0 B26R4.53056 COc1ccc(cc1)c2nn3c(s2)nnc3c4ccccc4F Amb1262141 [0,0,0,0,0,0|0,0,0]=0 1 B25R4.2787 COc1ccc(cc1)C2Nn3c(S2)nnc3-c4ccccc4 Amb17779713 [1,0,0,0,0,0|0,0,2]=3 2 B25R4.2787 COc1ccc(cc1)C2Nn3c(S2)nnc3-c4cccnc4 Amb17779716 [1,0,0,0,0,0|1,0,2]=4 3 B25R4.2787 COc1ccc(cc1)c2nn3c(n2)scc3c4ccccc4 Amb1250770 [1,0,0,0,0,0|3,0,0]=4 4 B25R4.2787 COc1ccc(cc1)c2nn3c(s2)nnc3c4cccnc4 Amb1084685 [1,0,0,0,0,0|1,0,0]=2 5 B25R4.2255723 Cc1ccc(cn1)c2nn3c(s2)nnc3c4ccccc4Br Amb10072861 [1,0,0,0,0,0|1,1,0]=3 6 B25R4.2255723 Fc1ccc(cc1)c2nn3c(s2)nnc3c4ccccc4C Amb1911783 [1,0,0,0,0,0|2,0,0]=3 7 B25R4.2255723 Nc1ccc(cc1)c2nn3c(s2)nnc3c4ccccc4C Amb17193683 [1,0,0,0,0,0|2,0,0]=3 8 B27R4.66521 COc1ccc(cc1)C2Nn3c(S2)nnc3-c4ccccc4OC Amb17779708 [0,1,0,0,0,0|1,0,2]=4 9 B27R4.2967682 Brc1ccccc1c2nnc3n2nc(s3)c4ccc(cc4)N(C)C Amb10072859 [0,1,0,0,0,0|1,1,0]=3 10 B27R4.16385837 COc1ccc(cc1)c2nn3c(s2)nnc3c4ccc(cc4Cl)Cl Amb1090200 [0,1,0,0,0,0|0,1,0]=2 11 B25R3.34968 COc1ccc(cc1)c2nn(c(n2)N)C(=O)c3ccccc3F Amb16650617 [0,0,1,0,0,0|2,0,1]=4 12 B25R3.2755279 COc1ccc(\C=N\N2C(=S)NN=C2c3ccccc3Cl)cc1 Amb19898674 [0,0,1,0,0,0|0,1,2]=4 13 B25R3.2755279 COc1ccc(\C=N\N2C(=S)NN=C2c3ccccc3F)cc1 Amb19782008 [0,0,1,0,0,0|0,0,2]=3 14 B25R3.2755279 COc1ccc(cc1)\C=N\n2c(S)nnc2c3ccccc3Br Amb2472666 [0,0,1,0,0,0|0,1,0]=2 15 B25R3.2755279 CSc1ccc(\C=N\N2C(=S)NN=C2c3ccccc3F)cc1 Amb19781380 [0,0,1,0,0,0|0,1,2]=4 16 B25R3.2755279 CSc1ccc(cc1)\C=N\n2c(S)nnc2c3ccccc3Cl Amb2472690 [0,0,1,0,0,0|0,2,0]=3 17 B25R3.2755279 Cc1ccccc1C2=NNC(=S)N2\N=C\c3ccc(cc3)OC Amb19861558 [0,0,1,0,0,0|1,0,2]=4 18 B25R3.2756615 COc1ccc(cc1)CSc2nnc(n2N)c3ccccc3C Amb2483392 [0,0,1,0,0,0|1,0,2]=4 19 B25R3.2756615 COc1ccc(cc1)CSc2nnc(n2N)c3ccccc3Cl Amb1675828 [0,0,1,0,0,0|0,1,2]=4 20 B25R3.2756615 COc1ccc(cc1)CSc2nnc(n2N)c3ccccc3F Amb1676406 [0,0,1,0,0,0|0,0,2]=3 21 B27R4.2697528 COc1ccc(cc1)c2nn3c(s2)nnc3Cc4ccccc4Cl Amb19143574 [0,0,0,0,0,1|0,1,0]=2 22 B24R3.26201 CCc1ccc(cc1)C=Nn2c(S)nnc2c3ccccc3 Amb2470452 [1,0,1,0,0,0|1,0,0]=3 23 B24R3.26201 CCc1ccc(cc1)\C=N\n2c(S)nnc2c3ccccc3 Amb1822771 [1,0,1,0,0,0|1,0,0]=3 24 B24R3.26201 COc1ccc(\C=N\N2C(=S)NN=C2c3ccccc3)cc1 Amb19813201 [1,0,1,0,0,0|0,0,2]=4 25 B24R3.26201 COc1ccc(cc1)C=Nn2c(S)nnc2c3ccccc3 Amb2470439 [1,0,1,0,0,0|0,0,0]=2 26 B24R3.26201 COc1ccc(cc1)\C=N\n2c(S)nnc2c3ccccc3 Amb1639148 [1,0,1,0,0,0|0,0,0]=2 27 B24R3.26201 COc1ccc(cc1)\C=N\n2c(n[nH]c2=S)c3ccccc3 Amb1040551 [1,0,1,0,0,0|0,0,2]=4 28 B24R3.26201 CSc1ccc(cc1)C=Nn2c(S)nnc2c3ccccc3 Amb2470444 [1,0,1,0,0,0|0,1,0]=3 29 B24R3.26201 CSc1ccc(cc1)\C=N\n2c(S)nnc2c3ccccc3 Amb1821636 [1,0,1,0,0,0|0,1,0]=3 30 B24R3.26201 N#Cc1ccc(cc1)C=Nn2c(S)nnc2c3ccccc3 Amb13958962 [1,0,1,0,0,0|2,0,0]=4 31 B24R3.1057800 Brc1ccc(cc1)\C=N\n2c(S)nnc2c3ccccc3Br Amb2472668 [1,0,1,0,0,0|1,1,0]=4 32 B24R3.1057800 Cc1ccc(\C=N\N2C(=S)NN=C2c3ccccc3F)cc1 Amb19782975 [1,0,1,0,0,0|0,0,2]=4 33 B24R3.1057800 Clc1ccc(cc1)\C=N\n2c(S)nnc2c3ccccc3Br Amb2472667 [1,0,1,0,0,0|1,1,0]=4 34 B24R3.1057800 Oc1ccc(\C=N\N2C(=S)NN=C2c3ccccc3F)cc1 Amb19780064 [1,0,1,0,0,0|0,0,2]=4 35 B24R3.1057800 Oc1ccc(cc1)C=Nn2c(S)nnc2c3ccccc3C Amb13958999 [1,0,1,0,0,0|1,0,0]=3 36 B24R3.37765392 Cc1ccc(cc1)CSc2nnc(n2C)c3ccccc3F Amb2444748 [1,0,1,0,0,0|1,0,1]=4 37 B24R3.37765392 Cc1ccc(cc1)CSc2nnc(n2N)c3ccccc3F Amb1663954 [1,0,1,0,0,0|0,0,2]=4 38 B24R4.22342 Brc1ccc(cc1)c2nn3c(s2)nnc3c4cccnc4 Amb1933356 [2,0,0,0,0,0|2,0,0]=4 39 B24R4.22342 Cc1ccc(cc1)C2N[n]3c([n][n]c3-c4ccccc4)S2 Amb22046721 [2,0,0,0,0,0|0,0,2]=4 40 B24R4.22342 Cc1ccc(cc1)c2nn3c(s2)nnc3c4ccccc4 Amb1101576 [2,0,0,0,0,0|0,0,0]=2 41 B24R4.22342 Cc1ccc(cc1)c2nn3c(s2)nnc3c4ccncc4 Amb1100255 [2,0,0,0,0,0|1,0,0]=3 42 B24R4.22342 Cc1ccc(cn1)c2nn3c(s2)nnc3c4ccccn4 Amb10072915 [2,0,0,0,0,0|2,0,0]=4 43 B24R4.22342 Clc1ccc(cc1)c2nn3c(s2)nnc3c4ccncc4 Amb1088403 [2,0,0,0,0,0|2,0,0]=4 44 B24R4.22342 Fc1ccc(cc1)c2nn3c(s2)nnc3c4ccccn4 Amb1098473 [2,0,0,0,0,0|2,0,0]=4 45 B24R4.22342 Fc1ccc(cc1)c2nn3c(s2)nnc3c4ccncc4 Amb1087653 [2,0,0,0,0,0|2,0,0]=4 46 