFFAOYSA-N -1 1 373.333 0.839 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(-n2cncn2)nc1 ZINC000823624767 606698752 /nfs/dbraw/zinc/69/87/52/606698752.db2.gz IUXRNBWGPMCHAY-UHFFFAOYSA-N -1 1 365.317 0.758 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(-n2cncn2)nc1 ZINC000823624767 606698753 /nfs/dbraw/zinc/69/87/53/606698753.db2.gz IUXRNBWGPMCHAY-UHFFFAOYSA-N -1 1 365.317 0.758 20 5 FCBDMM CS(=O)(=O)[C@@H]1CCC[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821920181 606712424 /nfs/dbraw/zinc/71/24/24/606712424.db2.gz MVAOGYDBGPHZQR-DTWKUNHWSA-N -1 1 367.391 0.938 20 5 FCBDMM CS(=O)(=O)[C@@H]1CCC[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821920181 606712425 /nfs/dbraw/zinc/71/24/25/606712425.db2.gz MVAOGYDBGPHZQR-DTWKUNHWSA-N -1 1 367.391 0.938 20 5 FCBDMM CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000821276425 606730794 /nfs/dbraw/zinc/73/07/94/606730794.db2.gz LJYQGRTZOXCUQM-UHFFFAOYSA-N -1 1 367.391 0.101 20 5 FCBDMM COC[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000821684455 606735159 /nfs/dbraw/zinc/73/51/59/606735159.db2.gz AHCBGAFYWDMRPT-VIFPVBQESA-N -1 1 368.375 0.432 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(Cc2cccnc2)CC1 ZINC000823621181 607166605 /nfs/dbraw/zinc/16/66/05/607166605.db2.gz YITBMTAUEVQLOT-UHFFFAOYSA-N -1 1 367.373 0.887 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(Cc2cccnc2)CC1 ZINC000823621181 607166606 /nfs/dbraw/zinc/16/66/06/607166606.db2.gz YITBMTAUEVQLOT-UHFFFAOYSA-N -1 1 367.373 0.887 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(Cn2ccnn2)CC1 ZINC000826497242 607811378 /nfs/dbraw/zinc/81/13/78/607811378.db2.gz ZISNJLDKNNYHMQ-UHFFFAOYSA-N -1 1 356.350 0.678 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(Cn2ccnn2)CC1 ZINC000826497242 607811379 /nfs/dbraw/zinc/81/13/79/607811379.db2.gz ZISNJLDKNNYHMQ-UHFFFAOYSA-N -1 1 356.350 0.678 20 5 FCBDMM NS(=O)(=O)c1ccc(Oc2cccc(-c3nnn[n-]3)n2)c([N+](=O)[O-])c1 ZINC000826395197 607895837 /nfs/dbraw/zinc/89/58/37/607895837.db2.gz RDKPEJVDHXZIFS-UHFFFAOYSA-N -1 1 363.315 0.610 20 5 FCBDMM NS(=O)(=O)c1ccc(Oc2cccc(-c3nn[n-]n3)n2)c([N+](=O)[O-])c1 ZINC000826395197 607895838 /nfs/dbraw/zinc/89/58/38/607895838.db2.gz RDKPEJVDHXZIFS-UHFFFAOYSA-N -1 1 363.315 0.610 20 5 FCBDMM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826464350 608058054 /nfs/dbraw/zinc/05/80/54/608058054.db2.gz STFZCWCMEFNGAA-UHFFFAOYSA-N -1 1 357.286 0.189 20 5 FCBDMM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826464350 608058055 /nfs/dbraw/zinc/05/80/55/608058055.db2.gz STFZCWCMEFNGAA-UHFFFAOYSA-N -1 1 357.286 0.189 20 5 FCBDMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826395657 609436096 /nfs/dbraw/zinc/43/60/96/609436096.db2.gz NOAHCELIJQQSOA-UHFFFAOYSA-N -1 1 366.244 0.844 20 5 FCBDMM CCNS(=O)(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000731674464 666831023 /nfs/dbraw/zinc/83/10/23/666831023.db2.gz KHJMMTGAEJJOQP-UHFFFAOYSA-N -1 1 371.824 0.466 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]CCc2cccc(OC)n2)c([N+](=O)[O-])n1 ZINC000754815524 667612408 /nfs/dbraw/zinc/61/24/08/667612408.db2.gz QGQLVMPADUCCCG-UHFFFAOYSA-N -1 1 355.376 0.736 20 5 FCBDMM CCn1cc(S(=O)(=O)NN=c2nc(OC)cc(C)[n-]2)c([N+](=O)[O-])n1 ZINC000756935610 667691907 /nfs/dbraw/zinc/69/19/07/667691907.db2.gz GXZZBZHZNXVXTB-UHFFFAOYSA-N -1 1 357.352 0.224 20 5 FCBDMM CCOC(=O)c1cc(C(=O)OCc2nc(=O)n(C)[n-]2)cc([N+](=O)[O-])c1 ZINC000765410998 668005861 /nfs/dbraw/zinc/00/58/61/668005861.db2.gz VLAVJTPNWQBZPM-UHFFFAOYSA-N -1 1 350.287 0.550 20 5 FCBDMM O=C(COc1ccc([N+](=O)[O-])cc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773159903 668077280 /nfs/dbraw/zinc/07/72/80/668077280.db2.gz UFKLWXXWVKNMPC-LLVKDONJSA-N -1 1 350.360 0.803 20 5 FCBDMM COc1cc[n-]c(=NNS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)n1 ZINC000794862727 668999816 /nfs/dbraw/zinc/99/98/16/668999816.db2.gz CPPZLZALHCVRML-UHFFFAOYSA-N -1 1 355.332 0.707 20 5 FCBDMM NC(=O)NC(=O)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809825220 669641919 /nfs/dbraw/zinc/64/19/19/669641919.db2.gz BRYVKKIJLDUUIT-UHFFFAOYSA-N -1 1 368.730 0.251 20 5 FCBDMM NC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809844880 669645443 /nfs/dbraw/zinc/64/54/43/669645443.db2.gz XMEBWOOSTHUHFN-LURJTMIESA-N -1 1 358.159 0.026 20 5 FCBDMM CN1C(=O)C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1=O ZINC000815042659 669896806 /nfs/dbraw/zinc/89/68/06/669896806.db2.gz KCJMBXTWQPGFIO-ZETCQYMHSA-N -1 1 365.726 0.423 20 5 FCBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCc2nnnn2CC1 ZINC000817155562 670002273 /nfs/dbraw/zinc/00/22/73/670002273.db2.gz MFUSWCHAEOEOFW-MRVPVSSYSA-N -1 1 356.339 0.404 20 5 FCBDMM O=C(CCCCc1cn[nH]n1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847892629 671233205 /nfs/dbraw/zinc/23/32/05/671233205.db2.gz GIKFYQVRTOWLPQ-UHFFFAOYSA-N -1 1 354.348 0.326 20 5 FCBDMM O=C([O-])[C@@]1(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCOC1 ZINC000849230344 671323212 /nfs/dbraw/zinc/32/32/12/671323212.db2.gz BCTJSIHUERFJKW-LLVKDONJSA-N -1 1 368.726 0.909 20 5 FCBDMM CCn1ncn([N-]C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1=O ZINC000854630777 671591000 /nfs/dbraw/zinc/59/10/00/671591000.db2.gz JHSNFQFRJFLGLT-UHFFFAOYSA-N -1 1 350.291 0.882 20 5 FCBDMM CON(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000859403190 671823362 /nfs/dbraw/zinc/82/33/62/671823362.db2.gz XEMYOXLUHAXJPL-ZETCQYMHSA-N -1 1 351.768 0.935 20 5 FCBDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000748121296 1168961775 /nfs/dbraw/zinc/96/17/75/1168961775.db2.gz YQNFZAXENMJHFH-UHFFFAOYSA-N -1 1 360.330 0.942 20 5 FCBDMM O=C(NCCN1C(=O)COc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001115972898 1221328050 /nfs/dbraw/zinc/32/80/50/1221328050.db2.gz APJTYGKVZRHRQF-UHFFFAOYSA-N -1 1 358.310 0.851 20 5 FCBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1COCC12OCCO2 ZINC000837993583 1222666391 /nfs/dbraw/zinc/66/63/91/1222666391.db2.gz PMUGGLDGVKUIAL-GFCCVEGCSA-N -1 1 367.358 0.841 20 5 FCBDMM CCOCCOC[C@@H](O)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609240725 1289014915 /nfs/dbraw/zinc/01/49/15/1289014915.db2.gz ACDNTYGLJFIYAA-NSHDSACASA-N -1 1 352.351 0.601 20 5 FCBDMM CC(C)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CCN1 ZINC001603759940 1287490645 /nfs/dbraw/zinc/49/06/45/1287490645.db2.gz SXUDSAUBGUFYQG-GFCCVEGCSA-N -1 1 357.388 0.912 20 5 FCBDMM CC(C)[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CCN1 ZINC001603759218 1287490789 /nfs/dbraw/zinc/49/07/89/1287490789.db2.gz GPHRHENPOXUBNF-LBPRGKRZSA-N -1 1 357.388 0.912 20 5 FCBDMM C[C@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001603941137 1287541037 /nfs/dbraw/zinc/54/10/37/1287541037.db2.gz YZOCCYAZWHJKSO-ZETCQYMHSA-N -1 1 358.405 0.707 20 5 FCBDMM C[C@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001603941137 1287541040 /nfs/dbraw/zinc/54/10/40/1287541040.db2.gz YZOCCYAZWHJKSO-ZETCQYMHSA-N -1 1 358.405 0.707 20 5 FCBDMM C[C@@H](C(=O)NCc1ccc(F)cc1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001588999236 1282764289 /nfs/dbraw/zinc/76/42/89/1282764289.db2.gz ZQNLWGGBGONDEG-QMMMGPOBSA-N -1 1 360.309 0.988 20 5 FCBDMM C[C@H](O)[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590003093 1283172230 /nfs/dbraw/zinc/17/22/30/1283172230.db2.gz LMYHWWWSGSGCPR-GZMMTYOYSA-N -1 1 368.375 0.309 20 5 FCBDMM C[C@H](O)[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590003093 1283172233 /nfs/dbraw/zinc/17/22/33/1283172233.db2.gz LMYHWWWSGSGCPR-GZMMTYOYSA-N -1 1 368.375 0.309 20 5 FCBDMM CC1(C)CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[S@]1=O ZINC001590100485 1283211488 /nfs/dbraw/zinc/21/14/88/1283211488.db2.gz WOCIRTYLEAWUQX-XMMPIXPASA-N -1 1 351.392 0.907 20 5 FCBDMM CC1(C)CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC[S@]1=O ZINC001590100485 1283211491 /nfs/dbraw/zinc/21/14/91/1283211491.db2.gz WOCIRTYLEAWUQX-XMMPIXPASA-N -1 1 351.392 0.907 20 5 FCBDMM C/C=C/C[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590353662 1283497411 /nfs/dbraw/zinc/49/74/11/1283497411.db2.gz PTBZIJJJNUOAII-HPOULIHZSA-N -1 1 368.375 0.380 20 5 FCBDMM C/C=C/C[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590353662 1283497415 /nfs/dbraw/zinc/49/74/15/1283497415.db2.gz PTBZIJJJNUOAII-HPOULIHZSA-N -1 1 368.375 0.380 20 5 FCBDMM CC[C@@H](CCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590440244 1283540036 /nfs/dbraw/zinc/54/00/36/1283540036.db2.gz YTCTVMZXDMDZBG-QMMMGPOBSA-N -1 1 356.364 0.214 20 5 FCBDMM CC[C@@H](CCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590440244 1283540042 /nfs/dbraw/zinc/54/00/42/1283540042.db2.gz YTCTVMZXDMDZBG-QMMMGPOBSA-N -1 1 356.364 0.214 20 5 FCBDMM CCNS(=O)(=O)[C@H]1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001590745395 1283799678 /nfs/dbraw/zinc/79/96/78/1283799678.db2.gz QHVYJJHVSCZASZ-ZETCQYMHSA-N -1 1 373.420 0.354 20 5 FCBDMM CCNS(=O)(=O)[C@H]1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001590745395 1283799680 /nfs/dbraw/zinc/79/96/80/1283799680.db2.gz QHVYJJHVSCZASZ-ZETCQYMHSA-N -1 1 373.420 0.354 20 5 FCBDMM CCc1nnc(Sc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])n1N ZINC001590934114 1283984457 /nfs/dbraw/zinc/98/44/57/1283984457.db2.gz ZPKRABSHFQQSPN-UHFFFAOYSA-N -1 1 351.327 0.933 20 5 FCBDMM CN(CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC001591041208 1284102352 /nfs/dbraw/zinc/10/23/52/1284102352.db2.gz UHTLMIUPTBRYBI-UHFFFAOYSA-N -1 1 368.357 0.923 20 5 FCBDMM CN(CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC001591041208 1284102356 /nfs/dbraw/zinc/10/23/56/1284102356.db2.gz UHTLMIUPTBRYBI-UHFFFAOYSA-N -1 1 368.357 0.923 20 5 FCBDMM CNS(=O)(=O)[C@H]1CCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001591218680 1284357900 /nfs/dbraw/zinc/35/79/00/1284357900.db2.gz ACAGDXPFECRYFY-VIFPVBQESA-N -1 1 367.391 0.293 20 5 FCBDMM CNS(=O)(=O)[C@H]1CCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001591218680 1284357910 /nfs/dbraw/zinc/35/79/10/1284357910.db2.gz ACAGDXPFECRYFY-VIFPVBQESA-N -1 1 367.391 0.293 20 5 FCBDMM COC(=O)[C@H](O)C1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001591238111 1284385081 /nfs/dbraw/zinc/38/50/81/1284385081.db2.gz WXDSJZWJIHHMQB-CYBMUJFWSA-N -1 1 362.346 0.525 20 5 FCBDMM COC(=O)[C@H](O)C1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001591238111 1284385090 /nfs/dbraw/zinc/38/50/90/1284385090.db2.gz WXDSJZWJIHHMQB-CYBMUJFWSA-N -1 1 362.346 0.525 20 5 FCBDMM COC(=O)N1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001591274072 1284428859 /nfs/dbraw/zinc/42/88/59/1284428859.db2.gz SJRRQOSPMORQCK-MRVPVSSYSA-N -1 1 362.350 1.000 20 5 FCBDMM COC(=O)N1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001591274072 1284428860 /nfs/dbraw/zinc/42/88/60/1284428860.db2.gz SJRRQOSPMORQCK-MRVPVSSYSA-N -1 1 362.350 1.000 20 5 FCBDMM COC(=O)c1n[nH]c2c1CN(c1ccc(-c3nn[n-]n3)c([N+](=O)[O-])c1)CC2 ZINC001591307353 1284458829 /nfs/dbraw/zinc/45/88/29/1284458829.db2.gz JVIGLHWNLSEBAB-UHFFFAOYSA-N -1 1 370.329 0.847 20 5 FCBDMM CN(C)C(=O)N1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001604670809 1287722519 /nfs/dbraw/zinc/72/25/19/1287722519.db2.gz MYOBCLSVKWFZOL-UHFFFAOYSA-N -1 1 352.380 0.640 20 5 FCBDMM CN(C)C(=O)N1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001604670809 1287722530 /nfs/dbraw/zinc/72/25/30/1287722530.db2.gz MYOBCLSVKWFZOL-UHFFFAOYSA-N -1 1 352.380 0.640 20 5 FCBDMM COCc1nc2n(n1)C[C@H](Nc1cccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC001591461045 1284627495 /nfs/dbraw/zinc/62/74/95/1284627495.db2.gz MXCYILPGBNOGDD-SECBINFHSA-N -1 1 371.361 0.940 20 5 FCBDMM COCc1nc2n(n1)C[C@H](Nc1cccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC001591461045 1284627508 /nfs/dbraw/zinc/62/75/08/1284627508.db2.gz MXCYILPGBNOGDD-SECBINFHSA-N -1 1 371.361 0.940 20 5 FCBDMM COc1ncc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)cc1-c1nn[n-]n1 ZINC001591664205 1284794364 /nfs/dbraw/zinc/79/43/64/1284794364.db2.gz FTGNXOXZIVTIEM-UHFFFAOYSA-N -1 1 373.333 0.712 20 5 FCBDMM CS(=O)(=O)NC[C@@H]1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001591678391 1284815548 /nfs/dbraw/zinc/81/55/48/1284815548.db2.gz SZCUFNWGZPZVTA-ZETCQYMHSA-N -1 1 373.420 0.212 20 5 FCBDMM CS(=O)(=O)NC[C@@H]1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001591678391 1284815551 /nfs/dbraw/zinc/81/55/51/1284815551.db2.gz SZCUFNWGZPZVTA-ZETCQYMHSA-N -1 1 373.420 0.212 20 5 FCBDMM C[C@@H]1[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC001591758075 1284886353 /nfs/dbraw/zinc/88/63/53/1284886353.db2.gz LOVSQADAIRADLL-LHLIQPBNSA-N -1 1 353.364 0.345 20 5 FCBDMM C[C@@H]1[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC001591758075 1284886360 /nfs/dbraw/zinc/88/63/60/1284886360.db2.gz LOVSQADAIRADLL-LHLIQPBNSA-N -1 1 353.364 0.345 20 5 FCBDMM Cc1nc([N+](=O)[O-])cn1CCC(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001592399440 1285311787 /nfs/dbraw/zinc/31/17/87/1285311787.db2.gz HNKINOFNZMTWLJ-UHFFFAOYSA-N -1 1 358.318 0.808 20 5 FCBDMM Cc1nc([N+](=O)[O-])cn1CCC(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001592399440 1285311801 /nfs/dbraw/zinc/31/18/01/1285311801.db2.gz HNKINOFNZMTWLJ-UHFFFAOYSA-N -1 1 358.318 0.808 20 5 FCBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCOc2ccccc2[N+](=O)[O-])n1 ZINC001592558970 1285468676 /nfs/dbraw/zinc/46/86/76/1285468676.db2.gz QBCWDEHCUYBIJU-UHFFFAOYSA-N -1 1 358.318 0.916 20 5 FCBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCOc2ccccc2[N+](=O)[O-])n1 ZINC001592558970 1285468684 /nfs/dbraw/zinc/46/86/84/1285468684.db2.gz QBCWDEHCUYBIJU-UHFFFAOYSA-N -1 1 358.318 0.916 20 5 FCBDMM Cn1ncnc1C1(O)CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001592607352 1285548350 /nfs/dbraw/zinc/54/83/50/1285548350.db2.gz ZHOPQMOHJYQZRY-UHFFFAOYSA-N -1 1 371.361 0.391 20 5 FCBDMM Cn1ncnc1C1(O)CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001592607352 1285548355 /nfs/dbraw/zinc/54/83/55/1285548355.db2.gz ZHOPQMOHJYQZRY-UHFFFAOYSA-N -1 1 371.361 0.391 20 5 FCBDMM Cn1nncc1Cn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001592611135 1285556163 /nfs/dbraw/zinc/55/61/63/1285556163.db2.gz CAWSQXIOSKICJS-UHFFFAOYSA-N -1 1 353.302 0.267 20 5 FCBDMM NC(=O)[C@@H](F)C1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001592716550 1285604145 /nfs/dbraw/zinc/60/41/45/1285604145.db2.gz VLPSBSGMLWYZAL-VIFPVBQESA-N -1 1 355.355 0.876 20 5 FCBDMM NC(=O)[C@@H](F)C1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001592716550 1285604154 /nfs/dbraw/zinc/60/41/54/1285604154.db2.gz VLPSBSGMLWYZAL-VIFPVBQESA-N -1 1 355.355 0.876 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H](n2cc(CO)nn2)C1 ZINC001593465957 1286171131 /nfs/dbraw/zinc/17/11/31/1286171131.db2.gz KJYAAOAMFISOSO-JTQLQIEISA-N -1 1 372.349 0.095 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@H](n2cc(CO)nn2)C1 ZINC001593465957 1286171136 /nfs/dbraw/zinc/17/11/36/1286171136.db2.gz KJYAAOAMFISOSO-JTQLQIEISA-N -1 1 372.349 0.095 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CC3(C2)CCOC3)c1-c1nn[n-]n1 ZINC001593483965 1286174907 /nfs/dbraw/zinc/17/49/07/1286174907.db2.gz MRNJOMAGXYJWII-UHFFFAOYSA-N -1 1 366.359 0.186 20 5 FCBDMM O=[N+]([O-])c1cn(CC2=NS(=O)(=O)c3ccccc32)nc1-c1nn[n-]n1 ZINC001593486625 1286175394 /nfs/dbraw/zinc/17/53/94/1286175394.db2.gz DFSJCNFREXOAIS-UHFFFAOYSA-N -1 1 360.315 0.163 20 5 FCBDMM O=[N+]([O-])c1cn(C[C@@H]2CN(c3ccccc3)CCO2)nc1-c1nn[n-]n1 ZINC001593486652 1286175810 /nfs/dbraw/zinc/17/58/10/1286175810.db2.gz DXUIBPJZPHPERN-LBPRGKRZSA-N -1 1 356.346 0.877 20 5 FCBDMM O=c1cc(N2CC[C@H](Nc3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)nc[nH]1 ZINC001593495522 1286181628 /nfs/dbraw/zinc/18/16/28/1286181628.db2.gz GSGRYGNWVMEDQS-VIFPVBQESA-N -1 1 369.345 0.961 20 5 FCBDMM Cc1c(NC(=O)C(=O)N(C)CC2CN(C)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600025126 1286427077 /nfs/dbraw/zinc/42/70/77/1286427077.db2.gz SOULKIGRTSLEOP-UHFFFAOYSA-N -1 1 364.358 0.560 20 5 FCBDMM Cc1c(NC(=O)NCCN2CC[C@@H](O)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600042639 1286433240 /nfs/dbraw/zinc/43/32/40/1286433240.db2.gz FKBMLPVJRKEOKM-LLVKDONJSA-N -1 1 352.347 0.790 20 5 FCBDMM O=C([O-])CNC(=O)[C@@H]1CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001602068788 1286923916 /nfs/dbraw/zinc/92/39/16/1286923916.db2.gz VZDJGGSJLOZXMZ-ZDUSSCGKSA-N -1 1 364.358 0.589 20 5 FCBDMM O=C([O-])c1cc(C(=O)N[C@@H]2CCCN(CCCO)C2)cc([N+](=O)[O-])c1 ZINC001602246575 1286975141 /nfs/dbraw/zinc/97/51/41/1286975141.db2.gz HSMWYFYBYHBOQG-CYBMUJFWSA-N -1 1 351.359 0.870 20 5 FCBDMM COc1ccc(NC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)c([N+](=O)[O-])c1 ZINC001609357963 1289117276 /nfs/dbraw/zinc/11/72/76/1289117276.db2.gz NRMVVVTUYUDXSU-UHFFFAOYSA-N -1 1 371.313 0.584 20 5 FCBDMM CS(=O)(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001609366992 1289122284 /nfs/dbraw/zinc/12/22/84/1289122284.db2.gz AJUYXPMCSLZBJY-SECBINFHSA-N -1 1 367.391 0.468 20 5 FCBDMM CS(=O)(=O)N[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001605357762 1287936828 /nfs/dbraw/zinc/93/68/28/1287936828.db2.gz DDEURCYXOUGMIC-VIFPVBQESA-N -1 1 367.391 0.293 20 5 FCBDMM CS(=O)(=O)N[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001605357762 1287936829 /nfs/dbraw/zinc/93/68/29/1287936829.db2.gz DDEURCYXOUGMIC-VIFPVBQESA-N -1 1 367.391 0.293 20 5 FCBDMM CN1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H](C(=O)[O-])C1 ZINC001606236490 1288223660 /nfs/dbraw/zinc/22/36/60/1288223660.db2.gz ZYWBMFDDECIDET-VIFPVBQESA-N -1 1 351.315 0.412 20 5 FCBDMM NS(=O)(=O)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001606441160 1288320455 /nfs/dbraw/zinc/32/04/55/1288320455.db2.gz UTOFKLWHTIFQOZ-SECBINFHSA-N -1 1 353.364 0.032 20 5 FCBDMM O=C1NCCN1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001607053496 1288624600 /nfs/dbraw/zinc/62/46/00/1288624600.db2.gz URSCZZBOYMSNLE-LLVKDONJSA-N -1 1 358.362 0.769 20 5 FCBDMM O=C1NCCN1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001607053496 1288624602 /nfs/dbraw/zinc/62/46/02/1288624602.db2.gz URSCZZBOYMSNLE-LLVKDONJSA-N -1 1 358.362 0.769 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)N[C@@H]2CCSC2)c1 ZINC001607078869 1288649933 /nfs/dbraw/zinc/64/99/33/1288649933.db2.gz AZEIBYSKACSZEE-SSDOTTSWSA-N -1 1 356.389 0.559 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)N[C@@H]2CCSC2)c1 ZINC001607078869 1288649935 /nfs/dbraw/zinc/64/99/35/1288649935.db2.gz AZEIBYSKACSZEE-SSDOTTSWSA-N -1 1 356.389 0.559 20 5 FCBDMM C[C@@H]1CN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)N1C ZINC001607478341 1288717093 /nfs/dbraw/zinc/71/70/93/1288717093.db2.gz STTRCNNHKLKDQL-PHIMTYICSA-N -1 1 350.375 0.938 20 5 FCBDMM C[C@@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)n1cnc(-c2nn[n-]n2)n1 ZINC001609067876 1288897874 /nfs/dbraw/zinc/89/78/74/1288897874.db2.gz APVLNDLIMYXROC-QMMMGPOBSA-N -1 1 355.318 0.470 20 5 FCBDMM C[C@@]1(CO)CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001609149700 1288950212 /nfs/dbraw/zinc/95/02/12/1288950212.db2.gz XHBRQCXKWZXEJK-ZDUSSCGKSA-N -1 1 368.375 0.310 20 5 FCBDMM O=C(Cn1ccc([N+](=O)[O-])n1)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001609537685 1289204646 /nfs/dbraw/zinc/20/46/46/1289204646.db2.gz KSVSGDKSHKHQBL-UHFFFAOYSA-N -1 1 364.272 0.566 20 5 FCBDMM O=C(Cn1ccc([N+](=O)[O-])n1)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001609537685 1289204653 /nfs/dbraw/zinc/20/46/53/1289204653.db2.gz KSVSGDKSHKHQBL-UHFFFAOYSA-N -1 1 364.272 0.566 20 5 FCBDMM O=C(N[C@H]1CCS(=O)(=O)C2(CCC2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001156395540 849905924 /nfs/dbraw/zinc/90/59/24/849905924.db2.gz GEPXQPYTUARUKX-JTQLQIEISA-N -1 1 355.372 0.925 20 5 FCBDMM COC(=O)c1nc(Cl)nc(Nc2[n-]c(=O)nc3nc[nH]c32)c1[N+](=O)[O-] ZINC001159192559 850100807 /nfs/dbraw/zinc/10/08/07/850100807.db2.gz RRKKDIGANQIPDC-UHFFFAOYSA-N -1 1 366.681 0.940 20 5 FCBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC[C@H]2COCCOCCOCCO2)n1 ZINC001231263844 857357778 /nfs/dbraw/zinc/35/77/78/857357778.db2.gz NELDTMNXRSYWOI-GFCCVEGCSA-N -1 1 358.347 0.831 20 5 FCBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCS(=O)(=O)C2)cc1F ZINC001309044496 866732771 /nfs/dbraw/zinc/73/27/71/866732771.db2.gz YKJKWMLIBGIOAC-SECBINFHSA-N -1 1 366.392 0.755 20 5 FCBDMM COC(=O)[C@H]1C[C@@H]2C[C@H]([N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])[C@@H]2C1 ZINC001309911857 866965145 /nfs/dbraw/zinc/96/51/45/866965145.db2.gz FIQLUHQHKITLST-YTWAJWBKSA-N -1 1 355.372 0.856 20 5 FCBDMM C[C@@H](C(=O)NCCc1cccs1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001573717826 948510819 /nfs/dbraw/zinc/51/08/19/948510819.db2.gz NONXJOQEWZUDAC-QMMMGPOBSA-N -1 1 362.375 0.953 20 5 FCBDMM C[C@@](Cn1cccn1)(NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001592926721 979951373 /nfs/dbraw/zinc/95/13/73/979951373.db2.gz XBNGXJCHEIRWNG-ZDUSSCGKSA-N -1 1 372.334 0.752 20 5 FCBDMM C[C@@H]1CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)[C@H](C)CN1CCO ZINC001594537194 986158527 /nfs/dbraw/zinc/15/85/27/986158527.db2.gz GIKIKMUGCZJCSF-CHWSQXEVSA-N -1 1 367.402 0.945 20 5 FCBDMM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1CS(N)(=O)=O ZINC001599865899 989255259 /nfs/dbraw/zinc/25/52/59/989255259.db2.gz LYUUPJAAFDLDDC-SKDRFNHKSA-N -1 1 357.388 0.649 20 5 FCBDMM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001599622618 994104621 /nfs/dbraw/zinc/10/46/21/994104621.db2.gz WKDMUOWLKWWUMK-GMOODISLSA-N -1 1 353.331 0.762 20 5 FCBDMM CC[C@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000295868192 214322643 /nfs/dbraw/zinc/32/26/43/214322643.db2.gz YPWCMVGZUPAOKG-MRVPVSSYSA-N -1 1 369.396 0.340 20 5 FCBDMM CN(CCc1ccccn1)C(=O)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277778763 212396202 /nfs/dbraw/zinc/39/62/02/212396202.db2.gz UCIPOUQMJHUEJL-UHFFFAOYSA-N -1 1 359.342 0.521 20 5 FCBDMM CN1C(=O)CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1=O ZINC000425233486 247310718 /nfs/dbraw/zinc/31/07/18/247310718.db2.gz YMRAMIOZVHXHME-MRVPVSSYSA-N -1 1 361.763 0.674 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)C(=O)N2CCCC[C@@H]2C)c([N+](=O)[O-])n1 ZINC000435810950 248020177 /nfs/dbraw/zinc/02/01/77/248020177.db2.gz VDTPMIARGUEWGS-QWRGUYRKSA-N -1 1 373.435 0.879 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@H](CO)Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000438897648 248101269 /nfs/dbraw/zinc/10/12/69/248101269.db2.gz WEETXAFKBQWIFD-LBPRGKRZSA-N -1 1 354.388 0.693 20 5 FCBDMM CCOC(=O)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000445147534 248374789 /nfs/dbraw/zinc/37/47/89/248374789.db2.gz TVLBKAXQHLLBGG-GFCCVEGCSA-N -1 1 353.331 0.784 20 5 FCBDMM COC(=O)C[C@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000270925104 211299303 /nfs/dbraw/zinc/29/93/03/211299303.db2.gz OPTGPYDIXRCZSV-NSHDSACASA-N -1 1 374.371 0.161 20 5 FCBDMM COC[C@@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000269863270 211102560 /nfs/dbraw/zinc/10/25/60/211102560.db2.gz ZLBNJSXZVWZGDF-QMMMGPOBSA-N -1 1 369.193 0.643 20 5 FCBDMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000324627899 488906237 /nfs/dbraw/zinc/90/62/37/488906237.db2.gz SYFVKXWCAJMLBR-JTQLQIEISA-N -1 1 358.307 0.431 20 5 FCBDMM CNS(=O)(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000031747816 487764392 /nfs/dbraw/zinc/76/43/92/487764392.db2.gz XHNIQAWYKHMEJP-UHFFFAOYSA-N -1 1 366.355 0.121 20 5 FCBDMM CCC[C@H](NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1nn[n-]n1 ZINC000272791272 488605771 /nfs/dbraw/zinc/60/57/71/488605771.db2.gz AUHMCOOKZVFHPY-NSHDSACASA-N -1 1 361.362 0.804 20 5 FCBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCS(=O)(=O)C1 ZINC000263708601 488620597 /nfs/dbraw/zinc/62/05/97/488620597.db2.gz 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Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000822620253 606158435 /nfs/dbraw/zinc/15/84/35/606158435.db2.gz OKVQBSIJVSOCCW-UHFFFAOYSA-N -1 1 357.334 0.873 20 5 FCBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000822620253 606158437 /nfs/dbraw/zinc/15/84/37/606158437.db2.gz OKVQBSIJVSOCCW-UHFFFAOYSA-N -1 1 357.334 0.873 20 5 FCBDMM NS(=O)(=O)CC1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000822895227 606646136 /nfs/dbraw/zinc/64/61/36/606646136.db2.gz OMUQNVIEBYCZAJ-UHFFFAOYSA-N -1 1 367.391 0.280 20 5 FCBDMM CCN(CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])S(C)(=O)=O ZINC000821207894 606701322 /nfs/dbraw/zinc/70/13/22/606701322.db2.gz XJYSDSLMECAUFQ-UHFFFAOYSA-N -1 1 370.395 0.253 20 5 FCBDMM CCN(CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])S(C)(=O)=O ZINC000821207894 606701323 /nfs/dbraw/zinc/70/13/23/606701323.db2.gz XJYSDSLMECAUFQ-UHFFFAOYSA-N -1 1 370.395 0.253 20 5 FCBDMM CCOc1ncnc2c1CN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC000821442334 606704450 /nfs/dbraw/zinc/70/44/50/606704450.db2.gz QWWQSBXGGAPDNR-UHFFFAOYSA-N -1 1 369.345 0.921 20 5 FCBDMM CCOc1ncnc2c1CN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC000821442334 606704452 /nfs/dbraw/zinc/70/44/52/606704452.db2.gz QWWQSBXGGAPDNR-UHFFFAOYSA-N -1 1 369.345 0.921 20 5 FCBDMM CCN(CCOC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821214752 606732255 /nfs/dbraw/zinc/73/22/55/606732255.db2.gz LBSUSZMJARJJNZ-UHFFFAOYSA-N -1 1 356.364 0.432 20 5 FCBDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000820804666 606807411 /nfs/dbraw/zinc/80/74/11/606807411.db2.gz WZSBEUPSWCICMG-SNVBAGLBSA-N -1 1 368.361 0.675 20 5 FCBDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000820804666 606807412 /nfs/dbraw/zinc/80/74/12/606807412.db2.gz WZSBEUPSWCICMG-SNVBAGLBSA-N -1 1 368.361 0.675 20 5 FCBDMM Cc1cc([N+](=O)[O-])cn(Cc2cc(=O)n3ncc(-c4nn[n-]n4)c3[nH]2)c1=O ZINC000822212787 607170836 /nfs/dbraw/zinc/17/08/36/607170836.db2.gz HOPFUKGBRWZSBZ-UHFFFAOYSA-N -1 1 369.301 0.042 20 5 FCBDMM C[C@H]1COCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000825005661 607819151 /nfs/dbraw/zinc/81/91/51/607819151.db2.gz BNPQZZUFHROYFH-SECBINFHSA-N -1 1 368.375 0.432 20 5 FCBDMM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826460990 608011758 /nfs/dbraw/zinc/01/17/58/608011758.db2.gz AOYHATBLHGXGTR-QMMMGPOBSA-N -1 1 368.331 0.013 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCC[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826500306 608126244 /nfs/dbraw/zinc/12/62/44/608126244.db2.gz SVMGIQDDMKOZEW-VIFPVBQESA-N -1 1 368.375 0.480 20 5 FCBDMM CS(=O)(=O)c1n[n-]c(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)n1 ZINC000725894519 664227305 /nfs/dbraw/zinc/22/73/05/664227305.db2.gz VKKLOYGFMKLXMQ-UHFFFAOYSA-N -1 1 365.331 0.105 20 5 FCBDMM CS(=O)(=O)c1nnc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[n-]1 ZINC000725894519 664227309 /nfs/dbraw/zinc/22/73/09/664227309.db2.gz VKKLOYGFMKLXMQ-UHFFFAOYSA-N -1 1 365.331 0.105 20 5 FCBDMM O=C1OCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000728578160 665153257 /nfs/dbraw/zinc/15/32/57/665153257.db2.gz ZFWYGBHAAFBGSS-ZETCQYMHSA-N -1 1 365.161 0.951 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C2CCC3(CC2)OCCO3)c([N+](=O)[O-])n1 ZINC000754793755 667610786 /nfs/dbraw/zinc/61/07/86/667610786.db2.gz YIPKDGXALHXJKZ-UHFFFAOYSA-N -1 1 360.392 0.775 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](O)c2ccccc2F)c([N+](=O)[O-])n1 ZINC000754806208 667611613 /nfs/dbraw/zinc/61/16/13/667611613.db2.gz UUBQINAPPRRHRR-NSHDSACASA-N -1 1 358.351 0.962 20 5 FCBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCS(=O)(=O)CC1CC1 ZINC000765229469 668003011 /nfs/dbraw/zinc/00/30/11/668003011.db2.gz IIDFSKTVEADBBG-UHFFFAOYSA-N -1 1 366.392 0.837 20 5 FCBDMM Cc1cc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc([N+](=O)[O-])c1F ZINC000776437871 668262446 /nfs/dbraw/zinc/26/24/46/668262446.db2.gz OCMSWYBWYQLPLV-SNVBAGLBSA-N -1 1 372.334 0.740 20 5 FCBDMM O=C(CCn1cc[n-]c(=O)c1=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000778462953 668369930 /nfs/dbraw/zinc/36/99/30/668369930.db2.gz MOHKKMKUZCNSSS-UHFFFAOYSA-N -1 1 366.761 0.847 20 5 FCBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000784213824 668647164 /nfs/dbraw/zinc/64/71/64/668647164.db2.gz HUXHUWMGNQIRPQ-WCBMZHEXSA-N -1 1 372.355 0.149 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2nnnn2C2CC2)c([N+](=O)[O-])n1 ZINC000790943182 668884546 /nfs/dbraw/zinc/88/45/46/668884546.db2.gz WMJHXHAEZRMLGD-ZETCQYMHSA-N -1 1 356.368 0.172 20 5 FCBDMM CNC(=O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795773794 669061011 /nfs/dbraw/zinc/06/10/11/669061011.db2.gz CEJZSQUISSVKAE-UHFFFAOYSA-N -1 1 370.156 0.521 20 5 FCBDMM C[C@H](O)C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824699042 669408462 /nfs/dbraw/zinc/40/84/62/669408462.db2.gz PRODGZKUQOPWLT-YUMQZZPRSA-N -1 1 356.364 0.213 20 5 FCBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCn2ncnn2)cc1Cl ZINC000809826017 669642054 /nfs/dbraw/zinc/64/20/54/669642054.db2.gz RVTGNGJBJIPEOH-UHFFFAOYSA-N -1 1 350.719 0.352 20 5 FCBDMM CNC(=O)[C@@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809838179 669644060 /nfs/dbraw/zinc/64/40/60/669644060.db2.gz RSEVNBBRUCOTFF-QMMMGPOBSA-N -1 1 372.186 0.287 20 5 FCBDMM COC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815031130 669896164 /nfs/dbraw/zinc/89/61/64/669896164.db2.gz NCFVOKZEVMFJLL-ZETCQYMHSA-N -1 1 356.715 0.200 20 5 FCBDMM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)[N-]c1ncn(CC(=O)N(C)C)n1 ZINC000843805986 670857882 /nfs/dbraw/zinc/85/78/82/670857882.db2.gz KCIHWNYVUFFXGT-UHFFFAOYSA-N -1 1 350.310 0.974 20 5 FCBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])n1 ZINC000863406846 672121906 /nfs/dbraw/zinc/12/19/06/672121906.db2.gz LPCIRYBNDYZKNQ-SNVBAGLBSA-N -1 1 360.392 0.888 20 5 FCBDMM C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1=O ZINC000790889737 1201116046 /nfs/dbraw/zinc/11/60/46/1201116046.db2.gz ICNADDCCZSJYMW-INIZCTEOSA-N -1 1 371.309 0.807 20 5 FCBDMM Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000777359228 1210995405 /nfs/dbraw/zinc/99/54/05/1210995405.db2.gz DESONXQLQPPTDZ-UHFFFAOYSA-N -1 1 373.325 0.799 20 5 FCBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)NCCCN1CCCC1=O ZINC000780072715 1218174288 /nfs/dbraw/zinc/17/42/88/1218174288.db2.gz SXIZADDUHCVCAF-UHFFFAOYSA-N -1 1 365.342 0.586 20 5 FCBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000780076866 1218189410 /nfs/dbraw/zinc/18/94/10/1218189410.db2.gz XMUOCSRKXLPGBS-SECBINFHSA-N -1 1 365.342 0.570 20 5 FCBDMM O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798147516 1221280410 /nfs/dbraw/zinc/28/04/10/1221280410.db2.gz BBJDWHFAKQUSKT-UHFFFAOYSA-N -1 1 357.330 0.713 20 5 FCBDMM O=C(c1ncccc1[O-])N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000944916871 1247683342 /nfs/dbraw/zinc/68/33/42/1247683342.db2.gz MRPBGAGISYNJQF-VXGBXAGGSA-N -1 1 360.370 0.517 20 5 FCBDMM C[C@@H]1CCC(=O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001576103052 1272887418 /nfs/dbraw/zinc/88/74/18/1272887418.db2.gz ZLPACULDMBKBAJ-MRVPVSSYSA-N -1 1 366.359 0.517 20 5 FCBDMM CN(Cc1cn[nH]c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001579260556 1277054636 /nfs/dbraw/zinc/05/46/36/1277054636.db2.gz AYUXDXPPPZBGRW-UHFFFAOYSA-N -1 1 364.347 0.319 20 5 FCBDMM CN(Cc1cn[nH]c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001579260556 1277054639 /nfs/dbraw/zinc/05/46/39/1277054639.db2.gz AYUXDXPPPZBGRW-UHFFFAOYSA-N -1 1 364.347 0.319 20 5 FCBDMM COC(=O)c1ccc([N+](=O)[O-])c(Cn2cccc(-c3nn[n-]n3)c2=O)c1 ZINC001579486384 1277395875 /nfs/dbraw/zinc/39/58/75/1277395875.db2.gz XACLEIUIWAOWTB-UHFFFAOYSA-N -1 1 356.298 0.772 20 5 FCBDMM C[C@@H]1CSC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001603946409 1287542659 /nfs/dbraw/zinc/54/26/59/1287542659.db2.gz CVSCAXWPTPMBMX-SFYZADRCSA-N -1 1 370.416 0.805 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)NC[C@@H]2CCC[C@H]2O)c1 ZINC001582803756 1282029904 /nfs/dbraw/zinc/02/99/04/1282029904.db2.gz TYBSQHUEPPYLIE-GZMMTYOYSA-N -1 1 368.375 0.214 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)NC[C@@H]2CCC[C@H]2O)c1 ZINC001582803756 1282029906 /nfs/dbraw/zinc/02/99/06/1282029906.db2.gz TYBSQHUEPPYLIE-GZMMTYOYSA-N -1 1 368.375 0.214 20 5 FCBDMM O=c1c(Br)cn(-c2ccnc(-c3nn[n-]n3)n2)cc1[N+](=O)[O-] ZINC001582805908 1282030013 /nfs/dbraw/zinc/03/00/13/1282030013.db2.gz BQHAPXPOUKRXMR-UHFFFAOYSA-N -1 1 365.107 0.478 20 5 FCBDMM CCOC(=O)[C@]1(C)CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001604366492 1287617063 /nfs/dbraw/zinc/61/70/63/1287617063.db2.gz BDMLZIHLMYAIPB-HNNXBMFYSA-N -1 1 362.346 0.933 20 5 FCBDMM CCOC(=O)[C@]1(C)CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001604366492 1287617065 /nfs/dbraw/zinc/61/70/65/1287617065.db2.gz BDMLZIHLMYAIPB-HNNXBMFYSA-N -1 1 362.346 0.933 20 5 FCBDMM C[C@](O)(CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1)C1CC1 ZINC001589992013 1283162337 /nfs/dbraw/zinc/16/23/37/1283162337.db2.gz WJZGBRRTVWPDJB-ZDUSSCGKSA-N -1 1 368.375 0.214 20 5 FCBDMM C[C@](O)(CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1)C1CC1 ZINC001589992013 1283162342 /nfs/dbraw/zinc/16/23/42/1283162342.db2.gz WJZGBRRTVWPDJB-ZDUSSCGKSA-N -1 1 368.375 0.214 20 5 FCBDMM C[C@@]1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CCOC1 ZINC001590148833 1283246163 /nfs/dbraw/zinc/24/61/63/1283246163.db2.gz VEXNWVXNBZMHNK-GFCCVEGCSA-N -1 1 354.348 0.232 20 5 FCBDMM C[C@@]1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CCOC1 ZINC001590148833 1283246168 /nfs/dbraw/zinc/24/61/68/1283246168.db2.gz VEXNWVXNBZMHNK-GFCCVEGCSA-N -1 1 354.348 0.232 20 5 FCBDMM C[C@@]12CN(c3cc(-c4nnn[n-]4)sc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC001590155361 1283251050 /nfs/dbraw/zinc/25/10/50/1283251050.db2.gz IHMUQHGXEDUPPD-STQMWFEESA-N -1 1 363.359 0.325 20 5 FCBDMM C[C@@]12CN(c3cc(-c4nn[n-]n4)sc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC001590155361 1283251059 /nfs/dbraw/zinc/25/10/59/1283251059.db2.gz IHMUQHGXEDUPPD-STQMWFEESA-N -1 1 363.359 0.325 20 5 FCBDMM C[C@@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@H](C)O1 ZINC001590206005 1283325029 /nfs/dbraw/zinc/32/50/29/1283325029.db2.gz GNWLDQCQDRPARB-VGMNWLOBSA-N -1 1 368.375 0.619 20 5 FCBDMM C[C@H]1COCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C1 ZINC001590324714 1283468440 /nfs/dbraw/zinc/46/84/40/1283468440.db2.gz CHTIFPFZHBQYHR-SECBINFHSA-N -1 1 368.375 0.432 20 5 FCBDMM C[C@H]1COCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)C1 ZINC001590324714 1283468446 /nfs/dbraw/zinc/46/84/46/1283468446.db2.gz CHTIFPFZHBQYHR-SECBINFHSA-N -1 1 368.375 0.432 20 5 FCBDMM C/C=C\C[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590353664 1283495208 /nfs/dbraw/zinc/49/52/08/1283495208.db2.gz PTBZIJJJNUOAII-XADBCAIWSA-N -1 1 368.375 0.380 20 5 FCBDMM C/C=C\C[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590353664 1283495215 /nfs/dbraw/zinc/49/52/15/1283495215.db2.gz PTBZIJJJNUOAII-XADBCAIWSA-N -1 1 368.375 0.380 20 5 FCBDMM CC[C@@](C)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)OC ZINC001590381357 1283509493 /nfs/dbraw/zinc/50/94/93/1283509493.db2.gz JUQMDRNCAFAAJM-ZDUSSCGKSA-N -1 1 370.391 0.868 20 5 FCBDMM CC[C@@H](C[C@@H](C)O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001590421387 1283532847 /nfs/dbraw/zinc/53/28/47/1283532847.db2.gz IKUJEMAEMKYOEB-BDAKNGLRSA-N -1 1 370.391 0.603 20 5 FCBDMM CCOC(=O)[C@@](C)(O)CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590749681 1283800986 /nfs/dbraw/zinc/80/09/86/1283800986.db2.gz AGWIGCIXJLURDK-AWEZNQCLSA-N -1 1 350.335 0.809 20 5 FCBDMM CCOC(=O)[C@@](C)(O)CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590749681 1283800994 /nfs/dbraw/zinc/80/09/94/1283800994.db2.gz AGWIGCIXJLURDK-AWEZNQCLSA-N -1 1 350.335 0.809 20 5 FCBDMM CCOC(=O)[C@@]1(C)CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001590755029 1283813889 /nfs/dbraw/zinc/81/38/89/1283813889.db2.gz CALCNCTWHCQLDN-CYBMUJFWSA-N -1 1 368.375 0.995 20 5 FCBDMM CCOC(=O)[C@@]1(C)CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001590755029 1283813897 /nfs/dbraw/zinc/81/38/97/1283813897.db2.gz CALCNCTWHCQLDN-CYBMUJFWSA-N -1 1 368.375 0.995 20 5 FCBDMM CCn1nc2c(cc1=O)CN(c1ccc([N+](=O)[O-])c(-c3nnn[n-]3)c1)CC2 ZINC001590966119 1284021176 /nfs/dbraw/zinc/02/11/76/1284021176.db2.gz TYFNVNHIVCCPAB-UHFFFAOYSA-N -1 1 368.357 0.914 20 5 FCBDMM CCn1nc2c(cc1=O)CN(c1ccc([N+](=O)[O-])c(-c3nn[n-]n3)c1)CC2 ZINC001590966119 1284021182 /nfs/dbraw/zinc/02/11/82/1284021182.db2.gz TYFNVNHIVCCPAB-UHFFFAOYSA-N -1 1 368.357 0.914 20 5 FCBDMM CN(C(=O)Cn1ccc(-c2nn[n-]n2)cc1=O)c1ccc([N+](=O)[O-])cc1 ZINC001590986416 1284044650 /nfs/dbraw/zinc/04/46/50/1284044650.db2.gz WIMXPMHHUMIHMQ-UHFFFAOYSA-N -1 1 355.314 0.600 20 5 FCBDMM CN(C)C(=O)N(C)[C@H]1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001591003455 1284065685 /nfs/dbraw/zinc/06/56/85/1284065685.db2.gz RPTWSDULCPMCIW-JTQLQIEISA-N -1 1 360.378 0.967 20 5 FCBDMM CN(C)C(=O)N(C)[C@H]1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001591003455 1284065695 /nfs/dbraw/zinc/06/56/95/1284065695.db2.gz RPTWSDULCPMCIW-JTQLQIEISA-N -1 1 360.378 0.967 20 5 FCBDMM CN(C)c1ncc(CN(C)c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)cn1 ZINC001591035370 1284094446 /nfs/dbraw/zinc/09/44/46/1284094446.db2.gz LVIGXWMOQSOHJJ-UHFFFAOYSA-N -1 1 370.377 0.850 20 5 FCBDMM CN(C)c1ncc(CN(C)c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)cn1 ZINC001591035370 1284094455 /nfs/dbraw/zinc/09/44/55/1284094455.db2.gz LVIGXWMOQSOHJJ-UHFFFAOYSA-N -1 1 370.377 0.850 20 5 FCBDMM CN(CCN1CCCS1(=O)=O)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591096412 1284165343 /nfs/dbraw/zinc/16/53/43/1284165343.db2.gz XEHHOIOGWRKZSH-UHFFFAOYSA-N -1 1 367.391 0.247 20 5 FCBDMM CN(CCN1CCCS1(=O)=O)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591096412 1284165350 /nfs/dbraw/zinc/16/53/50/1284165350.db2.gz XEHHOIOGWRKZSH-UHFFFAOYSA-N -1 1 367.391 0.247 20 5 FCBDMM CN(C[C@H]1C[C@@H](O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001591125240 1284199459 /nfs/dbraw/zinc/19/94/59/1284199459.db2.gz ATXDKWPIWCJAGZ-DTORHVGOSA-N -1 1 368.375 0.166 20 5 FCBDMM CN(C[C@H]1C[C@@H](O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001591125240 1284199463 /nfs/dbraw/zinc/19/94/63/1284199463.db2.gz ATXDKWPIWCJAGZ-DTORHVGOSA-N -1 1 368.375 0.166 20 5 FCBDMM CN(c1ccc([N+](=O)[O-])nc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001591156469 1284229481 /nfs/dbraw/zinc/22/94/81/1284229481.db2.gz ISSNFEASXIQAKK-UHFFFAOYSA-N -1 1 362.331 0.390 20 5 FCBDMM CN(c1ccc([N+](=O)[O-])nc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001591156469 1284229489 /nfs/dbraw/zinc/22/94/89/1284229489.db2.gz ISSNFEASXIQAKK-UHFFFAOYSA-N -1 1 362.331 0.390 20 5 FCBDMM COC(=O)[C@@]1(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCOC1 ZINC001591241968 1284390721 /nfs/dbraw/zinc/39/07/21/1284390721.db2.gz HDSJGAMIYJPMPJ-GFCCVEGCSA-N -1 1 354.348 0.828 20 5 FCBDMM COC(=O)[C@@]1(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCOC1 ZINC001591241968 1284390726 /nfs/dbraw/zinc/39/07/26/1284390726.db2.gz HDSJGAMIYJPMPJ-GFCCVEGCSA-N -1 1 354.348 0.828 20 5 FCBDMM CON(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001591462214 1284628259 /nfs/dbraw/zinc/62/82/59/1284628259.db2.gz DWGGFAFFKGCYRW-UHFFFAOYSA-N -1 1 359.302 0.110 20 5 FCBDMM CS(=O)(=O)NC[C@H]1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001591678389 1284816729 /nfs/dbraw/zinc/81/67/29/1284816729.db2.gz SZCUFNWGZPZVTA-SSDOTTSWSA-N -1 1 373.420 0.212 20 5 FCBDMM CS(=O)(=O)NC[C@H]1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001591678389 1284816734 /nfs/dbraw/zinc/81/67/34/1284816734.db2.gz SZCUFNWGZPZVTA-SSDOTTSWSA-N -1 1 373.420 0.212 20 5 FCBDMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC001591773637 1284896679 /nfs/dbraw/zinc/89/66/79/1284896679.db2.gz AVVFRULONYBFFU-VIFPVBQESA-N -1 1 367.391 0.245 20 5 FCBDMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC001591773637 1284896688 /nfs/dbraw/zinc/89/66/88/1284896688.db2.gz AVVFRULONYBFFU-VIFPVBQESA-N -1 1 367.391 0.245 20 5 FCBDMM Cc1c(-c2nn[n-]n2)c(=O)n(Cc2cc(F)ccc2[N+](=O)[O-])c(=O)n1C ZINC001591794946 1284909058 /nfs/dbraw/zinc/90/90/58/1284909058.db2.gz IOMSRQPSAYIYDA-UHFFFAOYSA-N -1 1 361.293 0.131 20 5 FCBDMM Cc1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c(N)c([N+](=O)[O-])c1 ZINC001591929278 1285015514 /nfs/dbraw/zinc/01/55/14/1285015514.db2.gz UEFQJUIKIYQNPT-UHFFFAOYSA-N -1 1 354.330 0.991 20 5 FCBDMM Cc1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c(N)c([N+](=O)[O-])c1 ZINC001591929278 1285015528 /nfs/dbraw/zinc/01/55/28/1285015528.db2.gz UEFQJUIKIYQNPT-UHFFFAOYSA-N -1 1 354.330 0.991 20 5 FCBDMM Cc1ncc([N+](=O)[O-])n1CCn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001592413075 1285329255 /nfs/dbraw/zinc/32/92/55/1285329255.db2.gz ORVUBWQOGWFTIX-UHFFFAOYSA-N -1 1 356.346 0.630 20 5 FCBDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC001592504073 1285428361 /nfs/dbraw/zinc/42/83/61/1285428361.db2.gz SLGYOWNYYVZONK-UHFFFAOYSA-N -1 1 360.286 0.695 20 5 FCBDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC001592504073 1285428367 /nfs/dbraw/zinc/42/83/67/1285428367.db2.gz SLGYOWNYYVZONK-UHFFFAOYSA-N -1 1 360.286 0.695 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)N1CCc2sccc2C1 ZINC001592937428 1285826349 /nfs/dbraw/zinc/82/63/49/1285826349.db2.gz AHZGVUDUUWXFSQ-UHFFFAOYSA-N -1 1 360.359 0.618 20 5 FCBDMM CN(c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001609281474 1289043589 /nfs/dbraw/zinc/04/35/89/1289043589.db2.gz HOZPKSAHMMPSNH-SNVBAGLBSA-N -1 1 367.391 0.245 20 5 FCBDMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001593147487 1286019444 /nfs/dbraw/zinc/01/94/44/1286019444.db2.gz VURJHXPAROPSED-CYBMUJFWSA-N -1 1 355.314 0.520 20 5 FCBDMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001593147487 1286019445 /nfs/dbraw/zinc/01/94/45/1286019445.db2.gz VURJHXPAROPSED-CYBMUJFWSA-N -1 1 355.314 0.520 20 5 FCBDMM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001593292899 1286065887 /nfs/dbraw/zinc/06/58/87/1286065887.db2.gz LOMGMBYTIRMFQV-UHFFFAOYSA-N -1 1 357.286 0.189 20 5 FCBDMM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001593292899 1286065889 /nfs/dbraw/zinc/06/58/89/1286065889.db2.gz LOMGMBYTIRMFQV-UHFFFAOYSA-N -1 1 357.286 0.189 20 5 FCBDMM O=C1NC(=O)C2(CCC(Nc3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CC2)N1 ZINC001593401904 1286123576 /nfs/dbraw/zinc/12/35/76/1286123576.db2.gz SVBSOJDBUNOSMB-UHFFFAOYSA-N -1 1 372.345 0.708 20 5 FCBDMM O=c1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])nc2ccccn12 ZINC001593495714 1286181095 /nfs/dbraw/zinc/18/10/95/1286181095.db2.gz RTAHYVBQSWZCNU-UHFFFAOYSA-N -1 1 365.313 0.790 20 5 FCBDMM O=c1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])nc2ccccn12 ZINC001593495714 1286181099 /nfs/dbraw/zinc/18/10/99/1286181099.db2.gz RTAHYVBQSWZCNU-UHFFFAOYSA-N -1 1 365.313 0.790 20 5 FCBDMM COCCOC[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001609327110 1289099258 /nfs/dbraw/zinc/09/92/58/1289099258.db2.gz XQBMSRJNXXAQGR-JTQLQIEISA-N -1 1 363.378 0.846 20 5 FCBDMM COCCOC[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001609327110 1289099266 /nfs/dbraw/zinc/09/92/66/1289099266.db2.gz XQBMSRJNXXAQGR-JTQLQIEISA-N -1 1 363.378 0.846 20 5 FCBDMM COCCn1nnc2c1CCN(c1ccc(-c3nn[n-]n3)c([N+](=O)[O-])c1)C2 ZINC001609330197 1289101606 /nfs/dbraw/zinc/10/16/06/1289101606.db2.gz BDXPRNWJUZSSEY-UHFFFAOYSA-N -1 1 371.361 0.576 20 5 FCBDMM O=C([O-])CN1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC001602062527 1286917609 /nfs/dbraw/zinc/91/76/09/1286917609.db2.gz OTAWZPDHHYZJAO-UHFFFAOYSA-N -1 1 360.326 0.691 20 5 FCBDMM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)n1cnc(-c3nn[n-]n3)n1)CC2 ZINC001605756637 1288074338 /nfs/dbraw/zinc/07/43/38/1288074338.db2.gz JDMWFJQDOPZZJN-VIFPVBQESA-N -1 1 369.345 0.825 20 5 FCBDMM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001605755157 1288074482 /nfs/dbraw/zinc/07/44/82/1288074482.db2.gz MMJUJQXKAGTOAO-UHFFFAOYSA-N -1 1 372.349 0.805 20 5 FCBDMM O=C(NC1CC1)[C@H](c1ccccc1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001606648204 1288423778 /nfs/dbraw/zinc/42/37/78/1288423778.db2.gz NPJNOYRSWUEMHA-ZDUSSCGKSA-N -1 1 354.330 0.839 20 5 FCBDMM O=C(NC1CC1)[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001606653706 1288425015 /nfs/dbraw/zinc/42/50/15/1288425015.db2.gz PXYVEDPSKGASTJ-SECBINFHSA-N -1 1 358.362 0.665 20 5 FCBDMM O=C(NC1CC1)[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001606653706 1288425017 /nfs/dbraw/zinc/42/50/17/1288425017.db2.gz PXYVEDPSKGASTJ-SECBINFHSA-N -1 1 358.362 0.665 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCC=CO2)c1-c1nn[n-]n1 ZINC001607085124 1288651780 /nfs/dbraw/zinc/65/17/80/1288651780.db2.gz KCKJNJREDAUGLH-SECBINFHSA-N -1 1 366.359 0.746 20 5 FCBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001607085394 1288653604 /nfs/dbraw/zinc/65/36/04/1288653604.db2.gz SDTNQUYCKZCPLG-UHFFFAOYSA-N -1 1 361.343 0.648 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCO[C@@H](CF)C2)c1-c1nn[n-]n1 ZINC001607085547 1288653708 /nfs/dbraw/zinc/65/37/08/1288653708.db2.gz VEVQRFUTADMLPA-QMMMGPOBSA-N -1 1 372.338 0.134 20 5 FCBDMM Cc1c(NC(=O)C(=O)N2CCN[C@H](C)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607534664 1288724526 /nfs/dbraw/zinc/72/45/26/1288724526.db2.gz DIXUEDHXOUWYFZ-MRVPVSSYSA-N -1 1 350.331 0.360 20 5 FCBDMM C[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001609070118 1288900289 /nfs/dbraw/zinc/90/02/89/1288900289.db2.gz ITUCOIBWXQTSGP-SECBINFHSA-N -1 1 373.333 0.123 20 5 FCBDMM CC[C@H](CNS(C)(=O)=O)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609190334 1288977761 /nfs/dbraw/zinc/97/77/61/1288977761.db2.gz HNJHKPBOBCCVIV-MRVPVSSYSA-N -1 1 355.380 0.515 20 5 FCBDMM CC[C@H](CNS(C)(=O)=O)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609190334 1288977767 /nfs/dbraw/zinc/97/77/67/1288977767.db2.gz HNJHKPBOBCCVIV-MRVPVSSYSA-N -1 1 355.380 0.515 20 5 FCBDMM O=[N+]([O-])c1c(NCCS(=O)(=O)NC2CC2)cccc1-c1nnn[n-]1 ZINC001609600272 1289256882 /nfs/dbraw/zinc/25/68/82/1289256882.db2.gz ZWEXJSDXAXLABY-UHFFFAOYSA-N -1 1 353.364 0.269 20 5 FCBDMM O=[N+]([O-])c1c(NCCS(=O)(=O)NC2CC2)cccc1-c1nn[n-]n1 ZINC001609600272 1289256888 /nfs/dbraw/zinc/25/68/88/1289256888.db2.gz ZWEXJSDXAXLABY-UHFFFAOYSA-N -1 1 353.364 0.269 20 5 FCBDMM COC(=O)c1cc(C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)cc([N+](=O)[O-])c1 ZINC001610195154 1289421046 /nfs/dbraw/zinc/42/10/46/1289421046.db2.gz CQHMINZERNZMIJ-GFCCVEGCSA-N -1 1 365.342 0.470 20 5 FCBDMM COC(=O)c1cc(C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)cc([N+](=O)[O-])c1 ZINC001610195155 1289421369 /nfs/dbraw/zinc/42/13/69/1289421369.db2.gz CQHMINZERNZMIJ-LBPRGKRZSA-N -1 1 365.342 0.470 20 5 FCBDMM Cc1c(NC(=O)C(=O)N2C[C@H](C)NC[C@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610417515 1289482880 /nfs/dbraw/zinc/48/28/80/1289482880.db2.gz MVWNCEJJYZTSQM-DTWKUNHWSA-N -1 1 364.358 0.749 20 5 FCBDMM O=C([O-])C[NH+]1CCC([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC001255241873 858002968 /nfs/dbraw/zinc/00/29/68/858002968.db2.gz BQTSOVSQEIBVRG-UHFFFAOYSA-N -1 1 361.351 0.561 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2Cc3ccccc3[C@H]2O)c([N+](=O)[O-])n1 ZINC001309937267 866978434 /nfs/dbraw/zinc/97/84/34/866978434.db2.gz DNZCHUROYGZUPK-DGCLKSJQSA-N -1 1 352.372 0.748 20 5 FCBDMM C[C@@H](C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F)n1cnc(-c2nn[n-]n2)n1 ZINC001573647161 947887690 /nfs/dbraw/zinc/88/76/90/947887690.db2.gz DJUFXXBWFADIRF-ZETCQYMHSA-N -1 1 373.308 0.656 20 5 FCBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001594520034 985971503 /nfs/dbraw/zinc/97/15/03/985971503.db2.gz KFHAICJGOAZKNF-SECBINFHSA-N -1 1 354.338 0.937 20 5 FCBDMM C[C@@H]1CN2CCN1C[C@H]2C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001594584816 986468581 /nfs/dbraw/zinc/46/85/81/986468581.db2.gz NGWNOMUWADGMCR-WHCBVINPSA-N -1 1 362.386 0.399 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ZINC000821146996 607306069 /nfs/dbraw/zinc/30/60/69/607306069.db2.gz CNRMTZSWRUJDIW-UHFFFAOYSA-N -1 1 363.363 0.815 20 5 FCBDMM CCCn1c(CO)nnc1Sc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821146996 607306070 /nfs/dbraw/zinc/30/60/70/607306070.db2.gz CNRMTZSWRUJDIW-UHFFFAOYSA-N -1 1 363.363 0.815 20 5 FCBDMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000737986765 598676309 /nfs/dbraw/zinc/67/63/09/598676309.db2.gz OGPWXINWYJWZGX-UHFFFAOYSA-N -1 1 367.325 0.526 20 5 FCBDMM COCCN(C)c1cc(-c2nnn[n-]2)c([N+](=O)[O-])c(N(C)CCOC)c1 ZINC000821689415 599487892 /nfs/dbraw/zinc/48/78/92/599487892.db2.gz ZNWDOLSQNMIDTC-UHFFFAOYSA-N -1 1 365.394 0.940 20 5 FCBDMM COCCN(C)c1cc(-c2nn[n-]n2)c([N+](=O)[O-])c(N(C)CCOC)c1 ZINC000821689415 599487893 /nfs/dbraw/zinc/48/78/93/599487893.db2.gz ZNWDOLSQNMIDTC-UHFFFAOYSA-N -1 1 365.394 0.940 20 5 FCBDMM O=C(NCc1cc(-c2nn[nH]n2)ccc1F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000823238859 599491169 /nfs/dbraw/zinc/49/11/69/599491169.db2.gz SAAFRFIWAHROBX-UHFFFAOYSA-N -1 1 359.277 0.945 20 5 FCBDMM CC(C)(NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-] ZINC000736338797 599926456 /nfs/dbraw/zinc/92/64/56/599926456.db2.gz CNVAWAONMFLNCE-UHFFFAOYSA-N -1 1 350.375 0.696 20 5 FCBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000827353986 601105295 /nfs/dbraw/zinc/10/52/95/601105295.db2.gz AHOFYBQBYWKFJZ-LLVKDONJSA-N -1 1 353.379 0.534 20 5 FCBDMM CC(C)[C@H](NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-] ZINC000827092087 601824607 /nfs/dbraw/zinc/82/46/07/601824607.db2.gz QTBYCSQYLSXABJ-INIZCTEOSA-N -1 1 364.402 0.942 20 5 FCBDMM O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826501125 607539892 /nfs/dbraw/zinc/53/98/92/607539892.db2.gz AMZBOISEEOQNJI-UHFFFAOYSA-N -1 1 350.298 0.928 20 5 FCBDMM O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826501125 607539894 /nfs/dbraw/zinc/53/98/94/607539894.db2.gz AMZBOISEEOQNJI-UHFFFAOYSA-N -1 1 350.298 0.928 20 5 FCBDMM CCOC(=O)[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825486444 607595721 /nfs/dbraw/zinc/59/57/21/607595721.db2.gz SMRFPGFFFOXZSZ-ZETCQYMHSA-N -1 1 370.347 0.005 20 5 FCBDMM COC[C@@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826148781 607598671 /nfs/dbraw/zinc/59/86/71/607598671.db2.gz QURKRHPMMDDINU-QMMMGPOBSA-N -1 1 356.364 0.336 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000826500292 607600064 /nfs/dbraw/zinc/60/00/64/607600064.db2.gz SDQSUTIEKXTLEE-VIFPVBQESA-N -1 1 368.375 0.622 20 5 FCBDMM CC(C)[C@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824207518 607640799 /nfs/dbraw/zinc/64/07/99/607640799.db2.gz YMEFJGCBTPSZOX-SECBINFHSA-N -1 1 356.364 0.070 20 5 FCBDMM CCN(CCCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825419007 607656433 /nfs/dbraw/zinc/65/64/33/607656433.db2.gz CYSAZTREFFDVPO-UHFFFAOYSA-N -1 1 356.364 0.168 20 5 FCBDMM CCOC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825511955 607660739 /nfs/dbraw/zinc/66/07/39/607660739.db2.gz NAHMQRGPICFUIJ-UHFFFAOYSA-N -1 1 370.347 0.006 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3cnccc32)c1-c1nn[n-]n1 ZINC000826500146 607665196 /nfs/dbraw/zinc/66/51/96/607665196.db2.gz MULAVMPGNLHLAS-UHFFFAOYSA-N -1 1 373.354 0.921 20 5 FCBDMM CC[C@@H](CCO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825114225 607667378 /nfs/dbraw/zinc/66/73/78/607667378.db2.gz LPKUTZQVABCKTM-VIFPVBQESA-N -1 1 370.391 0.462 20 5 FCBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000822620207 606164476 /nfs/dbraw/zinc/16/44/76/606164476.db2.gz LWZLWCNGDFJOMR-UHFFFAOYSA-N -1 1 373.333 0.709 20 5 FCBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000822620207 606164478 /nfs/dbraw/zinc/16/44/78/606164478.db2.gz LWZLWCNGDFJOMR-UHFFFAOYSA-N -1 1 373.333 0.709 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823118746 606295700 /nfs/dbraw/zinc/29/57/00/606295700.db2.gz PBTSGSDBSUUDEF-UHFFFAOYSA-N -1 1 357.286 0.281 20 5 FCBDMM CO[C@@H](C)c1noc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC000821674964 606715388 /nfs/dbraw/zinc/71/53/88/606715388.db2.gz AFBDFXNKIIDUND-ZETCQYMHSA-N -1 1 361.322 0.897 20 5 FCBDMM CO[C@@H](C)c1noc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC000821674964 606715390 /nfs/dbraw/zinc/71/53/90/606715390.db2.gz AFBDFXNKIIDUND-ZETCQYMHSA-N -1 1 361.322 0.897 20 5 FCBDMM C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@H](C)O1 ZINC000820767681 606730714 /nfs/dbraw/zinc/73/07/14/606730714.db2.gz JUVNLHGQLWKPHQ-IUCAKERBSA-N -1 1 368.375 0.573 20 5 FCBDMM CN(Cc1ccc[nH]1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821612358 606736616 /nfs/dbraw/zinc/73/66/16/606736616.db2.gz RWNWLVICXYNNRH-UHFFFAOYSA-N -1 1 363.359 0.924 20 5 FCBDMM Cc1cc(CN2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)on1 ZINC000822200176 607165004 /nfs/dbraw/zinc/16/50/04/607165004.db2.gz XHCCWKHCOWEDPU-UHFFFAOYSA-N -1 1 371.361 0.789 20 5 FCBDMM Cc1cc(CN2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)on1 ZINC000822200176 607165006 /nfs/dbraw/zinc/16/50/06/607165006.db2.gz XHCCWKHCOWEDPU-UHFFFAOYSA-N -1 1 371.361 0.789 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[C@H](O)CC2)c1-c1nn[n-]n1 ZINC000826499982 607812437 /nfs/dbraw/zinc/81/24/37/607812437.db2.gz HFOWTPSJDRKJNZ-KYZUINATSA-N -1 1 368.375 0.357 20 5 FCBDMM Cn1cnc([N+](=O)[O-])c1N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000826364576 607895755 /nfs/dbraw/zinc/89/57/55/607895755.db2.gz BDNQZMLVIVNIFS-UHFFFAOYSA-N -1 1 356.350 0.230 20 5 FCBDMM Cn1cnc([N+](=O)[O-])c1N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826364576 607895756 /nfs/dbraw/zinc/89/57/56/607895756.db2.gz BDNQZMLVIVNIFS-UHFFFAOYSA-N -1 1 356.350 0.230 20 5 FCBDMM CN([C@@H]1CCSC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825888853 607907546 /nfs/dbraw/zinc/90/75/46/607907546.db2.gz WSKXHWNBEDXTNR-MRVPVSSYSA-N -1 1 370.416 0.901 20 5 FCBDMM Cc1ocnc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826343407 608443808 /nfs/dbraw/zinc/44/38/08/608443808.db2.gz ZLMJOXYPALPOEQ-UHFFFAOYSA-N -1 1 365.331 0.550 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)C(=O)OC2CCCC2)c([N+](=O)[O-])n1 ZINC000754813105 667612283 /nfs/dbraw/zinc/61/22/83/667612283.db2.gz ASHJEGHCSVHSBO-VIFPVBQESA-N -1 1 360.392 0.964 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CSCCS2)c([N+](=O)[O-])n1 ZINC000754817796 667612834 /nfs/dbraw/zinc/61/28/34/667612834.db2.gz WXTSYRVBMRSPID-QMMMGPOBSA-N -1 1 352.463 0.938 20 5 FCBDMM CCOC(=O)N1CCC([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000741754232 668023260 /nfs/dbraw/zinc/02/32/60/668023260.db2.gz FCHRJIFXYMJGHK-UHFFFAOYSA-N -1 1 358.376 0.889 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCOCC2)c1-c1nn[n-]n1 ZINC000826500236 669496554 /nfs/dbraw/zinc/49/65/54/669496554.db2.gz PNNIKCYOIDOXOI-SECBINFHSA-N -1 1 368.375 0.622 20 5 FCBDMM O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000807992689 669530932 /nfs/dbraw/zinc/53/09/32/669530932.db2.gz KJSFDDLASVVDPG-UHFFFAOYSA-N -1 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CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000842323252 670668415 /nfs/dbraw/zinc/66/84/15/670668415.db2.gz HYXFPOKVOMGYFH-IVZWLZJFSA-N -1 1 363.392 0.107 20 5 FCBDMM CCn1ncc(C[N-]S(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)n1 ZINC000859249557 671804296 /nfs/dbraw/zinc/80/42/96/671804296.db2.gz FYCXAKHBSWSWQR-UHFFFAOYSA-N -1 1 369.359 0.471 20 5 FCBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](CC2CCCC2)C(=O)[O-])n1 ZINC000863406845 672121879 /nfs/dbraw/zinc/12/18/79/672121879.db2.gz LPCIRYBNDYZKNQ-JTQLQIEISA-N -1 1 360.392 0.888 20 5 FCBDMM CS(=O)(=O)NC1CC([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000800955417 675721201 /nfs/dbraw/zinc/72/12/01/675721201.db2.gz UUPDJOUXTWTARY-UHFFFAOYSA-N -1 1 367.380 0.092 20 5 FCBDMM Cc1cc(=O)n(CC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000761860427 1197860014 /nfs/dbraw/zinc/86/00/14/1197860014.db2.gz HUHZHNXSZFBSQM-UHFFFAOYSA-N -1 1 360.282 0.930 20 5 FCBDMM O=C(CCn1cc[n-]c(=O)c1=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787501609 1200885976 /nfs/dbraw/zinc/88/59/76/1200885976.db2.gz IRDMTZVVUVTEHV-UHFFFAOYSA-N -1 1 360.326 0.125 20 5 FCBDMM O=C(COC(=O)c1cn[n-]n1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000805603214 1201571668 /nfs/dbraw/zinc/57/16/68/1201571668.db2.gz IWJXAXOCQRCCMF-UHFFFAOYSA-N -1 1 363.286 0.670 20 5 FCBDMM Cn1[n-]cc2c(=NC(=O)C(=O)NCCc3ccc([N+](=O)[O-])cc3)ccnc1-2 ZINC000806860579 1202785359 /nfs/dbraw/zinc/78/53/59/1202785359.db2.gz RTIWQWZISUGQGN-UHFFFAOYSA-N -1 1 368.353 0.547 20 5 FCBDMM Cn1[n-]cc2c(=NC(=O)C(=O)NCCc3ccccc3[N+](=O)[O-])ccnc1-2 ZINC000806919997 1202788836 /nfs/dbraw/zinc/78/88/36/1202788836.db2.gz GYINJDPAHXLEQD-UHFFFAOYSA-N -1 1 368.353 0.547 20 5 FCBDMM CCn1ncn([N-]C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)c1=O ZINC000854628503 1209636601 /nfs/dbraw/zinc/63/66/01/1209636601.db2.gz MVXGEWLAJIQKOO-UHFFFAOYSA-N -1 1 374.313 0.010 20 5 FCBDMM CN(Cc1n[nH]c(=O)[n-]1)Cc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001050244399 1216301227 /nfs/dbraw/zinc/30/12/27/1216301227.db2.gz PJFTUFMYZBHPHC-CHWSQXEVSA-N -1 1 360.374 0.424 20 5 FCBDMM CC(C)N(CC(F)(F)F)C(=O)Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001574264728 1271140606 /nfs/dbraw/zinc/14/06/06/1271140606.db2.gz KZKAXGYLIZBUMO-UHFFFAOYSA-N -1 1 362.272 0.771 20 5 FCBDMM CC[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001578443809 1275829640 /nfs/dbraw/zinc/82/96/40/1275829640.db2.gz FHUSXDUBMSPUBQ-MNOVXSKESA-N -1 1 368.375 0.621 20 5 FCBDMM CC[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001578443809 1275829651 /nfs/dbraw/zinc/82/96/51/1275829651.db2.gz FHUSXDUBMSPUBQ-MNOVXSKESA-N -1 1 368.375 0.621 20 5 FCBDMM COC(=O)[C@H](C)NC(=O)[C@H](C)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001579474603 1277378890 /nfs/dbraw/zinc/37/88/90/1277378890.db2.gz OPIBJFXAJBAIMU-WDSKDSINSA-N -1 1 369.363 0.315 20 5 FCBDMM COC(=O)[C@H](C)NC(=O)[C@H](C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001579474603 1277378899 /nfs/dbraw/zinc/37/88/99/1277378899.db2.gz OPIBJFXAJBAIMU-WDSKDSINSA-N -1 1 369.363 0.315 20 5 FCBDMM CC(C)(CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC001603150879 1287315016 /nfs/dbraw/zinc/31/50/16/1287315016.db2.gz WIXAXSMYLRMQNN-UHFFFAOYSA-N -1 1 355.380 0.592 20 5 FCBDMM CC(C)(CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001603150879 1287315020 /nfs/dbraw/zinc/31/50/20/1287315020.db2.gz WIXAXSMYLRMQNN-UHFFFAOYSA-N -1 1 355.380 0.592 20 5 FCBDMM CC(C)C1(O)CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C1 ZINC001603241582 1287339130 /nfs/dbraw/zinc/33/91/30/1287339130.db2.gz WQWVKGLBGLAWCY-UHFFFAOYSA-N -1 1 368.375 0.166 20 5 FCBDMM CC(C)C1(O)CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)C1 ZINC001603241582 1287339133 /nfs/dbraw/zinc/33/91/33/1287339133.db2.gz WQWVKGLBGLAWCY-UHFFFAOYSA-N -1 1 368.375 0.166 20 5 FCBDMM CC(C)CN1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1=O ZINC001603294973 1287348243 /nfs/dbraw/zinc/34/82/43/1287348243.db2.gz JXDPQPJCCDWVBS-UHFFFAOYSA-N -1 1 360.378 0.662 20 5 FCBDMM CC(C)CN1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1=O ZINC001603294973 1287348246 /nfs/dbraw/zinc/34/82/46/1287348246.db2.gz JXDPQPJCCDWVBS-UHFFFAOYSA-N -1 1 360.378 0.662 20 5 FCBDMM CC(C)[C@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001603386227 1287364760 /nfs/dbraw/zinc/36/47/60/1287364760.db2.gz FDYFSHQAVNLXKP-QMMMGPOBSA-N -1 1 356.364 0.070 20 5 FCBDMM O=C1NCCN1C1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001582787576 1282002906 /nfs/dbraw/zinc/00/29/06/1282002906.db2.gz JDWWNMHUIYPNMO-UHFFFAOYSA-N -1 1 364.391 0.830 20 5 FCBDMM O=C1NCCN1C1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001582787576 1282002915 /nfs/dbraw/zinc/00/29/15/1282002915.db2.gz JDWWNMHUIYPNMO-UHFFFAOYSA-N -1 1 364.391 0.830 20 5 FCBDMM CC(=O)N1CCN(CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001588823515 1282711421 /nfs/dbraw/zinc/71/14/21/1282711421.db2.gz RRDFISDOQKVHNG-UHFFFAOYSA-N -1 1 360.378 0.351 20 5 FCBDMM C[C@H](C(=O)OCCOc1cccc([N+](=O)[O-])c1)n1cnc(-c2nn[n-]n2)n1 ZINC001589029500 1282777097 /nfs/dbraw/zinc/77/70/97/1282777097.db2.gz CFNHXWOLTXGJFO-SECBINFHSA-N -1 1 374.317 0.550 20 5 FCBDMM C[C@](NC(=O)C1CN([C@@H]2CCOC2)C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604270063 1287597211 /nfs/dbraw/zinc/59/72/11/1287597211.db2.gz YDHPBURLCABNIE-RHSMWYFYSA-N -1 1 363.370 0.732 20 5 FCBDMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)CCn2cc([N+](=O)[O-])cn2)n1 ZINC001589250224 1282821161 /nfs/dbraw/zinc/82/11/61/1282821161.db2.gz IBTFUSYHTGRNTR-UHFFFAOYSA-N -1 1 374.365 0.952 20 5 FCBDMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)CCn2cc([N+](=O)[O-])cn2)n1 ZINC001589250224 1282821171 /nfs/dbraw/zinc/82/11/71/1282821171.db2.gz IBTFUSYHTGRNTR-UHFFFAOYSA-N -1 1 374.365 0.952 20 5 FCBDMM CC(C)[C@](C)(O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001589427754 1282879787 /nfs/dbraw/zinc/87/97/87/1282879787.db2.gz BMKDUGHFNBCGHS-CYBMUJFWSA-N -1 1 370.391 0.460 20 5 FCBDMM CC(C)[C@](C)(O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001589427754 1282879799 /nfs/dbraw/zinc/87/97/99/1282879799.db2.gz BMKDUGHFNBCGHS-CYBMUJFWSA-N -1 1 370.391 0.460 20 5 FCBDMM CC(C)N(C1COC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001589678700 1282940690 /nfs/dbraw/zinc/94/06/90/1282940690.db2.gz PRVUXHMTYBJEGN-UHFFFAOYSA-N -1 1 368.375 0.573 20 5 FCBDMM CC(C)N(C1COC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001589678700 1282940695 /nfs/dbraw/zinc/94/06/95/1282940695.db2.gz PRVUXHMTYBJEGN-UHFFFAOYSA-N -1 1 368.375 0.573 20 5 FCBDMM CCOC(=O)[C@@]1(C)CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001604366493 1287616145 /nfs/dbraw/zinc/61/61/45/1287616145.db2.gz BDMLZIHLMYAIPB-OAHLLOKOSA-N -1 1 362.346 0.933 20 5 FCBDMM CCOC(=O)[C@@]1(C)CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001604366493 1287616149 /nfs/dbraw/zinc/61/61/49/1287616149.db2.gz BDMLZIHLMYAIPB-OAHLLOKOSA-N -1 1 362.346 0.933 20 5 FCBDMM C[C@]1([C@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)COC(=O)N1 ZINC001590120435 1283228954 /nfs/dbraw/zinc/22/89/54/1283228954.db2.gz OFBQCVQUQDXZOA-BJOHPYRUSA-N -1 1 374.361 0.885 20 5 FCBDMM C[C@]1([C@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)COC(=O)N1 ZINC001590120435 1283228958 /nfs/dbraw/zinc/22/89/58/1283228958.db2.gz OFBQCVQUQDXZOA-BJOHPYRUSA-N -1 1 374.361 0.885 20 5 FCBDMM C[C@@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CCO1 ZINC001590206820 1283324387 /nfs/dbraw/zinc/32/43/87/1283324387.db2.gz LUCMFJBSOFUEDS-BDAKNGLRSA-N -1 1 368.375 0.621 20 5 FCBDMM C[C@@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CCO1 ZINC001590206820 1283324400 /nfs/dbraw/zinc/32/44/00/1283324400.db2.gz LUCMFJBSOFUEDS-BDAKNGLRSA-N -1 1 368.375 0.621 20 5 FCBDMM C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC[C@@H]1O ZINC001590312990 1283456796 /nfs/dbraw/zinc/45/67/96/1283456796.db2.gz NNJDLOAPGMOBEZ-WPRPVWTQSA-N -1 1 368.375 0.166 20 5 FCBDMM C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCN1c1cnccn1 ZINC001590317889 1283459316 /nfs/dbraw/zinc/45/93/16/1283459316.db2.gz KXCJVDUTYLJDBP-SNVBAGLBSA-N -1 1 368.361 0.675 20 5 FCBDMM C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCN1c1cnccn1 ZINC001590317889 1283459323 /nfs/dbraw/zinc/45/93/23/1283459323.db2.gz KXCJVDUTYLJDBP-SNVBAGLBSA-N -1 1 368.361 0.675 20 5 FCBDMM C[C@@H]1SCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590334885 1283481070 /nfs/dbraw/zinc/48/10/70/1283481070.db2.gz CPJKVGABQIWNLP-OIBJUYFYSA-N -1 1 370.416 0.947 20 5 FCBDMM C[C@@H]1SCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590334885 1283481077 /nfs/dbraw/zinc/48/10/77/1283481077.db2.gz CPJKVGABQIWNLP-OIBJUYFYSA-N -1 1 370.416 0.947 20 5 FCBDMM C[C@H]1SCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001590339832 1283488915 /nfs/dbraw/zinc/48/89/15/1283488915.db2.gz YUGHQIFEUVLNLB-SFYZADRCSA-N -1 1 370.416 0.947 20 5 FCBDMM CCN1C(=O)[C@@H]2CN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CCN2C1=O ZINC001590727692 1283753274 /nfs/dbraw/zinc/75/32/74/1283753274.db2.gz PFZLKEADXWWGQM-LBPRGKRZSA-N -1 1 372.345 0.248 20 5 FCBDMM CCO[C@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC001590823568 1283902624 /nfs/dbraw/zinc/90/26/24/1283902624.db2.gz XLLAYBALTJUOHX-DTORHVGOSA-N -1 1 368.375 0.621 20 5 FCBDMM CCn1cc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cn1 ZINC001590955151 1284007354 /nfs/dbraw/zinc/00/73/54/1284007354.db2.gz QBCSDCZNBRSPRK-UHFFFAOYSA-N -1 1 365.331 0.759 20 5 FCBDMM COC(=O)[C@@H](O)C1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001591237581 1284381605 /nfs/dbraw/zinc/38/16/05/1284381605.db2.gz MMWSMFRWKUNHFB-JTQLQIEISA-N -1 1 368.375 0.587 20 5 FCBDMM COC(=O)[C@@H](O)C1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001591237581 1284381613 /nfs/dbraw/zinc/38/16/13/1284381613.db2.gz MMWSMFRWKUNHFB-JTQLQIEISA-N -1 1 368.375 0.587 20 5 FCBDMM COC(=O)c1cnc(NCc2ccnc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC001591305469 1284454735 /nfs/dbraw/zinc/45/47/35/1284454735.db2.gz MDTFXEFBSODJTE-UHFFFAOYSA-N -1 1 356.302 0.964 20 5 FCBDMM COC(=O)c1cnc(NCc2ccnc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC001591305469 1284454736 /nfs/dbraw/zinc/45/47/36/1284454736.db2.gz MDTFXEFBSODJTE-UHFFFAOYSA-N -1 1 356.302 0.964 20 5 FCBDMM CO[C@@]1(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001591342646 1284479415 /nfs/dbraw/zinc/47/94/15/1284479415.db2.gz IFRZVSLWSGJLOI-LLVKDONJSA-N -1 1 374.404 0.452 20 5 FCBDMM CO[C@@]1(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001591342646 1284479421 /nfs/dbraw/zinc/47/94/21/1284479421.db2.gz IFRZVSLWSGJLOI-LLVKDONJSA-N -1 1 374.404 0.452 20 5 FCBDMM COCC(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591370597 1284508386 /nfs/dbraw/zinc/50/83/86/1284508386.db2.gz PNAGZYPBGLXBPX-UHFFFAOYSA-N -1 1 356.364 0.478 20 5 FCBDMM COCC(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591370597 1284508388 /nfs/dbraw/zinc/50/83/88/1284508388.db2.gz PNAGZYPBGLXBPX-UHFFFAOYSA-N -1 1 356.364 0.478 20 5 FCBDMM CO[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC001591474179 1284648537 /nfs/dbraw/zinc/64/85/37/1284648537.db2.gz FVHZSRASAURAQD-DTORHVGOSA-N -1 1 368.375 0.573 20 5 FCBDMM COc1cccc(CNC(=O)[C@H](C)n2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)c1 ZINC001591638803 1284776554 /nfs/dbraw/zinc/77/65/54/1284776554.db2.gz JUZQBYDFWMUJBR-VIFPVBQESA-N -1 1 372.345 0.857 20 5 FCBDMM CS(=O)(=O)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001591672665 1284805916 /nfs/dbraw/zinc/80/59/16/1284805916.db2.gz CFSAAFLEUQVVKW-SNVBAGLBSA-N -1 1 352.376 0.788 20 5 FCBDMM Cc1c(COC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)cccc1[N+](=O)[O-] ZINC001591819366 1284927754 /nfs/dbraw/zinc/92/77/54/1284927754.db2.gz ZUGDBLLEQBRBRM-VIFPVBQESA-N -1 1 358.318 0.979 20 5 FCBDMM Cc1cccn2c(=O)cc(Cn3cc([N+](=O)[O-])c(-c4nn[n-]n4)n3)nc12 ZINC001592260555 1285203060 /nfs/dbraw/zinc/20/30/60/1285203060.db2.gz DHMYQLUCRQUPNO-UHFFFAOYSA-N -1 1 353.302 0.336 20 5 FCBDMM CN(Cc1cc[nH]n1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001604800430 1287785409 /nfs/dbraw/zinc/78/54/09/1287785409.db2.gz CDTCWVZESPKDOQ-UHFFFAOYSA-N -1 1 364.347 0.319 20 5 FCBDMM CN(Cc1cc[nH]n1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001604800430 1287785415 /nfs/dbraw/zinc/78/54/15/1287785415.db2.gz CDTCWVZESPKDOQ-UHFFFAOYSA-N -1 1 364.347 0.319 20 5 FCBDMM Cn1c(=O)c2ccccc2nc1Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001592554344 1285464757 /nfs/dbraw/zinc/46/47/57/1285464757.db2.gz ZZCAYNCSYQAKBJ-UHFFFAOYSA-N -1 1 353.302 0.267 20 5 FCBDMM Cn1cc(C[C@@H](CO)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC001592571259 1285487902 /nfs/dbraw/zinc/48/79/02/1285487902.db2.gz VGQWBNNDYNAIAU-SNVBAGLBSA-N -1 1 359.350 0.167 20 5 FCBDMM Cn1cc(C[C@@H](CO)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1 ZINC001592571259 1285487918 /nfs/dbraw/zinc/48/79/18/1285487918.db2.gz VGQWBNNDYNAIAU-SNVBAGLBSA-N -1 1 359.350 0.167 20 5 FCBDMM Cn1cc(Cn2nnc(-c3ccccc3)c2-c2nn[n-]n2)c([N+](=O)[O-])n1 ZINC001592575722 1285491126 /nfs/dbraw/zinc/49/11/26/1285491126.db2.gz JEWRKMXVUNNMMK-UHFFFAOYSA-N -1 1 352.318 0.815 20 5 FCBDMM NS(=O)(=O)C[C@H]1CCCN1c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592746785 1285667815 /nfs/dbraw/zinc/66/78/15/1285667815.db2.gz GDRZMDQIFBBVTJ-MRVPVSSYSA-N -1 1 353.364 0.032 20 5 FCBDMM NS(=O)(=O)C[C@H]1CCCN1c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592746785 1285667819 /nfs/dbraw/zinc/66/78/19/1285667819.db2.gz GDRZMDQIFBBVTJ-MRVPVSSYSA-N -1 1 353.364 0.032 20 5 FCBDMM Nc1cc(N2CC[C@@](O)(C(F)(F)F)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760247 1285681682 /nfs/dbraw/zinc/68/16/82/1285681682.db2.gz ULLZQZMRYJWTRS-NSHDSACASA-N -1 1 359.268 0.861 20 5 FCBDMM Nc1cc(N2CC[C@@](O)(C(F)(F)F)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760247 1285681690 /nfs/dbraw/zinc/68/16/90/1285681690.db2.gz ULLZQZMRYJWTRS-NSHDSACASA-N -1 1 359.268 0.861 20 5 FCBDMM Nc1cc(N2CC[C@H](Cn3ccnn3)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759489 1285682474 /nfs/dbraw/zinc/68/24/74/1285682474.db2.gz CKUUYCNHVAXDSG-VIFPVBQESA-N -1 1 356.350 0.475 20 5 FCBDMM Nc1cc(N2CC[C@H](Cn3ccnn3)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759489 1285682483 /nfs/dbraw/zinc/68/24/83/1285682483.db2.gz CKUUYCNHVAXDSG-VIFPVBQESA-N -1 1 356.350 0.475 20 5 FCBDMM Nc1cc(N2CC[C@@H]3NC(=O)CC[C@H]3C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759470 1285682554 /nfs/dbraw/zinc/68/25/54/1285682554.db2.gz BWGFWHARRGEUFW-UFBFGSQYSA-N -1 1 358.362 0.462 20 5 FCBDMM Nc1cc(N2CC[C@@H]3NC(=O)CC[C@H]3C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759470 1285682561 /nfs/dbraw/zinc/68/25/61/1285682561.db2.gz BWGFWHARRGEUFW-UFBFGSQYSA-N -1 1 358.362 0.462 20 5 FCBDMM Nc1cc(N2CCC(Cn3ccnn3)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760311 1285682777 /nfs/dbraw/zinc/68/27/77/1285682777.db2.gz WQFIFPZDCISGSC-UHFFFAOYSA-N -1 1 370.377 0.865 20 5 FCBDMM Nc1cc(N2CCC(Cn3ccnn3)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760311 1285682783 /nfs/dbraw/zinc/68/27/83/1285682783.db2.gz WQFIFPZDCISGSC-UHFFFAOYSA-N -1 1 370.377 0.865 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)N[C@H]1CCOc2ccccc21 ZINC001592937431 1285825873 /nfs/dbraw/zinc/82/58/73/1285825873.db2.gz AMTYUFLTJMITRO-JTQLQIEISA-N -1 1 370.329 0.611 20 5 FCBDMM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593153256 1286023717 /nfs/dbraw/zinc/02/37/17/1286023717.db2.gz VZBKMHGADLEDPS-UHFFFAOYSA-N -1 1 365.313 0.976 20 5 FCBDMM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593153256 1286023722 /nfs/dbraw/zinc/02/37/22/1286023722.db2.gz VZBKMHGADLEDPS-UHFFFAOYSA-N -1 1 365.313 0.976 20 5 FCBDMM O=[N+]([O-])c1cccnc1N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001593487452 1286175594 /nfs/dbraw/zinc/17/55/94/1286175594.db2.gz YCGKZBDASDWRHI-UHFFFAOYSA-N -1 1 354.334 0.287 20 5 FCBDMM O=[N+]([O-])c1cccnc1N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001593487452 1286175597 /nfs/dbraw/zinc/17/55/97/1286175597.db2.gz YCGKZBDASDWRHI-UHFFFAOYSA-N -1 1 354.334 0.287 20 5 FCBDMM Cn1ccc([C@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C(=O)[O-])n1 ZINC001600975324 1286586920 /nfs/dbraw/zinc/58/69/20/1286586920.db2.gz LYOMCDIZKJIUJL-JTQLQIEISA-N -1 1 358.307 0.572 20 5 FCBDMM O=C([O-])[C@]1(N2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)CCOC1 ZINC001602622755 1287037700 /nfs/dbraw/zinc/03/77/00/1287037700.db2.gz LEFGYDKDAWCPSS-INIZCTEOSA-N -1 1 365.342 0.302 20 5 FCBDMM CS(=O)(=O)N1CCC[C@@H]1CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609367636 1289122851 /nfs/dbraw/zinc/12/28/51/1289122851.db2.gz NEKIUPARBNMATA-SECBINFHSA-N -1 1 367.391 0.611 20 5 FCBDMM CS(=O)(=O)N1CCC[C@@H]1CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609367636 1289122855 /nfs/dbraw/zinc/12/28/55/1289122855.db2.gz NEKIUPARBNMATA-SECBINFHSA-N -1 1 367.391 0.611 20 5 FCBDMM CS(=O)(=O)N1CC[C@H](CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001609367205 1289123453 /nfs/dbraw/zinc/12/34/53/1289123453.db2.gz NSLGDUQJMCZASS-SECBINFHSA-N -1 1 367.391 0.468 20 5 FCBDMM CS(=O)(=O)N1CC[C@H](CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001609367205 1289123454 /nfs/dbraw/zinc/12/34/54/1289123454.db2.gz NSLGDUQJMCZASS-SECBINFHSA-N -1 1 367.391 0.468 20 5 FCBDMM CC(C)(C(N)=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001603051574 1287198198 /nfs/dbraw/zinc/19/81/98/1287198198.db2.gz PQGRWHHQQMPEMQ-UHFFFAOYSA-N -1 1 360.378 0.161 20 5 FCBDMM Cc1c(NC(=O)NCCn2cnc(-c3nn[n-]n3)n2)cccc1[N+](=O)[O-] ZINC001605496698 1287982557 /nfs/dbraw/zinc/98/25/57/1287982557.db2.gz LBHGAWYDNMZLOT-UHFFFAOYSA-N -1 1 358.322 0.497 20 5 FCBDMM Cc1conc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001605997842 1288125139 /nfs/dbraw/zinc/12/51/39/1288125139.db2.gz AGVKJVXWZUBPBZ-UHFFFAOYSA-N -1 1 365.331 0.550 20 5 FCBDMM NC(=O)[C@H](Cc1ccc(Cl)cc1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001606402466 1288289273 /nfs/dbraw/zinc/28/92/73/1288289273.db2.gz UYGRVSCBLGCZIY-VIFPVBQESA-N -1 1 362.737 0.894 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC[C@@H]1CCCS1(=O)=O ZINC001607076776 1288649981 /nfs/dbraw/zinc/64/99/81/1288649981.db2.gz DSBYGBQAMSNZMX-QMMMGPOBSA-N -1 1 353.364 0.549 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC[C@@H]1CCCS1(=O)=O ZINC001607076776 1288649982 /nfs/dbraw/zinc/64/99/82/1288649982.db2.gz DSBYGBQAMSNZMX-QMMMGPOBSA-N -1 1 353.364 0.549 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCN(c2cccnn2)CC1 ZINC001607077325 1288650906 /nfs/dbraw/zinc/65/09/06/1288650906.db2.gz QEPSGUJUEDIONS-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCN(c2cccnn2)CC1 ZINC001607077325 1288650908 /nfs/dbraw/zinc/65/09/08/1288650908.db2.gz QEPSGUJUEDIONS-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2Cc3c[nH]nc3C2)c1-c1nn[n-]n1 ZINC001607084949 1288652561 /nfs/dbraw/zinc/65/25/61/1288652561.db2.gz FOMWWKRFBKIYDF-UHFFFAOYSA-N -1 1 362.331 0.203 20 5 FCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001607086593 1288653440 /nfs/dbraw/zinc/65/34/40/1288653440.db2.gz ZRLSQXUMVVEYPX-YUMQZZPRSA-N -1 1 370.416 0.707 20 5 FCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001607086593 1288653446 /nfs/dbraw/zinc/65/34/46/1288653446.db2.gz ZRLSQXUMVVEYPX-YUMQZZPRSA-N -1 1 370.416 0.707 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@@H](F)[C@@H](F)C2)c1-c1nn[n-]n1 ZINC001607085713 1288654103 /nfs/dbraw/zinc/65/41/03/1288654103.db2.gz ZWSTYCHJOCGYRH-KNVOCYPGSA-N -1 1 360.302 0.455 20 5 FCBDMM CC[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC001609202220 1288985654 /nfs/dbraw/zinc/98/56/54/1288985654.db2.gz CESWGWLWNBXMPC-BMIGLBTASA-N -1 1 361.362 0.944 20 5 FCBDMM CC[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC001609202220 1288985656 /nfs/dbraw/zinc/98/56/56/1288985656.db2.gz CESWGWLWNBXMPC-BMIGLBTASA-N -1 1 361.362 0.944 20 5 FCBDMM NS(=O)(=O)C1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC001609505503 1289187690 /nfs/dbraw/zinc/18/76/90/1289187690.db2.gz DMNVMSWRTZJXBU-UHFFFAOYSA-N -1 1 353.364 0.032 20 5 FCBDMM O=C(COc1cnc(-c2nn[n-]n2)nc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001609533765 1289202872 /nfs/dbraw/zinc/20/28/72/1289202872.db2.gz URATVTSXFWOFPS-UHFFFAOYSA-N -1 1 368.313 0.533 20 5 FCBDMM O=[N+]([O-])c1cc(N2CCN(c3cccnn3)CC2)ccc1-c1nn[n-]n1 ZINC001609600839 1289258924 /nfs/dbraw/zinc/25/89/24/1289258924.db2.gz GQDIWEIZJVFZED-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=C([O-])C[C@@]1(NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCOC1 ZINC001610757998 1289580928 /nfs/dbraw/zinc/58/09/28/1289580928.db2.gz GAOOOXHQNGLTRE-HNNXBMFYSA-N -1 1 367.314 0.485 20 5 FCBDMM O=C([O-])c1cn(C2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)nn1 ZINC001610859449 1289611429 /nfs/dbraw/zinc/61/14/29/1289611429.db2.gz SEJUFANAZFFTQE-UHFFFAOYSA-N -1 1 362.346 0.383 20 5 FCBDMM COc1ccc(C[C@H](C)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c([N+](=O)[O-])c1 ZINC001170307851 850650036 /nfs/dbraw/zinc/65/00/36/850650036.db2.gz JBHZOXFGJFRGBB-RVBZMBCESA-N -1 1 373.387 0.526 20 5 FCBDMM C[C@H]1[C@H](N[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C(=O)N1S(=O)(=O)[O-] ZINC001172902504 850715933 /nfs/dbraw/zinc/71/59/33/850715933.db2.gz YYCVGOATWCBCQJ-BHYNMZESSA-N -1 1 369.399 0.834 20 5 FCBDMM CCOC(=O)COCC[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001309504877 866820018 /nfs/dbraw/zinc/82/00/18/866820018.db2.gz ACMIOEUBRNFDAG-UHFFFAOYSA-N -1 1 364.351 0.900 20 5 FCBDMM COC(=O)CCN1CC[C@@H](OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1=O ZINC001333211211 873855714 /nfs/dbraw/zinc/85/57/14/873855714.db2.gz JKTBXEHKOULGEG-GFCCVEGCSA-N -1 1 352.299 0.621 20 5 FCBDMM O=C([O-])[C@]1(N2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)CCOC1 ZINC001348437471 962440223 /nfs/dbraw/zinc/44/02/23/962440223.db2.gz XJAWGIDEGJHSPQ-RDJZCZTQSA-N -1 1 365.386 0.490 20 5 FCBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001592406123 977980322 /nfs/dbraw/zinc/98/03/22/977980322.db2.gz MLPVAZQSHGNVOG-XHDPSFHLSA-N -1 1 351.359 0.636 20 5 FCBDMM CCn1nccc1N1CCC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1=O ZINC000276689962 212276981 /nfs/dbraw/zinc/27/69/81/212276981.db2.gz KHQOLCMRNZPOQF-NSHDSACASA-N -1 1 374.357 0.837 20 5 FCBDMM NC(=O)C1=NO[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000275916615 212119274 /nfs/dbraw/zinc/11/92/74/212119274.db2.gz SKZXPPHIYDAGCI-ZETCQYMHSA-N -1 1 362.751 0.157 20 5 FCBDMM O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000373265094 217001435 /nfs/dbraw/zinc/00/14/35/217001435.db2.gz ICOGPAQVLNKWGZ-AWEZNQCLSA-N -1 1 364.402 0.437 20 5 FCBDMM COC(=O)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](C)O ZINC000275419796 212024267 /nfs/dbraw/zinc/02/42/67/212024267.db2.gz AAICHQQLUANABQ-IMTBSYHQSA-N -1 1 352.752 0.449 20 5 FCBDMM C[C@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CN1CCOCC1 ZINC000443235869 248313736 /nfs/dbraw/zinc/31/37/36/248313736.db2.gz CYIJVWYFVZEFEI-LBPRGKRZSA-N -1 1 365.433 0.018 20 5 FCBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000325110932 488908613 /nfs/dbraw/zinc/90/86/13/488908613.db2.gz FFQMWQNBTGAQAX-SNVBAGLBSA-N -1 1 354.344 0.601 20 5 FCBDMM O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000326566310 488915472 /nfs/dbraw/zinc/91/54/72/488915472.db2.gz ULGKTIITVQYFOO-SECBINFHSA-N -1 1 358.307 0.431 20 5 FCBDMM O=C(NCc1cccnc1N1CCOCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000031328185 487758449 /nfs/dbraw/zinc/75/84/49/487758449.db2.gz JKOHGQVQZGSFDW-UHFFFAOYSA-N -1 1 359.342 0.857 20 5 FCBDMM CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1nn[n-]n1 ZINC000268222719 488398129 /nfs/dbraw/zinc/39/81/29/488398129.db2.gz QTKICQFQOGRQFE-LLVKDONJSA-N -1 1 368.375 0.783 20 5 FCBDMM CN(C)C(=O)NCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000272796628 488606302 /nfs/dbraw/zinc/60/63/02/488606302.db2.gz KDQTZDALSUJLAU-UHFFFAOYSA-N -1 1 350.784 0.798 20 5 FCBDMM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000273456435 488652257 /nfs/dbraw/zinc/65/22/57/488652257.db2.gz DSGKJIYHFSTIMU-VHSXEESVSA-N -1 1 361.362 0.488 20 5 FCBDMM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CC(F)(F)CO)OCCO2 ZINC000274284748 488695920 /nfs/dbraw/zinc/69/59/20/488695920.db2.gz XGLYLBOVFAZTQZ-UHFFFAOYSA-N -1 1 354.287 0.272 20 5 FCBDMM Cc1c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000274738702 488731008 /nfs/dbraw/zinc/73/10/08/488731008.db2.gz FDKNBYDYVGXCJT-SECBINFHSA-N -1 1 371.361 0.873 20 5 FCBDMM C[C@H](CN(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000274791257 488734153 /nfs/dbraw/zinc/73/41/53/488734153.db2.gz QECGXCYRCYWXKT-SNVBAGLBSA-N -1 1 361.362 0.490 20 5 FCBDMM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000274978993 488750049 /nfs/dbraw/zinc/75/00/49/488750049.db2.gz LKCJLGSOHKWWAE-QWRGUYRKSA-N -1 1 366.374 0.699 20 5 FCBDMM O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281744833 489102834 /nfs/dbraw/zinc/10/28/34/489102834.db2.gz PAWIJYCAEDVRQQ-UHFFFAOYSA-N -1 1 363.296 0.708 20 5 FCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCOC2(CCOCC2)C1 ZINC000570346027 491235131 /nfs/dbraw/zinc/23/51/31/491235131.db2.gz WYRBATQLPQBCRD-NSHDSACASA-N -1 1 357.388 0.996 20 5 FCBDMM O=C(NCCCn1nc2n(c1=O)CCCC2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000298756560 489361127 /nfs/dbraw/zinc/36/11/27/489361127.db2.gz HRVSTYPUWFIAIP-UHFFFAOYSA-N -1 1 362.346 0.210 20 5 FCBDMM CC(C)NS(=O)(=O)CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000299416683 489439331 /nfs/dbraw/zinc/43/93/31/489439331.db2.gz USROIHBCIGMGRM-UHFFFAOYSA-N -1 1 369.396 0.340 20 5 FCBDMM O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000372246908 489563463 /nfs/dbraw/zinc/56/34/63/489563463.db2.gz IBWGUPVURCYLBF-ZDUSSCGKSA-N -1 1 364.402 0.437 20 5 FCBDMM O=C(CNC(=O)c1ncccc1[O-])N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000427798217 489621282 /nfs/dbraw/zinc/62/12/82/489621282.db2.gz CCAVXRGVAQJVEI-UHFFFAOYSA-N -1 1 374.357 0.485 20 5 FCBDMM O=C(NC1(c2nn[n-]n2)CC1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000430319974 489731462 /nfs/dbraw/zinc/73/14/62/489731462.db2.gz WVIZZRHHKBOJMP-UHFFFAOYSA-N -1 1 350.360 0.611 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@H](C(N)=O)c2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000464200820 490044636 /nfs/dbraw/zinc/04/46/36/490044636.db2.gz PZVWEKBFWGDIEN-NSHDSACASA-N -1 1 371.350 0.455 20 5 FCBDMM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000506593481 490111511 /nfs/dbraw/zinc/11/15/11/490111511.db2.gz CTSXZTDVBLXHNM-WCBMZHEXSA-N -1 1 358.376 0.143 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2nnc3n2CCC3)c([N+](=O)[O-])n1 ZINC000532858412 490131182 /nfs/dbraw/zinc/13/11/82/490131182.db2.gz NCJWIVBEJYNAMG-QMMMGPOBSA-N -1 1 355.380 0.388 20 5 FCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H](O)COc1ccc(F)cc1 ZINC000533094108 490174912 /nfs/dbraw/zinc/17/49/12/490174912.db2.gz UVZKXMVGCOGXKF-LLVKDONJSA-N -1 1 371.346 0.847 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]CCN(C)CC(F)(F)F)c([N+](=O)[O-])n1 ZINC000533174506 490188335 /nfs/dbraw/zinc/18/83/35/490188335.db2.gz NFYHNSGGUYEHKH-UHFFFAOYSA-N -1 1 359.330 0.584 20 5 FCBDMM O=C1[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CN1c1ccc(F)cc1 ZINC000547244722 490273020 /nfs/dbraw/zinc/27/30/20/490273020.db2.gz YHWLEVUPKCVZEM-LLVKDONJSA-N -1 1 366.330 0.823 20 5 FCBDMM Cn1cc([C@@H](CO)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000533799743 490283106 /nfs/dbraw/zinc/28/31/06/490283106.db2.gz XAKGARHFNZQZIC-SNVBAGLBSA-N -1 1 360.779 0.994 20 5 FCBDMM O=C(Nc1cc(N2CCCS2(=O)=O)ccc1[O-])c1n[nH]cc1[N+](=O)[O-] ZINC000483212639 490292019 /nfs/dbraw/zinc/29/20/19/490292019.db2.gz YKKQFYNZGUQQIA-UHFFFAOYSA-N -1 1 367.343 0.816 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2nccn2C)c([N+](=O)[O-])n1 ZINC000483893053 490352523 /nfs/dbraw/zinc/35/25/23/490352523.db2.gz YLPKBAFCQSZJAU-ONGXEEELSA-N -1 1 370.391 0.353 20 5 FCBDMM COCCCNC(=O)C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000484842912 490470942 /nfs/dbraw/zinc/47/09/42/490470942.db2.gz NPDUEGNUNFYLNK-UHFFFAOYSA-N -1 1 366.374 0.700 20 5 FCBDMM Cc1cnn(C[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000548535159 490499091 /nfs/dbraw/zinc/49/90/91/490499091.db2.gz LUDIEQKNYJDBAQ-SNVBAGLBSA-N -1 1 372.334 0.671 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]c2cc(C(=O)OC)c[nH]c2=O)c([N+](=O)[O-])n1 ZINC000537750580 490693754 /nfs/dbraw/zinc/69/37/54/490693754.db2.gz WQNIARMUPPTNPC-UHFFFAOYSA-N -1 1 371.331 0.499 20 5 FCBDMM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCOCC1 ZINC000539554989 490788709 /nfs/dbraw/zinc/78/87/09/490788709.db2.gz PMNRALJWDRBKLH-UHFFFAOYSA-N -1 1 363.779 0.385 20 5 FCBDMM CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1(C)C ZINC000530493986 490909593 /nfs/dbraw/zinc/90/95/93/490909593.db2.gz RYIADUZCMVFIAB-RISCZKNCSA-N -1 1 359.404 0.834 20 5 FCBDMM CC[C@@H](C(=O)OC)N1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000575930264 491570691 /nfs/dbraw/zinc/57/06/91/491570691.db2.gz PMDYTKRMJIMSED-LBPRGKRZSA-N -1 1 352.347 0.405 20 5 FCBDMM NC(=O)Cc1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000589235559 491758269 /nfs/dbraw/zinc/75/82/69/491758269.db2.gz BFWBEVNTACNJAX-UHFFFAOYSA-N -1 1 350.356 0.496 20 5 FCBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCc2nc(C(=O)[O-])cs2)n1 ZINC000600664882 491874088 /nfs/dbraw/zinc/87/40/88/491874088.db2.gz JHYYHIYCYDRGTP-UHFFFAOYSA-N -1 1 361.361 0.004 20 5 FCBDMM Cc1nn(Cc2ccc(C(=O)NCc3nn[n-]n3)cc2)c(C)c1[N+](=O)[O-] ZINC000609532873 492211837 /nfs/dbraw/zinc/21/18/37/492211837.db2.gz RTBCAMPYDSZWAZ-UHFFFAOYSA-N -1 1 356.346 0.900 20 5 FCBDMM Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000609532225 492211964 /nfs/dbraw/zinc/21/19/64/492211964.db2.gz IILBPVQVHRTTJR-GFCCVEGCSA-N -1 1 359.346 0.337 20 5 FCBDMM C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C(=O)N1c1cnn(C)c1 ZINC000610365206 492243130 /nfs/dbraw/zinc/24/31/30/492243130.db2.gz HBDMXGNSGAAQEP-PELKAZGASA-N -1 1 360.330 0.353 20 5 FCBDMM CCS(=O)(=O)NC1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000444857471 535667621 /nfs/dbraw/zinc/66/76/21/535667621.db2.gz JYYPTRDRQHYZAL-UHFFFAOYSA-N -1 1 358.376 0.239 20 5 FCBDMM CC(C)(C)n1nnc(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000594476930 546999981 /nfs/dbraw/zinc/99/99/81/546999981.db2.gz ZZINFLIZJOLUJY-UHFFFAOYSA-N -1 1 354.392 0.956 20 5 FCBDMM O=C(COc1ccc([N+](=O)[O-])c(F)c1)N=c1cc[nH]cc1-c1nn[n-]n1 ZINC000737919922 599255884 /nfs/dbraw/zinc/25/58/84/599255884.db2.gz NNDUXTHOFOGPRD-UHFFFAOYSA-N -1 1 359.277 0.748 20 5 FCBDMM CC(=O)NCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000819762606 597681841 /nfs/dbraw/zinc/68/18/41/597681841.db2.gz SVWFWABECVSSPT-MRVPVSSYSA-N -1 1 355.351 0.493 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCOC2)c1-c1nn[n-]n1 ZINC000826499884 607611242 /nfs/dbraw/zinc/61/12/42/607611242.db2.gz CTHHGCLFXDBHSF-MRVPVSSYSA-N -1 1 354.348 0.232 20 5 FCBDMM C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(C)(C)O ZINC000824641035 607630302 /nfs/dbraw/zinc/63/03/02/607630302.db2.gz RPFQQYZRWMWHOR-ZETCQYMHSA-N -1 1 356.364 0.213 20 5 FCBDMM C[C@@](O)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1CC1 ZINC000824670645 607636540 /nfs/dbraw/zinc/63/65/40/607636540.db2.gz SUSLOQDOFBRRCG-CYBMUJFWSA-N -1 1 368.375 0.214 20 5 FCBDMM C[C@@H](O)C[C@@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824689540 607641315 /nfs/dbraw/zinc/64/13/15/607641315.db2.gz MHIUXPQODPSOOX-RKDXNWHRSA-N -1 1 370.391 0.460 20 5 FCBDMM CC[C@H](O)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825154736 607645589 /nfs/dbraw/zinc/64/55/89/607645589.db2.gz SMBRXXZIZRZYRT-VIFPVBQESA-N -1 1 370.391 0.604 20 5 FCBDMM CC(C)[C@@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824337637 607663546 /nfs/dbraw/zinc/66/35/46/607663546.db2.gz FDYFSHQAVNLXKP-MRVPVSSYSA-N -1 1 356.364 0.070 20 5 FCBDMM C[C@@H](CCCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824402149 607668626 /nfs/dbraw/zinc/66/86/26/607668626.db2.gz VBDFHWKGOXOLTA-QMMMGPOBSA-N -1 1 356.364 0.214 20 5 FCBDMM CS[C@@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826226072 607744363 /nfs/dbraw/zinc/74/43/63/607744363.db2.gz RLFUJCWZDVRVCV-ZETCQYMHSA-N -1 1 358.405 0.805 20 5 FCBDMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000823290320 606533131 /nfs/dbraw/zinc/53/31/31/606533131.db2.gz WHRAEIODWGNKPJ-UHFFFAOYSA-N -1 1 366.301 0.936 20 5 FCBDMM CNc1cc2c(nn1)CCN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])C2 ZINC000821637901 606707785 /nfs/dbraw/zinc/70/77/85/606707785.db2.gz YLISTNZVFXMKOV-UHFFFAOYSA-N -1 1 354.334 0.564 20 5 FCBDMM CNc1cc2c(nn1)CCN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])C2 ZINC000821637901 606707786 /nfs/dbraw/zinc/70/77/86/606707786.db2.gz YLISTNZVFXMKOV-UHFFFAOYSA-N -1 1 354.334 0.564 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(O[C@@H]2CCOC2)CC1 ZINC000823620947 606716074 /nfs/dbraw/zinc/71/60/74/606716074.db2.gz UJQOSCKUFYUVSY-LLVKDONJSA-N -1 1 361.362 0.944 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(O[C@@H]2CCOC2)CC1 ZINC000823620947 606716076 /nfs/dbraw/zinc/71/60/76/606716076.db2.gz UJQOSCKUFYUVSY-LLVKDONJSA-N -1 1 361.362 0.944 20 5 FCBDMM CS(=O)(=O)N1CCC[C@@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826223760 607810261 /nfs/dbraw/zinc/81/02/61/607810261.db2.gz ZBWQRQZTJHBWNN-MRVPVSSYSA-N -1 1 368.379 0.006 20 5 FCBDMM CS(=O)(=O)N1CCC[C@@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826223760 607810262 /nfs/dbraw/zinc/81/02/62/607810262.db2.gz ZBWQRQZTJHBWNN-MRVPVSSYSA-N -1 1 368.379 0.006 20 5 FCBDMM O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826498166 607895801 /nfs/dbraw/zinc/89/58/01/607895801.db2.gz JRKOJDQNKQWJJK-TZMCWYRMSA-N -1 1 357.330 0.676 20 5 FCBDMM O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826498166 607895802 /nfs/dbraw/zinc/89/58/02/607895802.db2.gz JRKOJDQNKQWJJK-TZMCWYRMSA-N -1 1 357.330 0.676 20 5 FCBDMM CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(=O)OC ZINC000825148084 608054926 /nfs/dbraw/zinc/05/49/26/608054926.db2.gz NZMPJLGSWCTGGT-SSDOTTSWSA-N -1 1 370.347 0.005 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccncc2)c1-c1nn[n-]n1 ZINC000826500178 608416149 /nfs/dbraw/zinc/41/61/49/608416149.db2.gz NUKLEYCOKFTYPB-UHFFFAOYSA-N -1 1 361.343 0.648 20 5 FCBDMM CC(=O)N1CCN(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000780067515 668453873 /nfs/dbraw/zinc/45/38/73/668453873.db2.gz HCUAZATVAXFQEH-UHFFFAOYSA-N -1 1 351.315 0.148 20 5 FCBDMM O=C(NCc1cnc(N2CCOCC2)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000787765099 668809099 /nfs/dbraw/zinc/80/90/99/668809099.db2.gz RXURXRJXEYFHPF-UHFFFAOYSA-N -1 1 365.371 0.919 20 5 FCBDMM O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798148387 669212536 /nfs/dbraw/zinc/21/25/36/669212536.db2.gz ZERWVBVWXKEKNL-UHFFFAOYSA-N -1 1 352.738 0.885 20 5 FCBDMM COC(=O)[C@@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809829417 669642499 /nfs/dbraw/zinc/64/24/99/669642499.db2.gz BACIHNOBGYLIRA-QMMMGPOBSA-N -1 1 373.170 0.714 20 5 FCBDMM COC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(N)=O ZINC000830973038 669819582 /nfs/dbraw/zinc/81/95/82/669819582.db2.gz YEKUUJHEZQIVEX-LURJTMIESA-N -1 1 372.186 0.680 20 5 FCBDMM CON(C)C(=O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000817148391 670000627 /nfs/dbraw/zinc/00/06/27/670000627.db2.gz QPQPITBDGNVOJJ-UHFFFAOYSA-N -1 1 355.731 0.685 20 5 FCBDMM CON(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000859412224 671824488 /nfs/dbraw/zinc/82/44/88/671824488.db2.gz DPMDOTDCRYIOJL-SSDOTTSWSA-N -1 1 351.768 0.935 20 5 FCBDMM NC(=O)C1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000124673165 672736606 /nfs/dbraw/zinc/73/66/06/672736606.db2.gz INRAFCZGHCYYJL-UHFFFAOYSA-N -1 1 364.177 0.654 20 5 FCBDMM C[C@H](CC(N)=O)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000135103273 673463891 /nfs/dbraw/zinc/46/38/91/673463891.db2.gz RERVAVFVXYHRAY-ZCFIWIBFSA-N -1 1 366.193 0.900 20 5 FCBDMM COCCNC(=O)Cn1cc([N-]c2nc3ccccn3c2[N+](=O)[O-])cn1 ZINC000742413589 1198178969 /nfs/dbraw/zinc/17/89/69/1198178969.db2.gz DRIGFUFUYDUOOX-UHFFFAOYSA-N -1 1 359.346 0.945 20 5 FCBDMM O=C([O-])c1cn([C@H]2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)nn1 ZINC000818315770 1203137483 /nfs/dbraw/zinc/13/74/83/1203137483.db2.gz ALBULPSQRQVGEO-VIFPVBQESA-N -1 1 371.313 0.848 20 5 FCBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000780076867 1218189642 /nfs/dbraw/zinc/18/96/42/1218189642.db2.gz XMUOCSRKXLPGBS-VIFPVBQESA-N -1 1 365.342 0.570 20 5 FCBDMM O=C(NCCN1C(=O)COc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001322043119 1264136046 /nfs/dbraw/zinc/13/60/46/1264136046.db2.gz FOJJIWREVDQYOW-UHFFFAOYSA-N -1 1 358.310 0.851 20 5 FCBDMM C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CCO1 ZINC001576358743 1273182043 /nfs/dbraw/zinc/18/20/43/1273182043.db2.gz BGMAYTWPQJYQBT-QMMMGPOBSA-N -1 1 354.348 0.184 20 5 FCBDMM C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CCO1 ZINC001576358743 1273182046 /nfs/dbraw/zinc/18/20/46/1273182046.db2.gz BGMAYTWPQJYQBT-QMMMGPOBSA-N -1 1 354.348 0.184 20 5 FCBDMM CC(=O)N(C)C1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001588796772 1282702357 /nfs/dbraw/zinc/70/23/57/1282702357.db2.gz GFJSHQOUHUOGOD-UHFFFAOYSA-N -1 1 360.378 0.804 20 5 FCBDMM CC(=O)N(C)C1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001588796772 1282702364 /nfs/dbraw/zinc/70/23/64/1282702364.db2.gz GFJSHQOUHUOGOD-UHFFFAOYSA-N -1 1 360.378 0.804 20 5 FCBDMM CC(C)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001589721730 1282963806 /nfs/dbraw/zinc/96/38/06/1282963806.db2.gz SHFGDNXXYKYQRC-UHFFFAOYSA-N -1 1 357.330 0.614 20 5 FCBDMM CC(C)OCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001589748226 1282974836 /nfs/dbraw/zinc/97/48/36/1282974836.db2.gz ABVJGYUSWSFHMP-UHFFFAOYSA-N -1 1 356.364 0.478 20 5 FCBDMM CC(C)OCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001589748226 1282974846 /nfs/dbraw/zinc/97/48/46/1282974846.db2.gz ABVJGYUSWSFHMP-UHFFFAOYSA-N -1 1 356.364 0.478 20 5 FCBDMM C[C@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CCO1 ZINC001590206822 1283325841 /nfs/dbraw/zinc/32/58/41/1283325841.db2.gz LUCMFJBSOFUEDS-IUCAKERBSA-N -1 1 368.375 0.621 20 5 FCBDMM C[C@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CCO1 ZINC001590206822 1283325852 /nfs/dbraw/zinc/32/58/52/1283325852.db2.gz LUCMFJBSOFUEDS-IUCAKERBSA-N -1 1 368.375 0.621 20 5 FCBDMM CC[C@](C)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)OC ZINC001590381355 1283508458 /nfs/dbraw/zinc/50/84/58/1283508458.db2.gz JUQMDRNCAFAAJM-CYBMUJFWSA-N -1 1 370.391 0.868 20 5 FCBDMM CNC(=O)N[C@@H]1CCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001591209748 1284340685 /nfs/dbraw/zinc/34/06/85/1284340685.db2.gz HPVBHCFWRWFHTL-SSDOTTSWSA-N -1 1 352.380 0.734 20 5 FCBDMM CNC(=O)N[C@@H]1CCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001591209748 1284340688 /nfs/dbraw/zinc/34/06/88/1284340688.db2.gz HPVBHCFWRWFHTL-SSDOTTSWSA-N -1 1 352.380 0.734 20 5 FCBDMM COC(=O)[C@@H]1[C@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1(F)F ZINC001591282210 1284438267 /nfs/dbraw/zinc/43/82/67/1284438267.db2.gz JTCPYDMXHOWDDT-BQBZGAKWSA-N -1 1 355.261 0.636 20 5 FCBDMM COC(=O)[C@@H]1[C@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1(F)F ZINC001591282210 1284438272 /nfs/dbraw/zinc/43/82/72/1284438272.db2.gz JTCPYDMXHOWDDT-BQBZGAKWSA-N -1 1 355.261 0.636 20 5 FCBDMM CO[C@]1(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001591342648 1284479670 /nfs/dbraw/zinc/47/96/70/1284479670.db2.gz IFRZVSLWSGJLOI-NSHDSACASA-N -1 1 374.404 0.452 20 5 FCBDMM CO[C@]1(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001591342648 1284479673 /nfs/dbraw/zinc/47/96/73/1284479673.db2.gz IFRZVSLWSGJLOI-NSHDSACASA-N -1 1 374.404 0.452 20 5 FCBDMM COCC[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001591398121 1284537814 /nfs/dbraw/zinc/53/78/14/1284537814.db2.gz AGCACSPWAOUPMF-VIFPVBQESA-N -1 1 370.391 0.726 20 5 FCBDMM CS(=O)(=O)CC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001591670982 1284802548 /nfs/dbraw/zinc/80/25/48/1284802548.db2.gz BACAQWJMAYZKGP-UHFFFAOYSA-N -1 1 367.391 0.431 20 5 FCBDMM CS(=O)(=O)CC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001591670982 1284802562 /nfs/dbraw/zinc/80/25/62/1284802562.db2.gz BACAQWJMAYZKGP-UHFFFAOYSA-N -1 1 367.391 0.431 20 5 FCBDMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC001591837298 1284945380 /nfs/dbraw/zinc/94/53/80/1284945380.db2.gz YBUHAEZYSNGNEK-UHFFFAOYSA-N -1 1 355.314 0.392 20 5 FCBDMM Cc1cc(N(C)CC(=O)N2CC[NH+](C)CC2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591993756 1285047223 /nfs/dbraw/zinc/04/72/23/1285047223.db2.gz CKLWSSQAIGRWBB-UHFFFAOYSA-N -1 1 374.405 0.294 20 5 FCBDMM Cc1cc(N2CCN(C(=O)[C@@H](C)O)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592006174 1285054051 /nfs/dbraw/zinc/05/40/51/1285054051.db2.gz BRKQFQRSHRNEAN-SNVBAGLBSA-N -1 1 361.362 0.113 20 5 FCBDMM Cc1cc(N2CCN(C(=O)[C@@H](C)O)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592006174 1285054060 /nfs/dbraw/zinc/05/40/60/1285054060.db2.gz BRKQFQRSHRNEAN-SNVBAGLBSA-N -1 1 361.362 0.113 20 5 FCBDMM Cc1cc(N2CC[C@@H](NS(C)(=O)=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592005267 1285054824 /nfs/dbraw/zinc/05/48/24/1285054824.db2.gz ZZIBEPLSFSBPPJ-SECBINFHSA-N -1 1 367.391 0.211 20 5 FCBDMM Cc1cc(N2CC[C@@H](NS(C)(=O)=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592005267 1285054831 /nfs/dbraw/zinc/05/48/31/1285054831.db2.gz ZZIBEPLSFSBPPJ-SECBINFHSA-N -1 1 367.391 0.211 20 5 FCBDMM Cc1nc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc([N+](=O)[O-])ccc32)no1 ZINC001592363041 1285278272 /nfs/dbraw/zinc/27/82/72/1285278272.db2.gz RLMWGYAFMMROOH-UHFFFAOYSA-N -1 1 354.286 0.830 20 5 FCBDMM CN(c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001604828194 1287788952 /nfs/dbraw/zinc/78/89/52/1287788952.db2.gz KFDLNLZXPPYROL-SSDOTTSWSA-N -1 1 373.420 0.307 20 5 FCBDMM CN(c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001604828194 1287788954 /nfs/dbraw/zinc/78/89/54/1287788954.db2.gz KFDLNLZXPPYROL-SSDOTTSWSA-N -1 1 373.420 0.307 20 5 FCBDMM Cn1cc(N2CCN(c3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2=O)cn1 ZINC001592576204 1285494879 /nfs/dbraw/zinc/49/48/79/1285494879.db2.gz MVNYRYBXUILJSU-UHFFFAOYSA-N -1 1 369.345 0.362 20 5 FCBDMM Cn1cc(N2CCN(c3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2=O)cn1 ZINC001592576204 1285494883 /nfs/dbraw/zinc/49/48/83/1285494883.db2.gz MVNYRYBXUILJSU-UHFFFAOYSA-N -1 1 369.345 0.362 20 5 FCBDMM Cn1cnnc1C1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001592591407 1285525041 /nfs/dbraw/zinc/52/50/41/1285525041.db2.gz RFTLLJYGSLAGJL-UHFFFAOYSA-N -1 1 370.377 0.870 20 5 FCBDMM Cn1cnnc1C1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001592591407 1285525047 /nfs/dbraw/zinc/52/50/47/1285525047.db2.gz RFTLLJYGSLAGJL-UHFFFAOYSA-N -1 1 370.377 0.870 20 5 FCBDMM CN(C)C(=O)O[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001609265136 1289029898 /nfs/dbraw/zinc/02/98/98/1289029898.db2.gz WVTXDUFYYACELU-VIFPVBQESA-N -1 1 362.350 0.837 20 5 FCBDMM CN(C)C(=O)O[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001609265136 1289029903 /nfs/dbraw/zinc/02/99/03/1289029903.db2.gz WVTXDUFYYACELU-VIFPVBQESA-N -1 1 362.350 0.837 20 5 FCBDMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21)C(F)F ZINC001592936721 1285825699 /nfs/dbraw/zinc/82/56/99/1285825699.db2.gz YSLUOIIYEBPGGZ-UHFFFAOYSA-N -1 1 350.241 0.924 20 5 FCBDMM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001593293788 1286067795 /nfs/dbraw/zinc/06/77/95/1286067795.db2.gz VGTBKFAHYWGXAK-UHFFFAOYSA-N -1 1 374.288 0.933 20 5 FCBDMM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001593293788 1286067798 /nfs/dbraw/zinc/06/77/98/1286067798.db2.gz VGTBKFAHYWGXAK-UHFFFAOYSA-N -1 1 374.288 0.933 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H](n2ccnn2)CC1 ZINC001593466786 1286171367 /nfs/dbraw/zinc/17/13/67/1286171367.db2.gz XIHZJPXPLJRCOR-JTQLQIEISA-N -1 1 356.350 0.993 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@H](n2ccnn2)CC1 ZINC001593466786 1286171370 /nfs/dbraw/zinc/17/13/70/1286171370.db2.gz XIHZJPXPLJRCOR-JTQLQIEISA-N -1 1 356.350 0.993 20 5 FCBDMM O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1OS(=O)(=O)c1c[n-]nc1Cl ZINC001593470155 1286172240 /nfs/dbraw/zinc/17/22/40/1286172240.db2.gz KEZKSNLQTSNQLQ-UHFFFAOYSA-N -1 1 371.722 0.919 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCC2CSC2)c1-c1nn[n-]n1 ZINC001593485137 1286174650 /nfs/dbraw/zinc/17/46/50/1286174650.db2.gz JHWXQGBWTCNWRU-UHFFFAOYSA-N -1 1 356.389 0.416 20 5 FCBDMM O=[N+]([O-])c1cnc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)s1 ZINC001593486533 1286176192 /nfs/dbraw/zinc/17/61/92/1286176192.db2.gz YLLMKYKOVVHAHF-UHFFFAOYSA-N -1 1 359.375 0.953 20 5 FCBDMM O=[N+]([O-])c1cnc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)s1 ZINC001593486533 1286176194 /nfs/dbraw/zinc/17/61/94/1286176194.db2.gz YLLMKYKOVVHAHF-UHFFFAOYSA-N -1 1 359.375 0.953 20 5 FCBDMM O=c1cc(-c2nn[n-]n2)ncn1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001593494854 1286181826 /nfs/dbraw/zinc/18/18/26/1286181826.db2.gz YSUPNAHIZKAVCR-UHFFFAOYSA-N -1 1 357.286 0.246 20 5 FCBDMM COC(=O)Cc1ccc(NCCn2cnc(-c3nn[n-]n3)n2)c([N+](=O)[O-])c1 ZINC001609299745 1289071229 /nfs/dbraw/zinc/07/12/29/1289071229.db2.gz NBRPBLIHYYOZEY-UHFFFAOYSA-N -1 1 373.333 0.194 20 5 FCBDMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2ccccc2[N+](=O)[O-])c1 ZINC001609301816 1289075473 /nfs/dbraw/zinc/07/54/73/1289075473.db2.gz CTWYMFHAXZNYHA-UHFFFAOYSA-N -1 1 356.298 0.772 20 5 FCBDMM COC(=O)c1n[nH]c2c1CN(c1cccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC001609306650 1289078898 /nfs/dbraw/zinc/07/88/98/1289078898.db2.gz UMLOHPULZYAFAA-UHFFFAOYSA-N -1 1 370.329 0.847 20 5 FCBDMM COC(=O)c1n[nH]c2c1CN(c1cccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC001609306650 1289078907 /nfs/dbraw/zinc/07/89/07/1289078907.db2.gz UMLOHPULZYAFAA-UHFFFAOYSA-N -1 1 370.329 0.847 20 5 FCBDMM CO[C@@H](C)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001609308284 1289082149 /nfs/dbraw/zinc/08/21/49/1289082149.db2.gz IQKHBMNMAVCGJG-QMMMGPOBSA-N -1 1 356.364 0.430 20 5 FCBDMM CC(=O)c1cccc(NC(=O)Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)c1 ZINC001602979090 1287171096 /nfs/dbraw/zinc/17/10/96/1287171096.db2.gz LNGAYLGLIGWXLW-UHFFFAOYSA-N -1 1 356.302 0.813 20 5 FCBDMM C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)n1cnc(-c2nn[n-]n2)n1 ZINC001603003158 1287178252 /nfs/dbraw/zinc/17/82/52/1287178252.db2.gz CYDZBESDRMFYDL-QMMMGPOBSA-N -1 1 355.318 0.517 20 5 FCBDMM COCCn1cc(CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)cn1 ZINC001605125327 1287890598 /nfs/dbraw/zinc/89/05/98/1287890598.db2.gz ZECMZVFWGXXNEA-UHFFFAOYSA-N -1 1 359.350 0.812 20 5 FCBDMM COCCn1cc(CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)cn1 ZINC001605125327 1287890605 /nfs/dbraw/zinc/89/06/05/1287890605.db2.gz ZECMZVFWGXXNEA-UHFFFAOYSA-N -1 1 359.350 0.812 20 5 FCBDMM Nc1cc(N2CCN(CC(F)F)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] 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O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000372246907 489563578 /nfs/dbraw/zinc/56/35/78/489563578.db2.gz IBWGUPVURCYLBF-CYBMUJFWSA-N -1 1 364.402 0.437 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])n1 ZINC000428376812 489645827 /nfs/dbraw/zinc/64/58/27/489645827.db2.gz FVIZCSBJARYLIK-JTQLQIEISA-N -1 1 352.372 0.963 20 5 FCBDMM O=C([O-])[C@@H]1[C@H]2CCCN2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000377113203 489853511 /nfs/dbraw/zinc/85/35/11/489853511.db2.gz ISAYKDFAPBCJRC-OLZOCXBDSA-N -1 1 355.372 0.517 20 5 FCBDMM CC(C)(NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1nn[n-]n1 ZINC000461635052 489924915 /nfs/dbraw/zinc/92/49/15/489924915.db2.gz KUNFWRDQCMJGQF-UHFFFAOYSA-N -1 1 354.348 0.177 20 5 FCBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCc2nnnn2CC1 ZINC000420748108 490017227 /nfs/dbraw/zinc/01/72/27/490017227.db2.gz IQILFZKZXSGMRN-QMMMGPOBSA-N -1 1 372.794 0.918 20 5 FCBDMM C[C@H](CN(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000478583753 490026623 /nfs/dbraw/zinc/02/66/23/490026623.db2.gz KQWTYIJQNAYJIA-SECBINFHSA-N -1 1 357.334 0.564 20 5 FCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1 ZINC000545183799 490093965 /nfs/dbraw/zinc/09/39/65/490093965.db2.gz DRAOGMQOUVBIRJ-UHFFFAOYSA-N -1 1 353.238 0.870 20 5 FCBDMM CC(C)OCCOC[C@H](O)CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445007410 490118521 /nfs/dbraw/zinc/11/85/21/490118521.db2.gz YCXOTTPTAMYDKV-GFCCVEGCSA-N -1 1 357.363 0.570 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCc3nnc(C)n3C2)c([N+](=O)[O-])n1 ZINC000532859388 490130966 /nfs/dbraw/zinc/13/09/66/490130966.db2.gz PGVFCKJGKTYCDW-JTQLQIEISA-N -1 1 369.407 0.252 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCc3c2cnn3C)c([N+](=O)[O-])n1 ZINC000533634340 490269661 /nfs/dbraw/zinc/26/96/61/490269661.db2.gz VMMFEIZVXVMGQO-SNVBAGLBSA-N -1 1 354.392 0.901 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](O)COCC(C)C)c([N+](=O)[O-])n1 ZINC000533633533 490269747 /nfs/dbraw/zinc/26/97/47/490269747.db2.gz OPEWRSQXIYPUOU-JTQLQIEISA-N -1 1 350.397 0.123 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](CO)Cc2ccco2)c([N+](=O)[O-])n1 ZINC000533694518 490276458 /nfs/dbraw/zinc/27/64/58/490276458.db2.gz WMHPJCRNOPIHDX-SNVBAGLBSA-N -1 1 358.376 0.534 20 5 FCBDMM COc1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc([N+](=O)[O-])c1C ZINC000484052984 490376706 /nfs/dbraw/zinc/37/67/06/490376706.db2.gz AFALGRANJLXEBC-UHFFFAOYSA-N -1 1 355.332 0.686 20 5 FCBDMM COc1cc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc([N+](=O)[O-])c1C ZINC000484052984 490376710 /nfs/dbraw/zinc/37/67/10/490376710.db2.gz AFALGRANJLXEBC-UHFFFAOYSA-N -1 1 355.332 0.686 20 5 FCBDMM COc1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])ccc1[N-]S(C)(=O)=O ZINC000548944703 490555594 /nfs/dbraw/zinc/55/55/94/490555594.db2.gz HRPURJUUKYXPCV-UHFFFAOYSA-N -1 1 355.332 0.950 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCO[C@]3(CCOC3)C2)c([N+](=O)[O-])n1 ZINC000536131766 490556648 /nfs/dbraw/zinc/55/66/48/490556648.db2.gz JHRPTZZYYRTZRQ-GXFFZTMASA-N -1 1 360.392 0.428 20 5 FCBDMM COC(=O)c1cc(NC(=O)CNC(=O)c2ncccc2[O-])cc([N+](=O)[O-])c1 ZINC000511067604 490559163 /nfs/dbraw/zinc/55/91/63/490559163.db2.gz VUSVPQQNCQOKMP-UHFFFAOYSA-N -1 1 374.309 0.851 20 5 FCBDMM O=C(c1cccc(O)c1)N1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000513265287 490717926 /nfs/dbraw/zinc/71/79/26/490717926.db2.gz ALIPOHOOMLZWRR-UHFFFAOYSA-N -1 1 372.337 0.999 20 5 FCBDMM CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000516755257 490876658 /nfs/dbraw/zinc/87/66/58/490876658.db2.gz WEOMZGCYLPPINH-SECBINFHSA-N -1 1 358.376 0.239 20 5 FCBDMM COCCC(=O)N1CCC([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000532006208 490982768 /nfs/dbraw/zinc/98/27/68/490982768.db2.gz BQNKYGUGZGTEHQ-UHFFFAOYSA-N -1 1 372.403 0.296 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(C(=O)OC)o2)c([N+](=O)[O-])n1 ZINC000559142148 491455942 /nfs/dbraw/zinc/45/59/42/491455942.db2.gz AKUUFZMFGKNPJH-UHFFFAOYSA-N -1 1 358.332 0.669 20 5 FCBDMM CNc1nccc(C(=O)[N-]c2nnc(CCC(=O)OC)s2)c1[N+](=O)[O-] ZINC000579491224 491699205 /nfs/dbraw/zinc/69/92/05/491699205.db2.gz VAKXJHPOGAGWED-UHFFFAOYSA-N -1 1 366.359 1.241 20 5 FCBDMM CCc1nc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC000600654848 491872283 /nfs/dbraw/zinc/87/22/83/491872283.db2.gz HNYNNRXDLGOJJM-UHFFFAOYSA-N -1 1 369.359 0.462 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CC(=O)N(C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000595361112 491923745 /nfs/dbraw/zinc/92/37/45/491923745.db2.gz PEODGTKOEIZSGH-SNVBAGLBSA-N -1 1 373.435 0.737 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]CC2(CC(N)=O)CCCCC2)c([N+](=O)[O-])n1 ZINC000595388020 491927186 /nfs/dbraw/zinc/92/71/86/491927186.db2.gz SHBROEUQFHROMY-UHFFFAOYSA-N -1 1 373.435 0.915 20 5 FCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CCCN1CC(F)F ZINC000599396853 492167918 /nfs/dbraw/zinc/16/79/18/492167918.db2.gz DDOURMGYETUGDD-VIFPVBQESA-N -1 1 350.347 0.998 20 5 FCBDMM COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600464855 492272289 /nfs/dbraw/zinc/27/22/89/492272289.db2.gz ZYUPSIMFWJCVQO-MWLCHTKSSA-N -1 1 353.331 0.784 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@](C)(CO)c2ccccc2)c([N+](=O)[O-])n1 ZINC000611106078 492278233 /nfs/dbraw/zinc/27/82/33/492278233.db2.gz WOHBORMWEQALGN-CQSZACIVSA-N -1 1 354.388 0.997 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@@](C)(CO)c2ccccc2)c([N+](=O)[O-])n1 ZINC000611106077 492278257 /nfs/dbraw/zinc/27/82/57/492278257.db2.gz WOHBORMWEQALGN-AWEZNQCLSA-N -1 1 354.388 0.997 20 5 FCBDMM CCOC(=O)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000445147536 535487770 /nfs/dbraw/zinc/48/77/70/535487770.db2.gz TVLBKAXQHLLBGG-LBPRGKRZSA-N -1 1 353.331 0.784 20 5 FCBDMM C[C@@](CO)(CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CC(=O)[O-] ZINC000548683838 547012714 /nfs/dbraw/zinc/01/27/14/547012714.db2.gz DIVGCOJPHQEBIW-LBPRGKRZSA-N -1 1 350.324 0.486 20 5 FCBDMM COC(=O)CN1CCC[C@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000552168905 547324558 /nfs/dbraw/zinc/32/45/58/547324558.db2.gz VEYUAJSDDCWGSR-SNVBAGLBSA-N -1 1 352.347 0.310 20 5 FCBDMM COC(=O)CN1CCC[C@@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000552168904 547324644 /nfs/dbraw/zinc/32/46/44/547324644.db2.gz VEYUAJSDDCWGSR-JTQLQIEISA-N -1 1 352.347 0.310 20 5 FCBDMM Cc1cnc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822395205 599105279 /nfs/dbraw/zinc/10/52/79/599105279.db2.gz WGEDHLQJANYZDX-UHFFFAOYSA-N -1 1 358.366 0.853 20 5 FCBDMM O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738370596 598266387 /nfs/dbraw/zinc/26/63/87/598266387.db2.gz WIPMUDJBGASCTI-UHFFFAOYSA-N -1 1 361.343 0.648 20 5 FCBDMM O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738370596 598266389 /nfs/dbraw/zinc/26/63/89/598266389.db2.gz WIPMUDJBGASCTI-UHFFFAOYSA-N -1 1 361.343 0.648 20 5 FCBDMM O=[N+]([O-])c1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000738366917 598269630 /nfs/dbraw/zinc/26/96/30/598269630.db2.gz KQMILTWIOCLAMK-UHFFFAOYSA-N -1 1 361.343 0.648 20 5 FCBDMM O=[N+]([O-])c1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000738366917 598269631 /nfs/dbraw/zinc/26/96/31/598269631.db2.gz KQMILTWIOCLAMK-UHFFFAOYSA-N -1 1 361.343 0.648 20 5 FCBDMM O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC000738360620 598385873 /nfs/dbraw/zinc/38/58/73/598385873.db2.gz RGALWLCSXRKUGO-AAEUAGOBSA-N -1 1 358.318 0.071 20 5 FCBDMM O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC000738360620 598385875 /nfs/dbraw/zinc/38/58/75/598385875.db2.gz RGALWLCSXRKUGO-AAEUAGOBSA-N -1 1 358.318 0.071 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)nc1 ZINC000738368208 599425794 /nfs/dbraw/zinc/42/57/94/599425794.db2.gz AQJZROIEEOJCGV-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)nc1 ZINC000738368208 599425795 /nfs/dbraw/zinc/42/57/95/599425795.db2.gz AQJZROIEEOJCGV-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM CN(CC(=O)[O-])C(=O)CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000737400794 600158191 /nfs/dbraw/zinc/15/81/91/600158191.db2.gz AOYHYJCLIZLOBH-UHFFFAOYSA-N -1 1 350.375 0.650 20 5 FCBDMM O=C([O-])CNC(=O)c1ccc(N2CC[C@@H](N3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000833252030 600819548 /nfs/dbraw/zinc/81/95/48/600819548.db2.gz CYXWGSGHQCQMLE-CYBMUJFWSA-N -1 1 360.370 0.860 20 5 FCBDMM COCCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826155750 607588907 /nfs/dbraw/zinc/58/89/07/607588907.db2.gz AMLBDHMDJSXJJD-UHFFFAOYSA-N -1 1 356.364 0.480 20 5 FCBDMM CCCCN(CCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825285253 607622578 /nfs/dbraw/zinc/62/25/78/607622578.db2.gz NXTXMIAYZCXXAT-UHFFFAOYSA-N -1 1 370.391 0.558 20 5 FCBDMM CC(C)C[C@@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824235149 607623380 /nfs/dbraw/zinc/62/33/80/607623380.db2.gz CXUMZSRKMFTEJD-VIFPVBQESA-N -1 1 370.391 0.460 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(O)CCCC2)c1-c1nn[n-]n1 ZINC000826500107 607623597 /nfs/dbraw/zinc/62/35/97/607623597.db2.gz LGOBVSBJQFBODV-UHFFFAOYSA-N -1 1 368.375 0.358 20 5 FCBDMM C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)[C@H](C)CO ZINC000824436219 607641508 /nfs/dbraw/zinc/64/15/08/607641508.db2.gz QPVUBPSJXSVGPW-HTQZYQBOSA-N -1 1 356.364 0.070 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCCSC2)c1-c1nn[n-]n1 ZINC000826500249 607663450 /nfs/dbraw/zinc/66/34/50/607663450.db2.gz PRILDGAFCBYAOQ-QMMMGPOBSA-N -1 1 370.416 0.949 20 5 FCBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)nc1 ZINC000826499028 607729165 /nfs/dbraw/zinc/72/91/65/607729165.db2.gz SDCAGHWNTRPIRK-SECBINFHSA-N -1 1 354.334 0.651 20 5 FCBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)nc1 ZINC000826499028 607729166 /nfs/dbraw/zinc/72/91/66/607729166.db2.gz SDCAGHWNTRPIRK-SECBINFHSA-N -1 1 354.334 0.651 20 5 FCBDMM Cc1nc(CN2CCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CC2)no1 ZINC000822441060 606645836 /nfs/dbraw/zinc/64/58/36/606645836.db2.gz RJUVDHGUMKXWQP-UHFFFAOYSA-N -1 1 371.361 0.789 20 5 FCBDMM O=C(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])NCc1ccccc1 ZINC000823014976 606698766 /nfs/dbraw/zinc/69/87/66/606698766.db2.gz YLQXACPWFXCIQK-UHFFFAOYSA-N -1 1 354.330 0.898 20 5 FCBDMM O=C(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])NCc1ccccc1 ZINC000823014976 606698768 /nfs/dbraw/zinc/69/87/68/606698768.db2.gz YLQXACPWFXCIQK-UHFFFAOYSA-N -1 1 354.330 0.898 20 5 FCBDMM CC(C)C(=O)N1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820011767 606706430 /nfs/dbraw/zinc/70/64/30/606706430.db2.gz PZGAYWSVXLJJBO-UHFFFAOYSA-N -1 1 360.378 0.865 20 5 FCBDMM CC(C)C(=O)N1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820011767 606706431 /nfs/dbraw/zinc/70/64/31/606706431.db2.gz PZGAYWSVXLJJBO-UHFFFAOYSA-N -1 1 360.378 0.865 20 5 FCBDMM CS(=O)(=O)[C@H]1CCC[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821920182 606712208 /nfs/dbraw/zinc/71/22/08/606712208.db2.gz MVAOGYDBGPHZQR-IUCAKERBSA-N -1 1 367.391 0.938 20 5 FCBDMM CS(=O)(=O)[C@H]1CCC[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821920182 606712209 /nfs/dbraw/zinc/71/22/09/606712209.db2.gz MVAOGYDBGPHZQR-IUCAKERBSA-N -1 1 367.391 0.938 20 5 FCBDMM C[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000820776684 606715959 /nfs/dbraw/zinc/71/59/59/606715959.db2.gz MIGVSGWLJRZBIR-JQWIXIFHSA-N -1 1 360.378 0.327 20 5 FCBDMM COC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000821679544 606731137 /nfs/dbraw/zinc/73/11/37/606731137.db2.gz BTBCYAILEAUTFV-UHFFFAOYSA-N -1 1 368.375 0.574 20 5 FCBDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ncccc1[N+](=O)[O-] ZINC000820804109 606807450 /nfs/dbraw/zinc/80/74/50/606807450.db2.gz MQPHPPOCQAJACU-JTQLQIEISA-N -1 1 368.361 0.675 20 5 FCBDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ncccc1[N+](=O)[O-] ZINC000820804109 606807451 /nfs/dbraw/zinc/80/74/51/606807451.db2.gz MQPHPPOCQAJACU-JTQLQIEISA-N -1 1 368.361 0.675 20 5 FCBDMM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826460989 608011767 /nfs/dbraw/zinc/01/17/67/608011767.db2.gz AOYHATBLHGXGTR-MRVPVSSYSA-N -1 1 368.331 0.013 20 5 FCBDMM NC(=O)c1[nH]nc2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc21 ZINC000826393979 608018941 /nfs/dbraw/zinc/01/89/41/608018941.db2.gz RRLPLTSYEZPWIB-UHFFFAOYSA-N -1 1 366.301 0.889 20 5 FCBDMM C[C@]1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCCOC1 ZINC000824837632 608250923 /nfs/dbraw/zinc/25/09/23/608250923.db2.gz HXVIXUFEQKXNNJ-ZDUSSCGKSA-N -1 1 368.375 0.622 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@]2(O)CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000754811242 667611855 /nfs/dbraw/zinc/61/18/55/667611855.db2.gz YJWNYHNNMITXSK-OAHLLOKOSA-N -1 1 366.399 0.924 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](O)c2ccc(OC)cc2)c([N+](=O)[O-])n1 ZINC000754806821 667611895 /nfs/dbraw/zinc/61/18/95/667611895.db2.gz WFSRELKSONOJFU-LBPRGKRZSA-N -1 1 370.387 0.832 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(OC)cc2)c([N+](=O)[O-])n1 ZINC000754806820 667611989 /nfs/dbraw/zinc/61/19/89/667611989.db2.gz WFSRELKSONOJFU-GFCCVEGCSA-N -1 1 370.387 0.832 20 5 FCBDMM O=C(CCc1nc[nH]n1)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000759817704 667822763 /nfs/dbraw/zinc/82/27/63/667822763.db2.gz RPGDCHYMBCBDBM-UHFFFAOYSA-N -1 1 359.751 0.804 20 5 FCBDMM COC(=O)C[C@]1([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCOC1 ZINC000770293128 668185534 /nfs/dbraw/zinc/18/55/34/668185534.db2.gz PBSIJCUTDFKBIV-CYBMUJFWSA-N -1 1 359.360 0.380 20 5 FCBDMM O=C1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CO1 ZINC000820720465 669117976 /nfs/dbraw/zinc/11/79/76/669117976.db2.gz LOLZPIHZZDRJEH-ZETCQYMHSA-N -1 1 365.161 0.951 20 5 FCBDMM CCCc1nnc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)n1N ZINC000840208049 669700874 /nfs/dbraw/zinc/70/08/74/669700874.db2.gz IMMRHCFXYUXTCD-UHFFFAOYSA-N -1 1 364.387 0.901 20 5 FCBDMM NC(=O)[C@@]1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOC1 ZINC000848503329 671281262 /nfs/dbraw/zinc/28/12/62/671281262.db2.gz BFXIKQUPJIQMPK-LLVKDONJSA-N -1 1 367.742 0.310 20 5 FCBDMM COC(=O)C[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000859344054 671817991 /nfs/dbraw/zinc/81/79/91/671817991.db2.gz OYSJTNWWKUZYMK-LURJTMIESA-N -1 1 370.742 0.590 20 5 FCBDMM CON(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000859410631 671824514 /nfs/dbraw/zinc/82/45/14/671824514.db2.gz GHWRQLOQIZRKCF-SSDOTTSWSA-N -1 1 351.768 0.935 20 5 FCBDMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000129510528 1196411731 /nfs/dbraw/zinc/41/17/31/1196411731.db2.gz KDOLPYWCJRDHFI-UHFFFAOYSA-N -1 1 357.326 0.963 20 5 FCBDMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769623420 1200338230 /nfs/dbraw/zinc/33/82/30/1200338230.db2.gz NGMHMSFSECHWSG-UHFFFAOYSA-N -1 1 358.314 0.028 20 5 FCBDMM COC(=O)c1cc(C)nc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)c1[N+](=O)[O-] ZINC001170216397 1201201418 /nfs/dbraw/zinc/20/14/18/1201201418.db2.gz KOHAOGOONBGQMQ-UHFFFAOYSA-N -1 1 361.274 0.858 20 5 FCBDMM Cn1[n-]cc2c(=NC(=O)C(=O)NCc3ccccc3[N+](=O)[O-])ccnc1-2 ZINC000806837030 1202782181 /nfs/dbraw/zinc/78/21/81/1202782181.db2.gz XLPYKXKGXDHFTO-UHFFFAOYSA-N -1 1 354.326 0.505 20 5 FCBDMM CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000819551044 1203163719 /nfs/dbraw/zinc/16/37/19/1203163719.db2.gz CEYNDSYOHCFEOR-SNVBAGLBSA-N -1 1 370.362 0.653 20 5 FCBDMM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000854878011 1209649079 /nfs/dbraw/zinc/64/90/79/1209649079.db2.gz GJSATOSTNTYEDU-MWLCHTKSSA-N -1 1 368.346 0.405 20 5 FCBDMM Cc1n[nH]c(C(=O)N[C@H]2CC[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1[O-] ZINC000963961036 1214879055 /nfs/dbraw/zinc/87/90/55/1214879055.db2.gz YFUNEVPWXMOYTH-DDHJBXDOSA-N -1 1 365.390 0.494 20 5 FCBDMM C[C@H]1OCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)[C@H]1C ZINC001576399232 1273237987 /nfs/dbraw/zinc/23/79/87/1273237987.db2.gz XPXSCFQBNLKWCS-DTWKUNHWSA-N -1 1 368.375 0.573 20 5 FCBDMM C[C@H]1OCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)[C@H]1C ZINC001576399232 1273237995 /nfs/dbraw/zinc/23/79/95/1273237995.db2.gz XPXSCFQBNLKWCS-DTWKUNHWSA-N -1 1 368.375 0.573 20 5 FCBDMM O=[N+]([O-])c1cc(S(=O)(=O)N2CCOC[C@H]2c2c[nH]nn2)ccc1[O-] ZINC001578047648 1275338579 /nfs/dbraw/zinc/33/85/79/1275338579.db2.gz JLOQVQQVQDMWHN-NSHDSACASA-N -1 1 355.332 0.181 20 5 FCBDMM COC[C@]1(C(=O)OC)CCCN1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001579741050 1277850525 /nfs/dbraw/zinc/85/05/25/1277850525.db2.gz ZIRDSTJEZBZECT-ZDUSSCGKSA-N -1 1 368.375 0.995 20 5 FCBDMM COC[C@]1(C(=O)OC)CCCN1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001579741050 1277850526 /nfs/dbraw/zinc/85/05/26/1277850526.db2.gz ZIRDSTJEZBZECT-ZDUSSCGKSA-N -1 1 368.375 0.995 20 5 FCBDMM COCC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CC1 ZINC001579747051 1277856530 /nfs/dbraw/zinc/85/65/30/1277856530.db2.gz NAUNEJAPSKMOGS-UHFFFAOYSA-N -1 1 354.348 0.232 20 5 FCBDMM COCC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CC1 ZINC001579747051 1277856532 /nfs/dbraw/zinc/85/65/32/1277856532.db2.gz NAUNEJAPSKMOGS-UHFFFAOYSA-N -1 1 354.348 0.232 20 5 FCBDMM CC(C)(C)OC(=O)[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC12CC(C(=O)[O-])C2 ZINC001603365928 1287361540 /nfs/dbraw/zinc/36/15/40/1287361540.db2.gz PLVDJPLIUQVWSP-GYWRDMNDSA-N -1 1 368.386 0.933 20 5 FCBDMM C[C@H](CCO)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001603495204 1287392312 /nfs/dbraw/zinc/39/23/12/1287392312.db2.gz IVBMHVRTKWNBNA-MRVPVSSYSA-N -1 1 356.364 0.166 20 5 FCBDMM C[C@H](CCO)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001603495204 1287392315 /nfs/dbraw/zinc/39/23/15/1287392315.db2.gz IVBMHVRTKWNBNA-MRVPVSSYSA-N -1 1 356.364 0.166 20 5 FCBDMM C[C@](CO)(NC(=O)c1cccc(-c2nnn[n-]2)n1)c1cccc([N+](=O)[O-])c1 ZINC001603564933 1287426844 /nfs/dbraw/zinc/42/68/44/1287426844.db2.gz CBIBCNAKNPQKSE-MRXNPFEDSA-N -1 1 369.341 0.807 20 5 FCBDMM C[C@](CO)(NC(=O)c1cccc(-c2nn[n-]n2)n1)c1cccc([N+](=O)[O-])c1 ZINC001603564933 1287426851 /nfs/dbraw/zinc/42/68/51/1287426851.db2.gz CBIBCNAKNPQKSE-MRXNPFEDSA-N -1 1 369.341 0.807 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)N1CCc2ccccc2C1 ZINC001582192335 1281169418 /nfs/dbraw/zinc/16/94/18/1281169418.db2.gz TUUDHICIXHSKAL-UHFFFAOYSA-N -1 1 354.330 0.556 20 5 FCBDMM O=[N+]([O-])c1cnc(S[C@@H]2CCCS(=O)(=O)C2)c(-c2nn[n-]n2)c1 ZINC001582804764 1282030484 /nfs/dbraw/zinc/03/04/84/1282030484.db2.gz LDASSHALZKHGBZ-MRVPVSSYSA-N -1 1 356.389 0.839 20 5 FCBDMM CC(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC001588785866 1282698767 /nfs/dbraw/zinc/69/87/67/1282698767.db2.gz NOXFXCQUPOHLTE-UHFFFAOYSA-N -1 1 352.332 0.175 20 5 FCBDMM C[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588996300 1282761176 /nfs/dbraw/zinc/76/11/76/1282761176.db2.gz PVCWHNZTALANRH-SECBINFHSA-N -1 1 357.334 0.286 20 5 FCBDMM C[C@H](C(=O)OCCc1ccc([N+](=O)[O-])cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001589029460 1282776790 /nfs/dbraw/zinc/77/67/90/1282776790.db2.gz BEDBDDHUSJMJAQ-SECBINFHSA-N -1 1 358.318 0.713 20 5 FCBDMM C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001589926183 1283135101 /nfs/dbraw/zinc/13/51/01/1283135101.db2.gz WJXQQSVXUNGCQD-MRVPVSSYSA-N -1 1 360.309 0.988 20 5 FCBDMM CC1(C)COC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001590111506 1283223631 /nfs/dbraw/zinc/22/36/31/1283223631.db2.gz NUKJYZICDLOGNF-JTQLQIEISA-N -1 1 368.375 0.478 20 5 FCBDMM C[C@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CO1 ZINC001590206785 1283325676 /nfs/dbraw/zinc/32/56/76/1283325676.db2.gz LBEKSJRFJPRKMV-JGVFFNPUSA-N -1 1 354.348 0.231 20 5 FCBDMM C[C@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CO1 ZINC001590206785 1283325690 /nfs/dbraw/zinc/32/56/90/1283325690.db2.gz LBEKSJRFJPRKMV-JGVFFNPUSA-N -1 1 354.348 0.231 20 5 FCBDMM C[C@@H]1C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCS1(=O)=O ZINC001590212844 1283343155 /nfs/dbraw/zinc/34/31/55/1283343155.db2.gz UIZPECOOPLGBBU-SFYZADRCSA-N -1 1 353.364 0.548 20 5 FCBDMM C[C@@H]1C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCS1(=O)=O ZINC001590212844 1283343166 /nfs/dbraw/zinc/34/31/66/1283343166.db2.gz UIZPECOOPLGBBU-SFYZADRCSA-N -1 1 353.364 0.548 20 5 FCBDMM C[C@H]1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCS1(=O)=O ZINC001590212843 1283343941 /nfs/dbraw/zinc/34/39/41/1283343941.db2.gz UIZPECOOPLGBBU-JGVFFNPUSA-N -1 1 353.364 0.548 20 5 FCBDMM C[C@H]1C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCS1(=O)=O ZINC001590212843 1283343955 /nfs/dbraw/zinc/34/39/55/1283343955.db2.gz UIZPECOOPLGBBU-JGVFFNPUSA-N -1 1 353.364 0.548 20 5 FCBDMM C[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCS1(=O)=O ZINC001590276452 1283403538 /nfs/dbraw/zinc/40/35/38/1283403538.db2.gz LHCNCEFZMKFRTH-MRVPVSSYSA-N -1 1 353.364 0.183 20 5 FCBDMM C[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCS1(=O)=O ZINC001590276452 1283403542 /nfs/dbraw/zinc/40/35/42/1283403542.db2.gz LHCNCEFZMKFRTH-MRVPVSSYSA-N -1 1 353.364 0.183 20 5 FCBDMM C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC[C@@H]1O ZINC001590312988 1283458078 /nfs/dbraw/zinc/45/80/78/1283458078.db2.gz NNJDLOAPGMOBEZ-SCZZXKLOSA-N -1 1 368.375 0.166 20 5 FCBDMM C[C@H]1CSC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590330015 1283473347 /nfs/dbraw/zinc/47/33/47/1283473347.db2.gz UUNSZPVSPLOEKZ-XVKPBYJWSA-N -1 1 370.416 0.805 20 5 FCBDMM C[C@H]1CSC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590330015 1283473351 /nfs/dbraw/zinc/47/33/51/1283473351.db2.gz UUNSZPVSPLOEKZ-XVKPBYJWSA-N -1 1 370.416 0.805 20 5 FCBDMM C[C@H]1OCC[C@]1(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590333527 1283477585 /nfs/dbraw/zinc/47/75/85/1283477585.db2.gz HNCYOXSVCYJOQT-OQPBUACISA-N -1 1 368.375 0.621 20 5 FCBDMM C[C@H]1OCC[C@]1(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590333527 1283477590 /nfs/dbraw/zinc/47/75/90/1283477590.db2.gz HNCYOXSVCYJOQT-OQPBUACISA-N -1 1 368.375 0.621 20 5 FCBDMM CC[C@H](C[C@H](C)O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001590421388 