BPNUQXPIQBZCMR-LJQANCHMSA-N Cc1c2cc(ccc2n[nH]1)c1cc(cnc1)OC[C@@H](Cc1ccccc1)N 23647015 1 NB2011_DRx 27 1 1 0 100% 1 WJEOLQLKVOPQFV-UHFFFAOYSA-N Cc1c(cc(cc1)NC(=O)c1ccc(cc1)CN1CCN(CC1)C)Nc1nc(cs1)c1cnccc1 10074640 2 NB2011_DRx;NB2011_RBC 10001;97.85245708 0;0 0 2 100% 0 MPVGZUGXCQEXTM-UHFFFAOYSA-N Fc1c(NC(=O)Nc2ccc(c3c4c([nH]nc4N)ccc3)cc2)cc(cc1)C 11485656 2 NB2011_DRx;NB2011_Metz 10001;5.1 0;0 0 2 100% 0 CVWXJKQAOSCOAB-UHFFFAOYSA-N CC(C)(C)c1cc(no1)NC(=O)Nc1ccc(cc1)c1cn2c3c(cc(cc3)OCCN3CCOCC3)sc2n1 24889392 1 NB2011_DRx 10001 0 0 1 100% 0 RITAVMQDGBJQJZ-UHFFFAOYSA-N CNC(=O)c1ccccc1Sc1cc2c(cc1)c(n[nH]2)C=Cc1ccccn1 3086685 2 NB2011_DRx;NB2011_Metz 10001;5.1 0;0 0 2 100% 0 RAHBGWKEPAQNFF-UHFFFAOYSA-N O=C(Nc1cc2NCC(c2cc1)(C)C)c1c(NCc2ccncc2)nccc1 11667893 1 NB2011_DRx 10001 0 0 1 100% 0 ODPGGGTTYSGTGO-UHFFFAOYSA-N FC(F)(F)c1c(CN2CCN(CC2)CC)ccc(NC(=O)Nc2ccc(Oc3ncnc(NC)c3)cc2)c1 11409972 2 NB2011_DRx;NB2011_Metz 10001;0 0;0 0 2 100% 0 OVPNQJVDAFNBDN-UHFFFAOYSA-N C1CNCCC1NC(=O)c1c(cn[nH]1)NC(=O)c1c(cccc1Cl)Cl 11338033 1 NB2011_DRx 10001 0 0 1 100% 0 QYZOGCMHVIGURT-UHFFFAOYSA-N Fc1cc(NC(=O)Cc2[nH]nc(Nc3ncnc4c3ccc(OCCCN(CCO)CC)c4)c2)ccc1 16007391 2 NB2011_DRx;NB2011_Metz 10001;5.1 0;0 0 2 100% 0 XXJWYDDUDKYVKI-UHFFFAOYSA-N Cc1cc2c([nH]1)ccc(c2F)Oc1ncnc2cc(c(cc12)OC)OCCCN1CCCC1 9933475 2 NB2011_DRx;NB2011_Metz 10001;5.1 0;0 0 2 100% 0 CYOHGALHFOKKQC-UHFFFAOYSA-N Cn1cnc2c1cc(c(c2F)Nc1c(cc(cc1)Br)Cl)C(=O)NOCCO 10127622 1 NB2011_DRx 10001 0 0 1 100% 0 XQVVPGYIWAGRNI-QFIPXVFZSA-N CC[C@H]1C(=O)N(c2cnc(nc2N1C1CCCC1)Nc1c(cc(cc1)C(=O)NC1CCN(CC1)C)OC)C 86295201 1 NB2011_DRx 10001 0 0 1 100% 0 FCLPVPNWFDOVKL-DQSJHHFOSA-N c1ccc2c(c1)/C(=C(/Nc1ccc(cc1)N(C(=O)CN1CCN(CC1)C)C)\c1ccccc1)/C(=O)N2 - 1 NB2011_DRx 10001 0 0 1 100% 0 ULXXDDBFHOBEHA-INIZCTEOSA-N CN(C)CC=CC(=O)Nc1c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)O[C@H]1CCOC1 57519523 1 NB2011_DRx 10001 0 0 1 100% 0 MVCOAUNKQVWQHZ-UHFFFAOYSA-N C(=O)(Nc1c2c(c(cc1)OCCN1CCOCC1)cccc2)Nc1cc(nn1c1ccc(cc1)C)C(C)(C)C 156422 2 NB2011_DRx;NB2011_Metz 10001;5.1 0;0 0 2 100% 0 PSPFQEBFYXJZEV-UHFFFAOYSA-N Cc1cc2c(cc1)nc(c1ncc(n21)C)NCCN 9813758 2 NB2011_DRx;NB2011_Metz 10001;0 0;0 0 2 100% 0 OUSFTKFNBAZUKL-UHFFFAOYSA-N s1c(NC(=O)C2CCNCC2)ncc1SCc1oc(C(C)(C)C)cn1 3025986 2 NB2011_DRx;NB2011_Metz 10001;0 0;0 0 2 100% 0 WCWUXEGQKLTGDX-NSHDSACASA-N Cc1cc2c([nH]1)ccc(c2F)Oc1ncnn2c1c(c(c2)OC[C@H](C)O)C 11703421 1 NB2011_DRx 10001 0 0 1 100% 0 UIARLYUEJFELEN-FMLDBKJISA-N C[C@]12[C@@](C[C@H](O1)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c13)CNC4=O)(CO)O 14096317 1 NB2011_DRx 240 1 1 0 100% 1 KCOYQXZDFIIGCY-CZIZESTLSA-N Fc1c2=C(N)/C(=c/3\[nH]c4cc(N5CCN(CC5)C)ccc4[nH]3)/C(=O)N=c2ccc1 - 1 NB2011_DRx 10001 0 0 1 100% 0 YABJJWZLRMPFSI-UHFFFAOYSA-N FC(F)(F)c1ccc(Nc2n(c3c(n2)cc(Oc2cc(ncc2)c2[nH]c(cn2)C(F)(F)F)cc3)C)cc1 11656518 1 NB2011_DRx 10001 0 0 1 100% 0 OMZCMEYTWSXEPZ-UHFFFAOYSA-N Clc1cc(Nc2ncnc3c2cc(NC(=O)C=C)c(OCCCN2CCOCC2)c3)ccc1F 156414 1 NB2011_DRx 10001 0 0 1 100% 0 GFMMXOIFOQCCGU-UHFFFAOYSA-N C1CC1CONC(=O)c1c(c(c(cc1)F)F)Nc1c(cc(cc1)I)Cl 6918454 1 NB2011_DRx 10001 0 0 1 100% 0 UJLAWZDWDVHWOW-DGCLKSJQSA-N O=C(N1C[C@@H](N(c2ncnc3[nH]ccc23)C)[C@@H](CC1)C)CC#N 9966538 1 NB2011_DRx 2000 1 1 0 100% 1 KTEIFNKAUNYNJU-GFCCVEGCSA-N C[C@H](c1c(ccc(c1Cl)F)Cl)Oc1c(ncc(c1)c1cn(nc1)C1CCNCC1)N 11626560 Crizotinib 1 NB2011_DRx 10001 0 0 1 100% 0 ZBNZXTGUTAYRHI-UHFFFAOYSA-N c1c(C(=O)Nc2c(cccc2Cl)C)sc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)n1 3062316 Dasatinib 3 NB2011_DRx;NB2011_RBC;NB2011_Metz 10001;99.56801766;5.1 0;0;0 0 3 100% 0 AAKJLRGGTJKAMG-UHFFFAOYSA-N C#Cc1cc(Nc2c3cc(OCCOC)c(OCCOC)cc3ncn2)ccc1 176870 Erlotinib 3 NB2011_DRx;NB2011_RBC;NB2011_Metz 10001;104.1717435;5.1 0;0;0 0 3 100% 0 CXQHYVUVSFXTMY-UHFFFAOYSA-N COc1cc2c(ccnc2cc1OCCCN1CCOCC1)Oc1c(cc(cc1)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F)F 42642645 1 NB2011_DRx 10001 0 0 1 100% 0 BIIVYFLTOXDAOV-YVEFUNNKSA-N CN1CC[C@@H]([C@@H](C1)O)c1c2oc(cc(=O)c2c(O)cc1O)c1c(Cl)cccc1 5287969 1 NB2011_DRx 590 1 1 0 100% 1 DEZZLWQELQORIU-UHFFFAOYSA-N C1CC(=NO)c2c1cc(cc2)c1cn(nc1c1ccncc1)CCO 57519545 1 NB2011_DRx 10001 0 0 1 100% 0 LHNIIDJUOCFXAP-UHFFFAOYSA-N CS(=O)(=O)N1CCN(CC1)Cc1cc2c(s1)c(nc(n2)c1c2cn[nH]c2ccc1)N1CCOCC1 17755052 2 NB2011_DRx;NB2011_Metz 10001;0 0;0 0 2 100% 0 XGALLCVXEZPNRQ-UHFFFAOYSA-N C1COCCN1CCCOc1c(cc2c(c1)/c(=N/c1cc(Cl)c(F)cc1)/nc[nH]2)OC 123631 Gefitinib 2 NB2011_DRx;NB2011_RBC 10001;106.0038989 0;0 0 2 100% 0 XWFUWIOJOVXAMS-FXIRQEPWSA-N CNC(=O)c1c(cccc1F)NC1=NC(=N[C@H]2[C@@H]1C=CN2)Nc1cc2c(cc1OC)CCN2C(=O)CN(C)C - 1 NB2011_DRx 10001 0 0 1 100% 0 ZHJGWYRLJUCMRT-QGZVFWFLSA-N C1N(CCN(C1)C)Cc1cc2c(cc1)ncn2c1cc(c(s1)C(=O)N)O[C@H](C)c1c(cccc1)C(F)(F)F 15983966 1 NB2011_DRx 3000 1 1 0 100% 1 KGPGFQWBCSZGEL-ZDUSSCGKSA-N CCn1c2c(c(ncc2OC[C@H]2CCCNC2)C#CC(C)(C)O)nc1c1nonc1N 16725726 1 NB2011_DRx 54 1 1 0 100% 1 MYQAUKPBNJWPIE-UHFFFAOYSA-N O(c1c(OC)cc(Cc2c(nc(nc2)N)N)cc1)Cc1ccc(OC)cc1 11617559 4 NB2011_DRx;NB2011_RBC;NB2011_Metz;BC2013_Millipore 10001;87.82137388;0;98 0;0;0;0 0 4 100% 0 JWNPDZNEKVCWMY-UHFFFAOYSA-N CCOc1c(cc2c(c1)ncc(c2Nc1cc(c(cc1)OCc1ccccn1)Cl)C#N)NC(=O)C=CCN(C)C 53398697 1 NB2011_DRx 10001 0 0 1 100% 0 KTUFNOKKBVMGRW-UHFFFAOYSA-N c1cc(cnc1)c1ccnc(n1)Nc1c(ccc(c1)NC(=O)c1ccc(cc1)CN1CCN(C)CC1)C 5291 Imatinib 3 NB2011_DRx;NB2011_RBC;NB2011_Metz 10001;104.8915204;5.1 0;0;0 0 3 100% 0 HFNKQEVNSGCOJV-OAHLLOKOSA-N C1CCC(C1)[C@@H](CC#N)n1cc(cn1)c1c2cc[nH]c2ncn1 25126798 Ruxolitinib 1 NB2011_DRx 10001 0 0 1 100% 0 OLESUNNHPSUJLS-UHFFFAOYSA-N CC(CC(=O)N1CCC(CC1)c1cc(c(cc1)NC(=O)c1nc(c[nH]1)C#N)C1=CCCCC1)C - 1 NB2011_DRx 10001 0 0 1 100% 0 SHPFDGWALWEPGS-UHFFFAOYSA-N c1c2c(cc(c1OC)OC)nccc2Oc1ccc(c(c1)OC)NC(=O)N[C@@H](c1sccn1)C 9869779 1 NB2011_DRx 10001 0 0 1 100% 0 YYLKKYCXAOBSRM-UHFFFAOYSA-N C1CN(CCN1)C(=O)c1ccc(cc1)C=Cc1n[nH]c2ccccc12 67089852 1 NB2011_DRx 10001 0 0 1 100% 0 BCFGMOOMADDAQU-UHFFFAOYSA-N CS(=O)(=O)CCNCc1ccc(o1)c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 208908 Lapatinib 2 NB2011_DRx;NB2011_RBC 10001;102.6189535 0;0 0 2 100% 0 UUADYKVKJIMIPA-UHFFFAOYSA-N Cn1cc(c2ccccc12)C1=C(C(=O)NC1=O)c1cn(c2ccccc12)C1CCN(CC1)Cc1ccccn1.Cl 176166 1 NB2011_DRx 25 1 1 0 100% 1 ZCBUQCWBWNUWSU-SFHVURJKSA-N C1Cn2cc(c3c2cccc3)C2=C(C(=O)NC2=O)c2cn(c3c2cccc3)CCO[C@@H]1CN(C)C 153999 1 NB2011_DRx 3.6 1 1 0 100% 1 ZNOLRTPMNMPLHY-UHFFFAOYSA-N Cc1c(cccn1)C(=O)Nc1c2c(cc(c1OC)Cl)c1c([nH]2)cncc1 9929127 1 NB2011_DRx 10001 0 0 1 100% 0 UXXQOJXBIDBUAC-UHFFFAOYSA-N O(CCCN1CCCCC1)c1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(OC(C)C)cc3)c2cc1OC 3038522 3 NB2011_DRx;NB2011_RBC;NB2011_Metz 10001;101.2410576;5.1 0;0;0 0 3 100% 0 HHFBDROWDBDFBR-UHFFFAOYSA-N Clc1cc2c(c3nc(ncc3CN=C2c2c(F)cccc2F)Nc2ccc(cc2)C(=O)O)cc1 11712649 2 NB2011_DRx;NB2011_Metz 10001;5.1 0;0 0 2 100% 0 HHZIURLSWUIHRB-UHFFFAOYSA-N Cc1c(cc(cc1)C(=O)Nc1cc(cc(c1)n1cc(nc1)C)C(F)(F)F)Nc1nccc(n1)c1cnccc1 644241 Nilotinib 2 NB2011_DRx;NB2011_RBC 10001;100.1483168 0;0 0 2 100% 0 CUIHSIWYWATEQL-UHFFFAOYSA-N S(=O)(=O)(N)c1c(ccc(Nc2nc(N(c3cc4nn(c(c4cc3)C)C)C)ccn2)c1)C 10113978 Pazopanib 3 NB2011_DRx;NB2011_RBC;NB2011_Metz 10001;105.7314394;0 0;0;0 0 3 100% 0 VAARYSWULJUGST-UHFFFAOYSA-N Cn1c2nc(ncc2cc(c1=O)c1c(cccc1Cl)Cl)Nc1cc(ccc1)SC 447077 1 NB2011_DRx 10001 0 0 1 100% 0 OYONTEXKYJZFHA-OAQYLSRUSA-N Cc1c([nH]c(c1C(=O)N1CCC[C@@H]1CN1CCCC1)C)C=C1c2c(ccc(c2)S(=O)(=O)Cc2c(cccc2Cl)Cl)NC1=O 66596670 1 NB2011_DRx 10001 0 0 1 100% 0 TUVCWJQQGGETHL-UHFFFAOYSA-N O1CCN(CC1)c1nc(nc2c1oc1ncccc21)c1cc(O)ccc1 9884685 4 NB2011_DRx;NB2011_RBC;NB2011_Metz;BC2013_Millipore 10001;95.95;5.1;94 0;0;0;0 0 4 100% 0 BMGQWWVMWDBQGC-PZFYLCKJSA-N O1[C@]2(n3c4c5n([C@@H]1C[C@H](N(C)C(=O)c1ccccc1)[C@@H]2OC)c1c(c5c2c(c4c4c3cccc4)CNC2=O)cccc1)C 24202429 2 NB2011_DRx;NB2011_RBC 320;10.925 1;1 2 0 100% 1 YZDJQTHVDDOVHR-UHFFFAOYSA-N CCCS(=O)(=O)Nc1c(c(c(cc1)F)C(=O)c1c[nH]c2ncc(cc12)Cl)F 24180719 1 NB2011_DRx 10001 0 0 1 100% 0 MTICIDWIKCANDD-UHFFFAOYSA-N CC(C)n1c2c(c(=C3C=c4cc(ccc4=N3)O)[nH]1)c(ncn2)N - 1 NB2011_DRx 10001 0 0 1 100% 0 YCOYDOIWSSHVCK-UHFFFAOYSA-N Clc1ccc(Nc2nnc(c3c2cccc3)Cc2ccncc2)cc1 151194 3 NB2011_DRx;NB2011_RBC;NB2011_Metz 10001;97.35397145;5.1 0;0;0 0 3 100% 0 NHHQJBCNYHBUSI-UHFFFAOYSA-N CC1(C(=O)Nc2c(O1)ccc(n2)Nc1nc(ncc1F)Nc1cc(c(c(c1)OC)OC)OC)C 11213558 Tamatinib 2 NB2011_DRx;NB2011_Metz 4100;5.1 0;0 0 2 100% 0 JRNJNYBQQYBCLE-UHFFFAOYSA-N COc1c(c(c(cc1)F)F)C(=O)c1cnc(nc1N)NC1CCN(CC1)S(=O)(=O)C 6918852 1 NB2011_DRx 10001 0 0 1 100% 0 CDMGBJANTYXAIV-HHHXNRCGSA-N O=[S@](C)c1ccc(cc1)c1[nH]c(c2ccncc2)c(n1)c1ccc(cc1)F 40467016 1 NB2011_DRx 10001 0 0 1 100% 0 BCZUAADEACICHN-UHFFFAOYSA-N Cn1cc(cn1)c1nn2c(nnc2Sc2cc3c(cc2)nccc3)cc1 24779724 1 NB2011_DRx 10001 0 0 1 100% 0 UBPYILGKFZZVDX-UHFFFAOYSA-N CN1CCN(CC1)CCCOc1c(cc2c(c1)ncc(c2Nc1cc(c(cc1Cl)Cl)OC)C#N)OC 5328940 Bosutinib 1 NB2011_DRx 1600 1 1 0 100% 1 MLDQJTXFUGDVEO-UHFFFAOYSA-N c1c(ccc(c1C(F)(F)F)Cl)NC(=O)Nc1ccc(cc1)Oc1ccnc(c1)C(=O)NC 216239 Sorafenib 3 NB2011_DRx;NB2011_RBC;NB2011_Metz 10001;104.0446746;5.1 0;0;0 0 3 100% 0 HKSZLNNOFSGOKW-FYTWVXJKSA-N O1[C@@H]2C[C@H]([C@H]([C@@]1(C)n1c3c4c(c5c(c3c3c1cccc3)CNC5=O)c1c(cccc1)n24)OC)NC 44259 1 NB2011_DRx 1.5 1 1 0 100% 1 CTNPALGJUAXMMC-PMFHANACSA-N Fc1cc2/C(=C/c3[nH]c(c(c3C)C(=O)NC[C@H](O)CN3CCOCC3)C)/C(=O)Nc2cc1 10138259 1 NB2011_DRx 10001 0 0 1 100% 0 WINHZLLDWRZWRT-ATVHPVEESA-N Cc1c(c(C)c(/C=C\2/c3cc(ccc3NC2=O)F)[nH]1)C(=O)NCCN(CC)CC 5329102 Sunitinib 2 NB2011_DRx;NB2011_RBC 10001;95.07835231 0;0 0 2 100% 0 QQWUGDVOUVUTOY-UHFFFAOYSA-N CC(C)S(=O)(=O)c1ccccc1Nc1nc(ncc1Cl)Nc1c(cc(cc1)N1CCC(CC1)N1CCN(CC1)C)OC 16038120 2 NB2011_DRx;NB2011_Metz 3500;6.5 0;1 1 1 50% 2 UJIAQDJKSXQLIT-UHFFFAOYSA-N c1cc(cc(c1)O)c1nc2c(nc1c1cc(ccc1)O)nc(nc2N)N 10427712 1 NB2011_DRx 10001 0 0 1 100% 0 JOOXLOJCABQBSG-UHFFFAOYSA-N Cc1cnc(nc1Nc1cc(ccc1)S(=O)(=O)NC(C)(C)C)Nc1ccc(cc1)OCCN1CCCC1 16722836 1 NB2011_DRx 10001 0 0 1 100% 0 UHTHHESEBZOYNR-UHFFFAOYSA-N C1CN(C)CCC1COc1cc2c(cc1OC)/c(=N/c1ccc(Br)cc1F)/nc[nH]2 3081361 Vandetanib 3 NB2011_DRx;NB2011_RBC;NB2011_Metz 10001;102.5120272;0 0;0;0 0 3 100% 0 GCIKSSRWRFVXBI-UHFFFAOYSA-N N1(CCN(CC1)c1cc(nc(n1)Sc1ccc(cc1)NC(=O)C1CC1)Nc1cc(n[nH]1)C)C 5494449 3 NB2011_DRx;NB2011_RBC;NB2011_Metz 10001;97.51010639;5.1 0;0;0 0 3 100% 0 VEPKQEUBKLEPRA-UHFFFAOYSA-N Clc1c(c2c3n(nc(Sc4c(F)cc(F)cc4)cc3)cnc2=O)c(Cl)ccc1 3038525 2 NB2011_DRx;NB2011_Metz 10001;5.1 0;0 0 2 100% 0 XRKYMMUGXMWDAO-UHFFFAOYSA-N C1COCCN1c1cc(=O)cc(o1)c1c2c(ccc1)Sc1ccccc1S2 5278396 2 NB2011_RBC;BC2013_Millipore 91.89893054;100 0;0 0 2 100% 0 HLCDNLNLQNYZTK-NRFANRHFSA-N c1ccc(cc1)C(c1ccccc1)C(=O)N[C@H](C(Cl)(Cl)Cl)NC(=S)Nc1cc(c(cc1)F)[N+](=O)[O-] 92509771 1 NB2011_RBC 91.19893866 0 0 1 100% 0 ABBADGFSRBWENF-UHFFFAOYSA-N CC(C)(C)c1c(c(cc(c1)C=C(C#N)C#N)Br)O 2044 2 NB2011_RBC;BC2013_Millipore 83.0393797;98 0;0 0 2 100% 0 ZGDACLBJJXLKJY-UHFFFAOYSA-N Cc1nc2c(n1C)cc1c(c2)nc(cn1)c1cccs1 9817165 2 NB2011_RBC;BC2013_Millipore 78.55177411;98 0;0 0 2 100% 0 NAYRELMNTQSBIN-UHFFFAOYSA-M CC[n+]1c(n(c2c1cc(cc2)c1nc2ccccc2s1)c1ccccc1)C=CN(C)c1ccccc1.[I-] 5719375 2 NB2011_RBC;BC2013_Millipore 93.27683094;100 0;0 0 2 100% 0 HOGVTUZUJGHKPL-WRNXMPKJSA-N Cn1c2ncnc3c2c(cn3[C@@H]2[C@H]([C@@H]([C@H](O2)CO)O)O)c(n1)N 6713096 1 NB2011_RBC 98.17756053 0 0 1 100% 0 BIWGYFZAEWGBAL-UHFFFAOYSA-N C1CN(CCC1n1c2ccccc2[nH]c1=O)Cc1ccc(cc1)c1nc2cc3c(cc2nc1c1ccccc1)nc[nH]3 - 2 NB2011_RBC;BC2013_Millipore 98.76186837;107 0;0 0 2 100% 0 SVKSJUIYYCQZEC-UHFFFAOYSA-N CCN(CC)CCCCN1c2ccccc2Oc2c1cc(cc2)Cl.Cl 16760284 2 NB2011_RBC;BC2013_Millipore 95.36141545;107 0;0 0 2 100% 0 OLUKILHGKRVDCT-UHFFFAOYSA-N C1c2c(c3ccccc3NC1=O)[nH]c1c2cc(cc1)[N+](=O)[O-] 5005498 3 NB2011_RBC;NB2011_Metz;BC2013_Millipore 79.83185036;5.5;108 0;0;0 0 3 100% 0 UBLFSMURWWWWMH-UHFFFAOYSA-N C1c2c(c3c(ccc(c3)CCC#N)NC1=O)[nH]c1c2cc(cc1)[N+](=O)[O-] 16760286 2 NB2011_RBC;BC2013_Millipore 74.85828842;68 0;0 0 2 100% 0 AYIIQABSVDIZSY-UHFFFAOYSA-N CCCCc1c2c(ncc[nH]2)[nH]c1=C1C=CC(=O)C=C1 - 2 NB2011_RBC;BC2013_Millipore 102.0162694;97 0;0 0 2 100% 0 WVMANZPBOBRWCB-UHFFFAOYSA-N CCCCc1c([nH]c2nccnc12)c1ccc(cc1)OC 3641059 1 NB2011_RBC 92.790692 0 0 1 100% 0 RAMROQQYRRQPDL-OAHLLOKOSA-N CC(C)[C@@H](CO)Nc1nc2c(c(n1)Nc1cc(cc(c1)N)Cl)ncn2C(C)C 6914609 1 NB2011_RBC 87.60749788 0 0 1 100% 0 XHBVYDAKJHETMP-UHFFFAOYSA-N C1CCN(CC1)CCOc1ccc(cc1)c1cn2c(c(cn2)c2ccncc2)nc1 11524144 1 NB2011_RBC 93.93281265 0 0 1 100% 0 RDTDWGQDFJPTPD-UHFFFAOYSA-N C1CC1C(=O)Nc1cccc(c1)Nc1nccc(n1)Nc1cccc(c1)C(F)(F)F 9549303 2 NB2011_RBC;BC2013_Millipore 87.93950063;100 0;0 0 2 100% 0 RWSVQCBZVPWNFM-UHFFFAOYSA-N CC#N.c1cc(c(c(c1)F)C(=O)n1c(nc(n1)Nc1ccc(cc1)S(=O)(=O)N)N)F 16760303 2 NB2011_RBC;BC2013_Millipore 81.22637403;70 0;0 0 2 100% 0 DOEWDSDBFRHVAP-UHFFFAOYSA-N Cc1ccc(cc1)S(=O)(=O)C=CC#N 2301 1 NB2011_RBC 95.57465683 0 0 1 100% 0 WEVYNIUIFUYDGI-UHFFFAOYSA-N c1cc(cc(c1)C(=O)N)c1cc(ncn1)Nc1ccc(cc1)OC(F)(F)F 5311510 2 NB2011_RBC;BC2013_Millipore 83.07322828;103 0;0 0 2 100% 0 QMGUOJYZJKLOLH-UHFFFAOYSA-N CN(C)CCCn1cc(c2ccccc12)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 2396 2 NB2011_RBC;BC2013_Millipore 4.730681847;2 1;1 2 0 100% 1 DQYBRTASHMYDJG-UHFFFAOYSA-N c1ccc2c(c1)c(c[nH]2)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 2399 2 NB2011_RBC;BC2013_Millipore 55.51824788;31 0;1 1 1 50% 2 OPQGFIAVPSXOBO-UHFFFAOYSA-N CC(C)n1cnc2c1nc(nc2NCc1ccccc1)NCCCO 2422 2 NB2011_RBC;BC2013_Millipore 102.2690559;94 0;0 0 2 100% 0 YAMAGACQNDAKFB-UHFFFAOYSA-N Cn1cnc2c1cc1c(c2)c(ncn1)Nc1cc(ccc1)Br 2427 2 NB2011_RBC;BC2013_Millipore 91.84123981;97 0;0 0 2 100% 0 QJKBRWSJWQVKLY-UHFFFAOYSA-N c1ccc2c(c1)C(=Cc1c([nH]c3ccccc13)Cl)C(=O)N2 2607 1 NB2011_RBC 88.42783462 0 0 1 100% 0 UTBSBSOBZHXMHI-GJZGRUSLSA-N CCn1cnc2c1nc(nc2Nc1cc(ccc1)Cl)N[C@H]1CCCC[C@@H]1N 60034150 1 NB2011_RBC 91.23085373 0 0 1 100% 0 ARIOBGGRZJITQX-UHFFFAOYSA-N c1cc(c(c(c1)F)NC(=S)n1c(nc(n1)Nc1ccc(cc1)S(=O)(=O)N)N)F 5330812 1 NB2011_RBC 22.20282557 1 1 0 100% 1 DWHVZCLBMTZRQM-UHFFFAOYSA-N c1cc2nc3c([nH]nc3nc2cc1)N 438981 1 NB2011_RBC 98.27163344 0 0 1 100% 0 DPDZHVCKYBCJHW-UHFFFAOYSA-N C1COc2c(O1)ccc(c2)c1c([nH]c(n1)c1ccc(cc1)C(=O)N)c1ccccn1 6419753 1 NB2011_RBC 106.566067 0 0 1 100% 0 SVJQCVOKYJWUBC-UHFFFAOYSA-N c1c(c(c(c(c1Br)Br)Br)Br)C=CC(=O)O 54326593 1 NB2011_RBC 93.86013057 0 0 1 100% 0 NMFKDDRQSNVETB-UHFFFAOYSA-N c1ccc2c(c1)c1c3c(c4c5c(cc(cc5)Br)[nH]c4c1[nH]2)c(=O)[nH]c3=O 5330797 2 NB2011_RBC;BC2013_Millipore 99.13662181;97 0;0 0 2 100% 0 KFAKESMKRPNZTM-UHFFFAOYSA-N COc1c2c(c(cc1)OC)[nH]c1ccccc1c2=S 3004085 2 NB2011_RBC;BC2013_Millipore 103.0487292;103 0;0 0 2 100% 0 HFPLHASLIOXVGS-UHFFFAOYSA-N Cc1ccc(cc1)NC1=CC(=O)c2c(C1=O)nc(s2)C 481747 2 NB2011_RBC;BC2013_Millipore 103.9903018;103 0;0 0 2 100% 0 BGVLELSCIHASRV-UHFFFAOYSA-N CCn1c2c(ccc(c2)OC)sc1=CC(=O)C 647991 1 NB2011_RBC 88.20571706 0 0 1 100% 0 VQNCIRRXQQTXEL-UHFFFAOYSA-N CC(C)c1c2c(nc(nc2=O)Cc2ccc(cc2)OCCO)n([nH]1)c1c(cccc1Cl)Cl - 1 NB2011_RBC 107.8967117 0 0 1 100% 0 WEEFNMFMNMASJY-UHFFFAOYSA-M C[n+]1c2c(c3ccc(c(c3c1)OC)OC)ccc1cc3c(cc21)OCO3.[Cl-] 72311 2 NB2011_RBC;BC2013_Millipore 96.75353415;104 0;0 0 2 100% 0 UXGJAOIJSROTTN-UHFFFAOYSA-N c1cc(ccc1c1nc2c([nH]1)cc(cc2)C(=O)N)Oc1ccc(cc1)Cl 9969021 2 NB2011_RBC;BC2013_Millipore 101.6593554;104 0;0 0 2 100% 0 XZEFMZCNXDQXOZ-UHFFFAOYSA-N CC(C)n1cnc2c1nc(nc2Nc1cc(ccc1)Cl)NCCO 2856 2 NB2011_RBC;BC2013_Millipore 89.12143352;96 0;0 0 2 100% 0 YXOXHAUUTIOBDA-UHFFFAOYSA-N CCOc1c(cc2c(c1)c(ncn2)Nc1cc(ccc1)Br)OCC 2857 2 NB2011_RBC;BC2013_Millipore 100.4126124;106 0;0 0 2 100% 0 NQVIIUBWMBHLOZ-UHFFFAOYSA-N CC(C)n1cnc2c1nc(nc2NCc1ccc(cc1)OC)N(CCO)CCO 6918386 1 NB2011_RBC 103.0411833 0 0 1 100% 0 XHEQSRJCJTWWAH-UHFFFAOYSA-N CCN(CC)C(=O)c1ccc(cc1)Nc1nc2c(c(n1)OCC1CCCCC1)[nH]cn2 10202471 1 NB2011_RBC 76.73338284 0 0 1 100% 0 KKTZALUTXUZPSN-UHFFFAOYSA-N C1COCCN1c1cc(=O)c2c(o1)c1ccccc1cc2 9860529 2 NB2011_RBC;BC2013_Millipore 95.11677167;100 0;0 0 2 100% 0 YHKSBKQXCWHTQL-UHFFFAOYSA-N CC(=O)c1c(cc(cc1)N1CCOCC1)O 9859309 2 NB2011_RBC;BC2013_Millipore 97.40710011;101 0;0 0 2 100% 0 FALILNHGILFDLC-UHFFFAOYSA-N C1COCCN1c1cc(c(cc1)C(=O)c1ccccc1)O 16760391 2 NB2011_RBC;BC2013_Millipore 98.75619954;103 0;0 0 2 100% 0 ZCNBZFRECRPCKU-UHFFFAOYSA-N C1CN(CCC1=C(c1ccc(cc1)F)c1ccc(cc1)F)CCn1c(=O)c2ccccc2[nH]c1=S 657356 2 NB2011_RBC;BC2013_Millipore 95.65430428;101 0;0 0 2 100% 0 UAKWLVYMKBWHMX-UHFFFAOYSA-N CN(C)c1ccc(cc1)C=C1c2ccccc2NC1=O 3135 1 NB2011_RBC 95.58238032 0 0 1 100% 0 DNOKYISWMVFYFA-UHFFFAOYSA-N COc1c(cc2c(c1)c(ncn2)Nc1ccc(cc1)OCc1ccccc1)OC 9843206 2 NB2011_RBC;BC2013_Millipore 100.5600223;104 0;0 0 2 100% 0 YOHYSYJDKVYCJI-UHFFFAOYSA-N C1CC1C(=O)Nc1cccc(c1)Nc1ncnc(c1)Nc1cccc(c1)C(F)(F)F 9549299 2 NB2011_RBC;BC2013_Millipore 100.6775985;93 0;0 0 2 100% 0 DLPSDPPZXRJQOY-UHFFFAOYSA-N CC#CC(=O)Nc1ncc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl 11566580 2 NB2011_RBC;BC2013_Millipore 99.78648534;94 0;0 0 2 100% 0 XVECMUKVOMUNLE-UHFFFAOYSA-N c1ccc(cc1)c1nn2ccccc2c1c1cc2c([nH]nc2nn1)N 11493598 2 NB2011_RBC;BC2013_Millipore 31.22673086;22 1;1 2 0 100% 1 RODAAYVFYDKHGT-AUWJEWJLSA-N c1cc(cc(c1)[N+](=O)[O-])c1ccc(o1)/C=N\N/C(=N/[N+](=O)[O-])/N 5339183 1 NB2011_RBC 94.21333951 0 0 1 100% 0 PWUOOJVYZQILBG-UHFFFAOYSA-N c1ccc2c(c1)c1c([nH]2)c2[n+](cc1)c1ccccc1C2=O.[Cl-] 73292 2 NB2011_RBC;BC2013_Millipore 89.6340023;101 0;0 0 2 100% 0 FSPQCTGGIANIJZ-UHFFFAOYSA-N COc1c(cc(cc1)C(=O)Nc1c(c2c(s1)CCCC2)C(=O)N)OC 1048845 2 NB2011_RBC;BC2013_Millipore 81.83131907;101 0;0 0 2 100% 0 NIMIWWQLOGNYHD-UHFFFAOYSA-N c1cc2c(cc1O)cc([nH]2)C(=O)c1cc2c([nH]1)ccc(c2)O 11601743 2 NB2011_RBC;BC2013_Millipore 89.74872751;100 0;0 0 2 100% 0 FNZTULJDGIXMJJ-UHFFFAOYSA-N C1CCN(C1)CCOc1ccc(cc1)Nc1ncc(s1)c1ccccc1 11772958 2 NB2011_RBC;BC2013_Millipore 91.25578587;104 0;0 0 2 100% 0 JDSJDASOXWCHPN-UHFFFAOYSA-N n1(c(=O)sn(c1=O)C)Cc1ccccc1 4124851 2 NB2011_RBC;BC2013_Millipore 94.079832;87 0;0 0 2 100% 0 ZRHRPGSSSVYBRG-UHFFFAOYSA-N c1cc(cc(c1)I)CSc1nnc(o1)c1ccncc1 6539732 2 NB2011_RBC;BC2013_Millipore 83.69541195;100 0;0 0 2 100% 0 YAEMHJKFIIIULI-UHFFFAOYSA-N COc1ccc(cc1)CNC(=O)Nc1ncc(s1)[N+](=O)[O-] 448014 2 NB2011_RBC;NB2011_Metz 100.3032281;5.1 0;0 0 2 100% 0 WNWSUJQVZJJGLF-UHFFFAOYSA-N c1cc2=C(C(=C3c4c(cc(cc4)Br)NC3=O)N=c2cc1)NO - 1 NB2011_RBC 102.537185 0 0 1 100% 0 MENDIXKFTXYTHJ-DMDINBDXSA-N c1c2c(ccc1)N/C(=C/1\C(=O)Nc3c1ccc(c3)Br)/C/2=N\OC(=O)C - 1 NB2011_RBC 97.03909108 0 0 1 100% 0 ZDEJZKULWCZIHL-UHFFFAOYSA-N c1cc2c(nc1)n(cc2C1=C(C(=O)NC1=O)c1nccnc1)CCCO 10020713 1 NB2011_RBC 97.01506025 0 0 1 100% 0 VPVLEBIVXZSOMQ-UHFFFAOYSA-N c1(c2c(ncn1)[nH]c(c2)c1cc(ccc1)N)Oc1cc(ccc1)O 9549289 1 NB2011_RBC 95.69878397 0 0 1 100% 0 JYCUVOXSZBECAY-UHFFFAOYSA-N Cc1cc(n[nH]1)Nc1nc(nc2ccccc12)c1ccccc1 6419766 2 NB2011_RBC;BC2013_Millipore 91.31245555;105 0;0 0 2 100% 0 VWVYILCFSYNJHF-UHFFFAOYSA-N Cn1c2ccccc2c2c3c(c4c5ccccc5n(c4c12)CCC#N)CNC3=O 3501 3 NB2011_RBC;NB2011_Metz;BC2013_Millipore 41.92574885;6.7;59 1;1;0 2 1 66.666666666667% 1 LLJJDLHGZUOMQP-UHFFFAOYSA-N CN(C)CCCn1cc(c2c1ccc(c2)OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 3499 2 NB2011_RBC;BC2013_Millipore 1.673333847;3 1;1 2 0 100% 1 DZQLVVLATXPWBK-UHFFFAOYSA-N c1ccc(cc1)c1n[nH]c2c1oc1ccccc21 3385203 2 NB2011_RBC;BC2013_Millipore 96.69387747;101 0;0 0 2 100% 0 WXUJAQBSBZLVEV-UHFFFAOYSA-N c1ccc2c(c1)c1c([nH]2)n2cncc2c2c1c(=O)[nH]c2=O - 2 NB2011_RBC;BC2013_Millipore 64.96951608;79 0;0 0 2 100% 0 GELOGQJVGPIKAM-UHFFFAOYSA-N c1cc2c(ccnc2)c(c1)S(=O)(=O)NCCNCC=Cc1ccc(cc1)Br.Cl.Cl 2733490 1 NB2011_RBC 38.09826653 1 1 0 100% 1 NOXXIYDYFSNHDF-UHFFFAOYSA-N C1CNCCN(C1)S(=O)(=O)c1cccc2c1ccnc2.Cl.Cl 16219471 2 NB2011_RBC;BC2013_Millipore 84.69965946;85 0;0 0 2 100% 0 MCAHMSDENAOJFZ-SCUXEZOQSA-N C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@H]([C@H](C=CC=C(C(=O)NC2=CC(=O)C=C([C@@H]1OC)C2=O)C)OC)OC(=O)N)C)C)OC)OC - 1 NB2011_RBC 96.80566107 0 0 1 100% 0 JBJYTZXCZDNOJW-UHFFFAOYSA-N COc1cc(c(c(c1)OC)C=C1c2ccccc2NC1=O)OC 3674 2 NB2011_RBC;BC2013_Millipore 87.82407225;103 0;0 0 2 100% 0 SAYGKHKXGCPTLX-UHFFFAOYSA-N c1cc(ccc1c1cc(c(s1)NC(=O)N)C(=O)N)F 9903786 2 NB2011_RBC;BC2013_Millipore 76.48110353;78 0;0 0 2 100% 0 RKUMZEVCWKZXFV-YOCZKUTFSA-N c1c2c(ccc1)N/C(=C/1\C(=O)Nc3c1cccc3)/C/2=N/OCC[C@H](CO)O - 1 NB2011_RBC 80.59349926 0 0 1 100% 0 LDEWQRSYYHTQRA-UHFFFAOYSA-N c1ccc2c(c1)c(c([nH]2)C1=c2ccccc2=NC1=O)NO - 1 NB2011_RBC 95.03018866 0 0 1 100% 0 YBLWOZUPHDKFOT-UHFFFAOYSA-N Cc1nc2ccccc2c(c1)NC(=O)Nc1c(ccc(c1)Cl)OC 9549305 2 NB2011_RBC;BC2013_Millipore 96.29717155;102 0;0 0 2 100% 0 QTCFYQHZJIIHBS-UHFFFAOYSA-N C1COCCN1CCn1c2ccccc2nc1NC(=O)c1cc(ccc1)[N+](=O)[O-] 11983295 2 NB2011_RBC;BC2013_Millipore 96.94958324;92 0;0 0 2 100% 0 VNDWQCSOSCCWIP-UHFFFAOYSA-N CC(C)(C)c1nc2c([nH]1)c1c(cc(cc1)F)c1c2cc[nH]c1=O 5494425 3 NB2011_RBC;NB2011_Metz;BC2013_Millipore 43.63933555;0;54 1;0;0 1 2 66.666666666667% 0 CBIAKDAYHRWZCU-UHFFFAOYSA-N COc1c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)O)Br)OC 3795 2 NB2011_RBC;BC2013_Millipore 97.31425397;100 0;0 0 2 100% 0 ACPOUJIDANTYHO-UHFFFAOYSA-N c1ccc2c(c1)c1n[nH]c3cccc(c13)c2=O 8515 2 NB2011_RBC;NB2011_Metz 94.90006056;5.1 0;0 0 2 100% 0 NJTUORMLOPXPBY-UHFFFAOYSA-N CC(C)N(CCC(=O)c1cc2ccccc2cc1)Cc1ccccc1.Cl 176406 2 NB2011_RBC;BC2013_Millipore 94.015;100 0;0 0 2 100% 0 ODZGYELAMAOARP-UHFFFAOYSA-N c1c2c(ccc1)c(=O)c1c3c2nn(c3ccc1)C 11665831 1 NB2011_RBC 92.325 0 0 1 100% 0 ZUDPNBZMAJGYTE-UHFFFAOYSA-N CS(=O)(=O)O.c1cc(cnc1)c1cc2c(cc1)NC(=O)C2=Cc1ccc[nH]1 24906278 1 NB2011_RBC 36.045 1 1 0 100% 1 AVLYNJZZQYEFEA-UHFFFAOYSA-N c1ccc2c(c1)[nH]c(=C(C#N)c1nc(ncc1)NCCc1cnccc1)s2 71433861 1 NB2011_RBC 92.18 0 0 1 100% 0 KQMPRSZTUSSXND-UHFFFAOYSA-N CCOc1c(c(cc(n1)NC(=O)Cc1c(ccc(c1)OC)OC)N)C#N 11624601 3 NB2011_RBC;NB2011_Metz;BC2013_Millipore 96.905;5.1;118 0;0;0 0 3 100% 0 ZXVUBPLDUMSDOE-UHFFFAOYSA-N C1CCc2c(C1)c(c(s2)NC(=O)c1cccc2ccccc12)C#N.O 16760525 1 NB2011_RBC 94.13 0 0 1 100% 0 KOZFSFOOLUUIGY-IYYJOCMQSA-N C[C@]12[C@@](C[C@H](O1)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c13)CNC4=O)(C(=O)OC)O 490561 2 NB2011_RBC;BC2013_Millipore 12.58;18 1;1 2 0 100% 1 QQUXFYAWXPMDOE-UHFFFAOYSA-N C1c2c(c3ccccc3NC1=O)[nH]c1c2cc(cc1)Br 3820 3 NB2011_RBC;NB2011_Metz;BC2013_Millipore 92.74;5.1;99 0;0;0 0 3 100% 0 BLLBARDQJSOSJD-PGUFJCEWSA-N CN([C@H](Cc1ccc(cc1)OOSOc1cccc2c1ccnc2)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2c1ccnc2 - 1 NB2011_RBC 93.015 0 0 1 100% 0 LLLQTDSSHZREGW-UHFFFAOYSA-N CN(CC=Cc1ccc(cc1)Cl)Cc1ccccc1N(CCO)S(=O)(=O)c1ccc(cc1)OC 3837 1 NB2011_RBC 94.3 0 0 1 100% 0 FMETVQKSDIOGPX-UHFFFAOYSA-N C1CCC(C1)n1cc(c2c1ncnc2N)c1ccc(cc1)Oc1ccccc1 6603792 2 NB2011_RBC;BC2013_Millipore 99.63;94 0;0 0 2 100% 0 CZQHHVNHHHRRDU-UHFFFAOYSA-N C1COCCN1c1cc(=O)c2c(o1)c(ccc2)c1ccccc1 3973 3 NB2011_RBC;NB2011_Metz;BC2013_Millipore 95.985;0;114 0;0;0 0 3 100% 0 NGAGMBNBKCDCDJ-UHFFFAOYSA-N C1CN(CCN1)c1cc(=O)c2c(o1)c(ccc2)c1ccccc1 3971 2 NB2011_RBC;BC2013_Millipore 99.595;101 0;0 0 2 100% 0 NHBMKTBZZSJUGA-HKRCYGBASA-N c1(c(cccc1)S/C(=C(/c1cccc(c1)[C@H](c1ccncc1)O)\C#N)/N)N - 1 NB2011_RBC 98.62 0 0 1 100% 0 GYQSWJNGTWVFOL-UHFFFAOYSA-N C1CC(=O)N(C1=O)C1=C(C(=O)c2ccccc2C1=O)Cl 389898 1 NB2011_RBC 97.76 0 0 1 100% 0 JLOXTZFYJNCPIS-UHFFFAOYSA-N c1ccc(c(c1)C(=C(N)Sc1ccc(cc1)N)C#N)C(F)(F)F 24906275 1 NB2011_RBC 97.535 0 0 1 100% 0 FPYJSJDOHRDAMT-UHFFFAOYSA-N Cc1c([nH]c(c1C(=O)N1CCN(CC1)C)C)C=C1c2c(ccc(c2)S(=O)(=O)N(C)c2cc(ccc2)Cl)NC1=O 53396327 1 NB2011_RBC 95.285 0 0 1 100% 0 UQPMANVRZYYQMD-UHFFFAOYSA-N c1cc(ccc1Nc1c2c(ncnc2n[nH]1)N)F 11644425 1 NB2011_RBC 111.69 0 0 1 100% 0 ODYAQBDIXCVKAE-UHFFFAOYSA-N c1ccc(c(c1)c1ccc(cc1)CCCC(=O)Nc1ccc(cc1)O)F 11382492 2 NB2011_RBC;BC2013_Millipore 109.655;110 0;0 0 2 100% 0 IBAKVEUZKHOWNG-UHFFFAOYSA-N c1ccc(cc1)Oc1ccc(cc1)CCNc1ncnc2c1cc(cc2)N 509554 1 NB2011_RBC 97.555 0 0 1 100% 0 VXPWQNBKEIVYIS-OAHLLOKOSA-N C[C@H](c1ccccc1)Nc1nccc(c1)c1c([nH]c(n1)SC)c1ccc(cc1)F 10862355 1 NB2011_RBC 89.11 0 0 1 100% 0 DZFBYHUKZSRPHU-UHFFFAOYSA-N c1cc(ccc1c1c([nH]n(c1=O)c1ccc(cc1)Cl)c1ccncc1)F 4665 2 NB2011_RBC;BC2013_Millipore 92.64;106 0;0 0 2 100% 0 QFWCYNPOPKQOKV-UHFFFAOYSA-N COc1cccc(c1N)c1cc(=O)c2ccccc2o1 4713 2 NB2011_RBC;BC2013_Millipore 105.755;113 0;0 0 2 100% 0 BGIYKDUASORTBB-UHFFFAOYSA-N c1cc(ccc1c1nc(c([nH]1)c1ccncc1)c1ccc(cc1)F)[N+](=O)[O-] 4712 2 NB2011_RBC;BC2013_Millipore 92.715;104 0;0 0 2 100% 0 KFHMLBXBRCITHF-UHFFFAOYSA-N CNc1ncc2c(c1)c(ncn2)Nc1cc(ccc1)Br 4707 2 NB2011_RBC;BC2013_Millipore 94.66;104 0;0 0 2 100% 0 WUPUZEMRHDROEO-UHFFFAOYSA-N CCC(=O)Nc1cc2c(cc1)ncnc2Nc1cc(ccc1)Br 4709 2 NB2011_RBC;BC2013_Millipore 93.815;101 0;0 0 2 100% 0 CZDUJGOCEPWCNA-UHFFFAOYSA-N CCCC(=O)Oc1cc2c(cc1)[nH]c(c2)C(=O)c1cc2ccccc2[nH]1 