B24R4.22342 Ic1ccc(cc1)-c2[n][n]3c([n][n]c3-c4cc[n]cc4)[s]2 Amb24310599 [2,0,0,0,0,0|2,0,0]=4 47 B24R4.22342 Nc1ccc(cc1)c2nn3c(s2)nnc3c4ccccc4 Amb17193682 [2,0,0,0,0,0|1,0,0]=3 48 B24R4.40926 Fc1ccccc1c2nnc3n2nc(s3)c4ccccc4 Amb1262140 [2,0,0,0,0,0|0,0,0]=2 49 B24R4.40926 Fc1ccccc1c2nnc3n2nc(s3)c4cccnc4 Amb12806091 [2,0,0,0,0,0|1,0,0]=3 50 B24R4.40926 Fc1ccccc1c2nnc3n2nc(s3)c4ccncc4 Amb13781775 [2,0,0,0,0,0|1,0,0]=3 51 B24R4.40926 Fc1ccccc1c2nnc3n2nc(s3)c4cnccn4 Amb13779342 [2,0,0,0,0,0|2,0,0]=4 52 B26R3.46674 COc1ccc(cc1)C2=NN\C(=N\C(=O)Nc3ccccc3F)\S2 Amb19817937 [0,1,1,0,0,0|2,0,0]=4 53 B26R3.3030920 CCc1ccc(cc1)C=Nn2c(S)nnc2c3ccc(cc3Cl)Cl Amb1820543 [0,1,1,0,0,0|1,1,0]=4 54 B26R3.3030920 COc1ccc(cc1)C=Nn2c(S)nnc2c3ccc(cc3Cl)Cl Amb1820464 [0,1,1,0,0,0|0,1,0]=3 55 B26R3.3030920 CSc1ccc(cc1)C=Nn2c(S)nnc2c3ccc(cc3Cl)Cl Amb1824617 [0,1,1,0,0,0|0,2,0]=4 56 B26R3.3035605 CSc1ccc(cc1)\C=N\n2c(S)nnc2c3ccccc3OC Amb2472722 [0,1,1,0,0,0|1,1,0]=4 57 B26R3.7040693 CCOc1ccc(\C=N\N2C(=S)NN=C2c3ccccc3F)cc1 Amb19945595 [0,1,1,0,0,0|0,0,2]=4 58 B26R3.7851828 COc1ccc(\C=N\N2C(=S)NN=C2c3ccccc3F)cc1Br Amb19780917 [0,1,1,0,0,0|0,0,2]=4 59 B26R4.3142 COc1ccc(cc1)c2nn3c(s2)nnc3c4ccc(cc4)Cl Amb1100253 [1,1,0,0,0,0|0,0,0]=2 60 B26R4.8096 CCOc1ccc(cc1)C2N[n]3c([n][n]c3-c4ccccc4)S2 Amb22046563 [1,1,0,0,0,0|0,0,2]=4 61 B26R4.53063 COc1ccc(cc1)c2nn3c(s2)nnc3c4cccc(c4)F Amb1101567 [1,1,0,0,0,0|0,0,0]=2 62 B26R4.127687 [O-][N+](=O)c1ccc(cc1)c2sc3n(n2)c(nn3)c4ccccc4 Amb1262122 [1,1,0,0,0,0|2,0,0]=4 63 B26R4.12062984 Brc1ccc(cc1)c2nn3c(s2)nnc3c4cc(F)ccc4F Amb1101552 [1,1,0,0,0,0|1,0,0]=3 64 B26R4.12062984 Cc1ccc(cc1)c2nn3c(s2)nnc3c4cc(F)ccc4F Amb1100237 [1,1,0,0,0,0|0,0,0]=2 65 B26R4.81303312 Brc1ccc(cc1)c2sc3n(n2)c(nn3)c4ccc(cc4Cl)Cl Amb1090121 [1,1,0,0,0,0|1,1,0]=4 66 B26R4.81303312 Clc1ccc(cc1)c2nn3c(s2)nnc3c4ccc(cc4Cl)Cl Amb1090214 [1,1,0,0,0,0|1,1,0]=4 67 B26R4.81303312 Fc1ccc(cc1)c2sc3n(n2)c(nn3)c4ccc(cc4Cl)Cl Amb1089127 [1,1,0,0,0,0|1,1,0]=4 68 B26R4.101239682 