BPNUQXPIQBZCMR-LJQANCHMSA-N Cc1c2cc(ccc2n[nH]1)c1cc(cnc1)OC[C@@H](Cc1ccccc1)N 23647015 1 NB2011_DRx 10001 0 0 1 100% 0 WJEOLQLKVOPQFV-UHFFFAOYSA-N Cc1c(cc(cc1)NC(=O)c1ccc(cc1)CN1CCN(CC1)C)Nc1nc(cs1)c1cnccc1 10074640 2 NB2011_DRx;NB2011_RBC 10001;98.18419518 0;0 0 2 100% 0 MPVGZUGXCQEXTM-UHFFFAOYSA-N Fc1c(NC(=O)Nc2ccc(c3c4c([nH]nc4N)ccc3)cc2)cc(cc1)C 11485656 1 NB2011_DRx 330 1 1 0 100% 1 CVWXJKQAOSCOAB-UHFFFAOYSA-N CC(C)(C)c1cc(no1)NC(=O)Nc1ccc(cc1)c1cn2c3c(cc(cc3)OCCN3CCOCC3)sc2n1 24889392 1 NB2011_DRx 9100 0 0 1 100% 0 RITAVMQDGBJQJZ-UHFFFAOYSA-N CNC(=O)c1ccccc1Sc1cc2c(cc1)c(n[nH]2)C=Cc1ccccn1 3086685 1 NB2011_DRx 10001 0 0 1 100% 0 RAHBGWKEPAQNFF-UHFFFAOYSA-N O=C(Nc1cc2NCC(c2cc1)(C)C)c1c(NCc2ccncc2)nccc1 11667893 1 NB2011_DRx 490 1 1 0 100% 1 ODPGGGTTYSGTGO-UHFFFAOYSA-N FC(F)(F)c1c(CN2CCN(CC2)CC)ccc(NC(=O)Nc2ccc(Oc3ncnc(NC)c3)cc2)c1 11409972 1 NB2011_DRx 380 1 1 0 100% 1 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 1 NB2011_DRx 10001 0 0 1 100% 0 XXJWYDDUDKYVKI-UHFFFAOYSA-N Cc1cc2c([nH]1)ccc(c2F)Oc1ncnc2cc(c(cc12)OC)OCCCN1CCCC1 9933475 1 NB2011_DRx 36 1 1 0 100% 1 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 940 1 1 0 100% 1 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 340 1 1 0 100% 1 MVCOAUNKQVWQHZ-UHFFFAOYSA-N C(=O)(Nc1c2c(c(cc1)OCCN1CCOCC1)cccc2)Nc1cc(nn1c1ccc(cc1)C)C(C)(C)C 156422 1 NB2011_DRx 2000 1 1 0 100% 1 PSPFQEBFYXJZEV-UHFFFAOYSA-N Cc1cc2c(cc1)nc(c1ncc(n21)C)NCCN 9813758 1 NB2011_DRx 10001 0 0 1 100% 0 OUSFTKFNBAZUKL-UHFFFAOYSA-N s1c(NC(=O)C2CCNCC2)ncc1SCc1oc(C(C)(C)C)cn1 3025986 1 NB2011_DRx 10001 0 0 1 100% 0 WCWUXEGQKLTGDX-NSHDSACASA-N Cc1cc2c([nH]1)ccc(c2F)Oc1ncnn2c1c(c(c2)OC[C@H](C)O)C 11703421 1 NB2011_DRx 190 1 1 0 100% 1 UIARLYUEJFELEN-FMLDBKJISA-N C[C@]12[C@@](C[C@H](O1)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c13)CNC4=O)(CO)O 14096317 1 NB2011_DRx 1200 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 1500 1 1 0 100% 1 OMZCMEYTWSXEPZ-UHFFFAOYSA-N Clc1cc(Nc2ncnc3c2cc(NC(=O)C=C)c(OCCCN2CCOCC2)c3)ccc1F 156414 1 NB2011_DRx 270 1 1 0 100% 1 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 10001 0 0 1 100% 0 KTEIFNKAUNYNJU-GFCCVEGCSA-N C[C@H](c1c(ccc(c1Cl)F)Cl)Oc1c(ncc(c1)c1cn(nc1)C1CCNCC1)N 11626560 Crizotinib 1 NB2011_DRx 65 1 1 0 100% 1 ZBNZXTGUTAYRHI-UHFFFAOYSA-N c1c(C(=O)Nc2c(cccc2Cl)C)sc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)n1 3062316 Dasatinib 2 NB2011_DRx;NB2011_RBC 2100;50.45138627 1;0 1 1 50% 2 AAKJLRGGTJKAMG-UHFFFAOYSA-N