5330548 2 NB2011_RBC;BC2013_Millipore 88.83;101 0;0 0 2 100% 0 INTPTKHSGKBHHW-UHFFFAOYSA-N COc1c(cc2c(c1)c(ncn2)N1CCN(CC1)C(=O)Nc1ccc(cc1)Oc1ccccc1)OC 10907042 2 NB2011_RBC;BC2013_Millipore 84.32;101 0;0 0 2 100% 0 ZDNURMVOKAERHZ-UHFFFAOYSA-N COc1c(cc2c(c1)Cc1c2[nH]nc1Nc1cc(ccc1)F)OC 9797370 2 NB2011_RBC;BC2013_Millipore 111.255;102 0;0 0 2 100% 0 PEPCXHNLEXQQSE-UHFFFAOYSA-N Cc1ccccc1C(=O)NC(=S)Nc1ccc(cc1)Oc1c2cc(c(cc2ncc1)OC)OC.O.O.O 16760609 2 NB2011_RBC;BC2013_Millipore 90.445;98 0;0 0 2 100% 0 DGCXNBUJPWPMJJ-UHFFFAOYSA-N n12c(nnn1)nc1c(n2)[C@H](c2c1cccc2)O - 1 NB2011_RBC 102.3 0 0 1 100% 0 VFBGXTUGODTSPK-UHFFFAOYSA-N c1cc2c(c3c1NC(=O)C3=Cc1cnc[nH]1)scn2 57351456 1 NB2011_RBC 29.15 1 1 0 100% 1 ZJFMARHFPUZEKI-UHFFFAOYSA-N c1cc2c(cc1Cl)C(=Cc1cc(c(c(c1)Cl)O)Cl)C(=O)N2 24906292 1 NB2011_RBC 86.695 0 0 1 100% 0 SQWZFLMPDUSYGV-UHFFFAOYSA-N c1cc2nccnc2cc1C=C1C(=O)NC(=O)S1 24906273 1 NB2011_RBC 94.44 0 0 1 100% 0 SRLVNYDXMUGOFI-UHFFFAOYSA-N c1cc2c(cc1C=C1C(=O)NC(=O)S1)OC(O2)(F)F 53394675 1 NB2011_RBC 93.185 0 0 1 100% 0 KKDPIZPUTYIBFX-UHFFFAOYSA-N c1ccc(cc1)n1c2c(cn1)c(ncn2)N 4879 2 NB2011_RBC;BC2013_Millipore 93;99 0;0 0 2 100% 0 GDQXJQSQYMMKRA-UHFFFAOYSA-N CC(C)(C)n1c2c(c(n1)Cc1cccc3ccccc13)c(ncn2)N 5154691 2 NB2011_RBC;BC2013_Millipore 98.74;101 0;0 0 2 100% 0 RONQPWQYDRPRGG-UHFFFAOYSA-N c1cc(ccc1Nc1c(cc2c(c1)C(=O)NC2=O)Nc1ccc(cc1)F)F 6711154 2 NB2011_RBC;BC2013_Millipore 98.195;97 0;0 0 2 100% 0 KIWODJBCHRADND-UHFFFAOYSA-N c1ccc(cc1)NC1=C(C(=O)NC1=O)c1cn(c2ccccc12)CCCn1ccnc1 6419755 2 NB2011_RBC;BC2013_Millipore 19.26392403;8 1;1 2 0 100% 1 PMXCMJLOPOFPBT-OAHLLOKOSA-N CC(C)[C@@H](CO)Nc1nc2c(c(n1)Nc1cc(ccc1)Cl)ncn2C(C)C 12084804 1 NB2011_RBC 103.8881434 0 0 1 100% 0 QFJCIRLUMZQUOT-JRLVRMFHSA-N C[C@@H]1CC[C@@H]2C[C@@H](C(=CC=CC=C[C@@H](C[C@@H](C(=O)[C@@H]([C@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]1(O2)O)[C@H](C)C[C@@H]1CC[C@H]([C@@H](C1)OC)O)C)C)O)OC)C)C)C)OC - 1 NB2011_RBC 101.8991122 0 0 1 100% 0 LLJRXVHJOJRCSM-UHFFFAOYSA-N c1ccc2c(c1)c(c[nH]2)c1ccncc1 644354 2 NB2011_RBC;BC2013_Millipore 83.21505978;63 0;0 0 2 100% 0 CMKMGFAUKPAOMG-AWEZNQCLSA-N NCC(=O)N1CCCN([C@H](C1)C)S(=O)(=O)c1cccc2c1c(cnc2)C 11976582 1 NB2011_RBC 22.4090573 1 1 0 100% 1 FXGHOAZJQNLNFD-KRWDZBQOSA-N c1c2c(ccc1)n1c(c2C2=C(C(=O)NC2=O)c2cn(c3c2cccc3)C)C[C@H](CC1)CN(C)C 127757 1 NB2011_RBC 8.105573768 1 1 0 100% 1 XFXDYDZBKXMGBX-HOTGVXAUSA-N c1cc(ccn1)[C@H]1[C@@H](N=C(N1)c1ccc(cc1)OC)CC - 1 NB2011_RBC 98.47855428 0 0 1 100% 0 NJNKPVPFGLGHPA-UHFFFAOYSA-N C1=CC(=O)C=CC1=c1[nH]c(c([nH]1)c1ccncc1)c1ccc(cc1)F - 1 NB2011_RBC 99.26192168 0 0 1 100% 0 CDMGBJANTYXAIV-MHZLTWQESA-N C[S@](=O)c1ccc(cc1)c1nc(c([nH]1)c1ccncc1)c1ccc(cc1)F 9543416 1 NB2011_RBC 106.8578639 0 0 1 100% 0 VSPFURGQAYMVAN-UHFFFAOYSA-N C1CNCCC1n1cnc(c1c1nc(ncc1)N)c1ccc(cc1)F 5164 3 NB2011_RBC;NB2011_Metz;BC2013_Millipore 99.75583635;5.1;105 0;0;0 0 3 100% 0 OTPNDVKVEAIXTI-IYBDPMFKSA-N C1C[C@@H]2n3c4ccccc4c4c5c(c6c7ccccc7n([C@H]1O2)c6c34)c(=O)[nH]c5=O 447446 1 NB2011_RBC 19.04904053 1 1 0 100% 1 BHWCZLOXTLWZAQ-UHFFFAOYSA-N Cc1nc(c(o1)c1ccncc1)c1ccccc1 5174 2 NB2011_RBC;BC2013_Millipore 96.15841608;101 0;0 0 2 100% 0 YOELZIQOLWZLQC-UHFFFAOYSA-N C1CSc2nc(c(n12)c1ccncc1)c1ccc(cc1)F 5228 2 NB2011_RBC;BC2013_Millipore 99.14346722;101 0;0 0 2 100% 0 ZFGXZJKLOFCECI-UHFFFAOYSA-N c1c(ccc(c1)Cl)c1nc(sc1)Nc1ccc(cc1)O 753704 2 NB2011_RBC;NB2011_Metz 86.87621161;0 0;0 0 2 100% 0 DMWVGXGXHPOEPT-UHFFFAOYSA-N COc1c(cc2c(c1)c(ncn2)Nc1ccc(cc1)Oc1ccccc1)OC 1474853 2 NB2011_RBC;BC2013_Millipore 96.84776493;103 0;0 0 2 100% 0 HKSZLNNOFSGOKW-HMWZOHBLSA-N C[C@]12[C@H]([C@H](C[C@H](O1)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c13)CNC4=O)NC)OC 451705 2 NB2011_RBC;BC2013_Millipore 5.609683641;2 1;1 2 0 100% 1 WNRSTFUVBWNELX-UHFFFAOYSA-N CC(=O)O.c1ccc2c(c1)nc1n2c(=O)c2cccc3c(ccc1c23)C(=O)O 16760660 1 NB2011_RBC 103.4938658 0 0 1 100% 0 LOGJQOUIVKBFGH-UHFFFAOYSA-N CN(C)S(=O)(=O)c1cc2c(cc1)NC(=O)C2=Cc1cc2c([nH]1)CCCC2 5309 1 NB2011_RBC 95.4540555 0 0 1 100% 0 QNUKRWAIZMBVCU-UHFFFAOYSA-N COc1cc2c(cc1)NC(=O)C2=Cc1cnc[nH]1 24906268 2 NB2011_RBC;NB2011_Metz 95.47721665;5.1 0;0 0 2 100% 0 XPLJEFSRINKZLC-UHFFFAOYSA-N CCN(CC)CCNC(=O)c1c([nH]c(c1C)C=C1c2c(ccc(c2)Cl)NC1=O)C 24906267 1 NB2011_RBC 90.4152281 0 0 1 100% 0 MLKHXLFEYOOYEY-UHFFFAOYSA-N Cn1cc(c2ccccc12)C=C1c2c(ccc(c2)S(=O)(=O)N)NC1=O 24906266 1 NB2011_RBC 91.25161833 0 0 1 100% 0 LCACSMNPIITJGG-UHFFFAOYSA-N c1cc(cc(c1)Nc1nc(ncc1C(=O)N)NCCN)C(F)(F)F.O.O.Cl.Cl 16760670 2 NB2011_RBC;BC2013_Millipore 69.64951214;75 0;0 0 2 100% 0 KFLWBZPSJQPRDD-UHFFFAOYSA-N C1Oc2c(O1)cc(cc2)C=C[N+](=O)[O-] 94945 1 NB2011_RBC 78.79456835 0 0 1 100% 0 NMEUKWOOQOHUNA-UHFFFAOYSA-N c1cc(cnc1)CNc1ncc2c(c1)c(c(cn2)C#N)Nc1cc(c(cc1)F)Cl 9549300 1 NB2011_RBC 95.20805101 0 0 1 100% 0 IBCXZJCWDGCXQT-UHFFFAOYSA-N c1ccc2c(c1)c(ccn2)c1c([nH]nc1)c1ccccn1 447966 2 NB2011_RBC;BC2013_Millipore 96.59675747;94 0;0 0 2 100% 0 BTUOOXPZOVNPMF-UHFFFAOYSA-N Cc1cccc(n1)c1c(nc([nH]1)C(C)(C)C)c1cc2c(cc1)OCO2.Cl 16079009 2 NB2011_RBC;BC2013_Millipore 103.986284;98 0;0 0 2 100% 0 UOHFCPXBKJPCAD-UHFFFAOYSA-N COc1ccc(cc1)C=C(C#N)C#N 2063 2 NB2011_RBC;BC2013_Millipore 102.1271968;102 0;0 0 2 100% 0 TUCIOBMMDDOEMM-UHFFFAOYSA-N c1ccc(cc1)CNC(=O)C(=Cc1cc(c(cc1)O)O)C#N 2390 2 NB2011_RBC;NB2011_Metz 91.13448879;5.1 0;0 0 2 100% 0 DXVJRTIPBNBLLB-UHFFFAOYSA-N c1cc(ccc1C=C(C#N)C(=C(C#N)C#N)N)O 2045 1 NB2011_RBC 93.70422182 0 0 1 100% 0 FQNCLVJEQCJWSU-UHFFFAOYSA-N Cc1cc2ncc(nc2cc1C)c1ccccc1 2048 2 NB2011_RBC;BC2013_Millipore 92.2531037;103 0;0 0 2 100% 0 QNOXYUNHIGOWNY-UHFFFAOYSA-N COc1c(cc2c(c1)ncc(n2)c1ccccc1)OC 2049 2 NB2011_RBC;BC2013_Millipore 82.22352202;97 0;0 0 2 100% 0 GFNNBHLJANVSQV-UHFFFAOYSA-N COc1c(cc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)OC 2051 2 NB2011_RBC;BC2013_Millipore 86.41443332;104 0;0 0 2 100% 0 PMUJUSJUVIXDQC-UHFFFAOYSA-N CCOC(=O)c1c([nH]c(c1C)C=C1c2ccccc2NC1=O)C 5654 1 NB2011_RBC 91.55340397 0 0 1 100% 0 GGPZCOONYBPZEW-UHFFFAOYSA-N c1ccc(c(c1)C(=O)Nc1ccc(cc1)Cl)NCc1ccncc1 9797919 2 NB2011_RBC;BC2013_Millipore 84.73224292;106 0;0 0 2 100% 0 YUWFTONEHHSMEI-CZUORRHYSA-N C1=C(C(=C[C@@H]2[C@@H]1C(=NC=N2)Oc1ccc(c(c1)Cl)NC(=O)NCCC)OC)OC - 1 NB2011_RBC 90.06567713 0 0 1 100% 0 RFHPWPWVGFSLOP-UHFFFAOYSA-N C1CCc2c(C1)cc([nH]2)C=C1c2c(ccc(c2)Br)NC1=O 5655 1 NB2011_RBC 95.62139021 0 0 1 100% 0 WUWDLXZGHZSWQZ-UHFFFAOYSA-N Cc1cc(c([nH]1)C=C1c2ccccc2NC1=O)C 123015 2 NB2011_RBC;NB2011_Metz 91.66667376;5.1 0;0 0 2 100% 0 HBWLNACPIFKNIP-UHFFFAOYSA-N COc1ccc(cc1)c1cn2c(c(cn2)c2cscc2)nc1 5329468 2 NB2011_RBC;BC2013_Millipore 98.93156796;94 0;0 0 2 100% 0 QDLHCMPXEPAAMD-BLNDMVMCSA-N [C@H]1([C@]2(c3c(C(=O)O1)coc3C(=O)C1=C2[C@H](C[C@]2([C@@H]1CCC2=O)C)OC(=O)C)C)COC - 1 NB2011_RBC 96.10037646 0 0 1 100% 0 BLQHLDXMMWHXIT-YSZXOBSOSA-N C[C@@H]([C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1)N.O.Cl.Cl - 1 NB2011_RBC 66.43575167 0 0 1 100% 0 AXPBLFXFGVEGKU-UHFFFAOYSA-N c1(c(cc(c(c1)Cl)CO)Nc1c(cnc2c1cc(c(c2)OCCCN1CCN(CC1)C)OC)C#N)Cl - 1 NB2011_RBC 40.27488345 1 1 0 100% 1 PIQCTGMSNWUMAF-UHFFFAOYSA-N C1N(CCN(C1)C)c1cc2c(cc1)nc([nH]2)c1c(c2c([nH]c1=O)cccc2F)N 135398510 2 NB2011_RBC;NB2011_Metz 90.90595081;5.7 0;0 0 2 100% 0 ZTFBIUXIQYRUNT-MDWZMJQESA-N c1c(ccc(c1)C(F)(F)F)/C=C/c1occ(n1)COc1ccc(cc1)CCCCn1nncc1 6444692 1 NB2011_RBC 99.64698583 0 0 1 100% 0 BTIHMVBBUGXLCJ-OAHLLOKOSA-N OC[C@H](Nc1nc2n(C(C)C)cnc2c(n1)NCc1ccccc1)CC 160355 1 NB2011_RBC 101.8336621 0 0 1 100% 0 UJLAWZDWDVHWOW-AAEUAGOBSA-N c1(c2c(ncn1)[nH]cc2)N([C@H]1CN(CC[C@@H]1C)C(=O)CC#N)C 25180101 1 NB2011_RBC 75.29052431 0 0 1 100% 0 FYSRKRZDBHOFAY-UHFFFAOYSA-N c1c(c(c(cc1)F)N(c1nc(c(cc1)C(=O)N)c1c(cc(cc1)F)F)C(=O)N)F 10341154 2 NB2011_RBC;NB2011_Metz 103.5463751;0 0;0 0 2 100% 0 DFMCXVONDDGQIY-UHFFFAOYSA-N Clc1c2c(c3ccc(cc3)C(=O)N)c[nH]c2ncc1 49830274 1 NB2011_Metz 6.1 1 1 0 100% 1 XFWUTMHVDGPWLH-UHFFFAOYSA-N Clc1nc(NCc2ccccc2)cc(c2c3c([nH]c2)nccc3)c1 49830275 1 NB2011_Metz 8.1 1 1 0 100% 1 DJLORVJVWIBDME-UHFFFAOYSA-N Fc1c(C(=O)Nc2cc3c(c4ccccc4)c[nH]c3nc2)cccc1F 49830276 1 NB2011_Metz 5.1 0 0 1 100% 0 PCQMERRARZKTPW-UHFFFAOYSA-N O=C(N)c1cc(c2cc3c(c4ccccc4)c[nH]c3nc2)ccc1 49830277 1 NB2011_Metz 5.1 0 0 1 100% 0 UUWNXFJBBYAMDT-UHFFFAOYSA-N Fc1c(C(=O)Nc2cc3c(c4ccccc4)c[nH]c3nc2)c(F)ccc1 49830278 1 NB2011_Metz 5.1 0 0 1 100% 0 CLEGDJQQHUTCOW-UHFFFAOYSA-N Clc1nc(nc(c2c3c([nH]c2)nccc3)c1)NC1CCCCC1 49830279 1 NB2011_Metz 5.1 0 0 1 100% 0 HZJDBCYRQSJNLZ-UHFFFAOYSA-N [nH]1c2nccc(c2cc1)c1ccccc1 22477600 1 NB2011_Metz 0 0 0 1 100% 0 XUFLBSMTYMFOQH-UHFFFAOYSA-N Clc1nc(nc(c2c3c([nH]c2)nccc3)c1)NC1CCC(N(C)C)CC1 49830280 1 NB2011_Metz 0 0 0 1 100% 0 FMPKTXNCNJCHCC-UHFFFAOYSA-N [nH]1c2ncccc2c(c2ncnc(NCc3ccccc3)c2)c1 11565683 1 NB2011_Metz 0 0 0 1 100% 0 XPHWIERLJBFPFV-UHFFFAOYSA-N [nH]1c2ncccc2c(c2nc(NC3C(N)CCCC3)ncc2)c1 49830281 1 NB2011_Metz 6.7 1 1 0 100% 1 ADMFLILDQJSEIK-UHFFFAOYSA-N [nH]1c2ncccc2c(c2nc(ncc2)NC2CCC(N)CC2)c1 44415997 1 NB2011_Metz 8.5 1 1 0 100% 1 MASJMHFQMYAPJR-UHFFFAOYSA-N Clc1nc(nc(NC2CCCCC2)c1)c1c2c([nH]c1)nccc2 49830282 1 NB2011_Metz 6.5 1 1 0 100% 1 JMHQUQCLIVNTHT-UHFFFAOYSA-N [nH]1c2ncccc2c(c2nc(ncc2)NC2CCCCC2)c1 44415977 1 NB2011_Metz 0 0 0 1 100% 0 OEEGUWWPGAZRIJ-UHFFFAOYSA-N O=C(N1CC=C(c2c3c([nH]c2)nccc3)CC1)NC(c1ccccc1)CO 49830283 1 NB2011_Metz 5.8 0 0 1 100% 0 ZDPGLLQANLROFM-UHFFFAOYSA-N [nH]1c2ncnc(NC(C)(C)C)c2c(c2ccccc2)c1 49830284 1 NB2011_Metz 0 0 0 1 100% 0 URNZTLZSAVLTIZ-UHFFFAOYSA-N Clc1nc(nc(c2c3c([nH]c2)nccc3)c1)N 49830285 1 NB2011_Metz 0 0 0 1 100% 0 PSCJSWRVCKUMSL-UHFFFAOYSA-N OCC(Nc1ncnc2[nH]cc(c12)c1ccccc1)CO 49830286 1 NB2011_Metz 5.7 0 0 1 100% 0 PQNWNVWJXPSZFR-UHFFFAOYSA-N O=C(Nc1cc2c(c3ccccc3)c[nH]c2nc1)c1cc(OC)ccc1 49830287 1 NB2011_Metz 5.4 0 0 1 100% 0 KAKFXRYHYUPXSU-UHFFFAOYSA-N O=C(Nc1cc2c(c3ccccc3)c[nH]c2nc1)c1ccc(OC)cc1 49830288 1 NB2011_Metz 5.3 0 0 1 100% 0 YUOWJICKAJQZLS-UHFFFAOYSA-N OCCCNc1ncnc2[nH]cc(c12)c1ccccc1 49830289 1 NB2011_Metz 5.6 0 0 1 100% 0 AQQWWOMMPDCTLW-UHFFFAOYSA-N Clc1ccc(C(=O)Nc2cc3c(c4ccccc4)c[nH]c3nc2)cc1 49830290 1 NB2011_Metz 5.1 0 0 1 100% 0 FONINLXADYUZFI-UHFFFAOYSA-N OC1CCN(c2ncnc3[nH]cc(c23)c2ccccc2)CC1 49830291 1 NB2011_Metz 6.2 1 1 0 100% 1 OADRBDVURCEKRP-UHFFFAOYSA-N Brc1cc2c(c3ccccc3)c[nH]c2nc1 49830292 1 NB2011_Metz 5.1 0 0 1 100% 0 OUJZYQBEFNDJQN-UHFFFAOYSA-N Clc1nc(nc(NC2CCC(O)CC2)c1)c1c2c([nH]c1)nccc2 49830293 1 NB2011_Metz 6.9 1 1 0 100% 1 PLHUMPJXRHMFFR-UHFFFAOYSA-N Clc1nc(nc(c2c3c([nH]c2)nccc3)c1)NC1CC(N)CCC1 49830294 1 NB2011_Metz 0 0 0 1 100% 0 UYGYYOIUVFMGKQ-UHFFFAOYSA-N Clc1nc(NCC(CN)(C)C)cc(c2c3c([nH]c2)nccc3)c1 49830295 1 NB2011_Metz 0 0 0 1 100% 0 HSMUWLLZAZCLHF-UHFFFAOYSA-N Clc1nc(NCC(CNS(=O)(=O)C)(C)C)cc(c2c3c([nH]c2)nccc3)c1 49830296 1 NB2011_Metz 0 0 0 1 100% 0 LCHCSKHPVCDXAU-UHFFFAOYSA-N Clc1nc(nc(c2c3c([nH]c2)nccc3)c1)NC1CCOCC1 49830297 1 NB2011_Metz 0 0 0 1 100% 0 XNWKXXIGSPPPBH-UHFFFAOYSA-N Clc1nc(NCCN)cc(c2c3c([nH]c2)nccc3)c1 49830298 1 NB2011_Metz 0 0 0 1 100% 0 RFBPWKMQWSIPEO-UHFFFAOYSA-N Clc1nc(NCCNS(=O)(=O)C)cc(c2c3c([nH]c2)nccc3)c1 49830299 1 NB2011_Metz 0 0 0 1 100% 0 VVEGARMQKNYDID-UHFFFAOYSA-N Clc1nc(nc(c2c3c([nH]c2)nccc3)c1)NC1CC(N(C)C)CCC1 49830300 1 NB2011_Metz 0 0 0 1 100% 0 CHADTINFLWZSKR-UHFFFAOYSA-N Clc1nc(nc(c2c3c([nH]c2)nccc3)c1)NC1CC(NS(=O)(=O)C)CCC1 49830301 1 NB2011_Metz 0 0 0 1 100% 0 CNQGNADBGYCKKV-UHFFFAOYSA-N Clc1nc(nc(c2c3c([nH]c2)nccc3)c1)NC1CCC(NS(=O)(=O)C)CC1 49830302 1 NB2011_Metz 0 0 0 1 100% 0 HOYRWTWZUFFACV-UHFFFAOYSA-N Clc1nc(nc(c2c3c([nH]c2)nccc3)c1)NCC(CN)(C)C 49830303 1 NB2011_Metz 0 0 0 1 100% 0 ZGGIYFOLDBTZIL-UHFFFAOYSA-N Clc1nc(nc(c2c3c([nH]c2)nccc3)c1)NC1CCC(NC(=O)NC)CC1 49830304 1 NB2011_Metz 0 0 0 1 100% 0 KTWBYGUSEYSRND-UHFFFAOYSA-N Clc1nc(nc(c2c3c([nH]c2)nccc3)c1)NC1CCC(NCC(C)C)CC1 49830305 1 NB2011_Metz 0 0 0 1 100% 0 XXSPHNFKLDJDAK-UHFFFAOYSA-N Fc1nc(NCC(CN)(C)C)cc(c2c3c([nH]c2)nccc3)c1 49830306 1 NB2011_Metz 0 0 0 1 100% 0 SKKRZILJUKYLJS-UHFFFAOYSA-N Clc1nc(nc(c2c3c([nH]c2)nccc3)c1)NC1CC(NC(=O)C)CCC1 49830307 1 NB2011_Metz 0 0 0 1 100% 0 BGYVWFZMYBWCNY-UHFFFAOYSA-N Clc1nc(nc(c2c3c([nH]c2)nccc3)c1)NC1CCC(NC(=O)CNC)CC1 49830308 1 NB2011_Metz 0 0 0 1 100% 0 LPILBMJJRGTKOQ-UHFFFAOYSA-N Clc1nc(nc(c2c3c([nH]c2)nccc3)c1)NC1CCC(NC(=O)NCC)CC1 49830309 1 NB2011_Metz 0 0 0 1 100% 0 LSLPDHNUWRDOGC-UHFFFAOYSA-N Fc1nc(NCc2ccc(OC)cc2)cc(c2c3c([nH]c2)nccc3)c1 49830310 1 NB2011_Metz 0 0 0 1 100% 0 ACSYKUPGCXYRRO-UHFFFAOYSA-N Clc1nc(N)cc(c2c3c([nH]c2)nccc3)c1 49830311 1 NB2011_Metz 0 0 0 1 100% 0 SLKCVFPEQGHNSI-UHFFFAOYSA-N Clc1nc(nc(c2c3c([nH]c2)nccc3)c1)NC1CCC(NC(=O)CN(C)C)CC1 49830312 1 NB2011_Metz 0 0 0 1 100% 0 LOMGAGWJYPGDLT-UHFFFAOYSA-N Clc1nc(N(Cc2ccccc2)C)cc(c2c3c([nH]c2)nccc3)c1 49830313 1 NB2011_Metz 0 0 0 1 100% 0 KEBXAEFZLCNLJJ-UHFFFAOYSA-N [nH]1c2ncccc2c(c2nc(ncc2)NCC2CCCCC2)c1 11645208 1 NB2011_Metz 0 0 0 1 100% 0 XOJQJDHWKVZUAT-UHFFFAOYSA-N FC(F)(F)c1c(CNc2nc(c3c4c([nH]c3)nccc4)ccn2)cccc1 49830314 1 NB2011_Metz 0 0 0 1 100% 0 DQPYZHUAILXFJI-UHFFFAOYSA-N Clc1nc(nc(c2c3c([nH]c2)nccc3)c1)NC1C(N)CCCC1 49830315 1 NB2011_Metz 0 0 0 1 100% 0 YGUMGYOBTNGZKS-UHFFFAOYSA-N Clc1ncnc(c2c3c([nH]c2)nccc3)c1 49830316 1 NB2011_Metz 0 0 0 1 100% 0 NBLFGELIWIKRAC-UHFFFAOYSA-N O=C(N)c1ccc(Nc2ncnc3[nH]cc(c23)c2ccccc2)cc1 49830317 1 NB2011_Metz 0 0 0 1 100% 0 JIYNLLZDWHPTOM-UHFFFAOYSA-N Fc1cc(c2c3c([nH]c2)nccc3)ccc1 49830318 1 NB2011_Metz 0 0 0 1 100% 0 VIZWJTHWUUQVGO-UHFFFAOYSA-N Clc1nc(NCC=C)cc(c2c3c([nH]c2)nccc3)c1 49830319 1 NB2011_Metz 0 0 0 1 100% 0 UDRXOUVRNMKWQA-UHFFFAOYSA-N n1c(c2c3c([nH]c2)nccc3)ccnc1NC(c1ccccc1)(C)C 49830320 1 NB2011_Metz 0 0 0 1 100% 0 YJBNTRQKJQHMTM-UHFFFAOYSA-N [nH]1c2ncccc2c(c2ncnc(NCCCC)c2)c1 49830321 1 NB2011_Metz 0 0 0 1 100% 0 UFMAIBLTWQRHAK-UHFFFAOYSA-N [nH]1c2ncccc2c(c2ncnc(NCc3cc(ccc3)C)c2)c1 49830322 1 NB2011_Metz 0 0 0 1 100% 0 KBDRSPRFXNCQAM-UHFFFAOYSA-N FC(F)(F)c1cc(CNc2ncnc(c3c4c([nH]c3)nccc4)c2)ccc1 11537943 1 NB2011_Metz 0 0 0 1 100% 0 MNEBTNXXCJJUOW-UHFFFAOYSA-N Clc1nc(N(CCOC)CCOC)cc(c2c3c([nH]c2)nccc3)c1 49830323 1 NB2011_Metz 0 0 0 1 100% 0 RKDYDLMULRETNX-UHFFFAOYSA-N Clc1nc(NCC(O)(C)C)cc(c2c3c([nH]c2)nccc3)c1 49830324 1 NB2011_Metz 0 0 0 1 100% 0 DKTMRIORKQEKMU-UHFFFAOYSA-N Clc1nc(NC(COC)C)cc(c2c3c([nH]c2)nccc3)c1 49830325 1 NB2011_Metz 0 0 0 1 100% 0 PWIKZIKRKUUHRB-UHFFFAOYSA-N Clc1nc(NCc2c(c(ccc2)C)C)cc(c2c3c([nH]c2)nccc3)c1 49830326 1 NB2011_Metz 0 0 0 1 100% 0 CRKQBJZCCHKEGI-UHFFFAOYSA-N Clc1nc(NC(=O)CCC)cc(c2c3c([nH]c2)nccc3)c1 49830327 1 NB2011_Metz 0 0 0 1 100% 0 BBZSEXSOPOXLIQ-UHFFFAOYSA-N Clc1nc(NC(=O)c2c(F)cccc2F)cc(c2c3c([nH]c2)nccc3)c1 49830328 1 NB2011_Metz 0 0 0 1 100% 0 RGOPHVZLEMGMBZ-UHFFFAOYSA-N Clc1nc(nc(c2c3c([nH]c2)nccc3)c1)NC1CC(NC(=O)CN(C)C)CCC1 49830329 1 NB2011_Metz 0 0 0 1 100% 0 SMRWVXLSRJWVBF-UHFFFAOYSA-N Clc1nc(nc(NC2CC(O)CCC2)c1)c1c2c([nH]c1)nccc2 49830330 1 NB2011_Metz 0 0 0 1 100% 0 BERZRFJWHSXBCR-UHFFFAOYSA-N Clc1nc(NCCO)cc(c2c3c([nH]c2)nccc3)c1 49830331 1 NB2011_Metz 0 0 0 1 100% 0 PTZQSGFNHIVQKV-UHFFFAOYSA-N Clc1nc(NCCCCO)cc(c2c3c([nH]c2)nccc3)c1 49830332 1 NB2011_Metz 0 0 0 1 100% 0 PUYIXDDMOUMMRR-UHFFFAOYSA-N Clc1nc(nc(NC2CCC(N)CC2)c1)c1c2c([nH]c1)nccc2 49830333 1 NB2011_Metz 0 0 0 1 100% 0 HBZTVQKHXVDIDE-UHFFFAOYSA-N Clc1nc(NCCOC)cc(c2c3c([nH]c2)nccc3)c1 49830334 1 NB2011_Metz 0 0 0 1 100% 0 LACOMQAWPSFXQC-UHFFFAOYSA-N Clc1nc(nc(NC2CCC(NS(=O)(=O)C)CC2)c1)c1c2c([nH]c1)nccc2 49830335 1 NB2011_Metz 0 0 0 1 100% 0 NIUJTENHSPPCKO-UHFFFAOYSA-N Clc1nc(NCCCC(CO)(C)C)cc(c2c3c([nH]c2)nccc3)c1 49830336 1 NB2011_Metz 0 0 0 1 100% 0 JLTBOCSFMNSLFH-UHFFFAOYSA-N Clc1nc(NC(=O)CCCC)cc(c2c3c([nH]c2)nccc3)c1 49830337 1 NB2011_Metz 0 0 0 1 100% 0 JFKIXRTUZAZONT-UHFFFAOYSA-N Clc1nc(NC(=O)c2ccccc2)cc(c2c3c([nH]c2)nccc3)c1 49830338 1 NB2011_Metz 0 0 0 1 100% 0 ZWCBZONYJSNCKK-UHFFFAOYSA-N O=C(N)c1c(c2ncc[nH]2)cccc1 49830339 1 NB2011_Metz 0 0 0 1 100% 0 HBTOBTBGMLJADD-UHFFFAOYSA-N OCCc1ccc(Nc2ncnc3[nH]cc(c23)c2ccccc2)cc1 19063999 1 NB2011_Metz 0 0 0 1 100% 0 IJDOJHVYSNOODH-UHFFFAOYSA-N Oc1cc(c2c3c([nH]c2)nccc3)ccc1 49830340 1 NB2011_Metz 0 0 0 1 100% 0 SLDRUGJVYGLHPM-UHFFFAOYSA-N O(c1nc(nc(c2c3c([nH]c2)nccc3)c1)N(CCOC)CCOC)C 49830341 1 NB2011_Metz 0 0 0 1 100% 0 NOEFXFTWDBEZAN-UHFFFAOYSA-N Fc1c(CNc2nc(nc3[nH]cc(c23)c2ccc(cc2)C(=O)N)N)c(F)ccc1 49830342 1 NB2011_Metz 0 0 0 1 100% 0 NKEUPUJTVALZIK-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(ccc4)C)cc3)c1)c(ncc2C#CCNC)N 11775063 1 NB2011_Metz 0 0 0 1 100% 0 FFCFHBVSGILIJY-UHFFFAOYSA-N FC(F)(F)c1cc(NC(=O)Nc2ccc(c3c(n4ncc(c4nc3)c3cc4OCOc4cc3)N)cc2)ccc1 49830343 1 NB2011_Metz 0 0 0 1 100% 0 WPHKIQPVPYJNAX-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(F)ccc4)cc3)c1)c(ncc2c1cn(nc1)CCO)N 46207586 1 NB2011_Metz 5.2 0 0 1 100% 0 BRTHUECZMVKNMQ-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4ccc(OC)cc4)cc3)c1)c(ncc2c1cn(nc1)CC(O)CO)N 49830345 1 NB2011_Metz 0 0 0 1 100% 0 KUNZDWIFPOMUOX-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(ccc4)C)cc3)c1)c(ncc2C(=O)NCCCN(CC)CC)N 49830346 1 NB2011_Metz 0 0 0 1 100% 0 GWMATETWMAQOFL-UHFFFAOYSA-N o1c2ncnc(N)c2c(c2ccc(NC(=O)Nc3cc(ccc3)C)cc2)c1 10043997 1 NB2011_Metz 5.1 0 0 1 100% 0 DZSUJUOJJJCWGG-UHFFFAOYSA-N s1c2ncnc(N)c2c(c2ccc(NC(=O)Nc3cc(ccc3)C)cc2)c1 6539985 1 NB2011_Metz 5.1 0 0 1 100% 0 PTVPBWWDGZSEAF-UHFFFAOYSA-N s1c2ncnc(N)c2c(c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c1 9868229 1 NB2011_Metz 5.1 0 0 1 100% 0 HCNIBOQWDVOZKF-UHFFFAOYSA-N O=C1NCc2c(c3c(cc(NC(=O)Nc4cc(cc(c4)C)C)cc3)C)cccc12 21907506 1 NB2011_Metz 5.1 0 0 1 100% 0 KKYPRNBBPBRJQX-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c1)c(ncc2c1ccncc1)N 11156716 1 NB2011_Metz 5.1 0 0 1 100% 0 NRGYZNJPCGRCLV-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(ccc4)C)cc3)c1)c(ncc2C#CCN(C)C)N 18451176 1 NB2011_Metz 5.1 0 0 1 100% 0 LGHBDVLAHHANMX-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(ccc4)C)cc3)c1)c(ncc2C#CCN1CCCC1)N 18451223 1 NB2011_Metz 5.1 0 0 1 100% 0 GJKVMXDBPDDFHI-UHFFFAOYSA-N Fc1c(NC(=O)Nc2ccc(c3c4c(oc3)c(cnc4N)C#CCN3CCOCC3)cc2)cc(cc1)C 49830347 1 NB2011_Metz 0 0 0 1 100% 0 MULNSLQVKKUPJN-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4ccc(cc4)C)cc3)c1)c(ncc2c1cn(nc1)C(C(=O)N(C)C)C)N 49830348 1 NB2011_Metz 5.1 0 0 1 100% 0 RYAVJHIPOWNWDE-UHFFFAOYSA-N s1c2ncnc(N)c2c(c2ccc(NC(=O)Nc3ccccc3)cc2)c1 49830349 1 NB2011_Metz 5.1 0 0 1 100% 0 CQBBMNXXVMOFCA-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(F)ccc4)cc3)c1)c(ncc2c1cocc1)N 18451199 1 NB2011_Metz 5.1 0 0 1 100% 0 CNTCGRJDUJEUDG-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4c(F)cccc4)cc3)c1)c(ncc2c1cocc1)N 18451197 1 NB2011_Metz 5.1 0 0 1 100% 0 LVECPYVAIBNSRV-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(F)ccc4)cc3)c1)c(ncc2c1cnc(cc1)C)N 49830350 1 NB2011_Metz 5.1 0 0 1 100% 0 ZGDSBEUMPIMXBM-UHFFFAOYSA-N O=C(Nc1ccc(c2c(n3ncc(c3nc2)c2cn(nc2)C)N)cc1)Nc1cc(ccc1)C 24894620 1 NB2011_Metz 5.1 0 0 1 100% 0 UOOZSMNSBYVUGZ-UHFFFAOYSA-N FC(F)(F)c1cc(NC(=O)Nc2ccc(c3c(n4ncc(c4nc3)c3cn(nc3)C)N)cc2)ccc1 24894081 1 NB2011_Metz 5.1 0 0 1 100% 0 XKZINYYXWJEYEL-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4ccc(cc4)C)cc3)c1)c(ncc2c1cn(nc1)C)N 49830351 1 NB2011_Metz 5.1 0 0 1 100% 0 ADLPKFFMGIJZIM-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4ccc(OC)cc4)cc3)c1)c(ncc2c1cn(nc1)CC(O)(C)C)N 46223479 1 NB2011_Metz 5.1 0 0 1 100% 0 XOOAAYRIVATZNM-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4ccc(OC(F)F)cc4)cc3)c1)c(ncc2c1cn(nc1)C)N 49830352 1 NB2011_Metz 5.2 0 0 1 100% 0 RBXYGQNZRVPDNB-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4ccc(cc4)C)cc3)c1)c(ncc2c1cn(nc1)C(C(=O)NC)C)N 49830353 1 NB2011_Metz 5.1 0 0 1 100% 0 NWAUBAGBGOPJLF-UHFFFAOYSA-N s1c2ncnc(N)c2c(c1C)c1ccc(NC(=O)Nc2cc(cc(c2)C)C)cc1 6540003 1 NB2011_Metz 5.1 0 0 1 100% 0 GMYYMEOGFRKSFS-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(ccc4)C)cc3)c1)c(ncc2)N 18451374 1 NB2011_Metz 5.1 0 0 1 100% 0 DKSNLQYRZJKYOC-UHFFFAOYSA-N s1c2ncnc(N)c2c(c2ccc(NC(=O)Nc3cc(c(cc3)C)C)cc2)c1 49830354 1 NB2011_Metz 5.1 0 0 1 100% 0 QJIVDCJIPGAKQZ-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(ccc4)C)cc3)c1)c(ncc2C#Cc1cnccc1)N 11442914 1 NB2011_Metz 5.1 0 0 1 100% 0 DLPARMNJOHFOLU-UHFFFAOYSA-N o1nc(N)c2c(c3ccc(NC(=O)Nc4cc(cc(c4)C)C)cc3)cccc12 11749082 1 NB2011_Metz 0 0 0 1 100% 0 FOONBYIHFUMRSX-UHFFFAOYSA-N O=C(Nc1ccc(c2c3c([nH]nc3N)cnc2)cc1)Nc1cc(ccc1)C 11544961 1 NB2011_Metz 0 0 0 1 100% 0 SFPWNTQWFFNJIH-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(ccc4)C)cc3)c1)c(ncc2C#CCN)N 18451149 1 NB2011_Metz 5.2 0 0 1 100% 0 QAKMQVCMEPKBHL-UHFFFAOYSA-N Fc1c(c2c([nH]nc2N)cc1)c1ccc(NC(=O)Nc2c(F)ccc(c2)C)cc1 49830355 1 NB2011_Metz 0 0 0 1 100% 0 HRZOUBQYVUXBNS-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(ccc4)C)cc3)c1)c(ncc2C#CC(N)(CC)CC)N 18451135 1 NB2011_Metz 5.5 0 0 1 100% 0 GSXRCPJTNIGKSZ-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(ccc4)C)cc3)c1)c(ncc2C#CC(N)(C)C)N 18451141 1 NB2011_Metz 5.6 0 0 1 100% 0 MQRDVGBWWVWMEN-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(ccc4)C)cc3)c1)c(ncc2C#CCNS(=O)(=O)C)N 18450918 1 NB2011_Metz 5.1 0 0 1 100% 0 UUVMNPKFPGJBNX-UHFFFAOYSA-N Clc1cc(NC(=O)Nc2ccc(c3c4c(n(nc4N)C)cnc3)cc2)ccc1 11710909 1 NB2011_Metz 0 0 0 1 100% 0 DBXOMQJZSQLQED-UHFFFAOYSA-N FC(F)(F)c1cc(NC(=O)Nc2ccc(c3c4c([nH]nc4N)ncc3)cc2)c(F)cc1 11690518 1 NB2011_Metz 0 0 0 1 100% 0 HKZKELVPGXJIMW-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(ccc4)C)cc3)c1)c(ncc2C#CCN1CCOCC1)N 18451208 1 NB2011_Metz 5.4 0 0 1 100% 0 UGEJLCNSVIVALC-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(ccc4)C)cc3)c1)c(ncc2c1cn[nH]c1)N 18451073 1 NB2011_Metz 5.1 0 0 1 100% 0 KNARVZUUCLIBGV-UHFFFAOYSA-N Clc1cc(NC(=O)Nc2ccc(c3c4c(sc3)c(cnc4N)C(=O)NC)cc2)ccc1 49830356 1 NB2011_Metz 5.1 0 0 1 100% 0 ULHGAQSVFPOUDY-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4c(F)ccc(c4)C)cc3)c1)c(ncc2C(=O)NC)N 49830357 1 NB2011_Metz 5.1 0 0 1 100% 0 KROLCVQARUUHNV-UHFFFAOYSA-N FC(F)(F)c1cc(NC(=O)Nc2ccc(c3c4c(n(nc4N)C)ncc3)cc2)ccc1 11546373 1 NB2011_Metz 0 0 0 1 100% 0 RPDVCUCXMGWTFA-UHFFFAOYSA-N FC(F)(F)c1c(F)ccc(NC(=O)Nc2ccc(c3c4c(n(nc4N)C)ncc3)cc2)c1 11719226 1 NB2011_Metz 0 0 0 1 100% 0 MCCCQFAOMZMZKE-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(ccc4)C)cc3)c1)c(ncc2c1cn(nc1)C)N 49830358 1 NB2011_Metz 5.4 0 0 1 100% 0 ZCCJKVBTHCOISJ-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(F)ccc4)cc3)c1)c(ncc2c1cn(nc1)C)N 49830359 1 NB2011_Metz 5.5 0 0 1 100% 0 XBYVOPRDASFDMY-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(F)ccc4)cc3)c1)c(ncc2c1cn(nc1)CCC)N 49830360 1 NB2011_Metz 5.1 0 0 1 100% 0 NRZYTPAJGVTKIM-UHFFFAOYSA-N O(C(=O)c1c(c2n(ncnc2N)c1C)c1ccc(NC(=O)Nc2ccccc2)cc1)C 49830361 1 NB2011_Metz 5.1 0 0 1 100% 0 MHCPAORAYMTGCZ-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4ccc(OCC)cc4)cc3)c1)c(ncc2c1cn(nc1)C)N 49830362 1 NB2011_Metz 5.1 0 0 1 100% 0 ULMCFLZUGRSEQA-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4ccc(OC)cc4)cc3)c1)c(ncc2c1cn(nc1)CCO)N 49830363 1 NB2011_Metz 5.1 0 0 1 100% 0 SEVCBWKJSOLMNQ-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(ccc4)C)cc3)c1)c(ncc2C#CCN(CC)CC)N 11306240 1 NB2011_Metz 5.1 0 0 1 100% 0 XJSFDMGICAWQFS-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(ccc4)C)cc3)c1)c(ncc2C=CC(=O)NCCN(CC)CC)N 49830364 1 NB2011_Metz 5.1 0 0 1 100% 0 YDWMUCKJUNLURC-UHFFFAOYSA-N s1c2c(c(c3cc4c([nH]c(c4)C)cc3)c1)c(ncc2c1cc(S(=O)(=O)C)ccc1)N 18450667 1 NB2011_Metz 5.1 0 0 1 100% 0 XHORJSJFHVABEA-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(F)ccc4)cc3)c1)c(ncc2c1cn(nc1)CC(O)C)N 49830365 1 NB2011_Metz 5.1 0 0 1 100% 0 VCFDMLBPASGZTP-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4ccc(OC(F)F)cc4)cc3)c1)c(ncc2c1cn(nc1)CCO)N 46223254 1 NB2011_Metz 0 0 0 1 100% 0 RTYJMUXLFRYRBU-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(F)ccc4)cc3)c1)c(ncc2C(=O)NCCCN(CC)CC)N 49830366 1 NB2011_Metz 0 0 0 1 100% 0 AAYZTFLAQXDFOL-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4c(C(F)(F)F)cccc4)cc3)c1)c(ncc2)N 18451363 1 NB2011_Metz 5.1 0 0 1 100% 0 PJSBFZAYJQMORO-UHFFFAOYSA-N O=C(Nc1ccc(c2c3c([nH]nc3)ccc2)cc1)Nc1cc(ccc1)C 16125042 1 NB2011_Metz 5.1 0 0 1 100% 0 MFMXAWQGPQXDRJ-UHFFFAOYSA-N o1c2ncnc(N)c2c(c2ccc(NC(=O)Nc3ccc(cc3)C)cc2)c1 9950716 1 NB2011_Metz 5.1 0 0 1 100% 0 PYXQMJSGJIJHJT-UHFFFAOYSA-N s1c2c(c3c1ncnc3N)c1c(CC2)cc(NC(=O)Nc2cc(cc(c2)C)C)cc1 49830368 1 NB2011_Metz 5.1 0 0 1 100% 0 NZVDDFRUBIEKLV-UHFFFAOYSA-N s1c2ncnc(N)c2c(C(=O)Nc2ccc(NC(=O)Nc3ccc(cc3)C)cc2)c1 49830369 1 NB2011_Metz 5.1 0 0 1 100% 0 JXNMCDLXYWQTIW-UHFFFAOYSA-N FC(F)(F)c1c(c2c3c(C(=O)NC3)ccc2)ccc(NC(=O)Nc2cc(cc(c2)C)C)c1 11189864 1 NB2011_Metz 5.1 0 0 1 100% 0 SPMHGQZFMNZCBV-UHFFFAOYSA-N