1283532073 /nfs/dbraw/zinc/53/20/73/1283532073.db2.gz IKUJEMAEMKYOEB-DTWKUNHWSA-N -1 1 370.391 0.603 20 5 FCBDMM CC[C@H](CNS(C)(=O)=O)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590445786 1283541548 /nfs/dbraw/zinc/54/15/48/1283541548.db2.gz KVYHCMYRHRCATL-MRVPVSSYSA-N -1 1 355.380 0.515 20 5 FCBDMM CC[C@H](CNS(C)(=O)=O)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590445786 1283541556 /nfs/dbraw/zinc/54/15/56/1283541556.db2.gz KVYHCMYRHRCATL-MRVPVSSYSA-N -1 1 355.380 0.515 20 5 FCBDMM CN(C)C(=O)Cc1nc(Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)cs1 ZINC001591004043 1284064662 /nfs/dbraw/zinc/06/46/62/1284064662.db2.gz OQXDAZMPGQWWMT-UHFFFAOYSA-N -1 1 363.363 0.107 20 5 FCBDMM CN(C(=O)COc1cnc(-c2nn[n-]n2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC001604641670 1287704755 /nfs/dbraw/zinc/70/47/55/1287704755.db2.gz UJHLFACVGXRTLX-UHFFFAOYSA-N -1 1 356.302 0.607 20 5 FCBDMM CNC(=O)N[C@H]1CCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001591209749 1284339023 /nfs/dbraw/zinc/33/90/23/1284339023.db2.gz HPVBHCFWRWFHTL-ZETCQYMHSA-N -1 1 352.380 0.734 20 5 FCBDMM CNC(=O)N[C@H]1CCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001591209749 1284339034 /nfs/dbraw/zinc/33/90/34/1284339034.db2.gz HPVBHCFWRWFHTL-ZETCQYMHSA-N -1 1 352.380 0.734 20 5 FCBDMM CNS(=O)(=O)C1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC001591219664 1284358983 /nfs/dbraw/zinc/35/89/83/1284358983.db2.gz WRQKEUQRHZYGOC-UHFFFAOYSA-N -1 1 367.391 0.293 20 5 FCBDMM COC[C@H]1CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001591393587 1284532649 /nfs/dbraw/zinc/53/26/49/1284532649.db2.gz DUXPZDCHTTZZRK-MRVPVSSYSA-N -1 1 354.348 0.184 20 5 FCBDMM COc1ccc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)cc1[N+](=O)[O-] ZINC001591611224 1284770744 /nfs/dbraw/zinc/77/07/44/1284770744.db2.gz SPHRPQLUPLNKSN-SSDOTTSWSA-N -1 1 359.306 0.575 20 5 FCBDMM COc1ncc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1-c1nn[n-]n1 ZINC001591662719 1284792091 /nfs/dbraw/zinc/79/20/91/1284792091.db2.gz CLAOODPDLBUJMP-UHFFFAOYSA-N -1 1 373.333 0.749 20 5 FCBDMM Cc1cc(N(C)C[C@H]2CCS(=O)(=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591996143 1285047781 /nfs/dbraw/zinc/04/77/81/1285047781.db2.gz YCPJSCZGAODWBG-SNVBAGLBSA-N -1 1 366.403 0.954 20 5 FCBDMM Cc1cc(N(C)C[C@H]2CCS(=O)(=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591996143 1285047789 /nfs/dbraw/zinc/04/77/89/1285047789.db2.gz YCPJSCZGAODWBG-SNVBAGLBSA-N -1 1 366.403 0.954 20 5 FCBDMM Cc1cc(N2CCN(C(C)(C)C(N)=O)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592007924 1285055872 /nfs/dbraw/zinc/05/58/72/1285055872.db2.gz UOLWIAHDPNUNSI-UHFFFAOYSA-N -1 1 374.405 0.469 20 5 FCBDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001592068800 1285108452 /nfs/dbraw/zinc/10/84/52/1285108452.db2.gz QLTFSZBUMWXQAL-UHFFFAOYSA-N -1 1 358.322 0.497 20 5 FCBDMM Cc1nccnc1N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001592420126 1285347394 /nfs/dbraw/zinc/34/73/94/1285347394.db2.gz QUIVXCLZPHLZTC-UHFFFAOYSA-N -1 1 368.361 0.595 20 5 FCBDMM Cc1nccnc1N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001592420126 1285347407 /nfs/dbraw/zinc/34/74/07/1285347407.db2.gz QUIVXCLZPHLZTC-UHFFFAOYSA-N -1 1 368.361 0.595 20 5 FCBDMM Cc1nn(CCC(=O)NCc2ccnc(-c3nnn[n-]3)c2)c(C)c1[N+](=O)[O-] ZINC001592436621 1285367152 /nfs/dbraw/zinc/36/71/52/1285367152.db2.gz WNOQVTBALZOQJE-UHFFFAOYSA-N -1 1 371.361 0.690 20 5 FCBDMM Cc1nn(CCC(=O)NCc2ccnc(-c3nn[n-]n3)c2)c(C)c1[N+](=O)[O-] ZINC001592436621 1285367158 /nfs/dbraw/zinc/36/71/58/1285367158.db2.gz WNOQVTBALZOQJE-UHFFFAOYSA-N -1 1 371.361 0.690 20 5 FCBDMM Cc1nn(Cc2cc(=O)n3ncc(-c4nn[n-]n4)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC001592437359 1285369639 /nfs/dbraw/zinc/36/96/39/1285369639.db2.gz DEXMVCZEFZEQRK-UHFFFAOYSA-N -1 1 356.306 0.385 20 5 FCBDMM Cc1nn(CC(=O)c2ccc([N+](=O)[O-])cc2F)c(=O)c(-c2nn[n-]n2)c1C ZINC001592438874 1285370918 /nfs/dbraw/zinc/37/09/18/1285370918.db2.gz RZYZAOGXQVQHNT-UHFFFAOYSA-N -1 1 373.304 0.970 20 5 FCBDMM Cc1nnc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc([N+](=O)[O-])ccc32)o1 ZINC001592443449 1285381120 /nfs/dbraw/zinc/38/11/20/1285381120.db2.gz GVEGIIWDHYXHAJ-UHFFFAOYSA-N -1 1 354.286 0.830 20 5 FCBDMM Cc1nsc(N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)c1-c1nnn[n-]1 ZINC001592468159 1285410172 /nfs/dbraw/zinc/41/01/72/1285410172.db2.gz DWSTUVGORMDEJH-UHFFFAOYSA-N -1 1 363.363 0.789 20 5 FCBDMM Cc1nsc(N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)c1-c1nn[n-]n1 ZINC001592468159 1285410177 /nfs/dbraw/zinc/41/01/77/1285410177.db2.gz DWSTUVGORMDEJH-UHFFFAOYSA-N -1 1 363.363 0.789 20 5 FCBDMM Cn1cccc1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001592584373 1285508921 /nfs/dbraw/zinc/50/89/21/1285508921.db2.gz PKXXOMSLXLIVBZ-UHFFFAOYSA-N -1 1 363.359 0.592 20 5 FCBDMM Cn1cccc1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001592584373 1285508929 /nfs/dbraw/zinc/50/89/29/1285508929.db2.gz PKXXOMSLXLIVBZ-UHFFFAOYSA-N -1 1 363.359 0.592 20 5 FCBDMM CCn1ncnc1Cn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001609260768 1289026253 /nfs/dbraw/zinc/02/62/53/1289026253.db2.gz QNAYCMULQUQOAM-UHFFFAOYSA-N -1 1 367.329 0.750 20 5 FCBDMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21)NC1CC1 ZINC001592935775 1285823197 /nfs/dbraw/zinc/82/31/97/1285823197.db2.gz BHEXHPSVTYVXTG-UHFFFAOYSA-N -1 1 355.314 0.368 20 5 FCBDMM CN(CCCCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001609275272 1289040303 /nfs/dbraw/zinc/04/03/03/1289040303.db2.gz RRZPLLPBDKKBJU-UHFFFAOYSA-N -1 1 356.364 0.168 20 5 FCBDMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC001593112536 1286013070 /nfs/dbraw/zinc/01/30/70/1286013070.db2.gz PCQXRVAUIRJZEQ-UHFFFAOYSA-N -1 1 363.725 0.450 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CC[C@H](O)C2)c1-c1nn[n-]n1 ZINC001593485545 1286173489 /nfs/dbraw/zinc/17/34/89/1286173489.db2.gz RBJHUHBEDUHRHE-BDAKNGLRSA-N -1 1 368.375 0.214 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC2)c1-c1nn[n-]n1 ZINC001593485363 1286174790 /nfs/dbraw/zinc/17/47/90/1286174790.db2.gz OEHVPHKWNINTMQ-DTWKUNHWSA-N -1 1 350.360 0.852 20 5 FCBDMM O=[N+]([O-])c1cccnc1N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001593486839 1286175763 /nfs/dbraw/zinc/17/57/63/1286175763.db2.gz QBLYJTXOSGYLHW-UHFFFAOYSA-N -1 1 354.334 0.287 20 5 FCBDMM O=c1cc([C@H]2CCN(c3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)[nH]c(=O)[nH]1 ZINC001593495524 1286181063 /nfs/dbraw/zinc/18/10/63/1286181063.db2.gz GVJUOLKOJXHDBI-QMMMGPOBSA-N -1 1 370.329 0.970 20 5 FCBDMM O=c1cc([C@H]2CCN(c3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)[nH]c(=O)[nH]1 ZINC001593495524 1286181064 /nfs/dbraw/zinc/18/10/64/1286181064.db2.gz GVJUOLKOJXHDBI-QMMMGPOBSA-N -1 1 370.329 0.970 20 5 FCBDMM Cc1nn(CCC(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC001600784539 1286544801 /nfs/dbraw/zinc/54/48/01/1286544801.db2.gz ONNRMYNFWGGACC-LLVKDONJSA-N -1 1 367.406 0.806 20 5 FCBDMM CS(=O)(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001605352392 1287933795 /nfs/dbraw/zinc/93/37/95/1287933795.db2.gz BKAHZDPZOKVHME-JTQLQIEISA-N -1 1 352.376 0.788 20 5 FCBDMM CS(=O)(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001605352392 1287933802 /nfs/dbraw/zinc/93/38/02/1287933802.db2.gz BKAHZDPZOKVHME-JTQLQIEISA-N -1 1 352.376 0.788 20 5 FCBDMM CS(=O)(=O)NC1CC(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001605358612 1287938209 /nfs/dbraw/zinc/93/82/09/1287938209.db2.gz XLMGGSXLTVHPOS-UHFFFAOYSA-N -1 1 353.364 0.267 20 5 FCBDMM CS(=O)(=O)NC1CC(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001605358612 1287938212 /nfs/dbraw/zinc/93/82/12/1287938212.db2.gz XLMGGSXLTVHPOS-UHFFFAOYSA-N -1 1 353.364 0.267 20 5 FCBDMM CS[C@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C1 ZINC001605380267 1287946739 /nfs/dbraw/zinc/94/67/39/1287946739.db2.gz IGGLDJIXEZRKDT-XWEPSHTISA-N -1 1 370.416 0.947 20 5 FCBDMM CS[C@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)C1 ZINC001605380267 1287946744 /nfs/dbraw/zinc/94/67/44/1287946744.db2.gz IGGLDJIXEZRKDT-XWEPSHTISA-N -1 1 370.416 0.947 20 5 FCBDMM Cc1c(-c2nn[n-]n2)c(=O)n(Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1C ZINC001605464398 1287972171 /nfs/dbraw/zinc/97/21/71/1287972171.db2.gz GFVFTHKXIYHUHJ-UHFFFAOYSA-N -1 1 361.293 0.131 20 5 FCBDMM Cc1c(-c2nn[n-]n2)c(=O)n(Cc2cccc([N+](=O)[O-])c2)c(=O)n1C1CC1 ZINC001605464328 1287972364 /nfs/dbraw/zinc/97/23/64/1287972364.db2.gz FFQGALWEBQLSDR-UHFFFAOYSA-N -1 1 369.341 0.790 20 5 FCBDMM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](C)n1cnc(-c3nn[n-]n3)n1)CC2 ZINC001605756636 1288073666 /nfs/dbraw/zinc/07/36/66/1288073666.db2.gz JDMWFJQDOPZZJN-SECBINFHSA-N -1 1 369.345 0.825 20 5 FCBDMM CC[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC001609202816 1288985563 /nfs/dbraw/zinc/98/55/63/1288985563.db2.gz PUHLJKFHWFQKQW-IUCAKERBSA-N -1 1 367.391 0.572 20 5 FCBDMM CC[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC001609202816 1288985566 /nfs/dbraw/zinc/98/55/66/1288985566.db2.gz PUHLJKFHWFQKQW-IUCAKERBSA-N -1 1 367.391 0.572 20 5 FCBDMM Nc1cc(NC[C@H]2CCCS(=O)(=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609510947 1289189961 /nfs/dbraw/zinc/18/99/61/1289189961.db2.gz PNHPKNVRNGADJT-MRVPVSSYSA-N -1 1 367.391 0.594 20 5 FCBDMM Nc1cc(NC[C@H]2CCCS(=O)(=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609510947 1289189965 /nfs/dbraw/zinc/18/99/65/1289189965.db2.gz PNHPKNVRNGADJT-MRVPVSSYSA-N -1 1 367.391 0.594 20 5 FCBDMM Nc1cc(N2CCC(OCCCO)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609510828 1289190350 /nfs/dbraw/zinc/19/03/50/1289190350.db2.gz JHYFNAJVUWDNGL-UHFFFAOYSA-N -1 1 363.378 0.725 20 5 FCBDMM Nc1cc(N2CCC(OCCCO)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609510828 1289190354 /nfs/dbraw/zinc/19/03/54/1289190354.db2.gz JHYFNAJVUWDNGL-UHFFFAOYSA-N -1 1 363.378 0.725 20 5 FCBDMM O=C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC001609588929 1289245222 /nfs/dbraw/zinc/24/52/22/1289245222.db2.gz SZAKUEYJOVKXDI-UHFFFAOYSA-N -1 1 352.332 0.129 20 5 FCBDMM O=[N+]([O-])c1ccccc1N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001609603477 1289258069 /nfs/dbraw/zinc/25/80/69/1289258069.db2.gz GUYOGOMKANPFGB-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1ccccc1N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001609603477 1289258074 /nfs/dbraw/zinc/25/80/74/1289258074.db2.gz GUYOGOMKANPFGB-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1cccc(OC[C@@H](O)COc2cccnc2-c2nnn[n-]2)c1 ZINC001609602964 1289258198 /nfs/dbraw/zinc/25/81/98/1289258198.db2.gz RNLHHJQKTGKTTB-LLVKDONJSA-N -1 1 358.314 0.989 20 5 FCBDMM O=[N+]([O-])c1cccc(OC[C@@H](O)COc2cccnc2-c2nn[n-]n2)c1 ZINC001609602964 1289258203 /nfs/dbraw/zinc/25/82/03/1289258203.db2.gz RNLHHJQKTGKTTB-LLVKDONJSA-N -1 1 358.314 0.989 20 5 FCBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCS2(=O)=O)cc1F ZINC001309501566 866820955 /nfs/dbraw/zinc/82/09/55/866820955.db2.gz OEVCEOFHQJRAND-VIFPVBQESA-N -1 1 366.392 0.898 20 5 FCBDMM Cc1onc(CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000826347234 948050341 /nfs/dbraw/zinc/05/03/41/948050341.db2.gz JSQIBOQSCHLQDG-UHFFFAOYSA-N -1 1 373.329 0.809 20 5 FCBDMM Cc1onc(CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000826347234 948050349 /nfs/dbraw/zinc/05/03/49/948050349.db2.gz JSQIBOQSCHLQDG-UHFFFAOYSA-N -1 1 373.329 0.809 20 5 FCBDMM O=C([O-])[C@H]1CC(=O)N(C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC001594898789 954596235 /nfs/dbraw/zinc/59/62/35/954596235.db2.gz QEXVPVPXEOUQTM-NSHDSACASA-N -1 1 351.363 0.189 20 5 FCBDMM CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NCCC(=O)[O-])c2)CC1 ZINC001604227629 972726320 /nfs/dbraw/zinc/72/63/20/972726320.db2.gz HPOPVLFYSLRSBR-UHFFFAOYSA-N -1 1 351.363 0.943 20 5 FCBDMM C[C@@H]1CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCN1CCO ZINC001594536495 986154250 /nfs/dbraw/zinc/15/42/50/986154250.db2.gz DDXKBAUNIXSGDB-GFCCVEGCSA-N -1 1 353.375 0.557 20 5 FCBDMM CN1C[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(=O)[O-])[C@@H]2C1 ZINC001598574564 993254937 /nfs/dbraw/zinc/25/49/37/993254937.db2.gz LAYAJZBZOOSYGQ-JOYOIKCWSA-N -1 1 355.372 0.618 20 5 FCBDMM CC[C@@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000295868196 214323196 /nfs/dbraw/zinc/32/31/96/214323196.db2.gz YPWCMVGZUPAOKG-QMMMGPOBSA-N -1 1 369.396 0.340 20 5 FCBDMM NS(=O)(=O)c1ccc(N2CCC(c3n[n-]c(=O)o3)CC2)c([N+](=O)[O-])c1 ZINC000285626599 213368368 /nfs/dbraw/zinc/36/83/68/213368368.db2.gz MZVAVWYTBWBQQB-UHFFFAOYSA-N -1 1 369.359 0.303 20 5 FCBDMM COC[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000234880555 209341528 /nfs/dbraw/zinc/34/15/28/209341528.db2.gz FGNJNIZPHYQQAK-MRVPVSSYSA-N -1 1 369.193 0.643 20 5 FCBDMM Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000276908855 212306084 /nfs/dbraw/zinc/30/60/84/212306084.db2.gz NAPKRHZIMPVYRI-NSHDSACASA-N -1 1 368.371 0.909 20 5 FCBDMM O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000373265095 217001483 /nfs/dbraw/zinc/00/14/83/217001483.db2.gz ICOGPAQVLNKWGZ-CQSZACIVSA-N -1 1 364.402 0.437 20 5 FCBDMM O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000375799214 217317364 /nfs/dbraw/zinc/31/73/64/217317364.db2.gz VFMUYQOYCHQKPX-CYBMUJFWSA-N -1 1 370.329 0.507 20 5 FCBDMM CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 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Cc1ccnc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000737437918 599040542 /nfs/dbraw/zinc/04/05/42/599040542.db2.gz UGKPOWPUFMFHFZ-UHFFFAOYSA-N -1 1 358.366 0.853 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cn1 ZINC000738371711 599404751 /nfs/dbraw/zinc/40/47/51/599404751.db2.gz XBZCYEUMBJSYDV-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cn1 ZINC000738371711 599404753 /nfs/dbraw/zinc/40/47/53/599404753.db2.gz XBZCYEUMBJSYDV-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM CS(=O)(=O)CCOCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826222990 607451753 /nfs/dbraw/zinc/45/17/53/607451753.db2.gz WZXIDJYCERSGPE-UHFFFAOYSA-N -1 1 356.364 0.248 20 5 FCBDMM CS(=O)(=O)CCOCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826222990 607451754 /nfs/dbraw/zinc/45/17/54/607451754.db2.gz WZXIDJYCERSGPE-UHFFFAOYSA-N -1 1 356.364 0.248 20 5 FCBDMM C[C@H]1CN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C(=O)[O-] ZINC000828451114 601813941 /nfs/dbraw/zinc/81/39/41/601813941.db2.gz SHIZYYFAIQMISG-GXFFZTMASA-N -1 1 362.342 0.973 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCCOC2)c1-c1nn[n-]n1 ZINC000826500379 607594709 /nfs/dbraw/zinc/59/47/09/607594709.db2.gz WOMANAGKKBXCRK-VIFPVBQESA-N -1 1 368.375 0.480 20 5 FCBDMM CC(C)[C@H](CCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824190868 607650488 /nfs/dbraw/zinc/65/04/88/607650488.db2.gz ANMUNTNMLGVUPF-VIFPVBQESA-N -1 1 370.391 0.460 20 5 FCBDMM Cn1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1 ZINC000826363647 607661599 /nfs/dbraw/zinc/66/15/99/607661599.db2.gz VZIJFINMINWBKR-UHFFFAOYSA-N -1 1 363.359 0.592 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCn2cccc2)c1-c1nn[n-]n1 ZINC000826500053 607664668 /nfs/dbraw/zinc/66/46/68/607664668.db2.gz JNBKGZKJAYAKFF-UHFFFAOYSA-N -1 1 363.359 0.555 20 5 FCBDMM CC[C@@H](O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825153102 607673793 /nfs/dbraw/zinc/67/37/93/607673793.db2.gz FKFPKWWWQBDHPC-MRVPVSSYSA-N -1 1 356.364 0.214 20 5 FCBDMM CS[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826226071 607744221 /nfs/dbraw/zinc/74/42/21/607744221.db2.gz RLFUJCWZDVRVCV-SSDOTTSWSA-N -1 1 358.405 0.805 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823118926 606650605 /nfs/dbraw/zinc/65/06/05/606650605.db2.gz VXNHLJSWTMPHNZ-UHFFFAOYSA-N -1 1 357.286 0.075 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823118926 606650606 /nfs/dbraw/zinc/65/06/06/606650606.db2.gz VXNHLJSWTMPHNZ-UHFFFAOYSA-N -1 1 357.286 0.075 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCSCC2)c1-c1nn[n-]n1 ZINC000823648633 606733741 /nfs/dbraw/zinc/73/37/41/606733741.db2.gz ZRNWEPOYIMAYEZ-UHFFFAOYSA-N -1 1 370.416 0.903 20 5 FCBDMM CN(C1CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821592782 606736723 /nfs/dbraw/zinc/73/67/23/606736723.db2.gz VELCJRDUEKKPCL-UHFFFAOYSA-N -1 1 368.375 0.574 20 5 FCBDMM Nn1c(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)nnc1C(F)(F)F ZINC000822912389 607028250 /nfs/dbraw/zinc/02/82/50/607028250.db2.gz YEXZIXFQDQXLIS-UHFFFAOYSA-N -1 1 374.268 0.645 20 5 FCBDMM Cn1cnnc1[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000822705105 607167861 /nfs/dbraw/zinc/16/78/61/607167861.db2.gz VNVPYAGZMDSANJ-VIFPVBQESA-N -1 1 356.350 0.682 20 5 FCBDMM Cn1cnnc1[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000822705105 607167862 /nfs/dbraw/zinc/16/78/62/607167862.db2.gz VNVPYAGZMDSANJ-VIFPVBQESA-N -1 1 356.350 0.682 20 5 FCBDMM CN([C@H]1CCSC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825888854 607907607 /nfs/dbraw/zinc/90/76/07/607907607.db2.gz WSKXHWNBEDXTNR-QMMMGPOBSA-N -1 1 370.416 0.901 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCC[C@H]2O)c1-c1nn[n-]n1 ZINC000826500100 607937948 /nfs/dbraw/zinc/93/79/48/607937948.db2.gz LBOJAZPCYYRAQR-PSASIEDQSA-N -1 1 368.375 0.214 20 5 FCBDMM CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(=O)OC ZINC000825148085 608054770 /nfs/dbraw/zinc/05/47/70/608054770.db2.gz NZMPJLGSWCTGGT-ZETCQYMHSA-N -1 1 370.347 0.005 20 5 FCBDMM Cc1cnc(OCc2cc(=O)n3ncc(-c4nn[n-]n4)c3[nH]2)c([N+](=O)[O-])c1 ZINC000826318997 608400907 /nfs/dbraw/zinc/40/09/07/608400907.db2.gz JSQVRDHKSLXGKD-UHFFFAOYSA-N -1 1 369.301 0.806 20 5 FCBDMM CN(C)C(=O)[C@@H]1CC[C@@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])O1 ZINC000825839601 608412119 /nfs/dbraw/zinc/41/21/19/608412119.db2.gz KILNNWLWCZSEMP-WPRPVWTQSA-N -1 1 362.350 0.218 20 5 FCBDMM CN(C)C(=O)[C@@H]1CC[C@@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])O1 ZINC000825839601 608412121 /nfs/dbraw/zinc/41/21/21/608412121.db2.gz KILNNWLWCZSEMP-WPRPVWTQSA-N -1 1 362.350 0.218 20 5 FCBDMM C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000824891955 608756725 /nfs/dbraw/zinc/75/67/25/608756725.db2.gz CWRUAQUVSXHIAQ-BDAKNGLRSA-N -1 1 368.375 0.621 20 5 FCBDMM C[C@H](O)[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824686888 609582583 /nfs/dbraw/zinc/58/25/83/609582583.db2.gz CYDHXGQBBXSFJM-DTWKUNHWSA-N -1 1 368.375 0.166 20 5 FCBDMM NC(=O)c1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1 ZINC000754034251 667580398 /nfs/dbraw/zinc/58/03/98/667580398.db2.gz DGIRTMQFJNTWQO-UHFFFAOYSA-N -1 1 354.319 0.706 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](C)CC2(C)OCCO2)c([N+](=O)[O-])n1 ZINC000754804981 667611566 /nfs/dbraw/zinc/61/15/66/667611566.db2.gz JNATVSTXXSXXKH-SNVBAGLBSA-N -1 1 362.408 0.879 20 5 FCBDMM NC(=O)NC(=O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000765207308 668002336 /nfs/dbraw/zinc/00/23/36/668002336.db2.gz FENBTQIOEWPFKQ-UHFFFAOYSA-N -1 1 350.740 0.112 20 5 FCBDMM O=C(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])NCc1ccccc1 ZINC000742276580 668031357 /nfs/dbraw/zinc/03/13/57/668031357.db2.gz FXCHCJKQKLRDKJ-UHFFFAOYSA-N -1 1 350.356 0.585 20 5 FCBDMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000776437826 668261768 /nfs/dbraw/zinc/26/17/68/668261768.db2.gz MWFSQNHANGEDHC-VIFPVBQESA-N -1 1 374.762 0.946 20 5 FCBDMM O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCSC[C@H]1c1nn[n-]n1 ZINC000776563679 668272157 /nfs/dbraw/zinc/27/21/57/668272157.db2.gz JCGNTOFUEPBLBJ-JTQLQIEISA-N -1 1 360.359 0.915 20 5 FCBDMM CN1C(=O)CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1=O ZINC000819912629 669039246 /nfs/dbraw/zinc/03/92/46/669039246.db2.gz VWIOPQMMGVMYSX-QMMMGPOBSA-N -1 1 361.763 0.674 20 5 FCBDMM COCCNC(=O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809806975 669640291 /nfs/dbraw/zinc/64/02/91/669640291.db2.gz WYAQDPSDAKPXEY-UHFFFAOYSA-N -1 1 369.758 0.428 20 5 FCBDMM COC(=O)[C@@H](NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)C ZINC000811153874 669737135 /nfs/dbraw/zinc/73/71/35/669737135.db2.gz VJEHDOSIEKCMRK-ZDUSSCGKSA-N -1 1 354.315 0.771 20 5 FCBDMM COCCNC(=O)C1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000841552212 670591538 /nfs/dbraw/zinc/59/15/38/670591538.db2.gz LCNUFMOYBCQUSP-UHFFFAOYSA-N -1 1 361.351 0.307 20 5 FCBDMM C[C@@](O)(CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)[O-] ZINC000841782761 670610075 /nfs/dbraw/zinc/61/00/75/670610075.db2.gz DEWOGILTAOGWBC-SNVBAGLBSA-N -1 1 356.715 0.501 20 5 FCBDMM CON(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000859402470 671823030 /nfs/dbraw/zinc/82/30/30/671823030.db2.gz DPMDOTDCRYIOJL-ZETCQYMHSA-N -1 1 351.768 0.935 20 5 FCBDMM CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770731935 1200485258 /nfs/dbraw/zinc/48/52/58/1200485258.db2.gz LKGMDCQLINKJNH-UHFFFAOYSA-N -1 1 370.362 0.655 20 5 FCBDMM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1cccc(-c2nnc[nH]2)c1 ZINC000793166989 1201228931 /nfs/dbraw/zinc/22/89/31/1201228931.db2.gz PQBBSRFGRNPTHM-UHFFFAOYSA-N -1 1 374.338 0.894 20 5 FCBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000780068728 1218165024 /nfs/dbraw/zinc/16/50/24/1218165024.db2.gz NNDDMRCGYKXLLN-NXEZZACHSA-N -1 1 365.342 0.570 20 5 FCBDMM CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@@H]1COCC12OCCO2 ZINC000839799124 1245326572 /nfs/dbraw/zinc/32/65/72/1245326572.db2.gz NRVCHTCFOOBMCM-LBPRGKRZSA-N -1 1 367.358 0.841 20 5 FCBDMM CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@H]1COCC12OCCO2 ZINC000839799121 1245326680 /nfs/dbraw/zinc/32/66/80/1245326680.db2.gz NRVCHTCFOOBMCM-GFCCVEGCSA-N -1 1 367.358 0.841 20 5 FCBDMM C[C@@H]1CC[C@H](O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001580315746 1278115846 /nfs/dbraw/zinc/11/58/46/1278115846.db2.gz IURWWUTXXCCFPG-BDAKNGLRSA-N -1 1 368.375 0.309 20 5 FCBDMM C[C@@H](O)C(C)(C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001575475551 1272145068 /nfs/dbraw/zinc/14/50/68/1272145068.db2.gz WMJZRZPEUACCSR-MRVPVSSYSA-N -1 1 370.391 0.460 20 5 FCBDMM C[C@@H](O)C(C)(C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001575475551 1272145071 /nfs/dbraw/zinc/14/50/71/1272145071.db2.gz WMJZRZPEUACCSR-MRVPVSSYSA-N -1 1 370.391 0.460 20 5 FCBDMM CC(C)OC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C1 ZINC001603347189 1287359174 /nfs/dbraw/zinc/35/91/74/1287359174.db2.gz KVKHLZXIFJDSDE-UHFFFAOYSA-N -1 1 368.375 0.573 20 5 FCBDMM CC(C)OC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)C1 ZINC001603347189 1287359180 /nfs/dbraw/zinc/35/91/80/1287359180.db2.gz KVKHLZXIFJDSDE-UHFFFAOYSA-N -1 1 368.375 0.573 20 5 FCBDMM C[C@@](NC(=O)C1CN([C@@H]2CCOC2)C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604270062 1287596365 /nfs/dbraw/zinc/59/63/65/1287596365.db2.gz YDHPBURLCABNIE-PBHICJAKSA-N -1 1 363.370 0.732 20 5 FCBDMM CC1(C)[C@@H](O)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001590076776 1283204955 /nfs/dbraw/zinc/20/49/55/1283204955.db2.gz GQMMASOHZCTEDT-JTQLQIEISA-N -1 1 368.375 0.309 20 5 FCBDMM CC1(C)CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCS1(=O)=O ZINC001590105645 1283219078 /nfs/dbraw/zinc/21/90/78/1283219078.db2.gz FSXBOXIXWJBKKV-UHFFFAOYSA-N -1 1 352.376 0.788 20 5 FCBDMM C[C@@]1([C@@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)COC(=O)N1 ZINC001590120436 1283228935 /nfs/dbraw/zinc/22/89/35/1283228935.db2.gz OFBQCVQUQDXZOA-PSLIRLAXSA-N -1 1 374.361 0.885 20 5 FCBDMM C[C@@]1([C@@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)COC(=O)N1 ZINC001590120436 1283228942 /nfs/dbraw/zinc/22/89/42/1283228942.db2.gz OFBQCVQUQDXZOA-PSLIRLAXSA-N -1 1 374.361 0.885 20 5 FCBDMM C[C@]1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CCOC1 ZINC001590148834 1283247233 /nfs/dbraw/zinc/24/72/33/1283247233.db2.gz VEXNWVXNBZMHNK-LBPRGKRZSA-N -1 1 354.348 0.232 20 5 FCBDMM C[C@]1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CCOC1 ZINC001590148834 1283247235 /nfs/dbraw/zinc/24/72/35/1283247235.db2.gz VEXNWVXNBZMHNK-LBPRGKRZSA-N -1 1 354.348 0.232 20 5 FCBDMM CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001591147386 1284218195 /nfs/dbraw/zinc/21/81/95/1284218195.db2.gz IARINPXJFUBREP-UHFFFAOYSA-N -1 1 372.349 0.208 20 5 FCBDMM COC(=O)[C@H](O)C1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC001591237789 1284384603 /nfs/dbraw/zinc/38/46/03/1284384603.db2.gz RIXBOPHRFKBKIE-CYBMUJFWSA-N -1 1 362.346 0.525 20 5 FCBDMM COC(=O)[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H]1C1CC1 ZINC001591278294 1284435771 /nfs/dbraw/zinc/43/57/71/1284435771.db2.gz DVABCFBECRZECC-NWDGAFQWSA-N -1 1 373.373 0.993 20 5 FCBDMM COC(=O)[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@H]1C1CC1 ZINC001591278294 1284435774 /nfs/dbraw/zinc/43/57/74/1284435774.db2.gz DVABCFBECRZECC-NWDGAFQWSA-N -1 1 373.373 0.993 20 5 FCBDMM CS(=O)(=O)[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001591672858 1284804648 /nfs/dbraw/zinc/80/46/48/1284804648.db2.gz FRUNQUAYNKAQEG-VIFPVBQESA-N -1 1 367.391 0.573 20 5 FCBDMM CS(=O)(=O)[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001591672858 1284804653 /nfs/dbraw/zinc/80/46/53/1284804653.db2.gz FRUNQUAYNKAQEG-VIFPVBQESA-N -1 1 367.391 0.573 20 5 FCBDMM Cc1cc(NCCCNS(C)(=O)=O)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592048085 1285091880 /nfs/dbraw/zinc/09/18/80/1285091880.db2.gz WLELZKTTWLLEAY-UHFFFAOYSA-N -1 1 355.380 0.435 20 5 FCBDMM Cc1cc(NCCCNS(C)(=O)=O)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592048085 1285091883 /nfs/dbraw/zinc/09/18/83/1285091883.db2.gz WLELZKTTWLLEAY-UHFFFAOYSA-N -1 1 355.380 0.435 20 5 FCBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cnc(-c2nn[n-]n2)cc1=O ZINC001592198141 1285179776 /nfs/dbraw/zinc/17/97/76/1285179776.db2.gz YWSDRDALGKQSEJ-UHFFFAOYSA-N -1 1 356.302 0.279 20 5 FCBDMM Cn1c(CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)nnc1C1CC1 ZINC001592552627 1285464189 /nfs/dbraw/zinc/46/41/89/1285464189.db2.gz JXOHBCCPHKUALT-UHFFFAOYSA-N -1 1 356.350 0.975 20 5 FCBDMM Cn1c(CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)nnc1C1CC1 ZINC001592552627 1285464197 /nfs/dbraw/zinc/46/41/97/1285464197.db2.gz JXOHBCCPHKUALT-UHFFFAOYSA-N -1 1 356.350 0.975 20 5 FCBDMM Cn1nccc1[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001592605427 1285545566 /nfs/dbraw/zinc/54/55/66/1285545566.db2.gz JIINTIZJIIODBL-LLVKDONJSA-N -1 1 357.334 0.481 20 5 FCBDMM Cn1nccc1[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001592605427 1285545572 /nfs/dbraw/zinc/54/55/72/1285545572.db2.gz JIINTIZJIIODBL-LLVKDONJSA-N -1 1 357.334 0.481 20 5 FCBDMM Nc1nsc(N2CCN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)CC2)n1 ZINC001592766012 1285686100 /nfs/dbraw/zinc/68/61/00/1285686100.db2.gz XPTQLRIKIWRFLC-UHFFFAOYSA-N -1 1 374.390 0.535 20 5 FCBDMM Nc1nsc(N2CCN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)CC2)n1 ZINC001592766012 1285686108 /nfs/dbraw/zinc/68/61/08/1285686108.db2.gz XPTQLRIKIWRFLC-UHFFFAOYSA-N -1 1 374.390 0.535 20 5 FCBDMM O=C(Cn1cc([N-]c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])cn1)NC1CC1 ZINC001592937461 1285826035 /nfs/dbraw/zinc/82/60/35/1285826035.db2.gz CFUDRFFEVFPOSL-UHFFFAOYSA-N -1 1 370.333 0.389 20 5 FCBDMM O=C(NCCn1cc([N+](=O)[O-])cn1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001593107475 1286006691 /nfs/dbraw/zinc/00/66/91/1286006691.db2.gz KOGQYEKDFKHGAS-UHFFFAOYSA-N -1 1 363.363 0.532 20 5 FCBDMM O=C1NC(=O)[C@@]2(CCC[C@H]2CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])N1 ZINC001593401102 1286121093 /nfs/dbraw/zinc/12/10/93/1286121093.db2.gz GNYCTQCEDLGQKZ-AYVTZFPOSA-N -1 1 372.345 0.565 20 5 FCBDMM O=C1NC(=O)[C@@]2(CCC[C@H]2CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])N1 ZINC001593401102 1286121096 /nfs/dbraw/zinc/12/10/96/1286121096.db2.gz GNYCTQCEDLGQKZ-AYVTZFPOSA-N -1 1 372.345 0.565 20 5 FCBDMM O=C1OCC[C@H]1N1CCC(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001593415384 1286138944 /nfs/dbraw/zinc/13/89/44/1286138944.db2.gz ZMDQPXIWFWQACQ-CYBMUJFWSA-N -1 1 373.373 0.967 20 5 FCBDMM O=C1OCC[C@@H]2CN(c3cc(-c4nnn[n-]4)sc3[N+](=O)[O-])CCN12 ZINC001593414952 1286139205 /nfs/dbraw/zinc/13/92/05/1286139205.db2.gz QDETYQINPIXFNV-SSDOTTSWSA-N -1 1 351.348 0.867 20 5 FCBDMM O=C1OCC[C@@H]2CN(c3cc(-c4nn[n-]n4)sc3[N+](=O)[O-])CCN12 ZINC001593414952 1286139207 /nfs/dbraw/zinc/13/92/07/1286139207.db2.gz QDETYQINPIXFNV-SSDOTTSWSA-N -1 1 351.348 0.867 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCN(c2nccnn2)CC1 ZINC001593466600 1286170496 /nfs/dbraw/zinc/17/04/96/1286170496.db2.gz UJEYNCSWTKBXCU-UHFFFAOYSA-N -1 1 354.334 0.287 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCN(c2nccnn2)CC1 ZINC001593466600 1286170500 /nfs/dbraw/zinc/17/05/00/1286170500.db2.gz UJEYNCSWTKBXCU-UHFFFAOYSA-N -1 1 354.334 0.287 20 5 FCBDMM O=[N+]([O-])c1c(NC/C=C/CO)cc(NC/C=C\CO)cc1-c1nnn[n-]1 ZINC001593466068 1286171042 /nfs/dbraw/zinc/17/10/42/1286171042.db2.gz VVTKGVRHQHRSPW-HSFFGMMNSA-N -1 1 361.362 0.696 20 5 FCBDMM O=[N+]([O-])c1c(NC/C=C/CO)cc(NC/C=C\CO)cc1-c1nn[n-]n1 ZINC001593466068 1286171045 /nfs/dbraw/zinc/17/10/45/1286171045.db2.gz VVTKGVRHQHRSPW-HSFFGMMNSA-N -1 1 361.362 0.696 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CC[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001593485546 1286174407 /nfs/dbraw/zinc/17/44/07/1286174407.db2.gz RBJHUHBEDUHRHE-DTWKUNHWSA-N -1 1 368.375 0.214 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCC[C@H](O)C2CC2)c1-c1nn[n-]n1 ZINC001593485165 1286174838 /nfs/dbraw/zinc/17/48/38/1286174838.db2.gz KWGYURXWVWACGN-JTQLQIEISA-N -1 1 368.375 0.214 20 5 FCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)Oc1ccc(F)nc1-c1nn[n-]n1 ZINC001593487168 1286176144 /nfs/dbraw/zinc/17/61/44/1286176144.db2.gz DJSRSTKWEPHITQ-UHFFFAOYSA-N -1 1 367.278 0.472 20 5 FCBDMM O=c1cc(N2CC[C@@H](Nc3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)nc[nH]1 ZINC001593495521 1286181453 /nfs/dbraw/zinc/18/14/53/1286181453.db2.gz GSGRYGNWVMEDQS-SECBINFHSA-N -1 1 369.345 0.961 20 5 FCBDMM O=C([O-])[C@H](NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001601667507 1286804616 /nfs/dbraw/zinc/80/46/16/1286804616.db2.gz AJCFEDOIFQJNPX-MRXNPFEDSA-N -1 1 362.386 0.696 20 5 FCBDMM O=C([O-])CCNC(=O)CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001602019333 1286902576 /nfs/dbraw/zinc/90/25/76/1286902576.db2.gz JGAGWWKAQQGRBY-UHFFFAOYSA-N -1 1 353.331 0.437 20 5 FCBDMM CS(=O)(=O)N1CC[C@@H](CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001609367206 1289123141 /nfs/dbraw/zinc/12/31/41/1289123141.db2.gz NSLGDUQJMCZASS-VIFPVBQESA-N -1 1 367.391 0.468 20 5 FCBDMM CS(=O)(=O)N1CC[C@@H](CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001609367206 1289123145 /nfs/dbraw/zinc/12/31/45/1289123145.db2.gz NSLGDUQJMCZASS-VIFPVBQESA-N -1 1 367.391 0.468 20 5 FCBDMM CNS(=O)(=O)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001604894858 1287810148 /nfs/dbraw/zinc/81/01/48/1287810148.db2.gz TWHWCHTUVSQYFM-SNVBAGLBSA-N -1 1 367.391 0.293 20 5 FCBDMM COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCn1cnc(-c2nn[n-]n2)n1 ZINC001604967136 1287823441 /nfs/dbraw/zinc/82/34/41/1287823441.db2.gz AJTOKSVUFXEDOS-UHFFFAOYSA-N -1 1 373.333 0.574 20 5 FCBDMM CO[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1)C(C)C ZINC001605009141 1287835190 /nfs/dbraw/zinc/83/51/90/1287835190.db2.gz PHNNVCIQXALVLO-LLVKDONJSA-N -1 1 370.391 0.724 20 5 FCBDMM CO[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1)C(C)C ZINC001605009141 1287835194 /nfs/dbraw/zinc/83/51/94/1287835194.db2.gz PHNNVCIQXALVLO-LLVKDONJSA-N -1 1 370.391 0.724 20 5 FCBDMM CS(=O)(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001605357576 1287937614 /nfs/dbraw/zinc/93/76/14/1287937614.db2.gz QZVHADMLODQHHA-SECBINFHSA-N -1 1 353.364 0.221 20 5 FCBDMM CN1CCN(CCN(CC(=O)[O-])C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001606242076 1288229887 /nfs/dbraw/zinc/22/98/87/1288229887.db2.gz ZQCGKYQTEWFOLB-UHFFFAOYSA-N -1 1 350.375 0.369 20 5 FCBDMM Nc1cc(N2CCC[C@H](C(=O)NC3CC3)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606450702 1288324180 /nfs/dbraw/zinc/32/41/80/1288324180.db2.gz CEESERTZCWWVPK-VIFPVBQESA-N -1 1 372.389 0.852 20 5 FCBDMM Nc1cc(N2CCC[C@H](C(=O)NC3CC3)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606450702 1288324185 /nfs/dbraw/zinc/32/41/85/1288324185.db2.gz CEESERTZCWWVPK-VIFPVBQESA-N -1 1 372.389 0.852 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)NCCOc1ccccc1 ZINC001606616210 1288410699 /nfs/dbraw/zinc/41/06/99/1288410699.db2.gz LNYJYLMLNRDDOM-UHFFFAOYSA-N -1 1 358.318 0.167 20 5 FCBDMM O=C(N[C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001606695287 1288450583 /nfs/dbraw/zinc/45/05/83/1288450583.db2.gz ZFHBXEMMKWLWCO-LBPRGKRZSA-N -1 1 367.325 0.773 20 5 FCBDMM O=C1NCC[C@@H]1CCn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001607052927 1288622723 /nfs/dbraw/zinc/62/27/23/1288622723.db2.gz WJZMIOJKJVYXDL-SECBINFHSA-N -1 1 369.341 0.616 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@H](N2CCOCC2)C1 ZINC001607077546 1288650183 /nfs/dbraw/zinc/65/01/83/1288650183.db2.gz YCMQCIJHUPQWRM-NSHDSACASA-N -1 1 360.378 0.471 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H](N2CCOCC2)C1 ZINC001607077509 1288650239 /nfs/dbraw/zinc/65/02/39/1288650239.db2.gz YCMQCIJHUPQWRM-LLVKDONJSA-N -1 1 360.378 0.471 20 5 FCBDMM O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001607083329 1288652070 /nfs/dbraw/zinc/65/20/70/1288652070.db2.gz CBSRTVIJJCRPGU-ZIAGYGMSSA-N -1 1 357.330 0.098 20 5 FCBDMM O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001607083329 1288652073 /nfs/dbraw/zinc/65/20/73/1288652073.db2.gz CBSRTVIJJCRPGU-ZIAGYGMSSA-N -1 1 357.330 0.098 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]3C[C@@H]3C2)c1-c1nn[n-]n1 ZINC001607084459 1288652353 /nfs/dbraw/zinc/65/23/53/1288652353.db2.gz HRAICOAKFLURNI-RKDXNWHRSA-N -1 1 350.360 0.805 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2ccoc2)c1-c1nn[n-]n1 ZINC001607085395 1288653840 /nfs/dbraw/zinc/65/38/40/1288653840.db2.gz SECKPDCZTUEGAU-UHFFFAOYSA-N -1 1 364.343 0.889 20 5 FCBDMM Cc1c(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607536088 1288726298 /nfs/dbraw/zinc/72/62/98/1288726298.db2.gz CFJXOEAXCAQTBI-LLVKDONJSA-N -1 1 364.358 0.750 20 5 FCBDMM Cc1c(NC(=O)C(=O)N[C@@H]2CCCN(C)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607536088 1288726304 /nfs/dbraw/zinc/72/63/04/1288726304.db2.gz CFJXOEAXCAQTBI-LLVKDONJSA-N -1 1 364.358 0.750 20 5 FCBDMM Cn1c(=O)cc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)n(C)c1=O ZINC001608100797 1288768101 /nfs/dbraw/zinc/76/81/01/1288768101.db2.gz AUCZXUGCMPNHCD-INIZCTEOSA-N -1 1 362.342 0.082 20 5 FCBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@@H](C)S1(=O)=O ZINC001609175772 1288969115 /nfs/dbraw/zinc/96/91/15/1288969115.db2.gz XTJFJDBYLPOKIO-RKDXNWHRSA-N -1 1 352.376 0.787 20 5 FCBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@@H](C)S1(=O)=O ZINC001609175772 1288969119 /nfs/dbraw/zinc/96/91/19/1288969119.db2.gz XTJFJDBYLPOKIO-RKDXNWHRSA-N -1 1 352.376 0.787 20 5 FCBDMM CC[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC001609202817 1288985338 /nfs/dbraw/zinc/98/53/38/1288985338.db2.gz PUHLJKFHWFQKQW-RKDXNWHRSA-N -1 1 367.391 0.572 20 5 FCBDMM CC[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC001609202817 1288985345 /nfs/dbraw/zinc/98/53/45/1288985345.db2.gz PUHLJKFHWFQKQW-RKDXNWHRSA-N -1 1 367.391 0.572 20 5 FCBDMM Nc1cc(NCC(=O)NCC(F)(F)F)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609510990 1289190411 /nfs/dbraw/zinc/19/04/11/1289190411.db2.gz RBBHWVYZSHERAK-UHFFFAOYSA-N -1 1 360.256 0.448 20 5 FCBDMM Nc1cc(NCC(=O)NCC(F)(F)F)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609510990 1289190413 /nfs/dbraw/zinc/19/04/13/1289190413.db2.gz RBBHWVYZSHERAK-UHFFFAOYSA-N -1 1 360.256 0.448 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609537532 1289204237 /nfs/dbraw/zinc/20/42/37/1289204237.db2.gz AFQFZNHEZSYLQO-UHFFFAOYSA-N -1 1 355.727 0.720 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]2C2CC2)c1-c1nn[n-]n1 ZINC001609602889 1289258760 /nfs/dbraw/zinc/25/87/60/1289258760.db2.gz NCSKRBKNODRDOR-VIFPVBQESA-N -1 1 350.360 0.948 20 5 FCBDMM CSc1nc(C)c(CCC(=O)OCCn2cnc([N+](=O)[O-])n2)c(=O)[n-]1 ZINC000749079514 836342104 /nfs/dbraw/zinc/34/21/04/836342104.db2.gz DHINTEMTQYAGKX-UHFFFAOYSA-N -1 1 368.375 0.888 20 5 FCBDMM COC[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC001155069669 849827883 /nfs/dbraw/zinc/82/78/83/849827883.db2.gz QJYUVEYRXWGPGZ-VIFPVBQESA-N -1 1 358.717 0.947 20 5 FCBDMM COC(=O)[C@@H]1C[C@@H]2C[C@H]([N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])[C@@H]2C1 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WBKJPRUCBIRWKO-UHFFFAOYSA-N -1 1 353.360 0.794 20 5 FCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000580349753 491727527 /nfs/dbraw/zinc/72/75/27/491727527.db2.gz QQUFIQVKDHVGLL-ZDUSSCGKSA-N -1 1 371.415 0.836 20 5 FCBDMM COC(=O)c1ccnc([N-]c2cnn(CC(=O)NC3CC3)c2)c1[N+](=O)[O-] ZINC000590574624 491779928 /nfs/dbraw/zinc/77/99/28/491779928.db2.gz NVAOKOCPAUXXGV-UHFFFAOYSA-N -1 1 360.330 0.995 20 5 FCBDMM C[C@@H](c1ccccc1)[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000600657078 491872647 /nfs/dbraw/zinc/87/26/47/491872647.db2.gz HSFCSWWGLFSUBH-CABZTGNLSA-N -1 1 368.371 0.864 20 5 FCBDMM CC(C)(C)N1C[C@@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1=O ZINC000595361667 491923581 /nfs/dbraw/zinc/92/35/81/491923581.db2.gz YXRPEWNPGYKTRR-SNVBAGLBSA-N -1 1 356.404 0.915 20 5 FCBDMM CC[C@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[nH]1 ZINC000599294160 492156285 /nfs/dbraw/zinc/15/62/85/492156285.db2.gz AXNZTRSNQYKAOW-YUMQZZPRSA-N -1 1 357.396 0.999 20 5 FCBDMM O=C(NCCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cccc(O)c1 ZINC000608839510 492193768 /nfs/dbraw/zinc/19/37/68/492193768.db2.gz NFUFCBOOZSTQAH-UHFFFAOYSA-N -1 1 360.326 0.951 20 5 FCBDMM O=C(Nc1nnn[n-]1)c1ccc([N+](=O)[O-])cc1I ZINC000609836204 492224026 /nfs/dbraw/zinc/22/40/26/492224026.db2.gz UEVFQAFSNWMCAC-UHFFFAOYSA-N -1 1 360.071 0.965 20 5 FCBDMM O=C(Nc1nn[n-]n1)c1ccc([N+](=O)[O-])cc1I ZINC000609836204 492224027 /nfs/dbraw/zinc/22/40/27/492224027.db2.gz UEVFQAFSNWMCAC-UHFFFAOYSA-N -1 1 360.071 0.965 20 5 FCBDMM COCCN(C[C@H](O)C(F)(F)F)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000594423052 546998575 /nfs/dbraw/zinc/99/85/75/546998575.db2.gz PTWGTLSAHWEVGC-VIFPVBQESA-N -1 1 353.253 0.707 20 5 FCBDMM Cc1cc(N2CCN(C(=O)CN(C)C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891108 601545497 /nfs/dbraw/zinc/54/54/97/601545497.db2.gz LUIFALLIGCXFEW-UHFFFAOYSA-N -1 1 350.375 0.812 20 5 FCBDMM C[C@@H]1CN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828451119 601814201 /nfs/dbraw/zinc/81/42/01/601814201.db2.gz SHIZYYFAIQMISG-MFKMUULPSA-N -1 1 362.342 0.973 20 5 FCBDMM O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826483432 607541588 /nfs/dbraw/zinc/54/15/88/607541588.db2.gz NMAFVGILZDRECF-UHFFFAOYSA-N -1 1 351.282 0.966 20 5 FCBDMM O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826483432 607541590 /nfs/dbraw/zinc/54/15/90/607541590.db2.gz NMAFVGILZDRECF-UHFFFAOYSA-N -1 1 351.282 0.966 20 5 FCBDMM COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1-c1nn[nH]n1 ZINC000826200655 607635404 /nfs/dbraw/zinc/63/54/04/607635404.db2.gz BKEXTUNHCNKXPC-UHFFFAOYSA-N -1 1 371.313 0.814 20 5 FCBDMM C[C@@H](CO)[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824436222 607641534 /nfs/dbraw/zinc/64/15/34/607641534.db2.gz QPVUBPSJXSVGPW-YUMQZZPRSA-N -1 1 356.364 0.070 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]32)c1-c1nn[n-]n1 ZINC000826499979 607674705 /nfs/dbraw/zinc/67/47/05/607674705.db2.gz HDTMQNRBBZGCKD-DTWKUNHWSA-N -1 1 350.360 0.948 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H](Cn2ccnn2)C1 ZINC000826497392 607732244 /nfs/dbraw/zinc/73/22/44/607732244.db2.gz FWQXXNOYAIDCAR-JTQLQIEISA-N -1 1 356.350 0.678 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@H](Cn2ccnn2)C1 ZINC000826497392 607732245 /nfs/dbraw/zinc/73/22/45/607732245.db2.gz FWQXXNOYAIDCAR-JTQLQIEISA-N -1 1 356.350 0.678 20 5 FCBDMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000833767554 605126059 /nfs/dbraw/zinc/12/60/59/605126059.db2.gz HBUQRTQBKYGZAP-GXTWGEPZSA-N -1 1 373.325 0.623 20 5 FCBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000833621921 605160559 /nfs/dbraw/zinc/16/05/59/605160559.db2.gz OVRJAAWDQNAKFP-LLVKDONJSA-N -1 1 353.379 0.534 20 5 FCBDMM CS(=O)(=O)N1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000821932353 606645034 /nfs/dbraw/zinc/64/50/34/606645034.db2.gz KVTRHQWEMNVQAA-UHFFFAOYSA-N -1 1 367.391 0.247 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@@H](Cn2cccn2)C1 ZINC000823619970 606708671 /nfs/dbraw/zinc/70/86/71/606708671.db2.gz DMYRLKPVQWFOOJ-SNVBAGLBSA-N -1 1 357.334 0.272 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@@H](Cn2cccn2)C1 ZINC000823619970 606708673 /nfs/dbraw/zinc/70/86/73/606708673.db2.gz DMYRLKPVQWFOOJ-SNVBAGLBSA-N -1 1 357.334 0.272 20 5 FCBDMM CO[C@H](C)c1noc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC000821674963 606715468 /nfs/dbraw/zinc/71/54/68/606715468.db2.gz AFBDFXNKIIDUND-SSDOTTSWSA-N -1 1 361.322 0.897 20 5 FCBDMM CO[C@H](C)c1noc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC000821674963 606715469 /nfs/dbraw/zinc/71/54/69/606715469.db2.gz AFBDFXNKIIDUND-SSDOTTSWSA-N -1 1 361.322 0.897 20 5 FCBDMM C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000820766863 606730289 /nfs/dbraw/zinc/73/02/89/606730289.db2.gz DIESDIYSZJQRKI-QMMMGPOBSA-N -1 1 354.348 0.184 20 5 FCBDMM CN([C@H]1CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821592867 606734821 /nfs/dbraw/zinc/73/48/21/606734821.db2.gz ZGMMNURYWLAKPR-QMMMGPOBSA-N -1 1 354.348 0.184 20 5 FCBDMM COC[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000821684454 606735108 /nfs/dbraw/zinc/73/51/08/606735108.db2.gz AHCBGAFYWDMRPT-SECBINFHSA-N -1 1 368.375 0.432 20 5 FCBDMM O=c1c([N+](=O)[O-])cn(-c2ccc(Cl)c(-c3nnn[n-]3)n2)cc1[N+](=O)[O-] ZINC000823656804 607042458 /nfs/dbraw/zinc/04/24/58/607042458.db2.gz JBMKJLRTEMZGSM-UHFFFAOYSA-N -1 1 364.665 0.882 20 5 FCBDMM O=c1c([N+](=O)[O-])cn(-c2ccc(Cl)c(-c3nn[n-]n3)n2)cc1[N+](=O)[O-] ZINC000823656804 607042459 /nfs/dbraw/zinc/04/24/59/607042459.db2.gz JBMKJLRTEMZGSM-UHFFFAOYSA-N -1 1 364.665 0.882 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(c2ccccn2)CC1 ZINC000823621173 607162262 /nfs/dbraw/zinc/16/22/62/607162262.db2.gz XZHKEOZDOHTUHF-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(c2ccccn2)CC1 ZINC000823621173 607162263 /nfs/dbraw/zinc/16/22/63/607162263.db2.gz XZHKEOZDOHTUHF-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820120618 607210013 /nfs/dbraw/zinc/21/00/13/607210013.db2.gz GHPGGTOVBQZGGX-UHFFFAOYSA-N -1 1 371.361 0.804 20 5 FCBDMM C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825019578 608111624 /nfs/dbraw/zinc/11/16/24/608111624.db2.gz FLWKNCJFSZFWMR-JGVFFNPUSA-N -1 1 354.348 0.231 20 5 FCBDMM CN(CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])S(C)(=O)=O ZINC000918194048 667106213 /nfs/dbraw/zinc/10/62/13/667106213.db2.gz QXYKDOUAWQEFIL-UHFFFAOYSA-N -1 1 369.396 0.294 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C2CCN(C(=O)OC)CC2)c([N+](=O)[O-])n1 ZINC000754791261 667610665 /nfs/dbraw/zinc/61/06/65/667610665.db2.gz BWJKSZQUUQPROE-UHFFFAOYSA-N -1 1 361.380 0.320 20 5 FCBDMM Cn1[n-]c(COC(=O)c2cc([N+](=O)[O-])ccc2SCCO)nc1=O ZINC000765498255 668008587 /nfs/dbraw/zinc/00/85/87/668008587.db2.gz TYJVAHQGDYGHEB-UHFFFAOYSA-N -1 1 354.344 0.458 20 5 FCBDMM CCOC(CC[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])OCC ZINC000786896667 668780828 /nfs/dbraw/zinc/78/08/28/668780828.db2.gz BUGLRWOSNITZDD-UHFFFAOYSA-N -1 1 350.397 0.879 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C(C)(C)C(=O)N2CCCC2)c([N+](=O)[O-])n1 ZINC000795371748 669029225 /nfs/dbraw/zinc/02/92/25/669029225.db2.gz SEPHNXKQEYMDIR-UHFFFAOYSA-N -1 1 359.408 0.491 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCCCCCO)c1-c1nn[n-]n1 ZINC000826500380 669496714 /nfs/dbraw/zinc/49/67/14/669496714.db2.gz WOSLRUOJNPMUQK-UHFFFAOYSA-N -1 1 370.391 0.606 20 5 FCBDMM CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809831018 669642362 /nfs/dbraw/zinc/64/23/62/669642362.db2.gz MZSQCZQHDLUOSS-SSDOTTSWSA-N -1 1 372.186 0.287 20 5 FCBDMM O=c1nc(CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[n-]o1 ZINC000810075071 669662274 /nfs/dbraw/zinc/66/22/74/669662274.db2.gz FZJPGMMJVWAUDG-UHFFFAOYSA-N -1 1 366.714 0.585 20 5 FCBDMM CSc1ccc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cc1[N+](=O)[O-] ZINC000816492218 669961608 /nfs/dbraw/zinc/96/16/08/669961608.db2.gz LPURHAIGIXICIT-UHFFFAOYSA-N -1 1 364.387 0.954 20 5 FCBDMM C[C@](O)(CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)[O-] ZINC000841782760 670609853 /nfs/dbraw/zinc/60/98/53/670609853.db2.gz DEWOGILTAOGWBC-JTQLQIEISA-N -1 1 356.715 0.501 20 5 FCBDMM O=C([N-]S(=O)(=O)c1ccc(Br)cn1)[C@@H]1CC1[N+](=O)[O-] ZINC000842305623 670666272 /nfs/dbraw/zinc/66/62/72/670666272.db2.gz AVVJATVPKBLCAI-RNFRBKRXSA-N -1 1 350.150 0.314 20 5 FCBDMM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842343263 670670852 /nfs/dbraw/zinc/67/08/52/670670852.db2.gz VBAFVPBKOMJVCO-NXEZZACHSA-N -1 1 362.335 0.321 20 5 FCBDMM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCO[C@H](c2nn[nH]n2)C1 ZINC000843790170 670854812 /nfs/dbraw/zinc/85/48/12/670854812.db2.gz CTIGFTJYPVRETL-VIFPVBQESA-N -1 1 354.710 0.681 20 5 FCBDMM CN(CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C(=O)c1ncccc1[O-] ZINC000988535955 1192265613 /nfs/dbraw/zinc/26/56/13/1192265613.db2.gz ZWLPHUBYTXKJST-CHWSQXEVSA-N -1 1 362.386 0.763 20 5 FCBDMM CC(C)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(-c2nc[nH]n2)no1 ZINC000278001895 1178846407 /nfs/dbraw/zinc/84/64/07/1178846407.db2.gz HQMCHMXVPDFJSK-SECBINFHSA-N -1 1 374.317 0.991 20 5 FCBDMM CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000769050509 1200264034 /nfs/dbraw/zinc/26/40/34/1200264034.db2.gz XPSJJMBCKSFKFE-SNVBAGLBSA-N -1 1 365.342 0.536 20 5 FCBDMM Cn1[n-]cc2c(=NC(=O)C(=O)NCc3cccc([N+](=O)[O-])c3)ccnc1-2 ZINC000806869471 1202785698 /nfs/dbraw/zinc/78/56/98/1202785698.db2.gz VFLDYFPDSWUIJM-UHFFFAOYSA-N -1 1 354.326 0.505 20 5 FCBDMM CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000819551043 1203163794 /nfs/dbraw/zinc/16/37/94/1203163794.db2.gz CEYNDSYOHCFEOR-JTQLQIEISA-N -1 1 370.362 0.653 20 5 FCBDMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cc([N+](=O)[O-])cnc2N)cc1 ZINC000779104785 1211991405 /nfs/dbraw/zinc/99/14/05/1211991405.db2.gz REZCFYRVBHZWIZ-UHFFFAOYSA-N -1 1 374.309 0.694 20 5 FCBDMM O=C(c1ncccc1[O-])N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001010651826 1213805978 /nfs/dbraw/zinc/80/59/78/1213805978.db2.gz CWBIUKLEZBLVNO-VXGBXAGGSA-N -1 1 360.370 0.517 20 5 FCBDMM Cc1n[nH]c(C(=O)NC2CC3(C2)CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C3)c1[O-] ZINC001013993158 1213914972 /nfs/dbraw/zinc/91/49/72/1213914972.db2.gz FBYFKGJUVYXFCB-JTSVXJHVSA-N -1 1 363.374 0.246 20 5 FCBDMM O=C(COC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[N-]C(=O)c1ccccc1 ZINC000748917547 1218837657 /nfs/dbraw/zinc/83/76/57/1218837657.db2.gz QDHFMJIUACJREU-UHFFFAOYSA-N -1 1 359.294 0.256 20 5 FCBDMM COc1cnc([C@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])nc2C)[n-]c1=O ZINC001304659208 1263143756 /nfs/dbraw/zinc/14/37/56/1263143756.db2.gz FTIKRNDPNNOLTF-SNVBAGLBSA-N -1 1 362.346 0.968 20 5 FCBDMM C[C@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC001580446381 1278310894 /nfs/dbraw/zinc/31/08/94/1278310894.db2.gz BNJIRNRPXYQKGW-ZETCQYMHSA-N -1 1 373.420 0.307 20 5 FCBDMM C[C@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC001580446381 1278310906 /nfs/dbraw/zinc/31/09/06/1278310906.db2.gz BNJIRNRPXYQKGW-ZETCQYMHSA-N -1 1 373.420 0.307 20 5 FCBDMM C[C@H](O)C(C)(C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001575475553 1272144015 /nfs/dbraw/zinc/14/40/15/1272144015.db2.gz WMJZRZPEUACCSR-QMMMGPOBSA-N -1 1 370.391 0.460 20 5 FCBDMM C[C@H](O)C(C)(C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001575475553 1272144017 /nfs/dbraw/zinc/14/40/17/1272144017.db2.gz WMJZRZPEUACCSR-QMMMGPOBSA-N -1 1 370.391 0.460 20 5 FCBDMM CN(c1cccnc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001579277952 1277091322 /nfs/dbraw/zinc/09/13/22/1277091322.db2.gz KSQLBNNZXSJPJO-UHFFFAOYSA-N -1 1 361.343 0.995 20 5 FCBDMM CN(c1cccnc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001579277952 1277091324 /nfs/dbraw/zinc/09/13/24/1277091324.db2.gz KSQLBNNZXSJPJO-UHFFFAOYSA-N -1 1 361.343 0.995 20 5 FCBDMM CC(C)C[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001603304421 1287351326 /nfs/dbraw/zinc/35/13/26/1287351326.db2.gz WTIKOZZHSRKQSW-VIFPVBQESA-N -1 1 370.391 0.460 20 5 FCBDMM CC(C)C[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001603304421 1287351330 /nfs/dbraw/zinc/35/13/30/1287351330.db2.gz WTIKOZZHSRKQSW-VIFPVBQESA-N -1 1 370.391 0.460 20 5 FCBDMM Cc1nsc(N(C)C(=O)Cn2cc([N+](=O)[O-])nc2C)c1-c1nnn[n-]1 ZINC001581657891 1280368695 /nfs/dbraw/zinc/36/86/95/1280368695.db2.gz NYUKSNXSHCRHLE-UHFFFAOYSA-N -1 1 363.363 0.708 20 5 FCBDMM Cc1nsc(N(C)C(=O)Cn2cc([N+](=O)[O-])nc2C)c1-c1nn[n-]n1 ZINC001581657891 1280368699 /nfs/dbraw/zinc/36/86/99/1280368699.db2.gz NYUKSNXSHCRHLE-UHFFFAOYSA-N -1 1 363.363 0.708 20 5 FCBDMM C[C@@](CO)(NC(=O)c1cccc(-c2nnn[n-]2)n1)c1cccc([N+](=O)[O-])c1 ZINC001603564932 1287428011 /nfs/dbraw/zinc/42/80/11/1287428011.db2.gz CBIBCNAKNPQKSE-INIZCTEOSA-N -1 1 369.341 0.807 20 5 FCBDMM C[C@@](CO)(NC(=O)c1cccc(-c2nn[n-]n2)n1)c1cccc([N+](=O)[O-])c1 ZINC001603564932 1287428017 /nfs/dbraw/zinc/42/80/17/1287428017.db2.gz CBIBCNAKNPQKSE-INIZCTEOSA-N -1 1 369.341 0.807 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)Nc1ccc(F)c(F)c1 ZINC001582191602 1281168370 /nfs/dbraw/zinc/16/83/70/1281168370.db2.gz CAWYNGPRTOUCOI-UHFFFAOYSA-N -1 1 350.245 0.888 20 5 FCBDMM O=[N+]([O-])c1cnc(S[C@H]2CCCS(=O)(=O)C2)c(-c2nn[n-]n2)c1 ZINC001582804765 1282030712 /nfs/dbraw/zinc/03/07/12/1282030712.db2.gz LDASSHALZKHGBZ-QMMMGPOBSA-N -1 1 356.389 0.839 20 5 FCBDMM C[C@](NC(=O)C1CN([C@H]2CCOC2)C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604270064 1287596189 /nfs/dbraw/zinc/59/61/89/1287596189.db2.gz YDHPBURLCABNIE-WMLDXEAASA-N -1 1 363.370 0.732 20 5 FCBDMM C[C@@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CO1 ZINC001590206784 1283324456 /nfs/dbraw/zinc/32/44/56/1283324456.db2.gz LBEKSJRFJPRKMV-HTQZYQBOSA-N -1 1 354.348 0.231 20 5 FCBDMM C[C@@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CO1 ZINC001590206784 1283324468 /nfs/dbraw/zinc/32/44/68/1283324468.db2.gz LBEKSJRFJPRKMV-HTQZYQBOSA-N -1 1 354.348 0.231 20 5 FCBDMM C[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CO1 ZINC001590207633 1283329845 /nfs/dbraw/zinc/32/98/45/1283329845.db2.gz SUARLTAXBWVKHG-YUMQZZPRSA-N -1 1 354.348 0.231 20 5 FCBDMM C[C@H]1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCS1(=O)=O ZINC001590277017 1283405227 /nfs/dbraw/zinc/40/52/27/1283405227.db2.gz SRDSAXKHQNSKOZ-ZETCQYMHSA-N -1 1 358.405 0.850 20 5 FCBDMM C[C@H]1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCS1(=O)=O ZINC001590277017 1283405234 /nfs/dbraw/zinc/40/52/34/1283405234.db2.gz SRDSAXKHQNSKOZ-ZETCQYMHSA-N -1 1 358.405 0.850 20 5 FCBDMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCS1(=O)=O ZINC001590277015 1283405318 /nfs/dbraw/zinc/40/53/18/1283405318.db2.gz SRDSAXKHQNSKOZ-SSDOTTSWSA-N -1 1 358.405 0.850 20 5 FCBDMM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCS1(=O)=O ZINC001590277015 1283405321 /nfs/dbraw/zinc/40/53/21/1283405321.db2.gz SRDSAXKHQNSKOZ-SSDOTTSWSA-N -1 1 358.405 0.850 20 5 FCBDMM CC[C@H](CNS(C)(=O)=O)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590446121 1283541227 /nfs/dbraw/zinc/54/12/27/1283541227.db2.gz GQCBELXRKZDFPB-ZCFIWIBFSA-N -1 1 361.409 0.576 20 5 FCBDMM CC[C@H](CNS(C)(=O)=O)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590446121 1283541238 /nfs/dbraw/zinc/54/12/38/1283541238.db2.gz GQCBELXRKZDFPB-ZCFIWIBFSA-N -1 1 361.409 0.576 20 5 FCBDMM CC[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C[C@H]1O ZINC001590525409 1283587751 /nfs/dbraw/zinc/58/77/51/1283587751.db2.gz YBOJSRQLCWDEPM-GZMMTYOYSA-N -1 1 368.375 0.166 20 5 FCBDMM CC[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)C[C@H]1O ZINC001590525409 1283587757 /nfs/dbraw/zinc/58/77/57/1283587757.db2.gz YBOJSRQLCWDEPM-GZMMTYOYSA-N -1 1 368.375 0.166 20 5 FCBDMM CCN(CCOC)c1cccc(Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)n1 ZINC001590715864 1283750713 /nfs/dbraw/zinc/75/07/13/1283750713.db2.gz VXPHWZVGYUZMNK-UHFFFAOYSA-N -1 1 373.377 0.887 20 5 FCBDMM CC[C@@H]1OCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001590862397 1283933955 /nfs/dbraw/zinc/93/39/55/1283933955.db2.gz YPAKXUZTBGEVDP-SCZZXKLOSA-N -1 1 368.375 0.621 20 5 FCBDMM CN(C[C@@H]1CCOC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591063475 1284125203 /nfs/dbraw/zinc/12/52/03/1284125203.db2.gz ZEIDVPYXJZPRSB-VIFPVBQESA-N -1 1 368.375 0.432 20 5 FCBDMM CN(C[C@@H]1CCOC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591063475 1284125207 /nfs/dbraw/zinc/12/52/07/1284125207.db2.gz ZEIDVPYXJZPRSB-VIFPVBQESA-N -1 1 368.375 0.432 20 5 FCBDMM COC(=O)c1ccc(OC)c(Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)c1 ZINC001591297404 1284450534 /nfs/dbraw/zinc/45/05/34/1284450534.db2.gz SCRZRTDKDGBGMY-UHFFFAOYSA-N -1 1 359.302 0.815 20 5 FCBDMM COc1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c([N+](=O)[O-])cc1F ZINC001591518015 1284708929 /nfs/dbraw/zinc/70/89/29/1284708929.db2.gz LWQUQCNSJRXQGS-UHFFFAOYSA-N -1 1 362.281 0.908 20 5 FCBDMM COc1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c([N+](=O)[O-])cc1F ZINC001591518015 1284708935 /nfs/dbraw/zinc/70/89/35/1284708935.db2.gz LWQUQCNSJRXQGS-UHFFFAOYSA-N -1 1 362.281 0.908 20 5 FCBDMM CSC1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CC1 ZINC001591688325 1284829136 /nfs/dbraw/zinc/82/91/36/1284829136.db2.gz PCILNEBGGVHISJ-UHFFFAOYSA-N -1 1 370.416 0.949 20 5 FCBDMM CSC1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CC1 ZINC001591688325 1284829139 /nfs/dbraw/zinc/82/91/39/1284829139.db2.gz PCILNEBGGVHISJ-UHFFFAOYSA-N -1 1 370.416 0.949 20 5 FCBDMM C[C@@H]1CC[C@@H](O)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591735053 1284866203 /nfs/dbraw/zinc/86/62/03/1284866203.db2.gz OFPYDDDYSHLTAH-PSASIEDQSA-N -1 1 368.375 0.309 20 5 FCBDMM C[C@@H]1CC[C@@H](O)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591735053 1284866213 /nfs/dbraw/zinc/86/62/13/1284866213.db2.gz OFPYDDDYSHLTAH-PSASIEDQSA-N -1 1 368.375 0.309 20 5 FCBDMM C[C@H]1[C@@H](O)CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001591775903 1284898896 /nfs/dbraw/zinc/89/88/96/1284898896.db2.gz MQOKBKXWZIHLMQ-WPRPVWTQSA-N -1 1 368.375 0.309 20 5 FCBDMM Cc1c(CNC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)cccc1[N+](=O)[O-] ZINC001591819538 1284926947 /nfs/dbraw/zinc/92/69/47/1284926947.db2.gz XXHVYXOHJRGJDC-VIFPVBQESA-N -1 1 357.334 0.552 20 5 FCBDMM Cc1cc(Oc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)ccc1[N+](=O)[O-] ZINC001592062806 1285100972 /nfs/dbraw/zinc/10/09/72/1285100972.db2.gz MXFXYYOHVFQDMT-UHFFFAOYSA-N -1 1 359.302 0.273 20 5 FCBDMM Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001592399893 1285310412 /nfs/dbraw/zinc/31/04/12/1285310412.db2.gz YXPJZWSIBDBXCQ-UHFFFAOYSA-N -1 1 369.345 0.654 20 5 FCBDMM Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001592399893 1285310422 /nfs/dbraw/zinc/31/04/22/1285310422.db2.gz YXPJZWSIBDBXCQ-UHFFFAOYSA-N -1 1 369.345 0.654 20 5 FCBDMM NS(=O)(=O)C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001592746829 1285666362 /nfs/dbraw/zinc/66/63/62/1285666362.db2.gz KBANCSCYSBBWSV-SECBINFHSA-N -1 1 367.391 0.280 20 5 FCBDMM NS(=O)(=O)[C@H]1CCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001592746852 1285667672 /nfs/dbraw/zinc/66/76/72/1285667672.db2.gz LJDBTCJMQVUBQS-LURJTMIESA-N -1 1 359.393 0.094 20 5 FCBDMM NS(=O)(=O)[C@H]1CCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001592746852 1285667677 /nfs/dbraw/zinc/66/76/77/1285667677.db2.gz LJDBTCJMQVUBQS-LURJTMIESA-N -1 1 359.393 0.094 20 5 FCBDMM CN(C)C(=O)[C@@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)O1 ZINC001609263754 1289027741 /nfs/dbraw/zinc/02/77/41/1289027741.db2.gz XPQWKQMBVZMPDJ-GWCFXTLKSA-N -1 1 361.362 0.823 20 5 FCBDMM CN(CCN1CCCS1(=O)=O)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609275844 1289040396 /nfs/dbraw/zinc/04/03/96/1289040396.db2.gz NWMCTOZEKBHBOA-UHFFFAOYSA-N -1 1 367.391 0.247 20 5 FCBDMM O=C1[C@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCN1C1CCOCC1 ZINC001593378101 1286097478 /nfs/dbraw/zinc/09/74/78/1286097478.db2.gz KNJNMJPHRPLAKH-CYBMUJFWSA-N -1 1 373.373 0.967 20 5 FCBDMM O=C1[C@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCN1C1CCOCC1 ZINC001593378101 1286097483 /nfs/dbraw/zinc/09/74/83/1286097483.db2.gz KNJNMJPHRPLAKH-CYBMUJFWSA-N -1 1 373.373 0.967 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001593467086 1286172151 /nfs/dbraw/zinc/17/21/51/1286172151.db2.gz SAAVQXSJWCUSNR-NXEZZACHSA-N -1 1 364.387 0.646 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001593467086 1286172157 /nfs/dbraw/zinc/17/21/57/1286172157.db2.gz SAAVQXSJWCUSNR-NXEZZACHSA-N -1 1 364.387 0.646 20 5 FCBDMM O=[N+]([O-])c1cn(C[C@H]2CN(c3ccccc3)CCO2)nc1-c1nn[n-]n1 ZINC001593486651 1286176238 /nfs/dbraw/zinc/17/62/38/1286176238.db2.gz DXUIBPJZPHPERN-GFCCVEGCSA-N -1 1 356.346 0.877 20 5 FCBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCN1CCN(C)CC1)CC(=O)[O-] ZINC001600487716 1286497466 /nfs/dbraw/zinc/49/74/66/1286497466.db2.gz NAQQAVRWLBYFNP-UHFFFAOYSA-N -1 1 364.402 0.677 20 5 FCBDMM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC001601764917 1286829726 /nfs/dbraw/zinc/82/97/26/1286829726.db2.gz NNBBPVMGIFQJSN-PWSUYJOCSA-N -1 1 360.326 0.893 20 5 FCBDMM CC(=O)c1ccccc1NC(=O)Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001602980968 1287171496 /nfs/dbraw/zinc/17/14/96/1287171496.db2.gz UKAQMJBBYPRWHF-UHFFFAOYSA-N -1 1 356.302 0.813 20 5 FCBDMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(/C=C/c2ccc([N+](=O)[O-])o2)c1 ZINC001604964084 1287821781 /nfs/dbraw/zinc/82/17/81/1287821781.db2.gz GUERTGRQAYAHCH-SNAWJCMRSA-N -1 1 358.270 0.944 20 5 FCBDMM NC(=O)c1ccc(COc2ccc(F)nc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001606429694 1288311479 /nfs/dbraw/zinc/31/14/79/1288311479.db2.gz BHEJNONPYBVPGU-UHFFFAOYSA-N -1 1 359.277 0.987 20 5 FCBDMM Cn1cc([N+](=O)[O-])c(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)n1 ZINC001609479926 1289173593 /nfs/dbraw/zinc/17/35/93/1289173593.db2.gz YCSNCMCHGQZQHZ-UHFFFAOYSA-N -1 1 360.338 0.712 20 5 FCBDMM Cn1cc([N+](=O)[O-])c(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)n1 ZINC001609479926 1289173595 /nfs/dbraw/zinc/17/35/95/1289173595.db2.gz YCSNCMCHGQZQHZ-UHFFFAOYSA-N -1 1 360.338 0.712 20 5 FCBDMM Cn1ccnc1Cn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001609481082 1289174703 /nfs/dbraw/zinc/17/47/03/1289174703.db2.gz VHUPITHGJPPIMM-UHFFFAOYSA-N -1 1 352.314 0.872 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)NC[C@@H]2CC[C@@H](O)C2)c1 ZINC001607080262 1288649921 /nfs/dbraw/zinc/64/99/21/1288649921.db2.gz QYJLOXGCNXFBCV-PSASIEDQSA-N -1 1 368.375 0.214 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)NC[C@@H]2CC[C@@H](O)C2)c1 ZINC001607080262 1288649924 /nfs/dbraw/zinc/64/99/24/1288649924.db2.gz QYJLOXGCNXFBCV-PSASIEDQSA-N -1 1 368.375 0.214 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC[C@H]1CCCS1(=O)=O ZINC001607076773 1288650739 /nfs/dbraw/zinc/65/07/39/1288650739.db2.gz DSBYGBQAMSNZMX-MRVPVSSYSA-N -1 1 353.364 0.549 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC[C@H]1CCCS1(=O)=O ZINC001607076773 1288650743 /nfs/dbraw/zinc/65/07/43/1288650743.db2.gz DSBYGBQAMSNZMX-MRVPVSSYSA-N -1 1 353.364 0.549 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2Cc3ccncc3C2)c1-c1nn[n-]n1 ZINC001607085346 1288654225 /nfs/dbraw/zinc/65/42/25/1288654225.db2.gz PYKAJYAPLUSGPQ-UHFFFAOYSA-N -1 1 373.354 0.874 20 5 FCBDMM O=c1c(-c2nn[n-]n2)cn(CCC2OCCO2)c2ccc([N+](=O)[O-])cc12 ZINC001607091226 1288658335 /nfs/dbraw/zinc/65/83/35/1288658335.db2.gz BJLQIKAEUMXPFQ-UHFFFAOYSA-N -1 1 358.314 0.853 20 5 FCBDMM C[C@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001609072418 1288904635 /nfs/dbraw/zinc/90/46/35/1288904635.db2.gz PCLDPBYZWQGKMS-SSDOTTSWSA-N -1 1 362.281 0.810 20 5 FCBDMM C[C@@H]1C[C@H](N2CCOCC2)CN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609156203 1288955018 /nfs/dbraw/zinc/95/50/18/1288955018.db2.gz DIJVWPWOFAKZOR-MNOVXSKESA-N -1 1 360.378 0.469 20 5 FCBDMM C[C@@H]1C[C@H](N2CCOCC2)CN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] 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667611385 /nfs/dbraw/zinc/61/13/85/667611385.db2.gz QOEXIVJKKHELOB-LLVKDONJSA-N -1 1 358.351 0.962 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccccc2F)c([N+](=O)[O-])n1 ZINC000754806207 667611437 /nfs/dbraw/zinc/61/14/37/667611437.db2.gz UUBQINAPPRRHRR-LLVKDONJSA-N -1 1 358.351 0.962 20 5 FCBDMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1-n1cnnn1 ZINC000755276600 667628763 /nfs/dbraw/zinc/62/87/63/667628763.db2.gz XAOFCZMHESDPLY-UHFFFAOYSA-N -1 1 351.304 0.370 20 5 FCBDMM Cc1nn(CCC(=O)N2CCSC[C@@H]2c2nn[n-]n2)c(C)c1[N+](=O)[O-] ZINC000773162752 668077774 /nfs/dbraw/zinc/07/77/74/668077774.db2.gz PEMZIQLPCXBOOP-SNVBAGLBSA-N -1 1 366.407 0.628 20 5 FCBDMM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC ZINC000778067295 668348741 /nfs/dbraw/zinc/34/87/41/668348741.db2.gz FWRIJFZHJWSHJF-MRVPVSSYSA-N -1 1 352.752 0.715 20 5 FCBDMM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076353 668454863 /nfs/dbraw/zinc/45/48/63/668454863.db2.gz 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COc1ccc([C@]2(C)NC(=O)N([N-]C(=O)c3[nH]ncc3[N+](=O)[O-])C2=O)cc1 ZINC000819802500 1203171517 /nfs/dbraw/zinc/17/15/17/1203171517.db2.gz KETDCFUHDGYRMK-HNNXBMFYSA-N -1 1 374.313 0.439 20 5 FCBDMM CC(C)(C)OC(=O)NCC1(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)COC1 ZINC000862298898 1209909000 /nfs/dbraw/zinc/90/90/00/1209909000.db2.gz KRJUWRMHHQJHAE-UHFFFAOYSA-N -1 1 368.346 0.719 20 5 FCBDMM Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000777360114 