C#Cc1cc(Nc2c3cc(OCCOC)c(OCCOC)cc3ncn2)ccc1 176870 Erlotinib 2 NB2011_DRx;NB2011_RBC 440;40.44361274 1;1 2 0 100% 1 CXQHYVUVSFXTMY-UHFFFAOYSA-N COc1cc2c(ccnc2cc1OCCCN1CCOCC1)Oc1c(cc(cc1)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F)F 42642645 1 NB2011_DRx 1.1 1 1 0 100% 1 BIIVYFLTOXDAOV-YVEFUNNKSA-N CN1CC[C@@H]([C@@H](C1)O)c1c2oc(cc(=O)c2c(O)cc1O)c1c(Cl)cccc1 5287969 1 NB2011_DRx 10001 0 0 1 100% 0 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 1 NB2011_DRx 10001 0 0 1 100% 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 590;28.938218 1;1 2 0 100% 1 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 10001 0 0 1 100% 0 KGPGFQWBCSZGEL-ZDUSSCGKSA-N CCn1c2c(c(ncc2OC[C@H]2CCCNC2)C#CC(C)(C)O)nc1c1nonc1N 16725726 1 NB2011_DRx 10001 0 0 1 100% 0 MYQAUKPBNJWPIE-UHFFFAOYSA-N O(c1c(OC)cc(Cc2c(nc(nc2)N)N)cc1)Cc1ccc(OC)cc1 11617559 1 NB2011_DRx 10001 0 0 1 100% 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 2 NB2011_DRx;NB2011_RBC 10001;100.014393 0;0 0 2 100% 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 4400 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 1500 1 1 0 100% 1 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;115.4084635 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 10001 0 0 1 100% 0 ZCBUQCWBWNUWSU-SFHVURJKSA-N C1Cn2cc(c3c2cccc3)C2=C(C(=O)NC2=O)c2cn(c3c2cccc3)CCO[C@@H]1CN(C)C 153999 1 NB2011_DRx 10001 0 0 1 100% 0 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 2 NB2011_DRx;NB2011_RBC 10001;102.8376343 0;0 0 2 100% 0 HHFBDROWDBDFBR-UHFFFAOYSA-N Clc1cc2c(c3nc(ncc3CN=C2c2c(F)cccc2F)Nc2ccc(cc2)C(=O)O)cc1 11712649 1 NB2011_DRx 580 1 1 0 100% 1 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 640;46.94986295 1;1 2 0 100% 1 CUIHSIWYWATEQL-UHFFFAOYSA-N S(=O)(=O)(N)c1c(ccc(Nc2nc(N(c3cc4nn(c(c4cc3)C)C)C)ccn2)c1)C 10113978 Pazopanib 2 NB2011_DRx;NB2011_RBC 10001;79.98148533 0;0 0 2 100% 0 VAARYSWULJUGST-UHFFFAOYSA-N Cn1c2nc(ncc2cc(c1=O)c1c(cccc1Cl)Cl)Nc1cc(ccc1)SC 447077 1 NB2011_DRx 70 1 1 0 100% 1 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 2 NB2011_DRx;NB2011_RBC 10001;78.985 0;0 0 2 100% 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 10001;79.515 0;0 0 2 100% 0 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 210 1 1 0 100% 1 YCOYDOIWSSHVCK-UHFFFAOYSA-N Clc1ccc(Nc2nnc(c3c2cccc3)Cc2ccncc2)cc1 151194 2 NB2011_DRx;NB2011_RBC 10001;100.986746 0;0 0 2 100% 0 NHHQJBCNYHBUSI-UHFFFAOYSA-N CC1(C(=O)Nc2c(O1)ccc(n2)Nc1nc(ncc1F)Nc1cc(c(c(c1)OC)OC)OC)C 