O=C(Nc1ccc(c2c3c([nH]nc3N)ccc2)cc1)Nc1cc(ccc1)C 11314310 1 NB2011_Metz 5.1 0 0 1 100% 0 LCGSWTFWYNYUKS-UHFFFAOYSA-N Brc1cc(NC(=O)Nc2ccc(c3c4c([nH]nc4N)c(cc3)C)cc2)ccc1 49830370 1 NB2011_Metz 5.1 0 0 1 100% 0 PUPCRRRSBUYJAD-UHFFFAOYSA-N Brc1cc(NC(=O)Nc2ccc(c3c4c(onc4N)c(OC)cc3)cc2)ccc1 11856204 1 NB2011_Metz 5.1 0 0 1 100% 0 OWFXKTOLFUQPDJ-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(F)ccc4)cc3)c1)c(ncc2C(=O)NCC)N 49830371 1 NB2011_Metz 5.1 0 0 1 100% 0 ZAARMHXLYCHRAK-UHFFFAOYSA-N O=C1NCc2c(c3ccc(NC(=O)Nc4cc(ccc4)C)cc3)cccc12 5329880 1 NB2011_Metz 5.1 0 0 1 100% 0 GEGCXGMFUYJULA-UHFFFAOYSA-N O=C(Nc1ccc(c2c3c(n(nc3N)C)cnc2)cc1)Nc1cc(ccc1)C 11588815 1 NB2011_Metz 5.1 0 0 1 100% 0 BIKYDWLMTPRSQL-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(F)ccc4)cc3)c1)c(ncc2c1cn(nc1)C(C(=O)N)(C)C)N 49830372 1 NB2011_Metz 5.1 0 0 1 100% 0 ORRHVRJUSPCILV-UHFFFAOYSA-N s1c2c(c(c3cc(F)c(NC(=O)Nc4cc(ccc4)C)cc3)c1)c(ncc2c1cn(nc1)CCO)N 49830373 1 NB2011_Metz 0 0 0 1 100% 0 LMPULUSZDODHFQ-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(ccc4)C)cc3)c1)c(ncc2c1ccc(NC(=O)CCCN(C)C)cc1)N 18450958 1 NB2011_Metz 0 0 0 1 100% 0 ADDQRQHBRAHARB-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(ccc4)CC)cc3)c1)c(ncc2c1cn(nc1)C)N 49830374 1 NB2011_Metz 0 0 0 1 100% 0 QKPLUKMJEKRAJD-UHFFFAOYSA-N s1nc(c2c1ncnc2N)c1ccc(NC(=O)Nc2c(F)ccc(c2)C)cc1 16043242 1 NB2011_Metz 5.1 0 0 1 100% 0 RIUZPIBUSOHUKF-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4cc(F)ccc4)cc3)c1)c(ncc2)N 18451372 1 NB2011_Metz 5.1 0 0 1 100% 0 XLFYOIVELARSKP-UHFFFAOYSA-N s1c2c(c3c1ncnc3N)c1c(CC2)cc(NC(=O)Nc2cc(ccc2)C)cc1 6540027 1 NB2011_Metz 5.1 0 0 1 100% 0 LRLDYTTWQIFWBD-UHFFFAOYSA-N s1c2c(c3c1ncnc3N)c1c(CC2)cc(NC(=O)Nc2ccccc2)cc1 49830375 1 NB2011_Metz 5.1 0 0 1 100% 0 OQNPAZRZCXFOBC-UHFFFAOYSA-N Fc1c(NC(=O)Nc2ccc(c3c(N)c4nccnc4cc3)cc2)cc(cc1)C 49830376 1 NB2011_Metz 5.1 0 0 1 100% 0 ACNCCUVYXQGPKZ-UHFFFAOYSA-N Fc1c(cc(NC(=O)Nc2ccc(c3c4c(onc4N)c(OC)cc3)cc2)cc1)C 11463885 1 NB2011_Metz 5.1 0 0 1 100% 0 VUHZDNOPEVGHEO-UHFFFAOYSA-N s1c2ncnc(N)c2c(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c1 49830377 1 NB2011_Metz 5.1 0 0 1 100% 0 IAKGNUWZPSPEKU-UHFFFAOYSA-N s1c2ncnc(N)c2c(C(=O)Nc2ccc(NC(=O)Nc3cc(cc(c3)C)C)cc2)c1 49830378 1 NB2011_Metz 5.1 0 0 1 100% 0 KWRXWPRFIUJQBP-UHFFFAOYSA-N s1c2ncnc(N)c2c(C(=O)Nc2ccc(NC(=O)Nc3cc(ccc3)C)cc2)c1 16122934 1 NB2011_Metz 5.1 0 0 1 100% 0 DCTBPIBEQFLAOQ-UHFFFAOYSA-N s1c2c(c3c1ncnc3N)c1c(CC2)cc(NC(=O)Nc2c(cccc2)C)cc1 49830379 1 NB2011_Metz 5.1 0 0 1 100% 0 ZXLFIHLBHMLHFJ-UHFFFAOYSA-N FC(F)(F)c1cc(NC(=O)Nc2ccc(c3noc4ncnc(N)c34)cc2)ccc1 10409523 1 NB2011_Metz 5.1 0 0 1 100% 0 AGYRJOAGMDIFKL-UHFFFAOYSA-N FC(F)(F)c1cc(NC(=O)Nc2ccc(c3c4c([nH]nc4C)ccc3)cc2)ccc1 49830380 1 NB2011_Metz 5.1 0 0 1 100% 0 UWDBNTXEKYRMSG-UHFFFAOYSA-N Clc1cc(NC(=O)Nc2ccc(c3c4c(sc3)ccnc4N)cc2)ccc1 18450541 1 NB2011_Metz 5.1 0 0 1 100% 0 BOBGABAXWFYHQX-UHFFFAOYSA-N O=C1NCc2c(c3cc(c(NC(=O)Nc4cc(ccc4)C)cc3)C)cccc12 5329902 1 NB2011_Metz 5.1 0 0 1 100% 0 XYXLUJQBBIBJFV-UHFFFAOYSA-N s1c2c(c3c1ncnc3N)c1c(CC2)cc(NC(=O)Nc2cc(ccc2)CC)cc1 49830381 1 NB2011_Metz 5.1 0 0 1 100% 0 RWEHAHIEUDLKGT-UHFFFAOYSA-N Brc1cc(NC(=O)Nc2ccc(c3c4c(sc3)ccnc4N)cc2)ccc1 18451366 1 NB2011_Metz 5.1 0 0 1 100% 0 RAPYFGJGASETOS-UHFFFAOYSA-N s1c2nc(nc(N)c2c(c2ccc(NC(=O)Nc3cc(ccc3)C)cc2)c1)N 49830382 1 NB2011_Metz 5.1 0 0 1 100% 0 PPCNMZPSQZFFGM-UHFFFAOYSA-N O=c1[nH]c2c([nH]1)ncc(c2)c1ccccc1 49830383 1 NB2011_Metz 5.1 0 0 1 100% 0 KTQYQHLIMZOBSM-UHFFFAOYSA-N o1nc(c2c1ncnc2N)c1ccc(NC(=O)Nc2cc(ccc2)C)cc1 10067064 1 NB2011_Metz 5.1 0 0 1 100% 0 XCHWBXBDZRJVDP-UHFFFAOYSA-N FC(F)(F)c1cc(NC(=O)Nc2ccc(c3c4c(n(nc4N)C)cnc3)cc2)ccc1 11676233 1 NB2011_Metz 5.1 0 0 1 100% 0 GALVWTFFXPRMQM-UHFFFAOYSA-N FC(F)(F)c1cc(NC(=O)Nc2ccc(c3cc4[nH]nc(N)c4cc3)cc2)ccc1 11292807 1 NB2011_Metz 5.1 0 0 1 100% 0 ISVHLTLEHRZKJC-UHFFFAOYSA-N o1c2ncnc(N)c2c(c2ccc(NC(=O)Nc3c(cccc3)C)cc2)c1 10338500 1 NB2011_Metz 5.1 0 0 1 100% 0 FJZXDUKUMALHNP-UHFFFAOYSA-N O=C(Nc1ccc(c2c(N)c3nccnc3cc2)cc1)Nc1cc(ccc1)C 44560751 1 NB2011_Metz 5.1 0 0 1 100% 0 UXMNYFJHEBEDJS-UHFFFAOYSA-N O=C(Nc1ccc(c2c3c([nH]nc3N)ccc2)cc1)Nc1ccccc1 11244819 1 NB2011_Metz 5.1 0 0 1 100% 0 DOLVPVSWTLFZMQ-UHFFFAOYSA-N FC(F)(F)c1cc(NC(=O)Nc2ccc(c3c(N)c4nccnc4cc3)cc2)ccc1 49830384 1 NB2011_Metz 5.1 0 0 1 100% 0 HQPNLIKXAPLWBQ-UHFFFAOYSA-N Fc1c(cc(NC(=O)Nc2ccc(c3c4c([nH]nc4N)ccc3)cc2)cc1)C 16125233 1 NB2011_Metz 0 0 0 1 100% 0 BDPBZUHWAVABDM-UHFFFAOYSA-N Fc1c(NC(=O)Nc2ccc(c3c4c([nH]nc4N)cnc3)cc2)cc(cc1)C 11494558 1 NB2011_Metz 0 0 0 1 100% 0 QDOBTYVGPGFRCM-UHFFFAOYSA-N Fc1c(c2c3c([nH]nc3N)ccc2)ccc(NC(=O)Nc2cc(ccc2)C)c1 11176299 1 NB2011_Metz 0 0 0 1 100% 0 ZQQVWTACALNOAJ-UHFFFAOYSA-N Fc1c(c2c([nH]nc2N)cc1)c1ccc(NC(=O)Nc2cc(c(F)cc2)C)cc1 49830385 1 NB2011_Metz 0 0 0 1 100% 0 VCSQVKQFGYRGEH-UHFFFAOYSA-N O=C1NCc2c(c3ccc(NC(=O)Nc4cc(c(cc4)C)C)cc3)cccc12 5329895 1 NB2011_Metz 5.2 0 0 1 100% 0 JCZBWICLNFNCMR-UHFFFAOYSA-N s1ncc2c(c3ccc(NC(=O)Nc4cc(C(F)(F)F)c(F)cc4)cc3)cccc12 49830386 1 NB2011_Metz 5.1 0 0 1 100% 0 CSMDANWISUYBHA-UHFFFAOYSA-N s1nc(N)c2c(c3ccc(NC(=O)Nc4cc(cc(c4)C)C)cc3)cccc12 11338239 1 NB2011_Metz 5.1 0 0 1 100% 0 GDEJPGKNPRJNGE-UHFFFAOYSA-N Fc1c(NC(=O)Nc2ccc(c3c4c(n(nc4N)C)ccc3)cc2)cc(cc1)C 11338257 1 NB2011_Metz 0 0 0 1 100% 0 XNLJDUXNZQBRSE-UHFFFAOYSA-N O=C(Nc1ccc(c2cc(ccc2)C(=O)N)cc1)Nc1cc(ccc1)C 49830387 1 NB2011_Metz 5.1 0 0 1 100% 0 KHOVFNRAIYTEPO-UHFFFAOYSA-N s1ncc2c(c3ccc(NC(=O)Nc4cc(cc(c4)C)C)cc3)cccc12 49830388 1 NB2011_Metz 5.1 0 0 1 100% 0 HBHOKIDZSIYNGE-UHFFFAOYSA-N O=C(Nc1ccc(c2c3c(n(nc3N)C)ncc2)cc1)Nc1cc(cc(c1)C)C 11689579 1 NB2011_Metz 0 0 0 1 100% 0 FDMIXRXCYIIUDY-UHFFFAOYSA-N O=C(Nc1ncccc1)Nc1ccccc1 221427 1 NB2011_Metz 0 0 0 1 100% 0 PMBSIXYFBNTLCB-UHFFFAOYSA-N o1c2ncnc(N)c2c(c1C)c1ccc(NC(=O)Nc2cc(ccc2)CC)cc1 11740916 1 NB2011_Metz 0 0 0 1 100% 0 JFWCDNMTPZUMAD-UHFFFAOYSA-N FC(F)(F)c1cc(NC(=O)Nc2ccc(c3c4c(oc3C)ncnc4N)cc2)ccc1 10410255 1 NB2011_Metz 0 0 0 1 100% 0 RSUCBZJSTXEGSF-UHFFFAOYSA-N s1c2c(c(c3ccc(N)cc3)c1)c(ncc2)N 18450753 1 NB2011_Metz 0 0 0 1 100% 0 OVGRDURICBKHPS-UHFFFAOYSA-N s1c2c(c(c3ccc(NC(=O)Nc4ccc(cc4)C)cc3)c1)c(ncc2c1cn(nc1)CC(=O)N(C)C)N 49830389 1 NB2011_Metz 0 0 0 1 100% 0 RQWGGHKZPOJNRJ-UHFFFAOYSA-N Clc1cc(NC(=O)Nc2ccc(c3c4c(sc3)c(cnc4N)C(=O)NCC)cc2)ccc1 49830390 1 NB2011_Metz 0 0 0 1 100% 0 WPTLPMIQIGYRNR-UHFFFAOYSA-N Fc1c(NC(=O)Nc2ccc(c3c4c(oc3)c(c3cnccc3)cnc4N)cc2)cc(cc1)C 49830391 1 NB2011_Metz 0 0 0 1 100% 0 WBAWCNRBKDEMDU-UHFFFAOYSA-N Fc1c2[nH]nc(N)c2c(c2ccc(NC(=O)Nc3c(F)ccc(c3)C)cc2)cc1CO 11247251 1 NB2011_Metz 0 0 0 1 100% 0 OCRAIYGHHHMVJB-UHFFFAOYSA-N s1c(c(c2c1ncnc2N)c1ccc(NC(=O)Nc2ccc(cc2)C)cc1)C(C)C 49830392 1 NB2011_Metz 0 0 0 1 100% 0 MNYJVMFULVPZRH-UHFFFAOYSA-N s1c2ncnc(N)c2c(c1C)c1ccc(NC(=O)Nc2c(ccc(c2)C)C)cc1 49830393 1 NB2011_Metz 0 0 0 1 100% 0 HQBPQUYOKGXCBB-UHFFFAOYSA-N s1c(c(c2c1ncnc2N)c1ccc(NC(=O)Nc2ccc(cc2)C)cc1)Cc1cnccc1 49830394 1 NB2011_Metz 0 0 0 1 100% 0 CBFGRAMTCIRLOX-UHFFFAOYSA-N O=C(Nc1ccc(c2nn(c3ncnc(N)c23)C)cc1)Nc1cc(ccc1)C 49830395 1 NB2011_Metz 0 0 0 1 100% 0 KACVTGKCOLBAOJ-UHFFFAOYSA-N FC(F)(F)c1cc(NC(=O)Nc2ccc(c3c4c(oc3C)ncnc4N)cc2)c(F)cc1 10456165 1 NB2011_Metz 0 0 0 1 100% 0 AUOYWLMHWSCDQP-UHFFFAOYSA-N FC(F)(F)c1cc(NC(=O)Nc2ccc(c3c4c([nH]nc4N)c(cc3)C=CC(=O)N(C)C)cc2)ccc1 49830396 1 NB2011_Metz 0 0 0 1 100% 0 KMSYJPDFKRHHNJ-UHFFFAOYSA-N s1c2c(c3c1ncnc3N)c1c(CC2)cc(NC(=O)Nc2cc(C(F)(F)F)ccc2)cc1 49830397 1 NB2011_Metz 0 0 0 1 100% 0 GPSZYOIFQZPWEJ-UHFFFAOYSA-N s1c(c2nc(Nc3ccc(N4CCOCC4)cc3)ncc2)c(nc1N)C 6420138 1 NB2011_Metz 5.1 0 0 1 100% 0 RPMKNQKYFFKBAZ-UHFFFAOYSA-N s1c(c2nc(Nc3ccc(N4CCN(CC4)C(=O)C)cc3)ncc2)c(nc1NCC)C 23652669 1 NB2011_Metz 0 0 0 1 100% 0 GAKKPKBEHVIOLH-UHFFFAOYSA-N s1c(c2nc(Nc3ccc(N4CCNCC4)cc3)ncc2)c(nc1NC)C 10022738 1 NB2011_Metz 0 0 0 1 100% 0 UVLOSTAZXZSNCP-UHFFFAOYSA-N Clc1c(Nc2cc3c([nH]nc3)cc2)nc(Nc2ccc(N3CCN(CC3)C)cc2)nc1 49830399 1 NB2011_Metz 0 0 0 1 100% 0 FXXMEMJTLOATRB-UHFFFAOYSA-N Clc1c(c2nc3sccn3c2c2nc(ncc2)Nc2cc(N3CCOCC3)ccc2)cccc1NC(=O)c1c(F)cccc1 49830400 1 NB2011_Metz 0 0 0 1 100% 0 ILUGAYBMBIJXHC-UHFFFAOYSA-N s1c2n(c(c(n2)c2cc(NC(=O)Cc3ccccc3)ccc2)c2nc(ncc2)Nc2c(OC)ccc(c2)CN(C)C)cc1 49830401 1 NB2011_Metz 0 0 0 1 100% 0 SYVFMRBHXSGATD-UHFFFAOYSA-N s1c2n(c(c(n2)c2c(N(C)C)c(NC(=O)c3c(F)cccc3F)ccc2)c2nc(ncc2)Nc2cc(N3CCOCC3)ccc2)cc1 49830402 1 NB2011_Metz 0 0 0 1 100% 0 NFMGZVPRGVERNN-UHFFFAOYSA-N s1c2n(c(c(n2)c2cc(NC(=O)Cc3ccccc3)ccc2)c2nc(ncc2)Nc2cc(N3C(=O)CCC3)ccc2)cc1 49830404 1 NB2011_Metz 5.1 0 0 1 100% 0 IGADLEYWFAAGQB-UHFFFAOYSA-N OC(c1cc(c2nc3n(c2c2nc(ncc2)Nc2ccc(cc2)CCN(C)C)cccc3)ccc1)CO 49830405 1 NB2011_Metz 0 0 0 1 100% 0 QDMKHRICOLBXIP-UHFFFAOYSA-N Clc1c(C(=O)c2sc(nc2N)Nc2ccc(N3CCN(CC3)C)cc2)c(Cl)ccc1 18521941 1 NB2011_Metz 0 0 0 1 100% 0 MGNQNQOSSLCUFP-UHFFFAOYSA-N Fc1ccc(c2nc3occn3c2c2nc(ncc2)NC2CCNCC2)cc1 11417587 1 NB2011_Metz 5.1 0 0 1 100% 0 JVDOKQYTTYUYDV-UHFFFAOYSA-N S(=O)(=O)(NC(C)(C)C)c1cc(Nc2nc(Nc3ccc(N4CCN(CC4)C)cc3)ncc2C)ccc1 16722832 1 NB2011_Metz 0 0 0 1 100% 0 GUFQYCOGYHRMAZ-UHFFFAOYSA-N s1c(c2nc(Nc3ccc(N4CCNCC4)cc3)ncc2)c(nc1NCC)C 24752189 1 NB2011_Metz 0 0 0 1 100% 0 BFTPDUXUTFGDLP-UHFFFAOYSA-N s1c2n(c(c(n2)c2cc(NC(=O)Cc3ccccc3)ccc2)c2nc(ncc2)Nc2ccc(N3CCOCC3)cc2)cc1 46886319 1 NB2011_Metz 5.1 0 0 1 100% 0 CPVBDWFSIXDJER-UHFFFAOYSA-N Fc1c(NC(=O)c2cc(c3nc4n(c3c3nc(ncc3)Nc3ccc(N5CCN(CC5)CC)cc3)cccc4)ccc2)cccc1 49830406 1 NB2011_Metz 5.1 0 0 1 100% 0 SRUYMJRFVGLQDV-UHFFFAOYSA-N s1c2n(c(c(n2)c2cc(NC(=O)c3c(F)cccc3F)ccc2)c2nc(ncc2)Nc2cc(N3C(=O)CCC3)ccc2)cc1 49830407 1 NB2011_Metz 5.1 0 0 1 100% 0 XKZQZMSAWVDRSP-UHFFFAOYSA-N s1c2n(c(c(n2)c2cc(NC(=O)Cc3ccccc3)ccc2)c2nc(ncc2)Nc2cc(N3CCOCC3)ccc2)cc1 46886323 1 NB2011_Metz 5.1 0 0 1 100% 0 JPSXZEQQHPNTNX-UHFFFAOYSA-N s1c2n(c(c(n2)c2cc(NC(=O)Cc3ccccc3)ccc2)c2nc(ncc2)Nc2cc(ccc2)CCN(C)C)cc1 46886326 1 NB2011_Metz 0 0 0 1 100% 0 NPJROAJIXPVMTE-UHFFFAOYSA-N O=C(N)c1nc2n(c1c1nc(ncc1)Nc1cc(N3CCN(CC3)C)ccc1)cccc2 49830408 1 NB2011_Metz 5.1 0 0 1 100% 0 LRESELHEXSUQGE-UHFFFAOYSA-N Fc1ccc(c2nc3occn3c2c2nc(ncc2)NC2CCN(CC2)C(=O)C)cc1 11407497 1 NB2011_Metz 5.1 0 0 1 100% 0 CDZPSYGUMJXDLL-UHFFFAOYSA-N Fc1ccc(c2nc3occn3c2c2nc(ncc2)NCC(CN(C)C)(C)C)cc1 11338778 1 NB2011_Metz 5.1 0 0 1 100% 0 JTRNNNVASYCTLO-UHFFFAOYSA-N Clc1c(NC(=O)Cc2ccccc2)cc(c2nc3sccn3c2c2nc(ncc2)Nc2cc(N3CCOCC3)ccc2)cc1 49830409 1 NB2011_Metz 0 0 0 1 100% 0 JPCWMTOYDYYXLS-UHFFFAOYSA-N s1c2n(c(c(n2)c2cc(NC(=O)Cc3ccccc3)c(N(C)C)cc2)c2nc(ncc2)Nc2cc(N3CCOCC3)ccc2)cc1 49830410 1 NB2011_Metz 0 0 0 1 100% 0 KEZAHTDTAWUZDU-UHFFFAOYSA-N s1c2n(c(c(n2)c2cc(NC(=O)c3ccccc3)ccc2)c2nc(ncc2)Nc2c(cccc2)C)cc1 49830411 1 NB2011_Metz 0 0 0 1 100% 0 GXKYSFQMTTZPGW-UHFFFAOYSA-N s1c2n(c(c(n2)c2cc(NC(=O)Cc3ccccc3)ccc2)c2nc(ncc2)Nc2c(cccc2)C)cc1 49830412 1 NB2011_Metz 0 0 0 1 100% 0 NCPXFACDZCEIQL-UHFFFAOYSA-N s1c2n(c(c(n2)c2cc(NC(=O)Cc3ccccc3)c(OCC)cc2)c2nc(ncc2)Nc2cc(N3CCOCC3)ccc2)cc1 49830413 1 NB2011_Metz 0 0 0 1 100% 0 XMGFTZYNTYNOOJ-UHFFFAOYSA-N s1c2n(c(c(n2)c2cc(NC(=O)c3c(F)cccc3F)ccc2)c2nc(ncc2)Nc2c(OC)ccc(c2)CN(C)C)cc1 49830414 1 NB2011_Metz 0 0 0 1 100% 0 NFGDOBSPZSMDEB-UHFFFAOYSA-N Clc1c(Nc2nc(c3n4c(scc4)nc3c3cc(NC(=O)Cc4ccccc4)ccc3)ccn2)cccc1 49830415 1 NB2011_Metz 0 0 0 1 100% 0 QRWHFUYBHXDYNV-UHFFFAOYSA-N s1c2n(c(c(n2)c2c(N(C)C)c(NC(=O)Cc3ccccc3)ccc2)c2nc(ncc2)Nc2cc(N3CCOCC3)ccc2)cc1 49830416 1 NB2011_Metz 0 0 0 1 100% 0 IBPSHHSPUPWXHN-UHFFFAOYSA-N s1c2n(c(c(n2)c2cc(NC(=O)c3ccccc3)c(N(C)C)cc2)c2nc(ncc2)Nc2cc(N3CCOCC3)ccc2)cc1 49830417 1 NB2011_Metz 0 0 0 1 100% 0 RXEXVTXOMVVXQH-UHFFFAOYSA-N Clc1c(Nc2nc(c3n4c(scc4)nc3c3cc(NC(=O)c4ccccc4)ccc3)ccn2)cccc1 49830418 1 NB2011_Metz 0 0 0 1 100% 0 VKSHEONMBKYFAJ-UHFFFAOYSA-N O(c1ccc(c2nc3n(c2c2nc(ncc2)Nc2cc(ccc2)CCN(C)C)cccc3)cc1)CC 49830419 1 NB2011_Metz 0 0 0 1 100% 0 QLNAEPZXTGNWCX-UHFFFAOYSA-N s1c(c2nc(Nc3ccc(N4CCN(CC4)C(=O)C)cc3)ncc2)c(nc1NC)C 10320107 1 NB2011_Metz 0 0 0 1 100% 0 MSTZEFKMCRIOTQ-UHFFFAOYSA-N Fc1cc(Nc2nc(c3ccc(cc3)C(=O)NCCN(C)C)ccn2)ccc1 49830420 1 NB2011_Metz 0 0 0 1 100% 0 JSTYJPKRWKKHLB-UHFFFAOYSA-N s1c2n(c(c(n2)c2cc(NC(=O)c3cc(OC)ccc3)ccc2)c2nc(ncc2)Nc2ccc(N3CCOCC3)cc2)cc1 49830421 1 NB2011_Metz 0 0 0 1 100% 0 TYLZTFWVTCNJKJ-UHFFFAOYSA-N Brc1c(O)c(Br)cc(c1)C=NNC(=O)Nc1ccccc1 136027060 1 NB2011_Metz 0 0 0 1 100% 0 LHZCARQYJVMUOK-UHFFFAOYSA-N Brc1cc2c([nH][nH]c2=O)cc1 21609265 1 NB2011_Metz 0 0 0 1 100% 0 MTCHQDWUHQADSY-UHFFFAOYSA-N Fc1cc(NC(=O)Nc2ccc(c3c4c(onc4N)c(OC)cc3)cc2)cc(F)c1 49830423 1 NB2011_Metz 5.1 0 0 1 100% 0 DMTDZFGYURLLKX-UHFFFAOYSA-N Fc1cc(NC(=O)Nc2ccc(c3c4c([nH]nc4N)ccc3)cc2)ccc1 11428396 1 NB2011_Metz 0 0 0 1 100% 0 OWDRQHVEJIYVOI-UHFFFAOYSA-N Clc1cc(c(NC(=S)NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)C 2797247 1 NB2011_Metz 5.1 0 0 1 100% 0 HSKVRPZJBMXFDX-UHFFFAOYSA-N S=C(NNC(=O)C(O)(c1ccccc1)c1ccccc1)Nc1ccc(F)cc1 2797246 1 NB2011_Metz 5.1 0 0 1 100% 0 FPQHXFMYXQZPSV-UHFFFAOYSA-N Clc1ccc(NC(=S)NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 14983992 1 NB2011_Metz 5.1 0 0 1 100% 0 DASFSPDIWCMVRW-UHFFFAOYSA-N Fc1cc(NC(=O)Nc2ccc(NC(=O)c3c4n(ncnc4N)cc3)cc2)ccc1 44520205 1 NB2011_Metz 5.5 0 0 1 100% 0 DTVBJIVUGSOZDZ-UHFFFAOYSA-N Clc1cc2c(c(N)c(=O)[nH]c2cc1)c1ccccc1 3810484 1 NB2011_Metz 5.1 0 0 1 100% 0 KRHJDJMOIKRPNN-UHFFFAOYSA-N Clc1cc(NC(=O)Nc2cc(C(F)(F)F)ccc2)c(O)cc1 133058 1 NB2011_Metz 0 0 0 1 100% 0 RIZSJMAJCDKJAC-UHFFFAOYSA-N s1c(NC(=O)Nc2ccccc2)ncc1 283977 1 NB2011_Metz 0 0 0 1 100% 0 FYRQDEVTRMEZHR-UHFFFAOYSA-N Fc1cc(NC(=O)Nc2ccc(c3cc4[nH]ncc4cc3)cc2)ccc1 49830424 1 NB2011_Metz 0 0 0 1 100% 0 VYPMKWZQENSPAB-UHFFFAOYSA-N Clc1cc(NC(=O)Nc2ccc(c3n[nH]c(=O)cc3C)cc2)ccc1 49830425 1 NB2011_Metz 0 0 0 1 100% 0 CJUJLGFTKBBDMG-UHFFFAOYSA-N FC(F)(F)c1cc(NC(=O)Nc2ccc(c3n[nH]c(=O)cc3C)cc2)c(F)cc1 49830426 1 NB2011_Metz 0 0 0 1 100% 0 JISZKDFLHFISOW-UHFFFAOYSA-N FC(F)(F)c1cc(NC(=O)Nc2ccc(c3n[nH]c(=O)cc3)cc2)ccc1 49830427 1 NB2011_Metz 0 0 0 1 100% 0 WONUEZVTDVQBDC-UHFFFAOYSA-N Fc1cc(NC(=O)Nc2cc(c3cc4[nH]ncc4cc3)ccc2)ccc1 49830428 1 NB2011_Metz 0 0 0 1 100% 0 HHZQTBBGRKAUIJ-UHFFFAOYSA-N ClC1=C(Nc2ccccc2)C(=O)NC1=O 12553292 1 NB2011_Metz 4.7 0 0 1 100% 0 ZDXCUVXIHVTLEU-UHFFFAOYSA-N s1(=O)nc(Nc2ccc(F)cc2)c(n1)NCCCC 49830429 1 NB2011_Metz 5.1 0 0 1 100% 0 NWMPVMMGSHXANZ-UHFFFAOYSA-N O=C1Nc2c(C1=Cc1[nH]ccc1)cc(c1cc(OCC(N)Cc3ccccc3)cnc1)cc2 49830430 1 NB2011_Metz 0 0 0 1 100% 0 VXYDJXMHISGSDA-UHFFFAOYSA-N FC(F)(F)Oc1cc(CC(N)COc2cc(c3cc4c([nH]nc4C)cc3)cnc2)ccc1 49830431 1 NB2011_Metz 0 0 0 1 100% 0 XSDJOIOVIMPMHD-UHFFFAOYSA-N n1(nnc(c1c1ccccc1)c1cc2c([nH]nc2N)cc1)Cc1ccccc1 49830432 1 NB2011_Metz 6.6 1 1 0 100% 1 KCKXYZOBGBJZEG-UHFFFAOYSA-N Fc1ccc(c2n(nnc2c2cc3c([nH]nc3N)cc2)Cc2ccccc2)cc1 49830434 1 NB2011_Metz 6.1 1 1 0 100% 1 VUDAXHCEPITOSW-UHFFFAOYSA-N Fc1ccc(c2cc(OCC(N)Cc3c4c([nH]c3)cccc4)cnc2)cc1 49830435 1 NB2011_Metz 5.1 0 0 1 100% 0 BPNUQXPIQBZCMR-UHFFFAOYSA-N O(c1cc(c2cc3c([nH]nc3C)cc2)cnc1)CC(N)Cc1ccccc1 20744853 1 NB2011_Metz 8.1 1 1 0 100% 1 ZYTFPHRVOZXPGZ-UHFFFAOYSA-N O(c1cc(c2cc3c([nH]nc3C)cc2)cnc1)CCN 49830436 1 NB2011_Metz 7.5 1 1 0 100% 1 GHPFQRTVUDXWCC-UHFFFAOYSA-N O(c1cc(c2cc3c([nH]nc3C)cc2)cnc1)CC(Cc1ccccc1)CN 22607336 1 NB2011_Metz 7.8 1 1 0 100% 1 VBNPWXWJZJNXEY-UHFFFAOYSA-N n1(nnc(c2cc3c([nH]nc3N)cc2)c1)Cc1ccccc1 25164469 1 NB2011_Metz 6.3 1 1 0 100% 1 YKYRQCWLYUTVIE-UHFFFAOYSA-N S(=O)(=O)(Nc1ccc(c2cc3c([nH]nc3N)cc2)cc1)CCC 49830437 1 NB2011_Metz 6 1 1 0 100% 1 NSHLUNUGZXJUID-UHFFFAOYSA-N O(c1cc(c2cc(C(=O)c3ccccc3)c(N)cc2)cnc1)CC(N)Cc1c2c([nH]c1)cccc2 49830438 1 NB2011_Metz 5.8 0 0 1 100% 0 KNVOICXEDILAGT-UHFFFAOYSA-N O(c1cc(c2cc3c(cc2)cncc3)cnc1)CC(NC(=O)CN(C)C)Cc1c2c([nH]c1)cccc2 22607531 1 NB2011_Metz 5.6 0 0 1 100% 0 TWCARTFPHQNBPF-UHFFFAOYSA-N S(=O)(=O)(NCCOc1cc(c2cc3c(cc2)cncc3)cnc1)C 49830439 1 NB2011_Metz 6.1 1 1 0 100% 1 GBJPKZOWVNKHRB-UHFFFAOYSA-N Fc1c(C(=O)c2c(N)ccc(c2)c2cc(OCC(N)Cc3c4c([nH]c3)cccc4)cnc2)cccc1 49830440 1 NB2011_Metz 5.7 0 0 1 100% 0 ORUUEFDGYYTXAF-UHFFFAOYSA-N O(c1cc(c2cc3c(NC(=O)C3)cc2)cnc1)CC(N)Cc1c2c([nH]c1)cccc2 22607499 1 NB2011_Metz 6.7 1 1 0 100% 1 KAKGFGCTONHQJW-UHFFFAOYSA-N o1c2c([nH]c1=O)ccc(c2)c1cc(OCC(N)Cc2c3c([nH]c2)cccc3)cnc1 22607266 1 NB2011_Metz 6.6 1 1 0 100% 1 CHTMRWQLNNRRFJ-UHFFFAOYSA-N Clc1c(Cl)ccc(c1)CC(N)COc1cc(c2cc3c([nH]nc3C)cc2)cnc1 49830441 1 NB2011_Metz 0 0 0 1 100% 0 FQEODTMNWMDUMD-UHFFFAOYSA-N o1nc(cc1c1cc2c([nH]nc2N)cc1)CC(C)C 25165277 1 NB2011_Metz 5.6 0 0 1 100% 0 UTFXYGYVDDLJER-UHFFFAOYSA-N n1(nnc(c2cc3c([nH]nc3N)cc2)c1C)Cc1ccccc1 49830442 1 NB2011_Metz 6.1 1 1 0 100% 1 YWTBGJGMTBHQTM-UHFFFAOYSA-N O(c1cc(c2cc3c([nH]nc3C)cc2)cnc1)CC(N)Cc1c2c([nH]c1)cccc2 20744821 1 NB2011_Metz 0 0 0 1 100% 0 GJOXRIYWDHESDF-UHFFFAOYSA-N n1(nnc(c1c1c(cccc1)C)c1cc2c([nH]nc2N)cc1)Cc1ccccc1 49830443 1 NB2011_Metz 0 0 0 1 100% 0 LHQWPYOYDRVMFI-UHFFFAOYSA-N O(c1cc(c2cc3c(cc2)cncc3)cnc1)CC(N)Cc1c2c([nH]c1)cccc2 22607455 1 NB2011_Metz 0 0 0 1 100% 0 IJVDETPCUCZHTR-UHFFFAOYSA-N S(=O)(=O)(Nc1ccc(c2cc3c([nH]nc3N)cc2)cc1)C 49830444 1 NB2011_Metz 5.6 0 0 1 100% 0 UEZPPFDNXOFISI-UHFFFAOYSA-N S(=O)(=O)(Nc1ccc(c2cc3c([nH]nc3N)cc2)cc1)CC 49830445 1 NB2011_Metz 5.2 0 0 1 100% 0 UOOFSEUSROQBBP-UHFFFAOYSA-N n1(nnc(c1C1CC1)c1cc2c([nH]nc2N)cc1)Cc1ccccc1 25165086 1 NB2011_Metz 0 0 0 1 100% 0 XFHCSNRQFQRLHZ-UHFFFAOYSA-N o1nc(cc1c1cc2c([nH]nc2N)cc1)Cc1ccccc1 25165278 1 NB2011_Metz 0 0 0 1 100% 0 CYLYPHIGBMPKCK-UHFFFAOYSA-N S(=O)(=O)(NCCOc1cc(c2cc3c([nH]nc3C)cc2)cnc1)C 49830446 1 NB2011_Metz 0 0 0 1 100% 0 QRCXMLQLNQMAFC-UHFFFAOYSA-N [nH]1nc(N)c2c1cc(cc2N(C)C)c1ccncc1 49830447 1 NB2011_Metz 0 0 0 1 100% 0 WYCBJBMCGVVCMY-UHFFFAOYSA-N O(c1c2c([nH]nc2N)cc(c1)c1ccncc1)CCCC 49830448 1 NB2011_Metz 0 0 0 1 100% 0 SELXDFVNFMEQCP-UHFFFAOYSA-N O(c1c2c([nH]nc2N)cc(c1)c1ccncc1)CCCN(C)C 49830449 1 NB2011_Metz 0 0 0 1 100% 0 OQHALFBQFMAXFZ-UHFFFAOYSA-N O(c1c2c([nH]nc2N)cc(c1)c1ccncc1)C(C)(C)C 49830450 1 NB2011_Metz 0 0 0 1 100% 0 VYACUCWGDYRIAG-UHFFFAOYSA-N O(c1cc(c2cc3c([nH]nc3C)cc2)cnc1)CCNC 22607785 1 NB2011_Metz 0 0 0 1 100% 0 ONSQVIFJAFIKFZ-UHFFFAOYSA-N S(=O)(=O)(N(CCOc1cc(c2cc3c([nH]nc3C)cc2)cnc1)C)C 49830451 1 NB2011_Metz 0 0 0 1 100% 0 VEXYJVKMGKPGRV-UHFFFAOYSA-N n1(nnc(c1c1ccc(N(C)C)cc1)c1cc2c([nH]nc2N)cc1)Cc1ccccc1 49830452 1 NB2011_Metz 0 0 0 1 100% 0 KQSQZFWRXUXPMI-UHFFFAOYSA-N O(c1c2c([nH]nc2N)cc(c1)c1ccc(cc1)C(=O)N)CCC(C)(C)C 49830453 1 NB2011_Metz 0 0 0 1 100% 0 JMSLHIHVUFAAJQ-UHFFFAOYSA-N Clc1cc(C(=O)c2cc(c3cc(OCC(N)Cc4c5c([nH]c4)cccc5)cnc3)ccc2N)ccc1 49830454 1 NB2011_Metz 5.2 0 0 1 100% 0 GDYZFFBMSBDTAA-UHFFFAOYSA-N O(c1ncnc2[nH]cc(c12)c1ccccc1)CCCC 49830455 1 NB2011_Metz 6.1 1 1 0 100% 1 PRRYQINUAIQTFJ-UHFFFAOYSA-N N1(c2ncnc3[nH]cc(c23)c2ccccc2)CCCCC1 22484544 1 NB2011_Metz 0 0 0 1 100% 0 MMMPFWNSQKXKDX-UHFFFAOYSA-N S(c1c2c([nH]c1)ncnc2NCCCO)C 49830456 1 NB2011_Metz 5.1 0 0 1 100% 0 ZGZVRPRSFXRGCF-UHFFFAOYSA-N O=C(Nc1n[nH]c2c1cc(c1nnn(c1)Cc1ccccc1)cc2)c1cc(OC)c(OC)cc1 49830457 1 NB2011_Metz 5.5 0 0 1 100% 0 FISNDZKRNXBCLC-UHFFFAOYSA-N o1nc(cc1c1cc2c([nH]nc2)cc1)CO 25165082 1 NB2011_Metz 0 0 0 1 100% 0 HJYHJYGXRBYDIG-UHFFFAOYSA-N Fc1c(C(=O)Nc2n[nH]c3c2cc(c2nnn(c2)Cc2ccccc2)cc3)cc(F)cc1 49830458 1 NB2011_Metz 0 0 0 1 100% 0 GVMDVMPNOAVKJR-UHFFFAOYSA-N n1(nnc(c2cc3c([nH]nc3)cc2)c1)Cc1ccccc1 25165861 1 NB2011_Metz 6 1 1 0 100% 1 CALAEFSQWBJMDU-UHFFFAOYSA-N n12c(NC3CCCCC3)c(nc1nccc2)c1cc2c([nH]nc2)cc1 25167072 1 NB2011_Metz 5.8 0 0 1 100% 0 DYSRECIVMDGUQU-UHFFFAOYSA-N n12c(NC(C)C)c(nc1nccc2)c1cc2c([nH]nc2)cc1 25167074 1 NB2011_Metz 5.9 0 0 1 100% 0 UDFDIIVNIYWXDM-UHFFFAOYSA-N O=C(Nc1n[nH]c2c1cc(c1nnn(c1)Cc1ccccc1)cc2)c1ccccc1 25164676 1 NB2011_Metz 6.6 1 1 0 100% 1 JXMYIDZREHNPDO-UHFFFAOYSA-N n1(nnc(c1C1CC1)c1cc2c([nH]nc2)cc1)Cc1ccccc1 25164882 1 NB2011_Metz 6.5 1 1 0 100% 1 ZRQXCQXWTLVASO-UHFFFAOYSA-N O=C(Nc1n[nH]c2c1cc(c1nnn(c1c1ccccc1)Cc1ccccc1)cc2)CCC 49830459 1 NB2011_Metz 6.1 1 1 0 100% 1 SBFPHSVZEXSHTL-UHFFFAOYSA-N Fc1cc(C(=O)Nc2n[nH]c3c2cc(c2nnn(c2)Cc2ccccc2)cc3)ccc1 49830460 1 NB2011_Metz 6.3 1 1 0 100% 1 UPPGGRZNGRFDAU-UHFFFAOYSA-N O=C(N(C(C)C)C)c1n(nnc1c1cc2c([nH]nc2)cc1)Cc1ccccc1 49830461 1 NB2011_Metz 5.7 0 0 1 100% 0 FDBPGAHVEGEARY-UHFFFAOYSA-N O=C(N(CCOC)C)c1n(nnc1c1cc2c([nH]nc2)cc1)Cc1ccccc1 49830462 1 NB2011_Metz 5.9 0 0 1 100% 0 ISEDKXOMRIKZPK-UHFFFAOYSA-N O1CCC(Cn2nnc(c3cc4c([nH]nc4)cc3)c2)CC1 25164884 1 NB2011_Metz 5.1 0 0 1 100% 0 MIYRKQLKDQNUKZ-UHFFFAOYSA-N O=C(N(C)C)c1n(nnc1c1cc2c([nH]nc2)cc1)Cc1ccccc1 49830463 1 NB2011_Metz 5.8 0 0 1 100% 0 RVSKJUNTDGBSSS-UHFFFAOYSA-N O=C(Nc1n[nH]c2c1cc(c1nnn(c1)Cc1ccccc1)cc2)CCC 25164472 1 NB2011_Metz 5.5 0 0 1 100% 0 CTJAMSGCMYAVCZ-UHFFFAOYSA-N s1c(nc(c2cc3c([nH]nc3)cc2)c1)Nc1ccccc1 25167075 1 NB2011_Metz 5.1 0 0 1 100% 0 SRONQUHCRFZABC-UHFFFAOYSA-N Fc1ccc(c2n(nnc2c2cc3c([nH]nc3C)cc2)Cc2ccccc2)cc1 49830464 1 NB2011_Metz 0 0 0 1 100% 0 JJTYLBBKGQOISV-UHFFFAOYSA-N O=C(Nc1n[nH]c2c1cc(c1nnn(c1)Cc1ccccc1)cc2)c1cc(OC)cc(OC)c1 49830465 1 NB2011_Metz 0 0 0 1 100% 0 CYLGCMABIBXHIQ-UHFFFAOYSA-N O=C(Nc1n[nH]c2c1cc(c1nnn(c1)Cc1ccccc1)cc2)c1cc(OC)ccc1 49830466 1 NB2011_Metz 0 0 0 1 100% 0 GNZPMJDEUIVORU-UHFFFAOYSA-N o1nc(C(=O)N2CC(O)CCC2)cc1c1cc2c([nH]nc2)cc1 49830467 1 NB2011_Metz 5.1 0 0 1 100% 0 WKWGFJFNCXAUEX-UHFFFAOYSA-N o1nc(cc1c1cc2c([nH]nc2)cc1)Cc1ccccc1 25164675 1 NB2011_Metz 5.1 0 0 1 100% 0 VSVKFEMFAYXZKR-UHFFFAOYSA-N n1(nnc(c1)Cc1ccccc1)c1cc2c([nH]nc2)cc1 25165085 1 NB2011_Metz 5.4 0 0 1 100% 0 UXUQVXDYXKMCGA-UHFFFAOYSA-N O=c1nc(c2cc3c([nH]nc3)cc2)cc([nH]1)c1ccccc1 16661285 1 NB2011_Metz 5.1 0 0 1 100% 0 CPGKMMMSMJKHDL-UHFFFAOYSA-N n12c(nc(c3cc4c([nH]nc4)cc3)c1)nccc2 25167280 1 NB2011_Metz 5.1 0 0 1 100% 0 FLHJZUQGFPJXRD-UHFFFAOYSA-N O=C(Nc1n[nH]c2c1cc(c1nnn(c1)Cc1ccccc1)cc2)CN(C)C 49830468 1 NB2011_Metz 5.1 0 0 1 100% 0 OPOGDZANLATWGS-UHFFFAOYSA-N n1(nnc(c2cc3c([nH]nc3)cc2)c1)Cc1c(cc(cc1)C)C 25166655 1 NB2011_Metz 5.1 0 0 1 100% 0 ZTUKHYNMEWPBNZ-UHFFFAOYSA-N o1nc(cc1c1cc2c([nH]nc2)cc1)CN1CCCCC1 25165081 1 NB2011_Metz 5.1 0 0 1 100% 0 DWXUTKBSWVUPBE-UHFFFAOYSA-N n1(nnc(c1c1c(cccc1)C)c1cc2c([nH]nc2C)cc1)Cc1ccccc1 49830469 1 NB2011_Metz 0 0 0 1 100% 0 BEJCLDKQCNVTQR-UHFFFAOYSA-N O=C(Nc1n[nH]c2c1cc(c1nnn(c1)Cc1ccccc1)cc2)c1ccc(cc1)C#N 49830470 1 NB2011_Metz 0 0 0 1 100% 0 KAZJIBCOYQRDGG-UHFFFAOYSA-N O=C(Nc1n[nH]c2c1cc(c1nnn(c1)Cc1ccccc1)cc2)c1cc(ccc1)C#N 49830471 1 NB2011_Metz 0 0 0 1 100% 0 XZONYYFHQICDAM-UHFFFAOYSA-N Fc1ccc(C(=O)Nc2n[nH]c3c2cc(c2nnn(c2)Cc2ccccc2)cc3)cc1 49830472 1 NB2011_Metz 0 0 0 1 100% 0 ZAOAKWGRHJIYTD-UHFFFAOYSA-N n12c(NCCCC)c(nc1nccc2)c1cc2c([nH]nc2)cc1 25167277 1 NB2011_Metz 0 0 0 1 100% 0 AGYZUONRISUOIK-UHFFFAOYSA-N n1[nH]c2c(c1c1ccccc1)cc(c1nnn(c1)Cc1ccccc1)cc2 25164272 1 NB2011_Metz 0 0 0 1 100% 0 IOYGZJJCJBOPDM-UHFFFAOYSA-N n1(nnc(c1c1ccccc1)c1cc2c([nH]nc2)cc1)Cc1ccccc1 25165084 1 NB2011_Metz 0 0 0 1 100% 0 CTQIQHVVPQICIK-UHFFFAOYSA-N O=C(Nc1n[nH]c2c1cc(c1nnn(c1)Cc1ccccc1)cc2)c1c(OC)cccc1 49830473 1 NB2011_Metz 0 0 0 1 100% 0 UZFPGFONVYFSRR-UHFFFAOYSA-N Clc1cc(C(=O)Nc2n[nH]c3c2cc(c2nnn(c2)Cc2ccccc2)cc3)ccc1 49830474 1 NB2011_Metz 0 0 0 1 100% 0 VUWOSKCPLJROAK-UHFFFAOYSA-N n1[nH]c2c(c1c1nnn(c1)Cc1ccccc1)cc(c1nnn(c1)Cc1ccccc1)cc2 25164271 1 NB2011_Metz 0 0 0 1 100% 0 QATMNAAQTUISJK-UHFFFAOYSA-N Clc1ccc(C(=O)Nc2n[nH]c3c2cc(c2nnn(c2)Cc2ccccc2)cc3)cc1 49830475 1 NB2011_Metz 0 0 0 1 100% 0 OHLKBSAOSZPTFS-UHFFFAOYSA-N o1nc(cc1c1cc2c([nH]nc2)cc1)CCC 25164677 1 NB2011_Metz 5.1 0 0 1 100% 0 RWKDVIAVTRRJIR-UHFFFAOYSA-N O=C(Nc1n[nH]c2c1cc(c1nnn(c1)Cc1ccccc1)cc2)c1ccc(N(C)C)cc1 49830476 1 NB2011_Metz 0 0 0 1 100% 0 QVWKRMXAYICTFS-UHFFFAOYSA-N s1c(nc(c2cc3c([nH]nc3)cc2)c1)NCc1ccccc1 25167078 1 NB2011_Metz 5.1 0 0 1 100% 0 IHGUHCPMDSTTIW-UHFFFAOYSA-N FC(F)(F)c1c(Cn2nnc(c3cc4c([nH]nc4)cc3)c2)ccc(c1)C(F)(F)F 25166868 1 NB2011_Metz 5.1 0 0 1 100% 0 HWGZXYUOXGVACR-UHFFFAOYSA-N O=C(n1nc(N)c2c1ccc(c2)c1nnn(c1)Cc1ccccc1)C1CCN(CC1)C 25164470 1 NB2011_Metz 5.1 0 0 1 100% 0 NYZBKPORWJDPBX-UHFFFAOYSA-N o1nc(C(=O)N2CC(CCC2)C(=O)N)cc1c1cc2c([nH]nc2)cc1 49830477 1 NB2011_Metz 5.1 0 0 1 100% 0 ZVZCNOQSOULQEK-UHFFFAOYSA-N o1nc(cc1c1cc2c([nH]nc2)cc1)C(=O)N1CCCCC1 25164885 1 NB2011_Metz 5.1 0 0 1 100% 0 RVPSPMYVDLPRIK-UHFFFAOYSA-N Fc1ccc(c2ncn(c2c2cc3c([nH]nc3)cc2)CCN2CCOCC2)cc1 25165481 1 NB2011_Metz 5.1 0 0 1 100% 0 UIZGOEDLEJDOIA-UHFFFAOYSA-N O=C(Nc1n[nH]c2c1ccc(c1nnn(c1)Cc1ccccc1)c2)CN(C)C 49830478 1 NB2011_Metz 0 0 0 1 100% 0 HNXJWWRRSGDVIW-UHFFFAOYSA-N O=C(NC(c1ccccc1)CO)c1ccc(c2ccncc2)cc1 49830479 1 NB2011_Metz 6.3 1 1 0 100% 1 HXDDWVMJYDULAZ-UHFFFAOYSA-N Clc1cc(C(NC(=O)c2ccc(c3ccncc3)cc2)CO)cc(Cl)c1 49830480 1 NB2011_Metz 5.7 0 0 1 100% 0 VGNKOJURPOHWJF-UHFFFAOYSA-N O=C(NC(c1cc(OC)ccc1)CN)c1ccc(c2ccncc2)cc1 49830482 1 NB2011_Metz 7.6 1 1 0 100% 1 YPJJSXBVVGPFHA-UHFFFAOYSA-N O=C(NC(c1cc(OC)ccc1)C)c1ccc(c2c(cncc2)C)cc1 49830483 1 NB2011_Metz 7.4 1 1 0 100% 1 