1210993942 /nfs/dbraw/zinc/99/39/42/1210993942.db2.gz UAVUNUQZAVWJOD-UHFFFAOYSA-N -1 1 357.326 0.963 20 5 FCBDMM O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798148450 1221280160 /nfs/dbraw/zinc/28/01/60/1221280160.db2.gz BZACGMGJRCWWTB-UHFFFAOYSA-N -1 1 373.373 0.806 20 5 FCBDMM CC[C@H](C[C@H](C)O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001576705442 1273574409 /nfs/dbraw/zinc/57/44/09/1273574409.db2.gz LJYUFVJBYVNMJC-DTWKUNHWSA-N -1 1 370.391 0.603 20 5 FCBDMM CC[C@H](C[C@H](C)O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001576705442 1273574419 /nfs/dbraw/zinc/57/44/19/1273574419.db2.gz LJYUFVJBYVNMJC-DTWKUNHWSA-N -1 1 370.391 0.603 20 5 FCBDMM CCNC(=O)N1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001578237421 1275540607 /nfs/dbraw/zinc/54/06/07/1275540607.db2.gz JCMBTODSUISYCE-UHFFFAOYSA-N -1 1 352.380 0.688 20 5 FCBDMM CCNC(=O)N1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001578237421 1275540613 /nfs/dbraw/zinc/54/06/13/1275540613.db2.gz JCMBTODSUISYCE-UHFFFAOYSA-N -1 1 352.380 0.688 20 5 FCBDMM CC(C)(CNS(C)(=O)=O)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603150654 1287315650 /nfs/dbraw/zinc/31/56/50/1287315650.db2.gz JFDCHYMDMPDOAJ-UHFFFAOYSA-N -1 1 361.409 0.576 20 5 FCBDMM CC(C)(CNS(C)(=O)=O)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603150654 1287315658 /nfs/dbraw/zinc/31/56/58/1287315658.db2.gz JFDCHYMDMPDOAJ-UHFFFAOYSA-N -1 1 361.409 0.576 20 5 FCBDMM CCOCCOC[C@H](O)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609240724 1289015328 /nfs/dbraw/zinc/01/53/28/1289015328.db2.gz ACDNTYGLJFIYAA-LLVKDONJSA-N -1 1 352.351 0.601 20 5 FCBDMM O=c1c(Br)cn(-c2cncc(-c3nnn[n-]3)n2)cc1[N+](=O)[O-] ZINC001582806274 1282030363 /nfs/dbraw/zinc/03/03/63/1282030363.db2.gz LMNAVBRCYCATFN-UHFFFAOYSA-N -1 1 365.107 0.478 20 5 FCBDMM O=c1c(Br)cn(-c2cncc(-c3nn[n-]n3)n2)cc1[N+](=O)[O-] ZINC001582806274 1282030367 /nfs/dbraw/zinc/03/03/67/1282030367.db2.gz LMNAVBRCYCATFN-UHFFFAOYSA-N -1 1 365.107 0.478 20 5 FCBDMM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001588770199 1282699363 /nfs/dbraw/zinc/69/93/63/1282699363.db2.gz JCCHUVFCBZMTRR-NTMALXAHSA-N -1 1 369.345 0.586 20 5 FCBDMM CC(=O)C1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CC1 ZINC001588784768 1282700827 /nfs/dbraw/zinc/70/08/27/1282700827.db2.gz GMJYJNJFKCNZNB-UHFFFAOYSA-N -1 1 352.332 0.175 20 5 FCBDMM CC(=O)C1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CC1 ZINC001588784768 1282700839 /nfs/dbraw/zinc/70/08/39/1282700839.db2.gz GMJYJNJFKCNZNB-UHFFFAOYSA-N -1 1 352.332 0.175 20 5 FCBDMM CC(C)N1C(=O)C[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1=O ZINC001589709608 1282952734 /nfs/dbraw/zinc/95/27/34/1282952734.db2.gz OOAMMTIWEFGVRK-ZCFIWIBFSA-N -1 1 351.348 0.784 20 5 FCBDMM CC(C)N1C(=O)C[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1=O ZINC001589709608 1282952745 /nfs/dbraw/zinc/95/27/45/1282952745.db2.gz OOAMMTIWEFGVRK-ZCFIWIBFSA-N -1 1 351.348 0.784 20 5 FCBDMM C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1(CO)CC1 ZINC001589975982 1283152711 /nfs/dbraw/zinc/15/27/11/1283152711.db2.gz GQUXESNGTNCICN-MRVPVSSYSA-N -1 1 368.375 0.214 20 5 FCBDMM CC1(C)[C@@H](O)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590077178 1283204843 /nfs/dbraw/zinc/20/48/43/1283204843.db2.gz KVJHYFRWIHJCHQ-NSHDSACASA-N -1 1 368.375 0.309 20 5 FCBDMM CC1(C)[C@@H](O)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590077178 1283204855 /nfs/dbraw/zinc/20/48/55/1283204855.db2.gz KVJHYFRWIHJCHQ-NSHDSACASA-N -1 1 368.375 0.309 20 5 FCBDMM C[C@]1([C@@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)COC(=O)N1 ZINC001590120437 1283228487 /nfs/dbraw/zinc/22/84/87/1283228487.db2.gz OFBQCVQUQDXZOA-RFAUZJTJSA-N -1 1 374.361 0.885 20 5 FCBDMM C[C@]1([C@@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)COC(=O)N1 ZINC001590120437 1283228492 /nfs/dbraw/zinc/22/84/92/1283228492.db2.gz OFBQCVQUQDXZOA-RFAUZJTJSA-N -1 1 374.361 0.885 20 5 FCBDMM C[C@@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@@H](C)O1 ZINC001590206002 1283326623 /nfs/dbraw/zinc/32/66/23/1283326623.db2.gz GNWLDQCQDRPARB-HLTSFMKQSA-N -1 1 368.375 0.619 20 5 FCBDMM C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CO1 ZINC001590207625 1283327895 /nfs/dbraw/zinc/32/78/95/1283327895.db2.gz SUARLTAXBWVKHG-HTQZYQBOSA-N -1 1 354.348 0.231 20 5 FCBDMM CCNS(=O)(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590745508 1283798974 /nfs/dbraw/zinc/79/89/74/1283798974.db2.gz WZYMNVNLYXIMGA-JTQLQIEISA-N -1 1 367.391 0.293 20 5 FCBDMM CCNS(=O)(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590745508 1283798979 /nfs/dbraw/zinc/79/89/79/1283798979.db2.gz WZYMNVNLYXIMGA-JTQLQIEISA-N -1 1 367.391 0.293 20 5 FCBDMM CCOC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590817377 1283896940 /nfs/dbraw/zinc/89/69/40/1283896940.db2.gz SOLPXSXSKVLDEH-QMMMGPOBSA-N -1 1 356.364 0.478 20 5 FCBDMM CCOC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590817377 1283896951 /nfs/dbraw/zinc/89/69/51/1283896951.db2.gz SOLPXSXSKVLDEH-QMMMGPOBSA-N -1 1 356.364 0.478 20 5 FCBDMM CCOc1ccc(NC(=O)Cn2cnnc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590837818 1283913955 /nfs/dbraw/zinc/91/39/55/1283913955.db2.gz BOKJHRDFITTXLH-UHFFFAOYSA-N -1 1 359.306 0.404 20 5 FCBDMM CCS(=O)(=O)C1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001590845164 1283916545 /nfs/dbraw/zinc/91/65/45/1283916545.db2.gz BGERVRZKZKJFFX-UHFFFAOYSA-N -1 1 353.364 0.549 20 5 FCBDMM CCS(=O)(=O)C1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001590845164 1283916547 /nfs/dbraw/zinc/91/65/47/1283916547.db2.gz BGERVRZKZKJFFX-UHFFFAOYSA-N -1 1 353.364 0.549 20 5 FCBDMM COC(=O)[C@@]1(OC)CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001591247010 1284397512 /nfs/dbraw/zinc/39/75/12/1284397512.db2.gz XJEIILOJECGZAZ-GFCCVEGCSA-N -1 1 354.348 0.605 20 5 FCBDMM COC(=O)[C@@]1(OC)CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001591247010 1284397518 /nfs/dbraw/zinc/39/75/18/1284397518.db2.gz XJEIILOJECGZAZ-GFCCVEGCSA-N -1 1 354.348 0.605 20 5 FCBDMM CO[C@@H]1CC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591356196 1284490085 /nfs/dbraw/zinc/49/00/85/1284490085.db2.gz XNPXFSKLXWGTBT-WDEREUQCSA-N -1 1 368.375 0.573 20 5 FCBDMM CO[C@@H]1CC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591356196 1284490088 /nfs/dbraw/zinc/49/00/88/1284490088.db2.gz XNPXFSKLXWGTBT-WDEREUQCSA-N -1 1 368.375 0.573 20 5 FCBDMM COC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1)C1CC1 ZINC001591383180 1284521898 /nfs/dbraw/zinc/52/18/98/1284521898.db2.gz XVRWQSWFLMMFBJ-LLVKDONJSA-N -1 1 368.375 0.478 20 5 FCBDMM COC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1)C1CC1 ZINC001591383180 1284521907 /nfs/dbraw/zinc/52/19/07/1284521907.db2.gz XVRWQSWFLMMFBJ-LLVKDONJSA-N -1 1 368.375 0.478 20 5 FCBDMM CS(=O)(=O)[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001591672857 1284805099 /nfs/dbraw/zinc/80/50/99/1284805099.db2.gz FRUNQUAYNKAQEG-SECBINFHSA-N -1 1 367.391 0.573 20 5 FCBDMM CS(=O)(=O)[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001591672857 1284805107 /nfs/dbraw/zinc/80/51/07/1284805107.db2.gz FRUNQUAYNKAQEG-SECBINFHSA-N -1 1 367.391 0.573 20 5 FCBDMM CS(=O)(=O)N1CC[C@H](CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001591680488 1284821962 /nfs/dbraw/zinc/82/19/62/1284821962.db2.gz PIAWZDUKRXUVQP-SSDOTTSWSA-N -1 1 373.420 0.530 20 5 FCBDMM CS(=O)(=O)N1CC[C@H](CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001591680488 1284821972 /nfs/dbraw/zinc/82/19/72/1284821972.db2.gz PIAWZDUKRXUVQP-SSDOTTSWSA-N -1 1 373.420 0.530 20 5 FCBDMM C[C@@H](NC(=O)NCCn1cnc(-c2nn[n-]n2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001591727828 1284859343 /nfs/dbraw/zinc/85/93/43/1284859343.db2.gz OMJKYQIJHGHFDN-SECBINFHSA-N -1 1 372.349 0.427 20 5 FCBDMM Cc1cc(F)cc(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)c1[N+](=O)[O-] ZINC001591989996 1285045743 /nfs/dbraw/zinc/04/57/43/1285045743.db2.gz MUNHKTLBQXWDNU-UHFFFAOYSA-N -1 1 361.297 0.244 20 5 FCBDMM Cn1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc([N+](=O)[O-])ccc32)n1 ZINC001592580520 1285500295 /nfs/dbraw/zinc/50/02/95/1285500295.db2.gz NNRFROJUNRGPSF-UHFFFAOYSA-N -1 1 352.314 0.872 20 5 FCBDMM CCc1ccc(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)cc1[N+](=O)[O-] ZINC001609252420 1289020771 /nfs/dbraw/zinc/02/07/71/1289020771.db2.gz WQFGSQHHTLEHMK-UHFFFAOYSA-N -1 1 357.334 0.359 20 5 FCBDMM Nc1cc(NC[C@@H]2CN(C3CC3)C(=O)O2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760258 1285681124 /nfs/dbraw/zinc/68/11/24/1285681124.db2.gz UTJCKTYWWKOKKR-SECBINFHSA-N -1 1 360.334 0.752 20 5 FCBDMM Nc1cc(NC[C@@H]2CN(C3CC3)C(=O)O2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760258 1285681132 /nfs/dbraw/zinc/68/11/32/1285681132.db2.gz UTJCKTYWWKOKKR-SECBINFHSA-N -1 1 360.334 0.752 20 5 FCBDMM O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001593097704 1286003016 /nfs/dbraw/zinc/00/30/16/1286003016.db2.gz GVXXDNSNPWOKDL-UHFFFAOYSA-N -1 1 371.313 0.684 20 5 FCBDMM O=C1OCC[C@H]2CN(c3cc(-c4nnn[n-]4)sc3[N+](=O)[O-])CCN12 ZINC001593414953 1286139128 /nfs/dbraw/zinc/13/91/28/1286139128.db2.gz QDETYQINPIXFNV-ZETCQYMHSA-N -1 1 351.348 0.867 20 5 FCBDMM O=C1OCC[C@H]2CN(c3cc(-c4nn[n-]n4)sc3[N+](=O)[O-])CCN12 ZINC001593414953 1286139130 /nfs/dbraw/zinc/13/91/30/1286139130.db2.gz QDETYQINPIXFNV-ZETCQYMHSA-N -1 1 351.348 0.867 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](CO)Cc1cccnc1 ZINC001593465506 1286171264 /nfs/dbraw/zinc/17/12/64/1286171264.db2.gz CEQCGNGJOUAMRF-LLVKDONJSA-N -1 1 356.346 0.828 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](CO)Cc1cccnc1 ZINC001593465506 1286171268 /nfs/dbraw/zinc/17/12/68/1286171268.db2.gz CEQCGNGJOUAMRF-LLVKDONJSA-N -1 1 356.346 0.828 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001593467088 1286172273 /nfs/dbraw/zinc/17/22/73/1286172273.db2.gz SAAVQXSJWCUSNR-VHSXEESVSA-N -1 1 364.387 0.646 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001593467088 1286172275 /nfs/dbraw/zinc/17/22/75/1286172275.db2.gz SAAVQXSJWCUSNR-VHSXEESVSA-N -1 1 364.387 0.646 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001593467087 1286172779 /nfs/dbraw/zinc/17/27/79/1286172779.db2.gz SAAVQXSJWCUSNR-UWVGGRQHSA-N -1 1 364.387 0.646 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001593467087 1286172784 /nfs/dbraw/zinc/17/27/84/1286172784.db2.gz SAAVQXSJWCUSNR-UWVGGRQHSA-N -1 1 364.387 0.646 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]3C[C@H]32)c1-c1nn[n-]n1 ZINC001593483700 1286174730 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O=C([O-])c1cc(C(=O)Nc2nc(SCCO)n[nH]2)cc([N+](=O)[O-])c1 ZINC000833296985 601882328 /nfs/dbraw/zinc/88/23/28/601882328.db2.gz ADNMKZZFLZRWRK-UHFFFAOYSA-N -1 1 353.316 0.748 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCCOC2)c1-c1nn[n-]n1 ZINC000826500378 607594722 /nfs/dbraw/zinc/59/47/22/607594722.db2.gz WOMANAGKKBXCRK-SECBINFHSA-N -1 1 368.375 0.480 20 5 FCBDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826425034 607614405 /nfs/dbraw/zinc/61/44/05/607614405.db2.gz NNXRZFAAILILKL-UHFFFAOYSA-N -1 1 369.345 0.558 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H](CO)C2)c1-c1nn[n-]n1 ZINC000826500472 607623336 /nfs/dbraw/zinc/62/33/36/607623336.db2.gz ZKWOKCIBEUVQLH-SECBINFHSA-N -1 1 368.375 0.168 20 5 FCBDMM CC[C@H](C)[C@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825059765 607637183 /nfs/dbraw/zinc/63/71/83/607637183.db2.gz KHQSKXFJZFSWHY-WCBMZHEXSA-N -1 1 370.391 0.460 20 5 FCBDMM CNC(=O)c1ccc(N2CCN(CCC(=O)[O-])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000833700835 605049990 /nfs/dbraw/zinc/04/99/90/605049990.db2.gz SXXZMWWNFNJLES-LLVKDONJSA-N -1 1 350.375 0.940 20 5 FCBDMM C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@H](C)CO1 ZINC000820769037 606730379 /nfs/dbraw/zinc/73/03/79/606730379.db2.gz QTJXCDUMQCSPTN-RKDXNWHRSA-N -1 1 368.375 0.573 20 5 FCBDMM C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCCO1 ZINC000820768379 606732615 /nfs/dbraw/zinc/73/26/15/606732615.db2.gz NEBAXFRDAPDHQR-SECBINFHSA-N -1 1 368.375 0.574 20 5 FCBDMM C[C@H]1CSCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820813843 606733946 /nfs/dbraw/zinc/73/39/46/606733946.db2.gz NUIZHNCVXRGNAR-QMMMGPOBSA-N -1 1 370.416 0.901 20 5 FCBDMM Nn1c(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])nnc1C(F)(F)F ZINC000822912325 607028475 /nfs/dbraw/zinc/02/84/75/607028475.db2.gz WFFONHOHGGFTLL-UHFFFAOYSA-N -1 1 374.268 0.645 20 5 FCBDMM Nn1c(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])nnc1C(F)(F)F ZINC000822912325 607028477 /nfs/dbraw/zinc/02/84/77/607028477.db2.gz WFFONHOHGGFTLL-UHFFFAOYSA-N -1 1 374.268 0.645 20 5 FCBDMM O=C(N1CCCC1)N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000823140737 607166012 /nfs/dbraw/zinc/16/60/12/607166012.db2.gz YYOUKGLRGRMROS-UHFFFAOYSA-N -1 1 373.377 0.508 20 5 FCBDMM O=C(N1CCCC1)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000823140737 607166013 /nfs/dbraw/zinc/16/60/13/607166013.db2.gz YYOUKGLRGRMROS-UHFFFAOYSA-N -1 1 373.377 0.508 20 5 FCBDMM O=C(NC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1)C1CC1 ZINC000823155270 607168009 /nfs/dbraw/zinc/16/80/09/607168009.db2.gz QGONINMKYSIUGV-UHFFFAOYSA-N -1 1 358.362 0.665 20 5 FCBDMM O=C(NC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1)C1CC1 ZINC000823155270 607168010 /nfs/dbraw/zinc/16/80/10/607168010.db2.gz QGONINMKYSIUGV-UHFFFAOYSA-N -1 1 358.362 0.665 20 5 FCBDMM CC(C)(NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000819988291 607221726 /nfs/dbraw/zinc/22/17/26/607221726.db2.gz XFNMKYORGGDUAK-UHFFFAOYSA-N -1 1 357.334 0.418 20 5 FCBDMM O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826498164 607895701 /nfs/dbraw/zinc/89/57/01/607895701.db2.gz JRKOJDQNKQWJJK-JSGCOSHPSA-N -1 1 357.330 0.676 20 5 FCBDMM O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826498164 607895702 /nfs/dbraw/zinc/89/57/02/607895702.db2.gz JRKOJDQNKQWJJK-JSGCOSHPSA-N -1 1 357.330 0.676 20 5 FCBDMM C[C@@H](CO)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824436857 607972465 /nfs/dbraw/zinc/97/24/65/607972465.db2.gz WNOOAUBZQSPBAZ-SECBINFHSA-N -1 1 370.391 0.462 20 5 FCBDMM C[C@H]1OCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825019579 608111560 /nfs/dbraw/zinc/11/15/60/608111560.db2.gz FLWKNCJFSZFWMR-SFYZADRCSA-N -1 1 354.348 0.231 20 5 FCBDMM CN(C)C(=O)[C@@H]1CC[C@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])O1 ZINC000825839598 608411972 /nfs/dbraw/zinc/41/19/72/608411972.db2.gz KILNNWLWCZSEMP-SCZZXKLOSA-N -1 1 362.350 0.218 20 5 FCBDMM CN(C)C(=O)[C@@H]1CC[C@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])O1 ZINC000825839598 608411974 /nfs/dbraw/zinc/41/19/74/608411974.db2.gz KILNNWLWCZSEMP-SCZZXKLOSA-N -1 1 362.350 0.218 20 5 FCBDMM CN(C[C@@H](O)C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825902360 608441592 /nfs/dbraw/zinc/44/15/92/608441592.db2.gz RZOQDGQTUFTSNZ-SNVBAGLBSA-N -1 1 368.375 0.166 20 5 FCBDMM C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@H](C)O1 ZINC000820767678 609181093 /nfs/dbraw/zinc/18/10/93/609181093.db2.gz JUVNLHGQLWKPHQ-DTORHVGOSA-N -1 1 368.375 0.573 20 5 FCBDMM CN(C)C(=O)CC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000825839904 609311002 /nfs/dbraw/zinc/31/10/02/609311002.db2.gz KWOJCTGCMKUMKG-UHFFFAOYSA-N -1 1 360.378 0.865 20 5 FCBDMM CN(C)C(=O)CC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000825839904 609311004 /nfs/dbraw/zinc/31/10/04/609311004.db2.gz KWOJCTGCMKUMKG-UHFFFAOYSA-N -1 1 360.378 0.865 20 5 FCBDMM O=C1OCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000728291790 665136152 /nfs/dbraw/zinc/13/61/52/665136152.db2.gz LHCQHRMHJNSHSJ-ZETCQYMHSA-N -1 1 365.161 0.951 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]CC(=O)OCc2ccccc2)c([N+](=O)[O-])n1 ZINC000754790774 667610758 /nfs/dbraw/zinc/61/07/58/667610758.db2.gz STSRZYORWRLHDW-UHFFFAOYSA-N -1 1 368.371 0.833 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CSCCS2)c([N+](=O)[O-])n1 ZINC000754817794 667612682 /nfs/dbraw/zinc/61/26/82/667612682.db2.gz WXTSYRVBMRSPID-MRVPVSSYSA-N -1 1 352.463 0.938 20 5 FCBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)NC(=O)NCC(F)(F)F ZINC000769050343 668111973 /nfs/dbraw/zinc/11/19/73/668111973.db2.gz TWPYUJBAZWIAID-UHFFFAOYSA-N -1 1 365.220 0.845 20 5 FCBDMM O=C(CCCCc1cn[nH]n1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1 ZINC000774131477 668128138 /nfs/dbraw/zinc/12/81/38/668128138.db2.gz OTXXGGIYRXDZIW-UHFFFAOYSA-N -1 1 354.348 0.326 20 5 FCBDMM CCOC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1 ZINC000770278930 668184609 /nfs/dbraw/zinc/18/46/09/668184609.db2.gz BXDKTRCZQZGUEW-VIFPVBQESA-N -1 1 361.380 0.320 20 5 FCBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000784213826 668647124 /nfs/dbraw/zinc/64/71/24/668647124.db2.gz HUXHUWMGNQIRPQ-WPRPVWTQSA-N -1 1 372.355 0.149 20 5 FCBDMM O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798270852 669221842 /nfs/dbraw/zinc/22/18/42/669221842.db2.gz WGZBSVJHVPPCDM-UHFFFAOYSA-N -1 1 352.738 0.885 20 5 FCBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCn2ncnn2)c(Cl)cc1Cl ZINC000809825804 669642140 /nfs/dbraw/zinc/64/21/40/669642140.db2.gz MZHJOJZZYXBUBZ-UHFFFAOYSA-N -1 1 367.174 0.867 20 5 FCBDMM COCCNC(=O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814980318 669894560 /nfs/dbraw/zinc/89/45/60/669894560.db2.gz IVAMMYFNPASAQH-UHFFFAOYSA-N -1 1 369.758 0.428 20 5 FCBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@]1(O)CCOC1 ZINC000815027506 669896047 /nfs/dbraw/zinc/89/60/47/669896047.db2.gz SEQYJUMRSLAIOX-LLVKDONJSA-N -1 1 354.743 0.817 20 5 FCBDMM COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])cc1Cl ZINC000842324636 670668281 /nfs/dbraw/zinc/66/82/81/670668281.db2.gz DSTMTZZJSUXPNV-PSASIEDQSA-N -1 1 362.747 0.597 20 5 FCBDMM Cn1nnc2c1CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C2 ZINC000848492202 671280724 /nfs/dbraw/zinc/28/07/24/671280724.db2.gz ZQOHRIKENGRNCF-MRVPVSSYSA-N -1 1 355.351 0.698 20 5 FCBDMM Cc1nn(Cc2ccc(C(=O)NN3CC(=O)[N-]C3=O)cc2)c(C)c1[N+](=O)[O-] ZINC000025612804 1190068554 /nfs/dbraw/zinc/06/85/54/1190068554.db2.gz XXVBYRCORPGVIE-UHFFFAOYSA-N -1 1 372.341 0.653 20 5 FCBDMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000766973700 1199107337 /nfs/dbraw/zinc/10/73/37/1199107337.db2.gz MPTMQXMQLUDWFH-UHFFFAOYSA-N -1 1 362.298 0.450 20 5 FCBDMM Cn1[n-]c(COC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)nc1=O ZINC000786783445 1200852099 /nfs/dbraw/zinc/85/20/99/1200852099.db2.gz UBZDWODCDYJGJX-UHFFFAOYSA-N -1 1 359.298 0.687 20 5 FCBDMM O=C(c1ncccc1[O-])N1[C@@H]2CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC000952713711 1212972620 /nfs/dbraw/zinc/97/26/20/1212972620.db2.gz XCVRSAUJOPVJBZ-YVECIDJPSA-N -1 1 360.370 0.658 20 5 FCBDMM O=C(NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ncccc1[O-] ZINC000963963969 1214879584 /nfs/dbraw/zinc/87/95/84/1214879584.db2.gz USEWDVLKURCSSL-FDYHWXHSSA-N -1 1 362.386 0.857 20 5 FCBDMM O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798148187 1221280075 /nfs/dbraw/zinc/28/00/75/1221280075.db2.gz QUPIBTDZCRIQCB-UHFFFAOYSA-N -1 1 357.330 0.713 20 5 FCBDMM Cn1c(Cc2nnn[n-]2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001519544918 1265730032 /nfs/dbraw/zinc/73/00/32/1265730032.db2.gz KOUFQTHTPLHTKJ-UHFFFAOYSA-N -1 1 370.377 0.154 20 5 FCBDMM Cn1c(Cc2nn[n-]n2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001519544918 1265730038 /nfs/dbraw/zinc/73/00/38/1265730038.db2.gz KOUFQTHTPLHTKJ-UHFFFAOYSA-N -1 1 370.377 0.154 20 5 FCBDMM Cn1[n-]cc2c(=NC(=O)C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)ccnc1-2 ZINC001324828556 1264709590 /nfs/dbraw/zinc/70/95/90/1264709590.db2.gz NPTRCCRVPRTUEU-UHFFFAOYSA-N -1 1 366.337 0.731 20 5 FCBDMM C[C@H]1CCC(=O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001576103056 1272887699 /nfs/dbraw/zinc/88/76/99/1272887699.db2.gz ZLPACULDMBKBAJ-QMMMGPOBSA-N -1 1 366.359 0.517 20 5 FCBDMM C[C@H]1OCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)[C@@H]1C ZINC001576399234 1273237970 /nfs/dbraw/zinc/23/79/70/1273237970.db2.gz XPXSCFQBNLKWCS-RKDXNWHRSA-N -1 1 368.375 0.573 20 5 FCBDMM C[C@H]1OCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)[C@@H]1C ZINC001576399234 1273237975 /nfs/dbraw/zinc/23/79/75/1273237975.db2.gz XPXSCFQBNLKWCS-RKDXNWHRSA-N -1 1 368.375 0.573 20 5 FCBDMM CCC[C@H](CCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001577325501 1274331610 /nfs/dbraw/zinc/33/16/10/1274331610.db2.gz CAXWNLUEEBCSLG-SECBINFHSA-N -1 1 370.391 0.604 20 5 FCBDMM CCC[C@H](CCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001577325501 1274331616 /nfs/dbraw/zinc/33/16/16/1274331616.db2.gz CAXWNLUEEBCSLG-SECBINFHSA-N -1 1 370.391 0.604 20 5 FCBDMM CCOC(=O)[C@@H]1[C@@H]2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C[C@@H]21 ZINC001578250679 1275551821 /nfs/dbraw/zinc/55/18/21/1275551821.db2.gz BWYBYUJWQWOJIH-DVVUODLYSA-N -1 1 359.346 0.805 20 5 FCBDMM CCOC(=O)[C@@H]1[C@@H]2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C[C@@H]21 ZINC001578250679 1275551826 /nfs/dbraw/zinc/55/18/26/1275551826.db2.gz BWYBYUJWQWOJIH-DVVUODLYSA-N -1 1 359.346 0.805 20 5 FCBDMM CC(C)(C(=O)[O-])N1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001603257878 1287341180 /nfs/dbraw/zinc/34/11/80/1287341180.db2.gz BKABNRPWNAUNKW-UHFFFAOYSA-N -1 1 364.358 0.541 20 5 FCBDMM C[C@H](CC(C)(C)O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001603451635 1287375530 /nfs/dbraw/zinc/37/55/30/1287375530.db2.gz RGELCSWALKEFIG-MRVPVSSYSA-N -1 1 370.391 0.603 20 5 FCBDMM Cn1c(=O)[nH]c(NCCc2ccccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1=O ZINC001581747435 1280450239 /nfs/dbraw/zinc/45/02/39/1280450239.db2.gz NPJGBZNKVOJOOK-UHFFFAOYSA-N -1 1 358.318 0.229 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)N2CCOCC23CC3)c1 ZINC001582803344 1282027611 /nfs/dbraw/zinc/02/76/11/1282027611.db2.gz CXBOKKOMVITSRV-UHFFFAOYSA-N -1 1 366.359 0.328 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)N2CCOCC23CC3)c1 ZINC001582803344 1282027627 /nfs/dbraw/zinc/02/76/27/1282027627.db2.gz CXBOKKOMVITSRV-UHFFFAOYSA-N -1 1 366.359 0.328 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@](CO)(C(F)(F)F)C1 ZINC001582801942 1282028332 /nfs/dbraw/zinc/02/83/32/1282028332.db2.gz HHSGERQPTQHDTI-LLVKDONJSA-N -1 1 359.268 0.921 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@](CO)(C(F)(F)F)C1 ZINC001582801942 1282028337 /nfs/dbraw/zinc/02/83/37/1282028337.db2.gz HHSGERQPTQHDTI-LLVKDONJSA-N -1 1 359.268 0.921 20 5 FCBDMM C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588963046 1282744639 /nfs/dbraw/zinc/74/46/39/1282744639.db2.gz UFAWACCFIZWIJY-SECBINFHSA-N -1 1 369.345 0.512 20 5 FCBDMM C[C@@H](C(=O)NCC(=O)c1ccccc1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001588980265 1282751179 /nfs/dbraw/zinc/75/11/79/1282751179.db2.gz VVGGEZKALCWZFU-VIFPVBQESA-N -1 1 370.329 0.532 20 5 FCBDMM C[C@H](C(=O)NCC(=O)c1ccccc1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001588980264 1282751866 /nfs/dbraw/zinc/75/18/66/1282751866.db2.gz VVGGEZKALCWZFU-SECBINFHSA-N -1 1 370.329 0.532 20 5 FCBDMM C[C@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001589002907 1282763363 /nfs/dbraw/zinc/76/33/63/1282763363.db2.gz HEXKDFQNQFHUPE-IUCAKERBSA-N -1 1 357.334 0.805 20 5 FCBDMM C[C@H](C(=O)NCc1ccc(F)cc1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001588999232 1282764214 /nfs/dbraw/zinc/76/42/14/1282764214.db2.gz ZQNLWGGBGONDEG-MRVPVSSYSA-N -1 1 360.309 0.988 20 5 FCBDMM CCNS(=O)(=O)[C@H]1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001604357345 1287612968 /nfs/dbraw/zinc/61/29/68/1287612968.db2.gz ZABJNVAKFRPLFL-JTQLQIEISA-N -1 1 367.391 0.293 20 5 FCBDMM C[C@H](C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])n1cnc(-c2nn[n-]n2)n1 ZINC001589850697 1283087706 /nfs/dbraw/zinc/08/77/06/1283087706.db2.gz HGPIUBYBZZAGQM-NXEZZACHSA-N -1 1 371.361 0.847 20 5 FCBDMM C[C@@H](O)CN(C)c1cc(-c2nnn[n-]2)c([N+](=O)[O-])c(N(C)C[C@@H](C)O)c1 ZINC001590000689 1283168355 /nfs/dbraw/zinc/16/83/55/1283168355.db2.gz PERWETJQMJVRSA-NXEZZACHSA-N -1 1 365.394 0.409 20 5 FCBDMM C[C@@H](O)CN(C)c1cc(-c2nn[n-]n2)c([N+](=O)[O-])c(N(C)C[C@@H](C)O)c1 ZINC001590000689 1283168357 /nfs/dbraw/zinc/16/83/57/1283168357.db2.gz PERWETJQMJVRSA-NXEZZACHSA-N -1 1 365.394 0.409 20 5 FCBDMM CCOC(=O)[C@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC12COC2 ZINC001590760158 1283822891 /nfs/dbraw/zinc/82/28/91/1283822891.db2.gz QBADUSQUGYAPOS-GFCCVEGCSA-N -1 1 374.357 0.791 20 5 FCBDMM CCc1nn(Cc2cccnc2[N+](=O)[O-])c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929680 1283978304 /nfs/dbraw/zinc/97/83/04/1283978304.db2.gz LFJSBUYYLKAJKM-UHFFFAOYSA-N -1 1 356.346 0.900 20 5 FCBDMM CN(C)C(=O)Cn1cc(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC001591003911 1284064088 /nfs/dbraw/zinc/06/40/88/1284064088.db2.gz MXRHOZXXSJXGSY-UHFFFAOYSA-N -1 1 357.334 0.803 20 5 FCBDMM CN(C)C(=O)Cn1cc(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1 ZINC001591003911 1284064093 /nfs/dbraw/zinc/06/40/93/1284064093.db2.gz MXRHOZXXSJXGSY-UHFFFAOYSA-N -1 1 357.334 0.803 20 5 FCBDMM CN1C(=O)NCC12CCN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC001591165439 1284246331 /nfs/dbraw/zinc/24/63/31/1284246331.db2.gz RATJFTBMVIOTEO-UHFFFAOYSA-N -1 1 359.350 0.164 20 5 FCBDMM CN1C(=O)NCC12CCN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC001591165439 1284246342 /nfs/dbraw/zinc/24/63/42/1284246342.db2.gz RATJFTBMVIOTEO-UHFFFAOYSA-N -1 1 359.350 0.164 20 5 FCBDMM COC(=O)c1cn(C2CN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)C2)nn1 ZINC001591306407 1284455847 /nfs/dbraw/zinc/45/58/47/1284455847.db2.gz LDESLCNWYIBLMK-UHFFFAOYSA-N -1 1 371.317 0.214 20 5 FCBDMM COc1cc([N+](=O)[O-])cnc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591555208 1284729061 /nfs/dbraw/zinc/72/90/61/1284729061.db2.gz RXNGRZFLQYFUGH-UHFFFAOYSA-N -1 1 356.302 0.755 20 5 FCBDMM COc1cc([N+](=O)[O-])cnc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591555208 1284729071 /nfs/dbraw/zinc/72/90/71/1284729071.db2.gz RXNGRZFLQYFUGH-UHFFFAOYSA-N -1 1 356.302 0.755 20 5 FCBDMM COc1ccc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)cc1[N+](=O)[O-] ZINC001591611225 1284769658 /nfs/dbraw/zinc/76/96/58/1284769658.db2.gz SPHRPQLUPLNKSN-ZETCQYMHSA-N -1 1 359.306 0.575 20 5 FCBDMM Cc1c(-c2nnn[n-]2)c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])nn1C ZINC001591797491 1284912657 /nfs/dbraw/zinc/91/26/57/1284912657.db2.gz YQYDCKLNCNWBAB-UHFFFAOYSA-N -1 1 371.361 0.892 20 5 FCBDMM Cc1c(-c2nn[n-]n2)c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])nn1C ZINC001591797491 1284912663 /nfs/dbraw/zinc/91/26/63/1284912663.db2.gz YQYDCKLNCNWBAB-UHFFFAOYSA-N -1 1 371.361 0.892 20 5 FCBDMM Cc1cc(N[C@H]2CCCN(CCO)C2=O)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592038194 1285081519 /nfs/dbraw/zinc/08/15/19/1285081519.db2.gz XZMCGRKAPKYLTJ-LBPRGKRZSA-N -1 1 361.362 0.479 20 5 FCBDMM Cc1cc(N[C@H]2CCCN(CCO)C2=O)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592038194 1285081527 /nfs/dbraw/zinc/08/15/27/1285081527.db2.gz XZMCGRKAPKYLTJ-LBPRGKRZSA-N -1 1 361.362 0.479 20 5 FCBDMM Cc1cc(NCCC2CS(=O)(=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592045937 1285085396 /nfs/dbraw/zinc/08/53/96/1285085396.db2.gz LMFJUWMVGNPECZ-UHFFFAOYSA-N -1 1 352.376 0.930 20 5 FCBDMM Cc1cc(NCCC2CS(=O)(=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592045937 1285085409 /nfs/dbraw/zinc/08/54/09/1285085409.db2.gz LMFJUWMVGNPECZ-UHFFFAOYSA-N -1 1 352.376 0.930 20 5 FCBDMM Cc1ccc(CNC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)cc1[N+](=O)[O-] ZINC001592156759 1285166116 /nfs/dbraw/zinc/16/61/16/1285166116.db2.gz WUMQFGAYBQYGMD-VIFPVBQESA-N -1 1 357.334 0.552 20 5 FCBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)n1 ZINC001592558640 1285469839 /nfs/dbraw/zinc/46/98/39/1285469839.db2.gz CFSDCVPVMMTJPP-UHFFFAOYSA-N -1 1 362.281 0.665 20 5 FCBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)n1 ZINC001592558640 1285469842 /nfs/dbraw/zinc/46/98/42/1285469842.db2.gz CFSDCVPVMMTJPP-UHFFFAOYSA-N -1 1 362.281 0.665 20 5 FCBDMM Cn1nc(C(C)(C)C)cc1NC(=O)Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001592593318 1285526564 /nfs/dbraw/zinc/52/65/64/1285526564.db2.gz GLEGGAXWRSYJNM-UHFFFAOYSA-N -1 1 374.365 0.641 20 5 FCBDMM Nc1cc(N2CC[C@H](N3CCOC3=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759676 1285681225 /nfs/dbraw/zinc/68/12/25/1285681225.db2.gz GKHJVKCOXUGQIE-QMMMGPOBSA-N -1 1 360.334 0.388 20 5 FCBDMM Nc1cc(N2CC[C@H](N3CCOC3=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759676 1285681234 /nfs/dbraw/zinc/68/12/34/1285681234.db2.gz GKHJVKCOXUGQIE-QMMMGPOBSA-N -1 1 360.334 0.388 20 5 FCBDMM Nc1cc(N2CCC(Cn3cncn3)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760100 1285681785 /nfs/dbraw/zinc/68/17/85/1285681785.db2.gz RUTJLPOILMDBMS-UHFFFAOYSA-N -1 1 370.377 0.865 20 5 FCBDMM Nc1cc(N2CCC(Cn3cncn3)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760100 1285681796 /nfs/dbraw/zinc/68/17/96/1285681796.db2.gz RUTJLPOILMDBMS-UHFFFAOYSA-N -1 1 370.377 0.865 20 5 FCBDMM CN(C)C(=O)[C@@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)O1 ZINC001609263756 1289027702 /nfs/dbraw/zinc/02/77/02/1289027702.db2.gz XPQWKQMBVZMPDJ-MFKMUULPSA-N -1 1 361.362 0.823 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)NCCCc1ccccc1 ZINC001592937434 1285825709 /nfs/dbraw/zinc/82/57/09/1285825709.db2.gz APLYEHKHKKFVBO-UHFFFAOYSA-N -1 1 356.346 0.720 20 5 FCBDMM O=C(Cn1cc(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1)NC1CC1 ZINC001592937668 1285828355 /nfs/dbraw/zinc/82/83/55/1285828355.db2.gz KZSYERYHCUZZPF-UHFFFAOYSA-N -1 1 369.345 0.994 20 5 FCBDMM O=C(Cn1cc(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1)NC1CC1 ZINC001592937668 1285828364 /nfs/dbraw/zinc/82/83/64/1285828364.db2.gz KZSYERYHCUZZPF-UHFFFAOYSA-N -1 1 369.345 0.994 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001593466573 1286170214 /nfs/dbraw/zinc/17/02/14/1286170214.db2.gz SKNOKXXKTYAILT-CHWSQXEVSA-N -1 1 369.341 0.798 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001593466573 1286170222 /nfs/dbraw/zinc/17/02/22/1286170222.db2.gz SKNOKXXKTYAILT-CHWSQXEVSA-N -1 1 369.341 0.798 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001593465958 1286171357 /nfs/dbraw/zinc/17/13/57/1286171357.db2.gz KJYAAOAMFISOSO-SNVBAGLBSA-N -1 1 372.349 0.095 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001593465958 1286171360 /nfs/dbraw/zinc/17/13/60/1286171360.db2.gz KJYAAOAMFISOSO-SNVBAGLBSA-N -1 1 372.349 0.095 20 5 FCBDMM O=[N+]([O-])c1cn(CCCS(=O)(=O)c2ccccc2)nc1-c1nn[n-]n1 ZINC001593486683 1286175629 /nfs/dbraw/zinc/17/56/29/1286175629.db2.gz HDETXGXIMAQORD-UHFFFAOYSA-N -1 1 363.359 0.835 20 5 FCBDMM O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001593487901 1286176487 /nfs/dbraw/zinc/17/64/87/1286176487.db2.gz UXRIXKMAAJECIG-UHFFFAOYSA-N -1 1 370.376 0.011 20 5 FCBDMM O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001593487901 1286176490 /nfs/dbraw/zinc/17/64/90/1286176490.db2.gz UXRIXKMAAJECIG-UHFFFAOYSA-N -1 1 370.376 0.011 20 5 FCBDMM O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1nc(-c2nnn[n-]2)cs1 ZINC001593493291 1286180135 /nfs/dbraw/zinc/18/01/35/1286180135.db2.gz FZFLNPFCCBAJGK-UHFFFAOYSA-N -1 1 356.327 0.990 20 5 FCBDMM O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1nc(-c2nn[n-]n2)cs1 ZINC001593493291 1286180140 /nfs/dbraw/zinc/18/01/40/1286180140.db2.gz FZFLNPFCCBAJGK-UHFFFAOYSA-N -1 1 356.327 0.990 20 5 FCBDMM CC(C)(C(N)=O)N1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001603051204 1287198541 /nfs/dbraw/zinc/19/85/41/1287198541.db2.gz AWEJSNPFPBUMSI-UHFFFAOYSA-N -1 1 366.407 0.222 20 5 FCBDMM CC(C)(C(N)=O)N1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001603051204 1287198542 /nfs/dbraw/zinc/19/85/42/1287198542.db2.gz AWEJSNPFPBUMSI-UHFFFAOYSA-N -1 1 366.407 0.222 20 5 FCBDMM COCC1(C)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC001605066929 1287864065 /nfs/dbraw/zinc/86/40/65/1287864065.db2.gz RQDRTAQJRLFALE-UHFFFAOYSA-N -1 1 368.375 0.432 20 5 FCBDMM Cc1noc(CN2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1[N+](=O)[O-] ZINC001606133308 1288177122 /nfs/dbraw/zinc/17/71/22/1288177122.db2.gz GAIUNZQCERPEEF-UHFFFAOYSA-N -1 1 371.361 0.789 20 5 FCBDMM Cc1noc(CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1[N+](=O)[O-] ZINC001606133308 1288177125 /nfs/dbraw/zinc/17/71/25/1288177125.db2.gz GAIUNZQCERPEEF-UHFFFAOYSA-N -1 1 371.361 0.789 20 5 FCBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC001606221750 1288213233 /nfs/dbraw/zinc/21/32/33/1288213233.db2.gz NWKLIDATFKESSZ-UHFFFAOYSA-N -1 1 364.272 0.968 20 5 FCBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC001606221750 1288213239 /nfs/dbraw/zinc/21/32/39/1288213239.db2.gz NWKLIDATFKESSZ-UHFFFAOYSA-N -1 1 364.272 0.968 20 5 FCBDMM Nc1cc(N2CC[C@@H](Nc3ncccn3)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606451373 1288323575 /nfs/dbraw/zinc/32/35/75/1288323575.db2.gz OYZFLZJCNQQPHR-SECBINFHSA-N -1 1 368.361 0.838 20 5 FCBDMM Nc1cc(N2CC[C@@H](Nc3ncccn3)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606451373 1288323580 /nfs/dbraw/zinc/32/35/80/1288323580.db2.gz OYZFLZJCNQQPHR-SECBINFHSA-N -1 1 368.361 0.838 20 5 FCBDMM Cn1cc(N2CC[C@@H](Nc3cc(N)c([N+](=O)[O-])c(-c4nnn[n-]4)c3)C2)cn1 ZINC001609479500 1289173527 /nfs/dbraw/zinc/17/35/27/1289173527.db2.gz VRORVHNIQUVTMX-SECBINFHSA-N -1 1 370.377 0.781 20 5 FCBDMM Cn1cc(N2CC[C@@H](Nc3cc(N)c([N+](=O)[O-])c(-c4nn[n-]n4)c3)C2)cn1 ZINC001609479500 1289173530 /nfs/dbraw/zinc/17/35/30/1289173530.db2.gz VRORVHNIQUVTMX-SECBINFHSA-N -1 1 370.377 0.781 20 5 FCBDMM O=C(COc1ccccc1[N+](=O)[O-])NCc1nc(-c2nnn[n-]2)cs1 ZINC001606579390 1288394093 /nfs/dbraw/zinc/39/40/93/1288394093.db2.gz JHXRAQIIALIHGC-UHFFFAOYSA-N -1 1 361.343 0.927 20 5 FCBDMM O=C(COc1ccccc1[N+](=O)[O-])NCc1nc(-c2nn[n-]n2)cs1 ZINC001606579390 1288394100 /nfs/dbraw/zinc/39/41/00/1288394100.db2.gz JHXRAQIIALIHGC-UHFFFAOYSA-N -1 1 361.343 0.927 20 5 FCBDMM O=C1[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCCN1CCO ZINC001607037534 1288606731 /nfs/dbraw/zinc/60/67/31/1288606731.db2.gz WVDOEINROPFUBS-ZETCQYMHSA-N -1 1 353.364 0.232 20 5 FCBDMM O=C1[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCCN1CCO ZINC001607037534 1288606735 /nfs/dbraw/zinc/60/67/35/1288606735.db2.gz WVDOEINROPFUBS-ZETCQYMHSA-N -1 1 353.364 0.232 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCCCO2)c1-c1nn[n-]n1 ZINC001607085333 1288654117 /nfs/dbraw/zinc/65/41/17/1288654117.db2.gz PDQLLKBTNLYSST-UHFFFAOYSA-N -1 1 354.348 0.881 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c1-c1nn[n-]n1 ZINC001607085380 1288654375 /nfs/dbraw/zinc/65/43/75/1288654375.db2.gz ROHGCGUNSUCROG-AYMMMOKOSA-N -1 1 350.360 0.852 20 5 FCBDMM Cc1c(NC(=O)C(=O)N2CCNC[C@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] 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CC[C@@H]1CN(CC[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CCO1 ZINC000487363213 490708498 /nfs/dbraw/zinc/70/84/98/490708498.db2.gz IRYNNGLXWWJOEM-LLVKDONJSA-N -1 1 361.424 0.200 20 5 FCBDMM O=C(NCCc1nnnn1-c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000513863721 490752197 /nfs/dbraw/zinc/75/21/97/490752197.db2.gz LGIMLCNVZABVNO-UHFFFAOYSA-N -1 1 355.314 0.644 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCCCS2(=O)=O)c([N+](=O)[O-])n1 ZINC000541311386 490857586 /nfs/dbraw/zinc/85/75/86/490857586.db2.gz KAYFRTBOIGZJDD-VIFPVBQESA-N -1 1 366.421 0.057 20 5 FCBDMM COCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])CC2 ZINC000531556057 490964163 /nfs/dbraw/zinc/96/41/63/490964163.db2.gz JINWNGSPKPGPHS-SECBINFHSA-N -1 1 368.375 0.021 20 5 FCBDMM COc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1[N-]S(C)(=O)=O ZINC000519618238 490979781 /nfs/dbraw/zinc/97/97/81/490979781.db2.gz WOOXLRCPAWWRDY-UHFFFAOYSA-N -1 1 355.332 0.950 20 5 FCBDMM CNC(=O)Cn1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000603983190 492048496 /nfs/dbraw/zinc/04/84/96/492048496.db2.gz ZWYMSVRHTQILSE-UHFFFAOYSA-N -1 1 355.332 0.044 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]Cc2nnc3ccc(C)cn32)c([N+](=O)[O-])n1 ZINC000598736527 492116248 /nfs/dbraw/zinc/11/62/48/492116248.db2.gz XOICIGGHBFYNAH-UHFFFAOYSA-N -1 1 365.375 0.641 20 5 FCBDMM COC(=O)C[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000599461447 492176159 /nfs/dbraw/zinc/17/61/59/492176159.db2.gz FFIZDEKTXXQESA-SSDOTTSWSA-N -1 1 352.752 0.451 20 5 FCBDMM O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCc1nn[n-]n1 ZINC000609496774 492210757 /nfs/dbraw/zinc/21/07/57/492210757.db2.gz RJKQQOZSXPQLJL-UHFFFAOYSA-N -1 1 367.391 0.895 20 5 FCBDMM C[C@@H]1C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C(=O)N1c1cnn(C)c1 ZINC000618379275 492227027 /nfs/dbraw/zinc/22/70/27/492227027.db2.gz IIAJCQFBXZNJHL-LDYMZIIASA-N -1 1 360.330 0.353 20 5 FCBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000610263748 492240699 /nfs/dbraw/zinc/24/06/99/492240699.db2.gz LCJZHFRERFNVSV-LBPRGKRZSA-N -1 1 356.404 0.915 20 5 FCBDMM CS(=O)(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610264709 492241051 /nfs/dbraw/zinc/24/10/51/492241051.db2.gz JCHFXAAQZLLLMB-UWVGGRQHSA-N -1 1 363.417 0.624 20 5 FCBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-] ZINC000619467905 492264514 /nfs/dbraw/zinc/26/45/14/492264514.db2.gz MFBKGRGTRJKSJH-UHFFFAOYSA-N -1 1 356.316 0.836 20 5 FCBDMM CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000048440463 674351630 /nfs/dbraw/zinc/35/16/30/674351630.db2.gz DUSUKAWURCUKIX-ZCFIWIBFSA-N -1 1 366.193 0.770 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000549909951 547018049 /nfs/dbraw/zinc/01/80/49/547018049.db2.gz OIZXKPZXDGNYMU-NSHDSACASA-N -1 1 358.351 0.962 20 5 FCBDMM C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)[C@H]1CCCO1 ZINC000824641150 607583593 /nfs/dbraw/zinc/58/35/93/607583593.db2.gz SEFJQQVMOXDLAG-PSASIEDQSA-N -1 1 368.375 0.621 20 5 FCBDMM CNC(=O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038039703 674512885 /nfs/dbraw/zinc/51/28/85/674512885.db2.gz KJQPKLGUKPJVSO-UHFFFAOYSA-N -1 1 352.166 0.382 20 5 FCBDMM CCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825486443 607595263 /nfs/dbraw/zinc/59/52/63/607595263.db2.gz SMRFPGFFFOXZSZ-SSDOTTSWSA-N -1 1 370.347 0.005 20 5 FCBDMM CC[C@H](C)[C@@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825059766 607637246 /nfs/dbraw/zinc/63/72/46/607637246.db2.gz KHQSKXFJZFSWHY-WPRPVWTQSA-N -1 1 370.391 0.460 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCOC2CCC2)c1-c1nn[n-]n1 ZINC000826499881 607655892 /nfs/dbraw/zinc/65/58/92/607655892.db2.gz CKFPUPLABMIBMI-UHFFFAOYSA-N -1 1 368.375 0.622 20 5 FCBDMM O=C([C@@H]1CCCO1)N1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000822916820 606644416 /nfs/dbraw/zinc/64/44/16/606644416.db2.gz FELFDVOVWUGZCB-AWEZNQCLSA-N -1 1 373.373 0.603 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(Cc2cscn2)CC1 ZINC000823620931 606701968 /nfs/dbraw/zinc/70/19/68/606701968.db2.gz SWYZMUIKGRQFMQ-UHFFFAOYSA-N -1 1 373.402 0.949 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(Cc2cscn2)CC1 ZINC000823620931 606701970 /nfs/dbraw/zinc/70/19/70/606701970.db2.gz SWYZMUIKGRQFMQ-UHFFFAOYSA-N -1 1 373.402 0.949 20 5 FCBDMM Cc1cnn(C[C@H]2CN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CCO2)c1 ZINC000822403751 606708898 /nfs/dbraw/zinc/70/88/98/606708898.db2.gz SYPJYVZPGOYQPY-LLVKDONJSA-N -1 1 371.361 0.580 20 5 FCBDMM Cc1cnn(C[C@H]2CN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CCO2)c1 ZINC000822403751 606708900 /nfs/dbraw/zinc/70/89/00/606708900.db2.gz SYPJYVZPGOYQPY-LLVKDONJSA-N -1 1 371.361 0.580 20 5 FCBDMM Cn1cc(C[C@@H]2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)cn1 ZINC000822674042 606715244 /nfs/dbraw/zinc/71/52/44/606715244.db2.gz KBKVSJLGXPHCFW-JTQLQIEISA-N -1 1 355.362 0.972 20 5 FCBDMM Cn1cc(C[C@@H]2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)cn1 ZINC000822674042 606715246 /nfs/dbraw/zinc/71/52/46/606715246.db2.gz KBKVSJLGXPHCFW-JTQLQIEISA-N -1 1 355.362 0.972 20 5 FCBDMM COCc1nc2n(n1)C[C@@H](Nc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC000821696589 606719677 /nfs/dbraw/zinc/71/96/77/606719677.db2.gz IRFCGBVIOALXQM-QMMMGPOBSA-N -1 1 372.349 0.335 20 5 FCBDMM COCc1nc2n(n1)C[C@@H](Nc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC000821696589 606719678 /nfs/dbraw/zinc/71/96/78/606719678.db2.gz IRFCGBVIOALXQM-QMMMGPOBSA-N -1 1 372.349 0.335 20 5 FCBDMM CN(C[C@H]1CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821597699 606736767 /nfs/dbraw/zinc/73/67/67/606736767.db2.gz DBTXBXCYDDTQLZ-SECBINFHSA-N -1 1 368.375 0.432 20 5 FCBDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ncccc1[N+](=O)[O-] ZINC000820804110 606807399 /nfs/dbraw/zinc/80/73/99/606807399.db2.gz MQPHPPOCQAJACU-SNVBAGLBSA-N -1 1 368.361 0.675 20 5 FCBDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ncccc1[N+](=O)[O-] ZINC000820804110 606807400 /nfs/dbraw/zinc/80/74/00/606807400.db2.gz MQPHPPOCQAJACU-SNVBAGLBSA-N -1 1 368.361 0.675 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(c2ncccn2)CC1 ZINC000823621172 607161955 /nfs/dbraw/zinc/16/19/55/607161955.db2.gz XTBSCDTXEDDVPA-UHFFFAOYSA-N -1 1 354.334 0.287 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(c2ncccn2)CC1 ZINC000823621172 607161957 /nfs/dbraw/zinc/16/19/57/607161957.db2.gz XTBSCDTXEDDVPA-UHFFFAOYSA-N -1 1 354.334 0.287 20 5 FCBDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000823131255 607223439 /nfs/dbraw/zinc/22/34/39/607223439.db2.gz DLIQKLIZAJXQSZ-UHFFFAOYSA-N -1 1 363.725 0.336 20 5 FCBDMM O=c1c(-c2nn[n-]n2)cn(CCn2cc([N+](=O)[O-])cn2)c2ccccc12 ZINC000823657759 607237644 /nfs/dbraw/zinc/23/76/44/607237644.db2.gz UGUFPUBHPJFYPW-UHFFFAOYSA-N -1 1 352.314 0.987 20 5 FCBDMM O=[N+]([O-])c1cc(N2CCO[C@H](Cn3cccn3)C2)ccc1-c1nn[n-]n1 ZINC000826498524 607842386 /nfs/dbraw/zinc/84/23/86/607842386.db2.gz YTMXEPSYWVHZLO-LBPRGKRZSA-N -1 1 356.346 0.877 20 5 FCBDMM CC[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@H]1O ZINC000825211043 608026399 /nfs/dbraw/zinc/02/63/99/608026399.db2.gz KMFNRGFYSUEDPR-PSASIEDQSA-N -1 1 368.375 0.166 20 5 FCBDMM CN(CC(C)(C)O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825897680 608110977 /nfs/dbraw/zinc/11/09/77/608110977.db2.gz LHTUVSKPKZZZGY-UHFFFAOYSA-N -1 1 356.364 0.166 20 5 FCBDMM CN(C[C@H](O)C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825902359 608442143 /nfs/dbraw/zinc/44/21/43/608442143.db2.gz RZOQDGQTUFTSNZ-JTQLQIEISA-N -1 1 368.375 0.166 20 5 FCBDMM C[C@@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000824891958 608756822 /nfs/dbraw/zinc/75/68/22/608756822.db2.gz CWRUAQUVSXHIAQ-RKDXNWHRSA-N -1 1 368.375 0.621 20 5 FCBDMM C[C@H]1OCC[C@]1(C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825014330 609611842 /nfs/dbraw/zinc/61/18/42/609611842.db2.gz VQYVQVRGRDCWEB-OQPBUACISA-N -1 1 368.375 0.621 20 5 FCBDMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCc1ccc([N+](=O)[O-])cc1 ZINC000912535596 666452101 /nfs/dbraw/zinc/45/21/01/666452101.db2.gz WENZLRGRBLSMTF-UHFFFAOYSA-N -1 1 354.344 0.626 20 5 FCBDMM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(N)=O ZINC000757745871 666627062 /nfs/dbraw/zinc/62/70/62/666627062.db2.gz SUIYYMVOJPNKPS-BYPYZUCNSA-N -1 1 370.156 0.649 20 5 FCBDMM CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732835107 666903072 /nfs/dbraw/zinc/90/30/72/666903072.db2.gz VOLIUDOWYHJSIX-SECBINFHSA-N -1 1 362.264 0.931 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCN(C(=O)OC)C2)c([N+](=O)[O-])n1 ZINC000754802622 667611125 /nfs/dbraw/zinc/61/11/25/667611125.db2.gz HDOCBRIGIGVHPJ-VIFPVBQESA-N -1 1 361.380 0.320 20 5 FCBDMM COCc1nc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000761876152 667896554 /nfs/dbraw/zinc/89/65/54/667896554.db2.gz LFBUHAKGJCTTJC-UHFFFAOYSA-N -1 1 351.344 0.908 20 5 FCBDMM O=C(CCCCc1cn[nH]n1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000774093745 668125414 /nfs/dbraw/zinc/12/54/14/668125414.db2.gz HFSSRTTTYHQWOA-UHFFFAOYSA-N -1 1 359.389 0.992 20 5 FCBDMM COC(=O)c1cc(NC(=O)NN2CC(=O)[N-]C2=O)c(C)c([N+](=O)[O-])c1 ZINC000772463270 668309632 /nfs/dbraw/zinc/30/96/32/668309632.db2.gz RLNQCFZOOOIWLU-UHFFFAOYSA-N -1 1 351.275 0.278 20 5 FCBDMM Cn1cc(S(=O)(=O)NCCOC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC000780076145 668455011 /nfs/dbraw/zinc/45/50/11/668455011.db2.gz RTFMEAUFNNZKQK-UHFFFAOYSA-N -1 1 370.343 0.169 20 5 FCBDMM Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799021902 669275929 /nfs/dbraw/zinc/27/59/29/669275929.db2.gz TXSZGEFLMILLCG-UHFFFAOYSA-N -1 1 363.296 0.859 20 5 FCBDMM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(N)=O ZINC000809828553 669642011 /nfs/dbraw/zinc/64/20/11/669642011.db2.gz NUXBUGGRLJGBDF-ZETCQYMHSA-N -1 1 372.186 0.680 20 5 FCBDMM CNC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809831019 669642571 /nfs/dbraw/zinc/64/25/71/669642571.db2.gz MZSQCZQHDLUOSS-ZETCQYMHSA-N -1 1 372.186 0.287 20 5 FCBDMM CCOCCS(=O)(=O)[N-]Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000812815041 669816723 /nfs/dbraw/zinc/81/67/23/669816723.db2.gz VYRMNQLYZKBDDT-UHFFFAOYSA-N -1 1 350.397 0.513 20 5 FCBDMM CS(=O)(=O)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814992730 669894826 /nfs/dbraw/zinc/89/48/26/669894826.db2.gz ROXVKUGRJQVDDS-UHFFFAOYSA-N -1 1 360.772 0.710 20 5 FCBDMM COC(=O)C[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000859344055 671817947 /nfs/dbraw/zinc/81/79/47/671817947.db2.gz OYSJTNWWKUZYMK-ZCFIWIBFSA-N -1 1 370.742 0.590 20 5 FCBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000819619417 1203165934 /nfs/dbraw/zinc/16/59/34/1203165934.db2.gz AMWPKSLLZRZAKV-UHFFFAOYSA-N -1 1 362.346 0.630 20 5 FCBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000780068730 1218164707 /nfs/dbraw/zinc/16/47/07/1218164707.db2.gz NNDDMRCGYKXLLN-UWVGGRQHSA-N -1 1 365.342 0.570 20 5 FCBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000780068733 1218164834 /nfs/dbraw/zinc/16/48/34/1218164834.db2.gz NNDDMRCGYKXLLN-VHSXEESVSA-N -1 1 365.342 0.570 20 5 FCBDMM CC(=O)N1CCC(NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000780076205 1218191724 /nfs/dbraw/zinc/19/17/24/1218191724.db2.gz SPEVSSICMBKKNK-UHFFFAOYSA-N -1 1 365.342 0.584 20 5 FCBDMM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cc(=O)[n-]c(N2CCOCC2)n1 ZINC001226722224 1225853068 /nfs/dbraw/zinc/85/30/68/1225853068.db2.gz MHVBRTUUWUZFMX-JTQLQIEISA-N -1 1 364.362 0.899 20 5 FCBDMM O=C([O-])[C@]1(N2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)CCOC1 ZINC001329121455 1265697732 /nfs/dbraw/zinc/69/77/32/1265697732.db2.gz ZKDCTMBVESPGNJ-KRWDZBQOSA-N -1 1 365.386 0.835 20 5 FCBDMM O=C(COC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[N-]C(=O)c1ccccc1 ZINC001322856621 1264283550 /nfs/dbraw/zinc/28/35/50/1264283550.db2.gz IAFDPMXQFMSLKZ-UHFFFAOYSA-N -1 1 359.294 0.256 20 5 FCBDMM O=C(Nc1cn[nH]c1)[C@H]1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001582649961 1281842391 /nfs/dbraw/zinc/84/23/91/1281842391.db2.gz KAXXUIYIASUFOJ-VIFPVBQESA-N -1 1 369.345 0.963 20 5 FCBDMM O=C(Nc1cn[nH]c1)[C@H]1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001582649961 1281842398 /nfs/dbraw/zinc/84/23/98/1281842398.db2.gz KAXXUIYIASUFOJ-VIFPVBQESA-N -1 1 369.345 0.963 20 5 FCBDMM O=C1NCCN1C1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001582788117 1282004488 /nfs/dbraw/zinc/00/44/88/1282004488.db2.gz YHCLELYWDNXNCT-UHFFFAOYSA-N -1 1 358.362 0.769 20 5 FCBDMM O=C1NCCN1C1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001582788117 1282004497 /nfs/dbraw/zinc/00/44/97/1282004497.db2.gz YHCLELYWDNXNCT-UHFFFAOYSA-N -1 1 358.362 0.769 20 5 FCBDMM C[C@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)n1cnc(-c2nn[n-]n2)n1 ZINC001588942076 1282737036 /nfs/dbraw/zinc/73/70/36/1282737036.db2.gz VVZWBWZGOIIVIN-SNVBAGLBSA-N -1 1 371.361 0.629 20 5 FCBDMM C[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])n1cnc(-c2nn[n-]n2)n1 ZINC001588991138 1282757663 /nfs/dbraw/zinc/75/76/63/1282757663.db2.gz BLPHHMWKJPZPDY-SECBINFHSA-N -1 1 372.349 0.156 20 5 FCBDMM CC(C)N1C(=O)C[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1=O ZINC001589709607 1282953886 /nfs/dbraw/zinc/95/38/86/1282953886.db2.gz OOAMMTIWEFGVRK-LURJTMIESA-N -1 1 351.348 0.784 20 5 FCBDMM CC(C)N1C(=O)C[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1=O ZINC001589709607 1282953891 /nfs/dbraw/zinc/95/38/91/1282953891.db2.gz OOAMMTIWEFGVRK-LURJTMIESA-N -1 1 351.348 0.784 20 5 FCBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O ZINC001589757614 1282982536 /nfs/dbraw/zinc/98/25/36/1282982536.db2.gz GLSWPFZOLAQTLL-UHFFFAOYSA-N -1 1 373.329 0.873 20 5 FCBDMM C[C@@H](CN1CCOCC1)N(C)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589847518 1283080304 /nfs/dbraw/zinc/08/03/04/1283080304.db2.gz IPKSKSOECGHGKW-VIFPVBQESA-N -1 1 353.408 0.993 20 5 FCBDMM C[C@@H](CN1CCOCC1)N(C)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589847518 1283080311 /nfs/dbraw/zinc/08/03/11/1283080311.db2.gz IPKSKSOECGHGKW-VIFPVBQESA-N -1 1 353.408 0.993 20 5 FCBDMM C[C@@H](O)CN(C)c1cc(-c2nnn[n-]2)c([N+](=O)[O-])c(N(C)C[C@H](C)O)c1 ZINC001590000694 1283168008 /nfs/dbraw/zinc/16/80/08/1283168008.db2.gz PERWETJQMJVRSA-ZJUUUORDSA-N -1 1 365.394 0.409 20 5 FCBDMM C[C@@H](O)CN(C)c1cc(-c2nn[n-]n2)c([N+](=O)[O-])c(N(C)C[C@H](C)O)c1 ZINC001590000694 1283168010 /nfs/dbraw/zinc/16/80/10/1283168010.db2.gz PERWETJQMJVRSA-ZJUUUORDSA-N -1 1 365.394 0.409 20 5 FCBDMM CC1(C)[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C[C@@H]1O ZINC001590077802 1283204794 /nfs/dbraw/zinc/20/47/94/1283204794.db2.gz PJWGMHIJIQTMLW-MNOVXSKESA-N -1 1 368.375 0.213 20 5 FCBDMM CC1(C)[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)C[C@@H]1O ZINC001590077802 1283204798 /nfs/dbraw/zinc/20/47/98/1283204798.db2.gz PJWGMHIJIQTMLW-MNOVXSKESA-N -1 1 368.375 0.213 20 5 FCBDMM CC1(C)[C@H](O)C[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590077806 1283206157 /nfs/dbraw/zinc/20/61/57/1283206157.db2.gz PJWGMHIJIQTMLW-WDEREUQCSA-N -1 1 368.375 0.213 20 5 FCBDMM CC1(C)[C@H](O)C[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590077806 1283206162 /nfs/dbraw/zinc/20/61/62/1283206162.db2.gz PJWGMHIJIQTMLW-WDEREUQCSA-N -1 1 368.375 0.213 20 5 FCBDMM C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC[C@H]1O ZINC001590312987 1283457998 /nfs/dbraw/zinc/45/79/98/1283457998.db2.gz NNJDLOAPGMOBEZ-PSASIEDQSA-N -1 1 368.375 0.166 20 5 FCBDMM C[C@@H]1SCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001590339834 1283488030 /nfs/dbraw/zinc/48/80/30/1283488030.db2.gz YUGHQIFEUVLNLB-YUMQZZPRSA-N -1 1 370.416 0.947 20 5 FCBDMM CCCN(CCO)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590627123 1283667260 /nfs/dbraw/zinc/66/72/60/1283667260.db2.gz FZTRXEUBOCZREV-UHFFFAOYSA-N -1 1 356.364 0.168 20 5 FCBDMM CCCN(CCO)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590627123 1283667277 /nfs/dbraw/zinc/66/72/77/1283667277.db2.gz FZTRXEUBOCZREV-UHFFFAOYSA-N -1 1 356.364 0.168 20 5 FCBDMM CCN1C(=O)[C@@H]2CN(c3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])CCN2C1=O ZINC001590727308 1283752235 /nfs/dbraw/zinc/75/22/35/1283752235.db2.gz CGZIVFFYXARBMS-NSHDSACASA-N -1 1 372.345 0.248 20 5 FCBDMM CCN1C(=O)[C@@H]2CN(c3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])CCN2C1=O ZINC001590727308 1283752241 /nfs/dbraw/zinc/75/22/41/1283752241.db2.gz CGZIVFFYXARBMS-NSHDSACASA-N -1 1 372.345 0.248 20 5 FCBDMM CCNS(=O)(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590745509 1283797795 /nfs/dbraw/zinc/79/77/95/1283797795.db2.gz WZYMNVNLYXIMGA-SNVBAGLBSA-N -1 1 367.391 0.293 20 5 FCBDMM CCNS(=O)(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590745509 1283797802 /nfs/dbraw/zinc/79/78/02/1283797802.db2.gz WZYMNVNLYXIMGA-SNVBAGLBSA-N -1 1 367.391 0.293 20 5 FCBDMM CCn1cc([N+](=O)[O-])c(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)n1 ZINC001604606231 1287680834 /nfs/dbraw/zinc/68/08/34/1287680834.db2.gz CCYBDAFPOIWBAK-UHFFFAOYSA-N -1 1 369.345 0.979 20 5 FCBDMM COC(=O)[C@H]1C[C@H](O)CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001591248277 1284401419 /nfs/dbraw/zinc/40/14/19/1284401419.db2.gz LCSKFRCSRNBYCD-BQBZGAKWSA-N -1 1 354.348 0.197 20 5 FCBDMM COC(=O)[C@H]1C[C@H](O)CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001591248277 1284401424 /nfs/dbraw/zinc/40/14/24/1284401424.db2.gz LCSKFRCSRNBYCD-BQBZGAKWSA-N -1 1 354.348 0.197 20 5 FCBDMM COC(=O)c1ccc2[nH]c(Cn3cc([N+](=O)[O-])c(-c4nn[n-]n4)n3)nc2c1 ZINC001591299484 1284453125 /nfs/dbraw/zinc/45/31/25/1284453125.db2.gz YUSSOIDZXWXMLV-UHFFFAOYSA-N -1 1 369.301 0.683 20 5 FCBDMM COC(=O)c1cn(CCNc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)nn1 ZINC001591305587 1284454752 /nfs/dbraw/zinc/45/47/52/1284454752.db2.gz BIBJHFBJDWRBRG-UHFFFAOYSA-N -1 1 373.333 0.574 20 5 FCBDMM COC(=O)c1cn(CCNc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)nn1 ZINC001591305587 1284454755 /nfs/dbraw/zinc/45/47/55/1284454755.db2.gz BIBJHFBJDWRBRG-UHFFFAOYSA-N -1 1 373.333 0.574 20 5 FCBDMM COCC(=O)NC1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001591366447 1284506444 /nfs/dbraw/zinc/50/64/44/1284506444.db2.gz OKLWTIBNDWJEGE-UHFFFAOYSA-N -1 1 361.362 0.506 20 5 FCBDMM COCC(=O)NC1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001591366447 1284506449 /nfs/dbraw/zinc/50/64/49/1284506449.db2.gz OKLWTIBNDWJEGE-UHFFFAOYSA-N -1 1 361.362 0.506 20 5 FCBDMM COCCCCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001591412059 1284558926 /nfs/dbraw/zinc/55/89/26/1284558926.db2.gz XGLBMUROHQZLHH-UHFFFAOYSA-N -1 1 370.391 0.822 20 5 FCBDMM COCCOC1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001591433914 1284584305 /nfs/dbraw/zinc/58/43/05/1284584305.db2.gz MFUCGXYOTPPPPT-UHFFFAOYSA-N -1 1 363.378 0.989 20 5 FCBDMM COCCOC1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001591433914 1284584310 /nfs/dbraw/zinc/58/43/10/1284584310.db2.gz MFUCGXYOTPPPPT-UHFFFAOYSA-N -1 1 363.378 0.989 20 5 FCBDMM CS(=O)(=O)N1CC(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001591680437 1284820634 /nfs/dbraw/zinc/82/06/34/1284820634.db2.gz MNWBJHGJFGZMLI-UHFFFAOYSA-N -1 1 353.364 0.078 20 5 FCBDMM CS(=O)(=O)N1CC(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001591679983 1284821872 /nfs/dbraw/zinc/82/18/72/1284821872.db2.gz BJYRHOROPCBTBS-UHFFFAOYSA-N -1 1 359.393 0.140 20 5 FCBDMM CS(=O)(=O)N1CC(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001591679983 1284821882 /nfs/dbraw/zinc/82/18/82/1284821882.db2.gz BJYRHOROPCBTBS-UHFFFAOYSA-N -1 1 359.393 0.140 20 5 FCBDMM C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C[C@H](C)O1 ZINC001591773432 1284893941 /nfs/dbraw/zinc/89/39/41/1284893941.db2.gz NSLADVOPNWLFFB-DTORHVGOSA-N -1 1 368.375 0.573 20 5 FCBDMM C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)C[C@H](C)O1 ZINC001591773432 1284893951 /nfs/dbraw/zinc/89/39/51/1284893951.db2.gz NSLADVOPNWLFFB-DTORHVGOSA-N -1 1 368.375 0.573 20 5 FCBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(-c2nn[nH]n2)cnn1C ZINC001592068506 1285107943 /nfs/dbraw/zinc/10/79/43/1285107943.db2.gz JEGULAGSTMWYOQ-UHFFFAOYSA-N -1 1 364.347 0.618 20 5 FCBDMM Cc1ccc(CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)c(=O)n1C ZINC001592166808 1285168067 /nfs/dbraw/zinc/16/80/67/1285168067.db2.gz IYRMGDMXKLOPGX-UHFFFAOYSA-N -1 1 356.346 0.976 20 5 FCBDMM Cc1ccc(CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)c(=O)n1C ZINC001592166808 1285168076 /nfs/dbraw/zinc/16/80/76/1285168076.db2.gz IYRMGDMXKLOPGX-UHFFFAOYSA-N -1 1 356.346 0.976 20 5 FCBDMM Cn1cc([N+](=O)[O-])c(N2CCN(c3ccsc3-c3nn[n-]n3)CC2)n1 ZINC001592577731 1285495961 /nfs/dbraw/zinc/49/59/61/1285495961.db2.gz PRBXUXWOBCNDRG-UHFFFAOYSA-N -1 1 361.391 0.897 20 5 FCBDMM Cn1nccc1Cn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001592607990 1285551060 /nfs/dbraw/zinc/55/10/60/1285551060.db2.gz ZBZJQSYDAPLTGI-UHFFFAOYSA-N -1 1 352.314 0.872 20 5 FCBDMM Nc1cc(N2CCN3C(=O)OCC[C@@H]3C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759478 1285681292 /nfs/dbraw/zinc/68/12/92/1285681292.db2.gz CEGVGHZBWAMDFN-MRVPVSSYSA-N -1 1 360.334 0.388 20 5 FCBDMM Nc1cc(N2CCN3C(=O)OCC[C@@H]3C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759478 1285681301 /nfs/dbraw/zinc/68/13/01/1285681301.db2.gz CEGVGHZBWAMDFN-MRVPVSSYSA-N -1 1 360.334 0.388 20 5 FCBDMM Nc1cc(N2CCC3(CNC(=O)O3)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760473 1285682361 /nfs/dbraw/zinc/68/23/61/1285682361.db2.gz ZOHZNUWUYIXOHL-UHFFFAOYSA-N -1 1 360.334 0.436 20 5 FCBDMM Nc1cc(N2CCC3(CNC(=O)O3)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760473 1285682367 /nfs/dbraw/zinc/68/23/67/1285682367.db2.gz ZOHZNUWUYIXOHL-UHFFFAOYSA-N -1 1 360.334 0.436 20 5 FCBDMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21)N1CCC1 ZINC001592935844 1285823496 /nfs/dbraw/zinc/82/34/96/1285823496.db2.gz CZWWQGQYGQFLFT-UHFFFAOYSA-N -1 1 355.314 0.322 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)c1ccc2c(c1)OCCO2 ZINC001592937629 1285828919 /nfs/dbraw/zinc/82/89/19/1285828919.db2.gz HZQDHZPPCFUSGW-UHFFFAOYSA-N -1 1 357.286 0.626 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCO[C@@H](Cn2ccnn2)C1 ZINC001593465925 1286170575 /nfs/dbraw/zinc/17/05/75/1286170575.db2.gz JVCFLYZQIWLIAX-SNVBAGLBSA-N -1 1 357.334 0.272 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCO[C@@H](Cn2ccnn2)C1 ZINC001593465925 1286170579 /nfs/dbraw/zinc/17/05/79/1286170579.db2.gz JVCFLYZQIWLIAX-SNVBAGLBSA-N -1 1 357.334 0.272 20 5 FCBDMM O=[N+]([O-])c1cnc(N2CCN(c3ccsc3-c3nn[n-]n3)CC2)nc1 ZINC001593486481 1286176151 /nfs/dbraw/zinc/17/61/51/1286176151.db2.gz VCSXQTHMWQTYFN-UHFFFAOYSA-N -1 1 359.375 0.953 20 5 FCBDMM O=[N+]([O-])c1ccccc1OC[C@H](O)COc1cccnc1-c1nnn[n-]1 ZINC001593487485 1286176564 /nfs/dbraw/zinc/17/65/64/1286176564.db2.gz YWKSMENNSOENCQ-JTQLQIEISA-N -1 1 358.314 0.989 20 5 FCBDMM O=[N+]([O-])c1ccccc1OC[C@H](O)COc1cccnc1-c1nn[n-]n1 ZINC001593487485 1286176570 /nfs/dbraw/zinc/17/65/70/1286176570.db2.gz YWKSMENNSOENCQ-JTQLQIEISA-N -1 1 358.314 0.989 20 5 FCBDMM O=c1[nH]c(=O)n(C2CN(c3c(F)cccc3[N+](=O)[O-])C2)cc1-c1nn[n-]n1 ZINC001593488413 1286177908 /nfs/dbraw/zinc/17/79/08/1286177908.db2.gz LMAZOEXIMUKGCN-UHFFFAOYSA-N -1 1 374.292 0.238 20 5 FCBDMM CNS(=O)(=O)C[C@H]1CCCN1c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609290120 1289057542 /nfs/dbraw/zinc/05/75/42/1289057542.db2.gz ODWKEGQKGVTVAX-SECBINFHSA-N -1 1 367.391 0.293 20 5 FCBDMM CNS(=O)(=O)C[C@H]1CCCN1c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609290120 1289057543 /nfs/dbraw/zinc/05/75/43/1289057543.db2.gz ODWKEGQKGVTVAX-SECBINFHSA-N -1 1 367.391 0.293 20 5 FCBDMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001601342646 1286731786 /nfs/dbraw/zinc/73/17/86/1286731786.db2.gz NKBNDAYKGHXMOI-NSHDSACASA-N -1 1 352.278 0.648 20 5 FCBDMM C[C@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001603004354 1287178514 /nfs/dbraw/zinc/17/85/14/1287178514.db2.gz DZDPQCKHOSZVRQ-SECBINFHSA-N -1 1 371.361 0.979 20 5 FCBDMM C[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001603015908 1287185315 /nfs/dbraw/zinc/18/53/15/1287185315.db2.gz DESBEDMVIHINAT-SECBINFHSA-N -1 1 372.349 0.156 20 5 FCBDMM C[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)n1cnc(-c2nn[n-]n2)n1 ZINC001603036013 1287194832 /nfs/dbraw/zinc/19/48/32/1287194832.db2.gz AUAVMZOGPYLRQI-SSDOTTSWSA-N -1 1 362.281 0.810 20 5 FCBDMM COCC(C)(C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001605044128 1287850516 /nfs/dbraw/zinc/85/05/16/1287850516.db2.gz OLTVIPLAEJNCSQ-UHFFFAOYSA-N -1 1 370.391 0.726 20 5 FCBDMM O=C(CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])NCC(F)(F)F ZINC001606556157 1288383714 /nfs/dbraw/zinc/38/37/14/1288383714.db2.gz SHMNRRSRDBLQSN-UHFFFAOYSA-N -1 1 351.270 0.927 20 5 FCBDMM O=C(CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])NCC(F)(F)F ZINC001606556157 1288383718 /nfs/dbraw/zinc/38/37/18/1288383718.db2.gz SHMNRRSRDBLQSN-UHFFFAOYSA-N -1 1 351.270 0.927 20 5 FCBDMM Cn1nc2c(cc1=O)CN(c1ccc(-c3nn[n-]n3)c([N+](=O)[O-])c1)CC2 ZINC001609482376 1289175874 /nfs/dbraw/zinc/17/58/74/1289175874.db2.gz YKGWMKNIUFWNPG-UHFFFAOYSA-N -1 1 354.330 0.431 20 5 FCBDMM O=C(COC(=O)c1ccnc(-c2nnn[n-]2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC001606563558 1288386922 /nfs/dbraw/zinc/38/69/22/1288386922.db2.gz MMTTUQQHOVBUHH-UHFFFAOYSA-N -1 1 369.297 0.965 20 5 FCBDMM O=C(COC(=O)c1ccnc(-c2nn[n-]n2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC001606563558 1288386926 /nfs/dbraw/zinc/38/69/26/1288386926.db2.gz MMTTUQQHOVBUHH-UHFFFAOYSA-N -1 1 369.297 0.965 20 5 FCBDMM O=CN1CCc2cc(C(=O)Cn3cc([N+](=O)[O-])c(-c4nn[n-]n4)n3)ccc21 ZINC001607055670 1288625634 /nfs/dbraw/zinc/62/56/34/1288625634.db2.gz AJUMUKYZLVBXOL-UHFFFAOYSA-N -1 1 368.313 0.373 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)N2CCC3(COC3)C2)c1 ZINC001607079568 1288650402 /nfs/dbraw/zinc/65/04/02/1288650402.db2.gz JTCFRADOCVSANM-UHFFFAOYSA-N -1 1 366.359 0.186 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)N2CCC3(COC3)C2)c1 ZINC001607079568 1288650407 /nfs/dbraw/zinc/65/04/07/1288650407.db2.gz JTCFRADOCVSANM-UHFFFAOYSA-N -1 1 366.359 0.186 20 5 FCBDMM COc1cc([N+](=O)[O-])ccc1CNC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001607191184 1288681929 /nfs/dbraw/zinc/68/19/29/1288681929.db2.gz IUVAPPUTVTYRQB-UHFFFAOYSA-N -1 1 358.372 0.725 20 5 FCBDMM Cc1c(NC(=O)C(=O)N2CCN[C@@H](C)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607534665 1288724463 /nfs/dbraw/zinc/72/44/63/1288724463.db2.gz DIXUEDHXOUWYFZ-QMMMGPOBSA-N -1 1 350.331 0.360 20 5 FCBDMM CC(C)(CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)[C@]1(O)CCOC1 ZINC001609084360 1288909462 /nfs/dbraw/zinc/90/94/62/1288909462.db2.gz WZFCUWYYMGMGPK-HNNXBMFYSA-N -1 1 363.378 0.947 20 5 FCBDMM CC(C)(CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)[C@]1(O)CCOC1 ZINC001609084360 1288909466 /nfs/dbraw/zinc/90/94/66/1288909466.db2.gz WZFCUWYYMGMGPK-HNNXBMFYSA-N -1 1 363.378 0.947 20 5 FCBDMM CC(C)[C@H](CO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001609087779 1288913554 /nfs/dbraw/zinc/91/35/54/1288913554.db2.gz FMPPAQFYSKACDA-VIFPVBQESA-N -1 1 370.391 0.318 20 5 FCBDMM CC(C)OC[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001609101249 1288920120 /nfs/dbraw/zinc/92/01/20/1288920120.db2.gz CEEYBOPEDBJWAX-LLVKDONJSA-N -1 1 363.378 