11213558 Tamatinib 1 NB2011_DRx 120 1 1 0 100% 1 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 1200 1 1 0 100% 1 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 1100 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 2 NB2011_DRx;NB2011_RBC 370;41.99335619 1;1 2 0 100% 1 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 290 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 2000 1 1 0 100% 1 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 960;29.54578549 1;1 2 0 100% 1 QQWUGDVOUVUTOY-UHFFFAOYSA-N CC(C)S(=O)(=O)c1ccccc1Nc1nc(ncc1Cl)Nc1c(cc(cc1)N1CCC(CC1)N1CCN(CC1)C)OC 16038120 1 NB2011_DRx 120 1 1 0 100% 1 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 3900 0 0 1 100% 0 UHTHHESEBZOYNR-UHFFFAOYSA-N C1CN(C)CCC1COc1cc2c(cc1OC)/c(=N/c1ccc(Br)cc1F)/nc[nH]2 3081361 Vandetanib 2 NB2011_DRx;NB2011_RBC 50;3.269215012 1;1 2 0 100% 1 GCIKSSRWRFVXBI-UHFFFAOYSA-N N1(CCN(CC1)c1cc(nc(n1)Sc1ccc(cc1)NC(=O)C1CC1)Nc1cc(n[nH]1)C)C 5494449 2 NB2011_DRx;NB2011_RBC 4700;48.38065237 0;1 1 1 50% 2 VEPKQEUBKLEPRA-UHFFFAOYSA-N Clc1c(c2c3n(nc(Sc4c(F)cc(F)cc4)cc3)cnc2=O)c(Cl)ccc1 3038525 1 NB2011_DRx 10001 0 0 1 100% 0 NJTUORMLOPXPBY-UHFFFAOYSA-N CC(C)N(CCC(=O)c1cc2ccccc2cc1)Cc1ccccc1.Cl 176406 1 NB2011_RBC 93.255 0 0 1 100% 0 ODZGYELAMAOARP-UHFFFAOYSA-N c1c2c(ccc1)c(=O)c1c3c2nn(c3ccc1)C 11665831 1 NB2011_RBC 87.605 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 77.05 0 0 1 100% 0 AVLYNJZZQYEFEA-UHFFFAOYSA-N c1ccc2c(c1)[nH]c(=C(C#N)c1nc(ncc1)NCCc1cnccc1)s2 71433861 1 NB2011_RBC 87.09 0 0 1 100% 0 KQMPRSZTUSSXND-UHFFFAOYSA-N CCOc1c(c(cc(n1)NC(=O)Cc1c(ccc(c1)OC)OC)N)C#N 11624601 1 NB2011_RBC 89.485 0 0 1 100% 0 ZXVUBPLDUMSDOE-UHFFFAOYSA-N C1CCc2c(C1)c(c(s2)NC(=O)c1cccc2ccccc12)C#N.O 16760525 1 NB2011_RBC 93.36 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 1 NB2011_RBC 59.51 0 0 1 100% 0 QQUXFYAWXPMDOE-UHFFFAOYSA-N C1c2c(c3ccccc3NC1=O)[nH]c1c2cc(cc1)Br 3820 1 NB2011_RBC 93.655 0 0 1 100% 0 BLLBARDQJSOSJD-PGUFJCEWSA-N CN([C@H](Cc1ccc(cc1)OOSOc1cccc2c1ccnc2)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2c1ccnc2 - 1 NB2011_RBC 94.87 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 95.33 0 0 1 100% 0 FMETVQKSDIOGPX-UHFFFAOYSA-N C1CCC(C1)n1cc(c2c1ncnc2N)c1ccc(cc1)Oc1ccccc1 6603792 1 NB2011_RBC 63.56 0 0 1 100% 0 CZQHHVNHHHRRDU-UHFFFAOYSA-N C1COCCN1c1cc(=O)c2c(o1)c(ccc2)c1ccccc1 3973 1 NB2011_RBC 86.97 0 0 1 100% 0 NGAGMBNBKCDCDJ-UHFFFAOYSA-N C1CN(CCN1)c1cc(=O)c2c(o1)c(ccc2)c1ccccc1 3971 