TVEREFRWBLRPPJ-UHFFFAOYSA-N Fc1c(c2ccncc2)ccc(C(=O)NC(c2cc(OC)ccc2)C)c1 49830484 1 NB2011_Metz 6.9 1 1 0 100% 1 ZCXXFPLQFFRMPN-UHFFFAOYSA-N O=C(NC(c1cc(OC)ccc1)C)c1cc(c(c2ccncc2)cc1)C 49830485 1 NB2011_Metz 6.9 1 1 0 100% 1 HOBMVEVXDIOMDM-UHFFFAOYSA-N s1c2c(nc1NC(c1ccccc1)CCO)ccc(c2)c1ccncc1 49830486 1 NB2011_Metz 6.1 1 1 0 100% 1 ZRTWUBWXIGHVET-UHFFFAOYSA-N O=C(NC(c1cc(OC)ccc1)C)c1c(NCCCN)cc(c2ccncc2)cc1 49830487 1 NB2011_Metz 7 1 1 0 100% 1 YGEACCLUBSGMMJ-UHFFFAOYSA-N O=C(NC(c1ccccc1)C)c1ccc(c2ccncc2)cc1 49830488 1 NB2011_Metz 6.4 1 1 0 100% 1 SYSUZXPGQXEWCZ-UHFFFAOYSA-N O=C(NCc1ccccc1)c1ccc(c2ccncc2)cc1 11196984 1 NB2011_Metz 5.9 0 0 1 100% 0 NGDNKYRUKIPCLK-UHFFFAOYSA-N s1c2c(nc1NCc1ccccc1)ccc(c2)c1ccncc1 44237411 1 NB2011_Metz 5.4 0 0 1 100% 0 VAMDLIMJLAPZGX-UHFFFAOYSA-N O=C(NC(c1cc(OCCC)ccc1)C)c1ccc(c2ccncc2)cc1 49830490 1 NB2011_Metz 6 1 1 0 100% 1 MGHVIFHVMLXSSM-UHFFFAOYSA-N Clc1ccc(c2cc3c(cc2)CNC3=O)cc1 49830492 1 NB2011_Metz 0 0 0 1 100% 0 BCELDWCEMNNKGM-UHFFFAOYSA-N O=C(N)c1c(N2CCCC2)cc(c2ccncc2)cc1 49830493 1 NB2011_Metz 0 0 0 1 100% 0 WQEJLZRJDSKLCZ-UHFFFAOYSA-N O=c1[nH]c2c([nH]c3c1ccc(c3)c1ccncc1)cccc2 49830494 1 NB2011_Metz 0 0 0 1 100% 0 PMZKTTKWUGJZHP-UHFFFAOYSA-N O=C(N)c1c(NCc2ccccc2)cc(c2ccncc2)cc1 49830495 1 NB2011_Metz 0 0 0 1 100% 0 KASOPCDXOCZUGO-UHFFFAOYSA-N Fc1cc(CNc2c(ccc(c2)c2ccncc2)C(=O)N)ccc1 49830496 1 NB2011_Metz 0 0 0 1 100% 0 GVOOEMLKTIRYCO-UHFFFAOYSA-N O=c1n2[nH]cc(c2nc(c1)c1ccncc1)C(=O)NCc1ccccc1 16734329 1 NB2011_Metz 0 0 0 1 100% 0 DPPIQOOVRLCHQC-UHFFFAOYSA-N Clc1ccc(CC(NC(=O)c2ccc(c3ccncc3)cc2)CO)cc1 49830497 1 NB2011_Metz 5.1 0 0 1 100% 0 GWXPHWSUMLUDPO-UHFFFAOYSA-N N(c1c(ccc(c2ccncc2)c1)C#N)Cc1ccccc1 49830498 1 NB2011_Metz 0 0 0 1 100% 0 GHHHKQJZQNKCCH-UHFFFAOYSA-N s1c(c2c3c(C(=O)NC3)ccc2)ccc1 49830499 1 NB2011_Metz 0 0 0 1 100% 0 TYRICULVJRGSTL-UHFFFAOYSA-N Brc1c2c(C(=O)NC2)ccc1 21907509 1 NB2011_Metz 0 0 0 1 100% 0 XZVLUQDUOAWQMB-UHFFFAOYSA-N O=C(NC(c1ccccc1)CCO)c1ccc(c2ccncc2)cc1 49830500 1 NB2011_Metz 0 0 0 1 100% 0 XRMGXJRAHPHLGH-UHFFFAOYSA-N Fc1c(cc(c2cc3c(C(=O)NC3)cc2)cc1)C 49830501 1 NB2011_Metz 0 0 0 1 100% 0 JIFGOPCFXJIPNK-UHFFFAOYSA-N Fc1c(C(=O)NC(Cc2ccccc2)CO)ccc(c1)c1ccncc1 49830502 1 NB2011_Metz 5.1 0 0 1 100% 0 YVKVSKQNYIHXPX-UHFFFAOYSA-N O=C(NC(Cc1ccccc1)CO)c1ccc(c2ccncc2)cc1 49830503 1 NB2011_Metz 5.1 0 0 1 100% 0 JBLPUDJLELBRHC-UHFFFAOYSA-N O=C(NCc1cc(OC)ccc1)c1ccc(c2ccncc2)cc1 11537005 1 NB2011_Metz 0 0 0 1 100% 0 XZZUBMJMGJRIKY-UHFFFAOYSA-N Fc1c(c2ccc(C(=O)NC(c3cc(OCCC)ccc3)C)cc2)ccnc1 49830504 1 NB2011_Metz 0 0 0 1 100% 0 VKTGOQALQHPVAF-UHFFFAOYSA-N O=C1NCc2c1cc(c1cc(ccc1)C)cc2 49830505 1 NB2011_Metz 0 0 0 1 100% 0 QTENOXFSNBDPMO-UHFFFAOYSA-N O=C1NCc2c1cc(c1ccccc1)cc2 19078761 1 NB2011_Metz 0 0 0 1 100% 0 XRAMQMPTFUGPMI-UHFFFAOYSA-N O=C(NCc1cc(OC)ccc1)c1cnc(nc1)c1ccncc1 49830506 1 NB2011_Metz 0 0 0 1 100% 0 XLOCUPULAFZCML-UHFFFAOYSA-N Brc1ccc(CNC(=O)c2c3n(nc2)c(c2ccccc2)ccn3)cc1 49830507 1 NB2011_Metz 0 0 0 1 100% 0 MHWHPWMWKYXCRJ-UHFFFAOYSA-N O=C(O)c1c(Nc2nc(Nc3ccc([N+](=O)[O-])cc3)ncc2)cccc1 23647262 1 NB2011_Metz 0 0 0 1 100% 0 OWRXHGAFWZFFCW-UHFFFAOYSA-N Clc1c(Nc2c(S(=O)(=O)NC)cccc2)nc(Nc2cc(OC)c(OC)c(OC)c2)nc1 49830508 1 NB2011_Metz 7.1 1 1 0 100% 1 MVJMMLFMPWITEJ-UHFFFAOYSA-N Brc1c(nc(Nc2cc(S(=O)(=O)N)ccc2)nc1)Nc1ccc(OCC#N)cc1 15605335 1 NB2011_Metz 6.6 1 1 0 100% 1 GCBJDOWIQHMCMR-UHFFFAOYSA-N O=C(O)c1c(Nc2nc(Nc3cc4c([nH]nc4)cc3)ncc2)cccc1 23647265 1 NB2011_Metz 5.9 0 0 1 100% 0 LYNBNVBMAGDJRW-UHFFFAOYSA-N O=C(O)c1c(Nc2nc(Nc3cc(O)ccc3)ncc2)cccc1 23647251 1 NB2011_Metz 5.1 0 0 1 100% 0 FLEAYYMORDPWAJ-UHFFFAOYSA-N O(c1c(OC)cc(Nc2nc(Nc3c(C(=O)N)cccc3)c([N+](=O)[O-])cn2)cc1OC)C 9891182 1 NB2011_Metz 6.5 1 1 0 100% 1 ZVWRFVCNQOECJS-UHFFFAOYSA-N S(=O)(=O)(N)c1cc(Nc2nc(Nc3ccc(OCC(=O)N)cc3)c(cn2)C)ccc1 49830509 1 NB2011_Metz 5.1 0 0 1 100% 0 ASOBSKNWRJNQBK-UHFFFAOYSA-N Clc1c(Nc2cc3c([nH]nc3)cc2)nc(Nc2ccc(N3CCN(CC3)CC)cc2)nc1 49830510 1 NB2011_Metz 0 0 0 1 100% 0 UYJNQQDJUOUFQJ-UHFFFAOYSA-N Clc1c(nc(Nc2c(OC)cc(N3CCOCC3)cc2)nc1)Nc1c(C(=O)NC)cccc1 9934347 1 NB2011_Metz 5.1 0 0 1 100% 0 YADXIKLQVVBNLC-UHFFFAOYSA-N Brc1c(Nc2c(S(=O)(=O)NC)cccc2)nc(Nc2c(OC)ccc(N3CCN(CC3)C(=O)C)c2)nc1 49830511 1 NB2011_Metz 6.6 1 1 0 100% 1 RTDSHUGNRVXRHN-UHFFFAOYSA-N S(=O)(=O)(N)c1c(ccc(Nc2nc(Nc3ccc(OCC(=O)NC)cc3)c(F)cn2)c1)C 49830512 1 NB2011_Metz 5.1 0 0 1 100% 0 YMIJUBCSOKSFRU-UHFFFAOYSA-N O=C(O)c1c(Nc2nc(Nc3cc4[nH]ncc4cc3)ncc2)cccc1 23647264 1 NB2011_Metz 5.6 0 0 1 100% 0 KHGPYYFCIAISBU-UHFFFAOYSA-N Brc1c(nc(Nc2cn(nc2)C)nc1)Nc1c(C(=O)N)cccc1 49830513 1 NB2011_Metz 0 0 0 1 100% 0 FSMBXUVDJRDBGE-UHFFFAOYSA-N Brc1c(nc(Nc2cn(nc2)C)nc1)Nc1c(OC)cccc1 49830514 1 NB2011_Metz 0 0 0 1 100% 0 QPPMTPTVOKYEAL-UHFFFAOYSA-N Clc1c(nc(Nc2cn(nc2)C)nc1)Nc1ccccc1 49830515 1 NB2011_Metz 0 0 0 1 100% 0 UJBBNOIOPWMSTB-UHFFFAOYSA-N Brc1c(nc(Nc2cn(nc2)C)nc1)Nc1ccccc1 49830516 1 NB2011_Metz 0 0 0 1 100% 0 LDCRXINUMOULCK-UHFFFAOYSA-N Brc1c(nc(Nc2cn(nc2)C)nc1)Nc1cc(ccc1)C(=O)N 49830517 1 NB2011_Metz 0 0 0 1 100% 0 IOBVCHJTLVPPBR-UHFFFAOYSA-N Fc1c(nc(nc1)Nc1ccccc1)Nc1ccccc1 667926 1 NB2011_Metz 5.1 0 0 1 100% 0 GKFFFOLFBJUEFN-UHFFFAOYSA-N n1c(Nc2ccccc2)nccc1Nc1ccccc1 948954 1 NB2011_Metz 4.8 0 0 1 100% 0 ZKLJKKASNXVQBZ-UHFFFAOYSA-N Clc1c(nc(Nc2cn(nc2)C)nc1)Nc1c(C(=O)N)cccc1 49830518 1 NB2011_Metz 0 0 0 1 100% 0 OFPXYNMQWVCVKZ-UHFFFAOYSA-N FC(F)(F)c1c(nc(nc1)Nc1ccccc1)Nc1c(C(=O)N)cccc1 49830519 1 NB2011_Metz 0 0 0 1 100% 0 DTMZXHDQZQLTHA-UHFFFAOYSA-N Fc1cc(Nc2nc(Nc3c(C(=O)O)cccc3)ccn2)ccc1 23647255 1 NB2011_Metz 0 0 0 1 100% 0 IABDKYMGRMDGMM-UHFFFAOYSA-N Fc1ccc(Nc2nc(Nc3c(C(=O)O)cccc3)ncn2)cc1 49830520 1 NB2011_Metz 0 0 0 1 100% 0 WZISGNDZZPSYRP-UHFFFAOYSA-N O=C(O)c1c(Nc2nc(Nc3cc4[nH]ncc4cc3)ncn2)cccc1 49830521 1 NB2011_Metz 0 0 0 1 100% 0 UMYBAQLXZPEUQW-UHFFFAOYSA-N Fc1cc(Nc2nc(Nc3c(C(=O)O)cccc3)ncn2)ccc1 49830522 1 NB2011_Metz 0 0 0 1 100% 0 BQWUBCRDJPIJAT-UHFFFAOYSA-N Fc1cc(Nc2nc(Nc3c(C(=O)O)cccc3)ccn2)ccc1C 23647258 1 NB2011_Metz 0 0 0 1 100% 0 IIPNDDKGCRHLKT-UHFFFAOYSA-N O=C(O)c1c(Nc2nc(ncc2)NCc2cc(O)ccc2)cccc1 49830523 1 NB2011_Metz 0 0 0 1 100% 0 RPJQRYMIWCLJNZ-UHFFFAOYSA-N s1c(nc(N)c1)Nc1ccccc1 49830524 1 NB2011_Metz 0 0 0 1 100% 0 KOVKHYZLBGIDNN-UHFFFAOYSA-N O=C(O)c1c(Nc2nc(NC3C(N)CCCC3)ncc2)cccc1 49830525 1 NB2011_Metz 0 0 0 1 100% 0 LNYPORVAHOFKGG-UHFFFAOYSA-N O(c1c(O)cc(Nc2nc(Nc3c(C(=O)O)cccc3)ccn2)cc1)C 49830526 1 NB2011_Metz 0 0 0 1 100% 0 UMIUXVPQKJLPJE-UHFFFAOYSA-N Fc1c(Nc2c(C(=O)O)cccc2)nc(nc1)Nc1cc(O)ccc1 23647270 1 NB2011_Metz 0 0 0 1 100% 0 ROIWTEBVYRJZEG-UHFFFAOYSA-N O=C(O)c1c(Nc2nc(Nc3cc(ccc3)C)ncc2)cccc1 23647257 1 NB2011_Metz 0 0 0 1 100% 0 ITDFNHYFFLGNBD-UHFFFAOYSA-N Brc1c(Nc2c(S(=O)(=O)C)cccc2)nc(Nc2cn(nc2)C)nc1 49830527 1 NB2011_Metz 0 0 0 1 100% 0 LSSNCWGAWKTCBU-UHFFFAOYSA-N Brc1c(nc(Nc2cn(nc2)C)nc1)Nc1c(Cl)cccc1 49830528 1 NB2011_Metz 0 0 0 1 100% 0 HBJUFAHIACMPFY-UHFFFAOYSA-N Fc1c(Nc2c(C(=O)O)cccc2)nc(nc1)Nc1ccccc1 23647269 1 NB2011_Metz 0 0 0 1 100% 0 DMZYLMOMCDYHBI-UHFFFAOYSA-N Clc1c(Nc2c(S(=O)(=O)C)cccc2)nc(nc1)Nc1ccccc1 49830529 1 NB2011_Metz 0 0 0 1 100% 0 XTLPWDSHEFXTDS-UHFFFAOYSA-N Clc1c(nc(Nc2ccc(N3CCN(CC3)CC)cc2)nc1)Nc1cc(NC(=O)C)c(O)cc1 49830530 1 NB2011_Metz 0 0 0 1 100% 0 PAUJDBYBTNFQJH-UHFFFAOYSA-N O=C(O)c1c(Nc2nc(N3CCCCC3)ncc2)cccc1 2307066 1 NB2011_Metz 0 0 0 1 100% 0 OPXXZGPYCSWTPA-UHFFFAOYSA-N O=C(O)c1c(Nc2nc(ncc2)NCc2ccccc2)cccc1 23647247 1 NB2011_Metz 0 0 0 1 100% 0 DDIWACSQAYVQBC-UHFFFAOYSA-N Fc1ccc(Nc2nc(Nc3cc(ccc3)C#N)ncn2)cc1 49830531 1 NB2011_Metz 0 0 0 1 100% 0 OZHJZVONMLIEPV-UHFFFAOYSA-N O=C(O)c1c(Nc2nc(Nc3ccc(O)cc3)ncc2)cccc1 23647252 1 NB2011_Metz 0 0 0 1 100% 0 MDNWGCQSCGNTKH-UHFFFAOYSA-N s1c2nc(cc(c2c(N)c1C(=O)NCc1ccc(OC)cc1)C)C 864492 1 NB2011_Metz 0 0 0 1 100% 0 UJBJWYNPUOLFIZ-UHFFFAOYSA-N FC(F)(F)CNc1nc(nc2[nH]ccc12)Nc1ccc(cc1)C(=O)NCCC 16129448 1 NB2011_Metz 0 0 0 1 100% 0 WHVFDYQCAMPLMS-UHFFFAOYSA-N Fc1c(c(Nc2nc(Nc3c(OC)cc4c(N(CC4)C(=O)CN(C)C)c3)nc3[nH]ccc23)ccc1)C(=O)N 25211575 1 NB2011_Metz 0 0 0 1 100% 0 XQVVPGYIWAGRNI-UHFFFAOYSA-N O=C1N(c2c(N(C1CC)C1CCCC1)nc(nc2)Nc1c(OC)cc(cc1)C(=O)NC1CCN(CC1)C)C 11577250 1 NB2011_Metz 5.2 0 0 1 100% 0 VRIFJAKXSBXYFZ-UHFFFAOYSA-N O=C(NCCC)c1ccc(Nc2nc3[nH]ccc3c(n2)CC)cc1 49830532 1 NB2011_Metz 0 0 0 1 100% 0 ZLLCVOJWNDZXIO-UHFFFAOYSA-N FC(F)(F)CCc1nc(nc2[nH]ccc12)Nc1ccc(cc1)C(=O)NCCC 49830533 1 NB2011_Metz 0 0 0 1 100% 0 QPTZMGCTRHKKJD-UHFFFAOYSA-N O=C1N(c2c(N(C1CC)C1CCCC1)nc(nc2)Nc1c(OC)cc(cc1)C(=O)NC1CCCCC1)C 49830534 1 NB2011_Metz 5.1 0 0 1 100% 0 YMPQGMJCDSFOMH-UHFFFAOYSA-N S(=O)(=O)(N(c1c(CNc2nc(nc3[nH]ccc23)N)cccc1)C)C 49830535 1 NB2011_Metz 5.1 0 0 1 100% 0 TVENGSGQLJMALI-UHFFFAOYSA-N O=c1n(n(c2nc(ncc2n1C)Nc1c(OC)cc(cc1)C(=O)NC1CCN(CC1)C)C1CCCC1)CC 24765714 1 NB2011_Metz 5.1 0 0 1 100% 0 JNXJKTXDSPWNRP-UHFFFAOYSA-N O(c1c(OC)cc(Nc2nc3n(c4ccc(OC)cc4)ccc3cn2)cc1OC)C 49830536 1 NB2011_Metz 0 0 0 1 100% 0 MCKPYPWHBUXLEZ-UHFFFAOYSA-N s1c2c(c(c3ccc(Nc4oc5c(n4)cccc5)cc3)cnc2N)cc1C(=O)N 11560418 1 NB2011_Metz 0 0 0 1 100% 0 LCYPRFCDTJTQPG-UHFFFAOYSA-N O(c1cc(Nc2ncnc3c2cccc3)ccc1)C 712193 1 NB2011_Metz 5.1 0 0 1 100% 0 KXPWWMPXNUOYOH-UHFFFAOYSA-N Clc1cc2oc(nc2cc1)Nc1ccc(c2c3c(C(=O)NC3)cc(OCCCN)c2)cc1 49830537 1 NB2011_Metz 5.1 0 0 1 100% 0 DZGATJHVQUFYSK-UHFFFAOYSA-N o1c(nc2c1cccc2)Nc1ccc(c2c3c(C(=O)NC3)cc(OCCCN(C)C)c2)cc1 49830538 1 NB2011_Metz 5.5 0 0 1 100% 0 NLUPJKQOKWBWFC-UHFFFAOYSA-N s1c(c(n(c1=O)CC)C)c1nc(ncc1)Nc1cc(OC)ccc1 11210054 1 NB2011_Metz 5.3 0 0 1 100% 0 PDBPUXLUVDSLML-UHFFFAOYSA-N o1c(nc2c1cccc2)Nc1ccc(c2c3c(C(=O)NC3)cc(OCCCN)c2)cc1 49830539 1 NB2011_Metz 5.5 0 0 1 100% 0 FXQWJULRETZHHW-UHFFFAOYSA-N o1c2c(nc1Nc1ccc(c3c4c(C(=O)NC4)ccc3)cc1)cccc2 49830540 1 NB2011_Metz 6.8 1 1 0 100% 1 CQXFMKMVOOUGSS-UHFFFAOYSA-N O(c1ccc(Nc2ncnc3c2cccc3)cc1)Cc1ccccc1 5209964 1 NB2011_Metz 5.1 0 0 1 100% 0 YQWYJLZXGVWBRR-UHFFFAOYSA-N FC(F)(F)c1c(nc(Nc2cc(OC)c(OC)c(OC)c2)nc1)N 49830541 1 NB2011_Metz 0 0 0 1 100% 0 FGSLHCMPNMYQJT-UHFFFAOYSA-N FC(F)(F)c1c(OC)nc(Nc2cc(OC)c(OC)c(OC)c2)nc1 49830542 1 NB2011_Metz 0 0 0 1 100% 0 VVQQRUZZQQSDEI-UHFFFAOYSA-N O=C1C(=C(NCc2ccc(OC)cc2)C1=O)Nc1cc2c([nH]nc2)cc1 49830543 1 NB2011_Metz 5.1 0 0 1 100% 0 ZWZKHJQCLZIUIT-UHFFFAOYSA-N O=C(N)c1c2[nH]ncc2ccc1 44586040 1 NB2011_Metz 0 0 0 1 100% 0 XYZNKCSDQRKAFR-UHFFFAOYSA-N Clc1cc(C(C(=O)Nc2cc3c([nH]nc3)cc2)CCN)ccc1Cl 23570850 1 NB2011_Metz 6.5 1 1 0 100% 1 SHENEEFOURUIBP-UHFFFAOYSA-N O=C1C(=C(NCc2cc(NC(=O)C)ccc2)C1=O)Nc1cc2c([nH]nc2)cc1 49830544 1 NB2011_Metz 6.7 1 1 0 100% 1 MTYMWGNJKDHWGN-UHFFFAOYSA-N Clc1c(Cl)ccc(c1)CNC(=O)Nc1cc2c([nH]nc2)cc1 49830545 1 NB2011_Metz 5.5 0 0 1 100% 0 JEENXNNKWVZLHC-UHFFFAOYSA-N Clc1c(CNC2=C(N(c3cc4c([nH]nc4)cc3)C)C(=O)C2=O)ccc(Cl)c1 49830546 1 NB2011_Metz 0 0 0 1 100% 0 LNYJUWCJKQGEPR-UHFFFAOYSA-N Clc1c(CC(=O)Nc2cc3[nH]ncc3cc2)cccc1 36559462 1 NB2011_Metz 5.1 0 0 1 100% 0 LOCWELCIOZHZHE-UHFFFAOYSA-N Clc1c(CNC2=C(Nc3cc4c([nH]nc4)cc3)C(=O)C2=O)ccc(Cl)c1 49830547 1 NB2011_Metz 7 1 1 0 100% 1 RAUYTJLQISREEJ-UHFFFAOYSA-N Fc1cc(C(=O)Nc2cc3c([nH]nc3)cc2)ccc1 6466450 1 NB2011_Metz 5.1 0 0 1 100% 0 JGKVEXCUPFIDIE-UHFFFAOYSA-N Clc1ccc(C(=O)Nc2cc3c([nH]nc3)cc2)cc1 17163635 1 NB2011_Metz 5.1 0 0 1 100% 0 JXINXBYTGKRURK-UHFFFAOYSA-N Clc1ccc(C(=O)Nc2cc3[nH]ncc3cc2)cc1 2305717 1 NB2011_Metz 5.1 0 0 1 100% 0 NPLQZQGAZAUUTB-UHFFFAOYSA-N Brc1ccc(CNC(=O)Nc2cc3c([nH]nc3)cc2)cc1 24768216 1 NB2011_Metz 5.1 0 0 1 100% 0 QIXBPDJPNDOGRJ-UHFFFAOYSA-N Clc1ccc(CNC(=O)Nc2c3c([nH]nc3)ccc2)cc1 22337591 1 NB2011_Metz 5.1 0 0 1 100% 0 JLMARWBNDGMWGQ-UHFFFAOYSA-N N(c1cc2c([nH]nc2)cc1)c1nc(NC2CCCCC2)ccn1 49830548 1 NB2011_Metz 0 0 0 1 100% 0 WQCPTQKPKSAWSP-UHFFFAOYSA-N Fc1ccc(Nc2nc(Nc3cc4[nH]ncc4cc3)ncn2)cc1 49830549 1 NB2011_Metz 0 0 0 1 100% 0 NRGOEUKPNMBABW-UHFFFAOYSA-N Fc1ccc(Nc2nc(Nc3cc4c([nH]nc4)cc3)ncn2)cc1 49830550 1 NB2011_Metz 0 0 0 1 100% 0 UCLBDUZAAUTHBW-UHFFFAOYSA-N O=C(N)c1c2nc([nH]c2ccc1)C1CCN(CC1)C(=O)Nc1cc(OC)ccc1 49830551 1 NB2011_Metz 0 0 0 1 100% 0 PDDNOJLLBVAHLR-UHFFFAOYSA-N O=C(Nc1c(OC)ccc(OC)c1)c1c2n(nc1)c(c1ccccc1)ccn2 45908781 1 NB2011_Metz 5.1 0 0 1 100% 0 VKWVIEBXAPQKKA-UHFFFAOYSA-N O(c1c2[nH]c3c(c(=O)[nH]c2ccc1)ccc(Nc1ccncc1)c3)C 49830552 1 NB2011_Metz 5.1 0 0 1 100% 0 PEGDUPMZZIMNQZ-UHFFFAOYSA-N O=C(Nc1c(OC)cccc1)c1c2n(nc1)c(c1ccccc1)ccn2 49830553 1 NB2011_Metz 0 0 0 1 100% 0 PMYGRZOHSCYHIR-UHFFFAOYSA-N O=C(Nc1cc(OC)ccc1)c1c2n(nc1)c(c1ccccc1)ccn2 46435372 1 NB2011_Metz 5.1 0 0 1 100% 0 WGKQCRDCROUYLI-UHFFFAOYSA-N Clc1cc2c(S(=O)(=O)NC2=O)cc1 64790 1 NB2011_Metz 0 0 0 1 100% 0 YKJSWMAVAKRUAN-UHFFFAOYSA-N Clc1c2c(NC(=O)c3ccc(Cl)cc3)c(sc2ccc1Cl)C(=O)N 49830554 1 NB2011_Metz 5.5 0 0 1 100% 0 NWYXEDPSORNUPL-UHFFFAOYSA-N S(=O)(=O)(NC(=O)c1ccc(c2ccc(F)cc2)cc1)c1cc(N)c(NC2CCCCC2)cc1 49830555 1 NB2011_Metz 0 0 0 1 100% 0 NNNBYOYSLQUCNI-UHFFFAOYSA-N Clc1c2c(S(=O)(=O)NC2=O)ccc1 15567171 1 NB2011_Metz 0 0 0 1 100% 0 WLKHCNMIVBLWRL-UHFFFAOYSA-N O=c1[nH]c(nc(c2ccccc2)c1)NC1CCCCC1 135634689 1 NB2011_Metz 0 0 0 1 100% 0 OHRHYISISMGRCN-UHFFFAOYSA-N O=C(O)C1CN(C1)Cc1ccc(cc1)C#CCCCC 46873764 1 NB2011_Metz 0 0 0 1 100% 0 BQYDGSNDLAZAEW-UHFFFAOYSA-N s1c(CCNC(=O)N2CC=C(c3c4c([nH]c3)nccc4)CC2)ccc1 44632634 1 NB2011_Metz 0 0 0 1 100% 0 RFVBRKXQYUDGIO-UHFFFAOYSA-N O=C(Nc1cc(cnc1)C=Cc1ccncc1)C(N)Cc1c2c([nH]c1)cccc2 49830556 1 NB2011_Metz 6.3 1 1 0 100% 1 OETCTXGISYWYMV-UHFFFAOYSA-N Fc1c(c2nc3c([nH]2)cccc3C(=O)N)ccc(c1)C1CNCCC1 16665630 1 NB2011_Metz 5.1 0 0 1 100% 0 UGHBIMSDMGHFIE-UHFFFAOYSA-N Clc1cc2[nH]c(nc2c(c1)C(=O)N)c1c(F)cc(cc1)C1CNCCC1 16666093 1 NB2011_Metz 5.1 0 0 1 100% 0 HKRUFMXPSVYVMY-UHFFFAOYSA-N O=C(N)c1c2nc([nH]c2ccc1)c1nc(NCCCN2CCN(CC2)C)ccc1 23433004 1 NB2011_Metz 5.1 0 0 1 100% 0 CZIGMBNEFWBEMD-UHFFFAOYSA-N O=C(N)c1c2nc([nH]c2ccc1)c1ccncc1 9905711 1 NB2011_Metz 5.1 0 0 1 100% 0 ZVEAATAOCUCEDL-UHFFFAOYSA-N O(C(=O)c1c2nc([nH]c2ccc1)c1ccc(N2CC(N)CC2)cc1)CC 49830558 1 NB2011_Metz 5.1 0 0 1 100% 0 OQSVYNYDHYYKJX-UHFFFAOYSA-N S(=O)(=O)(N1CCOCC1)c1cc(C(=O)Nc2ccc(c3nc4c([nH]3)cccc4C(=O)N)cc2)ccc1 49830559 1 NB2011_Metz 5.1 0 0 1 100% 0 XFCOCCMXXFTEEC-UHFFFAOYSA-N O=C(N)c1c2nc([nH]c2ccc1)c1ccc(OCCN(CC)CC)cc1 9798600 1 NB2011_Metz 5.1 0 0 1 100% 0 LGVIXHMVSRYWJL-UHFFFAOYSA-N Fc1c(c2nc3c([nH]2)cccc3C(=O)N)ccc(c1)C1NCCCC1 16665773 1 NB2011_Metz 0 0 0 1 100% 0 DNWXPSYLVCYKCN-UHFFFAOYSA-N O(c1cc(c2nc3c([nH]2)cccc3C(=O)N)ccc1)CCN(C)C 49830560 1 NB2011_Metz 0 0 0 1 100% 0 HDIIEJQPCDNNML-UHFFFAOYSA-N O=C(N)c1c2nc([nH]c2ccc1)c1nc(NCCCN(CC)CC)ccc1 23433024 1 NB2011_Metz 5.1 0 0 1 100% 0 MEEDWVBLFZVSIA-UHFFFAOYSA-N O=C(N)c1c2nc([nH]c2ccc1)c1nc(NCCN2CCCC2)ccc1 23433114 1 NB2011_Metz 0 0 0 1 100% 0 BNPHQQLNFFGRJU-UHFFFAOYSA-N O=C(N)c1c2nc([nH]c2ccc1)c1cnc(N2CCN(CC2)Cc2ccccc2)cc1 23432929 1 NB2011_Metz 0 0 0 1 100% 0 QTXMRICJLRRAOW-UHFFFAOYSA-N n1c([nH]c2c1cccc2)c1cc(ccc1)CC(=N)N 49830561 1 NB2011_Metz 0 0 0 1 100% 0 LQKJNUZCMGIUPZ-UHFFFAOYSA-N O=C(N)c1c2nc([nH]c2ccc1)c1ccc(n2cc(cc2)CN2CCCCC2)cc1 49830562 1 NB2011_Metz 0 0 0 1 100% 0 YIAQLLSRXBLMGX-UHFFFAOYSA-N O=C(N)c1c2nc([nH]c2ccc1)c1ccc(N2CCN(CC2)CCCC)cc1 49830563 1 NB2011_Metz 0 0 0 1 100% 0 AAPAMFMKNPBKSU-UHFFFAOYSA-N O=C(N)c1c2nc([nH]c2ccc1)c1cnc(N2CCN(CC2)CCCC)cc1 23432981 1 NB2011_Metz 0 0 0 1 100% 0 SJHNCEZKOYCERN-UHFFFAOYSA-N S(=O)(=O)(Nc1cc2c(c3c(C2=NO)cccc3)cc1)c1c(F)cccc1 49830564 1 NB2011_Metz 0 0 0 1 100% 0 GQLWKGVBOIYMTN-UHFFFAOYSA-N s1c2[nH]nc(c2cc1C(=O)NCc1cc(OC)ccc1)c1ccccc1 49830565 1 NB2011_Metz 5.1 0 0 1 100% 0 VGURQCQNQDZAOF-UHFFFAOYSA-N S1C(=Cc2cc(OC)ccc2)C(=O)NC1=Nc1ccccc1 135533388 1 NB2011_Metz 5.1 0 0 1 100% 0 QNJUFBLXCPQTHI-UHFFFAOYSA-N s1c2c(nc1NC(=O)Cc1sccc1)cccc2 718180 1 NB2011_Metz 0 0 0 1 100% 0 QPORZABOFXPRHM-UHFFFAOYSA-N s1c2ncnc(N)c2c(C(=O)Nc2ccc(NC(=O)Nc3c(cccc3)C)cc2)c1 49830566 1 NB2011_Metz 5.1 0 0 1 100% 0 VWACUNWBMWWMPJ-UHFFFAOYSA-N O=c1[nH]c2c([nH]c3c1ccc(c3)c1cc(OC)c(O)cc1)ccc(c2)C(=O)NCCCN(C)C 10456958 1 NB2011_Metz 0 0 0 1 100% 0 NKZVCOXZDFTYPG-UHFFFAOYSA-N O=c1[nH]c2c([nH]c3ncnc(N)c13)cccc2 49830567 1 NB2011_Metz 0 0 0 1 100% 0 KDJGCVHPUMHUOL-UHFFFAOYSA-N O=c1[nH]c2c([nH]c3c1ccc(c3)c1cc(OC)c(O)cc1)c(O)ccc2 45270357 1 NB2011_Metz 0 0 0 1 100% 0 KVVFXAAMMFTLGN-UHFFFAOYSA-N O=c1[nH]c2c([nH]c3c1cccc3)cccc2 201327 1 NB2011_Metz 5.1 0 0 1 100% 0 XHFZDCLANHHVOK-UHFFFAOYSA-N O=c1[nH]c2c([nH]c3c1cc(cc3)C)cccc2 49830568 1 NB2011_Metz 0 0 0 1 100% 0 OLVBAUVSICCWEJ-UHFFFAOYSA-N Fc1cc(CNC(=O)c2cc3[nH]c(=O)c4c([nH]c3cc2)cc(c2cc(OC)c(O)cc2)cc4)ccc1 49830569 1 NB2011_Metz 5.7 0 0 1 100% 0 LRINYHMQZRENCY-UHFFFAOYSA-N O=c1[nH]c2c([nH]c3c1ccc(c3)c1cc(OC)c(O)cc1)ccc(c2)C(=O)NCCNC(=O)C 9981692 1 NB2011_Metz 5.1 0 0 1 100% 0 MDJCUXFFMNEBHG-UHFFFAOYSA-N O=c1[nH]c2c([nH]c3c1ccc(c3)c1cc(OC)c(O)cc1)ccc([N+](=O)[O-])c2 10317442 1 NB2011_Metz 5.1 0 0 1 100% 0 WKWARMGSTJGPIX-UHFFFAOYSA-N O=c1[nH]c2c([nH]c3nnccc13)cccc2 10398257 1 NB2011_Metz 5.1 0 0 1 100% 0 MWYKOESKEDEXHN-UHFFFAOYSA-N S(=O)(=O)(N(c1c(c2cc3[nH]c4c([nH]c(=O)c3cc2)cccc4)cccc1)C)C 49830570 1 NB2011_Metz 0 0 0 1 100% 0 OJLMLBGQIFKNGV-UHFFFAOYSA-N S(=O)(=O)(Nc1c(c2cc3[nH]c4c([nH]c(=O)c3cc2)cccc4)cccc1)C 49830571 1 NB2011_Metz 0 0 0 1 100% 0 IUKCXNRQUQFXJL-UHFFFAOYSA-N S(=O)(=O)(N(C)C)c1c(c2cc3[nH]c4c([nH]c(=O)c3cc2)cccc4)cccc1 49830572 1 NB2011_Metz 5.1 0 0 1 100% 0 KIEFRRZUZZNWHT-UHFFFAOYSA-N O=c1[nH]c2c([nH]c3c1ccc(c3)c1cc(ncc1)C)cccc2 49830573 1 NB2011_Metz 0 0 0 1 100% 0 PMXPVPGZZRMXIV-UHFFFAOYSA-N Fc1c(c2cc3[nH]c4c([nH]c(=O)c3cc2)cccc4)ccnc1 49830574 1 NB2011_Metz 0 0 0 1 100% 0 BLUHZSPELLCJKH-UHFFFAOYSA-N Clc1c(c2cc3[nH]c4c([nH]c(=O)c3cc2)cccc4)ccnc1 49830575 1 NB2011_Metz 0 0 0 1 100% 0 JYRQCAFYZKCCBK-UHFFFAOYSA-N S(=O)(=O)(Nc1c(c2cc3[nH]c4c([nH]c(=O)c3cc2)cc(c2cc(OC)c(OC)c(OC)c2)cc4)cccc1)C 49830576 1 NB2011_Metz 5.1 0 0 1 100% 0 PIYLMTVHAQUHKQ-UHFFFAOYSA-N O=c1[nH]c2c([nH]c3c1ccc(c1c(C(=O)OC)cccc1)c3)cccc2 49830578 1 NB2011_Metz 5.1 0 0 1 100% 0 GKYOHKSBYDSKLB-UHFFFAOYSA-N O=c1[nH]c2c([nH]c3c1ccc(c3)c1cc(OC)c(OCC(O)CO)cc1)ccc(c2)CCOc1ccc(N2CCOCC2)cc1 49830579 1 NB2011_Metz 5.1 0 0 1 100% 0 IWYYSOJWYLZKLK-UHFFFAOYSA-N O(c1c(OC)cc2[nH]c(=O)c3c([nH]c2c1)cc(c1cc(OC)c(O)cc1)cc3)CCCCO 49830580 1 NB2011_Metz 0 0 0 1 100% 0 UNPJSGSIMWLTCH-UHFFFAOYSA-N O=c1[nH]c2c([nH]c3c1cccc3)ccc(c2)C 19934548 1 NB2011_Metz 5.1 0 0 1 100% 0 VPVMIKODHZBWOH-UHFFFAOYSA-N O=c1[nH]c2c([nH]c3c1ccc(c3)c1c(O)cccc1)cccc2 49830581 1 NB2011_Metz 0 0 0 1 100% 0 GPKQGYSDQQIJLW-UHFFFAOYSA-N Fc1c(CNC2=C(Nc3ccncc3)C(=O)C2=O)cccc1 49830582 1 NB2011_Metz 6 1 1 0 100% 1 JEBVEWIZLLHQIY-UHFFFAOYSA-N Brc1ccc(C2=NOC(=O)C2=Cc2cc3OCOc3cc2)cc1 1285959 1 NB2011_Metz 0 0 0 1 100% 0 AMEJAXGXJBKLDC-UHFFFAOYSA-N Clc1c(N2CCOCC2)ccc(Nc2nc(NC3CC3)c3sccc3n2)c1 25016188 1 NB2011_Metz 0 0 0 1 100% 0 HWKRLEWEHMSCPE-UHFFFAOYSA-N N1(c2ccc(Nc3nc(Nc4cc5c([nH]nc5)cc4)ccn3)cc2)CCN(CC1)CC 49830583 1 NB2011_Metz 0 0 0 1 100% 0 HHBRVCNUTJEMPJ-UHFFFAOYSA-N O(c1cc(Nc2nc(ncc2)N)ccc1)CCN 49830584 1 NB2011_Metz 5.7 0 0 1 100% 0 UVVWPMILFLDGSQ-UHFFFAOYSA-N n1(ncc2c1ccc(Nc1nc(ncc1)N)c2)C 49830585 1 NB2011_Metz 0 0 0 1 100% 0 HXESDBWWDYJEJQ-UHFFFAOYSA-N [nH]1nc(c2c1ccc(c2)c1cnccc1)C 49830586 1 NB2011_Metz 0 0 0 1 100% 0 ODNOTLMFNVWFTJ-UHFFFAOYSA-N OCCNc1ncc2c(cc(c3cnccc3)cc2)c1 49830587 1 NB2011_Metz 5.1 0 0 1 100% 0 GCZJQTRRJPRFIP-UHFFFAOYSA-N O=C(Nc1ccccc1)c1n[nH]c2c1cc(c1cc(OC)c(O)cc1)cc2 49830588 1 NB2011_Metz 5.1 0 0 1 100% 0 UAQJVFADAYIBGC-UHFFFAOYSA-N s1c(c2cc3c([nH]nc3C)cc2)c(cc1C(=O)NC(c1cc(OC)ccc1)C)C 49830589 1 NB2011_Metz 8.1 1 1 0 100% 1 RYYNGWLOYLRZLK-UHFFFAOYSA-N FC(F)(F)c1c(nc(Nc2cc3C4N(C(c3cc2)CC4)C(=O)CNC(=O)C)nc1)NC1CCC1 49830590 1 NB2011_Metz 5.5 0 0 1 100% 0 ZZIXCHIEESZZDI-UHFFFAOYSA-N Fc1ccc(C(=O)Nc2cc(C3Nc4c(C5C3CC=C5)c3c(cc4)cccc3)ccc2)cc1 23740938 1 NB2011_Metz 0 0 0 1 100% 0 WFTZMAAMCVPJJT-UHFFFAOYSA-N FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3cc(ncc3)C(=O)NC)cc2)ccc1 49830591 1 NB2011_Metz 5.1 0 0 1 100% 0 FQYLJBVSYHZWLT-UHFFFAOYSA-N FC(F)(F)c1cc(NC(=O)Nc2ccc(C3=Nc4c(NCC3)ncnc4N)cc2)ccc1 15941246 1 NB2011_Metz 5.5 0 0 1 100% 0 NKGLJTITEFZKAN-UHFFFAOYSA-N O=C(Nc1cc(cc(c1)C(=NNC(=N)N)C)C(=NNC(=N)N)C)c1cc(C(=O)Nc2cc(cc(c2)C(=NNC(=N)N)C)C(=NNC(=N)N)C)ccc1 136027061 1 NB2011_Metz 6.2 1 1 0 100% 1 XAYDUCQADQTDGX-UHFFFAOYSA-N FC(F)(F)c1cc(NC(=O)Nc2ccc(C3=Nc4c(NCC3)ncnc4NC)cc2)ccc1 49830593 1 NB2011_Metz 5.1 0 0 1 100% 0 ROPVGAMDOWWUTK-UHFFFAOYSA-N Clc1c2c(NC(=O)c3ccc(cc3)C)c(sc2ccc1Cl)C#N 49830594 1 NB2011_Metz 5.1 0 0 1 100% 0 XBDWKVLCDCUNHH-UHFFFAOYSA-N Clc1c2c(NC(=O)c3ccc(cc3)C)c(sc2ccc1Cl)C(=O)N 49830595 1 NB2011_Metz 5.3 0 0 1 100% 0 CHILCFMQWMQVAL-UHFFFAOYSA-N Clc1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(O)cc1 5081913 1 NB2011_Metz 5.1 0 0 1 100% 0 WJWZBQQEQNLYFQ-UHFFFAOYSA-N FC(F)(F)c1cc(NC(=O)Nc2ccc(n3c4c(nc3)cccc4)cc2)ccc1 49830596 1 NB2011_Metz 0 0 0 1 100% 0 SGHXFHRRWFLILP-UHFFFAOYSA-N O(c1cc(cnc1)C=Cc1ccncc1)CC(N)Cc1c2c([nH]c1)cccc2 49830597 1 NB2011_Metz 6.2 1 1 0 100% 1 WYLVFMBGPRCDQF-UHFFFAOYSA-N O(c1cc(cnc1)C=Cc1ccncc1)CC(O)Cc1c2c([nH]c1)cccc2 49830598 1 NB2011_Metz 5.8 0 0 1 100% 0 IPKHSYHXXAIZDD-UHFFFAOYSA-N s1c(c2cc(OCC(N)Cc3c4c([nH]c3)cccc4)cnc2)cc2c1ccnc2 49830599 1 NB2011_Metz 6.4 1 1 0 100% 1 GWJHMRBQEUHFOC-UHFFFAOYSA-N s1c(c2cc(OCC(N)Cc3c4c([nH]c3)cccc4)cnc2)cc2c1cncc2 22607792 1 NB2011_Metz 7.3 1 1 0 100% 1 AQDWLHMFJHACCX-UHFFFAOYSA-N Clc1ncc(cc1OCC(N)Cc1c2c([nH]c1)cccc2)C=Cc1ccncc1 49830600 1 NB2011_Metz 5.7 0 0 1 100% 0 BSFNGHCTZDCQBF-UHFFFAOYSA-N O=C1Nc2c(C1=Cc1occc1)cc(c1cc(OCC(N)Cc3c4c([nH]c3)cccc4)cnc1)cc2 49830601 1 NB2011_Metz 7.7 1 1 0 100% 1 JMQCXZBXWOIDIO-UHFFFAOYSA-N [nH]1nc(N)c2c1cc(cc2NCCCC)c1ccncc1 49830602 1 NB2011_Metz 0 0 0 1 100% 0 QXSWYUAVQZDEEH-UHFFFAOYSA-N O(c1cc(cnc1)C=Cc1ccncc1)CCc1c2c([nH]c1)cccc2 49830603 1 NB2011_Metz 0 0 0 1 100% 0 ZJAHDRFLBKWZPM-UHFFFAOYSA-N Fc1ccc(c2nc3n(c2c2nc(ncc2)NCC(CN(C)C)(C)C)ccnc3)cc1 49830604 1 NB2011_Metz 5.1 0 0 1 100% 0 SPYHMOFSJGTUNP-UHFFFAOYSA-N Fc1ccc(c2nc3n(c2c2nc(ncc2)NCCOC)ccnc3)cc1 49830605 1 NB2011_Metz 5.1 0 0 1 100% 0 PTSWSUSIGQQZOO-UHFFFAOYSA-N Fc1ccc(c2nc3n(c2c2nc(ncc2)NCC(CO)(C)C)ccnc3)cc1 49830606 1 NB2011_Metz 5.1 0 0 1 100% 0 GUHUQPHEGAYGKK-UHFFFAOYSA-N Fc1ccc(c2nc3n(c2c2nc(ncc2)NCC(CO)(C)C)ccnc3CC2CC2)cc1 16050449 1 NB2011_Metz 5.1 0 0 1 100% 0 FFQQZBOORWKWDZ-UHFFFAOYSA-N Fc1c(c2nc3n(c2c2nc(ncc2)NCC2(O)CC2)ccnc3C)ccc(F)c1 16050452 1 NB2011_Metz 5.1 0 0 1 100% 0 WIRUYYYAAJOIKO-UHFFFAOYSA-N Fc1c(c2nc3n(c2c2nc(ncc2)NCC(O)(C)C)ccnc3C)ccc(F)c1 16050453 1 NB2011_Metz 5.1 0 0 1 100% 0 FGWOKLCRQJXPPQ-UHFFFAOYSA-N Fc1ccc(c2nc3n(c2c2nc(ncc2)NCC2CC2)ccnc3)cc1 49830607 1 NB2011_Metz 5.1 0 0 1 100% 0 YPDWGKSFVMASOZ-UHFFFAOYSA-N Fc1c(c2nc3n(c2c2nc(ncc2)NCCC(O)(C)C)ccnc3C)ccc(F)c1 24947488 1 NB2011_Metz 5.1 0 0 1 100% 0 HUXSWYWELGEQNC-UHFFFAOYSA-N Fc1ccc(c2nc3n(c2c2nc(ncc2)NCC(CO)(C)C)ccnc3OCC(F)(F)F)cc1 49830608 1 NB2011_Metz 5.1 0 0 1 100% 0 IILNBGZKSQQREW-UHFFFAOYSA-N Fc1ccc(c2nc3n(c2c2nc(ncc2)NCC(COC)(C)C)ccnc3C)cc1 49830609 1 NB2011_Metz 5.1 0 0 1 100% 0 UCOWZARZLHNDKP-UHFFFAOYSA-N Fc1c(c2nc3n(c2c2nc(ncc2)NCC(CO)(C)C)ccnc3OC)ccc(F)c1 49830610 1 NB2011_Metz 5.1 0 0 1 100% 0 UTMRCMCLMBDPNW-UHFFFAOYSA-N Fc1ccc(c2nc3n(c2c2nc(ncc2)NCC(CO)(C)C)ccnc3CCN)cc1 49830611 1 NB2011_Metz 5.1 0 0 1 100% 0 KBFBKKNSHPUFET-UHFFFAOYSA-N Fc1c(c2nc3n(c2c2nc(ncc2)NCC(CO)(C)C)ccnc3OC(C)C)ccc(F)c1 49830612 1 NB2011_Metz 5.1 0 0 1 100% 0 WIHAOLDOGQOGIU-UHFFFAOYSA-N Fc1c(c2nc3n(c2c2nc(ncc2)NCC(CO)(C)C)cc(nc3C)C)ccc(F)c1 49830613 1 NB2011_Metz 5.1 0 0 1 100% 0 ICDHVAJOGIGIOI-UHFFFAOYSA-N Clc1nccn2c(c(nc12)c1ccc(F)cc1)c1nc(ncc1)NCC(CO)(C)C 49830614 1 NB2011_Metz 5.1 0 0 1 100% 0 OTQSCDWPCPZRIU-UHFFFAOYSA-N Fc1c(c2nc3n(c2c2nc(ncc2)NCC(O)(C)C)ccnc3OC(C)C)ccc(F)c1 49830615 1 NB2011_Metz 5.1 0 0 1 100% 0 SXBYKNSSEVQWPL-UHFFFAOYSA-N Fc1c(c2nc3n(c2c2nc(ncc2)NCC(O)(C)C)ccnc3CC2CC2)ccc(F)c1 25016360 1 NB2011_Metz 5.1 0 0 1 100% 0 KKWLJUDRBFHJPA-UHFFFAOYSA-N Fc1c(c2nc3n(c2c2nc(ncc2)NCC(O)(C)C)ccnc3CC)ccc(F)c1 25016361 1 NB2011_Metz 5.1 0 0 1 100% 0 FXGYCYAFWHJUAS-UHFFFAOYSA-N Fc1c(c2nc3n(c2c2nc(ncc2)NCC(C(=O)O)(C)C)ccnc3C)ccc(F)c1 49830616 1 NB2011_Metz 5.1 0 0 1 100% 0 OVKIYZXGCCAIJG-UHFFFAOYSA-N Fc1ccc(c2nc3n(c2c2nc(ncc2)NCC(CO)(C)C)ccnc3OC)cc1 49830617 1 NB2011_Metz 5.1 0 0 1 100% 0 DDDPTRGZLJPPQR-UHFFFAOYSA-N Fc1ccc(c2nc3n(c2c2nc(ncc2)NCC(CO)(C)C)ccnc3OCC(C)C)cc1 49830618 1 NB2011_Metz 5.1 0 0 1 100% 0 VIOYJEOXCCYVDO-UHFFFAOYSA-N Fc1ccc(c2nc3n(c2c2nc(ncc2)NCC(CO)(C)C)ccnc3C)cc1 15981404 1 NB2011_Metz 5.1 0 0 1 100% 0 WYBGYJNIKOAPQI-UHFFFAOYSA-N Fc1c(c2nc3n(c2c2nc(ncc2)NCC(CO)(C)C)ccnc3C)ccc(F)c1 16050450 1 NB2011_Metz 5.1 0 0 1 100% 0 YNJWXJNPKHJFBE-UHFFFAOYSA-N Fc1ccc(c2nc3n(c2c2nc(ncc2)NCC(CO)(C)C)ccnc3NC)cc1 49830619 1 NB2011_Metz 5.1 0 0 1 100% 0 PBBRWFOVCUAONR-UHFFFAOYSA-N Clc1ccc(c2nn(c3ncnc(N)c23)C(C)(C)C)cc1 4878 1 NB2011_Metz 0 0 0 1 100% 0 NVRXTLZYXZNATH-UHFFFAOYSA-N n1(nc(c2c1ncnc2N)c1cc2c(nc1)[nH]cc2)C1CCCC1 