0.987 20 5 FCBDMM CC(C)OC[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001609101249 1288920125 /nfs/dbraw/zinc/92/01/25/1288920125.db2.gz CEEYBOPEDBJWAX-LLVKDONJSA-N -1 1 363.378 0.987 20 5 FCBDMM CC[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC001609202223 1288985633 /nfs/dbraw/zinc/98/56/33/1288985633.db2.gz CESWGWLWNBXMPC-ZUZCIYMTSA-N -1 1 361.362 0.944 20 5 FCBDMM CC[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC001609202223 1288985634 /nfs/dbraw/zinc/98/56/34/1288985634.db2.gz CESWGWLWNBXMPC-ZUZCIYMTSA-N -1 1 361.362 0.944 20 5 FCBDMM CCNC(=O)CN1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001609229205 1289002876 /nfs/dbraw/zinc/00/28/76/1289002876.db2.gz LBIOAKRTQIZXAH-UHFFFAOYSA-N -1 1 360.378 0.033 20 5 FCBDMM CCNC(=O)CN1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001609229205 1289002886 /nfs/dbraw/zinc/00/28/86/1289002886.db2.gz LBIOAKRTQIZXAH-UHFFFAOYSA-N -1 1 360.378 0.033 20 5 FCBDMM Nc1cc(N2CCC[C@H](N3CCCC3=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609510897 1289190261 /nfs/dbraw/zinc/19/02/61/1289190261.db2.gz MXBCBYSDNBEJBQ-JTQLQIEISA-N -1 1 372.389 0.948 20 5 FCBDMM Nc1cc(N2CCC[C@H](N3CCCC3=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609510897 1289190262 /nfs/dbraw/zinc/19/02/62/1289190262.db2.gz MXBCBYSDNBEJBQ-JTQLQIEISA-N -1 1 372.389 0.948 20 5 FCBDMM C[C@@H]1CCN(CCNS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001609859852 1289313841 /nfs/dbraw/zinc/31/38/41/1289313841.db2.gz YHBGHYGNYIRYQP-SNVBAGLBSA-N -1 1 357.388 0.913 20 5 FCBDMM COC(=O)c1cc(S(=O)(=O)N(C)CCc2ccccc2[N+](=O)[O-])[n-]n1 ZINC001309485931 866816779 /nfs/dbraw/zinc/81/67/79/866816779.db2.gz KOGOLQDFZWPPRV-UHFFFAOYSA-N -1 1 368.371 0.968 20 5 FCBDMM COC(=O)c1cc(S(=O)(=O)N(C)CCc2ccccc2[N+](=O)[O-])n[n-]1 ZINC001309485931 866816798 /nfs/dbraw/zinc/81/67/98/866816798.db2.gz KOGOLQDFZWPPRV-UHFFFAOYSA-N -1 1 368.371 0.968 20 5 FCBDMM CC[C@@H]1COCCN1CC[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC001309823894 866913003 /nfs/dbraw/zinc/91/30/03/866913003.db2.gz CNCNHOLTJZKIBS-LLVKDONJSA-N -1 1 361.424 0.200 20 5 FCBDMM O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001324722743 869659689 /nfs/dbraw/zinc/65/96/89/869659689.db2.gz CXRZGPZCEUVEAU-QMMMGPOBSA-N -1 1 364.284 0.103 20 5 FCBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)n1 ZINC001594548451 955699541 /nfs/dbraw/zinc/69/95/41/955699541.db2.gz MJASMVRBNWJVAI-JTQLQIEISA-N -1 1 358.307 0.572 20 5 FCBDMM C[C@@H]1CN(CCO)CCN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594531742 986125017 /nfs/dbraw/zinc/12/50/17/986125017.db2.gz NGBVANRBCLQJSO-GFCCVEGCSA-N -1 1 353.375 0.557 20 5 FCBDMM COc1ccc(NC(=O)[C@H](C)N[C@H]2CCO[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC001599591304 993686832 /nfs/dbraw/zinc/68/68/32/993686832.db2.gz ZPDWLDOBLXJMMS-LJUAHTATSA-N -1 1 353.331 0.762 20 5 FCBDMM CNc1nccc(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC001598682205 994946446 /nfs/dbraw/zinc/94/64/46/994946446.db2.gz ZKSHRBLGCMZEPY-UHFFFAOYSA-N -1 1 351.363 0.653 20 5 FCBDMM C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCN1CCC(=O)[O-] ZINC001594469075 999698246 /nfs/dbraw/zinc/69/82/46/999698246.db2.gz SMWPIVZJKHMYSJ-LBPRGKRZSA-N -1 1 351.359 0.981 20 5 FCBDMM CN1CC[C@@H](N2CCC(NC(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)C1=O ZINC000332383772 215140454 /nfs/dbraw/zinc/14/04/54/215140454.db2.gz IBKCLVBKJMBESD-CQSZACIVSA-N -1 1 362.386 0.725 20 5 FCBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000366993319 216059488 /nfs/dbraw/zinc/05/94/88/216059488.db2.gz CACDIYMTEVAMBQ-JSGCOSHPSA-N -1 1 369.399 0.825 20 5 FCBDMM COC[C@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000234808475 209340804 /nfs/dbraw/zinc/34/08/04/209340804.db2.gz FGNJNIZPHYQQAK-QMMMGPOBSA-N -1 1 369.193 0.643 20 5 FCBDMM CCc1[nH]nc(C(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)c1[N+](=O)[O-] ZINC000271266173 211367373 /nfs/dbraw/zinc/36/73/73/211367373.db2.gz ILDBHSQSPBLDFO-LLVKDONJSA-N -1 1 372.341 0.883 20 5 FCBDMM Cn1cc([C@@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000269883181 211107846 /nfs/dbraw/zinc/10/78/46/211107846.db2.gz 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ZINC000824641151 607583497 /nfs/dbraw/zinc/58/34/97/607583497.db2.gz SEFJQQVMOXDLAG-SCZZXKLOSA-N -1 1 368.375 0.621 20 5 FCBDMM C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)[C@H]1CCCO1 ZINC000824641152 607583608 /nfs/dbraw/zinc/58/36/08/607583608.db2.gz SEFJQQVMOXDLAG-WCBMZHEXSA-N -1 1 368.375 0.621 20 5 FCBDMM CC[C@H](CCO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825114222 607667896 /nfs/dbraw/zinc/66/78/96/607667896.db2.gz LPKUTZQVABCKTM-SECBINFHSA-N -1 1 370.391 0.462 20 5 FCBDMM CCN1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])[C@@H](C)C1 ZINC000833655914 605397968 /nfs/dbraw/zinc/39/79/68/605397968.db2.gz HLCJNSHBJKGOIC-CABZTGNLSA-N -1 1 357.388 0.912 20 5 FCBDMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc([N+](=O)[O-])cc2F)c1=O ZINC000821565187 606170794 /nfs/dbraw/zinc/17/07/94/606170794.db2.gz HUDZEJZZAQZSFE-UHFFFAOYSA-N -1 1 361.293 0.306 20 5 FCBDMM CCc1nn(CCn2ccc([N+](=O)[O-])n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821517067 606329897 /nfs/dbraw/zinc/32/98/97/606329897.db2.gz GBORECIISYUUOL-UHFFFAOYSA-N -1 1 359.350 0.353 20 5 FCBDMM CCS(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000821442915 606645552 /nfs/dbraw/zinc/64/55/52/606645552.db2.gz XEXSVMSYFNILRP-UHFFFAOYSA-N -1 1 367.391 0.247 20 5 FCBDMM CN(Cc1cccc(C(N)=O)c1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821613180 606701490 /nfs/dbraw/zinc/70/14/90/606701490.db2.gz AOWWNQQGGJPOQH-UHFFFAOYSA-N -1 1 354.330 0.905 20 5 FCBDMM CN(Cc1cccc(C(N)=O)c1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821613180 606701492 /nfs/dbraw/zinc/70/14/92/606701492.db2.gz AOWWNQQGGJPOQH-UHFFFAOYSA-N -1 1 354.330 0.905 20 5 FCBDMM C[C@@H]1CSCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820813842 606734482 /nfs/dbraw/zinc/73/44/82/606734482.db2.gz NUIZHNCVXRGNAR-MRVPVSSYSA-N -1 1 370.416 0.901 20 5 FCBDMM O=C(C1CC1)N1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000822912021 607166090 /nfs/dbraw/zinc/16/60/90/607166090.db2.gz JDUQJHXCAGSXTH-UHFFFAOYSA-N -1 1 358.362 0.983 20 5 FCBDMM O=C(C1CC1)N1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000822912021 607166092 /nfs/dbraw/zinc/16/60/92/607166092.db2.gz JDUQJHXCAGSXTH-UHFFFAOYSA-N -1 1 358.362 0.983 20 5 FCBDMM CS(=O)(=O)N1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821933248 607166108 /nfs/dbraw/zinc/16/61/08/607166108.db2.gz YLMRQMFURGTKQB-UHFFFAOYSA-N -1 1 368.379 0.006 20 5 FCBDMM CS(=O)(=O)N1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821933248 607166110 /nfs/dbraw/zinc/16/61/10/607166110.db2.gz YLMRQMFURGTKQB-UHFFFAOYSA-N -1 1 368.379 0.006 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(CC(F)(F)F)CC1 ZINC000823620495 607166754 /nfs/dbraw/zinc/16/67/54/607166754.db2.gz LWGKASFVPLSIAY-UHFFFAOYSA-N -1 1 358.284 0.854 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(CC(F)(F)F)CC1 ZINC000823620495 607166757 /nfs/dbraw/zinc/16/67/57/607166757.db2.gz LWGKASFVPLSIAY-UHFFFAOYSA-N -1 1 358.284 0.854 20 5 FCBDMM CC(C)C(=O)NC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820012023 607168285 /nfs/dbraw/zinc/16/82/85/607168285.db2.gz RRJSPTASXMJTGM-UHFFFAOYSA-N -1 1 360.378 0.911 20 5 FCBDMM CC(C)C(=O)NC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820012023 607168286 /nfs/dbraw/zinc/16/82/86/607168286.db2.gz RRJSPTASXMJTGM-UHFFFAOYSA-N -1 1 360.378 0.911 20 5 FCBDMM Cn1ccnc1CN1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000826364474 607842068 /nfs/dbraw/zinc/84/20/68/607842068.db2.gz XMDUMCBFMNCEJA-UHFFFAOYSA-N -1 1 369.389 0.831 20 5 FCBDMM Cn1ccnc1CN1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000826364474 607842069 /nfs/dbraw/zinc/84/20/69/607842069.db2.gz XMDUMCBFMNCEJA-UHFFFAOYSA-N -1 1 369.389 0.831 20 5 FCBDMM O=[N+]([O-])c1cc(N2CCO[C@@H](Cn3cccn3)C2)ccc1-c1nn[n-]n1 ZINC000826498523 607842374 /nfs/dbraw/zinc/84/23/74/607842374.db2.gz YTMXEPSYWVHZLO-GFCCVEGCSA-N -1 1 356.346 0.877 20 5 FCBDMM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC000826499047 608436140 /nfs/dbraw/zinc/43/61/40/608436140.db2.gz TWWRPFRAIYXPOG-VIFPVBQESA-N -1 1 354.334 0.651 20 5 FCBDMM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC000826499047 608436142 /nfs/dbraw/zinc/43/61/42/608436142.db2.gz TWWRPFRAIYXPOG-VIFPVBQESA-N -1 1 354.334 0.651 20 5 FCBDMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826395122 609435743 /nfs/dbraw/zinc/43/57/43/609435743.db2.gz NSFCGANFHADAPW-LLVKDONJSA-N -1 1 369.301 0.387 20 5 FCBDMM Cc1onc(CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1-c1nnn[n-]1 ZINC000826345629 609470890 /nfs/dbraw/zinc/47/08/90/609470890.db2.gz POOOPZXOKGMVMW-UHFFFAOYSA-N -1 1 370.329 0.594 20 5 FCBDMM Cc1onc(CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1-c1nn[n-]n1 ZINC000826345629 609470892 /nfs/dbraw/zinc/47/08/92/609470892.db2.gz POOOPZXOKGMVMW-UHFFFAOYSA-N -1 1 370.329 0.594 20 5 FCBDMM C[C@H](O)[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824686889 609582369 /nfs/dbraw/zinc/58/23/69/609582369.db2.gz CYDHXGQBBXSFJM-IUCAKERBSA-N -1 1 368.375 0.166 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCOCC2(CCOCC2)C1 ZINC000826497261 609608133 /nfs/dbraw/zinc/60/81/33/609608133.db2.gz AAUASOKBZIWXNB-UHFFFAOYSA-N -1 1 361.362 0.803 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCOCC2(CCOCC2)C1 ZINC000826497261 609608134 /nfs/dbraw/zinc/60/81/34/609608134.db2.gz AAUASOKBZIWXNB-UHFFFAOYSA-N -1 1 361.362 0.803 20 5 FCBDMM CN(C)C(=O)Cn1cnc([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2F)n1 ZINC000126289001 664910320 /nfs/dbraw/zinc/91/03/20/664910320.db2.gz YEEXSGBOEIGSOZ-UHFFFAOYSA-N -1 1 354.273 0.805 20 5 FCBDMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCNc1ccccc1[N+](=O)[O-] ZINC000912529616 666450358 /nfs/dbraw/zinc/45/03/58/666450358.db2.gz DBNNKMOTSKIBFG-UHFFFAOYSA-N -1 1 369.359 0.495 20 5 FCBDMM Cc1cc(F)cc(C(=O)[N-]c2ncn(CC(=O)N(C)C)n2)c1[N+](=O)[O-] ZINC000150897732 666468769 /nfs/dbraw/zinc/46/87/69/666468769.db2.gz MWZQKRSBBYKFQX-UHFFFAOYSA-N -1 1 350.310 0.974 20 5 FCBDMM C[N-]S(=O)(=O)c1cc(C(=O)OCCn2c(C)ncc2[N+](=O)[O-])co1 ZINC000756520270 667677469 /nfs/dbraw/zinc/67/74/69/667677469.db2.gz MSDNDVAFYBUXQH-UHFFFAOYSA-N -1 1 358.332 0.458 20 5 FCBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCS(=O)(=O)C1CC1 ZINC000841559079 667719342 /nfs/dbraw/zinc/71/93/42/667719342.db2.gz AEUPLNZQWLYFPK-UHFFFAOYSA-N -1 1 352.365 0.589 20 5 FCBDMM Cc1cc(S(=O)(=O)[N-]C(=O)CCc2nc[nH]n2)cc([N+](=O)[O-])c1C ZINC000759817029 667822713 /nfs/dbraw/zinc/82/27/13/667822713.db2.gz OGNCZCYPDGGCFF-UHFFFAOYSA-N -1 1 353.360 0.767 20 5 FCBDMM C[C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000761954908 667898959 /nfs/dbraw/zinc/89/89/59/667898959.db2.gz ADVHPWAETAKPFI-MRVPVSSYSA-N -1 1 354.381 0.835 20 5 FCBDMM O=C(COc1cccc([N+](=O)[O-])c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773153817 668076067 /nfs/dbraw/zinc/07/60/67/668076067.db2.gz RBHWMUAJCJKVRJ-NSHDSACASA-N -1 1 350.360 0.803 20 5 FCBDMM NC(=O)COc1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768844382 668101078 /nfs/dbraw/zinc/10/10/78/668101078.db2.gz RLKBOYLFVOWISS-UHFFFAOYSA-N -1 1 371.396 0.999 20 5 FCBDMM Cc1cc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc([N+](=O)[O-])c1F ZINC000776437869 668262281 /nfs/dbraw/zinc/26/22/81/668262281.db2.gz OCMSWYBWYQLPLV-JTQLQIEISA-N -1 1 372.334 0.740 20 5 FCBDMM C[C@H](C[C@H](C)O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824699040 669408503 /nfs/dbraw/zinc/40/85/03/669408503.db2.gz PRODGZKUQOPWLT-SFYZADRCSA-N -1 1 356.364 0.213 20 5 FCBDMM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(N)=O ZINC000815029159 669896057 /nfs/dbraw/zinc/89/60/57/669896057.db2.gz KVRLMHPGVXWKAI-ZETCQYMHSA-N -1 1 355.731 0.166 20 5 FCBDMM Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000833004853 669929793 /nfs/dbraw/zinc/92/97/93/669929793.db2.gz JLPWKFNOTPUMPC-NSHDSACASA-N -1 1 353.379 0.497 20 5 FCBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCc2nnnn2CC1 ZINC000817155868 670002684 /nfs/dbraw/zinc/00/26/84/670002684.db2.gz XVGHEVAKQXEYDJ-VIFPVBQESA-N -1 1 372.794 0.918 20 5 FCBDMM CN1C(=O)CC[C@@H]([N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1=O ZINC000848593299 671285004 /nfs/dbraw/zinc/28/50/04/671285004.db2.gz DJTSPCATKMBFBS-SNVBAGLBSA-N -1 1 357.269 0.830 20 5 FCBDMM COC(=O)C[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000859344119 671817964 /nfs/dbraw/zinc/81/79/64/671817964.db2.gz QBZOXXGSUQNBGQ-QMMMGPOBSA-N -1 1 352.752 0.451 20 5 FCBDMM CN(CC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1[N+](=O)[O-] ZINC001152717555 1222956418 /nfs/dbraw/zinc/95/64/18/1222956418.db2.gz TYTGSGRGMOBHML-UHFFFAOYSA-N -1 1 373.369 0.916 20 5 FCBDMM COC(=O)[C@H](Cn1cncn1)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001157279441 1223072929 /nfs/dbraw/zinc/07/29/29/1223072929.db2.gz UMJDMNMXCVSYEF-NSHDSACASA-N -1 1 369.284 0.636 20 5 FCBDMM C[C@@H](O)C[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001575475506 1272144300 /nfs/dbraw/zinc/14/43/00/1272144300.db2.gz WEICMNYFBVRMNR-RKDXNWHRSA-N -1 1 370.391 0.460 20 5 FCBDMM C[C@@H](O)C[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001575475506 1272144306 /nfs/dbraw/zinc/14/43/06/1272144306.db2.gz WEICMNYFBVRMNR-RKDXNWHRSA-N -1 1 370.391 0.460 20 5 FCBDMM C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1)C[C@H](C)O ZINC001575475501 1272144793 /nfs/dbraw/zinc/14/47/93/1272144793.db2.gz WEICMNYFBVRMNR-BDAKNGLRSA-N -1 1 370.391 0.460 20 5 FCBDMM C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1)C[C@H](C)O ZINC001575475501 1272144798 /nfs/dbraw/zinc/14/47/98/1272144798.db2.gz WEICMNYFBVRMNR-BDAKNGLRSA-N -1 1 370.391 0.460 20 5 FCBDMM CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001578397890 1275773775 /nfs/dbraw/zinc/77/37/75/1275773775.db2.gz CHUJFAQJEZQUAG-UHFFFAOYSA-N -1 1 359.306 0.404 20 5 FCBDMM CC(C)(O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001603171263 1287321289 /nfs/dbraw/zinc/32/12/89/1287321289.db2.gz GUHZSVQNWOFIJL-UHFFFAOYSA-N -1 1 356.364 0.214 20 5 FCBDMM CC(C)(O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001603171263 1287321291 /nfs/dbraw/zinc/32/12/91/1287321291.db2.gz GUHZSVQNWOFIJL-UHFFFAOYSA-N -1 1 356.364 0.214 20 5 FCBDMM CCOC[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001609241178 1289014960 /nfs/dbraw/zinc/01/49/60/1289014960.db2.gz DUPIWHFPQFUWRU-QMMMGPOBSA-N -1 1 356.364 0.478 20 5 FCBDMM Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001581550885 1280121944 /nfs/dbraw/zinc/12/19/44/1280121944.db2.gz BRKMUOFJRZLSRO-UHFFFAOYSA-N -1 1 374.365 0.870 20 5 FCBDMM Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001581550885 1280121949 /nfs/dbraw/zinc/12/19/49/1280121949.db2.gz BRKMUOFJRZLSRO-UHFFFAOYSA-N -1 1 374.365 0.870 20 5 FCBDMM C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC[S@](=O)C1 ZINC001603938737 1287540035 /nfs/dbraw/zinc/54/00/35/1287540035.db2.gz GWPSVGUXQDSGME-VPCRFOHKSA-N -1 1 351.392 0.562 20 5 FCBDMM C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC[S@](=O)C1 ZINC001603938737 1287540038 /nfs/dbraw/zinc/54/00/38/1287540038.db2.gz GWPSVGUXQDSGME-VPCRFOHKSA-N -1 1 351.392 0.562 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)NC[C@@H]2CCCCO2)c1 ZINC001582803618 1282030560 /nfs/dbraw/zinc/03/05/60/1282030560.db2.gz NYWORDYXKSNVFQ-JTQLQIEISA-N -1 1 368.375 0.622 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)NC[C@@H]2CCCCO2)c1 ZINC001582803618 1282030566 /nfs/dbraw/zinc/03/05/66/1282030566.db2.gz NYWORDYXKSNVFQ-JTQLQIEISA-N -1 1 368.375 0.622 20 5 FCBDMM C[C@H](CN1CCOCC1)N(C)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589847516 1283079839 /nfs/dbraw/zinc/07/98/39/1283079839.db2.gz IPKSKSOECGHGKW-SECBINFHSA-N -1 1 353.408 0.993 20 5 FCBDMM C[C@H](CN1CCOCC1)N(C)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589847516 1283079853 /nfs/dbraw/zinc/07/98/53/1283079853.db2.gz IPKSKSOECGHGKW-SECBINFHSA-N -1 1 353.408 0.993 20 5 FCBDMM C[C@@H](O)c1cn(C2CN(c3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)nn1 ZINC001590002331 1283172258 /nfs/dbraw/zinc/17/22/58/1283172258.db2.gz AMXHPCHMJGRHGR-MRVPVSSYSA-N -1 1 357.334 0.481 20 5 FCBDMM C[C@@H](O)c1cn(C2CN(c3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)nn1 ZINC001590002331 1283172261 /nfs/dbraw/zinc/17/22/61/1283172261.db2.gz AMXHPCHMJGRHGR-MRVPVSSYSA-N -1 1 357.334 0.481 20 5 FCBDMM CC1(C)[C@H](O)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590077177 1283206139 /nfs/dbraw/zinc/20/61/39/1283206139.db2.gz KVJHYFRWIHJCHQ-LLVKDONJSA-N -1 1 368.375 0.309 20 5 FCBDMM CC1(C)[C@H](O)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590077177 1283206144 /nfs/dbraw/zinc/20/61/44/1283206144.db2.gz KVJHYFRWIHJCHQ-LLVKDONJSA-N -1 1 368.375 0.309 20 5 FCBDMM CC1(C)CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC001590109074 1283220221 /nfs/dbraw/zinc/22/02/21/1283220221.db2.gz OTPDSSWTDJXTOH-HNNXBMFYSA-N -1 1 361.362 0.944 20 5 FCBDMM CC1(C)CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC001590109074 1283220225 /nfs/dbraw/zinc/22/02/25/1283220225.db2.gz OTPDSSWTDJXTOH-HNNXBMFYSA-N -1 1 361.362 0.944 20 5 FCBDMM CC1(C)CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC001590109075 1283220762 /nfs/dbraw/zinc/22/07/62/1283220762.db2.gz OTPDSSWTDJXTOH-OAHLLOKOSA-N -1 1 361.362 0.944 20 5 FCBDMM CC1(C)CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC001590109075 1283220766 /nfs/dbraw/zinc/22/07/66/1283220766.db2.gz OTPDSSWTDJXTOH-OAHLLOKOSA-N -1 1 361.362 0.944 20 5 FCBDMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001590315599 1283457034 /nfs/dbraw/zinc/45/70/34/1283457034.db2.gz NVLPATCJDNCCIR-SECBINFHSA-N -1 1 352.376 0.646 20 5 FCBDMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001590315599 1283457049 /nfs/dbraw/zinc/45/70/49/1283457049.db2.gz NVLPATCJDNCCIR-SECBINFHSA-N -1 1 352.376 0.646 20 5 FCBDMM CCOCCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590812810 1283891279 /nfs/dbraw/zinc/89/12/79/1283891279.db2.gz PHLLEPLWIUSLJQ-UHFFFAOYSA-N -1 1 370.391 0.822 20 5 FCBDMM CCOCCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590812810 1283891287 /nfs/dbraw/zinc/89/12/87/1283891287.db2.gz PHLLEPLWIUSLJQ-UHFFFAOYSA-N -1 1 370.391 0.822 20 5 FCBDMM CCO[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C1 ZINC001590822696 1283904327 /nfs/dbraw/zinc/90/43/27/1283904327.db2.gz JBJPDXFAUZOYNG-JTQLQIEISA-N -1 1 368.375 0.574 20 5 FCBDMM CCO[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)C1 ZINC001590822696 1283904338 /nfs/dbraw/zinc/90/43/38/1283904338.db2.gz JBJPDXFAUZOYNG-JTQLQIEISA-N -1 1 368.375 0.574 20 5 FCBDMM CNS(=O)(=O)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591219069 1284356694 /nfs/dbraw/zinc/35/66/94/1284356694.db2.gz BEDGGDKWNLPCNI-JTQLQIEISA-N -1 1 367.391 0.293 20 5 FCBDMM CNS(=O)(=O)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591219069 1284356702 /nfs/dbraw/zinc/35/67/02/1284356702.db2.gz BEDGGDKWNLPCNI-JTQLQIEISA-N -1 1 367.391 0.293 20 5 FCBDMM CNc1nccc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC001591225447 1284364425 /nfs/dbraw/zinc/36/44/25/1284364425.db2.gz MTYDAZUJJNVSPW-UHFFFAOYSA-N -1 1 355.318 0.537 20 5 FCBDMM CNc1nccc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC001591225447 1284364431 /nfs/dbraw/zinc/36/44/31/1284364431.db2.gz MTYDAZUJJNVSPW-UHFFFAOYSA-N -1 1 355.318 0.537 20 5 FCBDMM COC(=O)[C@]1(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCOC1 ZINC001591241970 1284388845 /nfs/dbraw/zinc/38/88/45/1284388845.db2.gz HDSJGAMIYJPMPJ-LBPRGKRZSA-N -1 1 354.348 0.828 20 5 FCBDMM COC(=O)[C@]1(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCOC1 ZINC001591241970 1284388851 /nfs/dbraw/zinc/38/88/51/1284388851.db2.gz HDSJGAMIYJPMPJ-LBPRGKRZSA-N -1 1 354.348 0.828 20 5 FCBDMM COCCCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591411998 1284559260 /nfs/dbraw/zinc/55/92/60/1284559260.db2.gz WMQVYKSQYYEDOH-UHFFFAOYSA-N -1 1 370.391 0.870 20 5 FCBDMM COCCCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591411998 1284559267 /nfs/dbraw/zinc/55/92/67/1284559267.db2.gz WMQVYKSQYYEDOH-UHFFFAOYSA-N -1 1 370.391 0.870 20 5 FCBDMM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001591950943 1285021082 /nfs/dbraw/zinc/02/10/82/1285021082.db2.gz ZDLHPALNKYGAOW-UHFFFAOYSA-N -1 1 357.334 0.413 20 5 FCBDMM Cc1cc(NCC2(C(N)=O)CCOCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592041656 1285084349 /nfs/dbraw/zinc/08/43/49/1285084349.db2.gz QTTSMPWGEFBSQZ-UHFFFAOYSA-N -1 1 361.362 0.777 20 5 FCBDMM Cc1cc(NCC2(C(N)=O)CCOCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592041656 1285084361 /nfs/dbraw/zinc/08/43/61/1285084361.db2.gz QTTSMPWGEFBSQZ-UHFFFAOYSA-N -1 1 361.362 0.777 20 5 FCBDMM Cc1nnc(N2CCN(c3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)n1C ZINC001592448960 1285385161 /nfs/dbraw/zinc/38/51/61/1285385161.db2.gz WNDIOLCZWNNLLO-UHFFFAOYSA-N -1 1 370.377 0.538 20 5 FCBDMM Cc1nnc(N2CCN(c3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)n1C ZINC001592448960 1285385171 /nfs/dbraw/zinc/38/51/71/1285385171.db2.gz WNDIOLCZWNNLLO-UHFFFAOYSA-N -1 1 370.377 0.538 20 5 FCBDMM CN1C(=O)NC2(CCN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)CC2)C1=O ZINC001604840698 1287793798 /nfs/dbraw/zinc/79/37/98/1287793798.db2.gz OQYRYRILCFRMIR-UHFFFAOYSA-N -1 1 372.345 0.296 20 5 FCBDMM CN1C(=O)NC2(CCN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)CC2)C1=O ZINC001604840698 1287793801 /nfs/dbraw/zinc/79/38/01/1287793801.db2.gz OQYRYRILCFRMIR-UHFFFAOYSA-N -1 1 372.345 0.296 20 5 FCBDMM Nc1cc(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759467 1285680612 /nfs/dbraw/zinc/68/06/12/1285680612.db2.gz BWGFWHARRGEUFW-PELKAZGASA-N -1 1 358.362 0.462 20 5 FCBDMM Nc1cc(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759467 1285680619 /nfs/dbraw/zinc/68/06/19/1285680619.db2.gz BWGFWHARRGEUFW-PELKAZGASA-N -1 1 358.362 0.462 20 5 FCBDMM Nc1cc(N2CC[C@@H](Cn3ccnn3)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759488 1285681097 /nfs/dbraw/zinc/68/10/97/1285681097.db2.gz CKUUYCNHVAXDSG-SECBINFHSA-N -1 1 356.350 0.475 20 5 FCBDMM Nc1cc(N2CC[C@@H](Cn3ccnn3)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759488 1285681104 /nfs/dbraw/zinc/68/11/04/1285681104.db2.gz CKUUYCNHVAXDSG-SECBINFHSA-N -1 1 356.350 0.475 20 5 FCBDMM O=C(CCn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)NCc1ccc(F)cc1 ZINC001592859526 1285762829 /nfs/dbraw/zinc/76/28/29/1285762829.db2.gz MDUHIEKGYSZTKE-UHFFFAOYSA-N -1 1 360.309 0.817 20 5 FCBDMM O=C(CN1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1)NC1CC1 ZINC001592866805 1285774211 /nfs/dbraw/zinc/77/42/11/1285774211.db2.gz QVECLBLLNSXTIK-UHFFFAOYSA-N -1 1 372.389 0.176 20 5 FCBDMM O=C(CN1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1)NC1CC1 ZINC001592866805 1285774218 /nfs/dbraw/zinc/77/42/18/1285774218.db2.gz QVECLBLLNSXTIK-UHFFFAOYSA-N -1 1 372.389 0.176 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)N[C@@H]1CCOc2ccccc21 ZINC001592937432 1285825569 /nfs/dbraw/zinc/82/55/69/1285825569.db2.gz AMTYUFLTJMITRO-SNVBAGLBSA-N -1 1 370.329 0.611 20 5 FCBDMM O=C(NC1CC1)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001592968175 1285851426 /nfs/dbraw/zinc/85/14/26/1285851426.db2.gz YNCIRQBOHSFTPR-JTQLQIEISA-N -1 1 358.362 0.815 20 5 FCBDMM O=[N+]([O-])c1c(N[C@H]2C[C@@H](O)C2)cc(N[C@H]2C[C@@H](O)C2)cc1-c1nnn[n-]1 ZINC001593469605 1286172890 /nfs/dbraw/zinc/17/28/90/1286172890.db2.gz XVQYXOYYCDAKSR-XEJPUVCHSA-N -1 1 361.362 0.645 20 5 FCBDMM O=[N+]([O-])c1c(N[C@H]2C[C@@H](O)C2)cc(N[C@H]2C[C@@H](O)C2)cc1-c1nn[n-]n1 ZINC001593469605 1286172894 /nfs/dbraw/zinc/17/28/94/1286172894.db2.gz XVQYXOYYCDAKSR-XEJPUVCHSA-N -1 1 361.362 0.645 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2cnoc2)c1-c1nn[n-]n1 ZINC001593484630 1286173791 /nfs/dbraw/zinc/17/37/91/1286173791.db2.gz BWSOUHXPOVVOJS-UHFFFAOYSA-N -1 1 365.331 0.284 20 5 FCBDMM COCCN1CCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1=O ZINC001609326574 1289099551 /nfs/dbraw/zinc/09/95/51/1289099551.db2.gz YGFYJEXZPBVDPR-UHFFFAOYSA-N -1 1 361.362 0.460 20 5 FCBDMM COCCN1CCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1=O ZINC001609326574 1289099559 /nfs/dbraw/zinc/09/95/59/1289099559.db2.gz YGFYJEXZPBVDPR-UHFFFAOYSA-N -1 1 361.362 0.460 20 5 FCBDMM O=C([O-])[C@@]1(N2CCN(c3cc(F)c([N+](=O)[O-])cc3CO)CC2)CCOC1 ZINC001601718909 1286815167 /nfs/dbraw/zinc/81/51/67/1286815167.db2.gz GUZNHBAWJZWSQL-MRXNPFEDSA-N -1 1 369.349 0.592 20 5 FCBDMM O=C([O-])C[C@]1(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC001601935191 1286875895 /nfs/dbraw/zinc/87/58/95/1286875895.db2.gz SFAHLZFENOMAKY-CQSZACIVSA-N -1 1 358.372 0.592 20 5 FCBDMM O=C([O-])C[C@@]1(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC001601935190 1286876780 /nfs/dbraw/zinc/87/67/80/1286876780.db2.gz SFAHLZFENOMAKY-AWEZNQCLSA-N -1 1 358.372 0.592 20 5 FCBDMM CS(=O)(=O)[C@@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001605353263 1287933532 /nfs/dbraw/zinc/93/35/32/1287933532.db2.gz XITJYQGQVOBSAS-SECBINFHSA-N -1 1 367.391 0.371 20 5 FCBDMM CS(=O)(=O)[C@@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001605353263 1287933535 /nfs/dbraw/zinc/93/35/35/1287933535.db2.gz XITJYQGQVOBSAS-SECBINFHSA-N -1 1 367.391 0.371 20 5 FCBDMM CS(=O)(=O)N[C@@H]1CCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001605358163 1287936708 /nfs/dbraw/zinc/93/67/08/1287936708.db2.gz JAKOUONBFJUZAF-SSDOTTSWSA-N -1 1 373.420 0.354 20 5 FCBDMM CS(=O)(=O)N[C@@H]1CCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001605358163 1287936719 /nfs/dbraw/zinc/93/67/19/1287936719.db2.gz JAKOUONBFJUZAF-SSDOTTSWSA-N -1 1 373.420 0.354 20 5 FCBDMM O=C(COC(=O)c1ccnc(-c2nnn[n-]2)c1)Nc1ccccc1[N+](=O)[O-] ZINC001606564753 1288387662 /nfs/dbraw/zinc/38/76/62/1288387662.db2.gz WYWCFMLCPBSZDG-UHFFFAOYSA-N -1 1 369.297 0.965 20 5 FCBDMM O=C(COC(=O)c1ccnc(-c2nn[n-]n2)c1)Nc1ccccc1[N+](=O)[O-] ZINC001606564753 1288387666 /nfs/dbraw/zinc/38/76/66/1288387666.db2.gz WYWCFMLCPBSZDG-UHFFFAOYSA-N -1 1 369.297 0.965 20 5 FCBDMM O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606802941 1288525083 /nfs/dbraw/zinc/52/50/83/1288525083.db2.gz XWOJSEDPCQIDHL-UHFFFAOYSA-N -1 1 364.272 0.680 20 5 FCBDMM O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606802941 1288525085 /nfs/dbraw/zinc/52/50/85/1288525085.db2.gz XWOJSEDPCQIDHL-UHFFFAOYSA-N -1 1 364.272 0.680 20 5 FCBDMM O=C1NC2(CO1)CCN(c1cc(-c3nnn[n-]3)sc1[N+](=O)[O-])CC2 ZINC001607048467 1288617156 /nfs/dbraw/zinc/61/71/56/1288617156.db2.gz NLNFVALMPSJJGA-UHFFFAOYSA-N -1 1 351.348 0.915 20 5 FCBDMM O=C1NC2(CO1)CCN(c1cc(-c3nn[n-]n3)sc1[N+](=O)[O-])CC2 ZINC001607048467 1288617159 /nfs/dbraw/zinc/61/71/59/1288617159.db2.gz NLNFVALMPSJJGA-UHFFFAOYSA-N -1 1 351.348 0.915 20 5 FCBDMM O=C1NCCN1[C@@H]1CCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001607052385 1288621893 /nfs/dbraw/zinc/62/18/93/1288621893.db2.gz IORMTIKTOFIOIH-MRVPVSSYSA-N -1 1 364.391 0.830 20 5 FCBDMM O=C1NCCN1[C@@H]1CCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001607052385 1288621901 /nfs/dbraw/zinc/62/19/01/1288621901.db2.gz IORMTIKTOFIOIH-MRVPVSSYSA-N -1 1 364.391 0.830 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)NC[C@H]2CC[C@@H](O)C2)c1 ZINC001607080264 1288649869 /nfs/dbraw/zinc/64/98/69/1288649869.db2.gz QYJLOXGCNXFBCV-WCBMZHEXSA-N -1 1 368.375 0.214 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)NC[C@H]2CC[C@@H](O)C2)c1 ZINC001607080264 1288649872 /nfs/dbraw/zinc/64/98/72/1288649872.db2.gz QYJLOXGCNXFBCV-WCBMZHEXSA-N -1 1 368.375 0.214 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1-c1nnn[n-]1 ZINC001607082254 1288651566 /nfs/dbraw/zinc/65/15/66/1288651566.db2.gz VIEWVQCGCHMNCR-MNOVXSKESA-N -1 1 364.387 0.931 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1-c1nn[n-]n1 ZINC001607082254 1288651568 /nfs/dbraw/zinc/65/15/68/1288651568.db2.gz VIEWVQCGCHMNCR-MNOVXSKESA-N -1 1 364.387 0.931 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCO[C@H](CF)C2)c1-c1nn[n-]n1 ZINC001607085546 1288654131 /nfs/dbraw/zinc/65/41/31/1288654131.db2.gz VEVQRFUTADMLPA-MRVPVSSYSA-N -1 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O=c1[nH]cccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000823647117 607155930 /nfs/dbraw/zinc/15/59/30/607155930.db2.gz GEHFJJNRYAWXJD-UHFFFAOYSA-N -1 1 363.315 0.676 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CCO[C@H](Cn3cccn3)C2)cc1-c1nnn[n-]1 ZINC000826498823 607842413 /nfs/dbraw/zinc/84/24/13/607842413.db2.gz LFJQBZLDVKPWCT-LBPRGKRZSA-N -1 1 356.346 0.877 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CCO[C@H](Cn3cccn3)C2)cc1-c1nn[n-]n1 ZINC000826498823 607842414 /nfs/dbraw/zinc/84/24/14/607842414.db2.gz LFJQBZLDVKPWCT-LBPRGKRZSA-N -1 1 356.346 0.877 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]2O)c1-c1nn[n-]n1 ZINC000826500103 607937851 /nfs/dbraw/zinc/93/78/51/607937851.db2.gz LBOJAZPCYYRAQR-WPRPVWTQSA-N -1 1 368.375 0.214 20 5 FCBDMM CC[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@@H]1O ZINC000825211046 608026474 /nfs/dbraw/zinc/02/64/74/608026474.db2.gz KMFNRGFYSUEDPR-WPRPVWTQSA-N -1 1 368.375 0.166 20 5 FCBDMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(Cl)c([N+](=O)[O-])c2)c1=O ZINC000826356658 608095760 /nfs/dbraw/zinc/09/57/60/608095760.db2.gz ABQMWUYSVUGRDL-UHFFFAOYSA-N -1 1 363.721 0.337 20 5 FCBDMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(Cl)cc2[N+](=O)[O-])c1=O ZINC000826356686 608096549 /nfs/dbraw/zinc/09/65/49/608096549.db2.gz AWJYWNSZYXCUKF-UHFFFAOYSA-N -1 1 363.721 0.337 20 5 FCBDMM O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826498300 608393993 /nfs/dbraw/zinc/39/39/93/608393993.db2.gz OTQOGSSHUOCAHQ-WCQYABFASA-N -1 1 358.318 0.071 20 5 FCBDMM O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826498300 608393995 /nfs/dbraw/zinc/39/39/95/608393995.db2.gz OTQOGSSHUOCAHQ-WCQYABFASA-N -1 1 358.318 0.071 20 5 FCBDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000825934741 608556714 /nfs/dbraw/zinc/55/67/14/608556714.db2.gz RGLIWCUOBQNWID-UHFFFAOYSA-N -1 1 360.338 0.113 20 5 FCBDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000825934741 608556716 /nfs/dbraw/zinc/55/67/16/608556716.db2.gz RGLIWCUOBQNWID-UHFFFAOYSA-N -1 1 360.338 0.113 20 5 FCBDMM NC(=O)c1cccc(CSc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC000826393943 609580246 /nfs/dbraw/zinc/58/02/46/609580246.db2.gz QGRZGTPJIOBSFV-UHFFFAOYSA-N -1 1 358.343 0.956 20 5 FCBDMM NC(=O)c1cccc(CSc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC000826393943 609580248 /nfs/dbraw/zinc/58/02/48/609580248.db2.gz QGRZGTPJIOBSFV-UHFFFAOYSA-N -1 1 358.343 0.956 20 5 FCBDMM O=C(Nc1nnn[n-]1)c1cc([N+](=O)[O-])ccc1I ZINC000709826564 667792218 /nfs/dbraw/zinc/79/22/18/667792218.db2.gz HHCRQJSKNDSLBD-UHFFFAOYSA-N -1 1 360.071 0.965 20 5 FCBDMM O=C(Nc1nn[n-]n1)c1cc([N+](=O)[O-])ccc1I ZINC000709826564 667792221 /nfs/dbraw/zinc/79/22/21/667792221.db2.gz HHCRQJSKNDSLBD-UHFFFAOYSA-N -1 1 360.071 0.965 20 5 FCBDMM COC(=O)c1cc(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])oc1C ZINC000759167104 667796154 /nfs/dbraw/zinc/79/61/54/667796154.db2.gz DQLIDYJJOHSECO-UHFFFAOYSA-N -1 1 356.316 0.983 20 5 FCBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)Cn1ccnn1 ZINC000841549331 668002900 /nfs/dbraw/zinc/00/29/00/668002900.db2.gz UQKZKBSSMDCANM-SECBINFHSA-N -1 1 361.767 0.179 20 5 FCBDMM Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000776566588 668272754 /nfs/dbraw/zinc/27/27/54/668272754.db2.gz WXDYJEBLPIVFDA-VIFPVBQESA-N -1 1 352.380 0.320 20 5 FCBDMM CCOCCOC[C@H](O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000790946076 668884542 /nfs/dbraw/zinc/88/45/42/668884542.db2.gz SEVFYWOQTNICOY-SNVBAGLBSA-N -1 1 366.367 0.426 20 5 FCBDMM CCNC(=O)NCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000820730675 669119095 /nfs/dbraw/zinc/11/90/95/669119095.db2.gz KYENQJQKLPTGBN-UHFFFAOYSA-N -1 1 350.784 0.846 20 5 FCBDMM O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798148829 669213042 /nfs/dbraw/zinc/21/30/42/669213042.db2.gz TXIVFHAISQXSER-UHFFFAOYSA-N -1 1 352.738 0.885 20 5 FCBDMM COc1cc(S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N(C)C)ccc1[N+](=O)[O-] ZINC000798841293 669265832 /nfs/dbraw/zinc/26/58/32/669265832.db2.gz FZEMURWUBDRHDP-ZDUSSCGKSA-N -1 1 359.404 0.995 20 5 FCBDMM C[C@@H](O)C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824699038 669408450 /nfs/dbraw/zinc/40/84/50/669408450.db2.gz PRODGZKUQOPWLT-JGVFFNPUSA-N -1 1 356.364 0.213 20 5 FCBDMM Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1F ZINC000826834628 669519948 /nfs/dbraw/zinc/51/99/48/669519948.db2.gz VETFFXMDDIZBQN-QMMMGPOBSA-N -1 1 354.273 0.908 20 5 FCBDMM O=C([N-]S(=O)(=O)c1nc(Br)cs1)[C@@H]1CC1[N+](=O)[O-] ZINC000842372777 670679443 /nfs/dbraw/zinc/67/94/43/670679443.db2.gz LRINKDAHDQECAZ-QWWZWVQMSA-N -1 1 356.179 0.376 20 5 FCBDMM CON(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000859404479 671823584 /nfs/dbraw/zinc/82/35/84/671823584.db2.gz GHWRQLOQIZRKCF-ZETCQYMHSA-N -1 1 351.768 0.935 20 5 FCBDMM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cn1 ZINC000800929779 675716613 /nfs/dbraw/zinc/71/66/13/675716613.db2.gz PPGPBCDEYPTQMC-UHFFFAOYSA-N -1 1 358.307 0.904 20 5 FCBDMM COC(=O)c1cc(NC(=O)CCn2cc[n-]c(=O)c2=O)cc([N+](=O)[O-])c1 ZINC000736194760 1197922763 /nfs/dbraw/zinc/92/27/63/1197922763.db2.gz CTSBEIQFIBKWPH-UHFFFAOYSA-N -1 1 362.298 0.260 20 5 FCBDMM CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000816498180 1203069732 /nfs/dbraw/zinc/06/97/32/1203069732.db2.gz JVKZOOCRCSKXLF-UHFFFAOYSA-N -1 1 368.346 0.407 20 5 FCBDMM COC(=O)[C@@H](Cn1cncn1)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001157279440 1223072707 /nfs/dbraw/zinc/07/27/07/1223072707.db2.gz UMJDMNMXCVSYEF-LLVKDONJSA-N -1 1 369.284 0.636 20 5 FCBDMM CCOC(=O)c1cc([N+](=O)[O-])cnc1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001159188654 1223120235 /nfs/dbraw/zinc/12/02/35/1223120235.db2.gz AZHOVOUXBXKLOM-UHFFFAOYSA-N -1 1 361.274 0.939 20 5 FCBDMM CC(C)(CCO)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001573901187 1270926210 /nfs/dbraw/zinc/92/62/10/1270926210.db2.gz SCDIVZJGHKPRHW-UHFFFAOYSA-N -1 1 370.391 0.462 20 5 FCBDMM CC(C)(CCO)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001573901187 1270926213 /nfs/dbraw/zinc/92/62/13/1270926213.db2.gz SCDIVZJGHKPRHW-UHFFFAOYSA-N -1 1 370.391 0.462 20 5 FCBDMM C[C@H]1CSCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001576377150 1273204786 /nfs/dbraw/zinc/20/47/86/1273204786.db2.gz FZZOQVNXJUNQKX-QMMMGPOBSA-N -1 1 370.416 0.901 20 5 FCBDMM C[C@H]1CSCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001576377150 1273204791 /nfs/dbraw/zinc/20/47/91/1273204791.db2.gz FZZOQVNXJUNQKX-QMMMGPOBSA-N -1 1 370.416 0.901 20 5 FCBDMM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001581532159 1280090499 /nfs/dbraw/zinc/09/04/99/1280090499.db2.gz XJAYTYCYTDBMOD-UHFFFAOYSA-N -1 1 374.365 0.870 20 5 FCBDMM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001581532159 1280090505 /nfs/dbraw/zinc/09/05/05/1280090505.db2.gz XJAYTYCYTDBMOD-UHFFFAOYSA-N -1 1 374.365 0.870 20 5 FCBDMM O=C(Nc1cn[nH]c1)[C@@H]1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001582649958 1281842891 /nfs/dbraw/zinc/84/28/91/1281842891.db2.gz KAXXUIYIASUFOJ-SECBINFHSA-N -1 1 369.345 0.963 20 5 FCBDMM O=C(Nc1cn[nH]c1)[C@@H]1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001582649958 1281842893 /nfs/dbraw/zinc/84/28/93/1281842893.db2.gz KAXXUIYIASUFOJ-SECBINFHSA-N -1 1 369.345 0.963 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC(O)(COCCO)CC1 ZINC001582802507 1282028365 /nfs/dbraw/zinc/02/83/65/1282028365.db2.gz XGHRKIQGBLSCQH-UHFFFAOYSA-N -1 1 364.362 0.115 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC(O)(COCCO)CC1 ZINC001582802507 1282028370 /nfs/dbraw/zinc/02/83/70/1282028370.db2.gz XGHRKIQGBLSCQH-UHFFFAOYSA-N -1 1 364.362 0.115 20 5 FCBDMM C[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])n1cnc(-c2nn[n-]n2)n1 ZINC001588991139 1282758647 /nfs/dbraw/zinc/75/86/47/1282758647.db2.gz BLPHHMWKJPZPDY-VIFPVBQESA-N -1 1 372.349 0.156 20 5 FCBDMM CC(C)(CO)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001589295006 1282831309 /nfs/dbraw/zinc/83/13/09/1282831309.db2.gz ZXQAENQSNKDZTD-UHFFFAOYSA-N -1 1 356.364 0.072 20 5 FCBDMM CC(C)(CO)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001589295006 1282831316 /nfs/dbraw/zinc/83/13/16/1282831316.db2.gz ZXQAENQSNKDZTD-UHFFFAOYSA-N -1 1 356.364 0.072 20 5 FCBDMM CC(C)NS(=O)(=O)NCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589729300 1282966823 /nfs/dbraw/zinc/96/68/23/1282966823.db2.gz DLWYJXPLUQXLDK-UHFFFAOYSA-N -1 1 370.395 0.019 20 5 FCBDMM CC(C)NS(=O)(=O)NCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589729300 1282966832 /nfs/dbraw/zinc/96/68/32/1282966832.db2.gz DLWYJXPLUQXLDK-UHFFFAOYSA-N -1 1 370.395 0.019 20 5 FCBDMM CC1(C)[C@H](O)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001590076778 1283206105 /nfs/dbraw/zinc/20/61/05/1283206105.db2.gz GQMMASOHZCTEDT-SNVBAGLBSA-N -1 1 368.375 0.309 20 5 FCBDMM C[C@@H]1CS(=O)(=O)CCCN1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590328703 1283472601 /nfs/dbraw/zinc/47/26/01/1283472601.db2.gz IDKGXXFAKOHXAT-SSDOTTSWSA-N -1 1 358.405 0.850 20 5 FCBDMM C[C@@H]1CS(=O)(=O)CCCN1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590328703 1283472611 /nfs/dbraw/zinc/47/26/11/1283472611.db2.gz IDKGXXFAKOHXAT-SSDOTTSWSA-N -1 1 358.405 0.850 20 5 FCBDMM C[C@H]1CS(=O)(=O)CCCN1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590328704 1283473559 /nfs/dbraw/zinc/47/35/59/1283473559.db2.gz IDKGXXFAKOHXAT-ZETCQYMHSA-N -1 1 358.405 0.850 20 5 FCBDMM C[C@H]1CS(=O)(=O)CCCN1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590328704 1283473561 /nfs/dbraw/zinc/47/35/61/1283473561.db2.gz IDKGXXFAKOHXAT-ZETCQYMHSA-N -1 1 358.405 0.850 20 5 FCBDMM CCS(=O)(=O)C1(CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001604472330 1287645830 /nfs/dbraw/zinc/64/58/30/1287645830.db2.gz DSYXKQITWGLOLH-UHFFFAOYSA-N -1 1 367.391 0.736 20 5 FCBDMM CCS(=O)(=O)C1(CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001604472330 1287645836 /nfs/dbraw/zinc/64/58/36/1287645836.db2.gz DSYXKQITWGLOLH-UHFFFAOYSA-N -1 1 367.391 0.736 20 5 FCBDMM CC[C@H](CCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590440243 1283539817 /nfs/dbraw/zinc/53/98/17/1283539817.db2.gz YTCTVMZXDMDZBG-MRVPVSSYSA-N -1 1 356.364 0.214 20 5 FCBDMM CC[C@H](CCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590440243 1283539825 /nfs/dbraw/zinc/53/98/25/1283539825.db2.gz YTCTVMZXDMDZBG-MRVPVSSYSA-N -1 1 356.364 0.214 20 5 FCBDMM CC[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)OC ZINC001590446040 1283541911 /nfs/dbraw/zinc/54/19/11/1283541911.db2.gz DCXZBBIIHGWHML-MRVPVSSYSA-N -1 1 356.364 0.478 20 5 FCBDMM CCC[C@H](CCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001590557271 1283603779 /nfs/dbraw/zinc/60/37/79/1283603779.db2.gz MENPGYQIPBSCDL-SECBINFHSA-N -1 1 370.391 0.604 20 5 FCBDMM CCN1C(=O)[C@H]2CN(c3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])CCN2C1=O ZINC001590727307 1283751475 /nfs/dbraw/zinc/75/14/75/1283751475.db2.gz CGZIVFFYXARBMS-LLVKDONJSA-N -1 1 372.345 0.248 20 5 FCBDMM CCN1C(=O)[C@H]2CN(c3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])CCN2C1=O ZINC001590727307 1283751486 /nfs/dbraw/zinc/75/14/86/1283751486.db2.gz CGZIVFFYXARBMS-LLVKDONJSA-N -1 1 372.345 0.248 20 5 FCBDMM CN(CC1(O)CCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591049714 1284106623 /nfs/dbraw/zinc/10/66/23/1284106623.db2.gz BJASNSBXVCUMOO-UHFFFAOYSA-N -1 1 368.375 0.310 20 5 FCBDMM CN(CC1(O)CCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591049714 1284106626 /nfs/dbraw/zinc/10/66/26/1284106626.db2.gz BJASNSBXVCUMOO-UHFFFAOYSA-N -1 1 368.375 0.310 20 5 FCBDMM CN1CCn2c(CNc3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])nnc2C1=O ZINC001591196200 1284317704 /nfs/dbraw/zinc/31/77/04/1284317704.db2.gz OSTBTSNEDHRDJA-UHFFFAOYSA-N -1 1 370.333 0.064 20 5 FCBDMM CN1CCn2c(CNc3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])nnc2C1=O ZINC001591196200 1284317711 /nfs/dbraw/zinc/31/77/11/1284317711.db2.gz OSTBTSNEDHRDJA-UHFFFAOYSA-N -1 1 370.333 0.064 20 5 FCBDMM COC(=O)[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[C@H]1CCOC1 ZINC001591232575 1284375296 /nfs/dbraw/zinc/37/52/96/1284375296.db2.gz LJIGZCJDLQLJJK-WCBMZHEXSA-N -1 1 363.334 0.408 20 5 FCBDMM COC(=O)[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[C@H]1CCOC1 ZINC001591232575 1284375304 /nfs/dbraw/zinc/37/53/04/1284375304.db2.gz LJIGZCJDLQLJJK-WCBMZHEXSA-N -1 1 363.334 0.408 20 5 FCBDMM COC(=O)[C@H](O)C1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001591237582 1284382714 /nfs/dbraw/zinc/38/27/14/1284382714.db2.gz MMWSMFRWKUNHFB-SNVBAGLBSA-N -1 1 368.375 0.587 20 5 FCBDMM COC(=O)[C@H](O)C1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001591237582 1284382726 /nfs/dbraw/zinc/38/27/26/1284382726.db2.gz MMWSMFRWKUNHFB-SNVBAGLBSA-N -1 1 368.375 0.587 20 5 FCBDMM COC(=O)[C@@H]1OCC[C@@H]1CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591281891 1284436376 /nfs/dbraw/zinc/43/63/76/1284436376.db2.gz QFINRFKTSLSBGH-HZGVNTEJSA-N -1 1 354.348 0.826 20 5 FCBDMM COC(=O)[C@@H]1OCC[C@@H]1CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591281891 1284436383 /nfs/dbraw/zinc/43/63/83/1284436383.db2.gz QFINRFKTSLSBGH-HZGVNTEJSA-N -1 1 354.348 0.826 20 5 FCBDMM COC(C)(C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591314717 1284464450 /nfs/dbraw/zinc/46/44/50/1284464450.db2.gz QRBSTDWNGYBARZ-UHFFFAOYSA-N -1 1 356.364 0.478 20 5 FCBDMM COC(C)(C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591314717 1284464455 /nfs/dbraw/zinc/46/44/55/1284464455.db2.gz QRBSTDWNGYBARZ-UHFFFAOYSA-N -1 1 356.364 0.478 20 5 FCBDMM COCC(=O)NC1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001591366467 1284505653 /nfs/dbraw/zinc/50/56/53/1284505653.db2.gz SEPJUPTZICQLCY-UHFFFAOYSA-N -1 1 361.362 0.506 20 5 FCBDMM COCC(=O)NC1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001591366467 1284505659 /nfs/dbraw/zinc/50/56/59/1284505659.db2.gz SEPJUPTZICQLCY-UHFFFAOYSA-N -1 1 361.362 0.506 20 5 FCBDMM CS(=O)(=O)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001591672664 1284804449 /nfs/dbraw/zinc/80/44/49/1284804449.db2.gz CFSAAFLEUQVVKW-JTQLQIEISA-N -1 1 352.376 0.788 20 5 FCBDMM CSC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591696875 1284834785 /nfs/dbraw/zinc/83/47/85/1284834785.db2.gz ZTRJLNCUJYCKGL-SSDOTTSWSA-N -1 1 358.405 0.805 20 5 FCBDMM CSC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591696875 1284834794 /nfs/dbraw/zinc/83/47/94/1284834794.db2.gz ZTRJLNCUJYCKGL-SSDOTTSWSA-N -1 1 358.405 0.805 20 5 FCBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC001592197619 1285178865 /nfs/dbraw/zinc/17/88/65/1285178865.db2.gz NSFNYMWXTGTYHR-UHFFFAOYSA-N -1 1 355.314 0.884 20 5 FCBDMM Cc1nccc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)n1 ZINC001592416553 1285340602 /nfs/dbraw/zinc/34/06/02/1285340602.db2.gz GPHXFUCKWQLLIL-UHFFFAOYSA-N -1 1 368.361 0.595 20 5 FCBDMM Cc1nccc(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)n1 ZINC001592416553 1285340615 /nfs/dbraw/zinc/34/06/15/1285340615.db2.gz GPHXFUCKWQLLIL-UHFFFAOYSA-N -1 1 368.361 0.595 20 5 FCBDMM Nc1nsc(N2CCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CC2)n1 ZINC001592766029 1285686222 /nfs/dbraw/zinc/68/62/22/1285686222.db2.gz ZDKVVAWCEKEFCK-UHFFFAOYSA-N -1 1 374.390 0.535 20 5 FCBDMM CN(C)C(=O)O[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001609265135 1289029236 /nfs/dbraw/zinc/02/92/36/1289029236.db2.gz WVTXDUFYYACELU-SECBINFHSA-N -1 1 362.350 0.837 20 5 FCBDMM CN(C)C(=O)O[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001609265135 1289029244 /nfs/dbraw/zinc/02/92/44/1289029244.db2.gz WVTXDUFYYACELU-SECBINFHSA-N -1 1 362.350 0.837 20 5 FCBDMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCNc1ccccc1[N+](=O)[O-] ZINC001592913840 1285808366 /nfs/dbraw/zinc/80/83/66/1285808366.db2.gz KCFRUUPDGPRCAF-UHFFFAOYSA-N -1 1 368.357 0.941 20 5 FCBDMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCNc1ccccc1[N+](=O)[O-] ZINC001592913840 1285808369 /nfs/dbraw/zinc/80/83/69/1285808369.db2.gz KCFRUUPDGPRCAF-UHFFFAOYSA-N -1 1 368.357 0.941 20 5 FCBDMM CN(c1ccn(C)n1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001609282414 1289045373 /nfs/dbraw/zinc/04/53/73/1289045373.db2.gz WZGCTXWVHJUJEK-UHFFFAOYSA-N -1 1 364.347 0.334 20 5 FCBDMM O=C1NC(=O)[C@]2(CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)N1 ZINC001593401165 1286121124 /nfs/dbraw/zinc/12/11/24/1286121124.db2.gz HPQLJJKJLPVEMJ-ANRSDYALSA-N -1 1 372.345 0.565 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCC[C@@H](O)C2CC2)c1-c1nn[n-]n1 ZINC001593485166 1286173962 /nfs/dbraw/zinc/17/39/62/1286173962.db2.gz KWGYURXWVWACGN-SNVBAGLBSA-N -1 1 368.375 0.214 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H](CO)C2CCC2)c1-c1nn[n-]n1 ZINC001593483729 1286174002 /nfs/dbraw/zinc/17/40/02/1286174002.db2.gz FYVNHCUHLFODJV-SECBINFHSA-N -1 1 368.375 0.214 20 5 FCBDMM O=C([O-])[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001601650465 1286800965 /nfs/dbraw/zinc/80/09/65/1286800965.db2.gz CCAHQDJJQHYLQW-RKDXNWHRSA-N -1 1 362.335 0.750 20 5 FCBDMM O=C([O-])CNC(=O)[C@H]1CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001602068787 1286923474 /nfs/dbraw/zinc/92/34/74/1286923474.db2.gz VZDJGGSJLOZXMZ-CYBMUJFWSA-N -1 1 364.358 0.589 20 5 FCBDMM CS(=O)(=O)N1CCC(Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001609367248 1289122666 /nfs/dbraw/zinc/12/26/66/1289122666.db2.gz QVVRHEMESHENRI-UHFFFAOYSA-N -1 1 367.391 0.611 20 5 FCBDMM CS(=O)(=O)N1CCC(Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001609367248 1289122670 /nfs/dbraw/zinc/12/26/70/1289122670.db2.gz QVVRHEMESHENRI-UHFFFAOYSA-N -1 1 367.391 0.611 20 5 FCBDMM CC(=O)N1C[C@H]2CN(Cc3ccc(OCC(=O)[O-])c([N+](=O)[O-])c3)C[C@H]2C1 ZINC001603030254 1287192552 /nfs/dbraw/zinc/19/25/52/1287192552.db2.gz AKZGFSXMZFSGTA-OKILXGFUSA-N -1 1 363.370 0.968 20 5 FCBDMM CNS(=O)(=O)[C@H]1CCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001604895137 1287810773 /nfs/dbraw/zinc/81/07/73/1287810773.db2.gz YGBABCJFIMJKNT-ZETCQYMHSA-N -1 1 373.420 0.354 20 5 FCBDMM CNS(=O)(=O)[C@H]1CCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001604895137 1287810776 /nfs/dbraw/zinc/81/07/76/1287810776.db2.gz YGBABCJFIMJKNT-ZETCQYMHSA-N -1 1 373.420 0.354 20 5 FCBDMM COCc1ccccc1CNC(=O)Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001605133596 1287892371 /nfs/dbraw/zinc/89/23/71/1287892371.db2.gz KNNGWLUBFHWNPZ-UHFFFAOYSA-N -1 1 372.345 0.434 20 5 FCBDMM CS(=O)(=O)C1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCC1 ZINC001605352983 1287933991 /nfs/dbraw/zinc/93/39/91/1287933991.db2.gz YECWOOGCUJWHMY-UHFFFAOYSA-N -1 1 353.364 0.549 20 5 FCBDMM CS(=O)(=O)C1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCC1 ZINC001605352983 1287933995 /nfs/dbraw/zinc/93/39/95/1287933995.db2.gz YECWOOGCUJWHMY-UHFFFAOYSA-N -1 1 353.364 0.549 20 5 FCBDMM Cc1nc(CN2CCN(c3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)no1 ZINC001606042002 1288143918 /nfs/dbraw/zinc/14/39/18/1288143918.db2.gz DQQIRWDNQHMGEV-UHFFFAOYSA-N -1 1 371.361 0.789 20 5 FCBDMM Cc1nc(CN2CCN(c3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)no1 ZINC001606042002 1288143920 /nfs/dbraw/zinc/14/39/20/1288143920.db2.gz DQQIRWDNQHMGEV-UHFFFAOYSA-N -1 1 371.361 0.789 20 5 FCBDMM NC(=O)CCC1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001606412922 1288296719 /nfs/dbraw/zinc/29/67/19/1288296719.db2.gz OFJVXUIYGFMORA-UHFFFAOYSA-N -1 1 360.378 0.839 20 5 FCBDMM NC(=O)CCC1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001606412922 1288296721 /nfs/dbraw/zinc/29/67/21/1288296721.db2.gz OFJVXUIYGFMORA-UHFFFAOYSA-N -1 1 360.378 0.839 20 5 FCBDMM O=C1CCCN1C[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001607043676 1288612330 /nfs/dbraw/zinc/61/23/30/1288612330.db2.gz LXFGINBJXGTNNK-JTQLQIEISA-N -1 1 358.362 0.619 20 5 FCBDMM O=C1CCCN1C[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001607043676 1288612335 /nfs/dbraw/zinc/61/23/35/1288612335.db2.gz LXFGINBJXGTNNK-JTQLQIEISA-N -1 1 358.362 0.619 20 5 FCBDMM COc1cc([N+](=O)[O-])ccc1CN(CCN1CCOCC1)CC(=O)[O-] ZINC001607192061 1288681810 /nfs/dbraw/zinc/68/18/10/1288681810.db2.gz WURLGGVIKSNWMY-UHFFFAOYSA-N -1 1 353.375 0.822 20 5 FCBDMM Cc1sc(C(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])cc1[N+](=O)[O-] ZINC001608059404 1288763855 /nfs/dbraw/zinc/76/38/55/1288763855.db2.gz GILQXHNGEFATHM-UHFFFAOYSA-N -1 1 370.431 0.739 20 5 FCBDMM C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H](C)S1(=O)=O ZINC001609175771 1288969012 /nfs/dbraw/zinc/96/90/12/1288969012.db2.gz XTJFJDBYLPOKIO-IUCAKERBSA-N -1 1 352.376 0.787 20 5 FCBDMM C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@H](C)S1(=O)=O ZINC001609175771 1288969016 /nfs/dbraw/zinc/96/90/16/1288969016.db2.gz XTJFJDBYLPOKIO-IUCAKERBSA-N -1 1 352.376 0.787 20 5 FCBDMM CC[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC001609202814 1288985462 /nfs/dbraw/zinc/98/54/62/1288985462.db2.gz PUHLJKFHWFQKQW-BDAKNGLRSA-N -1 1 367.391 0.572 20 5 FCBDMM CC[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC001609202814 1288985465 /nfs/dbraw/zinc/98/54/65/1288985465.db2.gz PUHLJKFHWFQKQW-BDAKNGLRSA-N -1 1 367.391 0.572 20 5 FCBDMM CC[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC001609202815 1288985607 /nfs/dbraw/zinc/98/56/07/1288985607.db2.gz PUHLJKFHWFQKQW-DTWKUNHWSA-N -1 1 367.391 0.572 20 5 FCBDMM CC[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC001609202815 1288985608 /nfs/dbraw/zinc/98/56/08/1288985608.db2.gz PUHLJKFHWFQKQW-DTWKUNHWSA-N -1 1 367.391 0.572 20 5 FCBDMM Nc1cc(NC[C@@H]2CCCS(=O)(=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609510948 1289190458 /nfs/dbraw/zinc/19/04/58/1289190458.db2.gz PNHPKNVRNGADJT-QMMMGPOBSA-N -1 1 367.391 0.594 20 5 FCBDMM Nc1cc(NC[C@@H]2CCCS(=O)(=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609510948 1289190461 /nfs/dbraw/zinc/19/04/61/1289190461.db2.gz PNHPKNVRNGADJT-QMMMGPOBSA-N -1 1 367.391 0.594 20 5 FCBDMM O=[N+]([O-])c1cccc(N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001609602929 1289258905 /nfs/dbraw/zinc/25/89/05/1289258905.db2.gz PSFGCANCGYJEIK-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1cccc(N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001609602929 1289258910 /nfs/dbraw/zinc/25/89/10/1289258910.db2.gz PSFGCANCGYJEIK-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM CS(=O)(=O)c1ccc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)c([N+](=O)[O-])c1 ZINC001170222917 850647387 /nfs/dbraw/zinc/64/73/87/850647387.db2.gz HZWKMVVCCUBWOM-UHFFFAOYSA-N -1 1 366.315 0.771 20 5 FCBDMM O=[N+]([O-])c1ccc(O)cc1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001225489894 857044919 /nfs/dbraw/zinc/04/49/19/857044919.db2.gz CVFSCSSZBLTLLL-LLVKDONJSA-N -1 1 362.360 0.268 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H]3CCCCN3C2=O)c([N+](=O)[O-])n1 ZINC001309563699 866839693 /nfs/dbraw/zinc/83/96/93/866839693.db2.gz ZMDFRVMNKOFRMS-NXEZZACHSA-N -1 1 357.392 0.243 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)C(=O)NCC(F)(F)F)c([N+](=O)[O-])n1 ZINC001319478249 867929736 /nfs/dbraw/zinc/92/97/36/867929736.db2.gz JHSWYWTYNGCIQF-LURJTMIESA-N -1 1 373.313 0.157 20 5 FCBDMM O=C([O-])CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001326752963 870482994 /nfs/dbraw/zinc/48/29/94/870482994.db2.gz PEFORFKNFHVSGA-UHFFFAOYSA-N -1 1 372.399 0.934 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1nnnn1-c1ccccc1 ZINC000823625108 946458576 /nfs/dbraw/zinc/45/85/76/946458576.db2.gz PDQICLHVVNMGCM-UHFFFAOYSA-N -1 1 365.317 0.758 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1nnnn1-c1ccccc1 ZINC000823625108 946458583 /nfs/dbraw/zinc/45/85/83/946458583.db2.gz PDQICLHVVNMGCM-UHFFFAOYSA-N -1 1 365.317 0.758 20 5 FCBDMM CC(C)[C@@H](O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001574083862 948895668 /nfs/dbraw/zinc/89/56/68/948895668.db2.gz ZDGGHOBTVYQNKK-JTQLQIEISA-N -1 1 370.391 0.460 20 5 FCBDMM CN1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@H](C(=O)[O-])C1 ZINC001598609722 993744218 /nfs/dbraw/zinc/74/42/18/993744218.db2.gz FQPBYOPUJAJJHH-SNVBAGLBSA-N -1 1 365.342 0.454 20 5 FCBDMM COCCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000277671290 212386423 /nfs/dbraw/zinc/38/64/23/212386423.db2.gz ABXVPPGLGHUIRI-NSHDSACASA-N -1 1 373.387 0.361 20 5 FCBDMM NC(=O)c1ccc(N2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)nc1 ZINC000277603969 212378036 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ZFMPRIRDMSLDLF-MFKMUULPSA-N -1 1 366.355 0.899 20 5 FCBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)NCc1ccco1 ZINC000610261882 492240541 /nfs/dbraw/zinc/24/05/41/492240541.db2.gz DZEHTVMTRZKJRH-SECBINFHSA-N -1 1 354.344 0.566 20 5 FCBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000619470206 492264488 /nfs/dbraw/zinc/26/44/88/492264488.db2.gz TXXOMGBDCUPXIY-VIFPVBQESA-N -1 1 370.343 0.301 20 5 FCBDMM COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600464854 492272219 /nfs/dbraw/zinc/27/22/19/492272219.db2.gz ZYUPSIMFWJCVQO-KOLCDFICSA-N -1 1 353.331 0.784 20 5 FCBDMM COc1ccc([N+](=O)[O-])cc1CN(CCN1CCOCC1)CC(=O)[O-] ZINC000738067936 600145451 /nfs/dbraw/zinc/14/54/51/600145451.db2.gz BEYQYXNTCZNKSS-UHFFFAOYSA-N -1 1 353.375 0.822 20 5 FCBDMM C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC000824641153 607583322 /nfs/dbraw/zinc/58/33/22/607583322.db2.gz SEFJQQVMOXDLAG-WPRPVWTQSA-N -1 1 368.375 0.621 20 5 FCBDMM CSC[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826228693 607620167 /nfs/dbraw/zinc/62/01/67/607620167.db2.gz XLIFHBUMBLFGDD-SSDOTTSWSA-N -1 1 358.405 0.805 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(CO)CC2)c1-c1nn[n-]n1 ZINC000826500219 607626121 /nfs/dbraw/zinc/62/61/21/607626121.db2.gz OREUNIFZAGUIMI-UHFFFAOYSA-N -1 1 368.375 0.168 20 5 FCBDMM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)nn1C ZINC000826271379 607664166 /nfs/dbraw/zinc/66/41/66/607664166.db2.gz OQUAYTOYNFRQIW-UHFFFAOYSA-N -1 1 364.347 0.618 20 5 FCBDMM CC(C)(CO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824162798 607675864 /nfs/dbraw/zinc/67/58/64/607675864.db2.gz OLTDKBOXWXPNPH-UHFFFAOYSA-N -1 1 356.364 0.072 20 5 FCBDMM O=C1NCCCN1C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000826482513 607676208 /nfs/dbraw/zinc/67/62/08/607676208.db2.gz HKTWJFWHZYEBFM-UHFFFAOYSA-N -1 1 373.377 0.554 20 5 FCBDMM O=C1NCCCN1C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000826482513 607676209 /nfs/dbraw/zinc/67/62/09/607676209.db2.gz HKTWJFWHZYEBFM-UHFFFAOYSA-N -1 1 373.377 0.554 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H](CCO)C2)c1-c1nn[n-]n1 ZINC000826500428 607677747 /nfs/dbraw/zinc/67/77/47/607677747.db2.gz YGGXRZMECAXXKQ-VIFPVBQESA-N -1 1 368.375 0.168 20 5 FCBDMM C[C@@H](O)CCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824700011 607741842 /nfs/dbraw/zinc/74/18/42/607741842.db2.gz WSPUWCBSQMKDKZ-MRVPVSSYSA-N -1 1 356.364 0.166 20 5 FCBDMM CCS(=O)(=O)N(C)CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821442931 606697832 /nfs/dbraw/zinc/69/78/32/606697832.db2.gz XSFXZOQBIVOSJL-UHFFFAOYSA-N -1 1 370.395 0.253 20 5 FCBDMM CCS(=O)(=O)N(C)CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821442931 606697833 /nfs/dbraw/zinc/69/78/33/606697833.db2.gz XSFXZOQBIVOSJL-UHFFFAOYSA-N -1 1 370.395 0.253 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(c2cccnn2)CC1 ZINC000823620639 606707654 /nfs/dbraw/zinc/70/76/54/606707654.db2.gz NLDCSIBXZSTOPZ-UHFFFAOYSA-N -1 1 354.334 0.287 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(c2cccnn2)CC1 ZINC000823620639 606707655 /nfs/dbraw/zinc/70/76/55/606707655.db2.gz NLDCSIBXZSTOPZ-UHFFFAOYSA-N -1 1 354.334 0.287 20 5 FCBDMM C[C@H](CO)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824436858 607972415 /nfs/dbraw/zinc/97/24/15/607972415.db2.gz WNOOAUBZQSPBAZ-VIFPVBQESA-N -1 1 370.391 0.462 20 5 FCBDMM O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773164030 668077679 /nfs/dbraw/zinc/07/76/79/668077679.db2.gz WNFVKLNEYCDFER-JTQLQIEISA-N -1 1 365.331 0.946 20 5 FCBDMM O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000776468325 668264601 /nfs/dbraw/zinc/26/46/01/668264601.db2.gz AWDAJQWMSSXEDT-CYBMUJFWSA-N -1 1 368.371 0.476 20 5 FCBDMM COC[C@@H](C)NC(=O)NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780072675 668454483 /nfs/dbraw/zinc/45/44/83/668454483.db2.gz RXZYIOJQGSATNK-MRVPVSSYSA-N -1 1 355.303 0.318 20 5 FCBDMM COC(=O)Cn1cc(CCOC(=O)c2cc([O-])cc([N+](=O)[O-])c2)nn1 ZINC000780075797 668454625 /nfs/dbraw/zinc/45/46/25/668454625.db2.gz MSEJXVQEFYYGQQ-UHFFFAOYSA-N -1 1 350.287 0.464 20 5 FCBDMM Nc1nc(Cl)cc(=N[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)[nH]1 ZINC000790397011 668876218 /nfs/dbraw/zinc/87/62/18/668876218.db2.gz FOJSKZXUPAEJHW-UHFFFAOYSA-N -1 1 350.769 0.987 20 5 FCBDMM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798270573 669221477 /nfs/dbraw/zinc/22/14/77/669221477.db2.gz SCNJTLPKPDCVRV-UHFFFAOYSA-N -1 1 366.765 0.814 20 5 FCBDMM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N(C)C)c([N+](=O)[O-])c1 ZINC000798813818 669262494 /nfs/dbraw/zinc/26/24/94/669262494.db2.gz JYZWJYMPTKGPBA-CYBMUJFWSA-N -1 1 359.404 0.995 20 5 FCBDMM Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1F ZINC000826834627 669519843 /nfs/dbraw/zinc/51/98/43/669519843.db2.gz VETFFXMDDIZBQN-MRVPVSSYSA-N -1 1 354.273 0.908 20 5 FCBDMM COC(=O)C[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000859343842 671817979 /nfs/dbraw/zinc/81/79/79/671817979.db2.gz IPIIAKVXNBZEBS-LURJTMIESA-N -1 1 370.742 0.590 20 5 FCBDMM COC(=O)[C@@](C)([N-]S(=O)(=O)c1c[nH]nc1C)c1cccc([N+](=O)[O-])c1 ZINC000859369548 671820225 /nfs/dbraw/zinc/82/02/25/671820225.db2.gz HWTQPHBBMHPRPW-AWEZNQCLSA-N -1 1 368.371 0.993 20 5 FCBDMM CNC(=O)COc1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000553489478 1194003124 /nfs/dbraw/zinc/00/31/24/1194003124.db2.gz OHPSQOJKLLKMKZ-UHFFFAOYSA-N -1 1 360.326 0.750 20 5 FCBDMM O=C(Cn1nnn(-c2ccccc2)c1=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000913606485 1197041635 /nfs/dbraw/zinc/04/16/35/1197041635.db2.gz UZACPCFXIXRWRF-UHFFFAOYSA-N -1 1 368.309 0.294 20 5 FCBDMM Cc1c(-c2nnn[n-]2)c(NC(=O)COc2cccc([N+](=O)[O-])c2)nn1C ZINC001580521969 1278445999 /nfs/dbraw/zinc/44/59/99/1278445999.db2.gz GICRJSDVSYEISK-UHFFFAOYSA-N -1 1 358.318 0.834 20 5 FCBDMM Cc1c(-c2nn[n-]n2)c(NC(=O)COc2cccc([N+](=O)[O-])c2)nn1C ZINC001580521969 1278446000 /nfs/dbraw/zinc/44/60/00/1278446000.db2.gz GICRJSDVSYEISK-UHFFFAOYSA-N -1 1 358.318 0.834 20 5 FCBDMM C[C@@H]1[C@H](C)OCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001576399231 1273236552 /nfs/dbraw/zinc/23/65/52/1273236552.db2.gz XPXSCFQBNLKWCS-BDAKNGLRSA-N -1 1 368.375 0.573 20 5 FCBDMM C[C@@H]1[C@H](C)OCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001576399231 1273236558 /nfs/dbraw/zinc/23/65/58/1273236558.db2.gz XPXSCFQBNLKWCS-BDAKNGLRSA-N -1 1 368.375 0.573 20 5 FCBDMM CCOc1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)nn2)c([N+](=O)[O-])c1 ZINC001578398266 1275774266 /nfs/dbraw/zinc/77/42/66/1275774266.db2.gz WWQUJUROXMLMIK-UHFFFAOYSA-N -1 1 359.306 0.404 20 5 FCBDMM CC(C)COC[C@H](O)CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603303765 1287351169 /nfs/dbraw/zinc/35/11/69/1287351169.db2.gz SSLMGGFTTGOYMG-SNVBAGLBSA-N -1 1 351.367 0.803 20 5 FCBDMM CC(C)COC[C@H](O)CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603303765 1287351174 /nfs/dbraw/zinc/35/11/74/1287351174.db2.gz SSLMGGFTTGOYMG-SNVBAGLBSA-N -1 1 351.367 0.803 20 5 FCBDMM Cn1cc(Cn2cc(-c3nn[n-]n3)c3ccccc3c2=O)c([N+](=O)[O-])n1 ZINC001581773628 1280492032 /nfs/dbraw/zinc/49/20/32/1280492032.db2.gz OFKNHIPMUJMSQH-UHFFFAOYSA-N -1 1 352.314 0.872 20 5 FCBDMM CC(C)[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CCN1 ZINC001603759217 1287490711 /nfs/dbraw/zinc/49/07/11/1287490711.db2.gz GPHRHENPOXUBNF-GFCCVEGCSA-N -1 1 357.388 0.912 20 5 FCBDMM O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001582804362 1282030443 /nfs/dbraw/zinc/03/04/43/1282030443.db2.gz BTAXFVVWYQRCOQ-UHFFFAOYSA-N -1 1 370.376 0.011 20 5 FCBDMM O=c1[nH]c(=O)n(C2CC2)cc1CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001582804914 1282030500 /nfs/dbraw/zinc/03/05/00/1282030500.db2.gz RHPAQJKAANJYLI-UHFFFAOYSA-N -1 1 370.329 0.984 20 5 FCBDMM O=c1[nH]c(=O)n(C2CC2)cc1CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001582804914 1282030505 /nfs/dbraw/zinc/03/05/05/1282030505.db2.gz RHPAQJKAANJYLI-UHFFFAOYSA-N -1 1 370.329 0.984 20 5 FCBDMM C[C@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])n1cnc(-c2nn[n-]n2)n1 ZINC001589002881 1282762555 /nfs/dbraw/zinc/76/25/55/1282762555.db2.gz FYZQDVJQCLVWKF-DTWKUNHWSA-N -1 1 357.334 0.805 20 5 FCBDMM C[C@@H](C(=O)OCCOc1cccc([N+](=O)[O-])c1)n1cnc(-c2nn[n-]n2)n1 ZINC001589029502 1282776143 /nfs/dbraw/zinc/77/61/43/1282776143.db2.gz CFNHXWOLTXGJFO-VIFPVBQESA-N -1 1 374.317 0.550 20 5 FCBDMM C[C@@H](CCCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001589820004 1283059499 /nfs/dbraw/zinc/05/94/99/1283059499.db2.gz DGLOQZSIOIOCDD-QMMMGPOBSA-N -1 1 356.364 0.214 20 5 FCBDMM C[C@@H](CCCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001589820004 1283059503 /nfs/dbraw/zinc/05/95/03/1283059503.db2.gz DGLOQZSIOIOCDD-QMMMGPOBSA-N -1 1 356.364 0.214 20 5 FCBDMM CC1(C)COC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001590111507 1283224494 /nfs/dbraw/zinc/22/44/94/1283224494.db2.gz NUKJYZICDLOGNF-SNVBAGLBSA-N -1 1 368.375 0.478 20 5 FCBDMM CC1(C)SC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590119283 1283226999 /nfs/dbraw/zinc/22/69/99/1283226999.db2.gz ZUXDDMGJELQRSI-JTQLQIEISA-N -1 1 370.416 0.947 20 5 FCBDMM CC1(C)SC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590119283 1283227006 /nfs/dbraw/zinc/22/70/06/1283227006.db2.gz ZUXDDMGJELQRSI-JTQLQIEISA-N -1 1 370.416 0.947 20 5 FCBDMM C[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC001590275161 1283401249 /nfs/dbraw/zinc/40/12/49/1283401249.db2.gz XFNGTOBXQPFSDK-VIFPVBQESA-N -1 1 352.376 0.788 20 5 FCBDMM C[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC001590275161 