1 NB2011_RBC 88.165 0 0 1 100% 0 NHBMKTBZZSJUGA-HKRCYGBASA-N c1(c(cccc1)S/C(=C(/c1cccc(c1)[C@H](c1ccncc1)O)\C#N)/N)N - 1 NB2011_RBC 102.625 0 0 1 100% 0 GYQSWJNGTWVFOL-UHFFFAOYSA-N C1CC(=O)N(C1=O)C1=C(C(=O)c2ccccc2C1=O)Cl 389898 1 NB2011_RBC 89.455 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 92.34 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 23.995 1 1 0 100% 1 UQPMANVRZYYQMD-UHFFFAOYSA-N c1cc(ccc1Nc1c2c(ncnc2n[nH]1)N)F 11644425 1 NB2011_RBC 49.315 1 1 0 100% 1 ODYAQBDIXCVKAE-UHFFFAOYSA-N c1ccc(c(c1)c1ccc(cc1)CCCC(=O)Nc1ccc(cc1)O)F 11382492 1 NB2011_RBC 89.57 0 0 1 100% 0 IBAKVEUZKHOWNG-UHFFFAOYSA-N c1ccc(cc1)Oc1ccc(cc1)CCNc1ncnc2c1cc(cc2)N 509554 1 NB2011_RBC 92.76 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 75.775 0 0 1 100% 0 DZFBYHUKZSRPHU-UHFFFAOYSA-N c1cc(ccc1c1c([nH]n(c1=O)c1ccc(cc1)Cl)c1ccncc1)F 4665 1 NB2011_RBC 57.005 0 0 1 100% 0 QFWCYNPOPKQOKV-UHFFFAOYSA-N COc1cccc(c1N)c1cc(=O)c2ccccc2o1 4713 1 NB2011_RBC 81.25 0 0 1 100% 0 BGIYKDUASORTBB-UHFFFAOYSA-N c1cc(ccc1c1nc(c([nH]1)c1ccncc1)c1ccc(cc1)F)[N+](=O)[O-] 4712 1 NB2011_RBC 64.7 0 0 1 100% 0 KFHMLBXBRCITHF-UHFFFAOYSA-N CNc1ncc2c(c1)c(ncn2)Nc1cc(ccc1)Br 4707 1 NB2011_RBC 70.02 0 0 1 100% 0 WUPUZEMRHDROEO-UHFFFAOYSA-N CCC(=O)Nc1cc2c(cc1)ncnc2Nc1cc(ccc1)Br 4709 1 NB2011_RBC 79.54 0 0 1 100% 0 CZDUJGOCEPWCNA-UHFFFAOYSA-N CCCC(=O)Oc1cc2c(cc1)[nH]c(c2)C(=O)c1cc2ccccc2[nH]1 5330548 1 NB2011_RBC 88.015 0 0 1 100% 0 INTPTKHSGKBHHW-UHFFFAOYSA-N COc1c(cc2c(c1)c(ncn2)N1CCN(CC1)C(=O)Nc1ccc(cc1)Oc1ccccc1)OC 10907042 1 NB2011_RBC 89.615 0 0 1 100% 0 ZDNURMVOKAERHZ-UHFFFAOYSA-N COc1c(cc2c(c1)Cc1c2[nH]nc1Nc1cc(ccc1)F)OC 9797370 1 NB2011_RBC 82.74 0 0 1 100% 0 PEPCXHNLEXQQSE-UHFFFAOYSA-N Cc1ccccc1C(=O)NC(=S)Nc1ccc(cc1)Oc1c2cc(c(cc2ncc1)OC)OC.O.O.O 16760609 1 NB2011_RBC 32.985 1 1 0 100% 1 DGCXNBUJPWPMJJ-UHFFFAOYSA-N n12c(nnn1)nc1c(n2)[C@H](c2c1cccc2)O - 1 NB2011_RBC 105.715 0 0 1 100% 0 VFBGXTUGODTSPK-UHFFFAOYSA-N c1cc2c(c3c1NC(=O)C3=Cc1cnc[nH]1)scn2 57351456 1 NB2011_RBC 48.645 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 72.81 0 0 1 100% 0 SQWZFLMPDUSYGV-UHFFFAOYSA-N c1cc2nccnc2cc1C=C1C(=O)NC(=O)S1 24906273 1 NB2011_RBC 82.385 0 0 1 100% 0 SRLVNYDXMUGOFI-UHFFFAOYSA-N c1cc2c(cc1C=C1C(=O)NC(=O)S1)OC(O2)(F)F 53394675 1 NB2011_RBC 83.125 0 0 1 100% 0 KKDPIZPUTYIBFX-UHFFFAOYSA-N c1ccc(cc1)n1c2c(cn1)c(ncn2)N 4879 1 NB2011_RBC 83.17 0 0 1 100% 0 GDQXJQSQYMMKRA-UHFFFAOYSA-N CC(C)(C)n1c2c(c(n1)Cc1cccc3ccccc13)c(ncn2)N 5154691 1 NB2011_RBC 9.38 