24905142 1 NB2011_Metz 0 0 0 1 100% 0 ZVPDNRVYHLRXLX-UHFFFAOYSA-N n1(nc(c2c1ncnc2N)c1ccc(cc1)C)C(C)(C)C 1400 1 NB2011_Metz 5.1 0 0 1 100% 0 CFIBXVQLBVNOHW-UHFFFAOYSA-N o1c2c(nc1Nc1ccc(c3nn(c4ncnc(N)c34)C3CCC(OCCOC)CC3)cc1)cc(cc2C)C 49830620 1 NB2011_Metz 5.1 0 0 1 100% 0 NFKMFNBKEOQNPZ-UHFFFAOYSA-N Clc1c2oc(nc2cc(c1)C)Nc1ccc(c2nn(c3ncnc(N)c23)C2CCC(OCCOC)CC2)cc1 49830621 1 NB2011_Metz 5.4 0 0 1 100% 0 IJRBJCMLWLFMIN-UHFFFAOYSA-N O=C(c1cc(c2cc3c(nc2)[nH]cc3)ccc1)C 49830622 1 NB2011_Metz 5.1 0 0 1 100% 0 RPGBQFNDFPEOON-UHFFFAOYSA-N Ic1nn(c2ncnc(N)c12)C1CCC(O)CC1 49830624 1 NB2011_Metz 5.1 0 0 1 100% 0 LDGFTLHOBZCPLF-UHFFFAOYSA-N Brc1cc2nc(oc2c(c1)C)Nc1ccc(c2nn(c3ncnc(N)c23)C2CCC(OCCOC)CC2)cc1 49830625 1 NB2011_Metz 0 0 0 1 100% 0 ZHJBAEFYMAHRNP-UHFFFAOYSA-N Clc1cc2nc(oc2cc1)Nc1c(F)cc(c2nn(c3ncnc(N)c23)C2CCC(OCCOC)CC2)cc1 49830626 1 NB2011_Metz 0 0 0 1 100% 0 DMSXWHFOVKIEKR-UHFFFAOYSA-N Clc1cc2nc(oc2c(c1)C)Nc1c(F)cc(c2nn(c3ncnc(N)c23)C2CCC(OCCOC)CC2)cc1 49830627 1 NB2011_Metz 0 0 0 1 100% 0 MHRZYVYAAMLZJC-UHFFFAOYSA-N O=C(NCc1cnccc1)NCCCCCCNC(=O)NCc1cnccc1 3099034 1 NB2011_Metz 5.1 0 0 1 100% 0 SZBUKBINUVLFEL-UHFFFAOYSA-N O(c1nc(cc(N)c1C#N)C(=O)NCc1cnccc1)CC 11846126 1 NB2011_Metz 5.1 0 0 1 100% 0 ITCZKQCXYLHNFX-UHFFFAOYSA-N O=C(Nc1cnccc1)NCCCCCCNC(=O)Nc1cnccc1 3089072 1 NB2011_Metz 5.1 0 0 1 100% 0 CXBBWVXSZINRCS-UHFFFAOYSA-N Brc1ccc(c2c3c(sc2)c(cnc3N)C=CC(=O)NCCCn2cncc2)cc1 49830628 1 NB2011_Metz 5.1 0 0 1 100% 0 QNZJDYVERIAXAI-UHFFFAOYSA-N Clc1cc2c3nc[nH]c(=O)c3oc2cc1 135451585 1 NB2011_Metz 5.1 0 0 1 100% 0 FAIHBCXQSBIRIL-UHFFFAOYSA-N O=c1[nH]c(nc(c2ccncc2)c1)NC1CCCCC1 136027062 1 NB2011_Metz 5.3 0 0 1 100% 0 WLDOAHGSNVRGSC-UHFFFAOYSA-N O=c1n2n(cc(c2nc(c1)c1ccncc1)c1ccccc1)C 49830630 1 NB2011_Metz 0 0 0 1 100% 0 IKIFANJBLBFWHU-UHFFFAOYSA-N O=c1n2[nH]cc(c2nc(c1)c1ccncc1)C(=O)OCC 49830631 1 NB2011_Metz 0 0 0 1 100% 0 SDTHQOXRWZXTJF-UHFFFAOYSA-N S(=O)(=O)(c1cc(Nc2nc(c3c(OC)cccc3)ccn2)ccc1)C 49830632 1 NB2011_Metz 0 0 0 1 100% 0 RVVTUSAJTOJUOB-UHFFFAOYSA-N n12c(nc(c1)c1ccccc1)ccnc2N 49830633 1 NB2011_Metz 0 0 0 1 100% 0 SVKRXVXLNOBMGS-UHFFFAOYSA-N Fc1c(C(=O)Nc2cc(c3nn4c(c3c3nc(ncc3)Nc3cc5c(cc3)CCNC5)cccc4)ccc2)c(F)ccc1 11519818 1 NB2011_Metz 0 0 0 1 100% 0 DMEGQEWPMXDRMO-UHFFFAOYSA-N n1c(c2ccccc2)ccnc1N 598777 1 NB2011_Metz 0 0 0 1 100% 0 JZTOUVBEZONDKA-UHFFFAOYSA-N O=C(N)c1ncc(nc1Nc1cc(ccc1)C)NC1C(N)CCCC1 22665513 1 NB2011_Metz 6.9 1 1 0 100% 1 MMFBBQQGBVPLQQ-UHFFFAOYSA-N Clc1cc(Nc2nc(NC3C(N)CCCC3)ccc2C(=O)N)ccc1 9928802 1 NB2011_Metz 0 0 0 1 100% 0 REGDEOBNDJFQGX-UHFFFAOYSA-N N(c1cc2[nH]ncc2cc1)c1nc(NC2CCCCC2)ccn1 49830634 1 NB2011_Metz 0 0 0 1 100% 0 UEIRKXUBXCSHJE-UHFFFAOYSA-N O=C(O)c1c2c(nc3c1cccc3)C(=C1CCCC1)CC2 4982682 1 NB2011_Metz 5.1 0 0 1 100% 0 NLDZIKOJZCTRAZ-UHFFFAOYSA-N [nH]1nc(c2c1c1c(C2)ccc(c1)C#CCN(CC)CC)c1cnc(cc1)C#N 49830635 1 NB2011_Metz 5.1 0 0 1 100% 0 UTQPKPHUIMHAAN-UHFFFAOYSA-N s1cc(c2n[nH]c3c2Cc2c3ccc(c2)CN2CCN(CC2)C)cc1C#CCOCC1CC1 49830636 1 NB2011_Metz 5.2 0 0 1 100% 0 YACXOXQTGJXYNX-UHFFFAOYSA-N s1cc(c2n[nH]c3c2C(=O)c2c3ccc(c2)CN2CCN(CC2)C)cc1C#CCOCCOC 16220223 1 NB2011_Metz 5.1 0 0 1 100% 0 WUBHCQHBUVGGRX-UHFFFAOYSA-N O(c1cc2c3[nH]nc(c3Cc2cc1)c1cnc(cc1)C#N)CCCCN1CCOCC1 24180596 1 NB2011_Metz 5.1 0 0 1 100% 0 LDHYCINFJPCBRY-UHFFFAOYSA-N s1c(c2n[nH]c3c2Cc2c3cccc2C#CCOC)ccc1 49830637 1 NB2011_Metz 0 0 0 1 100% 0 WOTLXQZLXOXMFD-UHFFFAOYSA-N O(c1cc2c3[nH]nc(c3Cc2cc1C#C)c1cnc(cc1)C#N)C 49830638 1 NB2011_Metz 5.1 0 0 1 100% 0 YGJKHDBRTOPTNK-UHFFFAOYSA-N O(c1cc2c3[nH]nc(c3Cc2cc1)c1cnc(cc1)C#N)CCCN1CCN(C(=O)NC)CC1 49830639 1 NB2011_Metz 5.1 0 0 1 100% 0 SRROIPFGGDHJCJ-UHFFFAOYSA-N O(c1cc2c3[nH]nc(c3Cc2cc1)c1cnc(cc1)C#N)CCN1CCOCC1 44442347 1 NB2011_Metz 5.1 0 0 1 100% 0 KOHNRDPXFDZZJF-UHFFFAOYSA-N s1c(n2c3c(nc2N)ccc(c3)C#N)nc(c1)c1ccccc1 49830641 1 NB2011_Metz 5.1 0 0 1 100% 0 DVWFMBFZDOBWAD-UHFFFAOYSA-N s1c(n2c3c(nc2N)ccc(c3)C#N)ncc1 49830642 1 NB2011_Metz 0 0 0 1 100% 0 XCVOMKXWDRSPAQ-UHFFFAOYSA-N s1c(n2c3c(nc2N)ccc(c3)C#N)nc2c1CCCC2 49830643 1 NB2011_Metz 0 0 0 1 100% 0 RSFBNWZRZYKDMI-UHFFFAOYSA-N s1c(c2nc(NC(=N)NCc3c(OC)cccc3)ncc2)ccc1 49830644 1 NB2011_Metz 0 0 0 1 100% 0 UGUZOLHBLLTLBA-UHFFFAOYSA-N O=C(Nc1n(nc(c1)C(C)(C)C)c1cc(C(=O)N(CCN)CC)ccc1)Nc1c2c(ccc1)cccc2 49830645 1 NB2011_Metz 0 0 0 1 100% 0 NOBMKUVHFRVBES-UHFFFAOYSA-N O=C(Nc1n(nc(c1)C(C)(C)C)c1cc(ccc1)C(=O)NCCN(CC)CC)Nc1c2c(ccc1)cccc2 46945066 1 NB2011_Metz 0 0 0 1 100% 0 WKGPOKDJNBFTIF-UHFFFAOYSA-N O=C(Nc1n(nc(c1)C(C)(C)C)c1ccc(OCCC(=O)N)cc1)C(=O)c1c2c(ccc1)cccc2 49830647 1 NB2011_Metz 0 0 0 1 100% 0 STUPRWVTVIXNLF-UHFFFAOYSA-N O=C(Nc1n(nc(c1)C(C)(C)C)c1cc(C(=O)N(C(C)C)CCCN)ccc1)Nc1c2c(ccc1)cccc2 49830648 1 NB2011_Metz 0 0 0 1 100% 0 JOSAUBBWIOXPSJ-UHFFFAOYSA-N O=C(Nc1n(nc(c1)C(C)(C)C)c1cc(C(=O)N(CCOC)C)ccc1)Nc1c2c(ccc1)cccc2 49830649 1 NB2011_Metz 0 0 0 1 100% 0 OUHZERPTTDHQIV-UHFFFAOYSA-N O=C(Nc1n(nc(c1)C(C)(C)C)c1ccc(OCC(=O)N)cc1)C(=O)c1c2c(ccc1)cccc2 49830650 1 NB2011_Metz 0 0 0 1 100% 0 AGSASGLZNILGCY-UHFFFAOYSA-N O=C(Nc1n(nc(c1)C(C)(C)C)c1cc(ccc1)C(=O)NCCCCN(C)C)Nc1c2c(ccc1)cccc2 49830651 1 NB2011_Metz 0 0 0 1 100% 0 CCGONFUHNLRGRE-UHFFFAOYSA-N O=C(Nc1n(nc(c1)C(C)(C)C)c1ccc(OCC(=O)NCCO)cc1)C(=O)c1c2c(ccc1)cccc2 49830652 1 NB2011_Metz 0 0 0 1 100% 0 KDLLVDABAMKMLD-UHFFFAOYSA-N O=C(Nc1n(nc(c1)C(C)(C)C)c1cc(C(=O)N(CCCN(C)C)C)ccc1)Nc1c2c(ccc1)cccc2 49830653 1 NB2011_Metz 0 0 0 1 100% 0 DADQIQQXJSXLAV-UHFFFAOYSA-N O=C(Nc1n(nc(c1)C(C)(C)C)c1cc(C(=O)N(CCN)C)ccc1)Nc1c2c(ccc1)cccc2 49830654 1 NB2011_Metz 0 0 0 1 100% 0 PCJHPHMTYUXSBH-UHFFFAOYSA-N O=C(Nc1n(nc(c1)C(C)(C)C)c1cc(ccc1)C(=O)NCCCO)Nc1c2c(ccc1)cccc2 46945263 1 NB2011_Metz 0 0 0 1 100% 0 KUVNSIJSYBSMJX-UHFFFAOYSA-N O=C(Nc1n(nc(c1)C(C)(C)C)c1cc(ccc1)C(=O)NCCOCCO)Nc1c2c(ccc1)cccc2 49830655 1 NB2011_Metz 0 0 0 1 100% 0 IZAGQAWPQKJTHN-UHFFFAOYSA-N O=C(Nc1n(nc(c1)C(C)(C)C)c1cc(ccc1)C(=O)NCCCCO)Nc1c2c(ccc1)cccc2 49830656 1 NB2011_Metz 0 0 0 1 100% 0 XMEBXAAIDQRNQS-UHFFFAOYSA-N O=C(Nc1n(nc(c1)C(C)(C)C)c1cc(C(=O)N(CCO)CCN)ccc1)Nc1c2c(ccc1)cccc2 49830657 1 NB2011_Metz 0 0 0 1 100% 0 SNPDDTDGUJYLJZ-UHFFFAOYSA-N O=C(Nc1n(nc(c1)C(C)(C)C)c1cc(C(=O)N(CCN(C)C)CC)ccc1)Nc1c2c(ccc1)cccc2 49830658 1 NB2011_Metz 0 0 0 1 100% 0 LQRBZQWMQBTWDI-UHFFFAOYSA-N O=C(Nc1n(nc(c1)C(C)(C)C)c1cc(OCC(=O)O)ccc1)C(=O)c1c2c(ccc1)cccc2 49830659 1 NB2011_Metz 0 0 0 1 100% 0 LAFJLZWDOZQPGO-UHFFFAOYSA-N O=C(Nc1n(nc(c1)C(C)(C)C)c1cc(OCC(=O)NCCO)ccc1)C(=O)c1c2c(ccc1)cccc2 49830660 1 NB2011_Metz 0 0 0 1 100% 0 AWKZEYXIJBNHRM-UHFFFAOYSA-N O=C(Nc1n(nc(c1)C(C)(C)C)c1ccc(OCC(=O)O)cc1)C(=O)c1c2c(ccc1)cccc2 49830661 1 NB2011_Metz 0 0 0 1 100% 0 XBDMVBZCUOVOQX-UHFFFAOYSA-N O=C(Nc1n(nc(c1)C(C)(C)C)c1ccc(OCCC(=O)O)cc1)C(=O)c1c2c(ccc1)cccc2 49830662 1 NB2011_Metz 0 0 0 1 100% 0 DILZQOYOWSNWDQ-UHFFFAOYSA-N O=C(Nc1n(nc(c1)C(C)(C)C)c1cc(ccc1)C(=O)NCC#N)Nc1c2c(ccc1)cccc2 49830663 1 NB2011_Metz 5.1 0 0 1 100% 0 LAPIRDNRRNJJNM-UHFFFAOYSA-N O=C(Nc1n(nc(c1)C(C)(C)C)c1cc(C(=O)NC(C(=O)N)CC(C)C)ccc1)Nc1c2c(ccc1)cccc2 49830664 1 NB2011_Metz 0 0 0 1 100% 0 LJSRHOUVQCJACV-UHFFFAOYSA-N s1c(C(=O)Nc2n(nc(c2)C(C)(C)C)c2ccc(OCC(=O)O)cc2)cc2c1cccc2 49830665 1 NB2011_Metz 0 0 0 1 100% 0 DYCSZTQUCKCMME-UHFFFAOYSA-N s1c(C(=O)Nc2n(nc(c2)C(C)(C)C)c2cc(OCC(=O)O)ccc2)cc2c1cccc2 49830666 1 NB2011_Metz 0 0 0 1 100% 0 KYJVTVJLGYDBGQ-UHFFFAOYSA-N O=C(Nc1n(nc(c1)C(C)(C)C)c1cc(ccc1)C(=O)NCCCCC(=O)O)Nc1c2c(ccc1)cccc2 49830667 1 NB2011_Metz 0 0 0 1 100% 0 KUGISNGUKOTYLF-UHFFFAOYSA-N O=C(Nc1n(nc(c1)C(C)(C)C)c1cc(C(=O)N(CCC#N)C)ccc1)Nc1c2c(ccc1)cccc2 49830668 1 NB2011_Metz 0 0 0 1 100% 0 MUVIGRWGFVEPMC-UHFFFAOYSA-N O=C(Nc1n(nc(c1)C(C)(C)C)c1cc(C(=O)NC(CC(C)C)CO)ccc1)Nc1c2c(ccc1)cccc2 49830669 1 NB2011_Metz 0 0 0 1 100% 0 QKUFEXGLTQADSA-UHFFFAOYSA-N s1c2ncnc(N)c2c(c2ccccc2)c1 15314692 1 NB2011_Metz 0 0 0 1 100% 0 AYJBHLUSGLQYDG-UHFFFAOYSA-N Fc1c(NC(=O)Nc2ccc(c3c4c([nH]nc4N)ccc3)cc2)cc(cc1)CO 49830670 1 NB2011_Metz 5.1 0 0 1 100% 0 KWSZYBNXNYRQCC-UHFFFAOYSA-N Brc1sc2ncnc(N)c2c1c1ccc(NC(=O)Cc2cc(Cl)ccc2)cc1 49830671 1 NB2011_Metz 5.1 0 0 1 100% 0 BHSOPYVVEZFHDB-UHFFFAOYSA-N Clc1c(OC)ccc(NC(=O)Nc2ccc(c3c4c(onc4N)ccc3)cc2)c1 11407183 1 NB2011_Metz 5.1 0 0 1 100% 0 SJMFZIGFOIPNPE-UHFFFAOYSA-N Fc1c(c2c3c([nH]nc3N)ccc2)ccc(NC(=O)Nc2cc(c(F)cc2)C)c1 49830672 1 NB2011_Metz 0 0 0 1 100% 0 XAHJIRNRDAKTEF-UHFFFAOYSA-N Fc1c(NC(=O)Nc2ccc(c3c4c([nH]nc4N)ccc3)cc2)cc(cc1)C(=O)O 49830673 1 NB2011_Metz 5.1 0 0 1 100% 0 GSYNTOXSBKQRAW-UHFFFAOYSA-N Clc1cc(NC(=O)Nc2ccc(c3c4c([nH]nc4N)c(OCCCn4cccc4)cc3)cc2)ccc1 49830674 1 NB2011_Metz 0 0 0 1 100% 0 ZBYGBITZFKOQTA-UHFFFAOYSA-N Brc1nc2c([nH]c(c3c4c(n(c3)C)ccc(OC)c4)c2)nc1 49830675 1 NB2011_Metz 0 0 0 1 100% 0 QBKUOOQFSVMDPB-UHFFFAOYSA-N Brc1nc2c([nH]c(c3c4c(n(c3)C)ccc(F)c4)c2)nc1 49830676 1 NB2011_Metz 0 0 0 1 100% 0 BKBCSMDCCAWWNC-UHFFFAOYSA-N Brc1nc2c([nH]c(c3c4c(n(c3)C)cccc4)c2)nc1 49830677 1 NB2011_Metz 0 0 0 1 100% 0 MIJMZVTYIXYSDK-UHFFFAOYSA-N O(c1cc2c(c3[nH]c4nccnc4c3)cn(c2cc1)C)C 9860448 1 NB2011_Metz 0 0 0 1 100% 0 OBHMNLIBIPFXCY-UHFFFAOYSA-N S(=O)(=O)(Nc1nc(cc(n1)c1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N)cc1 49830678 1 NB2011_Metz 0 0 0 1 100% 0 LQAZRKSHDVHFCS-UHFFFAOYSA-N S(=O)(=O)(Nc1c(O)c2c(cc1)cccc2)c1ccc(F)cc1 49830679 1 NB2011_Metz 0 0 0 1 100% 0 VHCRLTJPUNUZRN-UHFFFAOYSA-N Brc1cc2[nH]c(=O)[nH]c2nc1 1924413 1 NB2011_Metz 0 0 0 1 100% 0 JUTMUSMWCYHBGU-UHFFFAOYSA-N Clc1cc2nccc(NC(=O)Nc3nc(C(F)(F)F)ccc3)c2cc1 49830680 1 NB2011_Metz 0 0 0 1 100% 0 BOVQIKHARODWQD-UHFFFAOYSA-N Clc1cc2c(NC(=O)Nc3nc(C(F)(F)F)ccc3)ccnc2cc1 49830681 1 NB2011_Metz 0 0 0 1 100% 0 YNUMBZPWLHDVEX-UHFFFAOYSA-N FC(F)(F)c1cc2nccc(NC(=O)Nc3nc(ccc3)C#N)c2cc1 49830682 1 NB2011_Metz 0 0 0 1 100% 0 YGKFZWJWKPZPQM-UHFFFAOYSA-N Oc1c2c(c(NC(=O)Nc3nccnc3)ccc2)ccc1 136027063 1 NB2011_Metz 0 0 0 1 100% 0 YEKVTSRZMPLPFK-UHFFFAOYSA-N FC(F)(F)c1nc(NC(=O)Nc2c3c(ncc2)ccc(c3)C)ccc1 49830685 1 NB2011_Metz 5.1 0 0 1 100% 0 AMVPASHAQNNOFN-UHFFFAOYSA-N FC(F)(F)c1nc(NC(=O)Nc2c3c(ncc2)ccc(F)c3)ccc1 49830686 1 NB2011_Metz 0 0 0 1 100% 0 PJGVHNKOSZHYJP-UHFFFAOYSA-N FC(F)(F)c1nc(NC(=O)Nc2c3c(ncc2)cc(F)cc3)ccc1 49830687 1 NB2011_Metz 0 0 0 1 100% 0 ZIVDOOQUJQJBDA-UHFFFAOYSA-N FC(F)(F)c1nc(NC(=O)Nc2c3c(ncc2)ccc(c3)CC)ccc1 49830688 1 NB2011_Metz 0 0 0 1 100% 0 FPLAQCFCGCSDRB-UHFFFAOYSA-N FC(F)(F)c1nc(NC(=O)Nc2c3c(ncc2)cc(OC(F)F)cc3)ccc1 49830689 1 NB2011_Metz 0 0 0 1 100% 0 WRZNQKSBJJKEBD-UHFFFAOYSA-N FC(F)(F)c1nc(NC(=O)Nc2c3c(ncc2)cc(cc3)CC)ccc1 49830690 1 NB2011_Metz 0 0 0 1 100% 0 VEZQCXWMPWTPJL-UHFFFAOYSA-N O1CC2C(CN(c3cc4c(nccc4NC(=O)Nc4nccnc4)cc3)C2)C1 44247753 1 NB2011_Metz 0 0 0 1 100% 0 VJKJKZOWXJKSSK-UHFFFAOYSA-N Fc1cc2c(nccc2NC(=O)Nc2nc(C(F)(F)F)ccc2)cc1F 49830691 1 NB2011_Metz 0 0 0 1 100% 0 ZAEAGGGBPKOFMY-UHFFFAOYSA-N Fc1c2c(nccc2NC(=O)Nc2nc(C(F)(F)F)ccc2)c(F)cc1 49830692 1 NB2011_Metz 0 0 0 1 100% 0 RQJIDUOCLNMUHR-UHFFFAOYSA-N FC(F)(F)c1nc(NC(=O)Nc2c3c(ncc2)c(F)ccc3)ccc1 49830693 1 NB2011_Metz 5.1 0 0 1 100% 0 JFGACSUTAMZDKC-UHFFFAOYSA-N Clc1c2nccc(NC(=O)Nc3nc(C(F)(F)F)ccc3)c2ccc1Cl 49830694 1 NB2011_Metz 5.1 0 0 1 100% 0 GHAZVJQMLWOQLP-UHFFFAOYSA-N FC(F)(F)c1cc2c(nccc2NC(=O)Nc2nccnc2)cc1 24858859 1 NB2011_Metz 5.2 0 0 1 100% 0 YTIZDTKSGSSUMG-UHFFFAOYSA-N Clc1c(cc(OC)c(NC(=O)Nc2ncc(nc2)C#N)c1)C=O 23646813 1 NB2011_Metz 5.1 0 0 1 100% 0 CACMTVGXYAZZNY-UHFFFAOYSA-N O=C(Nc1cc2c(cc(cc2)C(=O)O)cc1)Nc1ncc(nc1)C#N 45269554 1 NB2011_Metz 5.1 0 0 1 100% 0 NSDIHUXUFJHXRA-UHFFFAOYSA-N Fc1c2nccc(NC(=O)Nc3nccnc3)c2ccc1 24859296 1 NB2011_Metz 5.1 0 0 1 100% 0 FGLPGUCHBHILNS-UHFFFAOYSA-N FC(F)(F)c1c2nccc(NC(=O)Nc3nccnc3)c2ccc1 24859013 1 NB2011_Metz 5.1 0 0 1 100% 0 LNIDFQVRZCDVBI-UHFFFAOYSA-N O=C(Nc1c2c(ncc1)cccc2)Nc1nccnc1 24772168 1 NB2011_Metz 5.1 0 0 1 100% 0 UWQBVYXTLXNIOO-UHFFFAOYSA-N FC(F)(F)c1cc2nccc(NC(=O)Nc3nccnc3)c2cc1 24858860 1 NB2011_Metz 5.1 0 0 1 100% 0 UQJQNZHGEVLHST-UHFFFAOYSA-N Brc1nc(NC(=O)Nc2c3c(ncc2)cc(OC)cc3)ccc1 49830695 1 NB2011_Metz 5.1 0 0 1 100% 0 BPJQSSSZFGZEOF-UHFFFAOYSA-N Clc1c(cc(OC)c(NC(=O)Nc2ncc(nc2)C#N)c1)C 49830696 1 NB2011_Metz 5.1 0 0 1 100% 0 KGCRKAITGGKXHI-UHFFFAOYSA-N Fc1c2nccc(NC(=O)Nc3nccnc3)c2cc(F)c1 24859158 1 NB2011_Metz 0 0 0 1 100% 0 JOZIXEURKWTTSA-UHFFFAOYSA-N FC(F)(F)c1nc(NC(=O)Nc2c3c(ncc2)ccc(c3)C#CC)ccc1 49830697 1 NB2011_Metz 0 0 0 1 100% 0 MJCKUHBSAUHVJE-UHFFFAOYSA-N FC(F)(F)c1c2nccc(NC(=O)Nc3nc(N4CCOCC4)ccc3)c2ccc1 24859161 1 NB2011_Metz 5.1 0 0 1 100% 0 SZALFSTUDMTGGL-UHFFFAOYSA-N FC(F)(F)c1cc(NC(=O)Nc2c3c(ncc2)cc(OC)cc3)ncc1 49830698 1 NB2011_Metz 5.1 0 0 1 100% 0 QTTYXMRMIOCNGZ-UHFFFAOYSA-N FC(F)(F)c1cc2nccc(NC(=O)Nc3ncc(cc3)C#N)c2cc1 49830699 1 NB2011_Metz 5.1 0 0 1 100% 0 XFRYMFRHCLWJQY-UHFFFAOYSA-N FC(F)(F)c1cc2nccc(NC(=O)Nc3nc(C(F)(F)F)ccc3)c2cc1 49830700 1 NB2011_Metz 5.1 0 0 1 100% 0 OUORNBBPANSKFS-UHFFFAOYSA-N Clc1c2nccc(NC(=O)Nc3nc(C(F)(F)F)ccc3)c2ccc1 49830701 1 NB2011_Metz 5.1 0 0 1 100% 0 YBQVRQQJXBGPTB-UHFFFAOYSA-N Clc1c(cc(OC)c(NC(=O)Nc2ncc(nc2)C#N)c1)C(=O)O 49830702 1 NB2011_Metz 5.1 0 0 1 100% 0 FBWWNLBZZFVRQY-UHFFFAOYSA-N FC(F)(F)c1c2nccc(NC(=O)Nc3nc(C(F)(F)F)ccc3)c2ccc1 49830703 1 NB2011_Metz 5.1 0 0 1 100% 0 CJJKTILOCMYOOH-UHFFFAOYSA-N FC(F)(F)c1nc(NC(=O)Nc2c3c(ncc2)ccc(c3)CCC)ccc1 49830704 1 NB2011_Metz 0 0 0 1 100% 0 JJGSOVIZOMZMCS-UHFFFAOYSA-N O=C(N(CCC#N)CCCC)c1cc2[nH]c(nc2cc1)c1n[nH]c2c1cccc2 136027065 1 NB2011_Metz 0 0 0 1 100% 0 VBLSURYSSDEOBD-UHFFFAOYSA-N Brc1cc2c(n[nH]c2cc1)c1[nH]c2c(n1)ccc(c2)C(C)(C)C 136027066 1 NB2011_Metz 0 0 0 1 100% 0 LWBSSNRDDDFHSH-UHFFFAOYSA-N s1c(C(=O)NC(c2cc(OC)ccc2)C)cnc1c1ccncc1 49830708 1 NB2011_Metz 6.2 1 1 0 100% 1 AOFGEEDOUASHKV-UHFFFAOYSA-N O=C(NC(c1cc(OC)ccc1)C)c1cnc(nc1)c1ccncc1 49830709 1 NB2011_Metz 0 0 0 1 100% 0 PPVSBMMMLQOZTI-UHFFFAOYSA-N Clc1cc(c2nc(on2)c2ccc(CN3CC(C3)C(=O)O)cc2)ccc1OC(C)C 24824725 1 NB2011_Metz 0 0 0 1 100% 0 ASMBMGMEQLFISS-UHFFFAOYSA-N s1c(c(nc1c1ccncc1)C)C(=O)NC(c1cc(OC)ccc1)C 49830710 1 NB2011_Metz 0 0 0 1 100% 0 MIKAKZKNMYZLDX-UHFFFAOYSA-N S(=O)(=O)(N(C1CC1)Cc1cc2n3c(c(=O)[nH]c2cc1)ccc3)C 49830711 1 NB2011_Metz 5.1 0 0 1 100% 0 JCFJQIHDZHHMQT-UHFFFAOYSA-N O=c1[nH]c2c(n3c1ccc3)ccc(c2)CN1C(=O)CCC1 45273796 1 NB2011_Metz 5.1 0 0 1 100% 0 MQAKXLBEDXFDMV-UHFFFAOYSA-N O=c1[nH]c2c(n3c1cc(c3)c1cc(OC)ccc1)cccc2 49830712 1 NB2011_Metz 5.1 0 0 1 100% 0 AARQVWKBXLBXFB-UHFFFAOYSA-N Clc1ccc(c2cn3c(c(=O)[nH]c4c3cccc4)c2)cc1 49830713 1 NB2011_Metz 0 0 0 1 100% 0 BJBWRYSCFKGCEC-UHFFFAOYSA-N O=c1[nH]c2c(n3c1ccc3)ccc(c2)C(=O)N1CCC(N)CC1 49830714 1 NB2011_Metz 0 0 0 1 100% 0 LUPCHAFIKZSOOK-UHFFFAOYSA-N S(=O)(=O)(NC1CC(c2n3c4c(ncc3cn2)[nH]cc4)C(C1)CC)C1CC1 49830715 1 NB2011_Metz 0 0 0 1 100% 0 FHIVNWJIENRJBH-UHFFFAOYSA-N O=C(N1CC(c2n3c4c(ncc3cn2)[nH]cc4)C(CC1)C)CC#N 49830716 1 NB2011_Metz 0 0 0 1 100% 0 SJLQDZDKTVBBLP-UHFFFAOYSA-N s1c(C(=O)NC(c2cc(OC)ccc2)C)ccc1c1ccncc1 49830717 1 NB2011_Metz 0 0 0 1 100% 0 ASMBMGMEQLFISS-HPRDVNIFSA-N s1c(c(nc1c1ccncc1)C)C(=O)NC(c1cc(OC([2H])([2H])[2H])ccc1)C 49830718 1 NB2011_Metz 0 0 0 1 100% 0 WHKWRDQKKUPBMN-UHFFFAOYSA-N Clc1ccc(CNc2nn3c(nnc3cc2)c2ccccc2)cc1 6620116 1 NB2011_Metz 5.1 0 0 1 100% 0 GPSRFACTNSQKSI-UHFFFAOYSA-N O(c1c(Nc2nn3c(nnc3cc2)c2ccccc2)cc(OC)cc1)C 49830719 1 NB2011_Metz 5.1 0 0 1 100% 0 XCOXIWXNKPXIEK-UHFFFAOYSA-N Clc1c(OC)cc(OC)c(Nc2nn3c(nnc3cc2)c2ccccc2)c1 49830720 1 NB2011_Metz 5.1 0 0 1 100% 0 PWNFEFRGKMPFSG-UHFFFAOYSA-N n12nc(NCc3ccc(cc3)C)ccc2nnc1c1ccccc1 2727469 1 NB2011_Metz 5.1 0 0 1 100% 0 WIZFHSAFKKUPRU-UHFFFAOYSA-N ON=C(c1nc2c([nH]1)cccc2)c1nc2c([nH]1)cccc2 910649 1 NB2011_Metz 0 0 0 1 100% 0 GHMRUNOHAHJNNA-UHFFFAOYSA-N Brc1c(C=C(c2nc3c([nH]2)cccc3)C#N)cc(OC)c(O)c1 2858224 1 NB2011_Metz 5.1 0 0 1 100% 0 KRWXTTZXSCKDAP-UHFFFAOYSA-N O(C(=O)Cc1nc2c([nH]1)cccc2N)CC 49830721 1 NB2011_Metz 0 0 0 1 100% 0 QDGLSWRAJBQROI-UHFFFAOYSA-N Oc1n(nc(c1)Cc1nc2c([nH]1)cccc2)c1ccccc1 - 1 NB2011_Metz 0 0 0 1 100% 0 LKCNOGUUCKOMBY-UHFFFAOYSA-N FC(F)(F)c1cc(COc2cc(c(CN3CC(C3)C(=O)O)cc2)C)ccc1 49830722 1 NB2011_Metz 0 0 0 1 100% 0 QKQYCTJIQVLCOH-UHFFFAOYSA-N Clc1c(CN2CC(C2)C(=O)O)ccc(OCc2ccccc2)c1 46872622 1 NB2011_Metz 0 0 0 1 100% 0 NKQKSPQAKIHFMF-UHFFFAOYSA-N Fc1c(CN2CC(C2)C(=O)O)ccc(OCc2cc(C(F)(F)F)ccc2)c1 49830723 1 NB2011_Metz 0 0 0 1 100% 0 DBFCGNXJRISFMI-UHFFFAOYSA-N Clc1c(CN2CC(C2)C(=O)O)ccc(OCc2cc(C(F)(F)F)ccc2)c1 49830724 1 NB2011_Metz 0 0 0 1 100% 0 MMSSKRQVKABMNA-UHFFFAOYSA-N FC(F)(F)c1cc(ccc1)COc1ccc(CN2CC(C2)C(=O)O)cc1 49830725 1 NB2011_Metz 0 0 0 1 100% 0 KVXUSGCDEMAYHI-UHFFFAOYSA-N s1c(c2ccccc2)cnc1Nc1nc(ncc1)NC(C)C 49830726 1 NB2011_Metz 0 0 0 1 100% 0 QCOULMVHIHJKFY-UHFFFAOYSA-N Brc1c(Nc2sc(cn2)C)nc(nc1)NC(C)C 49830727 1 NB2011_Metz 0 0 0 1 100% 0 OFGKHGRQQKNHAV-UHFFFAOYSA-N Clc1c(nc(nc1)NC(C(C)C)C)Nc1sccn1 49830728 1 NB2011_Metz 0 0 0 1 100% 0 CKVWQORGCCEYHS-UHFFFAOYSA-N O=C1C(=C(NC(C(C)(C)C)C)C1=O)Nc1nc(ncc1)Nc1cc(ccc1)C 49830729 1 NB2011_Metz 5.1 0 0 1 100% 0 RKKIDHHGKNGTQI-UHFFFAOYSA-N O=C1C(=C(NC(C(C)(C)C)C)C1=O)Nc1nc(Nc2cc(OC)c(OC)cc2)ncc1 49830730 1 NB2011_Metz 5.1 0 0 1 100% 0 IQNOGQGSOHNMCL-UHFFFAOYSA-N O=C1C(=C(Nc2ccncc2)C1=O)NC(C(C)(C)C)C 9881974 1 NB2011_Metz 5.1 0 0 1 100% 0 HHSVICUMCOBRPT-UHFFFAOYSA-N s1c2[nH]nc(c2cc1C(=O)NC)c1c(F)cccc1 49830731 1 NB2011_Metz 5.1 0 0 1 100% 0 NJHUNGSSNYHTPU-UHFFFAOYSA-N S(=O)(=O)(c1cc(c2c3n(nc2)c(cc(n3)c2ccccc2)C(=O)N)ccc1)C 49830732 1 NB2011_Metz 0 0 0 1 100% 0 PSYIYZGFPMXMSY-UHFFFAOYSA-N O=C(Nc1ccc(cc1)CO)c1c2n(nc1)c(c1ccccc1)ccn2 49830733 1 NB2011_Metz 0 0 0 1 100% 0 NIEIVFHQPZKLEN-UHFFFAOYSA-N O=C(N)c1c2n(nc1)c(c1ccccc1)ccn2 14501860 1 NB2011_Metz 0 0 0 1 100% 0 LYNVOOVFWQGCJC-UHFFFAOYSA-N O=C(Nc1cc(c(cc1)C)C)c1c2n(nc1)c(c1ccccc1)ccn2 49830734 1 NB2011_Metz 0 0 0 1 100% 0 DSQJKXZTHBIGFW-UHFFFAOYSA-N O=C(Nc1ccc(cc1)CC)c1c2n(nc1)c(c1ccccc1)ccn2 49830735 1 NB2011_Metz 0 0 0 1 100% 0 PSYVPXWWLKLHBA-UHFFFAOYSA-N FC(F)(F)c1c(OC(C)C)ccc(c2nc(on2)c2ccc(NC3CC(CC3)C(=O)O)cc2)c1 49830736 1 NB2011_Metz 0 0 0 1 100% 0 PEXKNSGOEOREKM-UHFFFAOYSA-N Brc1c2n(nc1)cc(c1ccc(OC)cc1)cn2 18732328 1 NB2011_Metz 5.1 0 0 1 100% 0 BUDUKLTWKFDUDT-UHFFFAOYSA-N Clc1cc(c2nc(on2)c2ccc(NC3CC(CC3)C(=O)O)cc2)ccc1OC(C)C 49830737 1 NB2011_Metz 5.1 0 0 1 100% 0 VKGWBEWIXJOVSR-UHFFFAOYSA-N Clc1cc(c2nc(on2)c2ccc(OCC(O)CO)cc2)ccc1OC(C)C 49830738 1 NB2011_Metz 5.1 0 0 1 100% 0 LKUJDAHYLPICSE-UHFFFAOYSA-N S(=O)(=O)(Nc1cc2nc(c(nc2cc1)C)C)c1ccc(N)cc1 49830739 1 NB2011_Metz 5.1 0 0 1 100% 0 SOVYWBOZOBVFLP-UHFFFAOYSA-N O=C1C(=C(NCc2cc(c(cc2)C)C)C1=O)Nc1ccncc1 25205919 1 NB2011_Metz 5.1 0 0 1 100% 0 LCKDESRGCHSHHO-UHFFFAOYSA-N Clc1ccc(CNC2=C(Nc3ccncc3)C(=O)C2=O)cc1 25206387 1 NB2011_Metz 5.8 0 0 1 100% 0 GCYXEGSPUDSZJY-UHFFFAOYSA-N s1c2c3C(=CNc4ccc(S(=O)(=O)Nc5ncccc5)cc4)C(=O)Nc3ccc2nc1 - 1 NB2011_Metz 5.9 0 0 1 100% 0 IYOZTVGMEWJPKR-UHFFFAOYSA-N O=C(Nc1ccncc1)C1CCC(CC1)C(N)C 5711 1 NB2011_Metz 6.1 1 1 0 100% 1 ASNQMAVHHGGQRB-UHFFFAOYSA-N O=C1C(=C(NCc2ccc(cc2)C)C1=O)Nc1ccncc1 25205762 1 NB2011_Metz 5.7 0 0 1 100% 0 KBRJIBFRLFVYJL-UHFFFAOYSA-N O=C1C(=C(NC(C2CCCCC2)C)C1=O)Nc1ccncc1 49830740 1 NB2011_Metz 5.1 0 0 1 100% 0 MCBPNFWHHNJTGN-UHFFFAOYSA-N O=C1C(=C(Nc2ccncc2)C1=O)NC(c1ccccc1)C 49830741 1 NB2011_Metz 5.1 0 0 1 100% 0 MJLKHAZEWYICMC-UHFFFAOYSA-N O=C(Nc1ccncc1)C1C(C1)(c1cc(ccc1)C)c1cc(ccc1)C 23996921 1 NB2011_Metz 5.7 0 0 1 100% 0 MISGYSWXLAXQAX-UHFFFAOYSA-N O=C(Nc1ccncc1)C1C(C1)(c1ccc(cc1)C)c1ccc(cc1)C 3104466 1 NB2011_Metz 0 0 0 1 100% 0 LRZYYIZFBXFSJB-UHFFFAOYSA-N s1c(c2c3[nH]ncc3cc(c3c4nc(ncc4n(c3)CCCN)N)c2)cc2c1cccc2 46224697 1 NB2011_Metz 6.5 1 1 0 100% 1 JPOSFPUHBHRUAX-UHFFFAOYSA-N s1c(c2c3[nH]ncc3cc(c3c4nc(ncc4n(c3)CCN)N)c2)cc2c1cccc2 46224684 1 NB2011_Metz 6.1 1 1 0 100% 1 IJNGXROUMFEKDB-UHFFFAOYSA-N s1c(c2c3[nH]ncc3cc(c3c4nc(ncc4n(c3)CC(=O)N)N)c2)cc2c1cccc2 49830742 1 NB2011_Metz 5.3 0 0 1 100% 0 QXKKPVVOOWBLND-UHFFFAOYSA-N Brc1cc2c(n[nH]c2cc1)c1ccccc1 623415 1 NB2011_Metz 5.1 0 0 1 100% 0 CKRAKRMXXGFGOZ-UHFFFAOYSA-N S(c1n(c(=O)c2c(n1)cccc2)C)C(c1ccccc1)C(=O)O 13438738 1 NB2011_Metz 0 0 0 1 100% 0 XJJYJNMNYDNXNO-UHFFFAOYSA-N Fc1c(c2nccc(c3[nH]c4c(c3)C(=O)NCC4)c2)cccc1 11992146 1 NB2011_Metz 5.1 0 0 1 100% 0 OHPRWVPOPFGLJG-UHFFFAOYSA-N Clc1ncc(OCC(N)C)cc1C=Cc1ccncc1 49830743 1 NB2011_Metz 5.9 0 0 1 100% 0 UMULGPSQNQMYNC-UHFFFAOYSA-N O(c1cc(cnc1)C=Cc1ccncc1)CC(N)Cc1ccccc1 49830744 1 NB2011_Metz 5.5 0 0 1 100% 0 BEJGILHFZNTYCX-UHFFFAOYSA-N O(c1cc(cnc1)C=Cc1ccncc1)C1CNCC1 49830747 1 NB2011_Metz 5.1 0 0 1 100% 0 ZMBDLCDLIZXFHY-UHFFFAOYSA-N O(c1cc(cnc1)C=Cc1ccncc1)CCN 49830748 1 NB2011_Metz 5.5 0 0 1 100% 0 KVYKDXMRLMPSGQ-UHFFFAOYSA-N O(c1cc(cnc1)C=Cc1ccncc1)CCCN 49830749 1 NB2011_Metz 5.1 0 0 1 100% 0 UPWCZNHPRXLPCZ-UHFFFAOYSA-N O(c1cc(C=Cc2ccncc2)cnc1)C 49830750 1 NB2011_Metz 5.1 0 0 1 100% 0 GUMIRECWDDFABT-UHFFFAOYSA-N Clc1cc2c3n(ncn3)c(=O)[nH]c2cc1 135976272 1 NB2011_Metz 0 0 0 1 100% 0 LSZUFMXSTJOZFE-UHFFFAOYSA-N Brc1cc2c3n(nc(n3)CC(=O)OCC)c(=O)[nH]c2cc1 136027067 1 NB2011_Metz 0 0 0 1 100% 0 ZVGVJHARPQUYQS-UHFFFAOYSA-N s1c2[nH]c(=O)n3nc(nc3c2c2c1CCCC2)c1ccccc1 136027068 1 NB2011_Metz 5.1 0 0 1 100% 0 HMKKDSBJGMESJD-UHFFFAOYSA-N s1c2[nH]c(=O)n3nc(nc3c2c2c1CCCC2)c1ccncc1 135515045 1 NB2011_Metz 5.1 0 0 1 100% 0 RYSOFKOEVPNDDI-UHFFFAOYSA-N s1c2[nH]c(=O)n3nc(nc3c2cc1)c1ccncc1 136027069 1 NB2011_Metz 5.1 0 0 1 100% 0 MONUZQWCBUZODF-UHFFFAOYSA-N s1c2[nH]c(=O)n3nc(nc3c2c(c1C)C)c1ccncc1 135655504 1 NB2011_Metz 0 0 0 1 100% 0 YRWZRNPWLKELTF-UHFFFAOYSA-N s1c2[nH]c(=O)n3nc(nc3c2c2c1CCCC2)c1cnccc1 135654401 1 NB2011_Metz 5.1 0 0 1 100% 0 AUDNGNGLLRZLDR-UHFFFAOYSA-N O=C(N)c1c2[nH]c(cc2c(NCCN)cc1)c1ccc(cc1)C 49830754 1 NB2011_Metz 0 0 0 1 100% 0 VTQQYBGURNVVFE-UHFFFAOYSA-N Brc1ccc(c2c3c(sc(c3)C(=O)N)cnc2)cc1 18516106 1 NB2011_Metz 0 0 0 1 100% 0 GUMBHNMWKMFKRT-UHFFFAOYSA-N s1c2c(c(c3ccc(F)cc3)cnc2)cc1C(=O)N 18516237 1 NB2011_Metz 5.1 0 0 1 100% 0 QAJPIJHWTGPUNZ-UHFFFAOYSA-N Clc1cc(F)c(c2[nH]c(cc2C(=O)N)c2nc(ncc2)N)cc1 24809834 1 NB2011_Metz 6.4 1 1 0 100% 1 CDMGBJANTYXAIV-UHFFFAOYSA-N S(=O)(c1ccc(c2nc(c([nH]2)c2ccncc2)c2ccc(F)cc2)cc1)C 176155 2 NB2011_Metz;BC2013_Millipore 5.1;105 0;0 0 2 100% 0 ATGVCJYHNOSZEV-UHFFFAOYSA-N n1(c2ncnc(N)c2c(c1)C#C)C1CCCC1 49830755 1 NB2011_Metz 0 0 0 1 100% 0 FDVSOQRNTAPCHB-UHFFFAOYSA-N O(c1ccc(c2c3c(n(c2)C2CCC(N4CCN(CC4)C)CC2)ncnc3N)cc1)c1ccccc1 6539952 1 NB2011_Metz 5.8 0 0 1 100% 0 SBWCIJOOABLPME-UHFFFAOYSA-N O1CC(n2c3ncnc(N)c3c(c2)c2ccc(Oc3ccc(cc3)CO)cc2)CC1 49830756 1 NB2011_Metz 0 0 0 1 100% 0 GQGMUKOYILWOIQ-UHFFFAOYSA-N O(c1cc(c2c3c(n(c2C)C2CC(C2)CN2CCCC2)ncnc3N)ccc1)Cc1ccccc1 49830757 1 NB2011_Metz 5.4 0 0 1 100% 0 DJOJKIGNNDWGRS-UHFFFAOYSA-N O(c1cc(c2c3c(n(c2C)C2CCC(N4CCCC4)CC2)ncnc3N)ccc1)Cc1ccccc1 9956874 1 NB2011_Metz 5.9 0 0 1 100% 0 ZHTVWJDQZBBZHV-UHFFFAOYSA-N O(c1cc(c2c3c(n(c2)C2CCC(N4CCCC4)CC2)ncnc3N)ccc1)Cc1ccccc1 10073297 1 NB2011_Metz 5.1 0 0 1 100% 0 LSFLAQVDISHMNB-UHFFFAOYSA-N O(c1cc(c2c3c(n(C4CC(C4)CN4CCCC4)c2)ncnc3N)ccc1)Cc1ccccc1 9825149 1 NB2011_Metz 5.4 0 0 1 100% 0 WYOMXSAYYXBPMN-UHFFFAOYSA-N s1c2[nH]nc(c2cc1C(=O)NCC1CCCCC1)c1ccccc1 49830758 1 NB2011_Metz 5.1 0 0 1 100% 0 RIBBPSYZBQQTQC-UHFFFAOYSA-N s1c2[nH]nc(c2cc1C(=O)NC1CCN(CC1)C)c1ccccc1 49830759 1 NB2011_Metz 5.1 0 0 1 100% 0 WVFWTUJEHMVUBG-UHFFFAOYSA-N Clc1ccc(CNC(=O)c2sc3[nH]nc(c3c2)c2ccccc2)cc1 49830760 1 NB2011_Metz 5.1 0 0 1 100% 0 OMKZJNFKGWJFNX-UHFFFAOYSA-N Clc1ccc(CCNC(=O)c2sc3[nH]nc(c3c2)C)cc1 49830761 1 NB2011_Metz 5.1 0 0 1 100% 0 OSYFIVGHFZBFOD-UHFFFAOYSA-N s1c2[nH]nc(c2cc1C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 49830762 1 NB2011_Metz 5.1 0 0 1 100% 0 ZVDDPXIWKBBCQE-UHFFFAOYSA-N Clc1c(OCC)nc(cc1N)C(=O)NCc1ccc(S(=O)(=O)C)cc1 16007116 1 NB2011_Metz 5.1 0 0 1 100% 0 AESRIYKYGWVZLI-UHFFFAOYSA-N Clc1ccc(c2cc(c3n[nH]c4nc(O)cc(c34)C)ccc2)cc1 136027070 1 NB2011_Metz 0 0 0 1 100% 0 PROLIXHVRCJEFH-UHFFFAOYSA-N O=C(N(c1ccc(Nc2nc(NC3CC3)c3nc[nH]c3n2)cc1)CC)C 49830764 1 NB2011_Metz 0 0 0 1 100% 0 FTKWFHKMPQIDLM-UHFFFAOYSA-N s1c2c(nc(nc2NCC(F)(F)F)Nc2ccc(cc2)C(=O)NCCC)cc1 49830765 1 NB2011_Metz 0 0 0 1 100% 0 UNVKXVCDLOLPJE-UHFFFAOYSA-N Clc1cc2sc(nc2cc1)NC(=O)c1c(OC)cc(OC)cc1 5057999 1 NB2011_Metz 5.1 0 0 1 100% 0 GKHIVNAUVKXIIY-UHFFFAOYSA-N O(c1cc(c2nc(Nc3cc4c([nH]nc4)cc3)c3c(n2)cccc3)ccc1)CC(=O)NC(C)C 11950170 1 NB2011_Metz 5.1 0 0 1 100% 0 ZBQOHMKSDBXJBL-UHFFFAOYSA-N o1nc(N)c2c(c3cc(ccc3)C)cccc12 49830766 1 NB2011_Metz 0 0 0 1 100% 0 AQZIXHSRFOGYHF-UHFFFAOYSA-N O=C(N1CCOCC1)c1cc(c2cc3c(nc2)[nH]cc3)ccc1 49830767 1 NB2011_Metz 5.1 0 0 1 100% 0 GQVOLDFSBVIZQO-UHFFFAOYSA-N Clc1c(N2CCOCC2)ccc(Nc2nc3[nH]ccc3c(n2)CC(C)C)c1 49830768 1 NB2011_Metz 0 0 0 1 100% 0 FOXLXMLEOCIUHE-UHFFFAOYSA-N Clc1c(N2CCOCC2)ccc(Nc2nc3[nH]ccc3c(n2)CC)c1 49830769 1 NB2011_Metz 0 0 0 1 100% 0 ZHNDVKCPJRLARD-UHFFFAOYSA-N Brc1cc(S(=O)(=O)Nc2cc3c(c4c(C3=NO)cccc4)cc2)ccc1 49830770 1 NB2011_Metz 0 0 0 1 100% 0 WRRLCKCZMMPCBS-UHFFFAOYSA-N S(=O)(=O)(Nc1cc2c(c3c(C2=NO)cccc3)cc1)C 49830771 1 NB2011_Metz 0 0 0 1 