1283401253 /nfs/dbraw/zinc/40/12/53/1283401253.db2.gz XFNGTOBXQPFSDK-VIFPVBQESA-N -1 1 352.376 0.788 20 5 FCBDMM C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CCC1=O ZINC001590308763 1283452781 /nfs/dbraw/zinc/45/27/81/1283452781.db2.gz IVHKKFXZUCSAGL-MRVPVSSYSA-N -1 1 366.359 0.375 20 5 FCBDMM C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CCC1=O ZINC001590308763 1283452787 /nfs/dbraw/zinc/45/27/87/1283452787.db2.gz IVHKKFXZUCSAGL-MRVPVSSYSA-N -1 1 366.359 0.375 20 5 FCBDMM CC[C@@H](O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590476301 1283553080 /nfs/dbraw/zinc/55/30/80/1283553080.db2.gz FIWDZPSSRSIMMY-SECBINFHSA-N -1 1 356.364 0.214 20 5 FCBDMM CC[C@@H](O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590476301 1283553090 /nfs/dbraw/zinc/55/30/90/1283553090.db2.gz FIWDZPSSRSIMMY-SECBINFHSA-N -1 1 356.364 0.214 20 5 FCBDMM CCn1ncc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc([N+](=O)[O-])ccc32)n1 ZINC001590968746 1284026133 /nfs/dbraw/zinc/02/61/33/1284026133.db2.gz MVACAGVQBMHEQO-UHFFFAOYSA-N -1 1 367.329 0.750 20 5 FCBDMM CN(C1(CO)CCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001591038314 1284098003 /nfs/dbraw/zinc/09/80/03/1284098003.db2.gz SGIAFQCXDPWCGG-UHFFFAOYSA-N -1 1 368.375 0.310 20 5 FCBDMM CN(CCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])S(C)(=O)=O ZINC001591082472 1284151422 /nfs/dbraw/zinc/15/14/22/1284151422.db2.gz WOOAETVXVUFKJI-UHFFFAOYSA-N -1 1 361.409 0.530 20 5 FCBDMM CN(CCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])S(C)(=O)=O ZINC001591082472 1284151426 /nfs/dbraw/zinc/15/14/26/1284151426.db2.gz WOOAETVXVUFKJI-UHFFFAOYSA-N -1 1 361.409 0.530 20 5 FCBDMM COC(=O)[C@H]1C[C@@H](O)CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001591248278 1284402189 /nfs/dbraw/zinc/40/21/89/1284402189.db2.gz LCSKFRCSRNBYCD-NKWVEPMBSA-N -1 1 354.348 0.197 20 5 FCBDMM COC(=O)[C@H]1C[C@@H](O)CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001591248278 1284402191 /nfs/dbraw/zinc/40/21/91/1284402191.db2.gz LCSKFRCSRNBYCD-NKWVEPMBSA-N -1 1 354.348 0.197 20 5 FCBDMM COC(=O)c1ccccc1OCCn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001591304413 1284454011 /nfs/dbraw/zinc/45/40/11/1284454011.db2.gz VFYOQNZAEIVQOJ-UHFFFAOYSA-N -1 1 359.302 0.837 20 5 FCBDMM CS(=O)(=O)N1CC(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001591680469 1284822298 /nfs/dbraw/zinc/82/22/98/1284822298.db2.gz OCRSPFVHQJCIBR-UHFFFAOYSA-N -1 1 353.364 0.078 20 5 FCBDMM CS(=O)(=O)N1CC(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001591680469 1284822308 /nfs/dbraw/zinc/82/23/08/1284822308.db2.gz OCRSPFVHQJCIBR-UHFFFAOYSA-N -1 1 353.364 0.078 20 5 FCBDMM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001591950608 1285018661 /nfs/dbraw/zinc/01/86/61/1285018661.db2.gz GUFXNLWMFJWFCG-UHFFFAOYSA-N -1 1 372.349 0.805 20 5 FCBDMM NC(=O)CC[C@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001592726179 1285636216 /nfs/dbraw/zinc/63/62/16/1285636216.db2.gz WVICSSCCDWRBTL-SECBINFHSA-N -1 1 360.378 0.839 20 5 FCBDMM NC(=O)CC[C@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001592726179 1285636220 /nfs/dbraw/zinc/63/62/20/1285636220.db2.gz WVICSSCCDWRBTL-SECBINFHSA-N -1 1 360.378 0.839 20 5 FCBDMM Nc1cc(N2CCOC3(CCOCC3)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760478 1285682020 /nfs/dbraw/zinc/68/20/20/1285682020.db2.gz ZUDHEQSOKVKHJS-UHFFFAOYSA-N -1 1 361.362 0.743 20 5 FCBDMM Nc1cc(N2CCOC3(CCOCC3)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760478 1285682029 /nfs/dbraw/zinc/68/20/29/1285682029.db2.gz ZUDHEQSOKVKHJS-UHFFFAOYSA-N -1 1 361.362 0.743 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)N1CCCc2ccccc21 ZINC001592937466 1285825548 /nfs/dbraw/zinc/82/55/48/1285825548.db2.gz CRMDGIIPBULFHL-UHFFFAOYSA-N -1 1 354.330 0.951 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)NC[C@@H]1Cc2ccccc2O1 ZINC001592937450 1285826154 /nfs/dbraw/zinc/82/61/54/1285826154.db2.gz BPHLLDRWRPDWAC-JTQLQIEISA-N -1 1 370.329 0.091 20 5 FCBDMM O=C([N-]CC1CN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])C1)C(F)(F)F ZINC001593045619 1285933545 /nfs/dbraw/zinc/93/35/45/1285933545.db2.gz MQGNXVIYUHCBPV-UHFFFAOYSA-N -1 1 371.279 0.890 20 5 FCBDMM O=C1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC001593391420 1286111564 /nfs/dbraw/zinc/11/15/64/1286111564.db2.gz WMOLIEUQPUINNZ-UHFFFAOYSA-N -1 1 366.359 0.565 20 5 FCBDMM O=C1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCN1CC(F)(F)F ZINC001593399099 1286119177 /nfs/dbraw/zinc/11/91/77/1286119177.db2.gz AMPIOZNCVPCDEJ-UHFFFAOYSA-N -1 1 372.267 0.381 20 5 FCBDMM O=C1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCN1CC(F)(F)F ZINC001593399099 1286119181 /nfs/dbraw/zinc/11/91/81/1286119181.db2.gz AMPIOZNCVPCDEJ-UHFFFAOYSA-N -1 1 372.267 0.381 20 5 FCBDMM O=C1NC(=O)[C@]2(CCCN(c3cc(-c4nnn[n-]4)sc3[N+](=O)[O-])C2)N1 ZINC001593401473 1286123746 /nfs/dbraw/zinc/12/37/46/1286123746.db2.gz LVAPAKLCPITWBZ-GFCCVEGCSA-N -1 1 364.347 0.015 20 5 FCBDMM O=C1NC(=O)[C@]2(CCCN(c3cc(-c4nn[n-]n4)sc3[N+](=O)[O-])C2)N1 ZINC001593401473 1286123748 /nfs/dbraw/zinc/12/37/48/1286123748.db2.gz LVAPAKLCPITWBZ-GFCCVEGCSA-N -1 1 364.347 0.015 20 5 FCBDMM O=[N+]([O-])c1c(NCCS(=O)(=O)N2CCCC2)cccc1-c1nnn[n-]1 ZINC001593465585 1286171102 /nfs/dbraw/zinc/17/11/02/1286171102.db2.gz PQSZWLLVCARGPY-UHFFFAOYSA-N -1 1 367.391 0.612 20 5 FCBDMM O=[N+]([O-])c1c(NCCS(=O)(=O)N2CCCC2)cccc1-c1nn[n-]n1 ZINC001593465585 1286171107 /nfs/dbraw/zinc/17/11/07/1286171107.db2.gz PQSZWLLVCARGPY-UHFFFAOYSA-N -1 1 367.391 0.612 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCOC2(CCOCC2)CC1 ZINC001593465468 1286171116 /nfs/dbraw/zinc/17/11/16/1286171116.db2.gz AYPFNWQDHZDLLK-UHFFFAOYSA-N -1 1 361.362 0.946 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCOC2(CCOCC2)CC1 ZINC001593465468 1286171120 /nfs/dbraw/zinc/17/11/20/1286171120.db2.gz AYPFNWQDHZDLLK-UHFFFAOYSA-N -1 1 361.362 0.946 20 5 FCBDMM Cc1c(NC(=O)C(=O)NCCN2CCCC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600028733 1286430783 /nfs/dbraw/zinc/43/07/83/1286430783.db2.gz LARPWSORAKTFFI-UHFFFAOYSA-N -1 1 364.358 0.752 20 5 FCBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C(=O)[O-])c2ccccc2)n1 ZINC001600970225 1286586225 /nfs/dbraw/zinc/58/62/25/1286586225.db2.gz BWUQHFMUHNNXGQ-JTQLQIEISA-N -1 1 354.344 0.475 20 5 FCBDMM O=C([O-])c1ccc(N2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)nn1 ZINC001602372500 1286991979 /nfs/dbraw/zinc/99/19/79/1286991979.db2.gz DMCGOFQTTWCOFS-UHFFFAOYSA-N -1 1 373.325 0.751 20 5 FCBDMM CC(=CC(=O)NCCn1cnc(-c2nn[n-]n2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001602899597 1287153069 /nfs/dbraw/zinc/15/30/69/1287153069.db2.gz FNKWYYURBGOMTA-NTMALXAHSA-N -1 1 369.345 0.586 20 5 FCBDMM CO[C@H]1C[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C1 ZINC001605154350 1287897376 /nfs/dbraw/zinc/89/73/76/1287897376.db2.gz VNMPDCHOMUUZMQ-CZMCAQCFSA-N -1 1 368.375 0.478 20 5 FCBDMM CO[C@H]1C[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)C1 ZINC001605154350 1287897378 /nfs/dbraw/zinc/89/73/78/1287897378.db2.gz VNMPDCHOMUUZMQ-CZMCAQCFSA-N -1 1 368.375 0.478 20 5 FCBDMM CS(=O)(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001605352393 1287933604 /nfs/dbraw/zinc/93/36/04/1287933604.db2.gz BKAHZDPZOKVHME-SNVBAGLBSA-N -1 1 352.376 0.788 20 5 FCBDMM CS(=O)(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001605352393 1287933609 /nfs/dbraw/zinc/93/36/09/1287933609.db2.gz BKAHZDPZOKVHME-SNVBAGLBSA-N -1 1 352.376 0.788 20 5 FCBDMM CS(=O)(=O)NC[C@H]1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001605358279 1287937245 /nfs/dbraw/zinc/93/72/45/1287937245.db2.gz NBPCQTZXHYDDNC-SECBINFHSA-N -1 1 367.391 0.150 20 5 FCBDMM CS(=O)(=O)NC[C@H]1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001605358279 1287937252 /nfs/dbraw/zinc/93/72/52/1287937252.db2.gz NBPCQTZXHYDDNC-SECBINFHSA-N -1 1 367.391 0.150 20 5 FCBDMM Cc1ccc([N+](=O)[O-])cc1Oc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001609428305 1289146835 /nfs/dbraw/zinc/14/68/35/1289146835.db2.gz UNPTVTMHZCENKK-UHFFFAOYSA-N -1 1 359.302 0.273 20 5 FCBDMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)OCCC[N+](=O)[O-])CC2)o1 ZINC001606019908 1288130983 /nfs/dbraw/zinc/13/09/83/1288130983.db2.gz OUXVOPQGSVSRJY-UHFFFAOYSA-N -1 1 365.350 0.590 20 5 FCBDMM Cc1nn(C)c(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1[N+](=O)[O-] ZINC001606110195 1288168923 /nfs/dbraw/zinc/16/89/23/1288168923.db2.gz NZEOXFQQTWMDPO-UHFFFAOYSA-N -1 1 370.377 0.538 20 5 FCBDMM Cc1nn(C)c(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1[N+](=O)[O-] ZINC001606110195 1288168924 /nfs/dbraw/zinc/16/89/24/1288168924.db2.gz NZEOXFQQTWMDPO-UHFFFAOYSA-N -1 1 370.377 0.538 20 5 FCBDMM Cn1ncc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc([N+](=O)[O-])ccc32)n1 ZINC001606275975 1288248088 /nfs/dbraw/zinc/24/80/88/1288248088.db2.gz ATAPCKBRZIIAMF-UHFFFAOYSA-N -1 1 353.302 0.267 20 5 FCBDMM Nc1cc(N2CC[C@H](Nc3ncccn3)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606451374 1288324039 /nfs/dbraw/zinc/32/40/39/1288324039.db2.gz OYZFLZJCNQQPHR-VIFPVBQESA-N -1 1 368.361 0.838 20 5 FCBDMM Nc1cc(N2CC[C@H](Nc3ncccn3)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606451374 1288324046 /nfs/dbraw/zinc/32/40/46/1288324046.db2.gz OYZFLZJCNQQPHR-VIFPVBQESA-N -1 1 368.361 0.838 20 5 FCBDMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001607022141 1288594035 /nfs/dbraw/zinc/59/40/35/1288594035.db2.gz OJZFIMLBKFQGMC-UHFFFAOYSA-N -1 1 369.345 0.844 20 5 FCBDMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001607022141 1288594041 /nfs/dbraw/zinc/59/40/41/1288594041.db2.gz OJZFIMLBKFQGMC-UHFFFAOYSA-N -1 1 369.345 0.844 20 5 FCBDMM O=C1CCCN1C[C@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001607043677 1288612424 /nfs/dbraw/zinc/61/24/24/1288612424.db2.gz LXFGINBJXGTNNK-SNVBAGLBSA-N -1 1 358.362 0.619 20 5 FCBDMM O=C1CCCN1C[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001607043677 1288612429 /nfs/dbraw/zinc/61/24/29/1288612429.db2.gz LXFGINBJXGTNNK-SNVBAGLBSA-N -1 1 358.362 0.619 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)NCCn2cccc2)c1 ZINC001607080312 1288649909 /nfs/dbraw/zinc/64/99/09/1288649909.db2.gz UAADDEAKBVSNRO-UHFFFAOYSA-N -1 1 363.359 0.555 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)NCCn2cccc2)c1 ZINC001607080312 1288649911 /nfs/dbraw/zinc/64/99/11/1288649911.db2.gz UAADDEAKBVSNRO-UHFFFAOYSA-N -1 1 363.359 0.555 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)NCCCCCO)c1 ZINC001607079875 1288650100 /nfs/dbraw/zinc/65/01/00/1288650100.db2.gz NIHBOSKRKJGMQC-UHFFFAOYSA-N -1 1 356.364 0.216 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)NCCCCCO)c1 ZINC001607079875 1288650103 /nfs/dbraw/zinc/65/01/03/1288650103.db2.gz NIHBOSKRKJGMQC-UHFFFAOYSA-N -1 1 356.364 0.216 20 5 FCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001607086561 1288653221 /nfs/dbraw/zinc/65/32/21/1288653221.db2.gz ZRLSQXUMVVEYPX-JGVFFNPUSA-N -1 1 370.416 0.707 20 5 FCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001607086561 1288653224 /nfs/dbraw/zinc/65/32/24/1288653224.db2.gz ZRLSQXUMVVEYPX-JGVFFNPUSA-N -1 1 370.416 0.707 20 5 FCBDMM C[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001609070119 1288899923 /nfs/dbraw/zinc/89/99/23/1288899923.db2.gz ITUCOIBWXQTSGP-VIFPVBQESA-N -1 1 373.333 0.123 20 5 FCBDMM C[C@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])n1cnc(-c2nn[n-]n2)n1 ZINC001609072224 1288904656 /nfs/dbraw/zinc/90/46/56/1288904656.db2.gz HVJVBIGMFVUMFX-SSDOTTSWSA-N -1 1 362.281 0.810 20 5 FCBDMM CC(C)(C(N)=O)N1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001609073543 1288905843 /nfs/dbraw/zinc/90/58/43/1288905843.db2.gz YRSXAUHQGCMUKL-UHFFFAOYSA-N -1 1 360.378 0.161 20 5 FCBDMM CC(C)(C(N)=O)N1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001609073543 1288905844 /nfs/dbraw/zinc/90/58/44/1288905844.db2.gz YRSXAUHQGCMUKL-UHFFFAOYSA-N -1 1 360.378 0.161 20 5 FCBDMM CC(C)OC[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001609101250 1288920683 /nfs/dbraw/zinc/92/06/83/1288920683.db2.gz CEEYBOPEDBJWAX-NSHDSACASA-N -1 1 363.378 0.987 20 5 FCBDMM CC(C)OC[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001609101250 1288920689 /nfs/dbraw/zinc/92/06/89/1288920689.db2.gz CEEYBOPEDBJWAX-NSHDSACASA-N -1 1 363.378 0.987 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(Cn2cncn2)CC1 ZINC001609599669 1289257139 /nfs/dbraw/zinc/25/71/39/1289257139.db2.gz URYBLMSJUSRHLZ-UHFFFAOYSA-N -1 1 356.350 0.678 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(Cn2cncn2)CC1 ZINC001609599669 1289257141 /nfs/dbraw/zinc/25/71/41/1289257141.db2.gz URYBLMSJUSRHLZ-UHFFFAOYSA-N -1 1 356.350 0.678 20 5 FCBDMM O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609603627 1289257657 /nfs/dbraw/zinc/25/76/57/1289257657.db2.gz SCUBDKJLIQNOLZ-UHFFFAOYSA-N -1 1 350.316 0.846 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCC2CC(O)C2)c1-c1nn[n-]n1 ZINC001609602934 1289257763 /nfs/dbraw/zinc/25/77/63/1289257763.db2.gz PTHKJCLWCLMEFS-UHFFFAOYSA-N -1 1 368.375 0.214 20 5 FCBDMM CN1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C(=O)[O-])C1 ZINC001610138092 1289392877 /nfs/dbraw/zinc/39/28/77/1289392877.db2.gz QBEOVZVESQIUPM-ZDUSSCGKSA-N -1 1 371.415 0.415 20 5 FCBDMM COC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000749296923 836354795 /nfs/dbraw/zinc/35/47/95/836354795.db2.gz RFYGGSUJVOQOCI-CYBMUJFWSA-N -1 1 364.351 0.980 20 5 FCBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC1CCS(=O)(=O)CC1 ZINC001226307266 857096639 /nfs/dbraw/zinc/09/66/39/857096639.db2.gz HDHXOKNWSCJLBK-UHFFFAOYSA-N -1 1 360.344 0.828 20 5 FCBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCn2cnccc2=O)cc1F ZINC001309750796 866881574 /nfs/dbraw/zinc/88/15/74/866881574.db2.gz ZEHIBMHYRHHSOG-UHFFFAOYSA-N -1 1 356.335 0.578 20 5 FCBDMM Cc1nn(C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334452 947969670 /nfs/dbraw/zinc/96/96/70/947969670.db2.gz VQKKINYNUJJRQM-LBPRGKRZSA-N -1 1 357.330 0.682 20 5 FCBDMM Cc1onc(CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000826347037 948048801 /nfs/dbraw/zinc/04/88/01/948048801.db2.gz CEDPLCCNTAXELG-UHFFFAOYSA-N -1 1 372.345 0.842 20 5 FCBDMM Cc1onc(CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000826347037 948048812 /nfs/dbraw/zinc/04/88/12/948048812.db2.gz CEDPLCCNTAXELG-UHFFFAOYSA-N -1 1 372.345 0.842 20 5 FCBDMM O=C([O-])CN1CCCC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1=O ZINC001595093958 951801139 /nfs/dbraw/zinc/80/11/39/951801139.db2.gz MSWKPRYJLOAADK-LBPRGKRZSA-N -1 1 351.315 0.496 20 5 FCBDMM 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ZINC000609532702 492211885 /nfs/dbraw/zinc/21/18/85/492211885.db2.gz OOAYDVQOPZFVOQ-UHFFFAOYSA-N -1 1 374.098 0.643 20 5 FCBDMM O=C(NCc1nn[n-]n1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000609533160 492212236 /nfs/dbraw/zinc/21/22/36/492212236.db2.gz YSYYTHYUPMBJMO-SSDOTTSWSA-N -1 1 351.348 0.090 20 5 FCBDMM COC(=O)Cc1nc([N-]C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])n[nH]1 ZINC000609835909 492223877 /nfs/dbraw/zinc/22/38/77/492223877.db2.gz QAXHIKSSWBHDJX-UHFFFAOYSA-N -1 1 365.302 0.698 20 5 FCBDMM Cn1cccc1C(=O)N1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000618354429 492225435 /nfs/dbraw/zinc/22/54/35/492225435.db2.gz QMAWAHIHGOQGLP-UHFFFAOYSA-N -1 1 359.342 0.632 20 5 FCBDMM CN(C)C(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610264108 492240560 /nfs/dbraw/zinc/24/05/60/492240560.db2.gz VPPZABUZCYAYEJ-MNOVXSKESA-N -1 1 356.404 0.915 20 5 FCBDMM CS(=O)(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610264710 492240818 /nfs/dbraw/zinc/24/08/18/492240818.db2.gz JCHFXAAQZLLLMB-VHSXEESVSA-N -1 1 363.417 0.624 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]CC(=O)Nc2cccnc2)c([N+](=O)[O-])n1 ZINC000611105624 492278215 /nfs/dbraw/zinc/27/82/15/492278215.db2.gz SODCWRZWDRIQNJ-UHFFFAOYSA-N -1 1 354.348 0.123 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]Cc2csc(N(C)C)n2)c([N+](=O)[O-])n1 ZINC000611106512 492278658 /nfs/dbraw/zinc/27/86/58/492278658.db2.gz PCZAVPASGGQMRR-UHFFFAOYSA-N -1 1 360.421 0.812 20 5 FCBDMM CC(C)(C)OC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000545934307 546887780 /nfs/dbraw/zinc/88/77/80/546887780.db2.gz NLXDRZQSGROELA-CYBMUJFWSA-N -1 1 361.376 0.361 20 5 FCBDMM COCCN(C[C@H](O)C(F)(F)F)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000594381953 546997393 /nfs/dbraw/zinc/99/73/93/546997393.db2.gz RJIJYFXXGBYPBF-VIFPVBQESA-N -1 1 353.253 0.707 20 5 FCBDMM CN(CC(=O)NCc1cccs1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821592491 607329284 /nfs/dbraw/zinc/32/92/84/607329284.db2.gz IHHRZISPQHCHHX-UHFFFAOYSA-N -1 1 374.386 0.984 20 5 FCBDMM CN(CC(=O)NCc1cccs1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821592491 607329285 /nfs/dbraw/zinc/32/92/85/607329285.db2.gz IHHRZISPQHCHHX-UHFFFAOYSA-N -1 1 374.386 0.984 20 5 FCBDMM O=[N+]([O-])c1cccc(N2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC000738370243 598345190 /nfs/dbraw/zinc/34/51/90/598345190.db2.gz SAZXIHJQQJRKAC-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1cccc(N2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC000738370243 598345192 /nfs/dbraw/zinc/34/51/92/598345192.db2.gz SAZXIHJQQJRKAC-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM CC(C)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000824301000 607450114 /nfs/dbraw/zinc/45/01/14/607450114.db2.gz PXVYRYSVBHTRFA-UHFFFAOYSA-N -1 1 374.405 0.422 20 5 FCBDMM CC(C)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000824301000 607450116 /nfs/dbraw/zinc/45/01/16/607450116.db2.gz PXVYRYSVBHTRFA-UHFFFAOYSA-N -1 1 374.405 0.422 20 5 FCBDMM CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000825663123 607451656 /nfs/dbraw/zinc/45/16/56/607451656.db2.gz JMPCBZNZMJWWMN-UHFFFAOYSA-N -1 1 367.391 0.247 20 5 FCBDMM CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000825663123 607451658 /nfs/dbraw/zinc/45/16/58/607451658.db2.gz JMPCBZNZMJWWMN-UHFFFAOYSA-N -1 1 367.391 0.247 20 5 FCBDMM Cc1nn(CCC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(C)c1[N+](=O)[O-] ZINC000833015238 601103212 /nfs/dbraw/zinc/10/32/12/601103212.db2.gz AXVZYRCHKJOIQJ-NSHDSACASA-N -1 1 367.406 0.806 20 5 FCBDMM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(N)=O ZINC000038039739 674512806 /nfs/dbraw/zinc/51/28/06/674512806.db2.gz LDAJYODQHFASTO-YFKPBYRVSA-N -1 1 352.166 0.509 20 5 FCBDMM CCNC(=O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038039748 674512873 /nfs/dbraw/zinc/51/28/73/674512873.db2.gz JDLDYYWJSMUMKA-UHFFFAOYSA-N -1 1 366.193 0.772 20 5 FCBDMM COC(=O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038039603 674512942 /nfs/dbraw/zinc/51/29/42/674512942.db2.gz WCSUMKZWKXLARR-UHFFFAOYSA-N -1 1 353.150 0.809 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC2CCOCC2)c1-c1nn[n-]n1 ZINC000826500209 607593676 /nfs/dbraw/zinc/59/36/76/607593676.db2.gz OKZJVEJMKPTZJF-UHFFFAOYSA-N -1 1 354.348 0.232 20 5 FCBDMM COCC[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826154449 607603700 /nfs/dbraw/zinc/60/37/00/607603700.db2.gz PREXBPMOKCNAFV-QMMMGPOBSA-N -1 1 356.364 0.478 20 5 FCBDMM CSCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826228970 607618394 /nfs/dbraw/zinc/61/83/94/607618394.db2.gz JBKTXVISQSPHHW-UHFFFAOYSA-N -1 1 358.405 0.806 20 5 FCBDMM C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)[C@H]1CCOC1 ZINC000824641128 607648393 /nfs/dbraw/zinc/64/83/93/607648393.db2.gz RVJIBULTOPJLRT-IUCAKERBSA-N -1 1 368.375 0.478 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCSC2)c1-c1nn[n-]n1 ZINC000826500362 607653709 /nfs/dbraw/zinc/65/37/09/607653709.db2.gz VSNCIQAHZPSPLC-SSDOTTSWSA-N -1 1 356.389 0.559 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccon2)c1-c1nn[n-]n1 ZINC000826500015 607662081 /nfs/dbraw/zinc/66/20/81/607662081.db2.gz IAPKCRICPIQWFE-UHFFFAOYSA-N -1 1 351.304 0.241 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC2(C3CC3)CC2)c1-c1nn[n-]n1 ZINC000826500076 607672808 /nfs/dbraw/zinc/67/28/08/607672808.db2.gz KEMICERCVVVRPX-UHFFFAOYSA-N -1 1 350.360 0.996 20 5 FCBDMM COc1ccc([N+](=O)[O-])cc1CNC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000832481285 604437257 /nfs/dbraw/zinc/43/72/57/604437257.db2.gz AOTUIEIYNDJUEE-UHFFFAOYSA-N -1 1 358.372 0.725 20 5 FCBDMM C[C@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCN1CCC(=O)[O-] ZINC000833620306 605472348 /nfs/dbraw/zinc/47/23/48/605472348.db2.gz GQSPVXAAGQHENU-JTQLQIEISA-N -1 1 365.342 0.945 20 5 FCBDMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000821666848 606170909 /nfs/dbraw/zinc/17/09/09/606170909.db2.gz IXGOUSOGKAYJME-UHFFFAOYSA-N -1 1 374.288 0.911 20 5 FCBDMM CCN(CCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000821207022 606645390 /nfs/dbraw/zinc/64/53/90/606645390.db2.gz IFMCAORPZHNCDN-UHFFFAOYSA-N -1 1 369.407 0.858 20 5 FCBDMM CCOC(=O)N[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821334524 606697838 /nfs/dbraw/zinc/69/78/38/606697838.db2.gz MYFHTJRNNAMNGP-VIFPVBQESA-N -1 1 362.350 0.885 20 5 FCBDMM CCOC(=O)N[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821334524 606697839 /nfs/dbraw/zinc/69/78/39/606697839.db2.gz MYFHTJRNNAMNGP-VIFPVBQESA-N -1 1 362.350 0.885 20 5 FCBDMM CCOC(=O)N[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821334523 606698132 /nfs/dbraw/zinc/69/81/32/606698132.db2.gz MYFHTJRNNAMNGP-SECBINFHSA-N -1 1 362.350 0.885 20 5 FCBDMM CCOC(=O)N[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821334523 606698133 /nfs/dbraw/zinc/69/81/33/606698133.db2.gz MYFHTJRNNAMNGP-SECBINFHSA-N -1 1 362.350 0.885 20 5 FCBDMM CCc1nnc2n1C[C@H](Nc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC000821553849 606704800 /nfs/dbraw/zinc/70/48/00/606704800.db2.gz KYQGUMVSWMWKKI-MRVPVSSYSA-N -1 1 356.350 0.751 20 5 FCBDMM CCc1nnc2n1C[C@H](Nc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC000821553849 606704802 /nfs/dbraw/zinc/70/48/02/606704802.db2.gz KYQGUMVSWMWKKI-MRVPVSSYSA-N -1 1 356.350 0.751 20 5 FCBDMM CC[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000820994707 606730825 /nfs/dbraw/zinc/73/08/25/606730825.db2.gz KJAKJEYZMPNQTP-SECBINFHSA-N -1 1 368.375 0.574 20 5 FCBDMM C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000820767683 606730835 /nfs/dbraw/zinc/73/08/35/606730835.db2.gz JUVNLHGQLWKPHQ-RKDXNWHRSA-N -1 1 368.375 0.573 20 5 FCBDMM Cc1cc(=O)n(Cc2cc(=O)n3ncc(-c4nn[n-]n4)c3[nH]2)cc1[N+](=O)[O-] ZINC000822161622 606785740 /nfs/dbraw/zinc/78/57/40/606785740.db2.gz RGJGKJRYNGWGHW-UHFFFAOYSA-N -1 1 369.301 0.042 20 5 FCBDMM Cn1cnnc1[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000822705104 607167855 /nfs/dbraw/zinc/16/78/55/607167855.db2.gz VNVPYAGZMDSANJ-SECBINFHSA-N -1 1 356.350 0.682 20 5 FCBDMM Cn1cnnc1[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000822705104 607167857 /nfs/dbraw/zinc/16/78/57/607167857.db2.gz VNVPYAGZMDSANJ-SECBINFHSA-N -1 1 356.350 0.682 20 5 FCBDMM CC(C)[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(=O)[O-] ZINC000824199090 608010118 /nfs/dbraw/zinc/01/01/18/608010118.db2.gz HISDKZJWRZQPCL-SNVBAGLBSA-N -1 1 370.347 0.162 20 5 FCBDMM CC(C)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(=O)[O-] ZINC000824199089 608011066 /nfs/dbraw/zinc/01/10/66/608011066.db2.gz HISDKZJWRZQPCL-JTQLQIEISA-N -1 1 370.347 0.162 20 5 FCBDMM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1sccc1-c1nn[n-]n1 ZINC000826464204 608058002 /nfs/dbraw/zinc/05/80/02/608058002.db2.gz MUWXAUOEARHGHG-UHFFFAOYSA-N -1 1 362.327 0.855 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(CO)CCC2)c1-c1nn[n-]n1 ZINC000826500409 608126914 /nfs/dbraw/zinc/12/69/14/608126914.db2.gz XPBOZBISZIVHHH-UHFFFAOYSA-N -1 1 368.375 0.216 20 5 FCBDMM O=[N+]([O-])c1cccc(N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000826499575 608400646 /nfs/dbraw/zinc/40/06/46/608400646.db2.gz NSUYREZPQHCQQV-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1cccc(N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826499575 608400648 /nfs/dbraw/zinc/40/06/48/608400648.db2.gz NSUYREZPQHCQQV-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1COC2(CCOCC2)O1 ZINC000826497309 609173535 /nfs/dbraw/zinc/17/35/35/609173535.db2.gz CAPVKGWYSMXJAS-VIFPVBQESA-N -1 1 363.334 0.504 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1COC2(CCOCC2)O1 ZINC000826497309 609173537 /nfs/dbraw/zinc/17/35/37/609173537.db2.gz CAPVKGWYSMXJAS-VIFPVBQESA-N -1 1 363.334 0.504 20 5 FCBDMM CN(C)CCNS(=O)(=O)c1ccc(SCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000912731605 666470773 /nfs/dbraw/zinc/47/07/73/666470773.db2.gz HDEIEHCZKAIBII-UHFFFAOYSA-N -1 1 363.417 0.611 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@](C)(O)c2ccccc2)c([N+](=O)[O-])n1 ZINC000754804380 667611397 /nfs/dbraw/zinc/61/13/97/667611397.db2.gz GFUKGSLBRPYZTA-AWEZNQCLSA-N -1 1 354.388 0.997 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@](C)(O)c2ccccc2)c([N+](=O)[O-])n1 ZINC000754804381 667611539 /nfs/dbraw/zinc/61/15/39/667611539.db2.gz GFUKGSLBRPYZTA-CQSZACIVSA-N -1 1 354.388 0.997 20 5 FCBDMM O=C(CCc1nc[nH]n1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000759830118 667823469 /nfs/dbraw/zinc/82/34/69/667823469.db2.gz XAZJPMRCZLQBNG-UHFFFAOYSA-N -1 1 359.751 0.804 20 5 FCBDMM COCCSc1ccc([N+](=O)[O-])cc1C(=O)NN1CC(=O)[N-]C1=O ZINC000763431357 667954163 /nfs/dbraw/zinc/95/41/63/667954163.db2.gz BHSZXBRPUSQQMQ-UHFFFAOYSA-N -1 1 354.344 0.530 20 5 FCBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](O)Cn1ccnn1 ZINC000841549332 668002851 /nfs/dbraw/zinc/00/28/51/668002851.db2.gz UQKZKBSSMDCANM-VIFPVBQESA-N -1 1 361.767 0.179 20 5 FCBDMM CN(C)C(=O)Cn1cc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)nn1 ZINC000743621836 668049916 /nfs/dbraw/zinc/04/99/16/668049916.db2.gz FRTHBNSLAXHTRX-UHFFFAOYSA-N -1 1 354.273 0.805 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774940082 668185619 /nfs/dbraw/zinc/18/56/19/668185619.db2.gz SXPRUUAOVQLQFN-UHFFFAOYSA-N -1 1 351.237 0.368 20 5 FCBDMM O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000776563688 668272325 /nfs/dbraw/zinc/27/23/25/668272325.db2.gz JCGNTOFUEPBLBJ-SNVBAGLBSA-N -1 1 360.359 0.915 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2COc3ccccc3[C@@H]2O)c([N+](=O)[O-])n1 ZINC000808352071 669564899 /nfs/dbraw/zinc/56/48/99/669564899.db2.gz BPTKTJBLVQMSPR-MFKMUULPSA-N -1 1 368.371 0.584 20 5 FCBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCS(=O)(=O)C1 ZINC000814972238 669894816 /nfs/dbraw/zinc/89/48/16/669894816.db2.gz CXVXDXWDSDUNBZ-ZCFIWIBFSA-N -1 1 372.783 0.853 20 5 FCBDMM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OC ZINC000815030964 669896065 /nfs/dbraw/zinc/89/60/65/669896065.db2.gz VPLSZPBREURVNF-MRVPVSSYSA-N -1 1 370.742 0.854 20 5 FCBDMM CC[C@@](COC)([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)OC ZINC000841531710 670581939 /nfs/dbraw/zinc/58/19/39/670581939.db2.gz OIMHGLPTPMSIRV-ZDUSSCGKSA-N -1 1 364.351 0.980 20 5 FCBDMM Cc1ccnc(-n2cc(S(=O)(=O)[N-]C(=O)[C@@H]3CC3[N+](=O)[O-])cn2)c1 ZINC000842325445 670668285 /nfs/dbraw/zinc/66/82/85/670668285.db2.gz YGSGZHLWOXVLSZ-GHMZBOCLSA-N -1 1 351.344 0.046 20 5 FCBDMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])c1F ZINC000842344719 670671407 /nfs/dbraw/zinc/67/14/07/670671407.db2.gz YFHJMXPMIQMMOS-IYSWYEEDSA-N -1 1 364.282 0.222 20 5 FCBDMM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842379455 670680150 /nfs/dbraw/zinc/68/01/50/670680150.db2.gz DQJMFQSMHBNAPL-MWLCHTKSSA-N -1 1 372.359 0.887 20 5 FCBDMM CCN1C(=O)N=NC1SCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000844261947 670914800 /nfs/dbraw/zinc/91/48/00/670914800.db2.gz LGGJAHOCDFOGRD-UHFFFAOYSA-N -1 1 351.344 0.961 20 5 FCBDMM Cn1c(=O)sc2cc(S(=O)(=O)[N-]C(=O)[C@@H]3CC3[N+](=O)[O-])ccc21 ZINC000845776353 671037189 /nfs/dbraw/zinc/03/71/89/671037189.db2.gz NRLXEDQAIHIXKE-VXNVDRBHSA-N -1 1 357.369 0.070 20 5 FCBDMM NC(=O)[C@]1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOC1 ZINC000848503330 671281239 /nfs/dbraw/zinc/28/12/39/671281239.db2.gz BFXIKQUPJIQMPK-NSHDSACASA-N -1 1 367.742 0.310 20 5 FCBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)n1 ZINC000863406542 672121391 /nfs/dbraw/zinc/12/13/91/672121391.db2.gz GGVFFOHXNBHQDS-NSHDSACASA-N -1 1 368.371 0.693 20 5 FCBDMM O=c1nc2nc[nH]c2c(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])[n-]1 ZINC001170227295 1201203302 /nfs/dbraw/zinc/20/33/02/1201203302.db2.gz KVDWJNZQYDEYPR-UHFFFAOYSA-N -1 1 359.306 0.337 20 5 FCBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2C(=O)O[C@@H]3[C@H]4OC(C)(C)O[C@H]4O[C@H]23)n1 ZINC001231265046 1226102501 /nfs/dbraw/zinc/10/25/01/1226102501.db2.gz VWXBYTKGZIUNRU-MOUCOTEISA-N -1 1 368.298 0.553 20 5 FCBDMM O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001155134096 1223026396 /nfs/dbraw/zinc/02/63/96/1223026396.db2.gz ANMPPOMPEWDCIU-JTQLQIEISA-N -1 1 374.357 0.974 20 5 FCBDMM Cn1c(Cc2nnn[n-]2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001344388635 1270165861 /nfs/dbraw/zinc/16/58/61/1270165861.db2.gz PMLOXRQROYPXDQ-UHFFFAOYSA-N -1 1 370.377 0.154 20 5 FCBDMM Cn1c(Cc2nn[n-]n2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001344388635 1270165865 /nfs/dbraw/zinc/16/58/65/1270165865.db2.gz PMLOXRQROYPXDQ-UHFFFAOYSA-N -1 1 370.377 0.154 20 5 FCBDMM CN(Cc1ncc[nH]1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001579266194 1277063390 /nfs/dbraw/zinc/06/33/90/1277063390.db2.gz WOHMKZSTBPDCOG-UHFFFAOYSA-N -1 1 364.347 0.319 20 5 FCBDMM C[C@H]1CSC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001603946408 1287543119 /nfs/dbraw/zinc/54/31/19/1287543119.db2.gz CVSCAXWPTPMBMX-JGVFFNPUSA-N -1 1 370.416 0.805 20 5 FCBDMM CC(C)(C)OCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001589197114 1282815247 /nfs/dbraw/zinc/81/52/47/1282815247.db2.gz CKGDPLSXAGHBJG-UHFFFAOYSA-N -1 1 370.391 0.868 20 5 FCBDMM CC(C)(C)OCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001589197114 1282815258 /nfs/dbraw/zinc/81/52/58/1282815258.db2.gz CKGDPLSXAGHBJG-UHFFFAOYSA-N -1 1 370.391 0.868 20 5 FCBDMM CC(C)(CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])S(C)(=O)=O ZINC001589276407 1282824975 /nfs/dbraw/zinc/82/49/75/1282824975.db2.gz XOTGQAVZIDNFGV-UHFFFAOYSA-N -1 1 355.380 0.795 20 5 FCBDMM CC(C)(CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])S(C)(=O)=O ZINC001589276407 1282824983 /nfs/dbraw/zinc/82/49/83/1282824983.db2.gz XOTGQAVZIDNFGV-UHFFFAOYSA-N -1 1 355.380 0.795 20 5 FCBDMM C[C@H](CCCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001589820003 1283057947 /nfs/dbraw/zinc/05/79/47/1283057947.db2.gz DGLOQZSIOIOCDD-MRVPVSSYSA-N -1 1 356.364 0.214 20 5 FCBDMM C[C@H](CCCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001589820003 1283057952 /nfs/dbraw/zinc/05/79/52/1283057952.db2.gz DGLOQZSIOIOCDD-MRVPVSSYSA-N -1 1 356.364 0.214 20 5 FCBDMM C[C@@H](O)CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001589997354 1283165164 /nfs/dbraw/zinc/16/51/64/1283165164.db2.gz AFGSUMPVPBEFSY-MRVPVSSYSA-N -1 1 356.364 0.214 20 5 FCBDMM C[C@@H](O)CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001589997354 1283165167 /nfs/dbraw/zinc/16/51/67/1283165167.db2.gz AFGSUMPVPBEFSY-MRVPVSSYSA-N -1 1 356.364 0.214 20 5 FCBDMM C[C@H](O)CN1CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001604387285 1287629403 /nfs/dbraw/zinc/62/94/03/1287629403.db2.gz MYYQUKBNHDFROH-LBPRGKRZSA-N -1 1 353.375 0.557 20 5 FCBDMM C[C@@H]1CCC(=O)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590218546 1283349682 /nfs/dbraw/zinc/34/96/82/1283349682.db2.gz JNGNLTZPIGWXKP-MRVPVSSYSA-N -1 1 366.359 0.517 20 5 FCBDMM C[C@@H]1CCC(=O)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590218546 1283349692 /nfs/dbraw/zinc/34/96/92/1283349692.db2.gz JNGNLTZPIGWXKP-MRVPVSSYSA-N -1 1 366.359 0.517 20 5 FCBDMM C[C@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCS1(=O)=O ZINC001590276455 1283402294 /nfs/dbraw/zinc/40/22/94/1283402294.db2.gz LHCNCEFZMKFRTH-QMMMGPOBSA-N -1 1 353.364 0.183 20 5 FCBDMM C[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCS1(=O)=O ZINC001590276455 1283402304 /nfs/dbraw/zinc/40/23/04/1283402304.db2.gz LHCNCEFZMKFRTH-QMMMGPOBSA-N -1 1 353.364 0.183 20 5 FCBDMM CCC[C@@H](O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590561071 1283608339 /nfs/dbraw/zinc/60/83/39/1283608339.db2.gz UNABWYOQGVVGJI-SNVBAGLBSA-N -1 1 370.391 0.604 20 5 FCBDMM CCC[C@@H](O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590561071 1283608353 /nfs/dbraw/zinc/60/83/53/1283608353.db2.gz UNABWYOQGVVGJI-SNVBAGLBSA-N -1 1 370.391 0.604 20 5 FCBDMM CCn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)c2cccc([N+](=O)[O-])c2)c1=O ZINC001590950262 1283999055 /nfs/dbraw/zinc/99/90/55/1283999055.db2.gz ZCAKRVDEXXXLMJ-UHFFFAOYSA-N -1 1 371.313 0.001 20 5 FCBDMM CN(C)C(=O)OCCn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001591004809 1284068082 /nfs/dbraw/zinc/06/80/82/1284068082.db2.gz SUQHTVWCNRQBLV-UHFFFAOYSA-N -1 1 373.329 0.788 20 5 FCBDMM CN(Cc1ccon1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591149865 1284219657 /nfs/dbraw/zinc/21/96/57/1284219657.db2.gz DFDHDZOPRWGMSH-UHFFFAOYSA-N -1 1 365.331 0.584 20 5 FCBDMM CN(Cc1ccon1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591149865 1284219666 /nfs/dbraw/zinc/21/96/66/1284219666.db2.gz DFDHDZOPRWGMSH-UHFFFAOYSA-N -1 1 365.331 0.584 20 5 FCBDMM COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001591554551 1284730287 /nfs/dbraw/zinc/73/02/87/1284730287.db2.gz CYCXKJHYXZVAMK-UHFFFAOYSA-N -1 1 371.313 0.584 20 5 FCBDMM CS(=O)(=O)N1CC[C@@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001591680866 1284820665 /nfs/dbraw/zinc/82/06/65/1284820665.db2.gz SLQUVVRVQBSHKP-VIFPVBQESA-N -1 1 367.391 0.468 20 5 FCBDMM CS(=O)(=O)N1CC[C@@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001591680866 1284820675 /nfs/dbraw/zinc/82/06/75/1284820675.db2.gz SLQUVVRVQBSHKP-VIFPVBQESA-N -1 1 367.391 0.468 20 5 FCBDMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@H]1CS(N)(=O)=O ZINC001591745857 1284872400 /nfs/dbraw/zinc/87/24/00/1284872400.db2.gz NFBPUMGHPQLJJU-RQJHMYQMSA-N -1 1 373.420 0.197 20 5 FCBDMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@H]1CS(N)(=O)=O ZINC001591745857 1284872413 /nfs/dbraw/zinc/87/24/13/1284872413.db2.gz NFBPUMGHPQLJJU-RQJHMYQMSA-N -1 1 373.420 0.197 20 5 FCBDMM Cc1c(-c2nn[n-]n2)c(=O)n(/C=C\c2ccc([N+](=O)[O-])o2)c(=O)n1C1CC1 ZINC001591795002 1284909763 /nfs/dbraw/zinc/90/97/63/1284909763.db2.gz UUHYYVZMUSNGSF-SREVYHEPSA-N -1 1 371.313 0.963 20 5 FCBDMM Cc1c(-c2nnn[n-]2)c(NC(=O)COc2ccccc2[N+](=O)[O-])nn1C ZINC001591796793 1284911285 /nfs/dbraw/zinc/91/12/85/1284911285.db2.gz PPWUULONIRVDHT-UHFFFAOYSA-N -1 1 358.318 0.834 20 5 FCBDMM Cc1c(-c2nn[n-]n2)c(NC(=O)COc2ccccc2[N+](=O)[O-])nn1C ZINC001591796793 1284911290 /nfs/dbraw/zinc/91/12/90/1284911290.db2.gz PPWUULONIRVDHT-UHFFFAOYSA-N -1 1 358.318 0.834 20 5 FCBDMM Cc1c(CNC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)cccc1[N+](=O)[O-] ZINC001591819537 1284927261 /nfs/dbraw/zinc/92/72/61/1284927261.db2.gz XXHVYXOHJRGJDC-SECBINFHSA-N -1 1 357.334 0.552 20 5 FCBDMM Cc1c(COC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)cccc1[N+](=O)[O-] ZINC001591819364 1284927446 /nfs/dbraw/zinc/92/74/46/1284927446.db2.gz ZUGDBLLEQBRBRM-SECBINFHSA-N -1 1 358.318 0.979 20 5 FCBDMM Cc1ccc(Cn2c(=O)c(-c3nn[n-]n3)c(C)n(C)c2=O)cc1[N+](=O)[O-] ZINC001592172156 1285168872 /nfs/dbraw/zinc/16/88/72/1285168872.db2.gz YRQVDWRMUUEMBV-UHFFFAOYSA-N -1 1 357.330 0.300 20 5 FCBDMM Cc1nc([N+](=O)[O-])cn1CCC(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001592399507 1285310628 /nfs/dbraw/zinc/31/06/28/1285310628.db2.gz KCLYTSLTFFHCFG-UHFFFAOYSA-N -1 1 358.318 0.780 20 5 FCBDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001604788983 1287781410 /nfs/dbraw/zinc/78/14/10/1287781410.db2.gz SWEYZTJRMWFJED-XHDPSFHLSA-N -1 1 351.359 0.636 20 5 FCBDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001592940114 1285830852 /nfs/dbraw/zinc/83/08/52/1285830852.db2.gz PMLFKOKVMGPDIO-UHFFFAOYSA-N -1 1 369.345 0.736 20 5 FCBDMM O=C(NC1CC1)N[C@@H]1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001592967487 1285851800 /nfs/dbraw/zinc/85/18/00/1285851800.db2.gz PBWRGOMIFWNBIJ-MRVPVSSYSA-N -1 1 364.391 0.877 20 5 FCBDMM O=C(NC1CC1)N[C@@H]1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001592967487 1285851802 /nfs/dbraw/zinc/85/18/02/1285851802.db2.gz PBWRGOMIFWNBIJ-MRVPVSSYSA-N -1 1 364.391 0.877 20 5 FCBDMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001593148072 1286019726 /nfs/dbraw/zinc/01/97/26/1286019726.db2.gz OFLGQUUWSWGMFD-UHFFFAOYSA-N -1 1 365.313 0.976 20 5 FCBDMM O=C1N[C@@H]2C[N@H+](Cc3c(-c4nn[nH]n4)cccc3[N+](=O)[O-])CC[C@H]2CO1 ZINC001593410232 1286133523 /nfs/dbraw/zinc/13/35/23/1286133523.db2.gz IPUFUSKHBYTYPA-JOYOIKCWSA-N -1 1 359.346 0.705 20 5 FCBDMM O=[N+]([O-])c1c(NC/C=C\CO)cc(NC/C=C/CO)cc1-c1nnn[n-]1 ZINC001593466069 1286170592 /nfs/dbraw/zinc/17/05/92/1286170592.db2.gz VVTKGVRHQHRSPW-TZFCGSKZSA-N -1 1 361.362 0.696 20 5 FCBDMM O=[N+]([O-])c1c(NC/C=C\CO)cc(NC/C=C/CO)cc1-c1nn[n-]n1 ZINC001593466069 1286170596 /nfs/dbraw/zinc/17/05/96/1286170596.db2.gz VVTKGVRHQHRSPW-TZFCGSKZSA-N -1 1 361.362 0.696 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](CO)Cc1cccnc1 ZINC001593465507 1286171346 /nfs/dbraw/zinc/17/13/46/1286171346.db2.gz CEQCGNGJOUAMRF-NSHDSACASA-N -1 1 356.346 0.828 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](CO)Cc1cccnc1 ZINC001593465507 1286171351 /nfs/dbraw/zinc/17/13/51/1286171351.db2.gz CEQCGNGJOUAMRF-NSHDSACASA-N -1 1 356.346 0.828 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CC[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001593485554 1286173614 /nfs/dbraw/zinc/17/36/14/1286173614.db2.gz RBJHUHBEDUHRHE-RKDXNWHRSA-N -1 1 368.375 0.214 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N(CCO)C2CCC2)c1-c1nn[n-]n1 ZINC001593483686 1286174819 /nfs/dbraw/zinc/17/48/19/1286174819.db2.gz CCYAAWDPSATENM-UHFFFAOYSA-N -1 1 368.375 0.310 20 5 FCBDMM Cc1cc(C(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC001600079200 1286437207 /nfs/dbraw/zinc/43/72/07/1286437207.db2.gz GRQZIVRGMZWZGA-UHFFFAOYSA-N -1 1 364.402 0.677 20 5 FCBDMM O=C([O-])CNC(=O)c1ccc(NCCN2CCCOCC2)c([N+](=O)[O-])c1 ZINC001602074939 1286929310 /nfs/dbraw/zinc/92/93/10/1286929310.db2.gz YCKSEVFWVVAGHN-UHFFFAOYSA-N -1 1 366.374 0.543 20 5 FCBDMM CNS(=O)(=O)C[C@H]1CCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604893831 1287809548 /nfs/dbraw/zinc/80/95/48/1287809548.db2.gz WTZXFBAQHXHXSS-SNVBAGLBSA-N -1 1 367.391 0.293 20 5 FCBDMM COC(=O)C1(O)CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001604919116 1287815419 /nfs/dbraw/zinc/81/54/19/1287815419.db2.gz RXJJFDWVXBMIOL-UHFFFAOYSA-N -1 1 354.348 0.341 20 5 FCBDMM COC(=O)C1(O)CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001604919116 1287815420 /nfs/dbraw/zinc/81/54/20/1287815420.db2.gz RXJJFDWVXBMIOL-UHFFFAOYSA-N -1 1 354.348 0.341 20 5 FCBDMM CS(=O)(=O)[C@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001605353264 1287933579 /nfs/dbraw/zinc/93/35/79/1287933579.db2.gz XITJYQGQVOBSAS-VIFPVBQESA-N -1 1 367.391 0.371 20 5 FCBDMM CS(=O)(=O)[C@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001605353264 1287933583 /nfs/dbraw/zinc/93/35/83/1287933583.db2.gz XITJYQGQVOBSAS-VIFPVBQESA-N -1 1 367.391 0.371 20 5 FCBDMM CS(=O)(=O)C[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001605353338 1287933636 /nfs/dbraw/zinc/93/36/36/1287933636.db2.gz AXXDYFUXKZZQBS-MRVPVSSYSA-N -1 1 353.364 0.041 20 5 FCBDMM CS(=O)(=O)C[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001605353338 1287933640 /nfs/dbraw/zinc/93/36/40/1287933640.db2.gz AXXDYFUXKZZQBS-MRVPVSSYSA-N -1 1 353.364 0.041 20 5 FCBDMM CS(=O)(=O)C[C@@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001605353379 1287933920 /nfs/dbraw/zinc/93/39/20/1287933920.db2.gz DFANTZAQMWCLNY-ZETCQYMHSA-N -1 1 374.404 0.086 20 5 FCBDMM CS(=O)(=O)C[C@@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001605353379 1287933925 /nfs/dbraw/zinc/93/39/25/1287933925.db2.gz DFANTZAQMWCLNY-ZETCQYMHSA-N -1 1 374.404 0.086 20 5 FCBDMM CN1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C[C@@H](C(=O)[O-])C1 ZINC001606235856 1288224425 /nfs/dbraw/zinc/22/44/25/1288224425.db2.gz OVJIXMPYIWRZAG-NSHDSACASA-N -1 1 374.357 0.264 20 5 FCBDMM Nc1cc(N2CC[C@@H](CN3CCCC3=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606451127 1288324332 /nfs/dbraw/zinc/32/43/32/1288324332.db2.gz LUNKIVWGPLLWOW-SNVBAGLBSA-N -1 1 372.389 0.806 20 5 FCBDMM Nc1cc(N2CC[C@@H](CN3CCCC3=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606451127 1288324337 /nfs/dbraw/zinc/32/43/37/1288324337.db2.gz LUNKIVWGPLLWOW-SNVBAGLBSA-N -1 1 372.389 0.806 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)N(C2CC2)C2COC2)c1 ZINC001607080332 1288649987 /nfs/dbraw/zinc/64/99/87/1288649987.db2.gz UPNGAJQVHFTPTE-UHFFFAOYSA-N -1 1 366.359 0.327 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)N(C2CC2)C2COC2)c1 ZINC001607080332 1288649989 /nfs/dbraw/zinc/64/99/89/1288649989.db2.gz UPNGAJQVHFTPTE-UHFFFAOYSA-N -1 1 366.359 0.327 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)N[C@H]2CCSC2)c1 ZINC001607078870 1288650845 /nfs/dbraw/zinc/65/08/45/1288650845.db2.gz AZEIBYSKACSZEE-ZETCQYMHSA-N -1 1 356.389 0.559 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)N[C@H]2CCSC2)c1 ZINC001607078870 1288650849 /nfs/dbraw/zinc/65/08/49/1288650849.db2.gz AZEIBYSKACSZEE-ZETCQYMHSA-N -1 1 356.389 0.559 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]3C[C@H]3C2)c1-c1nn[n-]n1 ZINC001607084458 1288651641 /nfs/dbraw/zinc/65/16/41/1288651641.db2.gz HRAICOAKFLURNI-IUCAKERBSA-N -1 1 350.360 0.805 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)NCC2CCOCC2)c1 ZINC001607080715 1288651839 /nfs/dbraw/zinc/65/18/39/1288651839.db2.gz ZGUMPJPLPFVRMT-UHFFFAOYSA-N -1 1 368.375 0.480 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)NCC2CCOCC2)c1 ZINC001607080715 1288651842 /nfs/dbraw/zinc/65/18/42/1288651842.db2.gz ZGUMPJPLPFVRMT-UHFFFAOYSA-N -1 1 368.375 0.480 20 5 FCBDMM O=[N+]([O-])c1ccc(NC(=S)NCCn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001607082939 1288652155 /nfs/dbraw/zinc/65/21/55/1288652155.db2.gz XQHNDEYWOKXYBY-UHFFFAOYSA-N -1 1 360.363 0.353 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)NCc2ccccn2)c1 ZINC001607082386 1288652601 /nfs/dbraw/zinc/65/26/01/1288652601.db2.gz OGLJMEYOAIUDBN-UHFFFAOYSA-N -1 1 361.343 0.648 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)NCc2ccccn2)c1 ZINC001607082386 1288652608 /nfs/dbraw/zinc/65/26/08/1288652608.db2.gz OGLJMEYOAIUDBN-UHFFFAOYSA-N -1 1 361.343 0.648 20 5 FCBDMM O=c1[nH]c(=O)n(C2CN(c3ccc(F)cc3[N+](=O)[O-])C2)cc1-c1nn[n-]n1 ZINC001607088712 1288656834 /nfs/dbraw/zinc/65/68/34/1288656834.db2.gz VKZWHJLWHGINIK-UHFFFAOYSA-N -1 1 374.292 0.238 20 5 FCBDMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001608357378 1288829843 /nfs/dbraw/zinc/82/98/43/1288829843.db2.gz HRLLJAJZYCYMSI-LBPRGKRZSA-N -1 1 354.269 0.951 20 5 FCBDMM C[C@H](N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(C)(C)O ZINC001609117126 1288928689 /nfs/dbraw/zinc/92/86/89/1288928689.db2.gz JVSNRSBGGWNCTH-QMMMGPOBSA-N -1 1 370.391 0.555 20 5 FCBDMM C[C@@H](NC(=O)NCCn1cnc(-c2nn[n-]n2)n1)c1cccc([N+](=O)[O-])c1 ZINC001609120306 1288931871 /nfs/dbraw/zinc/93/18/71/1288931871.db2.gz DRJRTMHXUBNCHI-SECBINFHSA-N -1 1 372.349 0.427 20 5 FCBDMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1cccc([N+](=O)[O-])c1 ZINC001609126384 1288933447 /nfs/dbraw/zinc/93/34/47/1288933447.db2.gz QPPVXPUFQHULGX-MRVPVSSYSA-N -1 1 372.345 0.345 20 5 FCBDMM C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC001609176501 1288970182 /nfs/dbraw/zinc/97/01/82/1288970182.db2.gz XWYJQAKQSMBOAS-HTQZYQBOSA-N -1 1 353.364 0.182 20 5 FCBDMM C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC001609176501 1288970183 /nfs/dbraw/zinc/97/01/83/1288970183.db2.gz XWYJQAKQSMBOAS-HTQZYQBOSA-N -1 1 353.364 0.182 20 5 FCBDMM CC[C@H](CNS(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609190692 1288978344 /nfs/dbraw/zinc/97/83/44/1288978344.db2.gz SMCBPKHMCHZBMZ-MRVPVSSYSA-N -1 1 355.380 0.515 20 5 FCBDMM O=[N+]([O-])c1cccnc1N1CCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001609603502 1289258154 /nfs/dbraw/zinc/25/81/54/1289258154.db2.gz ITUWOWXBVKDYAT-UHFFFAOYSA-N -1 1 354.334 0.287 20 5 FCBDMM O=[N+]([O-])c1cccnc1N1CCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001609603502 1289258158 /nfs/dbraw/zinc/25/81/58/1289258158.db2.gz ITUWOWXBVKDYAT-UHFFFAOYSA-N -1 1 354.334 0.287 20 5 FCBDMM O=c1c(-c2nn[n-]n2)cn(Cc2ncccn2)c2ccc([N+](=O)[O-])cc12 ZINC001609603793 1289258165 /nfs/dbraw/zinc/25/81/65/1289258165.db2.gz DMPXWJVJCIGENG-UHFFFAOYSA-N -1 1 350.298 0.928 20 5 FCBDMM Cc1c(NC(=O)C(=O)N2C[C@@H](C)NC[C@@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610417512 1289483032 /nfs/dbraw/zinc/48/30/32/1289483032.db2.gz MVWNCEJJYZTSQM-BDAKNGLRSA-N -1 1 364.358 0.749 20 5 FCBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001610515228 1289499563 /nfs/dbraw/zinc/49/95/63/1289499563.db2.gz ZOMBKEFALKFVBK-NSHDSACASA-N -1 1 364.358 0.317 20 5 FCBDMM CC(C)(C)OC(=O)CNC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000750814906 836446977 /nfs/dbraw/zinc/44/69/77/836446977.db2.gz WNDYMKFONSUXRD-UHFFFAOYSA-N -1 1 354.315 0.915 20 5 FCBDMM O=c1ncc(Br)c(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)[n-]1 ZINC001227138943 857146054 /nfs/dbraw/zinc/14/60/54/857146054.db2.gz WHKFDWMBMFNAJY-YFKPBYRVSA-N -1 1 358.108 0.889 20 5 FCBDMM CCOC(=O)C1(C(=O)OCC)CC(Oc2nc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228141526 857193458 /nfs/dbraw/zinc/19/34/58/857193458.db2.gz RPEVVQRICDSLII-UHFFFAOYSA-N -1 1 355.303 0.744 20 5 FCBDMM CCOC(=O)c1cnc(=S)[n-]c1O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC001228552055 857215470 /nfs/dbraw/zinc/21/54/70/857215470.db2.gz HFRRIRYAVQZODN-ZETCQYMHSA-N -1 1 367.343 0.887 20 5 FCBDMM CN1C(=O)N=NC1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001309814443 866905719 /nfs/dbraw/zinc/90/57/19/866905719.db2.gz OOCRSJCZWUKTQJ-UHFFFAOYSA-N -1 1 365.730 0.700 20 5 FCBDMM 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-1 1 369.407 0.858 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826500303 607572977 /nfs/dbraw/zinc/57/29/77/607572977.db2.gz SSEGHEOYZZTBOI-QMMMGPOBSA-N -1 1 354.348 0.232 20 5 FCBDMM CN(c1cccnc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826009948 607615419 /nfs/dbraw/zinc/61/54/19/607615419.db2.gz AGSUNAIMUSNVRP-UHFFFAOYSA-N -1 1 361.343 0.995 20 5 FCBDMM CC[C@@H](COC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825122378 607620758 /nfs/dbraw/zinc/62/07/58/607620758.db2.gz YEDOEMHBHAOFRQ-QMMMGPOBSA-N -1 1 356.364 0.478 20 5 FCBDMM CCCN(CCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825313709 607622669 /nfs/dbraw/zinc/62/26/69/607622669.db2.gz PJPBMBLODVLTKH-UHFFFAOYSA-N -1 1 356.364 0.168 20 5 FCBDMM CCC[C@@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825233467 607635914 /nfs/dbraw/zinc/63/59/14/607635914.db2.gz PULKMOCDLLZRRT-CYBMUJFWSA-N -1 1 370.391 0.604 20 5 FCBDMM C[C@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCCO1 ZINC000824823922 607668795 /nfs/dbraw/zinc/66/87/95/607668795.db2.gz QRUYXGVNCMSKAA-CYBMUJFWSA-N -1 1 368.375 0.622 20 5 FCBDMM CCN1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000833655916 605397234 /nfs/dbraw/zinc/39/72/34/605397234.db2.gz HLCJNSHBJKGOIC-SKDRFNHKSA-N -1 1 357.388 0.912 20 5 FCBDMM Cn1cc(CN2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cn1 ZINC000822679518 606708349 /nfs/dbraw/zinc/70/83/49/606708349.db2.gz FDCUJCQZFNZTET-UHFFFAOYSA-N -1 1 370.377 0.226 20 5 FCBDMM Cn1cc(CN2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cn1 ZINC000822679518 606708352 /nfs/dbraw/zinc/70/83/52/606708352.db2.gz FDCUJCQZFNZTET-UHFFFAOYSA-N -1 1 370.377 0.226 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCCN(c2cccnn2)CC1 ZINC000823619738 606708789 /nfs/dbraw/zinc/70/87/89/606708789.db2.gz AFUTZVYVLGCDPY-UHFFFAOYSA-N -1 1 368.361 0.677 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCCN(c2cccnn2)CC1 ZINC000823619738 606708791 /nfs/dbraw/zinc/70/87/91/606708791.db2.gz AFUTZVYVLGCDPY-UHFFFAOYSA-N -1 1 368.361 0.677 20 5 FCBDMM Cc1nsc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)n1 ZINC000822535134 606714171 /nfs/dbraw/zinc/71/41/71/606714171.db2.gz HQTLEIMKVGAESH-UHFFFAOYSA-N -1 1 374.390 0.656 20 5 FCBDMM Cc1nsc(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)n1 ZINC000822535134 606714173 /nfs/dbraw/zinc/71/41/73/606714173.db2.gz HQTLEIMKVGAESH-UHFFFAOYSA-N -1 1 374.390 0.656 20 5 FCBDMM Cn1cc([C@@H]2CN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CCO2)cn1 ZINC000822674536 606717333 /nfs/dbraw/zinc/71/73/33/606717333.db2.gz WRJCXUCBBJTORJ-NSHDSACASA-N -1 1 357.334 0.481 20 5 FCBDMM Cn1cc([C@@H]2CN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CCO2)cn1 ZINC000822674536 606717335 /nfs/dbraw/zinc/71/73/35/606717335.db2.gz WRJCXUCBBJTORJ-NSHDSACASA-N -1 1 357.334 0.481 20 5 FCBDMM COCc1nc2n(n1)C[C@H](Nc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC000821696588 606719848 /nfs/dbraw/zinc/71/98/48/606719848.db2.gz IRFCGBVIOALXQM-MRVPVSSYSA-N -1 1 372.349 0.335 20 5 FCBDMM COCc1nc2n(n1)C[C@H](Nc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC000821696588 606719850 /nfs/dbraw/zinc/71/98/50/606719850.db2.gz IRFCGBVIOALXQM-MRVPVSSYSA-N -1 1 372.349 0.335 20 5 FCBDMM CO[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000821679961 606733126 /nfs/dbraw/zinc/73/31/26/606733126.db2.gz UPPYMYVXVIDSCP-VIFPVBQESA-N -1 1 368.375 0.574 20 5 FCBDMM COC[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821684830 606736514 /nfs/dbraw/zinc/73/65/14/606736514.db2.gz LSLVIUDQOMCJFI-VIFPVBQESA-N -1 1 368.375 0.574 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCCN(CC(F)F)CC1 ZINC000826497660 608302629 /nfs/dbraw/zinc/30/26/29/608302629.db2.gz OWYLGSKEKIGBDB-UHFFFAOYSA-N -1 1 354.321 0.947 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCCN(CC(F)F)CC1 ZINC000826497660 608302630 /nfs/dbraw/zinc/30/26/30/608302630.db2.gz OWYLGSKEKIGBDB-UHFFFAOYSA-N -1 1 354.321 0.947 20 5 FCBDMM NC(=O)c1cccc(CSc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000826394127 609580110 /nfs/dbraw/zinc/58/01/10/609580110.db2.gz XSGRLFDEFYJOBH-UHFFFAOYSA-N -1 1 358.343 0.956 20 5 FCBDMM O=C(NCc1nn[n-]n1)c1cc([N+](=O)[O-])ccc1I ZINC000044931807 666541750 /nfs/dbraw/zinc/54/17/50/666541750.db2.gz BFEKVXSIZXIUSO-UHFFFAOYSA-N -1 1 374.098 0.643 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCN(C(=O)OC)C2)c([N+](=O)[O-])n1 ZINC000754802620 667611290 /nfs/dbraw/zinc/61/12/90/667611290.db2.gz HDOCBRIGIGVHPJ-SECBINFHSA-N -1 1 361.380 0.320 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]CC[S@@](=O)C(C)(C)C)c([N+](=O)[O-])n1 ZINC000754805747 667611390 /nfs/dbraw/zinc/61/13/90/667611390.db2.gz QSNLPZQGYITAQR-OAQYLSRUSA-N -1 1 352.438 0.637 20 5 FCBDMM Cc1nn(CCC(=O)N2CCSC[C@H]2c2nn[n-]n2)c(C)c1[N+](=O)[O-] ZINC000773162741 668077739 /nfs/dbraw/zinc/07/77/39/668077739.db2.gz PEMZIQLPCXBOOP-JTQLQIEISA-N -1 1 366.407 0.628 20 5 FCBDMM O=C(NCC1(O)CCC2(CC1)OCCO2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770536511 668201425 /nfs/dbraw/zinc/20/14/25/668201425.db2.gz ODQXBAXUCIYQDY-UHFFFAOYSA-N -1 1 353.331 0.473 20 5 FCBDMM CS(=O)(=O)Cc1noc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000780074545 668454686 /nfs/dbraw/zinc/45/46/86/668454686.db2.gz GDQCXXGFRDQWIW-UHFFFAOYSA-N -1 1 357.300 0.585 20 5 FCBDMM NC(=O)NC(=O)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815024914 669895810 /nfs/dbraw/zinc/89/58/10/669895810.db2.gz BWYHXWIHQDOWCR-UHFFFAOYSA-N -1 1 368.730 0.251 20 5 FCBDMM NC(=O)COCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815026151 669895854 /nfs/dbraw/zinc/89/58/54/669895854.db2.gz OSZTUSXJFDPMDY-UHFFFAOYSA-N -1 1 355.731 0.168 20 5 FCBDMM O=C([N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2)[C@@H]1CC1[N+](=O)[O-] ZINC000842330616 670668973 /nfs/dbraw/zinc/66/89/73/670668973.db2.gz OBCNPUSLBGAGBY-HTRCEHHLSA-N -1 1 362.747 0.581 20 5 FCBDMM O=C([O-])[C@]1(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCOC1 ZINC000849230346 671323039 /nfs/dbraw/zinc/32/30/39/671323039.db2.gz BCTJSIHUERFJKW-NSHDSACASA-N -1 1 368.726 0.909 20 5 FCBDMM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000780074825 1218177217 /nfs/dbraw/zinc/17/72/17/1218177217.db2.gz KLVPGPGGZLNYST-LBPRGKRZSA-N -1 1 365.342 0.584 20 5 FCBDMM Cc1[nH]nc(C(=O)[N-]N2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1[N+](=O)[O-] ZINC000749721057 1219807964 /nfs/dbraw/zinc/80/79/64/1219807964.db2.gz STKSLJVMBOEZRU-HNNXBMFYSA-N -1 1 358.314 0.738 20 5 FCBDMM CC(=O)Nc1nc(C)c([N+](=O)[O-])c(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)n1 ZINC001159194425 1223120880 /nfs/dbraw/zinc/12/08/80/1223120880.db2.gz BBYIXNWAONKWIV-UHFFFAOYSA-N -1 1 361.278 0.424 20 5 FCBDMM CNS(=O)(=O)C1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001579425289 1277296024 /nfs/dbraw/zinc/29/60/24/1277296024.db2.gz ZWCQXEKGLRKMJF-UHFFFAOYSA-N -1 1 367.391 0.293 20 5 FCBDMM CNS(=O)(=O)C1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001579425289 1277296031 /nfs/dbraw/zinc/29/60/31/1277296031.db2.gz ZWCQXEKGLRKMJF-UHFFFAOYSA-N -1 1 367.391 0.293 20 5 FCBDMM COC(=O)c1cccc(C(=O)Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)c1 ZINC001579485961 1277398485 /nfs/dbraw/zinc/39/84/85/1277398485.db2.gz AICAFNXWMKRPCA-UHFFFAOYSA-N -1 1 357.286 0.641 20 5 FCBDMM CO[C@@]1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001579602368 1277633195 /nfs/dbraw/zinc/63/31/95/1277633195.db2.gz HUBFCEJMNNDJMH-CYBMUJFWSA-N -1 1 368.375 0.391 20 5 FCBDMM CO[C@@]1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001579602368 1277633199 /nfs/dbraw/zinc/63/31/99/1277633199.db2.gz HUBFCEJMNNDJMH-CYBMUJFWSA-N -1 1 368.375 0.391 20 5 FCBDMM Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581531654 1280090733 /nfs/dbraw/zinc/09/07/33/1280090733.db2.gz ABHDVXQHHFQNQE-UHFFFAOYSA-N -1 1 363.363 0.443 20 5 FCBDMM Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581531654 1280090743 /nfs/dbraw/zinc/09/07/43/1280090743.db2.gz ABHDVXQHHFQNQE-UHFFFAOYSA-N -1 1 363.363 0.443 20 5 FCBDMM CCCN(CC(F)(F)F)C(=O)Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001604200277 1287589361 /nfs/dbraw/zinc/58/93/61/1287589361.db2.gz AVWVSCCYHPRCLQ-UHFFFAOYSA-N -1 1 362.272 0.772 20 5 FCBDMM CC(C)NS(=O)(=O)NCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589729242 1282965486 /nfs/dbraw/zinc/96/54/86/1282965486.db2.gz BTJDOEICDDBTNT-UHFFFAOYSA-N -1 1 370.395 0.019 20 5 FCBDMM CC(C)NS(=O)(=O)NCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589729242 1282965493 /nfs/dbraw/zinc/96/54/93/1282965493.db2.gz BTJDOEICDDBTNT-UHFFFAOYSA-N -1 1 370.395 0.019 20 5 FCBDMM C[C@H](CNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)c1ccccc1[N+](=O)[O-] ZINC001589850700 1283086757 /nfs/dbraw/zinc/08/67/57/1283086757.db2.gz HGPIUBYBZZAGQM-ZJUUUORDSA-N -1 1 371.361 0.847 20 5 FCBDMM CC(F)(F)CN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001589910371 1283118983 /nfs/dbraw/zinc/11/89/83/1283118983.db2.gz DJGQCSZAIWRBRH-UHFFFAOYSA-N -1 1 354.321 0.947 20 5 FCBDMM CC(F)(F)CN1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001589910371 1283118986 /nfs/dbraw/zinc/11/89/86/1283118986.db2.gz DJGQCSZAIWRBRH-UHFFFAOYSA-N -1 1 354.321 0.947 20 5 FCBDMM CC1(C)[C@@H](O)C[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590077804 1283205019 /nfs/dbraw/zinc/20/50/19/1283205019.db2.gz PJWGMHIJIQTMLW-QWRGUYRKSA-N -1 1 368.375 0.213 20 5 FCBDMM CC1(C)[C@@H](O)C[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590077804 1283205027 /nfs/dbraw/zinc/20/50/27/1283205027.db2.gz PJWGMHIJIQTMLW-QWRGUYRKSA-N -1 1 368.375 0.213 20 5 FCBDMM C[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590171702 1283268728 /nfs/dbraw/zinc/26/87/28/1283268728.db2.gz WYTIKMCQOACSBH-BDAKNGLRSA-N -1 1 368.375 0.166 20 5 FCBDMM C[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590171702 1283268737 /nfs/dbraw/zinc/26/87/37/1283268737.db2.gz WYTIKMCQOACSBH-BDAKNGLRSA-N -1 1 368.375 0.166 20 5 FCBDMM C[C@@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CS1 ZINC001590207653 1283329867 /nfs/dbraw/zinc/32/98/67/1283329867.db2.gz SXRRNOBFQWHEPS-SFYZADRCSA-N -1 1 370.416 0.947 20 5 FCBDMM C[C@@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CS1 ZINC001590207653 1283329878 /nfs/dbraw/zinc/32/98/78/1283329878.db2.gz SXRRNOBFQWHEPS-SFYZADRCSA-N -1 1 370.416 0.947 20 5 FCBDMM CNC(=O)Cn1nc(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1C ZINC001591209901 1284339122 /nfs/dbraw/zinc/33/91/22/1284339122.db2.gz ZBKRSELLHBSJTK-UHFFFAOYSA-N -1 1 357.334 0.769 20 5 FCBDMM CNC(=O)Cn1nc(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1C ZINC001591209901 1284339131 /nfs/dbraw/zinc/33/91/31/1284339131.db2.gz ZBKRSELLHBSJTK-UHFFFAOYSA-N -1 1 357.334 0.769 20 5 FCBDMM CNS(=O)(=O)[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001591219274 1284359837 /nfs/dbraw/zinc/35/98/37/1284359837.db2.gz AEWZAOLVGFHYMA-SNVBAGLBSA-N -1 1 367.391 0.211 20 5 FCBDMM CNS(=O)(=O)[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001591219274 1284359844 /nfs/dbraw/zinc/35/98/44/1284359844.db2.gz AEWZAOLVGFHYMA-SNVBAGLBSA-N -1 1 367.391 0.211 20 5 FCBDMM COC(=O)C[C@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001591264370 1284421393 /nfs/dbraw/zinc/42/13/93/1284421393.db2.gz POZNQYUNXASNRN-ZETCQYMHSA-N -1 1 354.348 0.605 20 5 FCBDMM COC(=O)C[C@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001591264370 1284421396 /nfs/dbraw/zinc/42/13/96/1284421396.db2.gz POZNQYUNXASNRN-ZETCQYMHSA-N -1 1 354.348 0.605 20 5 FCBDMM COC(=O)N1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001591274074 1284428498 /nfs/dbraw/zinc/42/84/98/1284428498.db2.gz SJRRQOSPMORQCK-QMMMGPOBSA-N -1 1 362.350 1.000 20 5 FCBDMM COC(=O)N1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001591274074 1284428503 /nfs/dbraw/zinc/42/85/03/1284428503.db2.gz SJRRQOSPMORQCK-QMMMGPOBSA-N -1 1 362.350 1.000 20 5 FCBDMM CO[C@H]1CC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591356195 1284490864 /nfs/dbraw/zinc/49/08/64/1284490864.db2.gz XNPXFSKLXWGTBT-QWRGUYRKSA-N -1 1 368.375 0.573 20 5 FCBDMM CO[C@H]1CC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591356195 1284490867 /nfs/dbraw/zinc/49/08/67/1284490867.db2.gz XNPXFSKLXWGTBT-QWRGUYRKSA-N -1 1 368.375 0.573 20 5 FCBDMM COC[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C1 ZINC001591394402 1284534764 /nfs/dbraw/zinc/53/47/64/1284534764.db2.gz RGFPBDVSNZAFCK-SECBINFHSA-N -1 1 368.375 0.432 20 5 FCBDMM COC[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)C1 ZINC001591394402 1284534768 /nfs/dbraw/zinc/53/47/68/1284534768.db2.gz RGFPBDVSNZAFCK-SECBINFHSA-N -1 1 368.375 0.432 20 5 FCBDMM COCCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591414072 1284562712 /nfs/dbraw/zinc/56/27/12/1284562712.db2.gz BHFQMNDGTJBTCY-UHFFFAOYSA-N -1 1 356.364 0.432 20 5 FCBDMM COCCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591414072 1284562715 /nfs/dbraw/zinc/56/27/15/1284562715.db2.gz BHFQMNDGTJBTCY-UHFFFAOYSA-N -1 1 356.364 0.432 20 5 FCBDMM COCc1nc2n(n1)C[C@@H](Nc1cccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC001591461046 1284626272 /nfs/dbraw/zinc/62/62/72/1284626272.db2.gz MXCYILPGBNOGDD-VIFPVBQESA-N -1 1 371.361 0.940 20 5 FCBDMM COCc1nc2n(n1)C[C@@H](Nc1cccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC001591461046 1284626285 /nfs/dbraw/zinc/62/62/85/1284626285.db2.gz MXCYILPGBNOGDD-VIFPVBQESA-N -1 1 371.361 0.940 20 5 FCBDMM COc1ccc(COC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)cc1[N+](=O)[O-] ZINC001591601831 1284765700 /nfs/dbraw/zinc/76/57/00/1284765700.db2.gz ICZRYKMUVWUNRV-QMMMGPOBSA-N -1 1 374.317 0.679 20 5 FCBDMM Cc1cc(N2CCc3nn(C)c(=O)cc3C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592009701 1285059119 /nfs/dbraw/zinc/05/91/19/1285059119.db2.gz OKSIQRWCIZIJHI-UHFFFAOYSA-N -1 1 368.357 0.740 20 5 FCBDMM Cc1cc(N2CCc3nn(C)c(=O)cc3C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592009701 1285059122 /nfs/dbraw/zinc/05/91/22/1285059122.db2.gz OKSIQRWCIZIJHI-UHFFFAOYSA-N -1 1 368.357 0.740 20 5 FCBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001592198108 1285179409 /nfs/dbraw/zinc/17/94/09/1285179409.db2.gz XOVXSEMHWLIJQF-UHFFFAOYSA-N -1 1 355.314 0.884 20 5 FCBDMM CN(CCN1CCCS1(=O)=O)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604764306 1287769999 /nfs/dbraw/zinc/76/99/99/1287769999.db2.gz UMFHKYOITMIZCU-UHFFFAOYSA-N -1 1 367.391 0.247 20 5 FCBDMM CN(CCN1CCCS1(=O)=O)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604764306 1287770002 /nfs/dbraw/zinc/77/00/02/1287770002.db2.gz UMFHKYOITMIZCU-UHFFFAOYSA-N -1 1 367.391 0.247 20 5 FCBDMM Cn1nccc1C1(O)CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001592603877 1285542538 /nfs/dbraw/zinc/54/25/38/1285542538.db2.gz CTTQBAPRZMCRTC-UHFFFAOYSA-N -1 1 370.373 0.996 20 5 FCBDMM Cn1nccc1C1(O)CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001592603877 1285542541 /nfs/dbraw/zinc/54/25/41/1285542541.db2.gz CTTQBAPRZMCRTC-UHFFFAOYSA-N -1 1 370.373 0.996 20 5 FCBDMM CN1C(=O)NC2(CCN(c3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)C1=O ZINC001604840824 1287794727 /nfs/dbraw/zinc/79/47/27/1287794727.db2.gz UZMDTYPNLSBHQH-UHFFFAOYSA-N -1 1 372.345 0.296 20 5 FCBDMM CN1C(=O)NC2(CCN(c3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)C1=O ZINC001604840824 1287794733 /nfs/dbraw/zinc/79/47/33/1287794733.db2.gz UZMDTYPNLSBHQH-UHFFFAOYSA-N -1 1 372.345 0.296 20 5 FCBDMM NC(=O)[C@@H](F)C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001592715098 1285601953 /nfs/dbraw/zinc/60/19/53/1285601953.db2.gz HEEXOINRLBBUPE-VIFPVBQESA-N -1 1 350.314 0.210 20 5 FCBDMM NC(=O)[C@@H](F)C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001592715098 1285601966 /nfs/dbraw/zinc/60/19/66/1285601966.db2.gz HEEXOINRLBBUPE-VIFPVBQESA-N -1 1 350.314 0.210 20 5 FCBDMM Nc1cc(N2CCN3C(=O)OCC[C@H]3C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759479 1285680750 /nfs/dbraw/zinc/68/07/50/1285680750.db2.gz CEGVGHZBWAMDFN-QMMMGPOBSA-N -1 1 360.334 0.388 20 5 FCBDMM Nc1cc(N2CCN3C(=O)OCC[C@H]3C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759479 1285680756 /nfs/dbraw/zinc/68/07/56/1285680756.db2.gz CEGVGHZBWAMDFN-QMMMGPOBSA-N -1 1 360.334 0.388 20 5 FCBDMM