1 1 0 100% 1 RONQPWQYDRPRGG-UHFFFAOYSA-N c1cc(ccc1Nc1c(cc2c(c1)C(=O)NC2=O)Nc1ccc(cc1)F)F 6711154 1 NB2011_RBC 66.78 0 0 1 100% 0 KIWODJBCHRADND-UHFFFAOYSA-N c1ccc(cc1)NC1=C(C(=O)NC1=O)c1cn(c2ccccc12)CCCn1ccnc1 6419755 1 NB2011_RBC 105.9957698 0 0 1 100% 0 PMXCMJLOPOFPBT-OAHLLOKOSA-N CC(C)[C@@H](CO)Nc1nc2c(c(n1)Nc1cc(ccc1)Cl)ncn2C(C)C 12084804 1 NB2011_RBC 93.80188194 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 99.00660565 0 0 1 100% 0 LLJRXVHJOJRCSM-UHFFFAOYSA-N c1ccc2c(c1)c(c[nH]2)c1ccncc1 644354 1 NB2011_RBC 103.9393322 0 0 1 100% 0 CMKMGFAUKPAOMG-AWEZNQCLSA-N NCC(=O)N1CCCN([C@H](C1)C)S(=O)(=O)c1cccc2c1c(cnc2)C 11976582 1 NB2011_RBC 92.21740258 0 0 1 100% 0 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 99.97797095 0 0 1 100% 0 XFXDYDZBKXMGBX-HOTGVXAUSA-N c1cc(ccn1)[C@H]1[C@@H](N=C(N1)c1ccc(cc1)OC)CC - 1 NB2011_RBC 103.7973375 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 57.34484072 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 57.15124747 0 0 1 100% 0 VSPFURGQAYMVAN-UHFFFAOYSA-N C1CNCCC1n1cnc(c1c1nc(ncc1)N)c1ccc(cc1)F 5164 1 NB2011_RBC 78.03109831 0 0 1 100% 0 OTPNDVKVEAIXTI-IYBDPMFKSA-N C1C[C@@H]2n3c4ccccc4c4c5c(c6c7ccccc7n([C@H]1O2)c6c34)c(=O)[nH]c5=O 447446 1 NB2011_RBC 63.92964313 0 0 1 100% 0 BHWCZLOXTLWZAQ-UHFFFAOYSA-N Cc1nc(c(o1)c1ccncc1)c1ccccc1 5174 1 NB2011_RBC 95.85053601 0 0 1 100% 0 YOELZIQOLWZLQC-UHFFFAOYSA-N C1CSc2nc(c(n12)c1ccncc1)c1ccc(cc1)F 5228 1 NB2011_RBC 94.71701875 0 0 1 100% 0 ZFGXZJKLOFCECI-UHFFFAOYSA-N c1c(ccc(c1)Cl)c1nc(sc1)Nc1ccc(cc1)O 753704 1 NB2011_RBC 100.7805682 0 0 1 100% 0 DMWVGXGXHPOEPT-UHFFFAOYSA-N COc1c(cc2c(c1)c(ncn2)Nc1ccc(cc1)Oc1ccccc1)OC 1474853 1 NB2011_RBC 64.83396319 0 0 1 100% 0 HKSZLNNOFSGOKW-HMWZOHBLSA-N C[C@]12[C@H]([C@H](C[C@H](O1)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c13)CNC4=O)NC)OC 451705 1 NB2011_RBC 5.565379794 1 1 0 100% 1 WNRSTFUVBWNELX-UHFFFAOYSA-N CC(=O)O.c1ccc2c(c1)nc1n2c(=O)c2cccc3c(ccc1c23)C(=O)O 16760660 1 NB2011_RBC 104.8587481 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 61.91447992 0 0 1 100% 0 QNUKRWAIZMBVCU-UHFFFAOYSA-N COc1cc2c(cc1)NC(=O)C2=Cc1cnc[nH]1 24906268 1 NB2011_RBC 91.30000345 0 0 1 100% 0 XPLJEFSRINKZLC-UHFFFAOYSA-N CCN(CC)CCNC(=O)c1c([nH]c(c1C)C=C1c2c(ccc(c2)Cl)NC1=O)C 24906267 1 NB2011_RBC 45.7012988 1 1 0 100% 1 MLKHXLFEYOOYEY-UHFFFAOYSA-N Cn1cc(c2ccccc12)C=C1c2c(ccc(c2)S(=O)(=O)N)NC1=O 24906266 1 NB2011_RBC 30.21794497 1 1 0 100% 1 LCACSMNPIITJGG-UHFFFAOYSA-N