100% 0 PQUNEYJUWFRWRP-UHFFFAOYSA-N S(=O)(=O)(Nc1cc2c(c3c(C2=NO)cccc3)cc1)CC 49830772 1 NB2011_Metz 0 0 0 1 100% 0 KLJHWMRQVFONEN-UHFFFAOYSA-N S(=O)(=O)(Nc1cc2c(c3c(C2=NO)cccc3)cc1)CCC 49830773 1 NB2011_Metz 0 0 0 1 100% 0 UICFBGNGAIMXNF-UHFFFAOYSA-N S(=O)(=O)(Nc1cc2c(c3c(C2=NO)cccc3)cc1)CCCC 49830774 1 NB2011_Metz 0 0 0 1 100% 0 OFNVBEJIAOUXJO-UHFFFAOYSA-N S(=O)(=O)(Nc1cc2c(c3c(C2=NO)cccc3)cc1)c1cc(F)ccc1 49830775 1 NB2011_Metz 0 0 0 1 100% 0 IWKRMYPMEYTIEG-UHFFFAOYSA-N S(=O)(=O)(Nc1cc2c(c3c(C2=NO)cccc3)cc1)c1c(C(=NO)N)cccc1 49830777 1 NB2011_Metz 0 0 0 1 100% 0 HUIHLSDJNYBMSR-UHFFFAOYSA-N S(=O)(=O)(Nc1cc2c(c3c(C2=NO)cccc3)cc1)c1cc(ccc1)C(=NO)N 49830778 1 NB2011_Metz 0 0 0 1 100% 0 GRVAQRJHHUVDRV-UHFFFAOYSA-N Clc1cc(S(=O)(=O)Nc2cc3c(c4c(C3=NO)cccc4)cc2)ccc1 49830779 1 NB2011_Metz 0 0 0 1 100% 0 RKCQEXLFCPLITJ-UHFFFAOYSA-N Brc1ccc(CNC(=O)Cc2c3c(ccc2)cncc3)cc1 22032610 1 NB2011_Metz 0 0 0 1 100% 0 HEKAIDKUDLCBRU-UHFFFAOYSA-N s1c(c(nc1CC)c1cc(ccc1)C)c1cc(ncc1)NC(=O)c1ccccc1 9952773 1 NB2011_Metz 5.1 0 0 1 100% 0 BKWJAKQVGHWELA-UHFFFAOYSA-N O=c1n(n(c2nc(ncc12)Nc1ccc(N2CCN(CC2)C)cc1)c1nc(C(O)(C)C)ccc1)CC=C 24856436 1 NB2011_Metz 0 0 0 1 100% 0 HAYYBYPASCDWEQ-UHFFFAOYSA-N Fc1cc(Cc2cc3c(NC(=O)c4c(NC5CCOCC5)cc(N5CCN(CC5)C)cc4)n[nH]c3cc2)cc(F)c1 25141092 1 NB2011_Metz 0 0 0 1 100% 0 DSSRVQAIWBZWON-UHFFFAOYSA-N Fc1cc(Cc2cc3c(NC(=O)c4c(OC)cc(N5CCN(CC5)C)cc4)n[nH]c3cc2)cc(F)c1 49830780 1 NB2011_Metz 0 0 0 1 100% 0 ZQJVVICZLBJUTJ-UHFFFAOYSA-N S(=O)(=O)(NC(=O)c1ccc(c2ccc(F)cc2)cc1)c1cc([N+](=O)[O-])c(NCCSc2ccc(O)cc2)cc1 49830781 1 NB2011_Metz 5.1 0 0 1 100% 0 QFHRPRDSAHFZEG-UHFFFAOYSA-N Fc1ccc(c2c3c([nH]nc3N)ccc2)cc1 49830782 1 NB2011_Metz 0 0 0 1 100% 0 RKLGMDOZEOTQEM-UHFFFAOYSA-N Fc1cc(c2c3c([nH]nc3N)ccc2)ccc1NC(=O)Nc1cc(C(F)(F)F)ccc1 49830783 1 NB2011_Metz 0 0 0 1 100% 0 HBTBJELEOZMBDS-UHFFFAOYSA-N [nH]1nc(N)c2c1c(c1ccccc1)ccc2 49830784 1 NB2011_Metz 0 0 0 1 100% 0 KIOLXAWQJUDVMS-UHFFFAOYSA-N Brc1ccc(c2c3c([nH]nc3N)ccc2)cc1 49830785 1 NB2011_Metz 5.1 0 0 1 100% 0 APUCFXHENVUXCY-UHFFFAOYSA-N O=C(Nc1cc(ccc1)C)Cc1ccc(c2c3c([nH]nc3N)ccc2)cc1 11164136 1 NB2011_Metz 5.3 0 0 1 100% 0 MADCXGNPDBWPLM-UHFFFAOYSA-N Fc1c(cc(NC(=O)Cc2ccc(c3c4c([nH]nc4N)ccc3)cc2)cc1)C 11268820 1 NB2011_Metz 5.1 0 0 1 100% 0 FGSVLADZCDNNOC-UHFFFAOYSA-N Fc1c(c2c3c([nH]nc3N)ccc2)ccc(NC(=O)Nc2c(F)ccc(c2)C)c1 49830786 1 NB2011_Metz 0 0 0 1 100% 0 YWITWZUKNXWOSD-UHFFFAOYSA-N Fc1c(c2cc3c([nH]nc3NC(=O)CCC)cc2)cccc1F 49830787 1 NB2011_Metz 5.1 0 0 1 100% 0 NKBWVNORZJNFAW-UHFFFAOYSA-N O(c1c2c([nH]nc2N)ccc1)C(COCC)C 49830788 1 NB2011_Metz 0 0 0 1 100% 0 HNISSRAYDSNHNN-UHFFFAOYSA-N Clc1c2[nH]nc(N)c2ccc1 20135774 1 NB2011_Metz 0 0 0 1 100% 0 JTTNDRXETJGQKP-UHFFFAOYSA-N S(c1nc(n[nH]1)c1ccncc1)Cc1ccccc1 884767 1 NB2011_Metz 5.1 0 0 1 100% 0 MVAMOERRWMZNPJ-UHFFFAOYSA-N s1c2c(cc1C(=O)N)ccnc2 20244403 1 NB2011_Metz 0 0 0 1 100% 0 DZIPQNPWTUXXSJ-UHFFFAOYSA-N s1c2c(c(c3ccccc3)cnc2)cc1C(=O)N 18516349 1 NB2011_Metz 5.8 0 0 1 100% 0 PJUVRETYCLPAFV-UHFFFAOYSA-N s1c2c(c(c3cc(F)ccc3)cnc2)cc1C(=O)N 49830789 1 NB2011_Metz 5.9 0 0 1 100% 0 AWJPVXSHMIELNJ-UHFFFAOYSA-N Brc1c(F)c(F)c(c2c3c(sc(c3)C(=O)N)cnc2)cc1 49830790 1 NB2011_Metz 5.9 0 0 1 100% 0 WZBMMJKAHHOXRG-UHFFFAOYSA-N s1c2c(c(c3c(F)cc(F)cc3)cnc2)cc1C(=O)N 18516214 1 NB2011_Metz 6.3 1 1 0 100% 1 TZSJMSZEKQGCBI-UHFFFAOYSA-N s1c2c(c(Oc3cc(F)ccc3)cnc2)cc1C(=O)N 18516271 1 NB2011_Metz 5.4 0 0 1 100% 0 SPOBBSBKXJKGBG-UHFFFAOYSA-N Brc1ccc(Oc2c3c(sc(c3)C(=O)N)cnc2)cc1 9906347 1 NB2011_Metz 5.2 0 0 1 100% 0 OIDZQWOKVFYZSD-UHFFFAOYSA-N s1c2c(c(c3ccc(S(=O)(=O)C)cc3)cnc2)cc1C(=O)N 49830791 1 NB2011_Metz 5.2 0 0 1 100% 0 DWHOVKRIZFMOSJ-UHFFFAOYSA-N s1c2c(c(c3cc(cc(c3)C(F)(F)F)C(F)(F)F)cnc2)cc1C(=O)N 49830792 1 NB2011_Metz 5.1 0 0 1 100% 0 ZCAOFAAOUBUUBJ-UHFFFAOYSA-N s1c2c(c(c3cc(F)ccc3)cnc2)cc1C(=O)O 49830793 1 NB2011_Metz 5.1 0 0 1 100% 0 WICLISNBDMGFST-UHFFFAOYSA-N s1c2c(c(c3ccccc3)cnc2)cc1C(=O)O 49830794 1 NB2011_Metz 5.1 0 0 1 100% 0 NHEQNFWGPSKRMJ-UHFFFAOYSA-N s1c2c(c(c3ccc(S(=O)(=O)CC)cc3)cnc2)cc1C(=O)N 49830795 1 NB2011_Metz 5.1 0 0 1 100% 0 KYUYCTKUEHJRCI-UHFFFAOYSA-N s1c2c(c(c3cc(F)ccc3)cnc2)cc1C(=O)OC 49830796 1 NB2011_Metz 5.1 0 0 1 100% 0 UPPYTUNUGKDPSA-UHFFFAOYSA-N Ic1c2n(cc(n2)c2cc(Cl)ccc2)c(=O)[nH]c1 136027071 1 NB2011_Metz 5.1 0 0 1 100% 0 ADDQXEDWJOPRKR-UHFFFAOYSA-N O=C1Nc2c(NC1CC(=O)Nc1ccc(N(C)C)cc1)cccc2 2866301 1 NB2011_Metz 0 0 0 1 100% 0 ZKHDDJKHTPLPOQ-UHFFFAOYSA-N O=C(Nc1cc2c3c([nH]cc3cn[nH]c2=O)c1)C1C(C1)c1ccccc1 135543617 1 NB2011_Metz 6.8 1 1 0 100% 1 OAVGBZOFDPFGPJ-UHFFFAOYSA-N O=C1NC(=O)C(=C1c1nc(nc2c1cccc2)N1CCN(CC1)C)c1c2c([nH]c1)cccc2 10296883 1 NB2011_Metz 0 0 0 1 100% 0 WAKGEHXTOOFEAE-UHFFFAOYSA-N O=C1NC(=O)C(=C1c1nc(nc2c1cccc2)N1CCNCC1)c1c2c([nH]c1)cccc2 11851810 1 NB2011_Metz 0 0 0 1 100% 0 HCSUTOBTBPLLLG-UHFFFAOYSA-N O(c1c(OC)ccc(C(=O)Nc2c(C(=O)O)cccc2)c1)C 745798 1 NB2011_Metz 0 0 0 1 100% 0 NGHPFFZNDYPKNE-UHFFFAOYSA-N O=C(Nc1c(N2CCCC2)cccc1)c1nc2c(cc1)cccc2 8087554 1 NB2011_Metz 0 0 0 1 100% 0 SIIYWGTUMQUUKJ-UHFFFAOYSA-N Oc1c(c2c(C(=NNC(=O)Cc3c4c(ccc3)cccc4)CCC2)cc1)C 136027072 1 NB2011_Metz 5.1 0 0 1 100% 0 HMBDNAGIIDHKKM-UHFFFAOYSA-N S(=O)(=O)(n1c2c(nc1N)ccc(c1n3c(scc3)nc1c1ccc(F)cc1)c2)C(C)C 24952850 1 NB2011_Metz 5.1 0 0 1 100% 0 VLEFVPMCVJDTHZ-UHFFFAOYSA-N s1c2n(c(c(n2)c2ccc(F)cc2)c2cc3n(c(nc3cc2)N)CC(C)C)cc1 24952854 1 NB2011_Metz 5.1 0 0 1 100% 0 AKWVKIGCMCHYJT-UHFFFAOYSA-N s1c2n(c(c3cc4n(c(nc4c(F)c3)N)CC(C)C)c(n2)c2ccc(F)cc2)cc1 49830799 1 NB2011_Metz 5.1 0 0 1 100% 0 MZIOLOXGGOLJMJ-UHFFFAOYSA-N s1c2n(c(c(n2)c2ccc(F)cc2)c2cc3n(c(nc3cc2)N)CC2CC2)cc1 24952851 1 NB2011_Metz 5.1 0 0 1 100% 0 PYDWRLNPMMKKCI-UHFFFAOYSA-N s1c2n(c(c(n2)c2ccc(F)cc2)c2ccncc2)cc1 19022684 1 NB2011_Metz 5.1 0 0 1 100% 0 YMSZHISTTIUBDG-UHFFFAOYSA-N Fc1c(c2nc3occn3c2c2cc3n(nnc3cc2)C(C)C)ccc(F)c1 49830800 1 NB2011_Metz 5.1 0 0 1 100% 0 QKFXSCNWJZKJSJ-UHFFFAOYSA-N Fc1c(c2nc3occn3c2c2nn3c(nnc3CC(O)(C)C)cc2)ccc(F)c1 49830801 1 NB2011_Metz 5.1 0 0 1 100% 0 BJJHHKOPTKQUFQ-UHFFFAOYSA-N Fc1c(c2nc3n(c2c2nn4c(nnc4C(C)C)cc2)CCC3)ccc(F)c1 49830802 1 NB2011_Metz 5.1 0 0 1 100% 0 KOZOJNNVQMRVIW-UHFFFAOYSA-N Fc1c(c2nc3occn3c2c2nn3c(nnc3cc2)C(CO)(C)C)ccc(F)c1 49830803 1 NB2011_Metz 5.1 0 0 1 100% 0 AKOITYPGORWENQ-UHFFFAOYSA-N Fc1c(c2nc3occn3c2c2nn3c(nnc3C(C)C)cc2)ccc(F)c1 25134688 1 NB2011_Metz 5.1 0 0 1 100% 0 QFDLVEUFUHCRNH-UHFFFAOYSA-N Fc1c(c2nc3occn3c2c2nn3c(nnc3cc2)C(O)(C)C)ccc(F)c1 25167840 1 NB2011_Metz 0 0 0 1 100% 0 LVUBFHBEMVTCJQ-UHFFFAOYSA-N Oc1c2c(c(NCCN(CC)CC)cc1)cccc2 44466196 1 NB2011_Metz 0 0 0 1 100% 0 DOHPSTCWWHHDGL-UHFFFAOYSA-N s1c(c2n3nccc3nc(c2)C(=O)N)ccc1 49830804 1 NB2011_Metz 0 0 0 1 100% 0 WKTFAAHOXCFURQ-UHFFFAOYSA-N s1c(c2n3nccc3nc(c2)C(=O)O)ccc1 49830805 1 NB2011_Metz 0 0 0 1 100% 0 IMLXFZLHOPEBPM-UHFFFAOYSA-N O=C(Nc1n(c2c(n1)cc(N(C(=O)C1CCCCC1)C)cc2)CCC(=O)N)c1ccc(cc1)C#N 44593713 1 NB2011_Metz 5.1 0 0 1 100% 0 QYGMZFLXMWJYRJ-UHFFFAOYSA-N O=C(Nc1n(c2c(n1)cc(N(C(=O)C1CCCCC1)C)cc2)CCCC)c1cc(ccc1)C#N 49830806 1 NB2011_Metz 5.1 0 0 1 100% 0 AOFJRBMLTUGMMP-UHFFFAOYSA-N O=C(Nc1n(c2c(n1)cc(N(C(=O)C1CCCCC1)C)cc2)C)c1ccc(cc1)C#N 44588881 1 NB2011_Metz 5.1 0 0 1 100% 0 SUULIUKTZNKMMB-UHFFFAOYSA-N O=C(Nc1n(c2c(n1)cc(N(C(=O)C1CCCCC1)C)cc2)CCCC)c1ccc(cc1)C#N 44588915 1 NB2011_Metz 5.1 0 0 1 100% 0 VBIYDORVDCFKHM-UHFFFAOYSA-N O=C(Nc1n(c2c(n1)cccc2)CCCO)c1cc([N+](=O)[O-])ccc1 44412343 1 NB2011_Metz 5.1 0 0 1 100% 0 XWHCBQFKEIKORX-UHFFFAOYSA-N S(=O)(=O)(c1cc(C(=O)Nc2n(c3c(n2)cccc3)CCCO)ccc1)C 49830807 1 NB2011_Metz 0 0 0 1 100% 0 CEAYRKIZESVQSN-UHFFFAOYSA-N O(c1cc2nc(n(c2cc1)CCCO)NC(=O)c1cc([N+](=O)[O-])ccc1)C(=O)C(C)(C)C 11987888 1 NB2011_Metz 5.1 0 0 1 100% 0 ZKZXNDJNWUTGDK-UHFFFAOYSA-N Brc1ccc(cc1)C=CCNCCNS(=O)(=O)c1c2c(ccc1)cncc2 3541 1 NB2011_Metz 6.3 1 1 0 100% 1 PJPRVHYLYNCEGA-UHFFFAOYSA-N Oc1c(cc(Nc2nc(ncn2)c2ccccc2)cc1)CN 49830808 1 NB2011_Metz 0 0 0 1 100% 0 XGMWRIIMIJPGBH-UHFFFAOYSA-N Clc1c2c(sc1)ncnc2Nc1cc(O)ccc1 15745966 1 NB2011_Metz 5.1 0 0 1 100% 0 FFFPNQJGIVIKKA-UHFFFAOYSA-N Clc1c2c(sc1)ncnc2Nc1ccc(O)cc1 15745967 1 NB2011_Metz 5.2 0 0 1 100% 0 HLHLZMURAALWMG-UHFFFAOYSA-N FC(F)(F)C(=O)NCc1c(O)ccc(Nc2ncnc(N)c2)c1 49830809 1 NB2011_Metz 0 0 0 1 100% 0 JHYHWHUTTXJICB-UHFFFAOYSA-N Clc1c(O)c2ncccc2c(c1)CN(C1CCCCC1)C 4714238 1 NB2011_Metz 0 0 0 1 100% 0 QXEYVJSUGZZKCV-UHFFFAOYSA-N S(=O)(=O)(c1ccc(c2ccc(c3n[nH]c4c3Cc3c4cc(OC)c(O)c3)cc2)cc1)CC 136027073 1 NB2011_Metz 0 0 0 1 100% 0 QNLMLEYLZSGBHP-UHFFFAOYSA-N O1c2c(OC1)ccc(c1ncnc3[nH]ccc13)c2 49830811 1 NB2011_Metz 0 0 0 1 100% 0 UGZSWDPNQSYGTB-UHFFFAOYSA-N Brc1cc2n(nc(N)c2cc1)C(=O)C 49830812 1 NB2011_Metz 0 0 0 1 100% 0 XNEPVLVYFUGJLF-UHFFFAOYSA-N s1c2c(c(c3cc4nc(sc4cc3)C)c1)c(ncc2C=CC(=O)NC)N 49830813 1 NB2011_Metz 5.1 0 0 1 100% 0 QXRJBJVCBQSLTA-UHFFFAOYSA-N s1c2c(c(c3ccc(N)cc3)c1)c(ncc2C=Cc1nc2c([nH]1)cccc2)N 49830814 1 NB2011_Metz 5.1 0 0 1 100% 0 UQNNJYLAPYGZBD-UHFFFAOYSA-N s1c2c(c(c3cc(OC)c(NC(=O)c4n(c5c(c4)cccc5)C)cc3)c1)c(ncc2C=CC(=O)NCCN(C)C)N 49830815 1 NB2011_Metz 0 0 0 1 100% 0 KNACLJBHKVSTDL-UHFFFAOYSA-N s1c2c(c(c3cc4c([nH]c(c4)C)c(F)c3)c1)c(ncc2C=CC(=O)NC)N 49830816 1 NB2011_Metz 5.1 0 0 1 100% 0 JSDGKSMNPHJDFK-UHFFFAOYSA-N s1c2c(c(c3cc4OCOc4cc3)c1)c(ncc2C=CC(=O)NC)N 49830817 1 NB2011_Metz 5.1 0 0 1 100% 0 OPLHMHMCXQXEQG-UHFFFAOYSA-N S(=O)(=O)(NCCN)c1cc(C(=O)Nc2ccc(c3n[nH]c(=O)c4c3cccc4)cc2)ccc1 49830818 1 NB2011_Metz 5.3 0 0 1 100% 0 FUSGHFKTWQRWPV-UHFFFAOYSA-N S(=O)(=O)(NCCCN)c1cc(C(=O)Nc2ccc(c3n[nH]c(=O)c4c3cccc4)cc2)ccc1 49830819 1 NB2011_Metz 5.1 0 0 1 100% 0 XFUXPAURFGNBSI-UHFFFAOYSA-N O=C(O)c1n(nc2c1ccc(N)c2)c1ccccc1 49830820 1 NB2011_Metz 0 0 0 1 100% 0 QLFYNNXVNUZXMI-UHFFFAOYSA-N Brc1c(C2c3c(OC(=C2C#N)N)[nH]nc3C)cccc1 3422119 1 NB2011_Metz 0 0 0 1 100% 0 WYBRFXSHAXWYIZ-UHFFFAOYSA-N Fc1c(C2C3=C(Nc4[nH]nc(c24)C)CC(CC3=O)(C)C)cccc1 3453573 1 NB2011_Metz 5.1 0 0 1 100% 0 FQBWBTKXLRVHDG-UHFFFAOYSA-N Ic1c(C2c3c(OC(=C2C#N)N)[nH]nc3C)cccc1 600129 1 NB2011_Metz 5.1 0 0 1 100% 0 GPWYRDPTGJYJNL-UHFFFAOYSA-N Clc1c(C2c3c(OC(=C2C#N)N)[nH]nc3C)cccc1 2813676 1 NB2011_Metz 5.1 0 0 1 100% 0 SAVYFZRLWUDEDV-UHFFFAOYSA-N Fc1c(C2c3c(n[nH]c3OC(=C2C#N)N)C(C)(C)C)cccc1 3155438 1 NB2011_Metz 5.1 0 0 1 100% 0 VCYNMKHKCLKODE-UHFFFAOYSA-N Fc1c(C2c3c(OC(=C2C#N)N)[nH]nc3C)cccc1 600140 1 NB2011_Metz 0 0 0 1 100% 0 KSOOVKODAWUURJ-UHFFFAOYSA-N O=C(NCc1c(c(ccc1)C)C)c1c2n(nc1)c(c1ccccc1)ccn2 49830821 1 NB2011_Metz 0 0 0 1 100% 0 CKDGJQLBXUOVSI-UHFFFAOYSA-N s1c([N+](=O)[O-])cnc1NC(=O)NCc1ccccc1 10286133 1 NB2011_Metz 5.1 0 0 1 100% 0 CDRPUGZCRXZLFL-UHFFFAOYSA-N Oc1c(O)ccc(c1)C=Cc1cc(O)cc(O)c1 4813 1 NB2011_Metz 0 0 0 1 100% 0 XCGXAWJRNVHWAI-UHFFFAOYSA-N O=C1Nc2c(C1=Cc1c3c([nH]c1)cccc3)cccc2 315880 1 NB2011_Metz 0 0 0 1 100% 0 OEJQBEJOXJYPRT-UHFFFAOYSA-N O=C1Nc2c(C1=Cc1c3c([nH]c1)ccc(OC)c3)cccc2 3661799 1 NB2011_Metz 0 0 0 1 100% 0 SDBOIBYRBWPIEL-UHFFFAOYSA-N O=C1Nc2c(C1=Cc1[nH]ccc1)ccc(c2)c1ccc(O)cc1 49830822 1 NB2011_Metz 0 0 0 1 100% 0 NHFDRBXTEDBWCZ-UHFFFAOYSA-N O=C1Nc2c(C1=Cc1[nH]c(c(c1C)CCC(=O)O)C)cccc2 206042 1 NB2011_Metz 5.1 0 0 1 100% 0 RRUJKDOVAZSBLK-UHFFFAOYSA-N O(C1=NNC(=O)C1=Cc1c2c([nH]c1)cccc2)C(C)C - 1 NB2011_Metz 5.1 0 0 1 100% 0 OQUHAFCCSZWHJX-UHFFFAOYSA-N Clc1c(NC(=O)CCC(=O)NN=Cc2c3c([nH]c2)cccc3)cc(C(F)(F)F)cc1 5111160 1 NB2011_Metz 0 0 0 1 100% 0 XSRHBCYNCKAFKS-UHFFFAOYSA-N O=C(N1CC=C(c2c3c([nH]c2)nccc3)CC1)NC(c1cc(OC)ccc1)C 49830824 1 NB2011_Metz 8 1 1 0 100% 1 PFCUZXCHLYIMTJ-UHFFFAOYSA-N Fc1c(c2cc(OC)c(C(=O)NC(c3cc(OC)ccc3)C)cc2)ccnc1 49830825 1 NB2011_Metz 7.2 1 1 0 100% 1 MBRVCJRFWYHVHE-UHFFFAOYSA-N O=C(NC(c1cc(OC)ccc1)C)c1ccc(c2ncncc2)cc1 49830826 1 NB2011_Metz 6.2 1 1 0 100% 1 YCDLTWDQNHQKPG-UHFFFAOYSA-N Fc1cc(CNc2ncnc3[nH]cnc23)ccc1 6455415 1 NB2011_Metz 0 0 0 1 100% 0 MTSNDBYBIZSILH-UHFFFAOYSA-N N(c1ncnc2c1cccc2)c1ccccc1 324081 1 NB2011_Metz 0 0 0 1 100% 0 WHDJEAZLMYPLGL-UHFFFAOYSA-N OCCNc1nc2n(cnc2c(n1)NCc1ccccc1)C(C)C 6610355 1 NB2011_Metz 0 0 0 1 100% 0 GTVPOLSIJWJJNY-UHFFFAOYSA-N OCCNc1nc2n(cnc2c(n1)NCc1ccccc1)C 4592 1 NB2011_Metz 0 0 0 1 100% 0 JOSOUQLGXHXQDR-UHFFFAOYSA-N O=C1N(C(=O)c2c1cccc2)c1cc(O)c(cc1)C(=O)O 246391 1 NB2011_Metz 5.1 0 0 1 100% 0 DCEAVJCLOUAHCY-UHFFFAOYSA-N Clc1c(Cl)ccc(c1)CCC(=O)N(CCc1cc(OC)c(OC)cc1)C 49830827 1 NB2011_Metz 0 0 0 1 100% 0 KLZLCOULUPUMAI-UHFFFAOYSA-N Clc1c(COc2ccc(CN3CC(C3)C(=O)O)cc2)ccc(Cl)c1 49830828 1 NB2011_Metz 0 0 0 1 100% 0 XNKYXYWPDUHBSC-UHFFFAOYSA-N Clc1c(Cl)ccc(c1)COc1cc(c(CN2CC(C2)C(=O)O)cc1)C 46872619 1 NB2011_Metz 0 0 0 1 100% 0 QQXBOOIPHBWOGC-UHFFFAOYSA-N Fc1cc(c2[nH]c3n(ncc3c3ccc(F)cc3)c(=O)c2)ccc1 - 1 NB2011_Metz 0 0 0 1 100% 0 HNZBELVVHGZHII-UHFFFAOYSA-N Fc1ccc(c2c3n(nc2)c(=O)cc([nH]3)c2ccc(F)cc2)cc1 - 1 NB2011_Metz 0 0 0 1 100% 0 OYKVNNHWNKCAFM-UHFFFAOYSA-N O=c1n2c(n[nH]1)c(c1ccc(N)cc1)ccc2 49830831 1 NB2011_Metz 0 0 0 1 100% 0 OUSSSZVHVQKXGY-UHFFFAOYSA-N O=c1n2c(n[nH]1)c(c1ccccc1)ccc2 17856673 1 NB2011_Metz 0 0 0 1 100% 0 OEKYVFZKBRIDJO-UHFFFAOYSA-N S(=O)(=O)(Nc1ccc(c2cc3c([nH]nc3NC(=O)CC)cc2)cc1)CCC 49830832 1 NB2011_Metz 5.1 0 0 1 100% 0 IMMZLRQJNZSTTE-UHFFFAOYSA-N S(=O)(=O)(Nc1ccc(c2cc3c([nH]nc3NC(=O)C)cc2)cc1)CCC 49830833 1 NB2011_Metz 5.1 0 0 1 100% 0 YZHOOLPUTYUPEQ-UHFFFAOYSA-N S(=O)(=O)(Nc1ccc(Nc2cc3c([nH]nc3N)cc2)cc1)C 49830834 1 NB2011_Metz 0 0 0 1 100% 0 DAHUEDOCTJXJLO-UHFFFAOYSA-N [nH]1nc(NC(C)C)c2c1ccc(N)c2 49830835 1 NB2011_Metz 4.7 0 0 1 100% 0 NERQMDXDVAZVNX-UHFFFAOYSA-N o1c(C=NNc2ncnc(n3nc(cc3c3ccccc3)C)c2)ccc1 3133620 1 NB2011_Metz 5.1 0 0 1 100% 0 DZCWNAMURCVSNJ-UHFFFAOYSA-N s1c(c2n(nnc2C(=O)NN=Cc2sccc2)c2nonc2N)ccc1 2044508 1 NB2011_Metz 5.4 0 0 1 100% 0 JCTPJYZESAMIGH-UHFFFAOYSA-N s1c(C=NNC(=O)c2nnn(c2c2ccccc2)c2nonc2N)ccc1 5031818 1 NB2011_Metz 5.1 0 0 1 100% 0 WLVIONDQKHZQTJ-UHFFFAOYSA-N O=C(N)c1c(N2CCCCC2)cc(c2nc(ncc2)N)cc1 49830836 1 NB2011_Metz 0 0 0 1 100% 0 GQHMZZXJWGPHDA-UHFFFAOYSA-N FC(F)(F)c1cc(CNC2=C(Nc3ccncc3)C(=O)C2=O)ccc1 25205759 1 NB2011_Metz 5.1 0 0 1 100% 0 XMFUGSRATNLPRM-UHFFFAOYSA-N S(=O)(=O)(N(c1cc(c2cc3c(cc2)cncc3)cnc1)CCN)c1c2c(c(N(C)C)ccc2)ccc1 10391182 1 NB2011_Metz 6.5 1 1 0 100% 1 JOGKUKXHTYWRGZ-UHFFFAOYSA-N O=c1n(c2c(n1C)cnc1c2cc(cc1)c1cc2c(nc1)cccc2)c1ccc(cc1)C(C#N)(C)C 11977753 1 NB2011_Metz 0 0 0 1 100% 0 YZWREPOHKIXFCY-UHFFFAOYSA-N O=C(c1cc(c2cc3c(nc2)cccc3)ccc1)C 20099952 1 NB2011_Metz 0 0 0 1 100% 0 YQKSNDNARJQAHP-UHFFFAOYSA-N Clc1c(OCCCO)cc2OCCCCCOc3nc(NC(=O)Nc2c1)cnc3C#N 11293798 1 NB2011_Metz 5.1 0 0 1 100% 0 BQPLWJRDSDNGNE-UHFFFAOYSA-N Clc1c(OCCO)cc2OCCCCCOc3nc(NC(=O)Nc2c1)cnc3C#N 11430448 1 NB2011_Metz 5.1 0 0 1 100% 0 GHPFSYCYZJKVDZ-UHFFFAOYSA-N Clc1c(cc2OCCCCCOc3nc(NC(=O)Nc2c1)cnc3C#N)CCCO 11362471 1 NB2011_Metz 5.1 0 0 1 100% 0 AZTMYWWWILJAKW-UHFFFAOYSA-N Clc1c(NCc2scnc2)cc2OCCCCOc3nc(NC(=O)Nc2c1)cnc3C#N 44444843 1 NB2011_Metz 5.1 0 0 1 100% 0 QTQUAHGXBLFSCH-UHFFFAOYSA-N Clc1c(NS(=O)(=O)C)cc2OCCCCCOc3nc(NC(=O)Nc2c1)cnc3C#N 11397177 1 NB2011_Metz 5.1 0 0 1 100% 0 ZHRYDDVDLCQYQA-UHFFFAOYSA-N Clc1c(OCC(O)CO)cc2OCCCCCOc3nc(NC(=O)Nc2c1)cnc3C#N 11784520 1 NB2011_Metz 5.1 0 0 1 100% 0 XPPLYAKZGXYPOZ-UHFFFAOYSA-N Clc1c(cc(OCC2CC(CC2)C(=O)O)c(NC(=O)Nc2ncc(nc2)C#N)c1)C 49830837 1 NB2011_Metz 5.1 0 0 1 100% 0 NJKBCVHYFWYIIQ-UHFFFAOYSA-N Clc1c(cc(OC2CCCC2)c(NC(=O)Nc2ncc(nc2)C#N)c1)C 49830838 1 NB2011_Metz 5.1 0 0 1 100% 0 RIDCOBPCGROHQY-UHFFFAOYSA-N Clc1cc2NC(=O)Nc3nc(OCC(O)C(O)COc2cc1)c(nc3)C#N 49830839 1 NB2011_Metz 5.1 0 0 1 100% 0 MJMWZFLAXXUPEE-UHFFFAOYSA-N Clc1c(cc(OC)c(NC(=O)Nc2ncc(nc2)C#N)c1)CN1CCCCC1 23646814 1 NB2011_Metz 5.1 0 0 1 100% 0 IPTSYCYNQJITNJ-UHFFFAOYSA-N n1c(nc(cc1Nc1nccc(c1)C)C)c1ccccc1 49830840 1 NB2011_Metz 0 0 0 1 100% 0 WTDYDLXBPGZCEK-UHFFFAOYSA-N N(c1nc(Nc2ccc(N3CCN(CC3)CC)cc2)ncc1C)c1cc2c([nH]nc2)cc1 49830842 1 NB2011_Metz 0 0 0 1 100% 0 IZAHFLUMJUJAPM-UHFFFAOYSA-N FC(F)(F)c1c(nc(nc1)Nc1ccc(N2CCN(CC2)CC)cc1)Nc1cc2c([nH]nc2)cc1 49830843 1 NB2011_Metz 0 0 0 1 100% 0 BLTVBQXJFVRPFK-UHFFFAOYSA-N Oc1[nH]c2c(c1c1ncc(cc1)CN1CCOCC1)cc(cc2)C#N 135564570 1 NB2011_Metz 5.1 0 0 1 100% 0 SQWYWUWFOHRHHU-UHFFFAOYSA-N Oc1nc2[nH]nc(c2c(c1)C)c1cc(c2cc(ccc2)C#N)ccc1 136027074 1 NB2011_Metz 0 0 0 1 100% 0 XRHFREMWIGNGGS-UHFFFAOYSA-N Clc1ccc(C(=O)Cn2c3c(n(c2=N)CC)c(ccc3)CC)cc1 49830846 1 NB2011_Metz 0 0 0 1 100% 0 GTTVKNOBAKSFOI-UHFFFAOYSA-N Brc1ccc(C(=O)Cn2c3c(n(c2=N)CC)c(ccc3)CC)cc1 49830847 1 NB2011_Metz 0 0 0 1 100% 0 DKXHSOUZPMHNIZ-UHFFFAOYSA-N O=C1NCCc2[nH]c(cc12)c1ccncc1 11715767 1 NB2011_Metz 6.2 1 1 0 100% 1 OBHNPUMYQHGYJJ-UHFFFAOYSA-N Clc1c2c(sc1)ncnc2Nc1ccccc1 15745956 1 NB2011_Metz 5.1 0 0 1 100% 0 STISJUSFFZAZMP-UHFFFAOYSA-N O=C(O)c1n(c2c(c1c1c(cccc1)C)cccc2)CCCOc1c2c(ccc1)cccc2 25100740 1 NB2011_Metz 5.1 0 0 1 100% 0 UEWCRBHXCIZHHV-UHFFFAOYSA-N O=C(O)c1[nH]c2c(c1CCCOc1c(c(cc(c1)C)C)C)cccc2c1c(cccc1)C 49830848 1 NB2011_Metz 5.1 0 0 1 100% 0 YQKMXWUAKZDDLP-UHFFFAOYSA-N O=C(O)c1[nH]c2c(c3c(n(nc3C)C)C)cccc2c1CCCOc1c2c(ccc1)cccc2 49830849 1 NB2011_Metz 5.4 0 0 1 100% 0 PVPLRSZFJZXNCU-UHFFFAOYSA-N Clc1c(OCCCc2c3c([nH]c2C(=O)O)c(C(=C(C)C)C)ccc3)cccc1Cl 49830850 1 NB2011_Metz 5.5 0 0 1 100% 0 IXUVJFBUVNKVQJ-UHFFFAOYSA-N Clc1c(c2c3[nH]c(c(c3ccc2)CCCOc2c3c(ccc2)cccc3)C(=O)NCCOCCOCCN)c(ccc1)C 49830851 1 NB2011_Metz 5.6 0 0 1 100% 0 IEENGAUHBMOIFE-UHFFFAOYSA-N O=C(O)c1[nH]c2c(c1CCCOc1c3c(ccc1)cccc3)cccc2c1c(cc(cc1)C(=O)NCCOCCOCCN)C 49830852 1 NB2011_Metz 5.6 0 0 1 100% 0 IQIZCJIVSBDLES-UHFFFAOYSA-N O=C(O)c1n(c2c(c1Nc1ccccc1)c(c1c(cccc1)C)ccc2)CCCOc1c2c(ccc1)cccc2 25101956 1 NB2011_Metz 0 0 0 1 100% 0 LABRQXJTYADBRD-UHFFFAOYSA-N O=C(O)c1n(c2c(c1Nc1ccc(cc1)C)c(c1c(cccc1)C)ccc2)CCCOc1c2c(ccc1)cccc2 49830853 1 NB2011_Metz 0 0 0 1 100% 0 BUDOGSSTKVVWDR-UHFFFAOYSA-N Oc1c(N)cc(C(c2cc(N)c(O)cc2)(CCC(=O)O)C)cc1 255603 1 NB2011_Metz 0 0 0 1 100% 0 LRDIEHDJWYRVPT-UHFFFAOYSA-N S(=O)(=O)(O)c1c2c(c(N)cc1)c(O)ccc2 6752 1 NB2011_Metz 0 0 0 1 100% 0 TWZVBMXTDSNZLS-UHFFFAOYSA-N Ic1cc(C(c2cc(I)c(O)c(Br)c2)(C)C)cc(Br)c1O 5181561 1 NB2011_Metz 0 0 0 1 100% 0 JZVUYHDTYQWBFB-UHFFFAOYSA-N Fc1ccc(c2nn(cc2c2ncncc2)C)cc1 49830854 1 NB2011_Metz 5.1 0 0 1 100% 0 WHZLLHZNOLGRGE-UHFFFAOYSA-N Brc1cc2n(c3c(O)cc(O)c(Cl)c3)c(=O)[nH]c2cc1 49830855 1 NB2011_Metz 0 0 0 1 100% 0 TVLFEDKEAOXRCZ-UHFFFAOYSA-N OC(c1ccc(c2[nH]c3nccnc3c2CC)cc1)(C)C 24755603 1 NB2011_Metz 5.1 0 0 1 100% 0 RUPJOKGREQMQSI-UHFFFAOYSA-N S(c1ccc(c2[nH]c3c(n2)ccc(O)c3)cc1)c1ccc(c2[nH]c3c(n2)ccc(O)c3)cc1 49830856 1 NB2011_Metz 0 0 0 1 100% 0 UPYHVTCMTMZKAX-UHFFFAOYSA-N Fc1ccc(c2nc([nH]c2c2ccncc2)c2ccc(F)cc2)cc1 10592750 1 NB2011_Metz 5.1 0 0 1 100% 0 FTIAKTLRFKSDFR-UHFFFAOYSA-N S(=O)(=O)(N)c1c(CNC(=O)c2nc(OCC)c(c(N)c2)C#N)cccc1 11846125 1 NB2011_Metz 5.1 0 0 1 100% 0 GPVFWBNYDOWIIQ-UHFFFAOYSA-N O(c1nc(cc(N)c1C#N)C(=O)NCc1ccncc1)CC 49830857 1 NB2011_Metz 5.1 0 0 1 100% 0 IYHNFVWLUSPIBF-UHFFFAOYSA-N S(=O)(=O)(N)c1ccc(CNC(=O)c2nc(OCC)c(c(N)c2)C#N)cc1 44611456 1 NB2011_Metz 5.1 0 0 1 100% 0 GTMGQYXCPKUZAD-UHFFFAOYSA-N O=C(Nc1nc(c(c(N)c1)C#N)c1ccccc1)C 11658882 1 NB2011_Metz 5.1 0 0 1 100% 0 VBILMRWSCQMTGR-UHFFFAOYSA-N O=C(Nc1nc(c(c(N)c1)C#N)c1cc2c(cc1)cccc2)C 49830858 1 NB2011_Metz 5.1 0 0 1 100% 0 CUIDQTVRAWOMCM-UHFFFAOYSA-N S(=O)(=O)(c1ccc(CNC(=O)c2nc(OCC)c(c(N)c2)C#N)cc1)C 11846124 1 NB2011_Metz 5.1 0 0 1 100% 0 ZFBBVSHFSXNGFK-UHFFFAOYSA-N s1cc(c2nc(NC(=O)C)cc(N)c2C#N)cc1 49830859 1 NB2011_Metz 5.1 0 0 1 100% 0 UIRLFLOVKAOFEX-UHFFFAOYSA-N S(=O)(=O)(c1c(OC)cc(c(OC)c1)CC(=O)Nc1nc(OCC)c(c(N)c1)C#N)C 11539329 1 NB2011_Metz 5.1 0 0 1 100% 0 DXAJWOOLPAIVJG-UHFFFAOYSA-N O(c1nc(NC(=O)C)cc(N)c1C#N)CC 11715520 1 NB2011_Metz 5.1 0 0 1 100% 0 KCHJYXDFJPRQHV-UHFFFAOYSA-N O(c1nc(NC(=O)C)cc(N)c1C#N)CCC 49830860 1 NB2011_Metz 5.1 0 0 1 100% 0 CSDDCHPGQGWRLI-UHFFFAOYSA-N S(=O)(=O)(c1c(OC)cc(c(OC)c1)CC(=O)Nc1nc(OC(C)C)c(c(N)c1)C#N)C 11640926 1 NB2011_Metz 5.1 0 0 1 100% 0 JUKUQWGWZSESAV-UHFFFAOYSA-N Clc1c(OCC)nc(NC(=O)Cc2c(OC)cc(S(=O)(=O)C)c(OC)c2)cc1N 11590363 1 NB2011_Metz 5.1 0 0 1 100% 0 ZVTJLFMPNKAXHW-UHFFFAOYSA-N O(c1nc(NC(=O)C(C)C)cc(N)c1C#N)CC 11601246 1 NB2011_Metz 0 0 0 1 100% 0 URCWPSSFRVNQSO-UHFFFAOYSA-N O(c1nc(NC(=O)C)cc(N)c1C#N)CC(C)C 49830861 1 NB2011_Metz 0 0 0 1 100% 0 FMIWVLSQXKDNHB-UHFFFAOYSA-N n12c(c3ccc(cc3)C=C)cccc1nnc2N 49830862 1 NB2011_Metz 0 0 0 1 100% 0 IHZHBWVYQLECGM-UHFFFAOYSA-N Clc1n2c(nnc2N)ccc1 324449 1 NB2011_Metz 0 0 0 1 100% 0 XLXFTYZLDQSWSY-UHFFFAOYSA-N Fc1c(c2cn3c(nnc3N)cc2)cc(cc1)C 49830863 1 NB2011_Metz 5.1 0 0 1 100% 0 HWBWADPFWYTSBY-UHFFFAOYSA-N O(C(=O)c1n2c(nc1N)cccc2)C 49830864 1 NB2011_Metz 0 0 0 1 100% 0 QGOIQRQXIWSNJF-UHFFFAOYSA-N S(c1n2c3c(c(cc2nn1)C)cccc3)Cc1nc2n(c1)cccc2 4306353 1 NB2011_Metz 5.1 0 0 1 100% 0 OWXPWWRBBBGOLO-UHFFFAOYSA-N S1C(=Cc2cc(OC)c(O)cc2)C(=O)NC1=S 2831603 1 NB2011_Metz 5.1 0 0 1 100% 0 WCAKSXQRFBVWDG-UHFFFAOYSA-N O(c1cc(C=C(c2n[nH]c(N)c2C#N)C#N)ccc1O)C 2868675 1 NB2011_Metz 5.1 0 0 1 100% 0 RRAMBEGOYIJQHY-UHFFFAOYSA-N S1C(=Cc2c(O)cc(OCC)cc2)C(=O)NC1=N 4589745 1 NB2011_Metz 0 0 0 1 100% 0 SQXSMLLCDWJNAC-UHFFFAOYSA-N S1C(=Cc2cc(O)c(OC)cc2)C(=O)NC1=Nc1ccccc1 135444250 1 NB2011_Metz 5.1 0 0 1 100% 0 JOIUJUJSHIHBDT-UHFFFAOYSA-N S1C(=Cc2cc(OC)c(O)cc2)C(=O)NC1=Nc1ccccc1 135435475 1 NB2011_Metz 5.1 0 0 1 100% 0 KAICHBSRWFIESE-UHFFFAOYSA-N S1C(=Cc2cc(OC)c(O)cc2)C(=O)NC1=O 233113 1 NB2011_Metz 5.1 0 0 1 100% 0 YCLBAPJEFDBZNN-UHFFFAOYSA-N S1C(=Cc2cc(OC)c(OC)cc2)C(=O)NC1=Nc1ccccc1 135485273 1 NB2011_Metz 0 0 0 1 100% 0 ZLVOTRRGLSDLPF-UHFFFAOYSA-N n1c2[nH]ccc2cc(c2cc3[nH]ncc3cc2)c1 49830865 1 NB2011_Metz 5.1 0 0 1 100% 0 AQKQATGZIKRZMQ-UHFFFAOYSA-N O(c1c(OC)cc(Nc2nc(N3c4c(CCC3)cc(cc4)C)ncn2)cc1OC)C 23536094 1 NB2011_Metz 0 0 0 1 100% 0 GNLAGGCSJGJECE-UHFFFAOYSA-N Clc1c(Nc2nc(Nc3ccc(OCC(O)CN(C)C)cc3)ncc2)cc(Cl)cc1 4475481 1 NB2011_Metz 0 0 0 1 100% 0 OTVCFDOYUHREFJ-UHFFFAOYSA-N o1nc(cc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1)C1CCCCC1 21060786 1 NB2011_Metz 5.1 0 0 1 100% 0 BFENEDRNBGYKMO-UHFFFAOYSA-N O(c1c(OC)cc(Nc2nc(Nc3n[nH]cc3)ncn2)cc1OC)C 23536351 1 NB2011_Metz 0 0 0 1 100% 0 SQRAVABXQOSXPH-UHFFFAOYSA-N O=C(N(CCCN(C)C)C)C1NC2(c3nc[nH]c3C1)CCCCC2 49830866 1 NB2011_Metz 0 0 0 1 100% 0 DPRGOXVMSNDADU-UHFFFAOYSA-N O=C(Nc1cc(cc(c1)C(=NNC(=N)N)C)C(=NNC(=N)N)C)NCCCN(CCCNC(=O)Nc1cc(cc(c1)C(=NNC(=N)N)C)C(=NNC(=N)N)C)C 49830867 1 NB2011_Metz 6.5 1 1 0 100% 1 QONPPIZSNSSCSK-UHFFFAOYSA-N FC(F)(F)c1cc(NC(=O)Nc2ccc(C3=Nc4c(NCC3)ncnc4N)cc2)c(F)cc1 15941392 1 NB2011_Metz 5.2 0 0 1 100% 0 BYQDPWAYLMNNKF-UHFFFAOYSA-N FC(F)(F)c1c(F)ccc(NC(=O)Nc2ccc(C3=Nc4c(NCC3)ncnc4N)cc2)c1 15941395 1 NB2011_Metz 0 0 0 1 100% 0 NLNVCPSZHKGGDI-UHFFFAOYSA-N Clc1cc2c(=O)c3c(n(nc3C)c3ccccc3)n(O)c2cc1 23647236 1 NB2011_Metz 5.1 0 0 1 100% 0 HWVCCOSFFLSWTL-UHFFFAOYSA-N o1c2c(c(C(=O)Nc3ccc(N)cc3)c1)C(=O)CC(C2)(C)C 49830868 1 NB2011_Metz 0 0 0 1 100% 0 UOHCGMBECWOBEU-UHFFFAOYSA-N O=C(NC1c2c(c(N3CCCC3)ccc2)CC1)Nc1c2c([nH]nc2)ccc1 11164323 1 NB2011_Metz 0 0 0 1 100% 0 HBYJIVNHTWIKJQ-UHFFFAOYSA-N Clc1ccc(OCC2OCCN(Cc3c4c([nH]c3)nccc4)C2)cc1 10473554 1 NB2011_Metz 0 0 0 1 100% 0 ZQXHCYUUGYPWJB-UHFFFAOYSA-N s1nc(N)c2c(C(=O)Nc3cc(ccc3)CNC(=O)Nc3cc(F)ccc3)cccc12 25176267 1 NB2011_Metz 0 0 0 1 100% 0 JRLSUZIPUYDUKX-UHFFFAOYSA-N Brc1cc(c2[nH]c(=O)c(c(c3sc(cc3)C)c2)C#N)c(O)cc1 49830869 1 NB2011_Metz 0 0 0 1 100% 0 PFWHLEAMXWPHOO-UHFFFAOYSA-N Clc1c(c2ncc(n3cccc3)cc2cc1)C(=O)O 49830870 1 NB2011_Metz 0 0 0 1 100% 0 BNFPTKKTQKURAC-UHFFFAOYSA-N O=c1n2[nH]cc(c2nc(c1)C)C(=O)NCc1ccccc1 4548096 1 NB2011_Metz 0 0 0 1 100% 0 IIPKMOYEGNSODC-UHFFFAOYSA-N Clc1ncn2c(nnc2c1)c1ccccc1 43144460 1 NB2011_Metz 0 0 0 1 100% 0 TXFWBPVZZNCVHL-UHFFFAOYSA-N O=C(c1cc(c2nn3c(ncc3)cc2)ccc1)C 49830871 1 NB2011_Metz 0 0 0 1 100% 0 JWQOJVOKBAAAAR-UHFFFAOYSA-N O(c1cc(c2nc(n3c(ncc3)c2)Nc2ncccc2C(=O)N)ccc1OC)C 10200390 1 NB2011_Metz 5.1 0 0 1 100% 0 NXZDRKHGBLONPM-UHFFFAOYSA-N Fc1ncc(c2nn3c(ncc3)cc2)cc1 49830872 1 NB2011_Metz 0 0 0 1 100% 0 CZQVOIDVDAVDFW-UHFFFAOYSA-N O(c1cc(c2nc(n3c(ncc3)c2)Nc2c(C(=O)N)cccc2)ccc1OC)C 10110877 1 NB2011_Metz 5.4 0 0 1 100% 0 CFULEOIKQZVYRT-UHFFFAOYSA-N Brc1ccc(C2=NOC(=O)C2=Cc2ccc(OC)cc2)cc1 49830873 1 NB2011_Metz 0 0 0 1 100% 0 NQDCWFFBZIZUAE-UHFFFAOYSA-N S=C(Nc1ccc(cc1)C)C(C(=O)OCC)C(=O)N 12261249 1 NB2011_Metz 0 0 0 1 100% 0 URRIADZIXILTHY-UHFFFAOYSA-N S=C1N(C(=O)C(=O)N1)c1ccccc1 1550384 1 NB2011_Metz 0 0 0 1 100% 0 SJDGHXXYFFXVPE-UHFFFAOYSA-N n1(c2c(c(C(c3cc(cnc3)C=Cc3ccncc3)CN)c1)cccc2)C 49830874 1 NB2011_Metz 5.5 0 0 1 100% 0 NXNQLECPAXXYTR-UHFFFAOYSA-N O=C1Nc2c(nccc2)C1=Cc1c2c(n(c1)C)cccc2 16219401 1 NB2011_Metz 5.1 0 0 1 100% 0 ZCBUQCWBWNUWSU-UHFFFAOYSA-N O=C1NC(=O)C2=C1c1c3c(n(c1)CCC(OCCn1c4c(c2c1)cccc4)CN(C)C)cccc3 9892366 1 NB2011_Metz 0 0 0 1 100% 0 XUBOMFCQGDBHNK-UHFFFAOYSA-N Fc1c(N2CC(NCC2)C)c(OC)c2n(C3CC3)cc(c(=O)c2c1)C(=O)O 5379 1 NB2011_Metz 0 0 0 1 100% 0 SHNZBTHVGXHLLD-UHFFFAOYSA-N S1c2n(c3c(c(=O)c2C(=O)O)cc(F)c(N2CC(N)CC2)c3)C(C1)C 20261448 1 NB2011_Metz 5.1 0 0 1 100% 0 XXHWFLFMSNXBLK-UHFFFAOYSA-N s1c2c(nc1N)c1c(C2)cccc1 