Nc1cc(N2CC[C@H]3NC(=O)CC[C@H]3C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759469 1285680909 /nfs/dbraw/zinc/68/09/09/1285680909.db2.gz BWGFWHARRGEUFW-QPUJVOFHSA-N -1 1 358.362 0.462 20 5 FCBDMM Nc1cc(N2CC[C@H]3NC(=O)CC[C@H]3C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759469 1285680917 /nfs/dbraw/zinc/68/09/17/1285680917.db2.gz BWGFWHARRGEUFW-QPUJVOFHSA-N -1 1 358.362 0.462 20 5 FCBDMM Nc1cc(N2CCC[C@@H](N3CCNC3=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760303 1285681346 /nfs/dbraw/zinc/68/13/46/1285681346.db2.gz WNRLXGNWOMLALI-SECBINFHSA-N -1 1 373.377 0.351 20 5 FCBDMM Nc1cc(N2CCC[C@@H](N3CCNC3=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760303 1285681356 /nfs/dbraw/zinc/68/13/56/1285681356.db2.gz WNRLXGNWOMLALI-SECBINFHSA-N -1 1 373.377 0.351 20 5 FCBDMM CN(C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21)C1CC1 ZINC001609261583 1289026011 /nfs/dbraw/zinc/02/60/11/1289026011.db2.gz IREOXOJUUAHAOJ-UHFFFAOYSA-N -1 1 369.341 0.711 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)Nc1ccnn1C1CCCC1 ZINC001592937849 1285827260 /nfs/dbraw/zinc/82/72/60/1285827260.db2.gz RDQFMAANDZVGEH-UHFFFAOYSA-N -1 1 372.349 0.922 20 5 FCBDMM O=C(NC1CC1)N[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001592967160 1285851909 /nfs/dbraw/zinc/85/19/09/1285851909.db2.gz KHSDLFMTYDVRMZ-SECBINFHSA-N -1 1 359.350 0.210 20 5 FCBDMM O=C(NC1CC1)N[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001592967160 1285851910 /nfs/dbraw/zinc/85/19/10/1285851910.db2.gz KHSDLFMTYDVRMZ-SECBINFHSA-N -1 1 359.350 0.210 20 5 FCBDMM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593153214 1286024029 /nfs/dbraw/zinc/02/40/29/1286024029.db2.gz STYKYVMQTZUJQS-UHFFFAOYSA-N -1 1 365.313 0.976 20 5 FCBDMM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593153214 1286024036 /nfs/dbraw/zinc/02/40/36/1286024036.db2.gz STYKYVMQTZUJQS-UHFFFAOYSA-N -1 1 365.313 0.976 20 5 FCBDMM O=C1OCCN1CCn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001593421794 1286144286 /nfs/dbraw/zinc/14/42/86/1286144286.db2.gz DSHJBKMEMDZWCT-UHFFFAOYSA-N -1 1 371.313 0.542 20 5 FCBDMM O=[N+]([O-])c1cc(N2CCC[C@@H](n3cc(CO)nn3)C2)ccc1-c1nn[n-]n1 ZINC001593470385 1286172390 /nfs/dbraw/zinc/17/23/90/1286172390.db2.gz CORZYLSXAQPCEM-GFCCVEGCSA-N -1 1 371.361 0.700 20 5 FCBDMM O=[N+]([O-])c1cnc2ccc(F)cc2c1NCCn1cnc(-c2nn[n-]n2)n1 ZINC001593487029 1286175995 /nfs/dbraw/zinc/17/59/95/1286175995.db2.gz IJDMLQVWNRWYTB-UHFFFAOYSA-N -1 1 370.308 0.588 20 5 FCBDMM O=[N+]([O-])c1cnccc1N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001593487035 1286176378 /nfs/dbraw/zinc/17/63/78/1286176378.db2.gz IQWFEFGGIWJLBY-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1cnccc1N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001593487035 1286176380 /nfs/dbraw/zinc/17/63/80/1286176380.db2.gz IQWFEFGGIWJLBY-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1nc(-c2nnn[n-]2)cs1 ZINC001593494443 1286180051 /nfs/dbraw/zinc/18/00/51/1286180051.db2.gz YIWKRGFTRMEHEL-UHFFFAOYSA-N -1 1 356.327 0.990 20 5 FCBDMM O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1nc(-c2nn[n-]n2)cs1 ZINC001593494443 1286180056 /nfs/dbraw/zinc/18/00/56/1286180056.db2.gz YIWKRGFTRMEHEL-UHFFFAOYSA-N -1 1 356.327 0.990 20 5 FCBDMM O=c1cc([C@@H]2CCN(c3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)[nH]c(=O)[nH]1 ZINC001593495523 1286181016 /nfs/dbraw/zinc/18/10/16/1286181016.db2.gz GVJUOLKOJXHDBI-MRVPVSSYSA-N -1 1 370.329 0.970 20 5 FCBDMM O=c1cc([C@@H]2CCN(c3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)[nH]c(=O)[nH]1 ZINC001593495523 1286181020 /nfs/dbraw/zinc/18/10/20/1286181020.db2.gz GVJUOLKOJXHDBI-MRVPVSSYSA-N -1 1 370.329 0.970 20 5 FCBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCN(C(=O)CN(C)C)CC2)n1 ZINC001600104754 1286441705 /nfs/dbraw/zinc/44/17/05/1286441705.db2.gz FLPZOTAUMFWYHW-UHFFFAOYSA-N -1 1 351.363 0.207 20 5 FCBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])n1 ZINC001600971241 1286586025 /nfs/dbraw/zinc/58/60/25/1286586025.db2.gz XMAKVUUYYWDGQL-SNVBAGLBSA-N -1 1 372.334 0.442 20 5 FCBDMM COCCO[C@@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001609326816 1289099615 /nfs/dbraw/zinc/09/96/15/1289099615.db2.gz JPGPLJKLESVXSH-LLVKDONJSA-N -1 1 363.378 0.989 20 5 FCBDMM COCCO[C@@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001609326816 1289099623 /nfs/dbraw/zinc/09/96/23/1289099623.db2.gz JPGPLJKLESVXSH-LLVKDONJSA-N -1 1 363.378 0.989 20 5 FCBDMM CC(=CC(=O)NCCn1cnc(-c2nn[n-]n2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001602899596 1287152021 /nfs/dbraw/zinc/15/20/21/1287152021.db2.gz FNKWYYURBGOMTA-CSKARUKUSA-N -1 1 369.345 0.586 20 5 FCBDMM CC(=O)N1C[C@H]2CN(c3cc(C)c([N+](=O)[O-])c(-c4nnn[n-]4)c3)C[C@H]2C1 ZINC001602932400 1287164284 /nfs/dbraw/zinc/16/42/84/1287164284.db2.gz DIDMQLJHUZPIJZ-TXEJJXNPSA-N -1 1 357.374 0.998 20 5 FCBDMM CC(=O)N1C[C@H]2CN(c3cc(C)c([N+](=O)[O-])c(-c4nn[n-]n4)c3)C[C@H]2C1 ZINC001602932400 1287164290 /nfs/dbraw/zinc/16/42/90/1287164290.db2.gz DIDMQLJHUZPIJZ-TXEJJXNPSA-N -1 1 357.374 0.998 20 5 FCBDMM COC(=O)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001604946305 1287818427 /nfs/dbraw/zinc/81/84/27/1287818427.db2.gz QKSWPECJDZKAML-ZETCQYMHSA-N -1 1 370.347 0.005 20 5 FCBDMM COC(=O)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001604946305 1287818431 /nfs/dbraw/zinc/81/84/31/1287818431.db2.gz QKSWPECJDZKAML-ZETCQYMHSA-N -1 1 370.347 0.005 20 5 FCBDMM CO[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C1 ZINC001605144968 1287895440 /nfs/dbraw/zinc/89/54/40/1287895440.db2.gz QOLTVUFVWZIVGZ-SECBINFHSA-N -1 1 354.348 0.184 20 5 FCBDMM CO[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)C1 ZINC001605144968 1287895447 /nfs/dbraw/zinc/89/54/47/1287895447.db2.gz QOLTVUFVWZIVGZ-SECBINFHSA-N -1 1 354.348 0.184 20 5 FCBDMM COc1ccc([N+](=O)[O-])cc1COC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001605307488 1287923745 /nfs/dbraw/zinc/92/37/45/1287923745.db2.gz CLGQSIBXKIMYGE-QMMMGPOBSA-N -1 1 374.317 0.679 20 5 FCBDMM CN1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C(=O)[O-])C1 ZINC001606236409 1288224222 /nfs/dbraw/zinc/22/42/22/1288224222.db2.gz WKUAQWOOTWQGGU-LBPRGKRZSA-N -1 1 373.369 0.869 20 5 FCBDMM O=C1NCC[C@H]1CCn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001607052932 1288622500 /nfs/dbraw/zinc/62/25/00/1288622500.db2.gz WJZMIOJKJVYXDL-VIFPVBQESA-N -1 1 369.341 0.616 20 5 FCBDMM COc1cc(C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC ZINC001607072499 1288645649 /nfs/dbraw/zinc/64/56/49/1288645649.db2.gz OVKHERFJTAKADW-SNVBAGLBSA-N -1 1 367.358 0.700 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)NC2CCOCC2)c1 ZINC001607080589 1288651654 /nfs/dbraw/zinc/65/16/54/1288651654.db2.gz XMKJLLZWPBQQIZ-UHFFFAOYSA-N -1 1 354.348 0.232 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)NC2CCOCC2)c1 ZINC001607080589 1288651658 /nfs/dbraw/zinc/65/16/58/1288651658.db2.gz XMKJLLZWPBQQIZ-UHFFFAOYSA-N -1 1 354.348 0.232 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CCN(c3cccnn3)CC2)cc1-c1nnn[n-]1 ZINC001607081947 1288652118 /nfs/dbraw/zinc/65/21/18/1288652118.db2.gz HXKHAKOFNRJPFW-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CCN(c3cccnn3)CC2)cc1-c1nn[n-]n1 ZINC001607081947 1288652124 /nfs/dbraw/zinc/65/21/24/1288652124.db2.gz HXKHAKOFNRJPFW-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCC=CO2)c1-c1nn[n-]n1 ZINC001607085125 1288652731 /nfs/dbraw/zinc/65/27/31/1288652731.db2.gz KCKJNJREDAUGLH-VIFPVBQESA-N -1 1 366.359 0.746 20 5 FCBDMM O=[N+]([O-])c1cnn(CN2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1 ZINC001607086360 1288654285 /nfs/dbraw/zinc/65/42/85/1288654285.db2.gz VKPIGQKCGPIBLZ-UHFFFAOYSA-N -1 1 356.350 0.146 20 5 FCBDMM O=[N+]([O-])c1cnn(CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC001607086360 1288654288 /nfs/dbraw/zinc/65/42/88/1288654288.db2.gz VKPIGQKCGPIBLZ-UHFFFAOYSA-N -1 1 356.350 0.146 20 5 FCBDMM CC[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC001609202222 1288984813 /nfs/dbraw/zinc/98/48/13/1288984813.db2.gz CESWGWLWNBXMPC-MEBBXXQBSA-N -1 1 361.362 0.944 20 5 FCBDMM CC[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC001609202222 1288984820 /nfs/dbraw/zinc/98/48/20/1288984820.db2.gz CESWGWLWNBXMPC-MEBBXXQBSA-N -1 1 361.362 0.944 20 5 FCBDMM Nc1cc(NC[C@@H](CO)c2cccnc2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609511104 1289189644 /nfs/dbraw/zinc/18/96/44/1289189644.db2.gz XUNLQZQZWFBTSB-JTQLQIEISA-N -1 1 356.346 0.940 20 5 FCBDMM Nc1cc(NC[C@@H](CO)c2cccnc2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609511104 1289189649 /nfs/dbraw/zinc/18/96/49/1289189649.db2.gz XUNLQZQZWFBTSB-JTQLQIEISA-N -1 1 356.346 0.940 20 5 FCBDMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001609552121 1289218820 /nfs/dbraw/zinc/21/88/20/1289218820.db2.gz YOLWAWVOAGFIEK-UHFFFAOYSA-N -1 1 365.260 0.075 20 5 FCBDMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC001609584059 1289239516 /nfs/dbraw/zinc/23/95/16/1289239516.db2.gz SXOJUTFOVZTLJB-UHFFFAOYSA-N -1 1 352.314 0.763 20 5 FCBDMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC001609584059 1289239520 /nfs/dbraw/zinc/23/95/20/1289239520.db2.gz SXOJUTFOVZTLJB-UHFFFAOYSA-N -1 1 352.314 0.763 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cccnn2)c1-c1nn[n-]n1 ZINC001609602778 1289257806 /nfs/dbraw/zinc/25/78/06/1289257806.db2.gz HYUNYQGCQBOUND-UHFFFAOYSA-N -1 1 362.331 0.043 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CCN(c3cc(-c4nnn[n-]4)ncn3)CC2)cc1 ZINC001609601831 1289258688 /nfs/dbraw/zinc/25/86/88/1289258688.db2.gz CGVRVEXFSURTQJ-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CCN(c3cc(-c4nn[n-]n4)ncn3)CC2)cc1 ZINC001609601831 1289258693 /nfs/dbraw/zinc/25/86/93/1289258693.db2.gz CGVRVEXFSURTQJ-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H](O)COc1cccc(F)c1 ZINC000751167825 836469241 /nfs/dbraw/zinc/46/92/41/836469241.db2.gz AGVSOEDQMIAOOG-NSHDSACASA-N -1 1 371.346 0.847 20 5 FCBDMM Cc1ccc2[nH]c(C[N-]S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])nc2c1 ZINC001309253526 866765918 /nfs/dbraw/zinc/76/59/18/866765918.db2.gz SWKLBARMDBEZPF-UHFFFAOYSA-N -1 1 350.360 0.992 20 5 FCBDMM Cc1ccc2nc(C[N-]S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])[nH]c2c1 ZINC001309253526 866765945 /nfs/dbraw/zinc/76/59/45/866765945.db2.gz SWKLBARMDBEZPF-UHFFFAOYSA-N -1 1 350.360 0.992 20 5 FCBDMM COc1ccc([N+](=O)[O-])c(N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c1 ZINC001330166236 872503152 /nfs/dbraw/zinc/50/31/52/872503152.db2.gz VQDXDABDPHUSDP-INIZCTEOSA-N -1 1 351.359 0.969 20 5 FCBDMM COC(=O)CCN1CC[C@H](OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1=O ZINC001333211212 873855312 /nfs/dbraw/zinc/85/53/12/873855312.db2.gz JKTBXEHKOULGEG-LBPRGKRZSA-N -1 1 352.299 0.621 20 5 FCBDMM O=C1CCCN1[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000823530945 946443815 /nfs/dbraw/zinc/44/38/15/946443815.db2.gz VNWLBPGJWLKOSE-SNVBAGLBSA-N -1 1 358.362 0.761 20 5 FCBDMM O=C1CCCN1[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000823530945 946443820 /nfs/dbraw/zinc/44/38/20/946443820.db2.gz VNWLBPGJWLKOSE-SNVBAGLBSA-N -1 1 358.362 0.761 20 5 FCBDMM CCCc1[nH]nc(C(=O)N2CCO[C@](COC)(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001589688408 950091621 /nfs/dbraw/zinc/09/16/21/950091621.db2.gz KGBKOUKDJLRDTK-CQSZACIVSA-N -1 1 356.335 0.213 20 5 FCBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])n1 ZINC001594548173 955694839 /nfs/dbraw/zinc/69/48/39/955694839.db2.gz IHRJVAXTLSBKSM-JTQLQIEISA-N -1 1 354.344 0.303 20 5 FCBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])cc1F ZINC001605224408 972975198 /nfs/dbraw/zinc/97/51/98/972975198.db2.gz GARIEQVYZZOCJK-UHFFFAOYSA-N -1 1 363.367 0.679 20 5 FCBDMM Cc1ncc([N+](=O)[O-])n1CCN1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001605420054 973435951 /nfs/dbraw/zinc/43/59/51/973435951.db2.gz BVQIRRWIXWJGRZ-GFCCVEGCSA-N -1 1 365.390 0.497 20 5 FCBDMM COC[C@]1(C(=O)[O-])CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001604541276 973518139 /nfs/dbraw/zinc/51/81/39/973518139.db2.gz CEDABTXWBAAOPU-INIZCTEOSA-N -1 1 351.359 0.981 20 5 FCBDMM COC[C@@]1(C(=O)[O-])CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CCO1 ZINC001604556825 973589341 /nfs/dbraw/zinc/58/93/41/973589341.db2.gz BNRZRHQOQLMOLI-CQSZACIVSA-N -1 1 356.335 0.384 20 5 FCBDMM CCO[C@H]1C[C@@](NS(=O)(=O)c2ncccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001596843510 985533915 /nfs/dbraw/zinc/53/39/15/985533915.db2.gz SIINEXKCFXFTDH-IINYFYTJSA-N -1 1 373.387 0.927 20 5 FCBDMM CN(CC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1O ZINC001598386948 991615088 /nfs/dbraw/zinc/61/50/88/991615088.db2.gz KXQCXVXOLFDAPL-CPUCHLNUSA-N -1 1 365.386 0.856 20 5 FCBDMM CC(C)N1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001591633262 992934231 /nfs/dbraw/zinc/93/42/31/992934231.db2.gz AVUADWOTJXXGEE-UHFFFAOYSA-N -1 1 350.375 0.940 20 5 FCBDMM CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)COCC(=O)[O-])c2)CC1 ZINC001598625137 994075995 /nfs/dbraw/zinc/07/59/95/994075995.db2.gz ZFJHXXANKVUWFO-UHFFFAOYSA-N -1 1 352.347 0.386 20 5 FCBDMM C[C@@H]1CCN(CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC001594423408 999580656 /nfs/dbraw/zinc/58/06/56/999580656.db2.gz WGYZAUYLSOQTTR-SNVBAGLBSA-N -1 1 357.388 0.913 20 5 FCBDMM C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCN1CCC(=O)[O-] ZINC001594469074 999698274 /nfs/dbraw/zinc/69/82/74/999698274.db2.gz SMWPIVZJKHMYSJ-GFCCVEGCSA-N -1 1 351.359 0.981 20 5 FCBDMM NS(=O)(=O)c1cccc(N2CCC(c3n[n-]c(=O)o3)CC2)c1[N+](=O)[O-] ZINC000367365316 216114174 /nfs/dbraw/zinc/11/41/74/216114174.db2.gz ZSUOQVWZQJECFQ-UHFFFAOYSA-N -1 1 369.359 0.715 20 5 FCBDMM C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ncnn1C ZINC000276741034 212283604 /nfs/dbraw/zinc/28/36/04/212283604.db2.gz RZPSHPHXZOSYRT-MRVPVSSYSA-N -1 1 369.359 0.534 20 5 FCBDMM O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000376116456 217358519 /nfs/dbraw/zinc/35/85/19/217358519.db2.gz QPUDOQMXMBSXQP-LLVKDONJSA-N -1 1 357.326 0.735 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]CCCOC[C@H]2CCCO2)c([N+](=O)[O-])n1 ZINC000435809258 248019598 /nfs/dbraw/zinc/01/95/98/248019598.db2.gz OZYLHKGVPLVQFT-LLVKDONJSA-N -1 1 362.408 0.675 20 5 FCBDMM CS(=O)(=O)[N-]c1ccc(Oc2ncc([N+](=O)[O-])cc2C(N)=O)cn1 ZINC000439116772 248111317 /nfs/dbraw/zinc/11/13/17/248111317.db2.gz HANXLGXVLSGSBB-UHFFFAOYSA-N -1 1 353.316 0.648 20 5 FCBDMM C[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1nc[nH]n1 ZINC000271169338 211349670 /nfs/dbraw/zinc/34/96/70/211349670.db2.gz SDJRRKDGMDAXGD-ZETCQYMHSA-N -1 1 355.332 0.524 20 5 FCBDMM O=C(c1cc(=O)n2[n-]cnc2n1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470883363 250069424 /nfs/dbraw/zinc/06/94/24/250069424.db2.gz OBNZHSBLJZEBMY-UHFFFAOYSA-N -1 1 356.298 0.229 20 5 FCBDMM O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000323880418 488904678 /nfs/dbraw/zinc/90/46/78/488904678.db2.gz UKLXRSKQFGZJJV-SECBINFHSA-N -1 1 374.762 0.946 20 5 FCBDMM COc1ccc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000326092100 488913174 /nfs/dbraw/zinc/91/31/74/488913174.db2.gz AQXBPROUDVEBGF-UHFFFAOYSA-N -1 1 361.376 0.240 20 5 FCBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000326394459 488914482 /nfs/dbraw/zinc/91/44/82/488914482.db2.gz GPGBRIBVPVSUFY-SNVBAGLBSA-N -1 1 354.344 0.601 20 5 FCBDMM O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000326566312 488915494 /nfs/dbraw/zinc/91/54/94/488915494.db2.gz ULGKTIITVQYFOO-VIFPVBQESA-N -1 1 358.307 0.431 20 5 FCBDMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)o1 ZINC000025268657 487662554 /nfs/dbraw/zinc/66/25/54/487662554.db2.gz ZBLDCEIKSJGFET-UHFFFAOYSA-N -1 1 368.371 0.938 20 5 FCBDMM COCC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000030119820 487738862 /nfs/dbraw/zinc/73/88/62/487738862.db2.gz AUDLMIACFIYODN-UHFFFAOYSA-N -1 1 360.326 0.798 20 5 FCBDMM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)OC ZINC000064245088 488310912 /nfs/dbraw/zinc/31/09/12/488310912.db2.gz 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ZINC000824689538 607641350 /nfs/dbraw/zinc/64/13/50/607641350.db2.gz MHIUXPQODPSOOX-DTWKUNHWSA-N -1 1 370.391 0.460 20 5 FCBDMM CC[C@@H](O)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825154735 607645853 /nfs/dbraw/zinc/64/58/53/607645853.db2.gz SMBRXXZIZRZYRT-SECBINFHSA-N -1 1 370.391 0.604 20 5 FCBDMM O=C([C@H]1CCCO1)N1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000822916821 606644248 /nfs/dbraw/zinc/64/42/48/606644248.db2.gz FELFDVOVWUGZCB-CQSZACIVSA-N -1 1 373.373 0.603 20 5 FCBDMM CC(C)(C)S(=O)(=O)CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000819949921 606710528 /nfs/dbraw/zinc/71/05/28/606710528.db2.gz CJYNVARKCLFQQH-UHFFFAOYSA-N -1 1 355.380 0.795 20 5 FCBDMM CC(C)(C)S(=O)(=O)CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000819949921 606710530 /nfs/dbraw/zinc/71/05/30/606710530.db2.gz CJYNVARKCLFQQH-UHFFFAOYSA-N -1 1 355.380 0.795 20 5 FCBDMM COC(=O)CCSCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821661282 606711234 /nfs/dbraw/zinc/71/12/34/606711234.db2.gz AOEAHONXTVXVCX-UHFFFAOYSA-N -1 1 353.364 0.878 20 5 FCBDMM COC(=O)CCSCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821661282 606711235 /nfs/dbraw/zinc/71/12/35/606711235.db2.gz AOEAHONXTVXVCX-UHFFFAOYSA-N -1 1 353.364 0.878 20 5 FCBDMM Cn1cc(C[C@H]2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)cn1 ZINC000822674043 606715172 /nfs/dbraw/zinc/71/51/72/606715172.db2.gz KBKVSJLGXPHCFW-SNVBAGLBSA-N -1 1 355.362 0.972 20 5 FCBDMM Cn1cc(C[C@H]2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)cn1 ZINC000822674043 606715174 /nfs/dbraw/zinc/71/51/74/606715174.db2.gz KBKVSJLGXPHCFW-SNVBAGLBSA-N -1 1 355.362 0.972 20 5 FCBDMM CC1(C)CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCS1(=O)=O ZINC000820607150 606719483 /nfs/dbraw/zinc/71/94/83/606719483.db2.gz JWQSCUFLRQKXLF-UHFFFAOYSA-N -1 1 353.364 0.183 20 5 FCBDMM CC1(C)CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCS1(=O)=O ZINC000820607150 606719485 /nfs/dbraw/zinc/71/94/85/606719485.db2.gz JWQSCUFLRQKXLF-UHFFFAOYSA-N -1 1 353.364 0.183 20 5 FCBDMM C[C@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820814892 606730649 /nfs/dbraw/zinc/73/06/49/606730649.db2.gz YVSZOIAXSUUEFU-QMMMGPOBSA-N -1 1 354.348 0.184 20 5 FCBDMM C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCCO1 ZINC000820768383 606732600 /nfs/dbraw/zinc/73/26/00/606732600.db2.gz NEBAXFRDAPDHQR-VIFPVBQESA-N -1 1 368.375 0.574 20 5 FCBDMM CO[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000821697978 606736924 /nfs/dbraw/zinc/73/69/24/606736924.db2.gz ZFNLRUMABKESSD-MRVPVSSYSA-N -1 1 354.348 0.184 20 5 FCBDMM C[C@H]1OCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@@H]1C ZINC000820819481 607004646 /nfs/dbraw/zinc/00/46/46/607004646.db2.gz IYZIFVKNGKKOHR-RKDXNWHRSA-N -1 1 368.375 0.573 20 5 FCBDMM CC(C)(C)c1nnc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1N ZINC000819971416 607027117 /nfs/dbraw/zinc/02/71/17/607027117.db2.gz KNKWFPUJSKYVEC-UHFFFAOYSA-N -1 1 362.379 0.924 20 5 FCBDMM CC(C)(C)c1nnc(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1N ZINC000819971416 607027119 /nfs/dbraw/zinc/02/71/19/607027119.db2.gz KNKWFPUJSKYVEC-UHFFFAOYSA-N -1 1 362.379 0.924 20 5 FCBDMM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826464018 608057868 /nfs/dbraw/zinc/05/78/68/608057868.db2.gz FMJXKPCTGTZVIU-UHFFFAOYSA-N -1 1 362.327 0.855 20 5 FCBDMM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826464018 608057869 /nfs/dbraw/zinc/05/78/69/608057869.db2.gz FMJXKPCTGTZVIU-UHFFFAOYSA-N -1 1 362.327 0.855 20 5 FCBDMM COC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCC1 ZINC000826144086 609573292 /nfs/dbraw/zinc/57/32/92/609573292.db2.gz BBOJRUYLUAGTAG-UHFFFAOYSA-N -1 1 368.375 0.622 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CCCCS1(=O)=O ZINC000826497904 609589899 /nfs/dbraw/zinc/58/98/99/609589899.db2.gz YGEROSQQUNSHLF-QMMMGPOBSA-N -1 1 353.364 0.549 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CCCCS1(=O)=O ZINC000826497904 609589901 /nfs/dbraw/zinc/58/99/01/609589901.db2.gz YGEROSQQUNSHLF-QMMMGPOBSA-N -1 1 353.364 0.549 20 5 FCBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(N)=O ZINC000757745874 666626929 /nfs/dbraw/zinc/62/69/29/666626929.db2.gz SUIYYMVOJPNKPS-SCSAIBSYSA-N -1 1 370.156 0.649 20 5 FCBDMM O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731879972 666843931 /nfs/dbraw/zinc/84/39/31/666843931.db2.gz CUDHBWYFAYEWON-LLVKDONJSA-N -1 1 350.360 0.800 20 5 FCBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000920008839 667218311 /nfs/dbraw/zinc/21/83/11/667218311.db2.gz HQALVVKJHMYSMZ-JQWIXIFHSA-N -1 1 360.411 0.647 20 5 FCBDMM O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC(O)(c2nn[n-]n2)CC1 ZINC000753080515 667538577 /nfs/dbraw/zinc/53/85/77/667538577.db2.gz BKWHSHSZPCLXIV-UHFFFAOYSA-N -1 1 352.738 0.885 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000754805540 667611466 /nfs/dbraw/zinc/61/14/66/667611466.db2.gz MSAAUGZEOJJXBQ-LLVKDONJSA-N -1 1 358.351 0.962 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](O)c2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000754805542 667611508 /nfs/dbraw/zinc/61/15/08/667611508.db2.gz MSAAUGZEOJJXBQ-NSHDSACASA-N -1 1 358.351 0.962 20 5 FCBDMM COc1ccc(S(=O)(=O)[N-]C(=O)CCc2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000755909468 667652531 /nfs/dbraw/zinc/65/25/31/667652531.db2.gz NUNDKJZGDOWYFX-UHFFFAOYSA-N -1 1 355.332 0.159 20 5 FCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(O)CCC2(CC1)OCCO2 ZINC000760604870 667856187 /nfs/dbraw/zinc/85/61/87/667856187.db2.gz RKLKODGYIPWVCP-UHFFFAOYSA-N -1 1 373.387 0.316 20 5 FCBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1nnnn1CC1CC1 ZINC000770274927 668184285 /nfs/dbraw/zinc/18/42/85/668184285.db2.gz IDPYEDYEKUOWOP-UHFFFAOYSA-N -1 1 356.339 0.609 20 5 FCBDMM CCOC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1 ZINC000770278928 668184504 /nfs/dbraw/zinc/18/45/04/668184504.db2.gz BXDKTRCZQZGUEW-SECBINFHSA-N -1 1 361.380 0.320 20 5 FCBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)NCC(=O)N1CCCC1 ZINC000780071487 668454338 /nfs/dbraw/zinc/45/43/38/668454338.db2.gz IBXCNZHNSTYVSE-UHFFFAOYSA-N -1 1 351.315 0.196 20 5 FCBDMM NC(=O)C1=NO[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000795175146 669018531 /nfs/dbraw/zinc/01/85/31/669018531.db2.gz NSXRZDQIWPUIBB-LURJTMIESA-N -1 1 362.751 0.157 20 5 FCBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCN1CCOCC1 ZINC000814975629 669894774 /nfs/dbraw/zinc/89/47/74/669894774.db2.gz NRSZZQKRQAIGNA-UHFFFAOYSA-N -1 1 367.786 0.998 20 5 FCBDMM O=C(NCCS(=O)(=O)[N-]C(=O)[C@@H]1CC1[N+](=O)[O-])OCc1ccccc1 ZINC000842364532 670678939 /nfs/dbraw/zinc/67/89/39/670678939.db2.gz KYSDXTFIAWZIJH-VXGBXAGGSA-N -1 1 371.371 0.024 20 5 FCBDMM CC(C)(C(=O)[O-])N1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000844217925 670910191 /nfs/dbraw/zinc/91/01/91/670910191.db2.gz HDOVLKRCEGPTOL-UHFFFAOYSA-N -1 1 372.403 0.227 20 5 FCBDMM COC(=O)C[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000859344118 671818025 /nfs/dbraw/zinc/81/80/25/671818025.db2.gz QBZOXXGSUQNBGQ-MRVPVSSYSA-N -1 1 352.752 0.451 20 5 FCBDMM COc1ccc([C@@]2(C)NC(=O)N([N-]C(=O)c3[nH]ncc3[N+](=O)[O-])C2=O)cc1 ZINC000819802503 1203171678 /nfs/dbraw/zinc/17/16/78/1203171678.db2.gz KETDCFUHDGYRMK-OAHLLOKOSA-N -1 1 374.313 0.439 20 5 FCBDMM CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000821005432 1203197879 /nfs/dbraw/zinc/19/78/79/1203197879.db2.gz CPNUCRHFTLUBOV-SNVBAGLBSA-N -1 1 370.362 0.653 20 5 FCBDMM O=C(NCc1ccc2c(c1)CN(Cc1n[nH]c(=O)[n-]1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC001054264486 1218902346 /nfs/dbraw/zinc/90/23/46/1218902346.db2.gz GNXKKLPAONGBEO-CHWSQXEVSA-N -1 1 358.358 0.308 20 5 FCBDMM Cc1cc(Nc2c(O)[nH]c(=O)[n-]c2=S)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001160857507 1223178358 /nfs/dbraw/zinc/17/83/58/1223178358.db2.gz GIWSVOVECIDPRH-LLVKDONJSA-N -1 1 372.366 0.729 20 5 FCBDMM C[C@@H]1CC(=O)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001575940219 1272571310 /nfs/dbraw/zinc/57/13/10/1272571310.db2.gz XLNGFSRVLPKJSE-MRVPVSSYSA-N -1 1 366.359 0.517 20 5 FCBDMM CC[C@H](C[C@@H](C)O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001576705444 1273574667 /nfs/dbraw/zinc/57/46/67/1273574667.db2.gz LJYUFVJBYVNMJC-RKDXNWHRSA-N -1 1 370.391 0.603 20 5 FCBDMM CC[C@H](C[C@@H](C)O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001576705444 1273574672 /nfs/dbraw/zinc/57/46/72/1273574672.db2.gz LJYUFVJBYVNMJC-RKDXNWHRSA-N -1 1 370.391 0.603 20 5 FCBDMM CNC(=O)CN1CCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001579396960 1277279902 /nfs/dbraw/zinc/27/99/02/1277279902.db2.gz ZVJCGZGZZHUQCI-UHFFFAOYSA-N -1 1 366.407 0.095 20 5 FCBDMM CNC(=O)CN1CCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001579396960 1277279908 /nfs/dbraw/zinc/27/99/08/1277279908.db2.gz ZVJCGZGZZHUQCI-UHFFFAOYSA-N -1 1 366.407 0.095 20 5 FCBDMM CC(C)C1(O)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC001603241792 1287338326 /nfs/dbraw/zinc/33/83/26/1287338326.db2.gz YWDXZYBVLXQUFR-UHFFFAOYSA-N -1 1 368.375 0.166 20 5 FCBDMM Cc1nc(-c2nnn[n-]2)cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 ZINC001581411123 1279878410 /nfs/dbraw/zinc/87/84/10/1279878410.db2.gz LKMHIDQNTHCPMI-UHFFFAOYSA-N -1 1 368.361 0.595 20 5 FCBDMM Cc1nc(-c2nn[n-]n2)cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 ZINC001581411123 1279878418 /nfs/dbraw/zinc/87/84/18/1279878418.db2.gz LKMHIDQNTHCPMI-UHFFFAOYSA-N -1 1 368.361 0.595 20 5 FCBDMM CCOCCOC[C@@H](O)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609241107 1289015428 /nfs/dbraw/zinc/01/54/28/1289015428.db2.gz ZJWVSLVFLKGQSQ-JTQLQIEISA-N -1 1 352.351 0.601 20 5 FCBDMM CCOCCOC[C@@H](O)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609241107 1289015432 /nfs/dbraw/zinc/01/54/32/1289015432.db2.gz ZJWVSLVFLKGQSQ-JTQLQIEISA-N -1 1 352.351 0.601 20 5 FCBDMM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001581776671 1280493945 /nfs/dbraw/zinc/49/39/45/1280493945.db2.gz QJFCWNRRHBVAFE-UHFFFAOYSA-N -1 1 370.329 0.833 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)NCc2ccncc2)c1 ZINC001582803409 1282028060 /nfs/dbraw/zinc/02/80/60/1282028060.db2.gz GIFRUBINJZHCQF-UHFFFAOYSA-N -1 1 361.343 0.648 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)NCc2ccncc2)c1 ZINC001582803409 1282028067 /nfs/dbraw/zinc/02/80/67/1282028067.db2.gz GIFRUBINJZHCQF-UHFFFAOYSA-N -1 1 361.343 0.648 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)c1 ZINC001582803659 1282029775 /nfs/dbraw/zinc/02/97/75/1282029775.db2.gz PLBGEAZYFUEIPS-QWRGUYRKSA-N -1 1 368.375 0.357 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)c1 ZINC001582803659 1282029779 /nfs/dbraw/zinc/02/97/79/1282029779.db2.gz PLBGEAZYFUEIPS-QWRGUYRKSA-N -1 1 368.375 0.357 20 5 FCBDMM C[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588996301 1282761235 /nfs/dbraw/zinc/76/12/35/1282761235.db2.gz PVCWHNZTALANRH-VIFPVBQESA-N -1 1 357.334 0.286 20 5 FCBDMM CC(C)C[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001589660537 1282933736 /nfs/dbraw/zinc/93/37/36/1282933736.db2.gz WTIKOZZHSRKQSW-SECBINFHSA-N -1 1 370.391 0.460 20 5 FCBDMM CC(C)C[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001589660537 1282933743 /nfs/dbraw/zinc/93/37/43/1282933743.db2.gz WTIKOZZHSRKQSW-SECBINFHSA-N -1 1 370.391 0.460 20 5 FCBDMM CC1(C)C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CO1 ZINC001590083790 1283207532 /nfs/dbraw/zinc/20/75/32/1283207532.db2.gz KJLXJSKZWSBABX-MRVPVSSYSA-N -1 1 368.375 0.621 20 5 FCBDMM CC1(C)C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CO1 ZINC001590083790 1283207534 /nfs/dbraw/zinc/20/75/34/1283207534.db2.gz KJLXJSKZWSBABX-MRVPVSSYSA-N -1 1 368.375 0.621 20 5 FCBDMM C[C@@]1([C@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)COC(=O)N1 ZINC001590120438 1283227347 /nfs/dbraw/zinc/22/73/47/1283227347.db2.gz OFBQCVQUQDXZOA-VFZGTOFNSA-N -1 1 374.361 0.885 20 5 FCBDMM C[C@@]1([C@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)COC(=O)N1 ZINC001590120438 1283227357 /nfs/dbraw/zinc/22/73/57/1283227357.db2.gz OFBQCVQUQDXZOA-VFZGTOFNSA-N -1 1 374.361 0.885 20 5 FCBDMM C[C@]12CN(c3cc(-c4nnn[n-]4)sc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC001590155359 1283251465 /nfs/dbraw/zinc/25/14/65/1283251465.db2.gz IHMUQHGXEDUPPD-BETUJISGSA-N -1 1 363.359 0.325 20 5 FCBDMM C[C@]12CN(c3cc(-c4nn[n-]n4)sc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC001590155359 1283251472 /nfs/dbraw/zinc/25/14/72/1283251472.db2.gz IHMUQHGXEDUPPD-BETUJISGSA-N -1 1 363.359 0.325 20 5 FCBDMM C[C@H]1[C@@H](CO)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590171703 1283268900 /nfs/dbraw/zinc/26/89/00/1283268900.db2.gz WYTIKMCQOACSBH-DTWKUNHWSA-N -1 1 368.375 0.166 20 5 FCBDMM C[C@H]1[C@@H](CO)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590171703 1283268905 /nfs/dbraw/zinc/26/89/05/1283268905.db2.gz WYTIKMCQOACSBH-DTWKUNHWSA-N -1 1 368.375 0.166 20 5 FCBDMM C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@@H](C)O1 ZINC001590206004 1283324664 /nfs/dbraw/zinc/32/46/64/1283324664.db2.gz GNWLDQCQDRPARB-IWSPIJDZSA-N -1 1 368.375 0.619 20 5 FCBDMM CCOC(=O)[C@H](F)C1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590753543 1283810712 /nfs/dbraw/zinc/81/07/12/1283810712.db2.gz MRONLQQEBMWAIF-SECBINFHSA-N -1 1 351.298 0.507 20 5 FCBDMM CCOC(=O)[C@H](F)C1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590753543 1283810721 /nfs/dbraw/zinc/81/07/21/1283810721.db2.gz MRONLQQEBMWAIF-SECBINFHSA-N -1 1 351.298 0.507 20 5 FCBDMM CCOC(=O)C1(O)CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001590756448 1283814339 /nfs/dbraw/zinc/81/43/39/1283814339.db2.gz SGBFWEUOQISVNI-UHFFFAOYSA-N -1 1 362.346 0.669 20 5 FCBDMM CCOC(=O)C1(O)CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001590756448 1283814349 /nfs/dbraw/zinc/81/43/49/1283814349.db2.gz SGBFWEUOQISVNI-UHFFFAOYSA-N -1 1 362.346 0.669 20 5 FCBDMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(F)cc2[N+](=O)[O-])c1=O ZINC001590949389 1283997390 /nfs/dbraw/zinc/99/73/90/1283997390.db2.gz GABVUFCNSTXOGM-UHFFFAOYSA-N -1 1 361.293 0.306 20 5 FCBDMM CNS(=O)(=O)C[C@H]1CCCN1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591219431 1284360206 /nfs/dbraw/zinc/36/02/06/1284360206.db2.gz MQLCAOGSWJHGRB-SSDOTTSWSA-N -1 1 373.420 0.354 20 5 FCBDMM CNS(=O)(=O)C[C@H]1CCCN1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591219431 1284360211 /nfs/dbraw/zinc/36/02/11/1284360211.db2.gz MQLCAOGSWJHGRB-SSDOTTSWSA-N -1 1 373.420 0.354 20 5 FCBDMM CO[C@@H]1CC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591356193 1284490675 /nfs/dbraw/zinc/49/06/75/1284490675.db2.gz XNPXFSKLXWGTBT-GHMZBOCLSA-N -1 1 368.375 0.573 20 5 FCBDMM CO[C@@H]1CC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591356193 1284490679 /nfs/dbraw/zinc/49/06/79/1284490679.db2.gz XNPXFSKLXWGTBT-GHMZBOCLSA-N -1 1 368.375 0.573 20 5 FCBDMM COCC[C@@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001591398120 1284538322 /nfs/dbraw/zinc/53/83/22/1284538322.db2.gz AGCACSPWAOUPMF-SECBINFHSA-N -1 1 370.391 0.726 20 5 FCBDMM COCCCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591410769 1284556027 /nfs/dbraw/zinc/55/60/27/1284556027.db2.gz IYFBWDLVGANKLQ-UHFFFAOYSA-N -1 1 370.391 0.822 20 5 FCBDMM COCCCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591410769 1284556033 /nfs/dbraw/zinc/55/60/33/1284556033.db2.gz IYFBWDLVGANKLQ-UHFFFAOYSA-N -1 1 370.391 0.822 20 5 FCBDMM Cc1cc(N(C)C[C@@H]2CCS(=O)(=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591996142 1285048332 /nfs/dbraw/zinc/04/83/32/1285048332.db2.gz YCPJSCZGAODWBG-JTQLQIEISA-N -1 1 366.403 0.954 20 5 FCBDMM Cc1cc(N(C)C[C@@H]2CCS(=O)(=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591996142 1285048335 /nfs/dbraw/zinc/04/83/35/1285048335.db2.gz YCPJSCZGAODWBG-JTQLQIEISA-N -1 1 366.403 0.954 20 5 FCBDMM Cc1cccc2c(=O)[nH]c(Cn3cc([N+](=O)[O-])c(-c4nn[n-]n4)n3)nc12 ZINC001592240693 1285196200 /nfs/dbraw/zinc/19/62/00/1285196200.db2.gz BSOICSNWWLOMPK-UHFFFAOYSA-N -1 1 353.302 0.977 20 5 FCBDMM Cc1cnc(COC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c(C)c1[N+](=O)[O-] ZINC001592293835 1285219026 /nfs/dbraw/zinc/21/90/26/1285219026.db2.gz MIGPQNGNWMMQPX-VIFPVBQESA-N -1 1 373.333 0.683 20 5 FCBDMM Cc1nc(N2CCN(c3cc(-c4nnn[n-]4)sc3[N+](=O)[O-])CC2)n[nH]1 ZINC001592328057 1285237874 /nfs/dbraw/zinc/23/78/74/1285237874.db2.gz PNYGJBFLRNNZHV-UHFFFAOYSA-N -1 1 362.379 0.590 20 5 FCBDMM Cc1nc(N2CCN(c3cc(-c4nn[n-]n4)sc3[N+](=O)[O-])CC2)n[nH]1 ZINC001592328057 1285237885 /nfs/dbraw/zinc/23/78/85/1285237885.db2.gz PNYGJBFLRNNZHV-UHFFFAOYSA-N -1 1 362.379 0.590 20 5 FCBDMM Nc1cc(N[C@@H]2CCCS(=O)(=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760030 1285681826 /nfs/dbraw/zinc/68/18/26/1285681826.db2.gz PFPJTQZTKOFWSP-SSDOTTSWSA-N -1 1 353.364 0.346 20 5 FCBDMM Nc1cc(N[C@@H]2CCCS(=O)(=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760030 1285681831 /nfs/dbraw/zinc/68/18/31/1285681831.db2.gz PFPJTQZTKOFWSP-SSDOTTSWSA-N -1 1 353.364 0.346 20 5 FCBDMM Nc1cc(N2CC[C@H](CN3CCOC3=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759476 1285681925 /nfs/dbraw/zinc/68/19/25/1285681925.db2.gz CDQFUOZYKHVJJG-VIFPVBQESA-N -1 1 374.361 0.636 20 5 FCBDMM Nc1cc(N2CC[C@H](CN3CCOC3=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759476 1285681935 /nfs/dbraw/zinc/68/19/35/1285681935.db2.gz CDQFUOZYKHVJJG-VIFPVBQESA-N -1 1 374.361 0.636 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)Nc1cc(F)ccc1F ZINC001592937438 1285826419 /nfs/dbraw/zinc/82/64/19/1285826419.db2.gz AXSVFOFSHRHDIA-UHFFFAOYSA-N -1 1 350.245 0.888 20 5 FCBDMM O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592937842 1285827282 /nfs/dbraw/zinc/82/72/82/1285827282.db2.gz QMZFBHTUHUKSGP-UHFFFAOYSA-N -1 1 361.343 0.315 20 5 FCBDMM O=C1NC(=O)[C@@]2(CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)N1 ZINC001593401168 1286120856 /nfs/dbraw/zinc/12/08/56/1286120856.db2.gz HPQLJJKJLPVEMJ-GLEZIHRCSA-N -1 1 372.345 0.565 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC[S@](=O)CC(F)(F)F ZINC001593465454 1286170349 /nfs/dbraw/zinc/17/03/49/1286170349.db2.gz PURPQQYKUXFGIN-DEOSSOPVSA-N -1 1 365.297 0.893 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC[S@](=O)CC(F)(F)F ZINC001593465454 1286170354 /nfs/dbraw/zinc/17/03/54/1286170354.db2.gz PURPQQYKUXFGIN-DEOSSOPVSA-N -1 1 365.297 0.893 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOCC23CC3)c1-c1nn[n-]n1 ZINC001593484268 1286174274 /nfs/dbraw/zinc/17/42/74/1286174274.db2.gz SDSCFEIFSVZKED-UHFFFAOYSA-N -1 1 366.359 0.328 20 5 FCBDMM COCC(C)(C)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001609316426 1289086860 /nfs/dbraw/zinc/08/68/60/1289086860.db2.gz YZVGHDMQUHGHGZ-UHFFFAOYSA-N -1 1 370.391 0.820 20 5 FCBDMM O=C([O-])[C@@H](NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001601667506 1286804680 /nfs/dbraw/zinc/80/46/80/1286804680.db2.gz AJCFEDOIFQJNPX-INIZCTEOSA-N -1 1 362.386 0.696 20 5 FCBDMM O=C([O-])[C@@]1([NH+]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)CCOC1 ZINC001602624299 1287036849 /nfs/dbraw/zinc/03/68/49/1287036849.db2.gz XYWJCLMSODUPLC-MRXNPFEDSA-N -1 1 365.342 0.302 20 5 FCBDMM O=C([O-])[C@@]1(N2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)CCOC1 ZINC001602622756 1287037789 /nfs/dbraw/zinc/03/77/89/1287037789.db2.gz LEFGYDKDAWCPSS-MRXNPFEDSA-N -1 1 365.342 0.302 20 5 FCBDMM CS(=O)(=O)CCCCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609366918 1289121686 /nfs/dbraw/zinc/12/16/86/1289121686.db2.gz WNLRFXOEZBSLLI-UHFFFAOYSA-N -1 1 355.380 0.594 20 5 FCBDMM CS(=O)(=O)CCCCNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609366918 1289121690 /nfs/dbraw/zinc/12/16/90/1289121690.db2.gz WNLRFXOEZBSLLI-UHFFFAOYSA-N -1 1 355.380 0.594 20 5 FCBDMM CNS(=O)(=O)[C@@H]1CCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001604895136 1287810126 /nfs/dbraw/zinc/81/01/26/1287810126.db2.gz YGBABCJFIMJKNT-SSDOTTSWSA-N -1 1 373.420 0.354 20 5 FCBDMM CNS(=O)(=O)[C@@H]1CCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001604895136 1287810128 /nfs/dbraw/zinc/81/01/28/1287810128.db2.gz YGBABCJFIMJKNT-SSDOTTSWSA-N -1 1 373.420 0.354 20 5 FCBDMM Cc1cc(N2CCN(c3nccnn3)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605699403 1288052627 /nfs/dbraw/zinc/05/26/27/1288052627.db2.gz FTTFZDOGNFMABX-UHFFFAOYSA-N -1 1 368.361 0.595 20 5 FCBDMM Cc1cc(N2CCN(c3nccnn3)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605699403 1288052636 /nfs/dbraw/zinc/05/26/36/1288052636.db2.gz FTTFZDOGNFMABX-UHFFFAOYSA-N -1 1 368.361 0.595 20 5 FCBDMM Cc1ccn(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c(=O)c1-c1nn[n-]n1 ZINC001605952810 1288111448 /nfs/dbraw/zinc/11/14/48/1288111448.db2.gz JJSWXFMKJKZWOS-UHFFFAOYSA-N -1 1 355.314 0.392 20 5 FCBDMM CN1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C[C@H](C(=O)[O-])C1 ZINC001606235855 1288225184 /nfs/dbraw/zinc/22/51/84/1288225184.db2.gz OVJIXMPYIWRZAG-LLVKDONJSA-N -1 1 374.357 0.264 20 5 FCBDMM CN1CCN(CCN(CC(=O)[O-])C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001606241895 1288229671 /nfs/dbraw/zinc/22/96/71/1288229671.db2.gz WHTAXNALRSEFJF-UHFFFAOYSA-N -1 1 350.375 0.369 20 5 FCBDMM O=C(N[C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001606695285 1288450544 /nfs/dbraw/zinc/45/05/44/1288450544.db2.gz ZFHBXEMMKWLWCO-GFCCVEGCSA-N -1 1 367.325 0.773 20 5 FCBDMM O=C1[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCCN1CCO ZINC001607037533 1288606193 /nfs/dbraw/zinc/60/61/93/1288606193.db2.gz WVDOEINROPFUBS-SSDOTTSWSA-N -1 1 353.364 0.232 20 5 FCBDMM O=C1[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCCN1CCO ZINC001607037533 1288606201 /nfs/dbraw/zinc/60/62/01/1288606201.db2.gz WVDOEINROPFUBS-SSDOTTSWSA-N -1 1 353.364 0.232 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC[C@H](n2cc(CO)nn2)C1 ZINC001607077045 1288649902 /nfs/dbraw/zinc/64/99/02/1288649902.db2.gz JAUKCGIHGODNBK-NSHDSACASA-N -1 1 371.361 0.700 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC[C@H](n2cc(CO)nn2)C1 ZINC001607077045 1288649904 /nfs/dbraw/zinc/64/99/04/1288649904.db2.gz JAUKCGIHGODNBK-NSHDSACASA-N -1 1 371.361 0.700 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001607084864 1288651597 /nfs/dbraw/zinc/65/15/97/1288651597.db2.gz CMICQFZZBKMIHN-UHFFFAOYSA-N -1 1 367.372 0.710 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001607084864 1288651601 /nfs/dbraw/zinc/65/16/01/1288651601.db2.gz CMICQFZZBKMIHN-UHFFFAOYSA-N -1 1 367.372 0.710 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CC3(C2)CCCO3)c1-c1nn[n-]n1 ZINC001607084614 1288652047 /nfs/dbraw/zinc/65/20/47/1288652047.db2.gz PRQSGBBOJIKBMM-UHFFFAOYSA-N -1 1 366.359 0.328 20 5 FCBDMM O=c1[nH]ccc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1[N+](=O)[O-] ZINC001607088639 1288655078 /nfs/dbraw/zinc/65/50/78/1288655078.db2.gz QKSDYUMMODHRRG-UHFFFAOYSA-N -1 1 369.345 0.597 20 5 FCBDMM C[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC001609176503 1288970185 /nfs/dbraw/zinc/97/01/85/1288970185.db2.gz XWYJQAKQSMBOAS-YUMQZZPRSA-N -1 1 353.364 0.182 20 5 FCBDMM C[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC001609176503 1288970186 /nfs/dbraw/zinc/97/01/86/1288970186.db2.gz XWYJQAKQSMBOAS-YUMQZZPRSA-N -1 1 353.364 0.182 20 5 FCBDMM C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC001609176502 1288970540 /nfs/dbraw/zinc/97/05/40/1288970540.db2.gz XWYJQAKQSMBOAS-OCAPTIKFSA-N -1 1 353.364 0.182 20 5 FCBDMM C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC001609176502 1288970544 /nfs/dbraw/zinc/97/05/44/1288970544.db2.gz XWYJQAKQSMBOAS-OCAPTIKFSA-N -1 1 353.364 0.182 20 5 FCBDMM CC[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC001609202221 1288985589 /nfs/dbraw/zinc/98/55/89/1288985589.db2.gz CESWGWLWNBXMPC-BONVTDFDSA-N -1 1 361.362 0.944 20 5 FCBDMM CC[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC001609202221 1288985591 /nfs/dbraw/zinc/98/55/91/1288985591.db2.gz CESWGWLWNBXMPC-BONVTDFDSA-N -1 1 361.362 0.944 20 5 FCBDMM Nc1cc(N2CC[C@H](C(=O)N3CCCC3)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609510932 1289190307 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492278278 /nfs/dbraw/zinc/27/82/78/492278278.db2.gz IMIJJAIZMOLBSV-UHFFFAOYSA-N -1 1 370.387 0.661 20 5 FCBDMM O=C(NCc1nn[n-]n1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000611223241 492282061 /nfs/dbraw/zinc/28/20/61/492282061.db2.gz QGVNTNZOGORHMS-UHFFFAOYSA-N -1 1 374.098 0.643 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]CCN2C[C@@H](C)OC[C@@H]2C)c([N+](=O)[O-])n1 ZINC000594816718 547013677 /nfs/dbraw/zinc/01/36/77/547013677.db2.gz JTJNAFGQAGIONO-WDEREUQCSA-N -1 1 361.424 0.199 20 5 FCBDMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1cccc([N+](=O)[O-])c1 ZINC000737907470 599002167 /nfs/dbraw/zinc/00/21/67/599002167.db2.gz DHBBVWNEPVWOIG-UHFFFAOYSA-N -1 1 369.297 0.965 20 5 FCBDMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1cccc([N+](=O)[O-])c1 ZINC000737907470 599002169 /nfs/dbraw/zinc/00/21/69/599002169.db2.gz DHBBVWNEPVWOIG-UHFFFAOYSA-N -1 1 369.297 0.965 20 5 FCBDMM NC(=O)c1ccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)c([N+](=O)[O-])c1 ZINC000737760006 599139869 /nfs/dbraw/zinc/13/98/69/599139869.db2.gz MVNWVJWWRGGRPW-UHFFFAOYSA-N -1 1 369.297 0.626 20 5 FCBDMM NC(=O)c1ccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)c([N+](=O)[O-])c1 ZINC000737760006 599139870 /nfs/dbraw/zinc/13/98/70/599139870.db2.gz MVNWVJWWRGGRPW-UHFFFAOYSA-N -1 1 369.297 0.626 20 5 FCBDMM Cn1c(=O)c(-c2nn[n-]n2)c(Oc2cc(F)cc([N+](=O)[O-])c2)n(C)c1=O ZINC000822600399 607332112 /nfs/dbraw/zinc/33/21/12/607332112.db2.gz NEUUJYSNZAETSU-UHFFFAOYSA-N -1 1 363.265 0.104 20 5 FCBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(CCN(C)C)CC(=O)[O-] ZINC000820980606 598201985 /nfs/dbraw/zinc/20/19/85/598201985.db2.gz UBKRKMQOARPYTN-UHFFFAOYSA-N -1 1 363.367 0.679 20 5 FCBDMM O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1-n1cnc(-c2nn[n-]n2)n1 ZINC000738361174 598638335 /nfs/dbraw/zinc/63/83/35/598638335.db2.gz VWYDMNXGOULLFD-UHFFFAOYSA-N -1 1 372.273 0.352 20 5 FCBDMM C[C@H]1CN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828451109 601814009 /nfs/dbraw/zinc/81/40/09/601814009.db2.gz SHIZYYFAIQMISG-GWCFXTLKSA-N -1 1 362.342 0.973 20 5 FCBDMM CC(C)OCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824315515 607574641 /nfs/dbraw/zinc/57/46/41/607574641.db2.gz QEZKWPAOFRMYOT-UHFFFAOYSA-N -1 1 370.391 0.868 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCC[C@@H](O)C2)c1-c1nn[n-]n1 ZINC000826500213 607591642 /nfs/dbraw/zinc/59/16/42/607591642.db2.gz ONFQAFUFFVNRPZ-DTWKUNHWSA-N -1 1 368.375 0.357 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H](O)C2)c1-c1nn[n-]n1 ZINC000826500215 607591726 /nfs/dbraw/zinc/59/17/26/607591726.db2.gz ONFQAFUFFVNRPZ-RKDXNWHRSA-N -1 1 368.375 0.357 20 5 FCBDMM CC(C)(C)OCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824119083 607601810 /nfs/dbraw/zinc/60/18/10/607601810.db2.gz BEEMDJJINPWVNM-UHFFFAOYSA-N -1 1 370.391 0.868 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCCS2)c1-c1nn[n-]n1 ZINC000826500350 607669937 /nfs/dbraw/zinc/66/99/37/607669937.db2.gz VJVZCCBVFCMURK-QMMMGPOBSA-N -1 1 370.416 0.949 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@H]3CCC[C@@H]32)c1-c1nn[n-]n1 ZINC000826499978 607674627 /nfs/dbraw/zinc/67/46/27/607674627.db2.gz HDTMQNRBBZGCKD-BDAKNGLRSA-N -1 1 350.360 0.948 20 5 FCBDMM C[C@H](O)CCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824700012 607741966 /nfs/dbraw/zinc/74/19/66/607741966.db2.gz WSPUWCBSQMKDKZ-QMMMGPOBSA-N -1 1 356.364 0.166 20 5 FCBDMM O=C(NCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccnc1 ZINC000823206404 606698700 /nfs/dbraw/zinc/69/87/00/606698700.db2.gz RNVLBUPDIXRKLJ-UHFFFAOYSA-N -1 1 355.318 0.407 20 5 FCBDMM O=C(NCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cccnc1 ZINC000823206404 606698702 /nfs/dbraw/zinc/69/87/02/606698702.db2.gz RNVLBUPDIXRKLJ-UHFFFAOYSA-N -1 1 355.318 0.407 20 5 FCBDMM NC(=O)COc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822869458 606714002 /nfs/dbraw/zinc/71/40/02/606714002.db2.gz WBBYOWMOLNGIOD-UHFFFAOYSA-N -1 1 370.329 0.646 20 5 FCBDMM NC(=O)COc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000822869458 606714003 /nfs/dbraw/zinc/71/40/03/606714003.db2.gz WBBYOWMOLNGIOD-UHFFFAOYSA-N -1 1 370.329 0.646 20 5 FCBDMM C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@@H](C)CO1 ZINC000820769035 606730697 /nfs/dbraw/zinc/73/06/97/606730697.db2.gz QTJXCDUMQCSPTN-DTWKUNHWSA-N -1 1 368.375 0.573 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCOCC2)c1-c1nn[n-]n1 ZINC000823646942 606733453 /nfs/dbraw/zinc/73/34/53/606733453.db2.gz DOTWDJRZOLUERM-UHFFFAOYSA-N -1 1 354.348 0.186 20 5 FCBDMM C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCS1 ZINC000820767545 606734444 /nfs/dbraw/zinc/73/44/44/606734444.db2.gz IQUXYCSGTIEFII-MRVPVSSYSA-N -1 1 370.416 0.901 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1nnc2ccccn21 ZINC000823624908 607165611 /nfs/dbraw/zinc/16/56/11/607165611.db2.gz KDQVHGJLJFSAIQ-UHFFFAOYSA-N -1 1 352.318 0.867 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1nnc2ccccn21 ZINC000823624908 607165613 /nfs/dbraw/zinc/16/56/13/607165613.db2.gz KDQVHGJLJFSAIQ-UHFFFAOYSA-N -1 1 352.318 0.867 20 5 FCBDMM CC[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc([N+](=O)[O-])c1 ZINC000820913674 607221520 /nfs/dbraw/zinc/22/15/20/607221520.db2.gz IXRGITMNQLJGQK-LLVKDONJSA-N -1 1 357.334 0.634 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H](CO)CC2CC2)c1-c1nn[n-]n1 ZINC000826500415 607853321 /nfs/dbraw/zinc/85/33/21/607853321.db2.gz XSVXLRDNNSUSIW-VIFPVBQESA-N -1 1 368.375 0.214 20 5 FCBDMM CN(C)C(=O)[C@H]1CC[C@@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])O1 ZINC000825839599 608412173 /nfs/dbraw/zinc/41/21/73/608412173.db2.gz KILNNWLWCZSEMP-WCBMZHEXSA-N -1 1 362.350 0.218 20 5 FCBDMM CN(C)C(=O)[C@H]1CC[C@@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])O1 ZINC000825839599 608412175 /nfs/dbraw/zinc/41/21/75/608412175.db2.gz KILNNWLWCZSEMP-WCBMZHEXSA-N -1 1 362.350 0.218 20 5 FCBDMM C[C@@H]1OCC[C@@]1(C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825014327 609612017 /nfs/dbraw/zinc/61/20/17/609612017.db2.gz VQYVQVRGRDCWEB-ISVAXAHUSA-N -1 1 368.375 0.621 20 5 FCBDMM O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])C1([N-]C(=O)C(F)(F)F)CCCC1 ZINC000840674641 664959843 /nfs/dbraw/zinc/95/98/43/664959843.db2.gz OCOKIYANGZYRJW-HTQZYQBOSA-N -1 1 352.265 0.755 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](O)c2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000754806123 667611518 /nfs/dbraw/zinc/61/15/18/667611518.db2.gz QOEXIVJKKHELOB-NSHDSACASA-N -1 1 358.351 0.962 20 5 FCBDMM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]N=c1[nH]cccc1[N+](=O)[O-] ZINC000759167018 667796193 /nfs/dbraw/zinc/79/61/93/667796193.db2.gz BNEWBPNUMUCQME-UHFFFAOYSA-N -1 1 370.347 0.503 20 5 FCBDMM COC(=O)c1nscc1S(=O)(=O)[N-]N=c1[nH]cccc1[N+](=O)[O-] ZINC000759168042 667796653 /nfs/dbraw/zinc/79/66/53/667796653.db2.gz KABUFNJLXMYXOK-UHFFFAOYSA-N -1 1 359.345 0.538 20 5 FCBDMM C[C@@H](O)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824699036 669408359 /nfs/dbraw/zinc/40/83/59/669408359.db2.gz PRODGZKUQOPWLT-HTQZYQBOSA-N -1 1 356.364 0.213 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(F)(F)C2)c1-c1nn[n-]n1 ZINC000826500388 669496747 /nfs/dbraw/zinc/49/67/47/669496747.db2.gz WSWQFWXIYPJMLA-UHFFFAOYSA-N -1 1 360.302 0.805 20 5 FCBDMM NC(=O)COCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809826426 669641864 /nfs/dbraw/zinc/64/18/64/669641864.db2.gz ZVZOMTHYVGZHQJ-UHFFFAOYSA-N -1 1 372.186 0.682 20 5 FCBDMM NC(=O)COCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809826088 669641906 /nfs/dbraw/zinc/64/19/06/669641906.db2.gz TVWACEITUQWTPD-UHFFFAOYSA-N -1 1 355.731 0.168 20 5 FCBDMM CNC(=O)[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831270799 669838311 /nfs/dbraw/zinc/83/83/11/669838311.db2.gz XBGFMCWMFGBILA-ZETCQYMHSA-N -1 1 372.186 0.287 20 5 FCBDMM COc1cc(Cl)c(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])cc1OC ZINC000842346128 670671551 /nfs/dbraw/zinc/67/15/51/670671551.db2.gz QOZCYYFNRBQPCU-HTRCEHHLSA-N -1 1 364.763 0.827 20 5 FCBDMM CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000854716755 671597329 /nfs/dbraw/zinc/59/73/29/671597329.db2.gz ZBBUQVVVRQALSX-VIFPVBQESA-N -1 1 356.335 0.311 20 5 FCBDMM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1ccc(-c2nnc[nH]2)cc1 ZINC000793165325 1201228264 /nfs/dbraw/zinc/22/82/64/1201228264.db2.gz CWVDUWCNKYXQST-UHFFFAOYSA-N -1 1 374.338 0.894 20 5 FCBDMM O=Cc1ccc(OCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c([N+](=O)[O-])c1 ZINC000775548160 1207844355 /nfs/dbraw/zinc/84/43/55/1207844355.db2.gz ZVGOBXYZYGEZSE-LLVKDONJSA-N -1 1 360.330 0.705 20 5 FCBDMM Cc1cc(=O)c(C(=O)[N-]OCCN(C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC000854947292 1209652399 /nfs/dbraw/zinc/65/23/99/1209652399.db2.gz ONGAJTHRDYIPPU-UHFFFAOYSA-N -1 1 361.358 0.672 20 5 FCBDMM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000780074823 1218176915 /nfs/dbraw/zinc/17/69/15/1218176915.db2.gz KLVPGPGGZLNYST-GFCCVEGCSA-N -1 1 365.342 0.584 20 5 FCBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1C[C@@H](C(=O)OC)N(C)C1 ZINC001226309664 1225839993 /nfs/dbraw/zinc/83/99/93/1225839993.db2.gz HKRKDDUDRBLBKO-SCZZXKLOSA-N -1 1 369.330 0.497 20 5 FCBDMM O=C(Cn1c(=O)onc1-c1cnccn1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000726118871 1219642763 /nfs/dbraw/zinc/64/27/63/1219642763.db2.gz HNWGEJBZTNZCOE-UHFFFAOYSA-N -1 1 370.281 0.158 20 5 FCBDMM O=[N+]([O-])c1cc(S(=O)(=O)NCCSCc2c[nH]nn2)ccc1[O-] ZINC001578049834 1275343305 /nfs/dbraw/zinc/34/33/05/1275343305.db2.gz YVRXVCLAAWNFQS-UHFFFAOYSA-N -1 1 359.389 0.630 20 5 FCBDMM CO[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C1 ZINC001579868860 1277944697 /nfs/dbraw/zinc/94/46/97/1277944697.db2.gz QOLTVUFVWZIVGZ-VIFPVBQESA-N -1 1 354.348 0.184 20 5 FCBDMM CO[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)C1 ZINC001579868860 1277944699 /nfs/dbraw/zinc/94/46/99/1277944699.db2.gz QOLTVUFVWZIVGZ-VIFPVBQESA-N -1 1 354.348 0.184 20 5 FCBDMM Nc1c(C(=O)NCc2nc(-c3nnn[n-]3)cs2)cc(F)cc1[N+](=O)[O-] ZINC001581909056 1280707088 /nfs/dbraw/zinc/70/70/88/1280707088.db2.gz NRFXBIVQBDTJHH-UHFFFAOYSA-N -1 1 364.322 0.883 20 5 FCBDMM Nc1c(C(=O)NCc2nc(-c3nn[n-]n3)cs2)cc(F)cc1[N+](=O)[O-] ZINC001581909056 1280707097 /nfs/dbraw/zinc/70/70/97/1280707097.db2.gz NRFXBIVQBDTJHH-UHFFFAOYSA-N -1 1 364.322 0.883 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ncccn2)c1-c1nn[n-]n1 ZINC001582804855 1282029501 /nfs/dbraw/zinc/02/95/01/1282029501.db2.gz OOHGEHGMMLDAIB-UHFFFAOYSA-N -1 1 362.331 0.043 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)NCc2cnoc2)c1 ZINC001582803875 1282029617 /nfs/dbraw/zinc/02/96/17/1282029617.db2.gz XVTTZLXBQVAGPC-UHFFFAOYSA-N -1 1 351.304 0.241 20 5 FCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cncc(-c2nn[nH]n2)c1 ZINC001582804874 1282029945 /nfs/dbraw/zinc/02/99/45/1282029945.db2.gz PKGHFOWJOLNPKQ-UHFFFAOYSA-N -1 1 362.331 0.043 20 5 FCBDMM CCN(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001604270392 1287596983 /nfs/dbraw/zinc/59/69/83/1287596983.db2.gz CMEFPWIQFUBAQA-UHFFFAOYSA-N -1 1 357.330 0.568 20 5 FCBDMM C[C@@H](CNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)c1ccccc1[N+](=O)[O-] ZINC001589850699 1283087667 /nfs/dbraw/zinc/08/76/67/1283087667.db2.gz HGPIUBYBZZAGQM-VHSXEESVSA-N -1 1 371.361 0.847 20 5 FCBDMM C[C@H](O)CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001589997361 1283165640 /nfs/dbraw/zinc/16/56/40/1283165640.db2.gz AFGSUMPVPBEFSY-QMMMGPOBSA-N -1 1 356.364 0.214 20 5 FCBDMM C[C@H](O)CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001589997361 1283165641 /nfs/dbraw/zinc/16/56/41/1283165641.db2.gz AFGSUMPVPBEFSY-QMMMGPOBSA-N -1 1 356.364 0.214 20 5 FCBDMM C[C@H]1CCC(=O)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590218547 1283349764 /nfs/dbraw/zinc/34/97/64/1283349764.db2.gz JNGNLTZPIGWXKP-QMMMGPOBSA-N -1 1 366.359 0.517 20 5 FCBDMM C[C@H]1CCC(=O)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590218547 1283349775 /nfs/dbraw/zinc/34/97/75/1283349775.db2.gz JNGNLTZPIGWXKP-QMMMGPOBSA-N -1 1 366.359 0.517 20 5 FCBDMM CCOC1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC001604411670 1287636116 /nfs/dbraw/zinc/63/61/16/1287636116.db2.gz BVPOUWQFEGAIQI-UHFFFAOYSA-N -1 1 354.348 0.184 20 5 FCBDMM C[C@H]1CCOCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590277100 1283405658 /nfs/dbraw/zinc/40/56/58/1283405658.db2.gz GILPXZFNEVDFIA-VIFPVBQESA-N -1 1 368.375 0.574 20 5 FCBDMM C[C@H]1CCOCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590277100 1283405661 /nfs/dbraw/zinc/40/56/61/1283405661.db2.gz GILPXZFNEVDFIA-VIFPVBQESA-N -1 1 368.375 0.574 20 5 FCBDMM C[C@@H]1OCC[C@]1(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590333528 1283478919 /nfs/dbraw/zinc/47/89/19/1283478919.db2.gz HNCYOXSVCYJOQT-SDBXPKJASA-N -1 1 368.375 0.621 20 5 FCBDMM C[C@@H]1OCC[C@]1(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590333528 1283478924 /nfs/dbraw/zinc/47/89/24/1283478924.db2.gz HNCYOXSVCYJOQT-SDBXPKJASA-N -1 1 368.375 0.621 20 5 FCBDMM C[C@H]1SCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590334883 1283480775 /nfs/dbraw/zinc/48/07/75/1283480775.db2.gz CPJKVGABQIWNLP-GMSGAONNSA-N -1 1 370.416 0.947 20 5 FCBDMM C[C@H]1SCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590334883 1283480782 /nfs/dbraw/zinc/48/07/82/1283480782.db2.gz CPJKVGABQIWNLP-GMSGAONNSA-N -1 1 370.416 0.947 20 5 FCBDMM C/C=C\C[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590353663 1283495634 /nfs/dbraw/zinc/49/56/34/1283495634.db2.gz PTBZIJJJNUOAII-PKRMOACSSA-N -1 1 368.375 0.380 20 5 FCBDMM C/C=C\C[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590353663 1283495638 /nfs/dbraw/zinc/49/56/38/1283495638.db2.gz PTBZIJJJNUOAII-PKRMOACSSA-N -1 1 368.375 0.380 20 5 FCBDMM CC[C@H](C[C@@H](C)O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001590421390 1283531185 /nfs/dbraw/zinc/53/11/85/1283531185.db2.gz IKUJEMAEMKYOEB-RKDXNWHRSA-N -1 1 370.391 0.603 20 5 FCBDMM CC[C@@H](CNS(C)(=O)=O)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590446120 1283542426 /nfs/dbraw/zinc/54/24/26/1283542426.db2.gz GQCBELXRKZDFPB-LURJTMIESA-N -1 1 361.409 0.576 20 5 FCBDMM CC[C@@H](CNS(C)(=O)=O)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590446120 1283542429 /nfs/dbraw/zinc/54/24/29/1283542429.db2.gz GQCBELXRKZDFPB-LURJTMIESA-N -1 1 361.409 0.576 20 5 FCBDMM CCC(O)(CC)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590473472 1283555564 /nfs/dbraw/zinc/55/55/64/1283555564.db2.gz MHPXZRHOQGPITM-UHFFFAOYSA-N -1 1 370.391 0.604 20 5 FCBDMM CCC(O)(CC)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590473472 1283555571 /nfs/dbraw/zinc/55/55/71/1283555571.db2.gz MHPXZRHOQGPITM-UHFFFAOYSA-N -1 1 370.391 0.604 20 5 FCBDMM CC[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C[C@H]1O ZINC001590525419 1283588421 /nfs/dbraw/zinc/58/84/21/1283588421.db2.gz YBOJSRQLCWDEPM-LDYMZIIASA-N -1 1 368.375 0.166 20 5 FCBDMM CC[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)C[C@H]1O ZINC001590525419 1283588426 /nfs/dbraw/zinc/58/84/26/1283588426.db2.gz YBOJSRQLCWDEPM-LDYMZIIASA-N -1 1 368.375 0.166 20 5 FCBDMM CCCc1n[nH]c(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC001590655093 1283705878 /nfs/dbraw/zinc/70/58/78/1283705878.db2.gz SUVIKHFJURIPOT-UHFFFAOYSA-N -1 1 357.334 0.776 20 5 FCBDMM CCOC(=O)[C@](C)(O)CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590749684 1283801816 /nfs/dbraw/zinc/80/18/16/1283801816.db2.gz AGWIGCIXJLURDK-CQSZACIVSA-N -1 1 350.335 0.809 20 5 FCBDMM CCOC(=O)[C@](C)(O)CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590749684 1283801821 /nfs/dbraw/zinc/80/18/21/1283801821.db2.gz AGWIGCIXJLURDK-CQSZACIVSA-N -1 1 350.335 0.809 20 5 FCBDMM CCOCCOC[C@H](O)CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590814058 1283895333 /nfs/dbraw/zinc/89/53/33/1283895333.db2.gz MLLSQYDHVNICPX-GFCCVEGCSA-N -1 1 366.378 0.909 20 5 FCBDMM CCOCCOC[C@H](O)CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590814058 1283895343 /nfs/dbraw/zinc/89/53/43/1283895343.db2.gz MLLSQYDHVNICPX-GFCCVEGCSA-N -1 1 366.378 0.909 20 5 FCBDMM CCS(=O)(=O)CCCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590846099 1283918331 /nfs/dbraw/zinc/91/83/31/1283918331.db2.gz AAQXCIHTZAWVDB-UHFFFAOYSA-N -1 1 355.380 0.594 20 5 FCBDMM CCS(=O)(=O)CCCNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590846099 1283918342 /nfs/dbraw/zinc/91/83/42/1283918342.db2.gz AAQXCIHTZAWVDB-UHFFFAOYSA-N -1 1 355.380 0.594 20 5 FCBDMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCc2ccc([N+](=O)[O-])cc2)c1=O ZINC001604600752 1287676725 /nfs/dbraw/zinc/67/67/25/1287676725.db2.gz FMZADRTZWWORJP-UHFFFAOYSA-N -1 1 357.330 0.361 20 5 FCBDMM CN(C)C(=O)N[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001591003785 1284064120 /nfs/dbraw/zinc/06/41/20/1284064120.db2.gz XUDHIYQLZMBDIW-VIFPVBQESA-N -1 1 361.366 0.410 20 5 FCBDMM CN(C)C(=O)N[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001591003785 1284064123 /nfs/dbraw/zinc/06/41/23/1284064123.db2.gz XUDHIYQLZMBDIW-VIFPVBQESA-N -1 1 361.366 0.410 20 5 FCBDMM CNC(=O)NC1CCN(c2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001591210231 1284342129 /nfs/dbraw/zinc/34/21/29/1284342129.db2.gz ZUTYRMDJFRSPAG-UHFFFAOYSA-N -1 1 360.378 0.981 20 5 FCBDMM CNC(=O)NC1CCN(c2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001591210231 1284342138 /nfs/dbraw/zinc/34/21/38/1284342138.db2.gz ZUTYRMDJFRSPAG-UHFFFAOYSA-N -1 1 360.378 0.981 20 5 FCBDMM CNc1nccc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)c1[N+](=O)[O-] ZINC001591225752 1284363912 /nfs/dbraw/zinc/36/39/12/1284363912.db2.gz WRTCVDGRVPKGBL-UHFFFAOYSA-N -1 1 361.347 0.598 20 5 FCBDMM CNc1nccc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)c1[N+](=O)[O-] ZINC001591225752 1284363917 /nfs/dbraw/zinc/36/39/17/1284363917.db2.gz WRTCVDGRVPKGBL-UHFFFAOYSA-N -1 1 361.347 0.598 20 5 FCBDMM COc1cc(NC(=O)Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)cc(OC)c1 ZINC001591541535 1284721094 /nfs/dbraw/zinc/72/10/94/1284721094.db2.gz VCEYUOAXTCCEEK-UHFFFAOYSA-N -1 1 374.317 0.627 20 5 FCBDMM COc1cc(NCCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ncn1 ZINC001591547427 1284726938 /nfs/dbraw/zinc/72/69/38/1284726938.db2.gz UKDDRIVZBJPPMJ-UHFFFAOYSA-N -1 1 372.349 0.883 20 5 FCBDMM COc1cc(NCCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ncn1 ZINC001591547427 1284726946 /nfs/dbraw/zinc/72/69/46/1284726946.db2.gz UKDDRIVZBJPPMJ-UHFFFAOYSA-N -1 1 372.349 0.883 20 5 FCBDMM Cc1cc(N2CCS(=O)(=O)C[C@H](C)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592008942 1285055914 /nfs/dbraw/zinc/05/59/14/1285055914.db2.gz OMEKRHUNIMNSHB-SECBINFHSA-N -1 1 366.403 0.954 20 5 FCBDMM Cc1cc(N2CCS(=O)(=O)C[C@H](C)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592008942 1285055925 /nfs/dbraw/zinc/05/59/25/1285055925.db2.gz OMEKRHUNIMNSHB-SECBINFHSA-N -1 1 366.403 0.954 20 5 FCBDMM Cc1cc(NC[C@@]2(OCCO)CCOC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592043097 1285083643 /nfs/dbraw/zinc/08/36/43/1285083643.db2.gz ZQBBZZOTQVTGDH-HNNXBMFYSA-N -1 1 364.362 0.663 20 5 FCBDMM Cc1cc(NC[C@@]2(OCCO)CCOC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592043097 1285083655 /nfs/dbraw/zinc/08/36/55/1285083655.db2.gz ZQBBZZOTQVTGDH-HNNXBMFYSA-N -1 1 364.362 0.663 20 5 FCBDMM Cc1cc(NCCOCCS(C)(=O)=O)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592050985 1285097700 /nfs/dbraw/zinc/09/77/00/1285097700.db2.gz VYCBIWKFOXHOBK-UHFFFAOYSA-N -1 1 370.391 0.556 20 5 FCBDMM Cc1cc(NCCOCCS(C)(=O)=O)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592050985 1285097711 /nfs/dbraw/zinc/09/77/11/1285097711.db2.gz VYCBIWKFOXHOBK-UHFFFAOYSA-N -1 1 370.391 0.556 20 5 FCBDMM Cc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)o1 ZINC001592294208 1285219707 /nfs/dbraw/zinc/21/97/07/1285219707.db2.gz XWCIUNZXGOPRRC-UHFFFAOYSA-N -1 1 365.331 0.550 20 5 FCBDMM NS(=O)(=O)C[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592746786 1285666264 /nfs/dbraw/zinc/66/62/64/1285666264.db2.gz GDRZMDQIFBBVTJ-QMMMGPOBSA-N -1 1 353.364 0.032 20 5 FCBDMM NS(=O)(=O)C[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592746786 1285666268 /nfs/dbraw/zinc/66/62/68/1285666268.db2.gz GDRZMDQIFBBVTJ-QMMMGPOBSA-N -1 1 353.364 0.032 20 5 FCBDMM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001592938072 1285828009 /nfs/dbraw/zinc/82/80/09/1285828009.db2.gz XENUYGVYAGUSEJ-UHFFFAOYSA-N -1 1 355.727 0.720 20 5 FCBDMM O=C(NC1CC1)N[C@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001592967161 1285851773 /nfs/dbraw/zinc/85/17/73/1285851773.db2.gz KHSDLFMTYDVRMZ-VIFPVBQESA-N -1 1 359.350 0.210 20 5 FCBDMM O=C(NC1CC1)N[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001592967161 1285851775 /nfs/dbraw/zinc/85/17/75/1285851775.db2.gz KHSDLFMTYDVRMZ-VIFPVBQESA-N -1 1 359.350 0.210 20 5 FCBDMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001593337152 1286085331 /nfs/dbraw/zinc/08/53/31/1286085331.db2.gz RWIMVUJOCHBDJU-UHFFFAOYSA-N -1 1 369.345 0.844 20 5 FCBDMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001593337152 1286085337 /nfs/dbraw/zinc/08/53/37/1286085337.db2.gz RWIMVUJOCHBDJU-UHFFFAOYSA-N -1 1 369.345 0.844 20 5 FCBDMM O=C1NC(=O)[C@@]2(CCC[C@H]2CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)N1 ZINC001593401166 1286121702 /nfs/dbraw/zinc/12/17/02/1286121702.db2.gz HPQLJJKJLPVEMJ-AYVTZFPOSA-N -1 1 372.345 0.565 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1S[C@H]1CCCS(=O)(=O)C1 ZINC001593465181 1286171056 /nfs/dbraw/zinc/17/10/56/1286171056.db2.gz JSZPHJRCRQZAQP-ZETCQYMHSA-N -1 1 356.389 0.839 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1S[C@H]1CCCS(=O)(=O)C1 ZINC001593465181 1286171061 /nfs/dbraw/zinc/17/10/61/1286171061.db2.gz JSZPHJRCRQZAQP-ZETCQYMHSA-N -1 1 356.389 0.839 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(OCCO)CCOCC1 ZINC001593465697 1286171335 /nfs/dbraw/zinc/17/13/35/1286171335.db2.gz WJTVWLRGTBLYHD-UHFFFAOYSA-N -1 1 365.350 0.140 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(OCCO)CCOCC1 ZINC001593465697 1286171339 /nfs/dbraw/zinc/17/13/39/1286171339.db2.gz WJTVWLRGTBLYHD-UHFFFAOYSA-N -1 1 365.350 0.140 20 5 FCBDMM O=[N+]([O-])c1cc(N2CCC[C@H](n3cc(CO)nn3)C2)ccc1-c1nn[n-]n1 ZINC001593470387 1286172939 /nfs/dbraw/zinc/17/29/39/1286172939.db2.gz CORZYLSXAQPCEM-LBPRGKRZSA-N -1 1 371.361 0.700 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H](CO)C2CCC2)c1-c1nn[n-]n1 ZINC001593483730 1286174659 /nfs/dbraw/zinc/17/46/59/1286174659.db2.gz FYVNHCUHLFODJV-VIFPVBQESA-N -1 1 368.375 0.214 20 5 FCBDMM CC(=O)CN(C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001602916530 1287158506 /nfs/dbraw/zinc/15/85/06/1287158506.db2.gz QNNYCKWUDRZDFF-UHFFFAOYSA-N -1 1 368.375 0.763 20 5 FCBDMM CC(=O)CN(C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001602916530 1287158512 /nfs/dbraw/zinc/15/85/12/1287158512.db2.gz QNNYCKWUDRZDFF-UHFFFAOYSA-N -1 1 368.375 0.763 20 5 FCBDMM CNS(=O)(=O)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001604894857 1287810102 /nfs/dbraw/zinc/81/01/02/1287810102.db2.gz TWHWCHTUVSQYFM-JTQLQIEISA-N -1 1 367.391 0.293 20 5 FCBDMM C[S@](=N)(=O)N1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001605352196 1287932390 /nfs/dbraw/zinc/93/23/90/1287932390.db2.gz LACKSIWPVWPVPO-HSZRJFAPSA-N -1 1 358.409 0.550 20 5 FCBDMM C[S@](=N)(=O)N1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001605352196 1287932393 /nfs/dbraw/zinc/93/23/93/1287932393.db2.gz LACKSIWPVWPVPO-HSZRJFAPSA-N -1 1 358.409 0.550 20 5 FCBDMM C[C@@H](NC(=O)NCCn1cnc(-c2nn[n-]n2)n1)c1ccccc1[N+](=O)[O-] ZINC001605404318 1287950283 /nfs/dbraw/zinc/95/02/83/1287950283.db2.gz GODZTGHUIRHKJD-SECBINFHSA-N -1 1 372.349 0.427 20 5 FCBDMM Cc1cc(NCCS(=O)(=O)N(C)C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605736404 1288067740 /nfs/dbraw/zinc/06/77/40/1288067740.db2.gz KWVCFRTXEMULQJ-UHFFFAOYSA-N -1 1 355.380 0.387 20 5 FCBDMM Cc1cc(NCCS(=O)(=O)N(C)C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605736404 1288067746 /nfs/dbraw/zinc/06/77/46/1288067746.db2.gz KWVCFRTXEMULQJ-UHFFFAOYSA-N -1 1 355.380 0.387 20 5 FCBDMM CN(Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC001606160651 1288192802 /nfs/dbraw/zinc/19/28/02/1288192802.db2.gz VPFKAOSDHPJJRW-CJNGLKHVSA-N -1 1 365.386 0.963 20 5 FCBDMM O=C1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCN1CC(F)(F)F ZINC001607047270 1288616568 /nfs/dbraw/zinc/61/65/68/1288616568.db2.gz 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O=[N+]([O-])c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001609602514 1289258325 /nfs/dbraw/zinc/25/83/25/1289258325.db2.gz RAWUJISWKSDEKG-UHFFFAOYSA-N -1 1 373.354 0.921 20 5 FCBDMM O=[N+]([O-])c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001609602514 1289258332 /nfs/dbraw/zinc/25/83/32/1289258332.db2.gz RAWUJISWKSDEKG-UHFFFAOYSA-N -1 1 373.354 0.921 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCCCCO)c1-c1nn[n-]n1 ZINC001609602771 1289258414 /nfs/dbraw/zinc/25/84/14/1289258414.db2.gz HSMZEKASHIKLQV-UHFFFAOYSA-N -1 1 356.364 0.216 20 5 FCBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC001609735331 1289287335 /nfs/dbraw/zinc/28/73/35/1289287335.db2.gz VPALTQVXXYBWJJ-SECBINFHSA-N -1 1 354.338 0.937 20 5 FCBDMM CNC(=O)c1ccc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC001309098073 866741009 /nfs/dbraw/zinc/74/10/09/866741009.db2.gz VOZBDQYXLHDEMT-UHFFFAOYSA-N -1 1 350.356 0.828 20 5 FCBDMM C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)c1ccc([N+](=O)[O-])cc1 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O=C(NCc1cccnc1N1CCOCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000473277813 250214194 /nfs/dbraw/zinc/21/41/94/250214194.db2.gz XBJSQZRZFUBGJA-UHFFFAOYSA-N -1 1 359.342 0.857 20 5 FCBDMM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC1(c2nn[n-]n2)CCCC1 ZINC000474130958 250271467 /nfs/dbraw/zinc/27/14/67/250271467.db2.gz GVWDVMWXXWMLIV-UHFFFAOYSA-N -1 1 359.346 0.423 20 5 FCBDMM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])NCC(F)F ZINC000481610094 250345973 /nfs/dbraw/zinc/34/59/73/250345973.db2.gz OQILXKSXWHBAQE-UHFFFAOYSA-N -1 1 357.722 0.908 20 5 FCBDMM Cc1ccc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000323871710 488904245 /nfs/dbraw/zinc/90/42/45/488904245.db2.gz RQZUZZZINYOFSF-NSHDSACASA-N -1 1 354.344 0.601 20 5 FCBDMM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC(O)(CN2CCOCC2)CC1 ZINC000364308737 488946303 /nfs/dbraw/zinc/94/63/03/488946303.db2.gz VJLSVQPDMRPXOB-UHFFFAOYSA-N -1 1 365.386 0.600 20 5 FCBDMM NS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)s1 ZINC000011205771 487540137 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COc1cc[n-]c(=NNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])n1 ZINC000766319372 668026458 /nfs/dbraw/zinc/02/64/58/668026458.db2.gz KHEUBPICYPYOSO-UHFFFAOYSA-N -1 1 353.360 0.882 20 5 FCBDMM CCOC(=O)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000767849934 668062306 /nfs/dbraw/zinc/06/23/06/668062306.db2.gz NVXZEBAZWPZZFO-LBPRGKRZSA-N -1 1 366.779 0.841 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2COC3(CCCC3)O2)c([N+](=O)[O-])n1 ZINC000773347152 668087870 /nfs/dbraw/zinc/08/78/70/668087870.db2.gz AAVYHNJVBXYJNR-JTQLQIEISA-N -1 1 360.392 0.775 20 5 FCBDMM Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000776566577 668272711 /nfs/dbraw/zinc/27/27/11/668272711.db2.gz WXDYJEBLPIVFDA-SECBINFHSA-N -1 1 352.380 0.320 20 5 FCBDMM COc1cc[n-]c(=NNS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)n1 ZINC000777603335 668332524 /nfs/dbraw/zinc/33/25/24/668332524.db2.gz LDMDOJGRLFRTSV-UHFFFAOYSA-N -1 1 373.322 0.847 20 5 FCBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000784213822 668647108 /nfs/dbraw/zinc/64/71/08/668647108.db2.gz HUXHUWMGNQIRPQ-PSASIEDQSA-N -1 1 372.355 0.149 20 5 FCBDMM CCS(=O)(=O)CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000841566354 669329582 /nfs/dbraw/zinc/32/95/82/669329582.db2.gz HHMDGRVBTSFFNN-UHFFFAOYSA-N -1 1 354.381 0.837 20 5 FCBDMM COC1(C)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000826143700 669485656 /nfs/dbraw/zinc/48/56/56/669485656.db2.gz LXBNORIUPLMEIB-UHFFFAOYSA-N -1 1 354.348 0.184 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCC2CCOCC2)c1-c1nn[n-]n1 ZINC000826500348 669496653 /nfs/dbraw/zinc/49/66/53/669496653.db2.gz VJQNAJWJICZGHQ-UHFFFAOYSA-N -1 1 368.375 0.480 20 5 FCBDMM CN(C)C(=O)NCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815028840 669895988 /nfs/dbraw/zinc/89/59/88/669895988.db2.gz IOUDMFSFNMSYLR-UHFFFAOYSA-N -1 1 368.774 0.937 20 5 FCBDMM COCC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(N)=O ZINC000815030055 669896097 /nfs/dbraw/zinc/89/60/97/669896097.db2.gz GLZWLDLISGINMU-QMMMGPOBSA-N -1 1 369.758 0.556 20 5 FCBDMM O=C([N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000842321414 670668183 /nfs/dbraw/zinc/66/81/83/670668183.db2.gz YFSGZIMESVGNFU-CHWSQXEVSA-N -1 1 350.356 0.402 20 5 FCBDMM O=C(CCS(=O)(=O)[N-]C(=O)[C@@H]1CC1[N+](=O)[O-])OCc1ccccc1 ZINC000842323235 670668344 /nfs/dbraw/zinc/66/83/44/670668344.db2.gz HHPLWOHQKOWSNW-VXGBXAGGSA-N -1 1 356.356 0.231 20 5 FCBDMM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000843790169 670854887 /nfs/dbraw/zinc/85/48/87/670854887.db2.gz CTIGFTJYPVRETL-SECBINFHSA-N -1 1 354.710 0.681 20 5 FCBDMM O=Cc1ccc(OCC(=O)N2CCC[C@H](c3nn[n-]n3)C2)c([N+](=O)[O-])c1 ZINC000775548161 1207844450 /nfs/dbraw/zinc/84/44/50/1207844450.db2.gz ZVGOBXYZYGEZSE-NSHDSACASA-N -1 1 360.330 0.705 20 5 FCBDMM O=C(N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ncccc1[O-] ZINC000963962331 1214879647 /nfs/dbraw/zinc/87/96/47/1214879647.db2.gz RUFHNMPCNKMTKA-FDYHWXHSSA-N -1 1 362.386 0.857 20 5 FCBDMM CCC1(NC(=O)c2ncccc2[O-])CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001069368587 1216787011 /nfs/dbraw/zinc/78/70/11/1216787011.db2.gz YJJONYVHGICCDC-VXGBXAGGSA-N -1 1 362.386 0.953 20 5 FCBDMM O=c1[nH]c2[n-]c(O[C@@H](C[N+](=O)[O-])c3ccc4c(c3)OCO4)nc2c(=O)[nH]1 ZINC001227432963 1225874428 /nfs/dbraw/zinc/87/44/28/1225874428.db2.gz UQFIOOOFJUIVMH-VIFPVBQESA-N -1 1 361.270 0.890 20 5 FCBDMM O=[N+]([O-])c1cc(Nc2ccnc3c(N(CCO)CCO)cnn32)ccc1[O-] ZINC001210395520 1223686911 /nfs/dbraw/zinc/68/69/11/1223686911.db2.gz YVEBIHBAUQWDSU-UHFFFAOYSA-N -1 1 374.357 0.878 20 5 FCBDMM CC1(C)COCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001575747348 1272414397 /nfs/dbraw/zinc/41/43/97/1272414397.db2.gz XLQTYSPJCSGBFR-UHFFFAOYSA-N -1 1 368.375 0.574 20 5 FCBDMM CC1(C)COCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001575747348 1272414403 /nfs/dbraw/zinc/41/44/03/1272414403.db2.gz XLQTYSPJCSGBFR-UHFFFAOYSA-N -1 1 368.375 0.574 20 5 FCBDMM CCOc1cccc(CNC(=O)Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)c1 ZINC001578400564 1275775229 /nfs/dbraw/zinc/77/52/29/1275775229.db2.gz QJRVNSKXFBVEGX-UHFFFAOYSA-N -1 1 372.345 0.687 20 5 FCBDMM CC(C)OCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001603354427 1287360301 /nfs/dbraw/zinc/36/03/01/1287360301.db2.gz PZKJMAFKJDRSLF-UHFFFAOYSA-N -1 1 356.364 0.478 20 5 FCBDMM C[C@@H]1C(=O)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001603829945 1287509856 /nfs/dbraw/zinc/50/98/56/1287509856.db2.gz DDDRJOXRYIPHIF-MRVPVSSYSA-N -1 1 366.359 0.517 20 5 FCBDMM C[C@@H]1C(=O)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001603829945 1287509861 /nfs/dbraw/zinc/50/98/61/1287509861.db2.gz DDDRJOXRYIPHIF-MRVPVSSYSA-N -1 1 366.359 0.517 20 5 FCBDMM C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC[S@@](=O)C1 ZINC001603938736 1287539345 /nfs/dbraw/zinc/53/93/45/1287539345.db2.gz GWPSVGUXQDSGME-OYWLMSRLSA-N -1 1 351.392 0.562 20 5 FCBDMM C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC[S@@](=O)C1 ZINC001603938736 1287539347 /nfs/dbraw/zinc/53/93/47/1287539347.db2.gz GWPSVGUXQDSGME-OYWLMSRLSA-N -1 1 351.392 0.562 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001582803705 1282030168 /nfs/dbraw/zinc/03/01/68/1282030168.db2.gz RFLBHRXCLMFFDA-AOOOYVTPSA-N -1 1 366.359 0.327 20 5 FCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001582803705 1282030175 /nfs/dbraw/zinc/03/01/75/1282030175.db2.gz RFLBHRXCLMFFDA-AOOOYVTPSA-N -1 1 366.359 0.327 20 5 FCBDMM C[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])n1cnc(-c2nn[n-]n2)n1 ZINC001588943702 1282738013 /nfs/dbraw/zinc/73/80/13/1282738013.db2.gz ZUGHXNSBKXJKSA-VIFPVBQESA-N -1 1 357.334 0.586 20 5 FCBDMM CC(C)NC(=O)[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001589724857 1282964368 /nfs/dbraw/zinc/96/43/68/1282964368.db2.gz YYUKRJKIIAPSDF-SNVBAGLBSA-N -1 1 360.378 0.911 20 5 FCBDMM CC(C)NC(=O)[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001589724857 1282964373 /nfs/dbraw/zinc/96/43/73/1282964373.db2.gz YYUKRJKIIAPSDF-SNVBAGLBSA-N -1 1 360.378 0.911 20 5 FCBDMM C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001589978257 1283153736 /nfs/dbraw/zinc/15/37/36/1283153736.db2.gz KODCZLBEKKMQIN-SSDOTTSWSA-N -1 1 358.318 0.747 20 5 FCBDMM C[C@H]1[C@H](CO)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590171705 1283269163 /nfs/dbraw/zinc/26/91/63/1283269163.db2.gz WYTIKMCQOACSBH-IUCAKERBSA-N -1 1 368.375 0.166 20 5 FCBDMM C[C@H]1[C@H](CO)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590171705 1283269172 /nfs/dbraw/zinc/26/91/72/1283269172.db2.gz WYTIKMCQOACSBH-IUCAKERBSA-N -1 1 368.375 0.166 20 5 FCBDMM C[C@@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CCO1 ZINC001590206823 1283324799 /nfs/dbraw/zinc/32/47/99/1283324799.db2.gz LUCMFJBSOFUEDS-RKDXNWHRSA-N -1 1 368.375 0.621 20 5 FCBDMM C[C@@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CCO1 ZINC001590206823 1283324811 /nfs/dbraw/zinc/32/48/11/1283324811.db2.gz LUCMFJBSOFUEDS-RKDXNWHRSA-N -1 1 368.375 0.621 20 5 FCBDMM C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CC[C@H]1O ZINC001590310080 1283455189 /nfs/dbraw/zinc/45/51/89/1283455189.db2.gz OJMNUAIXQMLJAA-LDYMZIIASA-N -1 1 368.375 0.166 20 5 FCBDMM C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CC[C@H]1O ZINC001590310080 1283455198 /nfs/dbraw/zinc/45/51/98/1283455198.db2.gz OJMNUAIXQMLJAA-LDYMZIIASA-N -1 1 368.375 0.166 20 5 FCBDMM C[C@H]1OCC[C@@]1(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590333525 1283477445 /nfs/dbraw/zinc/47/74/45/1283477445.db2.gz HNCYOXSVCYJOQT-AMIZOPFISA-N -1 1 368.375 0.621 20 5 FCBDMM C[C@H]1OCC[C@@]1(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590333525 1283477453 /nfs/dbraw/zinc/47/74/53/1283477453.db2.gz HNCYOXSVCYJOQT-AMIZOPFISA-N -1 1 368.375 0.621 20 5 FCBDMM CCOC(=O)[C@@H](F)C1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590753552 1283810862 /nfs/dbraw/zinc/81/08/62/1283810862.db2.gz MRONLQQEBMWAIF-VIFPVBQESA-N -1 1 351.298 0.507 20 5 FCBDMM CCOC(=O)[C@@H](F)C1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590753552 1283810872 /nfs/dbraw/zinc/81/08/72/1283810872.db2.gz MRONLQQEBMWAIF-VIFPVBQESA-N -1 1 351.298 0.507 20 5 FCBDMM CCOCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590810154 1283886556 /nfs/dbraw/zinc/88/65/56/1283886556.db2.gz IKMKUNWPBUOANG-UHFFFAOYSA-N -1 1 356.364 0.480 20 5 FCBDMM CCOCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590810154 1283886567 /nfs/dbraw/zinc/88/65/67/1283886567.db2.gz IKMKUNWPBUOANG-UHFFFAOYSA-N -1 1 356.364 0.480 20 5 FCBDMM CN1CCC2(CCN(c3cc(N)c([N+](=O)[O-])c(-c4nnn[n-]4)c3)CC2)C1=O ZINC001591182488 1284283463 /nfs/dbraw/zinc/28/34/63/1284283463.db2.gz IVSLIIPBSZBNKL-UHFFFAOYSA-N -1 1 372.389 0.806 20 5 FCBDMM CN1CCC2(CCN(c3cc(N)c([N+](=O)[O-])c(-c4nn[n-]n4)c3)CC2)C1=O ZINC001591182488 1284283476 /nfs/dbraw/zinc/28/34/76/1284283476.db2.gz IVSLIIPBSZBNKL-UHFFFAOYSA-N -1 1 372.389 0.806 20 5 FCBDMM CNS(=O)(=O)C[C@@H]1CCCN1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591219434 1284360492 /nfs/dbraw/zinc/36/04/92/1284360492.db2.gz MQLCAOGSWJHGRB-ZETCQYMHSA-N -1 1 373.420 0.354 20 5 FCBDMM CNS(=O)(=O)C[C@@H]1CCCN1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591219434 1284360503 /nfs/dbraw/zinc/36/05/03/1284360503.db2.gz MQLCAOGSWJHGRB-ZETCQYMHSA-N -1 1 373.420 0.354 20 5 FCBDMM COC(=O)C[C@@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001591264369 1284421683 /nfs/dbraw/zinc/42/16/83/1284421683.db2.gz POZNQYUNXASNRN-SSDOTTSWSA-N -1 1 354.348 0.605 20 5 FCBDMM COC(=O)C[C@@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001591264369 1284421687 /nfs/dbraw/zinc/42/16/87/1284421687.db2.gz POZNQYUNXASNRN-SSDOTTSWSA-N -1 1 354.348 0.605 20 5 FCBDMM COC(=O)c1ccc([N+](=O)[O-])c(Cn2cc(-c3nn[n-]n3)ccc2=O)c1 ZINC001591298390 1284450294 /nfs/dbraw/zinc/45/02/94/1284450294.db2.gz AGTAOWHBMPHLNI-UHFFFAOYSA-N -1 1 356.298 0.772 20 5 FCBDMM COC(=O)c1cn(CCNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)nn1 ZINC001591307029 1284458591 /nfs/dbraw/zinc/45/85/91/1284458591.db2.gz WTOPWEWHDQEZJP-UHFFFAOYSA-N -1 1 359.306 0.265 20 5 FCBDMM CS(=O)(=O)CC1(CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001591672947 1284804793 /nfs/dbraw/zinc/80/47/93/1284804793.db2.gz KCVHTNNTDSJDMM-UHFFFAOYSA-N -1 1 367.391 0.594 20 5 FCBDMM CS(=O)(=O)CC1(CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001591672947 1284804799 /nfs/dbraw/zinc/80/47/99/1284804799.db2.gz KCVHTNNTDSJDMM-UHFFFAOYSA-N -1 1 367.391 0.594 20 5 FCBDMM CS(=O)(=O)[C@H]1CCCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001591674245 1284808530 /nfs/dbraw/zinc/80/85/30/1284808530.db2.gz SGSOINNULCEPLP-VIFPVBQESA-N -1 1 367.391 0.573 20 5 FCBDMM CS(=O)(=O)[C@H]1CCCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001591674245 1284808539 /nfs/dbraw/zinc/80/85/39/1284808539.db2.gz SGSOINNULCEPLP-VIFPVBQESA-N -1 1 367.391 0.573 20 5 FCBDMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC001591747906 1284870853 /nfs/dbraw/zinc/87/08/53/1284870853.db2.gz AVVFRULONYBFFU-SECBINFHSA-N -1 1 367.391 0.245 20 5 FCBDMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC001591747906 1284870865 /nfs/dbraw/zinc/87/08/65/1284870865.db2.gz AVVFRULONYBFFU-SECBINFHSA-N -1 1 367.391 0.245 20 5 FCBDMM Cc1cc(-c2nn[n-]n2)c(=O)n(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001591836527 1284944916 /nfs/dbraw/zinc/94/49/16/1284944916.db2.gz ZWYBBTHHBXYURO-UHFFFAOYSA-N -1 1 369.341 0.908 20 5 FCBDMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)O[C@@H](C)C[N+](=O)[O-])CC2)o1 ZINC001592339231 1285246948 /nfs/dbraw/zinc/24/69/48/1285246948.db2.gz YRCVMUNLCHDGPA-QMMMGPOBSA-N -1 1 365.350 0.588 20 5 FCBDMM Cc1nc2n(n1)C[C@H](Nc1cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c1)CC2 ZINC001592404773 1285314900 /nfs/dbraw/zinc/31/49/00/1285314900.db2.gz FNRVGOUSWIRFLH-MRVPVSSYSA-N -1 1 356.350 0.684 20 5 FCBDMM Cc1nc2n(n1)C[C@H](Nc1cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c1)CC2 ZINC001592404773 1285314911 /nfs/dbraw/zinc/31/49/11/1285314911.db2.gz FNRVGOUSWIRFLH-MRVPVSSYSA-N -1 1 356.350 0.684 20 5 FCBDMM CN(c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC001604828197 1287788200 /nfs/dbraw/zinc/78/82/00/1287788200.db2.gz KFDLNLZXPPYROL-ZETCQYMHSA-N -1 1 373.420 0.307 20 5 FCBDMM CN(c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC001604828197 1287788207 /nfs/dbraw/zinc/78/82/07/1287788207.db2.gz KFDLNLZXPPYROL-ZETCQYMHSA-N -1 1 373.420 0.307 20 5 FCBDMM Cn1cc(C[C@H](CO)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC001592571258 1285487786 /nfs/dbraw/zinc/48/77/86/1285487786.db2.gz VGQWBNNDYNAIAU-JTQLQIEISA-N -1 1 359.350 0.167 20 5 FCBDMM Cn1cc(C[C@H](CO)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1 ZINC001592571258 1285487794 /nfs/dbraw/zinc/48/77/94/1285487794.db2.gz VGQWBNNDYNAIAU-JTQLQIEISA-N -1 1 359.350 0.167 20 5 FCBDMM Cn1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)c1 ZINC001592581046 1285502954 /nfs/dbraw/zinc/50/29/54/1285502954.db2.gz XRGAFXCDOBSXEJ-UHFFFAOYSA-N -1 1 363.359 0.592 20 5 FCBDMM Cn1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)c1 ZINC001592581046 1285502959 /nfs/dbraw/zinc/50/29/59/1285502959.db2.gz XRGAFXCDOBSXEJ-UHFFFAOYSA-N -1 1 363.359 0.592 20 5 FCBDMM Nc1cc(NCCS(=O)(=O)CC2CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760457 1285681519 /nfs/dbraw/zinc/68/15/19/1285681519.db2.gz YTAPJISDNBMBMM-UHFFFAOYSA-N -1 1 367.391 0.594 20 5 FCBDMM Nc1cc(NCCS(=O)(=O)CC2CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760457 1285681530 /nfs/dbraw/zinc/68/15/30/1285681530.db2.gz YTAPJISDNBMBMM-UHFFFAOYSA-N -1 1 367.391 0.594 20 5 FCBDMM Nc1cc(N[C@H]2CCCS(=O)(=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760031 1285682107 /nfs/dbraw/zinc/68/21/07/1285682107.db2.gz PFPJTQZTKOFWSP-ZETCQYMHSA-N -1 1 353.364 0.346 20 5 FCBDMM Nc1cc(N[C@H]2CCCS(=O)(=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760031 1285682117 /nfs/dbraw/zinc/68/21/17/1285682117.db2.gz PFPJTQZTKOFWSP-ZETCQYMHSA-N -1 1 353.364 0.346 20 5 FCBDMM O=C(Cn1cc(-c2nn[n-]n2)ccc1=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001592936649 1285826182 /nfs/dbraw/zinc/82/61/82/1285826182.db2.gz UZHUSHPZFBSYTB-UHFFFAOYSA-N -1 1 367.325 0.526 20 5 FCBDMM O=C(NC1CC1)[C@@H](c1ccc(F)cc1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001592967480 1285851779 /nfs/dbraw/zinc/85/17/79/1285851779.db2.gz OOSHAVYPMULKRX-CYBMUJFWSA-N -1 1 372.320 0.979 20 5 FCBDMM O=C([N-]CC1CN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1)C(F)(F)F ZINC001593046395 1285938154 /nfs/dbraw/zinc/93/81/54/1285938154.db2.gz WYSQZQGMTSRMLB-UHFFFAOYSA-N -1 1 371.279 0.890 20 5 FCBDMM CN(CCCCCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001609275102 1289040964 /nfs/dbraw/zinc/04/09/64/1289040964.db2.gz GLBPFNRSYMBYHR-UHFFFAOYSA-N -1 1 370.391 0.558 20 5 FCBDMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001593111804 1286010850 /nfs/dbraw/zinc/01/08/50/1286010850.db2.gz FOVFXPSQCSBFKD-UHFFFAOYSA-N -1 1 362.285 0.327 20 5 FCBDMM O=C1NC(=O)[C@]2(CCC[C@@H]2CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])N1 ZINC001593401100 1286121163 /nfs/dbraw/zinc/12/11/63/1286121163.db2.gz GNYCTQCEDLGQKZ-ANRSDYALSA-N -1 1 372.345 0.565 20 5 FCBDMM O=C1NC(=O)[C@]2(CCC[C@@H]2CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])N1 ZINC001593401100 1286121169 /nfs/dbraw/zinc/12/11/69/1286121169.db2.gz GNYCTQCEDLGQKZ-ANRSDYALSA-N -1 1 372.345 0.565 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H](n2ccnn2)CC1 ZINC001593466788 1286170233 /nfs/dbraw/zinc/17/02/33/1286170233.db2.gz XIHZJPXPLJRCOR-SNVBAGLBSA-N -1 1 356.350 0.993 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H](n2ccnn2)CC1 ZINC001593466788 1286170238 /nfs/dbraw/zinc/17/02/38/1286170238.db2.gz XIHZJPXPLJRCOR-SNVBAGLBSA-N -1 1 356.350 0.993 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2ccco2)c1-c1nn[n-]n1 ZINC001593485181 1286174930 /nfs/dbraw/zinc/17/49/30/1286174930.db2.gz MAPAZHNWFIRFIE-UHFFFAOYSA-N -1 1 364.343 0.889 20 5 FCBDMM O=[N+]([O-])c1ncccc1CN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001593488067 1286176252 /nfs/dbraw/zinc/17/62/52/1286176252.db2.gz WPHYTHNKSQJGSV-UHFFFAOYSA-N -1 1 367.373 0.887 20 5 FCBDMM O=C1N=NCN1C1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC001593491995 1286178995 /nfs/dbraw/zinc/17/89/95/1286178995.db2.gz GPKJEWUBPXRMKN-UHFFFAOYSA-N -1 1 357.334 0.914 20 5 FCBDMM O=C([O-])[C@]1([NH+]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)CCOC1 ZINC001602624296 1287037199 /nfs/dbraw/zinc/03/71/99/1287037199.db2.gz XYWJCLMSODUPLC-INIZCTEOSA-N -1 1 365.342 0.302 20 5 FCBDMM CC(=O)NCc1ccc(C(=O)Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)cc1 ZINC001602946787 1287168479 /nfs/dbraw/zinc/16/84/79/1287168479.db2.gz BMKIGTCPBLGGIU-UHFFFAOYSA-N -1 1 370.329 0.490 20 5 FCBDMM COCCc1noc(CN(C)c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC001605123425 1287888911 /nfs/dbraw/zinc/88/89/11/1287888911.db2.gz RTGSAZZBFSFQPU-UHFFFAOYSA-N -1 1 360.334 0.983 20 5 FCBDMM COCCc1noc(CN(C)c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC001605123425 1287888917 /nfs/dbraw/zinc/88/89/17/1287888917.db2.gz RTGSAZZBFSFQPU-UHFFFAOYSA-N -1 1 360.334 0.983 20 5 FCBDMM COCCn1nnc2c1CCN(c1cccc(-c3nnn[n-]3)c1[N+](=O)[O-])C2 ZINC001605125380 1287890559 /nfs/dbraw/zinc/89/05/59/1287890559.db2.gz IVUSVXSICXCVNS-UHFFFAOYSA-N -1 1 371.361 0.576 20 5 FCBDMM COCCn1nnc2c1CCN(c1cccc(-c3nn[n-]n3)c1[N+](=O)[O-])C2 ZINC001605125380 1287890567 /nfs/dbraw/zinc/89/05/67/1287890567.db2.gz IVUSVXSICXCVNS-UHFFFAOYSA-N -1 1 371.361 0.576 20 5 FCBDMM CS(=O)(=O)C[C@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001605353378 1287933136 /nfs/dbraw/zinc/93/31/36/1287933136.db2.gz DFANTZAQMWCLNY-SSDOTTSWSA-N -1 1 374.404 0.086 20 5 FCBDMM CS(=O)(=O)C[C@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001605353378 1287933149 /nfs/dbraw/zinc/93/31/49/1287933149.db2.gz DFANTZAQMWCLNY-SSDOTTSWSA-N -1 1 374.404 0.086 20 5 FCBDMM CS[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC001605379917 1287946255 /nfs/dbraw/zinc/94/62/55/1287946255.db2.gz DZBKYDOFJVZFNN-ZKCHVHJHSA-N -1 1 370.416 0.947 20 5 FCBDMM CCOc1ccc(NC(=O)CN[C@@H]2CCO[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC001605695518 1288052906 /nfs/dbraw/zinc/05/29/06/1288052906.db2.gz SQZXCCKCDZWAKJ-RISCZKNCSA-N -1 1 353.331 0.764 20 5 FCBDMM Nc1cc(N2CCC(N3CCCC3=O)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606451124 1288323426 /nfs/dbraw/zinc/32/34/26/1288323426.db2.gz LUADBSRMDYMGOU-UHFFFAOYSA-N -1 1 372.389 0.948 20 5 FCBDMM Nc1cc(N2CCC(N3CCCC3=O)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606451124 1288323435 /nfs/dbraw/zinc/32/34/35/1288323435.db2.gz LUADBSRMDYMGOU-UHFFFAOYSA-N -1 1 372.389 0.948 20 5 FCBDMM O=C(CCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])N1CCOCC1 ZINC001606524533 1288362399 /nfs/dbraw/zinc/36/23/99/1288362399.db2.gz WUQISUVTQIOSOF-UHFFFAOYSA-N -1 1 353.364 0.497 20 5 FCBDMM O=C(CCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])N1CCOCC1 ZINC001606524533 1288362403 /nfs/dbraw/zinc/36/24/03/1288362403.db2.gz WUQISUVTQIOSOF-UHFFFAOYSA-N -1 1 353.364 0.497 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CCN(c3cccnc3-c3nnn[n-]3)CC2)cn1 ZINC001607081433 1288651963 /nfs/dbraw/zinc/65/19/63/1288651963.db2.gz CLRKIQRWHMPEKD-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CCN(c3cccnc3-c3nn[n-]n3)CC2)cn1 ZINC001607081433 1288651967 /nfs/dbraw/zinc/65/19/67/1288651967.db2.gz CLRKIQRWHMPEKD-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1ccc2[nH]c(CCCNc3ccnc(-c4nn[n-]n4)n3)nc2c1 ZINC001607083922 1288652587 /nfs/dbraw/zinc/65/25/87/1288652587.db2.gz SOUYLJPRENTEQY-UHFFFAOYSA-N -1 1 366.345 0.908 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(CCO)CC2)c1-c1nn[n-]n1 ZINC001607085566 1288653368 /nfs/dbraw/zinc/65/33/68/1288653368.db2.gz WHHSNBCVDYYNNI-UHFFFAOYSA-N -1 1 368.375 0.216 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)c1-c1nn[n-]n1 ZINC001607085321 1288653491 /nfs/dbraw/zinc/65/34/91/1288653491.db2.gz OBRMLUFFELXGQS-QXFUBDJGSA-N -1 1 366.359 0.373 20 5 FCBDMM C[C@H](C(=O)OCc1csc([N+](=O)[O-])c1)n1cnc(-c2nn[n-]n2)n1 ZINC001609072254 1288903619 /nfs/dbraw/zinc/90/36/19/1288903619.db2.gz IYERWXQVXHBMLT-ZCFIWIBFSA-N -1 1 350.320 0.732 20 5 FCBDMM C[C@@H]1C[C@@H](N2CCOCC2)CN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609156202 1288955360 /nfs/dbraw/zinc/95/53/60/1288955360.db2.gz DIJVWPWOFAKZOR-GHMZBOCLSA-N -1 1 360.378 0.469 20 5 FCBDMM C[C@@H]1C[C@@H](N2CCOCC2)CN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609156202 1288955367 /nfs/dbraw/zinc/95/53/67/1288955367.db2.gz DIJVWPWOFAKZOR-GHMZBOCLSA-N -1 1 360.378 0.469 20 5 FCBDMM C[C@H]1C[C@@H](N2CCOCC2)CN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609156205 1288955440 /nfs/dbraw/zinc/95/54/40/1288955440.db2.gz DIJVWPWOFAKZOR-WDEREUQCSA-N -1 1 360.378 0.469 20 5 FCBDMM C[C@H]1C[C@@H](N2CCOCC2)CN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609156205 1288955447 /nfs/dbraw/zinc/95/54/47/1288955447.db2.gz DIJVWPWOFAKZOR-WDEREUQCSA-N -1 1 360.378 0.469 20 5 FCBDMM CC[C@@H](CNS(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609190693 1288978541 /nfs/dbraw/zinc/97/85/41/1288978541.db2.gz SMCBPKHMCHZBMZ-QMMMGPOBSA-N -1 1 355.380 0.515 20 5 FCBDMM C[N@H+](CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CC(=O)[O-] ZINC001610118232 1289381527 /nfs/dbraw/zinc/38/15/27/1289381527.db2.gz CKDUOVKXWLGTPT-UHFFFAOYSA-N -1 1 369.758 0.682 20 5 FCBDMM C[N@@H+](CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CC(=O)[O-] ZINC001610118232 1289381536 /nfs/dbraw/zinc/38/15/36/1289381536.db2.gz CKDUOVKXWLGTPT-UHFFFAOYSA-N -1 1 369.758 0.682 20 5 FCBDMM CN1CC=C(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1 ZINC001610135425 1289391324 /nfs/dbraw/zinc/39/13/24/1289391324.db2.gz XQUJABNIGRLNJQ-UHFFFAOYSA-N -1 1 355.372 0.833 20 5 FCBDMM COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000749296926 836354781 /nfs/dbraw/zinc/35/47/81/836354781.db2.gz RFYGGSUJVOQOCI-ZDUSSCGKSA-N -1 1 364.351 0.980 20 5 FCBDMM O=C1OCC[C@H]1N1CCC([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC001309317273 866779558 /nfs/dbraw/zinc/77/95/58/866779558.db2.gz YICNVYKMJUWNDC-LLVKDONJSA-N -1 1 370.387 0.048 20 5 FCBDMM Cc1cc(CO)cc(C)c1C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001309875094 866945734 /nfs/dbraw/zinc/94/57/34/866945734.db2.gz FALWOINQWRQHQF-UHFFFAOYSA-N -1 1 354.388 0.916 20 5 FCBDMM CCCNC(=O)C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821113905 945638307 /nfs/dbraw/zinc/63/83/07/945638307.db2.gz HSNSBAFPZXEYNE-UHFFFAOYSA-N -1 1 360.378 0.913 20 5 FCBDMM CCCNC(=O)C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821113905 945638310 /nfs/dbraw/zinc/63/83/10/945638310.db2.gz HSNSBAFPZXEYNE-UHFFFAOYSA-N -1 1 360.378 0.913 20 5 FCBDMM C[C@H](C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F)n1cnc(-c2nn[n-]n2)n1 ZINC001573647160 947883916 /nfs/dbraw/zinc/88/39/16/947883916.db2.gz DJUFXXBWFADIRF-SSDOTTSWSA-N -1 1 373.308 0.656 20 5 FCBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)n1 ZINC000826358000 948113652 /nfs/dbraw/zinc/11/36/52/948113652.db2.gz ZOESZDYSKVXPLQ-UHFFFAOYSA-N -1 1 358.274 0.489 20 5 FCBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)n1 ZINC000826358000 948113657 /nfs/dbraw/zinc/11/36/57/948113657.db2.gz ZOESZDYSKVXPLQ-UHFFFAOYSA-N -1 1 358.274 0.489 20 5 FCBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)n1 ZINC001605501056 973666834 /nfs/dbraw/zinc/66/68/34/973666834.db2.gz CAFCAUFCKXUGNO-CQSZACIVSA-N -1 1 368.371 0.649 20 5 FCBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001592406122 977980742 /nfs/dbraw/zinc/98/07/42/977980742.db2.gz MLPVAZQSHGNVOG-NHYWBVRUSA-N -1 1 351.359 0.636 20 5 FCBDMM COc1ccc(NC(=O)CN[C@]2(CC(=O)[O-])CCOC2)c([N+](=O)[O-])c1 ZINC001599592760 993708994 /nfs/dbraw/zinc/70/89/94/993708994.db2.gz PSROSGBTKSEOCW-HNNXBMFYSA-N -1 1 353.331 0.765 20 5 FCBDMM C[C@@H](NC(=O)c1ccc(NCCN2CC[C@H](O)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171042 994028554 /nfs/dbraw/zinc/02/85/54/994028554.db2.gz RBHDMHHIKVZJGQ-PWSUYJOCSA-N -1 1 366.374 0.276 20 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363.367 0.679 20 5 FCBDMM CN(c1cnn(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826010312 607644019 /nfs/dbraw/zinc/64/40/19/607644019.db2.gz IICCRBBAXDXMLA-UHFFFAOYSA-N -1 1 364.347 0.334 20 5 FCBDMM C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)[C@H]1CCOC1 ZINC000824641064 607648146 /nfs/dbraw/zinc/64/81/46/607648146.db2.gz RVJIBULTOPJLRT-BDAKNGLRSA-N -1 1 368.375 0.478 20 5 FCBDMM C[C@@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCCO1 ZINC000824823924 607668662 /nfs/dbraw/zinc/66/86/62/607668662.db2.gz QRUYXGVNCMSKAA-ZDUSSCGKSA-N -1 1 368.375 0.622 20 5 FCBDMM COC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1CC1 ZINC000826152185 607679929 /nfs/dbraw/zinc/67/99/29/607679929.db2.gz SKKLVOFJVPIKDF-VIFPVBQESA-N -1 1 368.375 0.478 20 5 FCBDMM CN(C)C(=O)CCN1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000833687822 605193373 /nfs/dbraw/zinc/19/33/73/605193373.db2.gz WGKLDVZEWSJJBV-UHFFFAOYSA-N -1 1 350.375 0.893 20 5 FCBDMM O=C1NCCN1[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000823547831 606703941 /nfs/dbraw/zinc/70/39/41/606703941.db2.gz PLIYDBQKVDDMHE-VIFPVBQESA-N -1 1 359.350 0.164 20 5 FCBDMM O=C1NCCN1[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000823547831 606703944 /nfs/dbraw/zinc/70/39/44/606703944.db2.gz PLIYDBQKVDDMHE-VIFPVBQESA-N -1 1 359.350 0.164 20 5 FCBDMM CCCNC(=O)[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821114369 606704428 /nfs/dbraw/zinc/70/44/28/606704428.db2.gz PPMMFUNPHCYSAT-SNVBAGLBSA-N -1 1 360.378 0.913 20 5 FCBDMM CCCNC(=O)[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821114369 606704430 /nfs/dbraw/zinc/70/44/30/606704430.db2.gz PPMMFUNPHCYSAT-SNVBAGLBSA-N -1 1 360.378 0.913 20 5 FCBDMM Cn1ccnc1CN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000822698685 606708538 /nfs/dbraw/zinc/70/85/38/606708538.db2.gz BBDSLHQRJRABTM-UHFFFAOYSA-N -1 1 370.377 0.226 20 5 FCBDMM Cn1ccnc1CN1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000822698685 606708540 /nfs/dbraw/zinc/70/85/40/606708540.db2.gz BBDSLHQRJRABTM-UHFFFAOYSA-N -1 1 370.377 0.226 20 5 FCBDMM CCOC(=O)C1(O)CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821320084 606712229 /nfs/dbraw/zinc/71/22/29/606712229.db2.gz JRPZDKOVCWYEER-UHFFFAOYSA-N -1 1 363.334 0.064 20 5 FCBDMM CCOC(=O)C1(O)CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821320084 606712230 /nfs/dbraw/zinc/71/22/30/606712230.db2.gz JRPZDKOVCWYEER-UHFFFAOYSA-N -1 1 363.334 0.064 20 5 FCBDMM C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@@H](C)CO1 ZINC000820769036 606730467 /nfs/dbraw/zinc/73/04/67/606730467.db2.gz QTJXCDUMQCSPTN-IUCAKERBSA-N -1 1 368.375 0.573 20 5 FCBDMM C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCS1 ZINC000820767547 606734234 /nfs/dbraw/zinc/73/42/34/606734234.db2.gz IQUXYCSGTIEFII-QMMMGPOBSA-N -1 1 370.416 0.901 20 5 FCBDMM Cc1nc(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000822450017 607164784 /nfs/dbraw/zinc/16/47/84/607164784.db2.gz ZCIBYXAPAIBYJH-UHFFFAOYSA-N -1 1 358.366 0.853 20 5 FCBDMM Cc1nc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000822450017 607164785 /nfs/dbraw/zinc/16/47/85/607164785.db2.gz ZCIBYXAPAIBYJH-UHFFFAOYSA-N -1 1 358.366 0.853 20 5 FCBDMM CC(C)(C)C(=O)N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000819891951 607166554 /nfs/dbraw/zinc/16/65/54/607166554.db2.gz NELQMWROLWHFOH-UHFFFAOYSA-N -1 1 360.378 0.865 20 5 FCBDMM CC(C)(C)C(=O)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000819891951 607166555 /nfs/dbraw/zinc/16/65/55/607166555.db2.gz NELQMWROLWHFOH-UHFFFAOYSA-N -1 1 360.378 0.865 20 5 FCBDMM CC(C)(C)NS(=O)(=O)CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000819923403 607166566 /nfs/dbraw/zinc/16/65/66/607166566.db2.gz ZSNFPOIBWRNWTB-UHFFFAOYSA-N -1 1 370.395 0.300 20 5 FCBDMM CC(C)(C)NS(=O)(=O)CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000819923403 607166567 /nfs/dbraw/zinc/16/65/67/607166567.db2.gz ZSNFPOIBWRNWTB-UHFFFAOYSA-N -1 1 370.395 0.300 20 5 FCBDMM CC[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc([N+](=O)[O-])c1 ZINC000820913675 607221526 /nfs/dbraw/zinc/22/15/26/607221526.db2.gz IXRGITMNQLJGQK-NSHDSACASA-N -1 1 357.334 0.634 20 5 FCBDMM O=C(CN1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1)NC1CC1 ZINC000826411299 607839365 /nfs/dbraw/zinc/83/93/65/607839365.db2.gz SREVPFXXGHGMCP-UHFFFAOYSA-N -1 1 372.389 0.176 20 5 FCBDMM O=C(CN1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1)NC1CC1 ZINC000826411299 607839366 /nfs/dbraw/zinc/83/93/66/607839366.db2.gz SREVPFXXGHGMCP-UHFFFAOYSA-N -1 1 372.389 0.176 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CCO[C@@H](Cn3cccn3)C2)cc1-c1nnn[n-]1 ZINC000826498822 607842326 /nfs/dbraw/zinc/84/23/26/607842326.db2.gz LFJQBZLDVKPWCT-GFCCVEGCSA-N -1 1 356.346 0.877 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CCO[C@@H](Cn3cccn3)C2)cc1-c1nn[n-]n1 ZINC000826498822 607842327 /nfs/dbraw/zinc/84/23/27/607842327.db2.gz LFJQBZLDVKPWCT-GFCCVEGCSA-N -1 1 356.346 0.877 20 5 FCBDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826425181 608180906 /nfs/dbraw/zinc/18/09/06/608180906.db2.gz SLUMOVIVJJLNBX-UHFFFAOYSA-N -1 1 369.345 0.558 20 5 FCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](C)CC2(C)OCCO2)c([N+](=O)[O-])n1 ZINC000754804978 667611579 /nfs/dbraw/zinc/61/15/79/667611579.db2.gz JNATVSTXXSXXKH-JTQLQIEISA-N -1 1 362.408 0.879 20 5 FCBDMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCn2c(C)ncc2[N+](=O)[O-])o1 ZINC000761068336 667875189 /nfs/dbraw/zinc/87/51/89/667875189.db2.gz OPJFUEDWLBZDTJ-UHFFFAOYSA-N -1 1 358.332 0.458 20 5 FCBDMM O=C(Cn1cc([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1)NCCO ZINC000742424461 668035341 /nfs/dbraw/zinc/03/53/41/668035341.db2.gz FJNPYQYTTCVCQZ-UHFFFAOYSA-N -1 1 350.291 0.552 20 5 FCBDMM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)OCCC[N-]C(=O)C(F)(F)F ZINC000774979778 668189274 /nfs/dbraw/zinc/18/92/74/668189274.db2.gz LPIXNLNQVIJUQA-UHFFFAOYSA-N -1 1 351.237 0.368 20 5 FCBDMM CCCNC(=O)CN(C)C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076089 668454958 /nfs/dbraw/zinc/45/49/58/668454958.db2.gz RHUSZUMXFWFTBH-UHFFFAOYSA-N -1 1 353.331 0.442 20 5 FCBDMM CN1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1=O ZINC000815008104 669895118 /nfs/dbraw/zinc/89/51/18/669895118.db2.gz NXSKTPLWEHXEJJ-LURJTMIESA-N -1 1 351.743 0.896 20 5 FCBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000832314703 669899468 /nfs/dbraw/zinc/89/94/68/669899468.db2.gz UUEGUUPNBCLPPO-PHIMTYICSA-N -1 1 359.379 0.875 20 5 FCBDMM O=C([N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1)[C@@H]1CC1[N+](=O)[O-] ZINC000842328538 670668947 /nfs/dbraw/zinc/66/89/47/670668947.db2.gz FWAKYXGLOBLXFV-HTQZYQBOSA-N -1 1 369.277 0.493 20 5 FCBDMM CC(C)(C)OC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC000851512867 671447531 /nfs/dbraw/zinc/44/75/31/671447531.db2.gz YPTNFAHSTPKFAI-HTRCEHHLSA-N -1 1 361.332 0.100 20 5 FCBDMM CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000821005431 1203197801 /nfs/dbraw/zinc/19/78/01/1203197801.db2.gz CPNUCRHFTLUBOV-JTQLQIEISA-N -1 1 370.362 0.653 20 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Cc1nc(C(N)=O)c(O[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)c(=O)[n-]1 ZINC001234479135 1259561083 /nfs/dbraw/zinc/56/10/83/1259561083.db2.gz WJHHODVWLFVUEH-LLVKDONJSA-N -1 1 362.298 0.715 20 5 FCBDMM CC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CCOCC1 ZINC001575849809 1272525526 /nfs/dbraw/zinc/52/55/26/1272525526.db2.gz XSWDQJVDMRBALY-UHFFFAOYSA-N -1 1 368.375 0.622 20 5 FCBDMM CC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CCOCC1 ZINC001575849809 1272525533 /nfs/dbraw/zinc/52/55/33/1272525533.db2.gz XSWDQJVDMRBALY-UHFFFAOYSA-N -1 1 368.375 0.622 20 5 FCBDMM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC12CC(C(=O)[O-])C2 ZINC001603365929 1287361964 /nfs/dbraw/zinc/36/19/64/1287361964.db2.gz PLVDJPLIUQVWSP-KYRSXWMPSA-N -1 1 368.386 0.933 20 5 FCBDMM C[C@H](CCCCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001603472059 1287382774 /nfs/dbraw/zinc/38/27/74/1287382774.db2.gz LQODSAMCWJICSW-SECBINFHSA-N -1 1 370.391 0.604 20 5 FCBDMM C[C@H](CCCCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001603472059 1287382778 /nfs/dbraw/zinc/38/27/78/1287382778.db2.gz LQODSAMCWJICSW-SECBINFHSA-N -1 1 370.391 0.604 20 5 FCBDMM CC(C)n1nccc1NC(=O)[C@@H](C)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001589020235 1282773061 /nfs/dbraw/zinc/77/30/61/1282773061.db2.gz FQOYZFGFZDCXAD-MRVPVSSYSA-N -1 1 360.338 0.949 20 5 FCBDMM CC(C)[C@@](C)(O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001589427756 1282879029 /nfs/dbraw/zinc/87/90/29/1282879029.db2.gz BMKDUGHFNBCGHS-ZDUSSCGKSA-N -1 1 370.391 0.460 20 5 FCBDMM CC(C)[C@@](C)(O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001589427756 1282879043 /nfs/dbraw/zinc/87/90/43/1282879043.db2.gz BMKDUGHFNBCGHS-ZDUSSCGKSA-N -1 1 370.391 0.460 20 5 FCBDMM CC(C)CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001589634647 1282924024 /nfs/dbraw/zinc/92/40/24/1282924024.db2.gz ITTYSCFHMJOYPO-UHFFFAOYSA-N -1 1 371.357 0.862 20 5 FCBDMM C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1(CO)CC1 ZINC001589975984 1283151979 /nfs/dbraw/zinc/15/19/79/1283151979.db2.gz GQUXESNGTNCICN-QMMMGPOBSA-N -1 1 368.375 0.214 20 5 FCBDMM C[C@H](O)c1cn(C2CN(c3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)nn1 ZINC001590002333 1283171193 /nfs/dbraw/zinc/17/11/93/1283171193.db2.gz AMXHPCHMJGRHGR-QMMMGPOBSA-N -1 1 357.334 0.481 20 5 FCBDMM C[C@H](O)c1cn(C2CN(c3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)nn1 ZINC001590002333 1283171197 /nfs/dbraw/zinc/17/11/97/1283171197.db2.gz AMXHPCHMJGRHGR-QMMMGPOBSA-N -1 1 357.334 0.481 20 5 FCBDMM C[C@@H](O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001590003336 1283171676 /nfs/dbraw/zinc/17/16/76/1283171676.db2.gz MTQCHAHKFVTVAL-RKDXNWHRSA-N -1 1 368.375 0.309 20 5 FCBDMM CC1(C)[C@H](O)C[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590077800 1283205733 /nfs/dbraw/zinc/20/57/33/1283205733.db2.gz PJWGMHIJIQTMLW-GHMZBOCLSA-N -1 1 368.375 0.213 20 5 FCBDMM CC1(C)[C@H](O)C[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590077800 1283205742 /nfs/dbraw/zinc/20/57/42/1283205742.db2.gz PJWGMHIJIQTMLW-GHMZBOCLSA-N -1 1 368.375 0.213 20 5 FCBDMM C[C@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CO1 ZINC001590206787 1283327394 /nfs/dbraw/zinc/32/73/94/1283327394.db2.gz LBEKSJRFJPRKMV-YUMQZZPRSA-N -1 1 354.348 0.231 20 5 FCBDMM C[C@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CO1 ZINC001590206787 1283327407 /nfs/dbraw/zinc/32/74/07/1283327407.db2.gz LBEKSJRFJPRKMV-YUMQZZPRSA-N -1 1 354.348 0.231 20 5 FCBDMM C[C@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CS1 ZINC001590207650 1283330425 /nfs/dbraw/zinc/33/04/25/1283330425.db2.gz SXRRNOBFQWHEPS-JGVFFNPUSA-N -1 1 370.416 0.947 20 5 FCBDMM C[C@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CS1 ZINC001590207650 1283330433 /nfs/dbraw/zinc/33/04/33/1283330433.db2.gz SXRRNOBFQWHEPS-JGVFFNPUSA-N -1 1 370.416 0.947 20 5 FCBDMM C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CCC1=O ZINC001590308767 1283453181 /nfs/dbraw/zinc/45/31/81/1283453181.db2.gz IVHKKFXZUCSAGL-QMMMGPOBSA-N -1 1 366.359 0.375 20 5 FCBDMM C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CCC1=O ZINC001590308767 1283453184 /nfs/dbraw/zinc/45/31/84/1283453184.db2.gz IVHKKFXZUCSAGL-QMMMGPOBSA-N -1 1 366.359 0.375 20 5 FCBDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC001590318039 1283463119 /nfs/dbraw/zinc/46/31/19/1283463119.db2.gz ICTZYMRCSDBQQS-SECBINFHSA-N -1 1 369.349 0.070 20 5 FCBDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC001590318039 1283463125 /nfs/dbraw/zinc/46/31/25/1283463125.db2.gz ICTZYMRCSDBQQS-SECBINFHSA-N -1 1 369.349 0.070 20 5 FCBDMM C[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC001590318294 1283463475 /nfs/dbraw/zinc/46/34/75/1283463475.db2.gz RVVJRXMMLQZINX-JTQLQIEISA-N -1 1 361.362 0.944 20 5 FCBDMM C[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC001590318294 1283463480 /nfs/dbraw/zinc/46/34/80/1283463480.db2.gz RVVJRXMMLQZINX-JTQLQIEISA-N -1 1 361.362 0.944 20 5 FCBDMM CC[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)OC ZINC001590446041 1283541295 /nfs/dbraw/zinc/54/12/95/1283541295.db2.gz DCXZBBIIHGWHML-QMMMGPOBSA-N -1 1 356.364 0.478 20 5 FCBDMM CN(C)C(=O)N(C)[C@@H]1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001591003456 1284065402 /nfs/dbraw/zinc/06/54/02/1284065402.db2.gz RPTWSDULCPMCIW-SNVBAGLBSA-N -1 1 360.378 0.967 20 5 FCBDMM CN(C)C(=O)N(C)[C@@H]1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001591003456 1284065409 /nfs/dbraw/zinc/06/54/09/1284065409.db2.gz RPTWSDULCPMCIW-SNVBAGLBSA-N -1 1 360.378 0.967 20 5 FCBDMM CN(C[C@H]1CCOC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591063474 1284124441 /nfs/dbraw/zinc/12/44/41/1284124441.db2.gz ZEIDVPYXJZPRSB-SECBINFHSA-N -1 1 368.375 0.432 20 5 FCBDMM CN(C[C@H]1CCOC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591063474 1284124443 /nfs/dbraw/zinc/12/44/43/1284124443.db2.gz ZEIDVPYXJZPRSB-SECBINFHSA-N -1 1 368.375 0.432 20 5 FCBDMM CN(CCCCCO)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591066005 1284127749 /nfs/dbraw/zinc/12/77/49/1284127749.db2.gz HKWZXXXLYWIARA-UHFFFAOYSA-N -1 1 370.391 0.558 20 5 FCBDMM CN(CCCCCO)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591066005 1284127753 /nfs/dbraw/zinc/12/77/53/1284127753.db2.gz HKWZXXXLYWIARA-UHFFFAOYSA-N -1 1 370.391 0.558 20 5 FCBDMM CN(Cc1cn[nH]c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591150844 1284220610 /nfs/dbraw/zinc/22/06/10/1284220610.db2.gz LFEJSMOXLZRMOC-UHFFFAOYSA-N -1 1 364.347 0.319 20 5 FCBDMM CN(Cc1cn[nH]c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591150844 1284220618 /nfs/dbraw/zinc/22/06/18/1284220618.db2.gz LFEJSMOXLZRMOC-UHFFFAOYSA-N -1 1 364.347 0.319 20 5 FCBDMM CN(Cc1ncc[nH]1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591152620 1284223792 /nfs/dbraw/zinc/22/37/92/1284223792.db2.gz CKRLSSDDFADKDK-UHFFFAOYSA-N -1 1 364.347 0.319 20 5 FCBDMM CN(Cc1ncc[nH]1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591152620 1284223801 /nfs/dbraw/zinc/22/38/01/1284223801.db2.gz CKRLSSDDFADKDK-UHFFFAOYSA-N -1 1 364.347 0.319 20 5 FCBDMM CNS(=O)(=O)C1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001591219602 1284360339 /nfs/dbraw/zinc/36/03/39/1284360339.db2.gz NQIRLMRVQSOLCO-UHFFFAOYSA-N -1 1 373.420 0.354 20 5 FCBDMM CNS(=O)(=O)C1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001591219602 1284360352 /nfs/dbraw/zinc/36/03/52/1284360352.db2.gz NQIRLMRVQSOLCO-UHFFFAOYSA-N -1 1 373.420 0.354 20 5 FCBDMM COc1ccc(Cn2c(=O)c(-c3nn[n-]n3)c(C)n(C)c2=O)cc1[N+](=O)[O-] ZINC001591604857 1284765157 /nfs/dbraw/zinc/76/51/57/1284765157.db2.gz KZRIABZMSWMTKI-UHFFFAOYSA-N -1 1 373.329 0.001 20 5 FCBDMM CS(=O)(=O)C1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001591673609 1284807367 /nfs/dbraw/zinc/80/73/67/1284807367.db2.gz YIHRUYCSJQLGTP-UHFFFAOYSA-N -1 1 358.405 0.850 20 5 FCBDMM CS(=O)(=O)C1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001591673609 1284807381 /nfs/dbraw/zinc/80/73/81/1284807381.db2.gz YIHRUYCSJQLGTP-UHFFFAOYSA-N -1 1 358.405 0.850 20 5 FCBDMM CS(=O)(=O)NC1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001591678814 1284819670 /nfs/dbraw/zinc/81/96/70/1284819670.db2.gz XTFOJHKOGPTKHS-UHFFFAOYSA-N -1 1 373.420 0.354 20 5 FCBDMM CS(=O)(=O)NC1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001591678814 1284819680 /nfs/dbraw/zinc/81/96/80/1284819680.db2.gz XTFOJHKOGPTKHS-UHFFFAOYSA-N -1 1 373.420 0.354 20 5 FCBDMM Cc1c(Oc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cccc1[N+](=O)[O-] ZINC001591831571 1284935730 /nfs/dbraw/zinc/93/57/30/1284935730.db2.gz YWWTUKSXAXYJOT-UHFFFAOYSA-N -1 1 359.302 0.273 20 5 FCBDMM Cc1nsc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)c1-c1nnn[n-]1 ZINC001592483287 1285418950 /nfs/dbraw/zinc/41/89/50/1285418950.db2.gz HMFLHAHOLFVNBI-UHFFFAOYSA-N -1 1 364.351 0.558 20 5 FCBDMM Cc1nsc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)c1-c1nn[n-]n1 ZINC001592483287 1285418957 /nfs/dbraw/zinc/41/89/57/1285418957.db2.gz HMFLHAHOLFVNBI-UHFFFAOYSA-N -1 1 364.351 0.558 20 5 FCBDMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O ZINC001609258111 1289022825 /nfs/dbraw/zinc/02/28/25/1289022825.db2.gz RQXDDQCAFBESHC-UHFFFAOYSA-N -1 1 373.329 0.175 20 5 FCBDMM O=C(Cn1ccc(-c2nn[n-]n2)cc1=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001592937036 1285825908 /nfs/dbraw/zinc/82/59/08/1285825908.db2.gz HEUDQCKESAJNQM-UHFFFAOYSA-N -1 1 359.277 0.714 20 5 FCBDMM O=C1NCCN1C1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001593407842 1286130290 /nfs/dbraw/zinc/13/02/90/1286130290.db2.gz QOZKFFLLHVUIOF-UHFFFAOYSA-N -1 1 358.362 0.769 20 5 FCBDMM O=C1NCCN1C1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001593407842 1286130294 /nfs/dbraw/zinc/13/02/94/1286130294.db2.gz QOZKFFLLHVUIOF-UHFFFAOYSA-N -1 1 358.362 0.769 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCN(c2cnccn2)CC1 ZINC001593466557 1286170305 /nfs/dbraw/zinc/17/03/05/1286170305.db2.gz SAODTTVKTAIEKF-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCN(c2cnccn2)CC1 ZINC001593466557 1286170308 /nfs/dbraw/zinc/17/03/08/1286170308.db2.gz SAODTTVKTAIEKF-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC2CC(CCO)C2)c1-c1nn[n-]n1 ZINC001593483802 1286174160 /nfs/dbraw/zinc/17/41/60/1286174160.db2.gz JZHREKIMGJOERA-UHFFFAOYSA-N -1 1 368.375 0.214 20 5 FCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCN(c2cnccn2)CC1 ZINC001593487771 1286175605 /nfs/dbraw/zinc/17/56/05/1286175605.db2.gz LTAKMKOOEPYXHH-UHFFFAOYSA-N -1 1 359.375 0.953 20 5 FCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCN(c2cnccn2)CC1 ZINC001593487771 1286175610 /nfs/dbraw/zinc/17/56/10/1286175610.db2.gz LTAKMKOOEPYXHH-UHFFFAOYSA-N -1 1 359.375 0.953 20 5 FCBDMM O=c1c(-c2nn[n-]n2)ccc(C(F)(F)F)n1CCn1cc([N+](=O)[O-])cn1 ZINC001593492819 1286179988 /nfs/dbraw/zinc/17/99/88/1286179988.db2.gz PHFWSGDALMVYSG-UHFFFAOYSA-N -1 1 370.251 0.852 20 5 FCBDMM Cc1c(C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001599976746 1286416989 /nfs/dbraw/zinc/41/69/89/1286416989.db2.gz JSOIVFXFVNFEGW-SNVBAGLBSA-N -1 1 366.330 0.900 20 5 FCBDMM COCCCOCCN(C)c1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609323586 1289094770 /nfs/dbraw/zinc/09/47/70/1289094770.db2.gz KNKKNGIDFMPUQV-UHFFFAOYSA-N -1 1 351.367 0.846 20 5 FCBDMM COCCCOCCN(C)c1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609323586 1289094776 /nfs/dbraw/zinc/09/47/76/1289094776.db2.gz KNKKNGIDFMPUQV-UHFFFAOYSA-N -1 1 351.367 0.846 20 5 FCBDMM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC001601764919 1286830013 /nfs/dbraw/zinc/83/00/13/1286830013.db2.gz NNBBPVMGIFQJSN-ZYHUDNBSSA-N -1 1 360.326 0.893 20 5 FCBDMM O=C([O-])c1cn([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)nn1 ZINC001602494502 1287013055 /nfs/dbraw/zinc/01/30/55/1287013055.db2.gz FQHHDJANPCMBQE-NSHDSACASA-N -1 1 362.346 0.383 20 5 FCBDMM O=C([O-])c1cn([C@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)nn1 ZINC001602494502 1287013065 /nfs/dbraw/zinc/01/30/65/1287013065.db2.gz FQHHDJANPCMBQE-NSHDSACASA-N -1 1 362.346 0.383 20 5 FCBDMM Cc1cc(N2CCN(c3nncn3C)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605699814 1288052843 /nfs/dbraw/zinc/05/28/43/1288052843.db2.gz HSLULPHDMOZHIR-UHFFFAOYSA-N -1 1 370.377 0.538 20 5 FCBDMM Cc1cc(N2CCN(c3nncn3C)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605699814 1288052850 /nfs/dbraw/zinc/05/28/50/1288052850.db2.gz HSLULPHDMOZHIR-UHFFFAOYSA-N -1 1 370.377 0.538 20 5 FCBDMM NC(=O)[C@@H](Cc1ccc(Cl)cc1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001606402463 1288289059 /nfs/dbraw/zinc/28/90/59/1288289059.db2.gz UYGRVSCBLGCZIY-SECBINFHSA-N -1 1 362.737 0.894 20 5 FCBDMM O=C(NC1CC1)[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001606653707 1288425176 /nfs/dbraw/zinc/42/51/76/1288425176.db2.gz PXYVEDPSKGASTJ-VIFPVBQESA-N -1 1 358.362 0.665 20 5 FCBDMM O=C(NC1CC1)[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001606653707 1288425177 /nfs/dbraw/zinc/42/51/77/1288425177.db2.gz PXYVEDPSKGASTJ-VIFPVBQESA-N -1 1 358.362 0.665 20 5 FCBDMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001606844561 1288537744 /nfs/dbraw/zinc/53/77/44/1288537744.db2.gz SKAFCJJZFXDKKQ-UHFFFAOYSA-N -1 1 355.727 0.538 20 5 FCBDMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001606844561 1288537749 /nfs/dbraw/zinc/53/77/49/1288537749.db2.gz SKAFCJJZFXDKKQ-UHFFFAOYSA-N -1 1 355.727 0.538 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccns2)c1-c1nn[n-]n1 ZINC001607085062 1288651767 /nfs/dbraw/zinc/65/17/67/1288651767.db2.gz HMJLBULXVONMTL-UHFFFAOYSA-N -1 1 367.372 0.710 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC3(COC3)C2)c1-c1nn[n-]n1 ZINC001607084704 1288652719 /nfs/dbraw/zinc/65/27/19/1288652719.db2.gz ULZAIWQXPULKNJ-UHFFFAOYSA-N -1 1 366.359 0.186 20 5 FCBDMM COc1cc(CNCCn2cc(C(=O)[O-])nn2)c([N+](=O)[O-])cc1OC ZINC001607163954 1288675776 /nfs/dbraw/zinc/67/57/76/1288675776.db2.gz 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/nfs/dbraw/zinc/08/68/50/1281086850.db2.gz PDNYKRPLIOXQEI-UHFFFAOYSA-N -1 1 355.314 0.865 20 5 FCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@](CO)(C(F)(F)F)C1 ZINC001582801945 1282028020 /nfs/dbraw/zinc/02/80/20/1282028020.db2.gz HHSGERQPTQHDTI-NSHDSACASA-N -1 1 359.268 0.921 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@](CO)(C(F)(F)F)C1 ZINC001582801945 1282028028 /nfs/dbraw/zinc/02/80/28/1282028028.db2.gz HHSGERQPTQHDTI-NSHDSACASA-N -1 1 359.268 0.921 20 5 FCBDMM C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588963047 1282745636 /nfs/dbraw/zinc/74/56/36/1282745636.db2.gz UFAWACCFIZWIJY-VIFPVBQESA-N -1 1 369.345 0.512 20 5 FCBDMM C[C@@](NC(=O)C1CN([C@H]2CCOC2)C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604270065 1287596136 /nfs/dbraw/zinc/59/61/36/1287596136.db2.gz YDHPBURLCABNIE-YOEHRIQHSA-N -1 1 363.370 0.732 20 5 FCBDMM C[C@@]1(O)CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C1 ZINC001590150698 1283247032 /nfs/dbraw/zinc/24/70/32/1283247032.db2.gz MEAAJYHDBNAALH-CYBMUJFWSA-N -1 1 368.375 0.310 20 5 FCBDMM C[C@@]1(O)CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)C1 ZINC001590150698 1283247038 /nfs/dbraw/zinc/24/70/38/1283247038.db2.gz MEAAJYHDBNAALH-CYBMUJFWSA-N -1 1 368.375 0.310 20 5 FCBDMM C[C@@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CO1 ZINC001590207630 1283329523 /nfs/dbraw/zinc/32/95/23/1283329523.db2.gz SUARLTAXBWVKHG-SFYZADRCSA-N -1 1 354.348 0.231 20 5 FCBDMM C[C@H]1SCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590334887 1283481107 /nfs/dbraw/zinc/48/11/07/1283481107.db2.gz CPJKVGABQIWNLP-XCBNKYQSSA-N -1 1 370.416 0.947 20 5 FCBDMM C[C@H]1SCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590334887 1283481112 /nfs/dbraw/zinc/48/11/12/1283481112.db2.gz CPJKVGABQIWNLP-XCBNKYQSSA-N -1 1 370.416 0.947 20 5 FCBDMM CC[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C[C@@H]1O ZINC001590525416 1283587963 /nfs/dbraw/zinc/58/79/63/1283587963.db2.gz YBOJSRQLCWDEPM-KWQFWETISA-N -1 1 368.375 0.166 20 5 FCBDMM CC[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)C[C@@H]1O ZINC001590525416 1283587970 /nfs/dbraw/zinc/58/79/70/1283587970.db2.gz YBOJSRQLCWDEPM-KWQFWETISA-N -1 1 368.375 0.166 20 5 FCBDMM CCCc1n[nH]c(C(=O)NCc2nc(-c3nnn[n-]3)cs2)c1[N+](=O)[O-] ZINC001590655058 1283706949 /nfs/dbraw/zinc/70/69/49/1283706949.db2.gz NWMSRPFVPAPMEB-UHFFFAOYSA-N -1 1 363.363 0.837 20 5 FCBDMM CCCc1n[nH]c(C(=O)NCc2nc(-c3nn[n-]n3)cs2)c1[N+](=O)[O-] ZINC001590655058 1283706958 /nfs/dbraw/zinc/70/69/58/1283706958.db2.gz NWMSRPFVPAPMEB-UHFFFAOYSA-N -1 1 363.363 0.837 20 5 FCBDMM CN(C)c1cc(F)c(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591028753 1284088727 /nfs/dbraw/zinc/08/87/27/1284088727.db2.gz JDEPUOABQBNGRK-UHFFFAOYSA-N -1 1 361.297 0.955 20 5 FCBDMM COC(=O)[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001591232571 1284375172 /nfs/dbraw/zinc/37/51/72/1284375172.db2.gz LJIGZCJDLQLJJK-PSASIEDQSA-N -1 1 363.334 0.408 20 5 FCBDMM COC(=O)[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001591232571 1284375180 /nfs/dbraw/zinc/37/51/80/1284375180.db2.gz LJIGZCJDLQLJJK-PSASIEDQSA-N -1 1 363.334 0.408 20 5 FCBDMM COC[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C1 ZINC001591394403 1284533872 /nfs/dbraw/zinc/53/38/72/1284533872.db2.gz RGFPBDVSNZAFCK-VIFPVBQESA-N -1 1 368.375 0.432 20 5 FCBDMM COC[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)C1 ZINC001591394403 1284533885 /nfs/dbraw/zinc/53/38/85/1284533885.db2.gz RGFPBDVSNZAFCK-VIFPVBQESA-N -1 1 368.375 0.432 20 5 FCBDMM Cc1cc(NC[C@]2(OCCO)CCOC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592043098 1285083614 /nfs/dbraw/zinc/08/36/14/1285083614.db2.gz ZQBBZZOTQVTGDH-OAHLLOKOSA-N -1 1 364.362 0.663 20 5 FCBDMM Cc1cc(NC[C@]2(OCCO)CCOC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592043098 1285083626 /nfs/dbraw/zinc/08/36/26/1285083626.db2.gz ZQBBZZOTQVTGDH-OAHLLOKOSA-N -1 1 364.362 0.663 20 5 FCBDMM Cc1ccn(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c(=O)c1-c1nn[n-]n1 ZINC001592265437 1285207613 /nfs/dbraw/zinc/20/76/13/1285207613.db2.gz YWGZAFRRXJBWCP-UHFFFAOYSA-N -1 1 369.341 0.908 20 5 FCBDMM NC(=O)[C@H](F)C1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001592716549 1285605781 /nfs/dbraw/zinc/60/57/81/1285605781.db2.gz VLPSBSGMLWYZAL-SECBINFHSA-N -1 1 355.355 0.876 20 5 FCBDMM NC(=O)[C@H](F)C1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001592716549 1285605794 /nfs/dbraw/zinc/60/57/94/1285605794.db2.gz VLPSBSGMLWYZAL-SECBINFHSA-N -1 1 355.355 0.876 20 5 FCBDMM NC(=O)C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC001592724037 1285629515 /nfs/dbraw/zinc/62/95/15/1285629515.db2.gz AXGOPTVFLNAXSE-LBPRGKRZSA-N -1 1 361.362 0.857 20 5 FCBDMM Nc1cc(N2CC[C@@H](CN3CCOC3=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759475 1285681660 /nfs/dbraw/zinc/68/16/60/1285681660.db2.gz CDQFUOZYKHVJJG-SECBINFHSA-N -1 1 374.361 0.636 20 5 FCBDMM Nc1cc(N2CC[C@@H](CN3CCOC3=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759475 1285681668 /nfs/dbraw/zinc/68/16/68/1285681668.db2.gz CDQFUOZYKHVJJG-SECBINFHSA-N -1 1 374.361 0.636 20 5 FCBDMM Nc1cc(N2CC[C@](O)(C(F)(F)F)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760246 1285682140 /nfs/dbraw/zinc/68/21/40/1285682140.db2.gz ULLZQZMRYJWTRS-LLVKDONJSA-N -1 1 359.268 0.861 20 5 FCBDMM Nc1cc(N2CC[C@](O)(C(F)(F)F)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760246 1285682152 /nfs/dbraw/zinc/68/21/52/1285682152.db2.gz ULLZQZMRYJWTRS-LLVKDONJSA-N -1 1 359.268 0.861 20 5 FCBDMM Nc1n[nH]c(C2CCN(c3cc(-c4nnn[n-]4)sc3[N+](=O)[O-])CC2)n1 ZINC001592764147 1285684368 /nfs/dbraw/zinc/68/43/68/1285684368.db2.gz IRTABNKBNZRKNM-UHFFFAOYSA-N -1 1 362.379 0.921 20 5 FCBDMM Nc1n[nH]c(C2CCN(c3cc(-c4nn[n-]n4)sc3[N+](=O)[O-])CC2)n1 ZINC001592764147 1285684374 /nfs/dbraw/zinc/68/43/74/1285684374.db2.gz IRTABNKBNZRKNM-UHFFFAOYSA-N -1 1 362.379 0.921 20 5 FCBDMM O=C(NC1CC1)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001592968178 1285851855 /nfs/dbraw/zinc/85/18/55/1285851855.db2.gz YNCIRQBOHSFTPR-SNVBAGLBSA-N -1 1 358.362 0.815 20 5 FCBDMM O=C(NC1CC1)[C@H](c1ccc(F)cc1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001592967481 1285851918 /nfs/dbraw/zinc/85/19/18/1285851918.db2.gz OOSHAVYPMULKRX-ZDUSSCGKSA-N -1 1 372.320 0.979 20 5 FCBDMM O=C1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCN1CC(F)(F)F ZINC001593399829 1286119270 /nfs/dbraw/zinc/11/92/70/1286119270.db2.gz YNCMSAVNMKFTCS-UHFFFAOYSA-N -1 1 371.279 0.986 20 5 FCBDMM O=C1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCN1CC(F)(F)F ZINC001593399829 1286119276 /nfs/dbraw/zinc/11/92/76/1286119276.db2.gz YNCMSAVNMKFTCS-UHFFFAOYSA-N -1 1 371.279 0.986 20 5 FCBDMM O=C1c2ccccc2C(=O)N1CCn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001593414481 1286137766 /nfs/dbraw/zinc/13/77/66/1286137766.db2.gz PSARBHKJWPYIJX-UHFFFAOYSA-N -1 1 354.286 0.268 20 5 FCBDMM O=[N+]([O-])c1c(N[C@H]2C[C@H](O)C2)cc(N[C@H]2C[C@H](O)C2)cc1-c1nnn[n-]1 ZINC001593469604 1286172856 /nfs/dbraw/zinc/17/28/56/1286172856.db2.gz XVQYXOYYCDAKSR-PLFHLEMCSA-N -1 1 361.362 0.645 20 5 FCBDMM O=[N+]([O-])c1c(N[C@H]2C[C@H](O)C2)cc(N[C@H]2C[C@H](O)C2)cc1-c1nn[n-]n1 ZINC001593469604 1286172860 /nfs/dbraw/zinc/17/28/60/1286172860.db2.gz XVQYXOYYCDAKSR-PLFHLEMCSA-N -1 1 361.362 0.645 20 5 FCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCN(Cc2cn[nH]c2)CC1 ZINC001593467135 1286173063 /nfs/dbraw/zinc/17/30/63/1286173063.db2.gz TYAVEDVNFMECHQ-UHFFFAOYSA-N -1 1 355.362 0.820 20 5 FCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CC[C@H](O)C2)c1-c1nn[n-]n1 ZINC001593485550 1286174295 /nfs/dbraw/zinc/17/42/95/1286174295.db2.gz RBJHUHBEDUHRHE-IUCAKERBSA-N -1 1 368.375 0.214 20 5 FCBDMM O=[N+]([O-])c1ccccc1OC[C@@H](O)COc1cccnc1-c1nnn[n-]1 ZINC001593487487 1286176004 /nfs/dbraw/zinc/17/60/04/1286176004.db2.gz YWKSMENNSOENCQ-SNVBAGLBSA-N -1 1 358.314 0.989 20 5 FCBDMM O=[N+]([O-])c1ccccc1OC[C@@H](O)COc1cccnc1-c1nn[n-]n1 ZINC001593487487 1286176008 /nfs/dbraw/zinc/17/60/08/1286176008.db2.gz YWKSMENNSOENCQ-SNVBAGLBSA-N -1 1 358.314 0.989 20 5 FCBDMM Cc1c(NC(=O)C(=O)N2CCCN(C)CC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600025017 1286427215 /nfs/dbraw/zinc/42/72/15/1286427215.db2.gz CAUQKJDWLUFSKX-UHFFFAOYSA-N -1 1 364.358 0.704 20 5 FCBDMM Cc1cc(N2CCN(C(=O)CN(C)C)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600240172 1286457812 /nfs/dbraw/zinc/45/78/12/1286457812.db2.gz DRLYGGNZAYKIHD-UHFFFAOYSA-N -1 1 350.375 0.812 20 5 FCBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCc2ccc(C(=O)[O-])cc2)n1 ZINC001600970996 1286585791 /nfs/dbraw/zinc/58/57/91/1286585791.db2.gz VHADZLDUYTTXFW-UHFFFAOYSA-N -1 1 354.344 0.548 20 5 FCBDMM COCCn1nnc2c1CCN(c1ccc([N+](=O)[O-])c(-c3nnn[n-]3)c1)C2 ZINC001609330426 1289102163 /nfs/dbraw/zinc/10/21/63/1289102163.db2.gz KFFVOARFCSGBRN-UHFFFAOYSA-N -1 1 371.361 0.576 20 5 FCBDMM COCCn1nnc2c1CCN(c1ccc([N+](=O)[O-])c(-c3nn[n-]n3)c1)C2 ZINC001609330426 1289102167 /nfs/dbraw/zinc/10/21/67/1289102167.db2.gz KFFVOARFCSGBRN-UHFFFAOYSA-N -1 1 371.361 0.576 20 5 FCBDMM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC001601764910 1286829232 /nfs/dbraw/zinc/82/92/32/1286829232.db2.gz NNBBPVMGIFQJSN-CMPLNLGQSA-N -1 1 360.326 0.893 20 5 FCBDMM O=C([O-])[C@@H]1[C@H](CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1(F)F ZINC001602206031 1286968120 /nfs/dbraw/zinc/96/81/20/1286968120.db2.gz BSAKPURORXWGMF-XNCJUZBTSA-N -1 1 354.262 0.978 20 5 FCBDMM C[C@@H](C(=O)OCCOc1ccccc1[N+](=O)[O-])n1cnc(-c2nn[n-]n2)n1 ZINC001603036525 1287194823 /nfs/dbraw/zinc/19/48/23/1287194823.db2.gz FKWQRPBKJQJBLM-VIFPVBQESA-N -1 1 374.317 0.550 20 5 FCBDMM C[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)n1cnc(-c2nn[n-]n2)n1 ZINC001603036014 1287195043 /nfs/dbraw/zinc/19/50/43/1287195043.db2.gz AUAVMZOGPYLRQI-ZETCQYMHSA-N -1 1 362.281 0.810 20 5 FCBDMM O=C(CNc1ccccc1[N+](=O)[O-])NCc1nc(-c2nnn[n-]2)cs1 ZINC001606560204 1288385515 /nfs/dbraw/zinc/38/55/15/1288385515.db2.gz XBUHEVRTBNZMKH-UHFFFAOYSA-N -1 1 360.359 0.960 20 5 FCBDMM O=C(CNc1ccccc1[N+](=O)[O-])NCc1nc(-c2nn[n-]n2)cs1 ZINC001606560204 1288385522 /nfs/dbraw/zinc/38/55/22/1288385522.db2.gz XBUHEVRTBNZMKH-UHFFFAOYSA-N -1 1 360.359 0.960 20 5 FCBDMM O=C(NC1CC1)[C@@H](c1ccccc1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001606648203 1288423600 /nfs/dbraw/zinc/42/36/00/1288423600.db2.gz NPJNOYRSWUEMHA-CYBMUJFWSA-N -1 1 354.330 0.839 20 5 FCBDMM O=C1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CC1 ZINC001607044260 1288612595 /nfs/dbraw/zinc/61/25/95/1288612595.db2.gz PDEWWALONXDUTO-UHFFFAOYSA-N -1 1 366.359 0.565 20 5 FCBDMM O=C1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CC1 ZINC001607044260 1288612597 /nfs/dbraw/zinc/61/25/97/1288612597.db2.gz PDEWWALONXDUTO-UHFFFAOYSA-N -1 1 366.359 0.565 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CCN(Cc3nc(-c4nnn[n-]4)cs3)CC2)cn1 ZINC001607082947 1288652744 /nfs/dbraw/zinc/65/27/44/1288652744.db2.gz XVCZMFXNAWLIDA-UHFFFAOYSA-N -1 1 373.402 0.949 20 5 FCBDMM O=[N+]([O-])c1ccc(N2CCN(Cc3nc(-c4nn[n-]n4)cs3)CC2)cn1 ZINC001607082947 1288652749 /nfs/dbraw/zinc/65/27/49/1288652749.db2.gz XVCZMFXNAWLIDA-UHFFFAOYSA-N -1 1 373.402 0.949 20 5 FCBDMM O=[N+]([O-])c1cccnc1N1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001607085696 1288654309 /nfs/dbraw/zinc/65/43/09/1288654309.db2.gz YLLNDDQDAAAREQ-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM O=[N+]([O-])c1cccnc1N1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001607085696 1288654312 /nfs/dbraw/zinc/65/43/12/1288654312.db2.gz YLLNDDQDAAAREQ-UHFFFAOYSA-N -1 1 353.346 0.892 20 5 FCBDMM C[C@@H](N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(C)(C)O ZINC001609117125 1288928399 /nfs/dbraw/zinc/92/83/99/1288928399.db2.gz JVSNRSBGGWNCTH-MRVPVSSYSA-N -1 1 370.391 0.555 20 5 FCBDMM Nc1cc(NCCC(=O)N2CCOCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609510950 1289190541 /nfs/dbraw/zinc/19/05/41/1289190541.db2.gz PPJFARJVQUKJCF-UHFFFAOYSA-N -1 1 362.350 0.018 20 5 FCBDMM Nc1cc(NCCC(=O)N2CCOCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609510950 1289190545 /nfs/dbraw/zinc/19/05/45/1289190545.db2.gz PPJFARJVQUKJCF-UHFFFAOYSA-N -1 1 362.350 0.018 20 5 FCBDMM O=c1c(-c2nn[n-]n2)cccn1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001609604208 1289259885 /nfs/dbraw/zinc/25/98/85/1289259885.db2.gz YYIIXXLGRREPLA-UHFFFAOYSA-N -1 1 371.361 0.428 20 5 FCBDMM