c1cc(cc(c1)Nc1nc(ncc1C(=O)N)NCCN)C(F)(F)F.O.O.Cl.Cl 16760670 1 NB2011_RBC 96.94377457 0 0 1 100% 0 KFLWBZPSJQPRDD-UHFFFAOYSA-N C1Oc2c(O1)cc(cc2)C=C[N+](=O)[O-] 94945 1 NB2011_RBC 99.06247468 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 76.23460558 0 0 1 100% 0 IBCXZJCWDGCXQT-UHFFFAOYSA-N c1ccc2c(c1)c(ccn2)c1c([nH]nc1)c1ccccn1 447966 1 NB2011_RBC 98.77948657 0 0 1 100% 0 BTUOOXPZOVNPMF-UHFFFAOYSA-N Cc1cccc(n1)c1c(nc([nH]1)C(C)(C)C)c1cc2c(cc1)OCO2.Cl 16079009 1 NB2011_RBC 92.65664058 0 0 1 100% 0 UOHFCPXBKJPCAD-UHFFFAOYSA-N COc1ccc(cc1)C=C(C#N)C#N 2063 1 NB2011_RBC 99.82958087 0 0 1 100% 0 TUCIOBMMDDOEMM-UHFFFAOYSA-N c1ccc(cc1)CNC(=O)C(=Cc1cc(c(cc1)O)O)C#N 2390 1 NB2011_RBC 95.68303992 0 0 1 100% 0 DXVJRTIPBNBLLB-UHFFFAOYSA-N c1cc(ccc1C=C(C#N)C(=C(C#N)C#N)N)O 2045 1 NB2011_RBC 98.6471434 0 0 1 100% 0 FQNCLVJEQCJWSU-UHFFFAOYSA-N Cc1cc2ncc(nc2cc1C)c1ccccc1 2048 1 NB2011_RBC 93.03868738 0 0 1 100% 0 QNOXYUNHIGOWNY-UHFFFAOYSA-N COc1c(cc2c(c1)ncc(n2)c1ccccc1)OC 2049 1 NB2011_RBC 90.41834997 0 0 1 100% 0 GFNNBHLJANVSQV-UHFFFAOYSA-N COc1c(cc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)OC 2051 1 NB2011_RBC 27.76343855 1 1 0 100% 1 PMUJUSJUVIXDQC-UHFFFAOYSA-N CCOC(=O)c1c([nH]c(c1C)C=C1c2ccccc2NC1=O)C 5654 1 NB2011_RBC 79.9907509 0 0 1 100% 0 GGPZCOONYBPZEW-UHFFFAOYSA-N c1ccc(c(c1)C(=O)Nc1ccc(cc1)Cl)NCc1ccncc1 9797919 1 NB2011_RBC 89.78736573 0 0 1 100% 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 77.74441046 0 0 1 100% 0 RFHPWPWVGFSLOP-UHFFFAOYSA-N C1CCc2c(C1)cc([nH]2)C=C1c2c(ccc(c2)Br)NC1=O 5655 1 NB2011_RBC 89.15293338 0 0 1 100% 0 WUWDLXZGHZSWQZ-UHFFFAOYSA-N Cc1cc(c([nH]1)C=C1c2ccccc2NC1=O)C 123015 1 NB2011_RBC 81.05476083 0 0 1 100% 0 HBWLNACPIFKNIP-UHFFFAOYSA-N COc1ccc(cc1)c1cn2c(c(cn2)c2cscc2)nc1 5329468 1 NB2011_RBC 85.14237874 0 0 1 100% 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 89.73721059 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 90.54304388 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 4.380722192 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 1 NB2011_RBC 44.61901234 1 1 0 100% 1 ZTFBIUXIQYRUNT-MDWZMJQESA-N c1c(ccc(c1)C(F)(F)F)/C=C/c1occ(n1)COc1ccc(cc1)CCCCn1nncc1 6444692 1 NB2011_RBC 99.34019812 0 0 1 100% 0 BTIHMVBBUGXLCJ-OAHLLOKOSA-N OC[C@H](Nc1nc2n(C(C)C)cnc2c(n1)NCc1ccccc1)CC 160355 1 NB2011_RBC 95.24814559 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 98.98057054 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 1 NB2011_RBC 94.99593002 0 0 1 100% 0