13187667 1 NB2011_Metz 0 0 0 1 100% 0 WKEYMNLZBZKLOG-UHFFFAOYSA-N O=C1NCc2c(c3ccc(Nc4nc5c([nH]4)cccc5)cc3)cccc12 11221493 1 NB2011_Metz 5.1 0 0 1 100% 0 HLHYXKMOBCRCRR-UHFFFAOYSA-N N(c1c2c(c(N)cc1)cccc2)(C)C 112928 1 NB2011_Metz 0 0 0 1 100% 0 YEHCNYAQEBQCCS-UHFFFAOYSA-N S(=O)(=O)(N)c1cc(Nc2nc3n(c4ccccc4)ccc3cn2)ccc1 49830876 1 NB2011_Metz 5.9 0 0 1 100% 0 AIQDZMUPVYDVLB-UHFFFAOYSA-N S(=O)(=O)(N)c1cc(Nc2nc3n(ccc3cn2)Cc2ccccc2)ccc1 49830877 1 NB2011_Metz 5.4 0 0 1 100% 0 LDNDTZTXPRCUJS-UHFFFAOYSA-N Fc1ccc(c2ncn(c2c2ccncc2)CCCO)cc1 49830878 1 NB2011_Metz 5.1 0 0 1 100% 0 ULSIWAGDPRIVCH-UHFFFAOYSA-N OCCCn1c(c(nc1)c1ccccc1)c1ccncc1 49830879 1 NB2011_Metz 5.1 0 0 1 100% 0 ZQUSFAUAYSEREK-UHFFFAOYSA-N Fc1ccc(c2ncn(c2c2nc(OC)ncc2)C2CCC(O)CC2)cc1 5166 1 NB2011_Metz 5.1 0 0 1 100% 0 PDTYLGXVBIWRIM-UHFFFAOYSA-N Fc1ccc(c2ncn(c2c2nc(OC)ncc2)C2CCNCC2)cc1 9863367 1 NB2011_Metz 5.1 0 0 1 100% 0 WTHRUZWFBGQTQE-UHFFFAOYSA-N Clc1c(c2c(c(OC)nc(N)c2C#N)C#N)ccc(Cl)c1 693221 1 NB2011_Metz 0 0 0 1 100% 0 RJZDECGDCKOHBV-UHFFFAOYSA-N O=C1NCCc2[nH]c(cc12)c1cc(ncc1)C=Cc1ccccc1 49830880 1 NB2011_Metz 5.7 0 0 1 100% 0 OWFLADWRSCINST-UHFFFAOYSA-N O=C1NCCc2[nH]c(c3cc(ncc3)c3cc4c(nc3)cccc4)cc12 10389239 1 NB2011_Metz 5.1 0 0 1 100% 0 HMABYWSNWIZPAG-UHFFFAOYSA-N Fc1cc2[nH]c(c3c2c(C(=O)NCC3)c1)c1ccc(cc1)CNC 9931954 1 NB2011_Metz 5.1 0 0 1 100% 0 JTRXEPCDEVNYPE-UHFFFAOYSA-N Clc1nccc(c2[nH]c3c(c2)C(=O)NCC3)c1 16720432 1 NB2011_Metz 0 0 0 1 100% 0 NEWAULHLLUCDPD-UHFFFAOYSA-N Clc1cc(CNC2=C(Nc3ccncc3)C(=O)C2=O)ccc1Cl 49830881 1 NB2011_Metz 5.1 0 0 1 100% 0 BNLPAUPVSCPTDM-UHFFFAOYSA-N S(=O)(=O)(O)c1c2c(c(NCc3cc4OCOc4cc3)cc1)c(O)ccc2 49830882 1 NB2011_Metz 5.1 0 0 1 100% 0 QUZYEJUYJAWLOF-UHFFFAOYSA-N O=C1C(=C(Nc2ccncc2)C1=O)NCc1c(OC)cc(OC)cc1 49830883 1 NB2011_Metz 5.1 0 0 1 100% 0 SKLNUYVBOFIJAT-UHFFFAOYSA-N Clc1c(CNC2=C(Nc3cc4c(n(nc4)C(=O)OC(C)(C)C)cc3)C(=O)C2=O)ccc(Cl)c1 49830884 1 NB2011_Metz 5.1 0 0 1 100% 0 KCLZJAVIQDVQCK-UHFFFAOYSA-N S(=O)(=O)(N)c1ccc(CNC2=C(Nc3cc4c(n(nc4)C(=O)OC(C)(C)C)cc3)C(=O)C2=O)cc1 49830885 1 NB2011_Metz 5.1 0 0 1 100% 0 KYHMOCUKKUVQSG-UHFFFAOYSA-N O=C1C(=C(NCCc2ccc(Oc3ccccc3)cc2)C1=O)Nc1ccncc1 11646704 1 NB2011_Metz 5.1 0 0 1 100% 0 GFOMFROIIBQABZ-UHFFFAOYSA-N o1c(c2nc3c(nc2c2occc2)ccc(NC(=O)N(C)C)c3)ccc1 4323109 1 NB2011_Metz 5.1 0 0 1 100% 0 HATNHAMXMKJCEI-UHFFFAOYSA-N o1c(c2nc3c(nc2c2occc2)ccc(NC(=O)N(CC)CC)c3)ccc1 2213120 1 NB2011_Metz 5.1 0 0 1 100% 0 PBNKREGCQAYWMQ-UHFFFAOYSA-N o1c(c2nc3c(nc2c2occc2)ccc(NC(=O)N(C(C)C)C(C)C)c3)ccc1 5018815 1 NB2011_Metz 5.1 0 0 1 100% 0 TVUWQDLBEOZVOU-UHFFFAOYSA-N s1c2c(nc(nc2cc1)NCc1ccccc1)Nc1n[nH]c(C2CC2)c1 49830886 1 NB2011_Metz 0 0 0 1 100% 0 GMXNHZVARFMXAY-UHFFFAOYSA-N O=C(c1c(c2ncnc3[nH]ccc23)cccc1)C 49830887 1 NB2011_Metz 0 0 0 1 100% 0 LZXPYCSHIFEZMR-UHFFFAOYSA-N Fc1c(cc(c2ncnc3[nH]ccc23)cc1)C 49830888 1 NB2011_Metz 0 0 0 1 100% 0 DANYIYRPLHHOCZ-UHFFFAOYSA-N o1c2c(c(=O)cc1c1ccc(OC)cc1)c(O)cc(O)c2 5280442 1 NB2011_Metz 0 0 0 1 100% 0 KLAOKWJLUQKWIF-UHFFFAOYSA-N o1c2c(c(O)c(OC)c(OC)c2)c(=O)cc1c1cc(O)c(OC)cc1 97214 1 NB2011_Metz 0 0 0 1 100% 0 DYTQGJLVGDSCLF-UHFFFAOYSA-N s1c2ncnc(N)c2cc1 4269486 1 NB2011_Metz 0 0 0 1 100% 0 TVMNBJGPUXIPFT-UHFFFAOYSA-N n12c(nc(c1)c1ccccc1)cc(nc2)N 404051 1 NB2011_Metz 0 0 0 1 100% 0 IUEBPIPDFMCSTP-UHFFFAOYSA-N s1c2c(ncnc2N)c2c1ncnc2N 24203040 1 NB2011_Metz 5.1 0 0 1 100% 0 IGICDOGCTIXJCD-UHFFFAOYSA-N n1nc(nc(N)c1c1ccccc1)N 21814735 1 NB2011_Metz 0 0 0 1 100% 0 JCUOWWYFVWFJDW-UHFFFAOYSA-N O(c1ccc(c2c3c(nc(c2)c2ccccc2)ncnc3NC(=O)COCC(=O)O)cc1)C 49830889 1 NB2011_Metz 0 0 0 1 100% 0 FSWFKKQQSQHIRZ-UHFFFAOYSA-N Clc1c2c(nc3c1cc(SC)cc3)C(=O)NCC2 49830890 1 NB2011_Metz 5.1 0 0 1 100% 0 ZMEIPDPKFPZUIJ-UHFFFAOYSA-N Clc1c(c2c(nc1N1CC(CC1)CN)[nH]cc(c2=O)C(=O)O)C 49830891 1 NB2011_Metz 5.1 0 0 1 100% 0 OVAOLAMUWIEEIO-UHFFFAOYSA-N s1nc(c2c1[nH]cc(c2=O)C(=O)O)C 135741685 1 NB2011_Metz 5.1 0 0 1 100% 0 DKDZXPOLPBFKGD-UHFFFAOYSA-N Fc1c(c2c(nc1N1CC(N)CC1)[nH]cc(c2=O)C(=O)O)C 9972405 1 NB2011_Metz 0 0 0 1 100% 0 DYAKPPODIHJSHS-UHFFFAOYSA-N Brc1c(nc2[nH]cc(c(=O)c2c1C)C(=O)O)N1CC(NC)CC1 9977114 1 NB2011_Metz 5.1 0 0 1 100% 0 PQRCICYGWACMGJ-UHFFFAOYSA-N S(c1nc2c([nH]1)cccc2)c1oc(cc1)C=NNC(=O)c1cc([N+](=O)[O-])ccc1 5216867 1 NB2011_Metz 5.1 0 0 1 100% 0 PSDWYZBYMPNKSJ-UHFFFAOYSA-N OC(c1nnn(c2cc3c([nH]nc3)cc2)c1)(C)C 44186879 1 NB2011_Metz 0 0 0 1 100% 0 SODGZPDNROVASD-UHFFFAOYSA-N n1(nnc2c1cccc2)Cc1nnn(c2cc3c([nH]nc3)cc2)c1 44186884 1 NB2011_Metz 5.8 0 0 1 100% 0 RKYMKZBWOFGDLO-UHFFFAOYSA-N O=c1[nH]n(c(N)c1)c1ncccc1 459567 1 NB2011_Metz 0 0 0 1 100% 0 ALZXWBKJJOMNHK-UHFFFAOYSA-N Clc1cc(N2N=C(C(=Cc3c(O)n4c(nc5c4cccc5)c(c3C)C#N)C2=O)C)ccc1Cl - 1 NB2011_Metz 5.1 0 0 1 100% 0 PJQQRNGGHIVKKV-UHFFFAOYSA-N Oc1n2c(nc3c2cccc3)c(c(c1C=C1C(=O)N(N=C1C)c1ccc(cc1)C(=O)O)C)C#N - 1 NB2011_Metz 5.1 0 0 1 100% 0 UPITUWGOTMBQLX-UHFFFAOYSA-N Oc1n2c(nc3c2cccc3)c(c(c1C=O)C)C#N - 1 NB2011_Metz 5.1 0 0 1 100% 0 ZPHAPKWGRXVJQR-UHFFFAOYSA-N Oc1n2c(nc3c2cccc3)c(c(c1C=C1C(=O)N(N=C1C)c1ccccc1)C)C#N - 1 NB2011_Metz 5.1 0 0 1 100% 0 FSANMCKFZIBYGJ-UHFFFAOYSA-N Brc1cc(N2N=C(C(=Cc3c(O)n4c(nc5c4cccc5)c(c3C)C#N)C2=O)C)ccc1 - 1 NB2011_Metz 5.1 0 0 1 100% 0 PZWRTHWYVBLORC-UHFFFAOYSA-N n12c(nc3c1cccc3)c(c(cc2NNCC)C)C#N 3653771 1 NB2011_Metz 5.1 0 0 1 100% 0 CIYPTMSDKNRLGL-UHFFFAOYSA-N Oc1n2c(nc3c2cccc3)cc(c1C=C1C(=O)N(N=C1C)c1ccc(cc1)C(=O)O)C - 1 NB2011_Metz 0 0 0 1 100% 0 PXWXNAFIGGDIKD-UHFFFAOYSA-N s1n(c(=O)n(c1=O)Cc1ccccc1)c1cc2OCOc2cc1 11631270 1 NB2011_Metz 0 0 0 1 100% 0 JWLJDRWZFALRKE-UHFFFAOYSA-N Clc1c2nc[nH]c(=O)c2ccc1 135412869 1 NB2011_Metz 0 0 0 1 100% 0 OVEISJPVPHWEHR-UHFFFAOYSA-N Brc1cc2c(nc[nH]c2=O)cc1 135444905 1 NB2011_Metz 0 0 0 1 100% 0 PAIFYAZSILXLBO-UHFFFAOYSA-N Brc1c2sc(c(N)c2c(Cl)cc1)C(=O)N 49830895 1 NB2011_Metz 5.1 0 0 1 100% 0 DJUSDFVEBBYFFL-UHFFFAOYSA-N Clc1c2c3nc[nH]c(=O)c3sc2c(Cl)cc1 135566504 1 NB2011_Metz 5.1 0 0 1 100% 0 OBZHLULOFFWAJX-UHFFFAOYSA-N Brc1c2sc3c(nc(oc3=O)C)c2c(Cl)cc1 49830896 1 NB2011_Metz 5.1 0 0 1 100% 0 YCVWBBWJVCFSQB-UHFFFAOYSA-N s1c2n(nc(c2c2nc[nH]c(=O)c12)C)C 135993697 1 NB2011_Metz 0 0 0 1 100% 0 RDFIHNPETILDIT-UHFFFAOYSA-N s1c(c(c2nc[nH]c(=O)c12)c1ccccc1)C(F)(F)F 136027075 1 NB2011_Metz 0 0 0 1 100% 0 IFPPYSWJNWHOLQ-UHFFFAOYSA-N Clc1c(c2c(=O)n(c3nc(ncc3c2)Nc2ccc(OCCN(CC)CC)cc2)C)c(Cl)ccc1 5311382 1 NB2011_Metz 0 0 0 1 100% 0 HEWSYCQXZBBREJ-UHFFFAOYSA-N Brc1ccc(C=CC(=O)Nc2c3c(ccc2)cncc3)cc1 49830899 1 NB2011_Metz 0 0 0 1 100% 0 TXHOCWWJSGCZLC-UHFFFAOYSA-N Fc1c(Nc2oc3c(n2)cc(cc3C)C)ccc(c2c(N)c(ccc2)C(=O)N)c1 49830900 1 NB2011_Metz 5.1 0 0 1 100% 0 ZMNWFTYYYCSSTF-UHFFFAOYSA-N O(c1cc(c2nn(c3ncnc(N)c23)C2CCC(N3CCN(CC3)C(=O)C)CC2)ccc1NC(=O)c1n(c2c(c1)cccc2)C)C 9549184 1 NB2011_Metz 5.1 0 0 1 100% 0 JMIIFJIJWDCOEP-UHFFFAOYSA-N o1c(c2nc3c(c(c2)C(=O)Nc2c(ccc(c2)C)C)cccc3)ccc1 868869 1 NB2011_Metz 0 0 0 1 100% 0 NSYXCWYWACQNOH-UHFFFAOYSA-N s1c2=C(C(C(=C(n2c(=O)c1=Cc1occc1)N)C#N)c1occc1)C(=O)OCC 3449643 1 NB2011_Metz 5.1 0 0 1 100% 0 XIOOJUQFJYPVLA-UHFFFAOYSA-N s1c2=C(C(C(=C(n2c(=O)c1=Cc1occc1)N)C#N)c1occc1)C(=O)N 3270866 1 NB2011_Metz 5.1 0 0 1 100% 0 ZQVQTUFEKLITNT-UHFFFAOYSA-N s1c2=C(C(C(=C(n2c(=O)c1=Cc1sccc1)N)C(=O)OCC)c1sccc1)C(=O)N 4458892 1 NB2011_Metz 5.1 0 0 1 100% 0 AQQRLFFHPCCEGF-UHFFFAOYSA-N s1c2=C(C(C(=C(n2c(=O)c1=Cc1sccc1)N)C#N)c1sccc1)C(=O)OCC 3125761 1 NB2011_Metz 0 0 0 1 100% 0 HXILKBXYIZKOHV-UHFFFAOYSA-N Ic1c2n(cc(n2)c2ccccc2)c(=O)[nH]c1 135741883 1 NB2011_Metz 5.1 0 0 1 100% 0 QZPFUALVXZAFDD-UHFFFAOYSA-N O=C(c1ccc(c2[nH]c3nccnc3c2CC)cc1)C 49830902 1 NB2011_Metz 0 0 0 1 100% 0 SHZPFCZPWGVEED-UHFFFAOYSA-N Brc1nc2c([nH]c(c2)c2ccc(cc2)C)nc1 49830903 1 NB2011_Metz 0 0 0 1 100% 0 KHLFMQGTPNVRPN-UHFFFAOYSA-N O=C1N(N=C(NC(=O)Nc2cc(cc(c2)C)C)C1)c1ccccc1 49830904 1 NB2011_Metz 0 0 0 1 100% 0 WQFGNANQTYLQBP-UHFFFAOYSA-N S(c1ccc(NC(=O)Cc2ccc(c3cnccc3)cc2)cc1)C(F)F 49830905 1 NB2011_Metz 0 0 0 1 100% 0 QVGIGZLDWCWJDZ-UHFFFAOYSA-N O=C1Nc2ncc(cc2C1)c1ccccc1 15504063 1 NB2011_Metz 0 0 0 1 100% 0 KXJMKXWYKDYCSV-UHFFFAOYSA-N O=c1[nH]c(cc(n1)c1ccccc1)c1ccncc1 49830906 1 NB2011_Metz 0 0 0 1 100% 0 NUJBDRXQVQPKQC-UHFFFAOYSA-N n12c(ncc1ccnc2N)c1ccccc1 49830907 1 NB2011_Metz 0 0 0 1 100% 0 AYXVSCVVQIADBF-UHFFFAOYSA-N Fc1c(NC(=O)Nc2ccc(c3c4c([nH]nc4N)c(OCCCn4cccc4)cc3)cc2)cc(cc1)C 49830908 1 NB2011_Metz 0 0 0 1 100% 0 NIKNJFKATRPZSL-UHFFFAOYSA-N Clc1c(NC(=O)Nc2cc(C(F)(F)F)ccc2F)ccc(c2n[nH]c(=O)cc2C)c1 49830909 1 NB2011_Metz 0 0 0 1 100% 0 BVEYDBGZRDZKLI-UHFFFAOYSA-N FC(F)(F)c1cc(NC(=O)Nc2ccc(c3c4c(onc4N)c(cc3)CN3CCOCC3)cc2)c(F)cc1 11785860 1 NB2011_Metz 0 0 0 1 100% 0 YEINPIKXEQEWSU-UHFFFAOYSA-N FC(F)(F)c1c2c(n[nH]c2nc(O)c1)c1cc(C(F)(F)F)ccc1 135566520 1 NB2011_Metz 0 0 0 1 100% 0 BBXIECANPYCIMM-UHFFFAOYSA-N FC(F)(F)c1cc(c2n[nH]c3[nH]c(=O)cc(c23)C)ccc1 136027076 1 NB2011_Metz 0 0 0 1 100% 0 JRMYHMGBFVARON-UHFFFAOYSA-N O1C(c2c(O)n(nc2C)c2nc3c([nH]2)cccc3)c2c(C1=O)cccc2 - 1 NB2011_Metz 0 0 0 1 100% 0 YCFLNCCUABHORO-UHFFFAOYSA-N Clc1cc(C2=NNC(c3cc4OCCOc4cc3)C2)c(O)cc1 4048231 1 NB2011_Metz 0 0 0 1 100% 0 FWQLGWJRPGEROE-UHFFFAOYSA-N s1c2c(nc1NC(=O)Nc1c(c3ccccc3)cccc1)c(O)ccc2 49830911 1 NB2011_Metz 0 0 0 1 100% 0 OGNYUTNQZVRGMN-UHFFFAOYSA-N O(c1c(OC)cc2c(ncnc2Nc2ccc(NC(=O)c3ccccc3)cc2)c1)CCCN1CCOCC1 9914412 1 NB2011_Metz 0 0 0 1 100% 0 GBJVVSCPOBPEIT-UHFFFAOYSA-N P(=O)(OCCN(CCCOc1cc2ncnc(Nc3n[nH]c(c3)CC(=O)Nc3cc(F)ccc3)c2cc1)CC)(O)O 11497983 1 NB2011_Metz 0 0 0 1 100% 0 TUGJFHRKCAMPIL-UHFFFAOYSA-N s1c2nc([nH]c(=O)c2c(c2occc2)c1)CN1C(c2n(CC1)ccc2)C 16331279 1 NB2011_Metz 0 0 0 1 100% 0 MSHWFKSJTARSSX-UHFFFAOYSA-N Clc1cc2[nH]c3c(c(=O)c2cc1)C(=O)CC(C3)c1ccc(Cl)cc1 49830912 1 NB2011_Metz 0 0 0 1 100% 0 UCNGSKHMBNVWNA-UHFFFAOYSA-N Clc1cc2[nH]c3c(c(=O)c2cc1)C(=O)CC(C3)c1ccc(F)cc1 49830913 1 NB2011_Metz 0 0 0 1 100% 0 SLRIULRRADAUHV-UHFFFAOYSA-N Clc1c(C2Cc3[nH]c4c(c(=O)c3C(=O)C2)cc(Cl)cc4)ccc(Cl)c1 633805 1 NB2011_Metz 0 0 0 1 100% 0 NLLQPZJXRXETTK-UHFFFAOYSA-N Clc1cc2[nH]c3c(c(=O)c2cc1)C(=O)CC(C3)c1ccccc1 49830914 1 NB2011_Metz 0 0 0 1 100% 0 CNWMKSDNKYKWRI-UHFFFAOYSA-N Clc1c(C2Cc3[nH]c4c(c(=O)c3C(=O)C2)ccc(Cl)c4)ccc(Cl)c1 613127 1 NB2011_Metz 5.1 0 0 1 100% 0 JNPCKQOIIRKYRO-UHFFFAOYSA-N O=C(NC)c1n[nH]c(c1)c1ccccc1 18870913 1 NB2011_Metz 0 0 0 1 100% 0 CLRFYTGANQZOBS-UHFFFAOYSA-N Clc1c(n2c3c(c(=O)c(c2)C(=O)N)ccc(c3)c2ccncc2)ccc(O)c1 10363069 1 NB2011_Metz 7.8 1 1 0 100% 1 QEWSTOOMTBAUAG-UHFFFAOYSA-N O=c1c2c(n(c3c(cc(O)cc3)C)cc1C(=O)NN)cc(cc2)c1ccncc1 49830915 1 NB2011_Metz 6.8 1 1 0 100% 1 XOVPCPRZRHQFBI-UHFFFAOYSA-N O=c1c2c(n(c3c(cc(O)cc3)C)cc1C(=O)N)cc(cc2)c1ccncc1 19959069 1 NB2011_Metz 6.6 1 1 0 100% 1 XDFBBEWLYKTKAC-UHFFFAOYSA-N O=c1c2c(n(c3c(cc(O)cc3)C)cc1C(=O)OCC)cc(cc2)c1ccccc1 49830916 1 NB2011_Metz 0 0 0 1 100% 0 WNMXOXGXHRHBLO-UHFFFAOYSA-N O=c1c2c(n(c3c(cc(O)cc3)C)cc1C(=O)OCC)cc(cc2)c1ccncc1 49830917 1 NB2011_Metz 6.3 1 1 0 100% 1 JEYOQYMSSQZLJL-UHFFFAOYSA-N [O-][N+](=O)c1cc(c2n3nc(N4CCCCC4)ccc3nn2)ccc1 49830918 1 NB2011_Metz 0 0 0 1 100% 0 IRFDEDLBWHFGGS-UHFFFAOYSA-N FC(F)(F)c1ccc(c2n3nc(NC4CC4)ccc3nn2)cc1 2727417 1 NB2011_Metz 5.1 0 0 1 100% 0 OOWRFBNRKKYLOY-UHFFFAOYSA-N O(c1nc(N2C(Cc3c(C2)cccc3)C(=O)O)nc(OC)c1)C 22965813 1 NB2011_Metz 0 0 0 1 100% 0 KHVGJDSHXSUFAB-UHFFFAOYSA-N O(c1c2c3c(c(n[nH]c3ccc2)c2cc(OC)c(OC)cc2)cc1)C 2876406 1 NB2011_Metz 0 0 0 1 100% 0 VETBKPDTHQZBKH-UHFFFAOYSA-N FC(F)(F)c1cc(ccc1)CCc1ccc(CN2CC(C2)C(=O)O)cc1 49830919 1 NB2011_Metz 0 0 0 1 100% 0 VAOCIPZCVAFPGT-UHFFFAOYSA-N o1c(c2nc3c([nH]2)ccc([N+](=O)[O-])c3)ccc1 615240 1 NB2011_Metz 0 0 0 1 100% 0 MMCKPBBXKNYZPT-UHFFFAOYSA-N Clc1cc(C2=NCC(=O)Nc3sc4c(c23)CCCC4)ccc1 136027077 1 NB2011_Metz 0 0 0 1 100% 0 USHMNZBDAOGLMB-UHFFFAOYSA-N O=C(Nc1cc(cc(c1)C(=NNC(=N)N)C)C(=NNC(=N)N)C)NCCCCCCNC(=O)Nc1cc(cc(c1)C(=NNC(=N)N)C)C(=NNC(=N)N)C 49830921 1 NB2011_Metz 6.5 1 1 0 100% 1 WVPSKSLAZQPAKQ-UHFFFAOYSA-N Fc1c(N2CC3C(C3N)C2)nc2n(c3c(F)cc(F)cc3)cc(c(=O)c2c1)C(=O)O 481696 1 NB2011_Metz 5.1 0 0 1 100% 0 UIRCQOKSJDLYBB-UHFFFAOYSA-N N1(c2c(C(c3c1ccc(N)c3)c1ccccc1)cc(N)cc2)C 49830922 1 NB2011_Metz 0 0 0 1 100% 0 MNKPPPQRDMQANZ-UHFFFAOYSA-N o1nc(n2nnc(c2c2ccccc2)C(=O)NN=C(c2occc2)C)c(n1)N 3453237 1 NB2011_Metz 5.1 0 0 1 100% 0 IMHKMKWSWHFKTM-UHFFFAOYSA-N s1c2c(c(Oc3ccc(C(F)(F)F)cc3)cnc2)cc1c1oc(nn1)C 18516203 1 NB2011_Metz 5.1 0 0 1 100% 0 KYACBMRLQMEIAI-UHFFFAOYSA-N Ic1ccc(Oc2c3c(sc(c3)c3nc(=O)o[nH]3)cnc2)cc1 136027078 1 NB2011_Metz 5.7 0 0 1 100% 0 LXVBELDBJGYFEM-UHFFFAOYSA-N Clc1ccc(Oc2c3c(sc(c3)c3oc(nn3)N)cnc2)cc1 9946124 1 NB2011_Metz 5.1 0 0 1 100% 0 FTOZKRZEPRFQLJ-UHFFFAOYSA-N Clc1ccc(Oc2c3c(sc(N)c3)cnc2)cc1 9814184 1 NB2011_Metz 0 0 0 1 100% 0 FZRQOLPYIUHEQW-UHFFFAOYSA-N n12c(nnc1N)ccc(c2)c1ccccc1 49830923 1 NB2011_Metz 0 0 0 1 100% 0 QKWVMNHEYIXJMJ-UHFFFAOYSA-N n1c2c([nH]c1NN=Cc1c3c([nH]c1)cccc3)cccc2 2850534 1 NB2011_Metz 5.1 0 0 1 100% 0 PWZFWKUHDMFIAL-UHFFFAOYSA-N O=C1c2c(n(nc2)C)CCC1 2765796 1 NB2011_Metz 4.7 0 0 1 100% 0 VWTSLPZPHHTWSU-UHFFFAOYSA-N O=C(Nc1n[nH]c2nc3c(cc12)cccc3)c1ccncc1 49830924 1 NB2011_Metz 5.1 0 0 1 100% 0 HDEZJSLYUKYKAZ-UHFFFAOYSA-N Ic1c2c(n(c1)CC(O)C(O)CN)ncnc2N 49830925 1 NB2011_Metz 5.1 0 0 1 100% 0 JQAOLPKLHNHEJX-UHFFFAOYSA-N Brc1scc(c2[nH]nc(Nc3ccc(N(C)C)cc3)c2)c1 49830926 1 NB2011_Metz 0 0 0 1 100% 0 GZLYXMXZXUBGPD-UHFFFAOYSA-N S1Cc2c(=O)n3nc(cc3[nH]c2C1)c1occc1 - 1 NB2011_Metz 5.1 0 0 1 100% 0 UMZUWOJKZNDZRT-UHFFFAOYSA-N Brc1c(COc2cc(Nc3ncnc4nc(ccc34)C)c(Sc3ccc(O)cc3)cc2)cccc1 25008215 1 NB2011_Metz 0 0 0 1 100% 0 OROAFGSTGRDOFR-UHFFFAOYSA-N O=C(Nc1n[nH]c2nc3c(cc12)cccc3)CCC 49830927 1 NB2011_Metz 5.1 0 0 1 100% 0 BHGSKYNWCFIOHP-UHFFFAOYSA-N O=C(n1nc(NC(=O)CCC)c2c1nc1c(c2)cccc1)CC 49830928 1 NB2011_Metz 5.1 0 0 1 100% 0 YRVHWCZERXVDLL-UHFFFAOYSA-N Fc1c(c2nnc3[nH]nc(NC(=O)CCCN4CCN(CC4)CC)c3c2)cccc1F 49830929 1 NB2011_Metz 5.1 0 0 1 100% 0 KPVCGFZWGAYXMV-UHFFFAOYSA-N Fc1c(c2nnc3[nH]nc(NC(=O)CCCN(C)C)c3c2)cccc1F 6539560 1 NB2011_Metz 5.3 0 0 1 100% 0 BQWACEUCYSZDBQ-UHFFFAOYSA-N Fc1c(c2nnc3[nH]nc(NC(=O)CCC)c3c2)cccc1F 49830930 1 NB2011_Metz 5.1 0 0 1 100% 0 JGHKUPWWROVUGB-UHFFFAOYSA-N O(c1nc(cc(N)c1C#N)C(=O)NCc1c(OC)ccc(OC)c1)C(C)C 49830931 1 NB2011_Metz 5.1 0 0 1 100% 0 XFRGIDBALWLGDZ-UHFFFAOYSA-N Clc1c(OCC)nc(C(=O)NCc2c(S(=O)(=O)N)cccc2)cc1N 49830932 1 NB2011_Metz 5.1 0 0 1 100% 0 PAMZHNHIZCTSRT-UHFFFAOYSA-N Clc1cc2c(=O)c3c(n(O)c2cc1)n(nc3C(F)(F)F)C 23647201 1 NB2011_Metz 5.1 0 0 1 100% 0 PTSPERXSBKTNTF-UHFFFAOYSA-N Clc1cc2c(=O)c3c(n(nc3C)c3ccc(cc3)C)n(O)c2cc1 49830933 1 NB2011_Metz 5.1 0 0 1 100% 0 ITSBKPPNNBPRHM-UHFFFAOYSA-N Clc1cc2c(=O)c3c(n(nc3C)c3cc(OC)ccc3)n(O)c2cc1 49830934 1 NB2011_Metz 0 0 0 1 100% 0 QKSMEUJDXLNQJE-UHFFFAOYSA-N O=c1n([nH]c2[nH]c(=O)cc(c12)C)c1ccccc1 617753 1 NB2011_Metz 0 0 0 1 100% 0 SKKGEOIZBPJZLM-UHFFFAOYSA-N Brc1cc2c(c(c(nc2cc1)c1ccc(cc1)C)CC(=O)O)C(=O)O 49830935 1 NB2011_Metz 0 0 0 1 100% 0 IRLYGKITXNMDSM-UHFFFAOYSA-N Brc1cc2c(c(c(nc2cc1)c1cc(c(cc1)C)C)CC(=O)O)C(=O)O 49830936 1 NB2011_Metz 0 0 0 1 100% 0 JVURXNNRGXPWGP-UHFFFAOYSA-N O=C1NN=C(NC(C)C)C1=Cc1[nH]c2c(c1)cccc2 - 1 NB2011_Metz 0 0 0 1 100% 0 BTHLNBWTKKAULX-UHFFFAOYSA-N [nH]1nc(c2c(c(cnc12)C#N)c1ccccc1)C 49830938 1 NB2011_Metz 5.1 0 0 1 100% 0 SACRIVBWIXWZAH-UHFFFAOYSA-N Oc1nc2[nH]nc(c2c(c1)C)c1cc(c2c(OCC)cccc2)ccc1 136027079 1 NB2011_Metz 0 0 0 1 100% 0 TWZGZONUMONWKF-UHFFFAOYSA-N Oc1nc2[nH]nc(c2c(c1)C)c1cc(c2ccc(cc2)C#N)ccc1 136027080 1 NB2011_Metz 0 0 0 1 100% 0 NQWXPDWPIHDISD-UHFFFAOYSA-N n12c(c3ccccc3)cccc1cnc2N 49830941 1 NB2011_Metz 0 0 0 1 100% 0 BLGGTXOVNVHSSV-UHFFFAOYSA-N n12c(ncc1cccc2)c1ccccc1 606670 1 NB2011_Metz 0 0 0 1 100% 0 CXZZKTFGTNQHGD-UHFFFAOYSA-N O(c1cc(cnc1)CCc1ccncc1)CC1N(CC1)C 18458813 1 NB2011_Metz 5.1 0 0 1 100% 0 YKDUCUOEQZDTMD-UHFFFAOYSA-N O(c1cc(cnc1)CCc1ccccc1)CC1N(CCC1)C 18458840 1 NB2011_Metz 5.1 0 0 1 100% 0 BIEPHDZCYSYPIQ-UHFFFAOYSA-N Oc1cc(C=Nc2c3c(nc(c2)C)cccc3)ccc1O 136027081 1 NB2011_Metz 0 0 0 1 100% 0 NECQZMQPXFYVOY-UHFFFAOYSA-N Clc1cc2c(nc(nc2cc1)NC1CCCCC1)NCc1c(OC)cccc1OC 49830943 1 NB2011_Metz 0 0 0 1 100% 0 BUMDIHXPDAJSFZ-UHFFFAOYSA-N O=C1NCCc2c3c([nH]c12)ccc(c3)C(=O)OCC 49830944 1 NB2011_Metz 5.1 0 0 1 100% 0 QCBXPKZNRQQCPS-UHFFFAOYSA-N O=C(NC(CC(C)C)CO)C=Cc1c2c(c(nc1)N)cccc2 49830945 1 NB2011_Metz 0 0 0 1 100% 0 SVUIYNKSDCANAY-UHFFFAOYSA-N Clc1c(OCc2sc(c(n2)C)c2nc(ncc2)N)cccc1 2744272 1 NB2011_Metz 5.1 0 0 1 100% 0 ZPXPEKQMLOAPLT-UHFFFAOYSA-N S(c1ccc(c2nc(c([nH]2)c2ccncc2)c2ccc(F)cc2)cc1)C 9841863 1 NB2011_Metz 5.1 0 0 1 100% 0 FHYUGAJXYORMHI-UHFFFAOYSA-N O1c2cc(c3nc([nH]c3c3ncccc3)c3ccc(cc3)C(=O)N)ccc2OC1 4521392 1 NB2011_Metz 0 0 0 1 100% 0 SQHVNLMMXFILAH-UHFFFAOYSA-N O=C1NCCNc2ncnc(N)c12 49830946 1 NB2011_Metz 0 0 0 1 100% 0 AEZICWXXUCODMN-UHFFFAOYSA-N Clc1nnc2[nH]c3c([nH]c(=O)c2c1)cccc3 49830947 1 NB2011_Metz 5.1 0 0 1 100% 0 IFQICUARAXVEIQ-UHFFFAOYSA-N Ic1nnc2[nH]c3c([nH]c(=O)c2c1)cccc3 11993789 1 NB2011_Metz 5.1 0 0 1 100% 0 MHEQZGILOSVPBZ-UHFFFAOYSA-N Brc1ccc(C2=NOC(=O)C2=Cc2cc(OC)c(OC)cc2)cc1 49830948 1 NB2011_Metz 5.1 0 0 1 100% 0 YQXQYKCOLFIDGX-UHFFFAOYSA-N n12nc(nc1ncc(c2)c1ccccc1)N 49830949 1 NB2011_Metz 0 0 0 1 100% 0 CQMXVRSRZTVQPU-UHFFFAOYSA-N s1c2n(nc(n2)N)c(c1)C 733193 1 NB2011_Metz 0 0 0 1 100% 0 HZGYSSZTTMUCJE-UHFFFAOYSA-N Fc1cc(CNc2nc(c3ccncc3)cc(=O)[nH]2)cc(F)c1 136027082 1 NB2011_Metz 0 0 0 1 100% 0 UJLAWZDWDVHWOW-UHFFFAOYSA-N O=C(N1CC(N(c2ncnc3[nH]ccc23)C)C(CC1)C)CC#N 9818231 1 NB2011_Metz 5.2 0 0 1 100% 0 CCOHWQFOFWCBMH-UHFFFAOYSA-N O=C(N1CC(N(c2ncnc3[nH]ccc23)C)C(CC1)C)CO 22282869 1 NB2011_Metz 5.1 0 0 1 100% 0 PGBNWWRYAOTNHC-UHFFFAOYSA-N Clc1cc2NC3=C(Sc2cc1)C(=O)CC(C3)(C)C 741186 1 NB2011_Metz 5.1 0 0 1 100% 0 BVIAOQMSVZHOJM-UHFFFAOYSA-N n1c2c(N(C)C)ncnc2[nH]c1 3134 1 NB2011_Metz 4.9 0 0 1 100% 0 QWQODLSLHIZPTE-UHFFFAOYSA-N [nH]1ncc2c(N(C)C)ncnc12 221159 1 NB2011_Metz 0 0 0 1 100% 0 HHHWHXLLZCRLAO-UHFFFAOYSA-N Clc1cc(c2n[nH]cc2c2ncncc2)ccc1Cl 49830951 1 NB2011_Metz 5.1 0 0 1 100% 0 JZSWBZHJDCDLHK-UHFFFAOYSA-N s1c2c(ncnc2N)c2c1nc(cc2C)C 695484 1 NB2011_Metz 5.1 0 0 1 100% 0 BAKPHSFGCXAQQE-UHFFFAOYSA-N Clc1cc(n2c3c(cc2)cc(cc3)C(=O)N)ccc1 49830952 1 NB2011_Metz 0 0 0 1 100% 0 PHMQDWBSDYUPSP-UHFFFAOYSA-N Fc1cc(Cn2c3c(c(c4cc5[nH]c6c([nH]c(=O)c5cc4)cc(cc6)CCOc4ccc(N5CCOCC5)cc4)c2)ccnc3)cc(F)c1F 49830953 1 NB2011_Metz 5.1 0 0 1 100% 0 JAMDNXUAYUHJLJ-UHFFFAOYSA-N s1c(n2c3c(nc2)cc(OC)c(OC)c3)cc(OCc2c(C(F)(F)F)cccc2)c1C(=O)O 25263111 1 NB2011_Metz 5.1 0 0 1 100% 0 JSKUWFIZUALZLX-UHFFFAOYSA-N s1c(n2c3c(nc2)cc(OC)c(OC)c3)cc(OCc2c(C(F)(F)F)cccc2)c1C(=O)N 9826308 1 NB2011_Metz 0 0 0 1 100% 0 ITAJXWHXKVYGCF-UHFFFAOYSA-N s1c(n2c3c(nc2)cccc3)cc(OCc2c(C(F)(F)F)cccc2)c1C(=O)N 10409707 1 NB2011_Metz 5.1 0 0 1 100% 0 DPKLKYARCKQSMJ-UHFFFAOYSA-N Brc1c2n(nc1)c(N)c(cn2)C#N 4200522 1 NB2011_Metz 0 0 0 1 100% 0 WDHFCSOENXEMRC-UHFFFAOYSA-N Clc1nc(N)c(cn1)C#N 2801166 1 NB2011_Metz 0 0 0 1 100% 0 XIGKXHDSMKIXJG-UHFFFAOYSA-N Clc1nc2[nH]c(=O)[nH]c2cn1 5356633 1 NB2011_Metz 0 0 0 1 100% 0 MTUYEDAOTOYINR-UHFFFAOYSA-N Clc1ccc(Cn2c(c(SC(C)(C)C)c3c2ccc(c3)C(C)C)CC(CNCCCO)(C)C)cc1 15042063 1 NB2011_Metz 5.6 0 0 1 100% 0 JGBCLJZMLUMHOO-UHFFFAOYSA-N s1c(c(nc1NCCCC)N)C(=O)c1ccccc1 49830954 1 NB2011_Metz 0 0 0 1 100% 0 JDIIVNYWTTWCFA-UHFFFAOYSA-N Clc1c(OC)cc2nc(NCC)c(nc2c1)NCC 49830955 1 NB2011_Metz 5.1 0 0 1 100% 0 UQFRSHRWRKYNDE-UHFFFAOYSA-N Clc1cc(c2nc(n(c2c2nc(ncc2)NC2CCCCC2)CCC)C2CCNCC2)ccc1Cl 447873 1 NB2011_Metz 6 1 1 0 100% 1 KSFQCYGGGNTPKE-UHFFFAOYSA-N O=c1n(nc(c(c1N)c1ccccc1)C)C 49830956 1 NB2011_Metz 0 0 0 1 100% 0 RZDNYNCXGHYUOC-UHFFFAOYSA-N O=c1n(nc(c(c1N)C(=O)C)c1ccccc1)C 13811517 1 NB2011_Metz 0 0 0 1 100% 0 XXOUSVFPQDXXCM-UHFFFAOYSA-N OC(c1c(n[nH]c(=O)c1N)c1ccccc1)(C)C 49830957 1 NB2011_Metz 0 0 0 1 100% 0 NTSBZVCEIVPKBJ-UHFFFAOYSA-N Brc1cc2c3c([nH]c2cc1)c1ncccc1NC(=O)C3 6538897 1 NB2011_Metz 5.1 0 0 1 100% 0 ILQIGZWJHNZUGE-UHFFFAOYSA-N O=c1[nH][nH]c2c1c(c1ccccc1)ccc2 49830958 1 NB2011_Metz 0 0 0 1 100% 0 CWBWMDSAVFJNAD-UHFFFAOYSA-N O=C(N)c1c2ncccc2cc(c1)c1cc(N)ccc1 49830959 1 NB2011_Metz 5.1 0 0 1 100% 0 VOAZYSSSBBQYMU-UHFFFAOYSA-N Fc1c(c2nc3n(c2c2nn4c(nnc4cc2)C(CO)(C)C)CCC3)ccc(F)c1 49830960 1 NB2011_Metz 5.1 0 0 1 100% 0 UEJXQVWENDKSJQ-UHFFFAOYSA-N Fc1c(c2nc3n(c2c2nn4c(nnc4cc2)C(O)(C)C)CCC3)ccc(F)c1 25167971 1 NB2011_Metz 5.1 0 0 1 100% 0 TUDIKYFSCUIAIT-UHFFFAOYSA-N Fc1ccc(c2ncc(cc2)CNc2ccc(cc2)C)cc1 49830961 1 NB2011_Metz 0 0 0 1 100% 0 DGYDIEIMGSEYDK-UHFFFAOYSA-N n1[nH]cc2c1c1c(C2)cccc1 3392643 1 NB2011_Metz 0 0 0 1 100% 0 NTMHUKHTTYWAIC-UHFFFAOYSA-N FC(F)(F)c1ccc(c2n[nH]cc2CNc2ccc(cc2)C(=O)CCC)cc1 49830962 1 NB2011_Metz 0 0 0 1 100% 0 PQOAVBVTXNJMCM-UHFFFAOYSA-N s1cc(c2cc3c(cc2)cnc(NCCO)c3)cc1 49830963 1 NB2011_Metz 5.1 0 0 1 100% 0 IIRXSFAOXPAZJZ-UHFFFAOYSA-N OCCNc1ncc2c(cc(c3ccncc3)cc2)c1 49830964 1 NB2011_Metz 5.1 0 0 1 100% 0 PDZXQHANGFVRBL-UHFFFAOYSA-N OCCNc1ncc2c(cc(c3ccccc3)cc2)c1 49830965 1 NB2011_Metz 5.1 0 0 1 100% 0 OTDQOKVNUPSUAI-UHFFFAOYSA-N n12c3c(nc1ncnc2N)cccc3 12666261 1 NB2011_Metz 0 0 0 1 100% 0 UMTWTCVTRDYHQQ-UHFFFAOYSA-N FC(F)(F)c1cc(CC(N)COc2cc(c3ncc4[nH]nc(c4c3)C)cnc2)ccc1 49830966 1 NB2011_Metz 0 0 0 1 100% 0 CSQQBGXAZRAXLV-UHFFFAOYSA-N Brc1c2c(=O)n3c(nc2ccc1)C(=O)c1c3ccc([N+](=O)[O-])c1 49830967 1 NB2011_Metz 0 0 0 1 100% 0 VMOVZKURWYNTLN-UHFFFAOYSA-N O=C(Nc1nocc1)c1cc(Nc2ncnc3n(ncc23)c2ccccc2)c(cc1)C 16730109 1 NB2011_Metz 5.1 0 0 1 100% 0 PZZGDHAAAAALDY-UHFFFAOYSA-N o1ncc2c1c(OC)ccc2c1ccc(N)cc1 49830968 1 NB2011_Metz 0 0 0 1 100% 0 UXQLMVSZSYZFID-UHFFFAOYSA-N FC(F)(F)Oc1ccc(NC(=O)Nc2ccc(c3c4c(onc4N)c(OC)cc3)cc2)cc1 11856995 1 NB2011_Metz 0 0 0 1 100% 0 UUYUVYXSHUTRGO-UHFFFAOYSA-N Clc1c2c(c(O)c(=O)[nH]c2cc(Cl)c1)c1c(O)ccc(Cl)c1 9820089 1 NB2011_Metz 5.1 0 0 1 100% 0 WNJPSYHJVTYTBP-UHFFFAOYSA-N s1c(nc(c2n3c(nc2C)cccc3)c1)Nc1ccc(O)cc1 3128424 1 NB2011_Metz 5.1 0 0 1 100% 0 NMHMCXTYPRADBA-UHFFFAOYSA-N O=c1c2c([nH]c3c1ccc(c3)C(C)C)nccc2C 49830969 1 NB2011_Metz 0 0 0 1 100% 0 BMKHCMLGQGVJTF-UHFFFAOYSA-N O=C(N)c1n2nc(cc2nc(c1)C)C(C)(C)C 49830970 1 NB2011_Metz 0 0 0 1 100% 0 HQOCNFJGTTWKHC-UHFFFAOYSA-N O=c1[nH][nH]c2[nH]c(=O)cc(c12)C(C)C 49830971 1 NB2011_Metz 0 0 0 1 100% 0 PKCDDUHJAFVJJB-UHFFFAOYSA-N OC1(CC(c2n3c(c(n2)c2cc4nc(ccc4cc2)c2ccccc2)c(ncc3)N)C1)C 11640390 1 NB2011_Metz 5.1 0 0 1 100% 0 CQFVDHNTTRWVQD-UHFFFAOYSA-N O(c1cc(c2nc(n3c2c(ncc3)N)C2CC(C2)CN2CCCC2)ccc1)Cc1ccccc1 11442386 1 NB2011_Metz 5.1 0 0 1 100% 0 NMWSFHOBJVDICZ-UHFFFAOYSA-N o1nc(n2nnc(c2c2ccccc2)C(=O)NN=Cc2ccncc2)c(n1)N 1035509 1 NB2011_Metz 5.1 0 0 1 100% 0 YDUXTSHETLPZQZ-UHFFFAOYSA-N s1c(C=NNC(=O)c2nnn(c2c2ccccc2)c2nonc2NC(=O)C)ccc1 49830972 1 NB2011_Metz 0 0 0 1 100% 0 OHKLNNMLTJFVDC-UHFFFAOYSA-N o1nc(n2nnc(c2)CO)c(n1)N 543034 1 NB2011_Metz 0 0 0 1 100% 0 NZYKZHPKVOMUTF-UHFFFAOYSA-N s1c2nc(n(c2cc1C(=O)N)C)N 49830973 1 NB2011_Metz 0 0 0 1 100% 0 CEYGJHYWLYBCSP-UHFFFAOYSA-N s1c2nc(n(c2cc1)C)N 49830974 1 NB2011_Metz 0 0 0 1 100% 0 GGDSNCJKPWDFQP-UHFFFAOYSA-N s1c2n(nc(c2cc1C(=O)N)C)C 43237179 1 NB2011_Metz 0 0 0 1 100% 0 UVZVWLFSZNPMBS-UHFFFAOYSA-N S(c1c(CNc2nc(NCC3CCC(CC3)CN)c([N+](=O)[O-])cn2)cccc1)C 44440493 1 NB2011_Metz 7.7 1 1 0 100% 1 TUJUZVJICDSNLY-UHFFFAOYSA-N Clc1c(CNc2nc(NCC3CCC(CC3)CN)c([N+](=O)[O-])cn2)cccc1 16727123 1 NB2011_Metz 7.3 1 1 0 100% 1 IKYYBGDSXDEYBE-UHFFFAOYSA-N [nH]1ncc2c1CCC(C2)c1ccccc1 49830975 1 NB2011_Metz 0 0 0 1 100% 0 PGSUFHVQHTYLLT-UHFFFAOYSA-N [nH]1ncc2C(c3ccccc3)CCc12 49830976 1 NB2011_Metz 0 0 0 1 100% 0 DPHSADMVBJRSKZ-UHFFFAOYSA-N [nH]1ncc2c1CC(C2)c1ccccc1 49830977 1 NB2011_Metz 0 0 0 1 100% 0 ZWENVGPTFUGBBT-UHFFFAOYSA-N O(c1c(OC)cc(c2nn(c(=O)cc2)Cc2cc(ccc2)C)cc1OC)C 7671717 1 NB2011_Metz 0 0 0 1 100% 0 MHHTXOIOMYDUOQ-UHFFFAOYSA-N FC(F)(F)Oc1ccc(c2cc3c([nH]c(c3)CCN3C(CCC3)C)cc2)cc1 21979999 1 NB2011_Metz 6 1 1 0 100% 1 GVPOWKVWVGYUKF-UHFFFAOYSA-N FC(F)(F)Oc1ccc(c2cc3c(C4=CCNCC4)c[nH]c3cc2)cc1 49830978 1 NB2011_Metz 5.8 0 0 1 100% 0 YRVUIUXIVOZCGV-UHFFFAOYSA-N FC(F)(F)Oc1ccc(CC(=O)N2CCC3(NCCc4c3[nH]c3c4cccc3)CC2)cc1 49830979 1 NB2011_Metz 0 0 0 1 100% 0 FYYNFIZWOMBUTO-UHFFFAOYSA-N Brc1cc2C(=C3SC(=S)NC3=O)C(=O)Nc2cc1 - 1 NB2011_Metz 5.1 0 0 1 100% 0 WGYAMRMJVUNILQ-UHFFFAOYSA-N Clc1cc2c(c(C3=NNC(C3)c3ccccc3)c(=O)[nH]c2cc1)c1ccccc1 136027083 1 NB2011_Metz 5.1 0 0 1 100% 0 LGAUPFRHNGMZDU-UHFFFAOYSA-N O=C1N(N=C(C1=NNc1c2c(c(=O)[nH][nH]c2=O)ccc1)c1ccccc1)c1ccccc1 - 1 NB2011_Metz 5.1 0 0 1 100% 0 JXQALZUQMVXFAC-UHFFFAOYSA-N Ic1cc(F)c(Nc2c(C(=O)NOCCNC)ccc(F)c2F)cc1 10164042 1 NB2011_Metz 0 0 0 1 100% 0 SVDMUWJUTICXSY-UHFFFAOYSA-N O=C(Nc1nn2c(c1)cccc2)C 22402079 1 NB2011_Metz 0 0 0 1 100% 0 UVTOQVBDNLWPLP-UHFFFAOYSA-N Brc1c2n(nc1O)cccc2 12284431 1 NB2011_Metz 0 0 0 1 100% 0 ZWVZORIKUNOTCS-UHFFFAOYSA-N Clc1cc(C(O)CNc2c(c3nc4c([nH]3)cc(N3CCOCC3)cc4C)c(=O)[nH]cc2)ccc1 135398504 1 NB2011_Metz 5.2 0 0 1 100% 0 WBQBMMMQJSJEJT-UHFFFAOYSA-N O=c1[nH]ccc(NCC(O)c2ccccc2)c1c1nc2c([nH]1)cc(N1CCOCC1)cc2C 136027084 1 NB2011_Metz 0 0 0 1 100% 0 QYFQPPSZJOXIML-UHFFFAOYSA-N O=c1[nH]ccc(NCCc2ccccc2)c1c1nc2c([nH]1)cc(N1CCOCC1)cc2C 136027085 1 NB2011_Metz 0 0 0 1 100% 0 VOXXNSOMSGHJJR-UHFFFAOYSA-N n1[nH]cc(c1c1ccccc1)c1ccncc1 5207138 1 NB2011_Metz 5.6 0 0 1 100% 0 NPHKXSDZIKFIRU-UHFFFAOYSA-N n1nc2[nH]nc(N)c2c(c1c1ccccc1)c1ccccc1 6263849 1 NB2011_Metz 5.1 0 0 1 100% 0 PNZWDJAFLKBLMT-UHFFFAOYSA-N Clc1c(C(=O)N=c2sc(c(n2CCOC)C)C)cc(SC)cc1 49830984 1 NB2011_Metz 0 0 0 1 100% 0 UCEVASZFLAMHAD-UHFFFAOYSA-N S1c2c(c3n[nH]cc3C1)cc(F)cc2 49830985 1 NB2011_Metz 0 0 0 1 100% 0 HUNAOTXNHVALTN-UHFFFAOYSA-N Clc1cc(c2n[nH]c(c2c2ccc(OC)cc2)C(=O)NCC)c(O)cc1O 4369536 1 NB2011_Metz 0 0 0 1 100% 0 IUUVJFSKAMMCEA-UHFFFAOYSA-N Clc1ccc(c2c(O)c(cc(Nc3nc(ncn3)N)c2)CNC(=O)C(F)(F)F)cc1 49830987 1 NB2011_Metz 5.1 0 0 1 100% 0 HSKAZIJJKRAJAV-UHFFFAOYSA-N O(c1nc(N2CCOCC2)cc(n1)NN=Cc1cc(ccc1)C)CCc1ncccc1 49830988 1 NB2011_Metz 5.1 0 0 1 100% 0 WXUFSUOATCYYET-UHFFFAOYSA-N O(c1nc(N2CCOCC2)cc(n1)NN)CCc1ncccc1 672301 1 NB2011_Metz 5.1 0 0 1 100% 0 XUWWMFMANNCOKB-UHFFFAOYSA-N s1c2c(NCCNC2=O)c(c1)C(=O)O 49830989 1 NB2011_Metz 0 0 0 1 100% 0 LCXGDFFDLBKSKV-UHFFFAOYSA-N s1c2c(NCCC2=O)c(c1)C(=O)N 49830990 1 NB2011_Metz 0 0 0 1 100% 0 VBNVOUSYMPNLEN-UHFFFAOYSA-N n12c(c3ccccc3)cccc1ncc2 18001010 1 NB2011_Metz 0 0 0 1 100% 0 KKBGOEDJXYSSBS-UHFFFAOYSA-N n12c(c3c(cccc3)C)cccc1ncc2 49830991 1 NB2011_Metz 0 0 0 1 100% 0 JBRASADWXDKCLJ-UHFFFAOYSA-N Clc1ccc(C2C(C(=O)C(=C(C2)c2ccccc2)C#N)C(=O)c2ccccc2)cc1 12678237 1 NB2011_Metz 0 0 0 1 100% 0 QLWUDWMYFSWGHK-UHFFFAOYSA-N Clc1nc(nc(NCc2ccccc2)c1)Nc1n[nH]c(c1)C 49830992 1 NB2011_Metz 0 0 0 1 100% 0 OWPMENVYXDJDOW-UHFFFAOYSA-N O1c2cc(c3c(n[nH]c3C)c3c(O)cc(O)c(c3)CC)ccc2OCC1 984170 1 NB2011_Metz 0 0 0 1 100% 0 ZKOYCMCWNDWXSA-UHFFFAOYSA-N S=C1NC(=O)C(=Cc2oc(c3cc(O)c(cc3)C(=O)O)cc2)C(=O)N1 3107492 1 NB2011_Metz 0 0 0 1 100% 0 WNTAZUFBXXQBAO-UHFFFAOYSA-N N1=C(c2ccccc2)CCNc2ncnc(N)c12 10705154 1 NB2011_Metz 0 0 0 1 100% 0 RLBVMDNZMOAABQ-UHFFFAOYSA-N s1nc2c(n1)cccc2NC(=O)NN=Cc1c(O)cc(O)cc1 4121107 1 NB2011_Metz 6.1 1 1 0 100% 1 SDPIVLIBDDEFHL-UHFFFAOYSA-N Clc1ccc(CC(=O)Nc2[nH]nc3c2CCC3)cc1 9814156 1 NB2011_Metz 5.1 0 0 1 100% 0 BHCBGXUOUYKLCO-UHFFFAOYSA-N Fc1ccc(C2=NCC(=O)Nc3[nH]ncc23)cc1 136027086 1 NB2011_Metz 0 0 0 1 100% 0 OCYCHLUIIFERGO-UHFFFAOYSA-N o1c2c(c3[nH]c(nc3c1=O)c1ccccc1)cccc2 6612485 1 NB2011_Metz 0 0 0 1 100% 0 BIYJECFCAQGGQH-UHFFFAOYSA-N o1c(=O)c(c([nH]c1=O)C)c1ccccc1 13547088 1 NB2011_Metz 0 0 0 1 100% 0 AWZXFVMIUDFKMX-UHFFFAOYSA-N [O-][N+](=O)c1cc2c(c(nn(c2C)C)C)c1 902123 1 NB2011_Metz 0 0 0 1 100% 0 XUGXUDSTKPTWNB-UHFFFAOYSA-N O=C(NC(C)(C)C)c1cc2nc3c([nH]c4c3cccc4)nc2cc1 49830994 1 NB2011_Metz 5.1 0 0 1 100% 0 DZRLVSOGARUEGQ-UHFFFAOYSA-N o1c2c3c(n[nH]c(=O)c3ccc2)c2c1ccc(c2)CN1CCN(CC1)C 11739525 1 NB2011_Metz 0 0 0 1 100% 0 CPRAGQJXBLMUEL-UHFFFAOYSA-N O=c1n2c(nc(N3CCOCC3)c1)c(cc(c2)C)C(Nc1ccccc1)C 9907093 1 NB2011_Metz 0 0 0 1 100% 0 WDKDZAISMRAXQL-UHFFFAOYSA-N O=c1n(cc(c2c1cc(OC)c(OC)c2)C(=O)NCCCC)C(CC)CC 49830995 1 NB2011_Metz 0 0 0 1 100% 0 WFHNZLFPQCGIRS-UHFFFAOYSA-N O=C1NN=c2n(C1)cc(cc2)C 49830996 1 NB2011_Metz 0 0 0 1 100% 0 IXMXIYMXYNPPHI-UHFFFAOYSA-N Fc1ccc(C(Nc2nc(n3c4c(nc3)cccc4)cnc2)C)cc1 10042438 1 NB2011_Metz 0 0 0 1 100% 0 YYPKOMNJRZRWIC-UHFFFAOYSA-N S(=O)(=O)(Nc1cc(c(c2c(OCOC)cccc2OCOC)cc1)C(=O)OC)C 18189414 1 NB2011_Metz 0 0 0 1 100% 0 MFHIORLTERCBNH-UHFFFAOYSA-N S(c1nc2nc[nH]c2c(n1)N)CC(=O)Nc1ncccn1 3385348 1 NB2011_Metz 0 0 0 1 100% 0 KOYXXLLNCXWUNF-UHFFFAOYSA-N FC(F)(F)c1cc(Cn2ncc(c3nc4n(c(=O)n(c(=O)c4[nH]3)CCC)CC)c2)ccc1 11270783 1 NB2011_Metz 0 0 0 1 100% 0 DPGOGZIPYMKAOF-UHFFFAOYSA-N Oc1n(nc(c1)c1ccncc1)c1ccc([N+](=O)[O-])cc1 - 1 NB2011_Metz 0 0 0 1 100% 0 YDOPLCNFRXOHCC-UHFFFAOYSA-N O(c1c(OC)ccc(c1)C=NNc1ncnc2c1[nH]c1c2cccc1)C 49830998 1 NB2011_Metz 5.1 0 0 1 100% 0 NKUFVXRKKRVOQA-UHFFFAOYSA-N S(CC1C2C(C(C2)CC1)(C)C)C(C(=O)N)C 49830999 1 NB2011_Metz 0 0 0 1 100% 0 PNPBXXNNLJGHBP-UHFFFAOYSA-N O1c2c(N3C(=NNC(=O)C3)C1)cccc2 3071991 1 NB2011_Metz 0 0 0 1 100% 0 SSNUTEUZXZIYTB-UHFFFAOYSA-N Brc1cc2c([nH]nc2N)nc1 9834334 1 NB2011_Metz 0 0 0 1 100% 0 FDGPDTWORUVKQX-UHFFFAOYSA-N s1c2n(c(=O)c(cn2)C(=O)O)cc1 762362 1 NB2011_Metz 0 0 0 1 100% 0 AIFRHYZBTHREPW-UHFFFAOYSA-N [nH]1c2c(c3c1cccc3)ccnc2 64961 1 NB2011_Metz 0 0 0 1 100% 0 HKSZLNNOFSGOKW-ZYSRIHRCSA-N O1[C@@]2(n3c4c5n(c6c(c5c5c(c4c4c3cccc4)CNC5=O)cccc6)C1CC(NC)C2OC)C 49831000 1 NB2011_Metz 8.5 1 1 0 100% 1 YRMXRRQDAYFXOL-UHFFFAOYSA-N O=C(Nc1c(c(O)ccc1)C)c1c2n(nc1)c(c1ccccc1)ccn2 49831001 1 NB2011_Metz 5.1 0 0 1 100% 0 JEIMLAZQABXLEV-UHFFFAOYSA-N n12ncc(c1nccc2c1ccccc1)C#N 1480415 1 NB2011_Metz 0 0 0 1 100% 0 STFRNQJMPQIRPD-UHFFFAOYSA-N Clc1cc2c(cc(nc2cc1)c1ccc(OC)cc1)c1ccccc1 309231 1 NB2011_Metz 0 0 0 1 100% 0 SYLTYCLPHHSEIJ-UHFFFAOYSA-N [O-][N+](=O)c1cc2[nH]c(nc2cc1)Nc1ncc(cc1)C 49831002 1 NB2011_Metz 5.1 0 0 1 100% 0 KNWWRJAPDGOPBT-UHFFFAOYSA-N S(=O)(=O)(Nc1ccc(c2c3c(sc2)ncnc3N)cc1)c1c(OCCCC)ccc(c1)C(CC)(C)C 49831003 1 NB2011_Metz 0 0 0 1 100% 0 XHSQDZXAVJRBMX-UHFFFAOYSA-N Clc1cc2n(C3OC(C(O)C3O)CO)cnc2cc1Cl 3165 1 NB2011_Metz 0 0 0 1 100% 0 HAWCKXFSLRGWOK-UHFFFAOYSA-N Clc1ccc(c2nn(cc2c2ncncc2)CCOC)cc1 49831004 1 NB2011_Metz 5.1 0 0 1 100% 0 HTROFVQKJODSCL-UHFFFAOYSA-N O(c1cc2c(nc(nc2cc1)c1cc(NC(=O)CCC)ccc1)Nc1cc2c([nH]nc2)cc1)CCN1CCCC1 25012088 1 NB2011_Metz 5.5 0 0 1 100% 0 TYDXNFSXGZAXGM-UHFFFAOYSA-N O(c1cc2c(nc(nc2cc1)c1cc(NC(=O)CCC)ccc1)Nc1cc2c([nH]nc2)cc1)CCOC 25012250 1 NB2011_Metz 0 0 0 1 100% 0 DNUARRYUJCTBON-UHFFFAOYSA-N Clc1cc2c(n(OCC(C)C)c3n(nc(c3c2=O)C)C)cc1 49831005 1 NB2011_Metz 5.1 0 0 1 100% 0 APAXIHMQFUOISM-UHFFFAOYSA-N Clc1cc2c(n(OCCC)c3n(nc(c3c2=O)C)C)cc1 23647212 1 NB2011_Metz 5.1 0 0 1 100% 0 HNODKCFEFLQKBO-UHFFFAOYSA-N Clc1cc2n(c3[nH]oc(=O)c3c(=O)c2cc1O)CC 25032704 1 NB2011_Metz 5.1 0 0 1 100% 0 HXWWNIUEVOHPKT-UHFFFAOYSA-N Clc1cc2n(c3[nH]oc(=O)c3c(=O)c2cc1F)CC 25190453 1 NB2011_Metz 5.1 0 0 1 100% 0 DOGNCGBSVBMNBC-UHFFFAOYSA-N Clc1cc2NC3(Nc2cc1)CCCCC3 13381843 1 NB2011_Metz 0 0 0 1 100% 0 KTRGYJLQTZDGPX-UHFFFAOYSA-N O=C1NC(=O)c2ncc3c(c12)cc(OC)c(OC)c3 15314616 1 NB2011_Metz 5.1 0 0 1 100% 0 ULVWJFBHQIXEPE-UHFFFAOYSA-N O=C1NC(=O)c2nc(c3c(c12)cc(OC)c(OC)c3)CC 23829003 1 NB2011_Metz 5.1 0 0 1 100% 0 AEYLJTAIDDIOBA-UHFFFAOYSA-N O=C(N1CCNCC1)c1c(O)cc(NC(=O)CC)cc1 49831006 1 NB2011_Metz 0 0 0 1 100% 0 RWOSYWBJWNWJKX-UHFFFAOYSA-N n1c2c(Nc3ncccn3)cc(NCCc3ccccc3)cc2ccc1N 45271242 1 NB2011_Metz 0 0 0 1 100% 0 ZFMQMTAMXRLLHN-UHFFFAOYSA-N O=c1n(c(=O)c2c3c1ccc(NCCCC)c3ccc2)CCNCCO 13984334 1 NB2011_Metz 5.1 0 0 1 100% 0 WHRCWROQSJHEBV-UHFFFAOYSA-N O=c1n(cc(c2c(c(NC(=O)c3ccc(C(C)(C)C)cc3)ccc2)C)cc1Nc1ncc(C(=O)N2CCOCC2)cc1)C 46894109 1 NB2011_Metz 0 0 0 1 100% 0 DGVVZCKWBRQGCX-UHFFFAOYSA-N O=c1n(cc(c2c(c(NC(=O)c3ccc(C(C)(C)C)cc3)ccc2)CO)cc1Nc1ncc(C(=O)N2CCOCC2)cc1)C 49831007 1 NB2011_Metz 0 0 0 1 100% 0 DPEXRCOBPACFOO-UHFFFAOYSA-N Clc1c(c2c3c(c4c([nH]c5c4cc(O)cc5)c2)c(=O)[nH]c3=O)cccc1 10384072 1 NB2011_Metz 0 0 0 1 100% 0 BLQYVHBZHAISJM-UHFFFAOYSA-N N1(c2nc(nc(Nc3n[nH]c(c3)C)c2)C=Cc2ccccc2)CCN(CC1)C 49831008 1 NB2011_Metz 5.1 0 0 1 100% 0 VBUWAJWPXASNGM-UHFFFAOYSA-N S(c1nn(c(N)c1C(=O)N)c1ncccc1)C 11299662 1 NB2011_Metz 5.1 0 0 1 100% 0 XTVULKIROSNNTG-UHFFFAOYSA-N s1c(N2Cc3c(C(=O)Nc4sc5c(n4)cccc5)cccc3CC2)nc(c1c1ccc(cc1)CO)C(=O)O 46837054 1 NB2011_Metz 0 0 0 1 100% 0 MFYMBIZGFDNLPT-UHFFFAOYSA-N Clc1cc2nnc3n(nnn3)c2cc1 2801756 1 NB2011_Metz 0 0 0 1 100% 0 RQVKVJIRFKVPBF-UHFFFAOYSA-N O=c1n(c(nc(c1c1cc2c(cc1)cccc2)c1ccncc1)NCC(N)Cc1ccccc1)C 49831009 1 NB2011_Metz 5.3 0 0 1 100% 0 PEEMSUJXJVLHFP-UHFFFAOYSA-N O=c1n(c(nc(c1c1cc(ccc1)C)c1ccncc1)NCC(N)Cc1ccccc1)C 18767859 1 NB2011_Metz 5.2 0 0 1 100% 0 HRJWTAWVFDCTGO-UHFFFAOYSA-N Fc1cc2c(C3=C(c4n5c(nc4)cccc5)C(=O)NC3=O)cn3c2c(c1)CN(CC3)C(=O)N1CCCCC1 10029385 1 NB2011_Metz 5.5 0 0 1 100% 0 INJUVNWOFHYUIN-UHFFFAOYSA-N O=C1NC(=O)C(=C1c1c2c3n(c1)CCN(Cc3ccc2)C(=O)N1CCOCC1)c1n2c(nc1)cccc2 11248978 1 NB2011_Metz 5.2 0 0 1 100% 0 WZZXMNBOPNKKSX-UHFFFAOYSA-N OCC1C2C1CN(C2)Cc1ccc(c2cc3c(Nc4cc(OC)c(Oc5ccccc5)cc4)ncnc3cc2)cc1 22557045 1 NB2011_Metz 5.6 0 0 1 100% 0 GMDDDBPJXVXQKN-UHFFFAOYSA-N s1c2nc(ccc2c(N)c1C(=O)Nc1scc(n1)C)c1ccncc1 47001891 1 NB2011_Metz 5.1 0 0 1 100% 0 KIUHBHFVVQQALF-UHFFFAOYSA-N Fc1c(C(=O)N2CCN(c3ncccn3)CC2)cc(Cc2n[nH]c(=O)c3c2CCCC3)cc1 25002232 1 NB2011_Metz 5.1 0 0 1 100% 0 GCTMBEAVSLUTAW-UHFFFAOYSA-N O=c1[nH]c2c(nc1)cc(N)cc2 45121565 1 NB2011_Metz 0 0 0 1 100% 0 OLUXROHNQRNJJI-UHFFFAOYSA-N o1c(ncc1)C(=NO)CCCCCCC(=O)Nc1cc(c2ccccc2)ccc1 136027087 1 NB2011_Metz 0 0 0 1 100% 0 XZWVOUQIYLZUCJ-UHFFFAOYSA-N O=C1Nc2c(C1c1nc3c(cc1)C(O)CCC3)cc(cc2)C#N 49831011 1 NB2011_Metz 0 0 0 1 100% 0 LJKJYKWDLJUZHA-UHFFFAOYSA-N Clc1cc(c(C(F)(F)F)cc1)CN1c2c(ncc(c2)c2cnc(N3CCN(CC3)C)cc2)NCC1 46871637 1 NB2011_Metz 0 0 0 1 100% 0 DLWMVUDMPMKGEE-UHFFFAOYSA-N Clc1c(CN2c3c(ncc(c3)c3cnc(N4CCN(CC4)C)cc3)NCC2)c(F)ccc1F 46906669 1 NB2011_Metz 0 0 0 1 100% 0 CFBADDSSFSYJPF-UHFFFAOYSA-N S(c1c(O)c2c(nc1)c1c(cc2)cncc1)C 49831012 1 NB2011_Metz 6.1 1 1 0 100% 1 KJVWCDAPVMWKLJ-UHFFFAOYSA-N Clc1cc(Nc2[nH]nc(c2c2ccc(O)cc2)c2ccc(O)cc2)ccc1 136027088 1 NB2011_Metz 5.5 0 0 1 100% 0 VIJBEUTVNBPGIU-UHFFFAOYSA-N Oc1ccc(c2c(n[nH]c2Nc2ccc(O)cc2)c2ccc(O)cc2)cc1 135566832 1 NB2011_Metz 5.1 0 0 1 100% 0 DJRPFIWIDKXORZ-UHFFFAOYSA-N o1nc(N)c2c(c3cc(O)ccc3)cccc12 49831015 1 NB2011_Metz 5.1 0 0 1 100% 0 DKVMJCMHPQSNGP-UHFFFAOYSA-N s1c2c(c3[nH]ncc3CC2)cc1 13452859 1 NB2011_Metz 0 0 0 1 100% 0 IIIJQZOSLLAVTL-UHFFFAOYSA-N Brc1cc2c3[nH]ncc3Cc2cc1 49831016 1 NB2011_Metz 5.1 0 0 1 100% 0 IXSIPACYEZRASK-UHFFFAOYSA-N Oc1c2c(nc(c3ccncc3)cc2)cnc1 135703865 1 NB2011_Metz 0 0 0 1 100% 0 GQHSVFWCNBWKGM-UHFFFAOYSA-N s1[nH]c(=O)c2c1n(c1c(c2=O)cc(F)c(NCc2ccccc2)c1F)C1CC1 49831017 1 NB2011_Metz 5.7 0 0 1 100% 0 QHKYPYXTTXKZST-UHFFFAOYSA-N Fc1ccc(c2nc([nH]c2c2ccncc2)c2ccc(O)cc2)cc1 5169 1 NB2011_Metz 0 0 0 1 100% 0 VNGYQBMDQMDALH-UHFFFAOYSA-N s1c2n3c(n4c(n[nH]c4=S)c2c2c1CCC2)n[nH]c3=S 1568886 1 NB2011_Metz 5.1 0 0 1 100% 0 FAYAUAZLLLJJGH-UHFFFAOYSA-N Clc1cc(NC(=O)Nc2sc(cn2)CCNc2ncnc3c2scc3)ccc1 24995524 1 NB2011_Metz 5.1 0 0 1 100% 0 PBCVBUZBZRHMQH-UHFFFAOYSA-N Clc1cc(NC(=O)Nc2scc(n2)CCNc2ncnc3c2scc3)ccc1 49831018 1 NB2011_Metz 0 0 0 1 100% 0 IXLOPQOCFOQEQN-UHFFFAOYSA-N Brc1cc(c2nn(c3[nH]c(=O)cc(c23)C(F)(F)F)CCOC(=O)C)ccc1 136027089 1 NB2011_Metz 0 0 0 1 100% 0 MZIKVKYSWHSRDJ-UHFFFAOYSA-N O=c1n2c(ncc2cc[nH]1)c1ccccc1 49831020 1 NB2011_Metz 0 0 0 1 100% 0 GLMWKEAUVZDGKE-UHFFFAOYSA-N Clc1c2Sc3c(N(c2cnc1)C(=O)c1ccc(OC)cc1)cccc3 23882428 1 NB2011_Metz 5.1 0 0 1 100% 0 AXIVWWPYPSYJLD-UHFFFAOYSA-N FC(F)(F)Oc1ccc(c2c(n(c(=O)c(c2)C#N)C)COC(c2n(cnc2)C)c2ccc(cc2)C#N)cc1 44352395 1 NB2011_Metz 5.1 0 0 1 100% 0 IGGNAIYXGIUMQZ-UHFFFAOYSA-N Clc1cc(F)c(c2n[nH]c(c2c2ncncc2)C2CCN(CC2)C(=O)CO)cc1 10364560 1 NB2011_Metz 5.1 0 0 1 100% 0 OKCNACDPDSQZSE-UHFFFAOYSA-N Clc1cc2c3c(c(=N)oc2cc1)c(=O)[nH]c(O)c3C#N 135497772 1 NB2011_Metz 5.1 0 0 1 100% 0 DMQKMONSEGVAJM-UHFFFAOYSA-N s1c2c([nH]c(=O)cc2)c(c1)C(=O)OC 49831021 1 NB2011_Metz 0 0 0 1 100% 0 XBNSDTLFWKORGH-UHFFFAOYSA-N s1c(c2ccc(n3nccc3)cc2)c(nc1NC(=O)NCCC(=O)Nc1noc(c1)C)C 23642173 1 NB2011_Metz 5.1 0 0 1 100% 0 JJJSCYSPSKBQAX-UHFFFAOYSA-N O=C(N)c1c([nH]c(c1)c1nc(ncc1)N)c1c(c(ccc1)C)C 24809769 1 NB2011_Metz 6.1 1 1 0 100% 1 YRPIMMMBNUUYLG-UHFFFAOYSA-N o1c(c2nc(ncc2c2ncncc2)Nc2cnccc2)ccc1 11716665 1 NB2011_Metz 0 0 0 1 100% 0 ZDDSNBRCOKAKNO-UHFFFAOYSA-N O=C(n1ncc2c1ccc(N)c2)C 49831022 1 NB2011_Metz 0 0 0 1 100% 0 WWKWWGIKNDEUJE-UHFFFAOYSA-N s1c2[nH]c(=O)nc(N)c2cc1 25224338 1 NB2011_Metz 0 0 0 1 100% 0 HDRLAVNNWSHSOA-UHFFFAOYSA-N o1c2c(c(=NO)cc1c1ccccc1)cccc2CC=C 49831023 1 NB2011_Metz 0 0 0 1 100% 0 DBXGGXLBTWZXBB-UHFFFAOYSA-N Fc1c2OCCC(n3c4nc(n5c6c(nc5)ccc(F)c6)ncc4[nH]c3=O)c2ccc1 49831024 1 NB2011_Metz 5.9 0 0 1 100% 0 QVNZKVACBBTKSL-UHFFFAOYSA-N o1c2c(c(OC)c(c3nc4c([nH]3)cccc4)c(O)c2)c(=O)cc1C 135536753 1 NB2011_Metz 0 0 0 1 100% 0 DBKQWGCVGCVPIP-UHFFFAOYSA-N Clc1c2c(NC(=O)C)c(sc2ccc1Cl)C(=O)N 49831025 1 NB2011_Metz 5.2 0 0 1 100% 0 SWLRONFWCBZUSI-UHFFFAOYSA-N s1c(=C(C(=O)O)C#N)n(c(=O)c1=CNc1ccccc1)CC 49831026 1 NB2011_Metz 0 0 0 1 100% 0 UOVCGJXDGOGOCZ-UHFFFAOYSA-N Clc1c(c2nc3c([nH]c4c2cc(F)c(OC)c4)n[nH]c3C)cccc1 135398512 1 NB2011_Metz 5.5 0 0 1 100% 0 XKFTZKGMDDZMJI-UHFFFAOYSA-N O=C(N1Cc2c([nH]nc2NC(=O)c2ccc(N3CCN(CC3)C)cc2)C1)C(OC)c1ccccc1 21874004 1 NB2011_Metz 5.2 0 0 1 100% 0 GALJJIOKQTWZKF-UHFFFAOYSA-N FC(F)(F)c1ccc(C(C=Cc2c(nc(nc2C)NCC)NCC)(C)C)cc1 49831027 1 NB2011_Metz 5.1 0 0 1 100% 0 RTPBWIGTGGLQHJ-UHFFFAOYSA-N Clc1sc2c(n1)[nH]nc2N 49831028 1 NB2011_Metz 0 0 0 1 100% 0 SJZYZYMKFRJDEE-UHFFFAOYSA-N s1c2n(c(=O)n(c(=O)c2c(SCCCO)c1Cc1c2c(ccc1)cccc2)C)CC(C)C 5282539 1 NB2011_Metz 0 0 0 1 100% 0 GKODJBVKKLQMEY-UHFFFAOYSA-N Oc1cc2c(nc1)ccc(c2)c1ccncc1 49831029 1 NB2011_Metz 0 0 0 1 100% 0 DWTNLZZEPSCAIH-UHFFFAOYSA-N O=C(Nc1c2c([nH]cc2)ncc1)C1CCC(CC1)C(N)C 9820195 1 NB2011_Metz 6.8 1 1 0 100% 1 SIHZREZFYCEMBL-UHFFFAOYSA-N Ic1ccc(n2c3c(c(c2C)C(=O)OCC)cc(O)c2c3cccc2)cc1 3335325 1 NB2011_Metz 0 0 0 1 100% 0 KDKUVYLMPJIGKA-UHFFFAOYSA-N S(=O)(=O)(N)c1ccc(Nc2nn(C(=O)c3c(F)cccc3F)c(n2)N)cc1 5330790 1 NB2011_Metz 0 0 0 1 100% 0 BGUQECPEELVHLW-UHFFFAOYSA-N Clc1ccc(C=CC2=Cc3c(sc4ncnc(N)c34)C(C2)(C)C)cc1 49831030 1 NB2011_Metz 0 0 0 1 100% 0 PNKALLUVKOKYHZ-UHFFFAOYSA-N Brc1c(C=C(c2nc3c([nH]2)ccc(c3)C)C#N)cc(OC)c(O)c1 2858816 1 NB2011_Metz 5.1 0 0 1 100% 0 YCBJUIHLMYFQSQ-UHFFFAOYSA-N FC(F)(F)c1cc2oc3c(c(=O)c2cc1)C(=O)CCC3 49831031 1 NB2011_Metz 5.1 0 0 1 100% 0 GZAQDFYUURXJSL-UHFFFAOYSA-N O=C(Nc1ccc(n2nc3nc(N)ccc3n2)cc1)C 49831032 1 NB2011_Metz 0 0 0 1 100% 0 HXHAJRMTJXHJJZ-UHFFFAOYSA-N Brc1cc(F)c(COc2nsc(NC(=O)NCCCCN3CCCC3)c2C(=O)N)c(F)c1 9811611 1 NB2011_Metz 5.2 0 0 1 100% 0 KCAJXIDMCNPGHZ-UHFFFAOYSA-N Brc1c(=O)n(c2c(ccc(c2)C(=O)NC)C)c(cc1OCc1c(F)cc(F)cc1)C 22049997 1 NB2011_Metz 0 0 0 1 100% 0 KKKRKRMVJRHDMG-UHFFFAOYSA-N Fc1c(Oc2c(=O)n(c3nc(ncc3c2)NC2CCOCC2)C)ccc(F)c1 11406590 1 NB2011_Metz 5.1 0 0 1 100% 0 KDZWQULRAJDBKP-UHFFFAOYSA-N Clc1cc2c(ncnc2NCC(=O)N2CC(N3CCC(CC3)c3ccccc3)(CC2)C)cc1Cl 24988873 1 NB2011_Metz 0 0 0 1 100% 0 ZZXUNAFAKNKXFW-UHFFFAOYSA-N n1(c([n+](cc1)CCCCCCCCCCCCCCCC)C)Cc1ccccc1 10436840 1 NB2011_Metz 0 0 0 1 100% 0 WLLUQXGGNFUQGM-UHFFFAOYSA-N o1nc(n2nnc(c2N2CCCC2)C(=O)NN=Cc2c(OCC)cccc2)c(n1)N 3662552 1 NB2011_Metz 5.1 0 0 1 100% 0 FZYXCINEILQJBV-UHFFFAOYSA-N n12nc(cc2nc(N)c(c1c1ccc(cc1)C)C#N)C 49831033 1 NB2011_Metz 0 0 0 1 100% 0 GKQJYCBMMCLAOZ-UHFFFAOYSA-N Clc1c2[nH]c3c(c2cc(Cl)c1)CN(CC3)C(=O)Nc1ccc([N+](=O)[O-])cc1 49831034 1 NB2011_Metz 0 0 0 1 100% 0 ZLHFILGSQDJULK-UHFFFAOYSA-N Clc1cc2c(c3nc(ncc3CN=C2c2c(OC)cccc2F)Nc2cc(OC)c(cc2)C(=O)O)cc1 24771867 1 NB2011_Metz 5.1 0 0 1 100% 0 GTIZMZIBMPMTQN-UHFFFAOYSA-N O(c1c(CCc2c3c(nc(nc3N)N)ccc2)cccc1)CCCC 49831035 1 NB2011_Metz 5.3 0 0 1 100% 0 GACYULOPBWQXQH-UHFFFAOYSA-N O=C1Nc2c(N3C1CCC3)ccc(c2)CN(C)C 45268640 1 NB2011_Metz 0 0 0 1 100% 0 NVINUNQBDNEMSY-UHFFFAOYSA-N O(c1cc2c3c4c(nc(N)c3cnc2cc1OC)c(c(N)cc4)C)C 17754396 1 NB2011_Metz 0 0 0 1 100% 0 RXVOXSGTUROJOL-UHFFFAOYSA-N Clc1nnc2[nH]c3c([nH]c(=O)c2c1)cccc3C(=O)N 15986273 1 NB2011_Metz 5.1 0 0 1 100% 0 DZLANNZPSHAHPU-UHFFFAOYSA-N Fc1c(N(c2nc(c3c(n2)n(cc3)C)c2c(F)cccc2)C(=O)N)c(F)ccc1 49831036 1 NB2011_Metz 0 0 0 1 100% 0 YTRZDTTZCDSVOR-UHFFFAOYSA-N Clc1cc2c(Sc3c(C(N4CCN(CC4)CCC(=O)N)C2)ccc(F)c3)cc1 128684 1 NB2011_Metz 0 0 0 1 100% 0 RGNHKJWHFIPHIM-UHFFFAOYSA-N Oc1c2n(c(=O)cc(n2)C)ccc1CN(C)C 2827827 1 NB2011_Metz 0 0 0 1 100% 0 AQGNHMOJWBZFQQ-UHFFFAOYSA-N Clc1c(c2nc(ncc2c2nc(c[nH]2)C)NCCNc2ncc(cc2)C#N)ccc(Cl)c1 9956119 1 NB2011_Metz 5.1 0 0 1 100% 0 GXFGHUNNGNQSMQ-UHFFFAOYSA-N Clc1cc2n(c3nc(nc(N)c3c(=O)c2cc1)N)c1c(cc(O)cc1)C 49831037 1 NB2011_Metz 6 1 1 0 100% 1 ODNWXHGQXNJQFP-UHFFFAOYSA-N N(CCC1c2c(C(=C)c3c(C1)cccc3)cccc2)(C)C 547246 1 NB2011_Metz 0 0 0 1 100% 0 AWRNELHPKGTWCJ-UHFFFAOYSA-N O(C(=O)n1c2c(c(c3n(C4CCCCC4)cnc3)c1)cccc2)C(C)(C)C 49831038 1 NB2011_Metz 5.1 0 0 1 100% 0 JYNKKTHUZTYHCU-UHFFFAOYSA-N O=c1n(c2c(c3[nH]nc(c13)C)cccc2)C 2785814 1 NB2011_Metz 0 0 0 1 100% 0 VNVRMVFZWARUCY-UHFFFAOYSA-N Clc1cc(Nc2nc(nc(N3CCOCC3)n2)n2nccc2)ccc1 1018277 1 NB2011_Metz 0 0 0 1 100% 0 RVONHYLJCYPGQH-UHFFFAOYSA-N Clc1cc(Nc2n3nccc3nc(NC3CCC(N)CC3)c2C)ccc1F 10430385 1 NB2011_Metz 0 0 0 1 100% 0 NRSGWEVTVGZDFC-UHFFFAOYSA-N Clc1nc(nc(Nc2cc(F)c(Oc3c4c([nH]cc4C)ncc3)c(F)c2)c1)N 11524200 1 NB2011_Metz 6.2 1 1 0 100% 1 ZPVLRSVLOWVDJC-UHFFFAOYSA-N O=C1C(=C(NC(C(C)(C)C)C)C1=O)N(c1ccncc1)C(=O)C 22413670 1 NB2011_Metz 5.1 0 0 1 100% 0 OULGHWYAFYSZGK-UHFFFAOYSA-N s1c2n(nc(c2c(N)c1C(=O)N)C)C 49831039 1 NB2011_Metz 0 0 0 1 100% 0 BGLCATULDGAIDO-UHFFFAOYSA-N Clc1n2c(nnc2N)cnc1 49831040 1 NB2011_Metz 0 0 0 1 100% 0 BZFGDXJGWSIYQP-UHFFFAOYSA-N Ic1nn(C2OC(C(O)C2O)CO)c2ncnc(N)c12 49831041 1 NB2011_Metz 5.1 0 0 1 100% 0 RRGXUIOPSNOJDU-UHFFFAOYSA-N n1nc(nc(c1c1ccccc1)C#N)C 15323455 1 NB2011_Metz 0 0 0 1 100% 0 XDSJEDLSHAYRNI-UHFFFAOYSA-N OC1(N(c2c(c3c1cc(N)cc3)ccc(N)c2)CC)c1ccccc1 49831042 1 NB2011_Metz 0 0 0 1 100% 0 MPUQHZXIXSTTDU-UHFFFAOYSA-N S(=O)(=O)(OCC1CC(n2c3ncnc(NC4c5c(CC4)cccc5)c3cc2)CC1O)N 49831043 1 NB2011_Metz 0 0 0 1 100% 0 LBVKEEFIPBQIMD-UHFFFAOYSA-N Clc1c(Nc2n[nH]c(OC(C)C)c2)nc(NC(c2ncc(F)cc2)C)nc1 49831044 1 NB2011_Metz 0 0 0 1 100% 0 HWODCHXORCTEGU-UHFFFAOYSA-N O=c1n(c2nc(N)c(cc2c(=O)n1CC)C(=O)N)C1CC1 14998470 1 NB2011_Metz 0 0 0 1 100% 0 JLRRNFYWQUCREK-UHFFFAOYSA-N O=C(Nc1n[nH]cn1)c1cc2c(n(c(c2C)C)Cc2ccccc2)cc1 794531 1 NB2011_Metz 5.1 0 0 1 100% 0 APPHSAIPZPYEGB-UHFFFAOYSA-N O=c1[nH]cnc2c1ccc(c2)C 135452533 1 NB2011_Metz 0 0 0 1 100% 0 WUTNLCUQZGDRGX-UHFFFAOYSA-N O=c1[nH]c2c(n3c1nc(c3C)C(=O)OCC)cc(NC(=O)C)c([N+](=O)[O-])c2 23295827 1 NB2011_Metz 0 0 0 1 100% 0 FSYMYDRMUOJVKB-UHFFFAOYSA-N o1nc(n2nnc(c2C(=O)NN=C(c2c(O)cc(O)cc2)C)COC)c(n1)N 136027090 1 NB2011_Metz 6.8 1 1 0 100% 1 PDMUGYOXRHVNMO-UHFFFAOYSA-N OCCn1ncc(c2nc3n(nnc3nc2)Cc2cc3c(nccc3)cc2)c1 17754438 1 NB2011_Metz 0 0 0 1 100% 0 PNAPQQCRNHMIER-UHFFFAOYSA-N s1ncc2c1cc(N(C)C)c(NC(=O)C(=O)O)c2 13084523 1 NB2011_Metz 5.3 0 0 1 100% 0 ZGDYBJXDIXVTLV-UHFFFAOYSA-N o1c(c2nc3n(c2)cc(cc3)C(=O)N)ccc1[N+](=O)[O-] 49831046 1 NB2011_Metz 0 0 0 1 100% 0 PHWHNHYZZNJPLB-UHFFFAOYSA-N o1nc(c2n(c3c(n2)cncc3C(=O)N2CC(N)CC2)CC)c(n1)N 49831047 1 NB2011_Metz 0 0 0 1 100% 0 WINHZLLDWRZWRT-UHFFFAOYSA-N Fc1cc2C(=Cc3[nH]c(c(c3C)C(=O)NCCN(CC)CC)C)C(=O)Nc2cc1 3086686 1 NB2011_Metz 5.3 0 0 1 100% 0 GIMMCSLNUXYLSO-UHFFFAOYSA-N n12nc(ccc1ncc2)C=Cc1ccccc1 49831048 1 NB2011_Metz 0 0 0 1 100% 0 VNTJISNJEMAGBX-UHFFFAOYSA-N O1C2(C(N)C(=O)c3c1c(c(c(c3)C)C)C#N)CCCCC2 49831049 1 NB2011_Metz 0 0 0 1 100% 0 MVIVBJWGKGBVNA-UHFFFAOYSA-N S(=O)(=O)(c1ccc(c2ccc(C(F)(F)F)cc2)cc1)CC(N(O)C=O)c1ccc(O)cc1 21700057 1 NB2011_Metz 0 0 0 1 100% 0 YOVNFNXUCOWYSG-UHFFFAOYSA-N O(c1ncc2nc(n(c2c1)CC)c1nonc1N)c1cc(NC(=O)c2ccc(OCCN3CCOCC3)cc2)ccc1 16095342 1 NB2011_Metz 8.3 1 1 0 100% 1 AWDORCFLUJZUQS-UHFFFAOYSA-N S(=O)(=O)(N1C(CNCCC1)C)c1c2c(ccc1)cncc2C 9885023 1 NB2011_Metz 6.5 1 1 0 100% 1 ILYYHBWLPJIMLM-UHFFFAOYSA-N s1c2n(c3c1cccc3)c(nn2)N 21392813 1 NB2011_Metz 0 0 0 1 100% 0 UGFZSOOMZPRIIC-UHFFFAOYSA-N s1c(NC(=O)C2C(C2(C)C)(C)C)c(c2c1cncc2)C(=O)OCC 49831050 1 NB2011_Metz 0 0 0 1 100% 0 PIMQWRZWLQKKBJ-UHFFFAOYSA-N [O-][n+]1cc(CNc2n3ncc(c3nc(N3C(CCCC3)CCO)c2)CC)ccc1 16048554 1 NB2011_Metz 0 0 0 1 100% 0 YXUQWISLOFXNGN-UHFFFAOYSA-N Brc1nc2c([nH]c(c3c4c(n(c3)C)ccc(c4)C#N)c2)nc1 49831051 1 NB2011_Metz 0 0 0 1 100% 0 HHEBHJLYNLALHM-UHFFFAOYSA-N Clc1c(Cl)cc2[nH]nnc2c1 417428 1 NB2011_Metz 5.1 0 0 1 100% 0 QMMMGQKKOKYDMN-UHFFFAOYSA-N O(c1c(NC(=N)N)cc(NC(=N)N)cc1)CCCCCCCCCCCC 3038489 1 NB2011_Metz 6.2 1 1 0 100% 1 MZDKLVOWGIOKTN-UHFFFAOYSA-N S(=O)(=O)(N(c1ncccc1CNc1nc(ncc1C(F)(F)F)Nc1cc2c(NC(=O)C2)cc1)C)C 11713159 1 NB2011_Metz 5.8 0 0 1 100% 0 IWPWKQLFCMXCMD-UHFFFAOYSA-N Brc1cc2c(cnc(Nc3ncncc3)c2)cc1 49831052 1 NB2011_Metz 0 0 0 1 100% 0 MLKHXLFEYOOYEY-NVNXTCNLSA-N S(=O)(=O)(N)c1cc2/C(=C/c3c4c(n(c3)C)cccc4)/C(=O)Nc2cc1 6419747 1 BC2013_Millipore 101 0 0 1 100% 0 PMUJUSJUVIXDQC-LCYFTJDESA-N O(C(=O)c1c(c([nH]c1C)/C=C\1/c2c(NC1=O)cccc2)C)CC 6419834 1 BC2013_Millipore 96 0 0 1 100% 0 KFLWBZPSJQPRDD-ONEGZZNKSA-N O1c2c(OC1)ccc(c2)/C=C/[N+](=O)[O-] 672296 1 BC2013_Millipore 99 0 0 1 100% 0 HOGVTUZUJGHKPL-UHFFFAOYSA-N O1[C@H](n2c3ncnc4n(nc(N)c(c2)c34)C)[C@@H](O)[C@H](O)[C@@H]1CO 290486 1 BC2013_Millipore 104 0 0 1 100% 0 QFJCIRLUMZQUOT-MTKXUJSSSA-N CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC 16760631 1 BC2013_Millipore 98 0 0 1 100% 0 RFHPWPWVGFSLOP-ZROIWOOFSA-N Brc1cc2/C(=C/c3[nH]c4c(CCCC4)c3)/C(=O)Nc2cc1 5329155 1 BC2013_Millipore 100 0 0 1 100% 0 ZUDPNBZMAJGYTE-HYMQDMCPSA-N CS(=O)(=O)O.C1=CC(=CN=C1)C2=CC3=C(C=C2)NC(=O)C3=CC4=CC=CN4 16760524 1 BC2013_Millipore 54 0 0 1 100% 0 WUWDLXZGHZSWQZ-WQLSENKSSA-N O=C1Nc2c(/C/1=C/c1[nH]c(cc1C)C)cccc2 5329098 1 BC2013_Millipore 95 0 0 1 100% 0 DPANHMGWPXVBQI-UHFFFAOYSA-N O=C1c2c(c3nc4n(nc13)nnn4)cccc2 5113385 1 BC2013_Millipore 91 0 0 1 100% 0 VFBGXTUGODTSPK-BAQGIRSFSA-N s1c2c3c(NC(=O)/C/3=C\c3[nH]cnc3)ccc2nc1 6490494 1 BC2013_Millipore 15 1 1 0 100% 1 NFDQHCCABRRTFB-XJCLVHIMSA-N CC1CN(CCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)C)C(=O)CN.O.Cl.Cl 16760635 1 BC2013_Millipore 7 1 1 0 100% 1 TUCIOBMMDDOEMM-RIYZIHGNSA-N Oc1cc(/C=C(/C(=O)NCc2ccccc2)\C#N)ccc1O 5328779 1 BC2013_Millipore 97 0 0 1 100% 0 IMYVCWQAHSYYOO-UHFFFAOYSA-N O(c1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OC)C 6610278 1 BC2013_Millipore 107 0 0 1 100% 0 ZJFMARHFPUZEKI-KMKOMSMNSA-N Clc1cc2/C(=C/c3cc(Cl)c(O)c(Cl)c3)/C(=O)Nc2cc1 16760619 1 BC2013_Millipore 100 0 0 1 100% 0 BMGQWWVMWDBQGC-UHFFFAOYSA-N O1[C@@]2(n3c4c5n([C@H]1C[C@@H](N(C)C(=O)c1ccccc1)[C@@H]2OC)c1c(c5c2c(c4c4c3cccc4)CNC2=O)cccc1)C 16760627 1 BC2013_Millipore 21 1 1 0 100% 1 DXVJRTIPBNBLLB-BJMVGYQFSA-N Oc1ccc(cc1)/C=C(/C(=C(C#N)C#N)N)\C#N 5328804 1 BC2013_Millipore 102 0 0 1 100% 0 UAKWLVYMKBWHMX-RVDMUPIBSA-N O=C1Nc2c(/C/1=C\c1ccc(N(C)C)cc1)cccc2 5353593 1 BC2013_Millipore 88 0 0 1 100% 0 MCAHMSDENAOJFZ-NDSMKMDISA-N O([C@H]1C[C@@H]([C@@H](OC)C2=CC(=O)C=C(NC(=O)/C(=C/C=C\[C@@H](OC)[C@@H](OC(=O)N)/C(=C/[C@@H]([C@@H]1OC)C)/C)/C)C2=O)C)C 16760502 1 BC2013_Millipore 107 0 0 1 100% 0 SQWZFLMPDUSYGV-POHAHGRESA-N S1/C(=C\c2cc3nccnc3cc2)/C(=O)NC1=O 5289247 1 BC2013_Millipore 99 0 0 1 100% 0 FPYJSJDOHRDAMT-KQWNVCNZSA-N Clc1cc(N(S(=O)(=O)c2cc3/C(=C/c4[nH]c(c(C(=O)N5CCN(CC5)C)c4C)C)/C(=O)Nc3cc2)C)ccc1 9549297 1 BC2013_Millipore 97 0 0 1 100% 0 SRLVNYDXMUGOFI-YWEYNIOJSA-N S1/C(=C\c2cc3OC(F)(F)Oc3cc2)/C(=O)NC1=O 5287855 1 BC2013_Millipore 107 0 0 1 100% 0 XPLJEFSRINKZLC-ATVHPVEESA-N Clc1cc2/C(=C/c3[nH]c(c(c3C)C(=O)NCCN(CC)CC)C)/C(=O)Nc2cc1 5329103 1 BC2013_Millipore 95 0 0 1 100% 0 BLLBARDQJSOSJD-UHFFFAOYSA-N CN(C(CC1=CC=C(C=C1)OOSOC2=CC=CC3=C2C=CN=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)S(=O)(=O)C6=CC=CC7=C6C=CN=C7 16760529 1 BC2013_Millipore 92 0 0 1 100% 0 BLQHLDXMMWHXIT-UYRCGDKNSA-N CC(C1CCC(CC1)C(=O)NC2=CC=NC=C2)N.O.Cl.Cl 9797929 1 BC2013_Millipore 95 0 0 1 100% 0 LOGJQOUIVKBFGH-YBEGLDIGSA-N S(=O)(=O)(N(C)C)c1cc2/C(=C/c3[nH]c4c(CCCC4)c3)/C(=O)Nc2cc1 5312137 1 BC2013_Millipore 107 0 0 1 100% 0 VXPWQNBKEIVYIS-UHFFFAOYSA-N S(c1[nH]c(c(n1)c1cc(N[C@@H](c2ccccc2)C)ncc1)c1ccc(F)cc1)C 6419739 1 BC2013_Millipore 114 0 0 1 100% 0 HBDSHCUSXQATPO-BGBJRWHRSA-N O=C1N=c2c(=C1c1[nH]c3c(c1NO)cccc3)cccc2 - 1 BC2013_Millipore 85 0 0 1 100% 0 HLCDNLNLQNYZTK-UHFFFAOYSA-N ClC(Cl)(Cl)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)NC(=S)Nc1cc([N+](=O)[O-])c(F)cc1 6605258 1 BC2013_Millipore 100 0 0 1 100% 0 DOEWDSDBFRHVAP-KRXBUXKQSA-N S(=O)(=O)(c1ccc(cc1)C)/C=C/C#N 5353431 1 BC2013_Millipore 101 0 0 1 100% 0 QMBDONCHHMIWFJ-UHFFFAOYSA-N O=c1[nH][nH]c2nnc(c3c4n(nc3c3ccccc3)cccc4)cc12 16760417 1 BC2013_Millipore 99 0 0 1 100% 0 OTPNDVKVEAIXTI-UHFFFAOYSA-N C1CC2N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N(C1O2)C7=C53)C(=O)NC6=O 3387354 1 BC2013_Millipore 103 0 0 1 100% 0 BGVLELSCIHASRV-QPEQYQDCSA-N s1c2c(n(CC)/c/1=C/C(=O)C)cc(OC)cc2 1893668 1 BC2013_Millipore 102 0 0 1 100% 0 QJKBRWSJWQVKLY-UKTHLTGXSA-N Clc1[nH]c2c(c1/C=C/1\c3c(NC1=O)cccc3)cccc2 5472558 1 BC2013_Millipore 91 0 0 1 100% 0 LLLQTDSSHZREGW-AATRIKPKSA-N Clc1ccc(/C=C/CN(Cc2c(N(S(=O)(=O)c3ccc(OC)cc3)CCO)cccc2)C)cc1 5312122 1 BC2013_Millipore 108 0 0 1 100% 0 UTBSBSOBZHXMHI-LSDHHAIUSA-N Clc1cc(Nc2nc(N[C@H]3[C@@H](N)CCCC3)nc3n(CC)cnc23)ccc1 2794188 1 BC2013_Millipore 86 0 0 1 100% 0 NHBMKTBZZSJUGA-HEHNFIMWSA-N S(/C(=C(/c1cc([C@H](O)c2ccncc2)ccc1)\C#N)/N)c1c(N)cccc1 9951490 1 BC2013_Millipore 106 0 0 1 100% 0 PMXCMJLOPOFPBT-UHFFFAOYSA-N Clc1cc(Nc2nc(N[C@@H](C(C)C)CO)nc3n(C(C)C)cnc23)ccc1 4987 1 BC2013_Millipore 107 0 0 1 100% 0 ZDRVLAOYDGQLFI-UHFFFAOYSA-N C1=CC(=CC=C1C2=CSC(=N2)NC3=CC=C(C=C3)O)Cl.Cl 16760659 1 BC2013_Millipore 105 0 0 1 100% 0