Cc1cc(ccc1C)c2sc3n(n2)c(nn3)c4ccccc4C Amb1911781 [1,1,0,0,0,0|1,0,0]=3 69 B28R4.23107723 COc1ccc(cc1)Cc2nn3c(s2)nnc3c4ccc(cc4Cl)Cl Amb1090203 [0,1,0,0,0,1|0,1,0]=3 70 B28R4.23107739 COc1ccc(\C=C/2\Sc3[n][n]c(-c4ccccc4Cl)[n]3C2=O)cc1 Amb20228204 [0,1,0,0,0,1|1,1,0]=4 71 B28R4.23107739 COc1ccc(\C=C\2/Sc3[n][n]c(-c4ccccc4Cl)[n]3C2=O)cc1 Amb19531510 [0,1,0,0,0,1|1,1,0]=4 72 B28R4.23107739 COc1ccc(cc1)/C=c2\sc3nnc(-c4ccccc4Br)n3c2=O Amb17946004 [0,1,0,0,0,1|1,1,0]=4 73 B28R4.23107739 COc1ccc(cc1)/C=c2\sc3nnc(-c4ccccc4C)n3c2=O Amb17755638 [0,1,0,0,0,1|2,0,0]=4 74 B28R4.23107739 COc1ccc(cc1)/C=c2\sc3nnc(-c4ccccc4Cl)n3c2=O Amb17944398 [0,1,0,0,0,1|1,1,0]=4 75 B28R4.23107739 COc1ccc(cc1)\C=c/2\sc3n(c2=O)c(nn3)c4ccccc4C Amb17784210 [0,1,0,0,0,1|2,0,0]=4 76 B28R4.3057595 CCc1ccc(cc1)C2=Nn3c(SC2)nnc3c4ccccc4OC Amb16521752 [0,1,0,0,0,1|2,0,0]=4 77 B28R4.3057595 COc1ccc(cc1)C2=Nn3c(SC2)nnc3-c4ccccc4OC Amb17756845 [0,1,0,0,0,1|1,0,0]=3 78 B28R4.3057602 COc1ccc(cc1)C2=Nn3c(SC2)nnc3c4cccc(c4Cl)Cl Amb16508253 [0,1,0,0,0,1|0,1,0]=3 79 B28R4.138308819 COc1ccc(cc1)C2=CC(=O)[n]3c([n][n]c3-c4ccccc4F)S2 Amb19803874 [0,1,0,0,0,1|1,0,0]=3 80 B28R4.3210241 COc1ccc(cc1)c2nn3c(s2)nnc3c4cc(Cl)ccc4OC Amb1100323 [0,2,0,0,0,0|1,0,0]=3 81 B28R4.2559353 CCCOc1ccc(cc1)c2nn3c(s2)nnc3c4ccccc4Cl Amb1101556 [0,2,0,0,0,0|0,1,0]=3 82 B26R4.2478398 COc1ccc(cc1)C2=Nn3c(C)nnc3c4c(C2)cccc4 Amb1971709 [0,0,1,1,0,0|2,0,0]=4 83 B28R5.3745508 Brc1ccccc1c2nnc3n2nc(s3)c4ccc5c(c4)OCO5 Amb1929040 [0,1,0,1,0,0|0,1,0]=3 84 B28R5.3745508 Cc1ccccc1c2nnc3n2nc(s3)c4ccc5c(c4)OCO5 Amb1900471 [0,1,0,1,0,0|1,0,0]=3 85 B24R4.2404 COc1ccc(cc1)c2nn3c(s2)nnc3c4cccs4 Amb1087666 [1,0,0,0,1,0|1,0,0]=3 86 B24R4.2404 COc1ccc(cc1)c2nn3c(s2)nnc3c4cscc4 Amb12805874 [1,0,0,0,1,0|1,0,0]=3 87 B26R3.51194 COc1ccc(cc1)C(=O)CSc2nnc([nH]2)c3ccccc3Br Amb100600 [0,0,1,0,0,1|1,1,0]=4 88 B26R4.46710 COc1ccc(cc1)C2=Nn3c(SC2)nnc3c4ccccc4 Amb1328135 [1,0,0,0,0,1|0,0,0]=2 89 B26R4.12019347 Brc1ccc(cc1)C2=Nn3c(SC2)nnc3c4ccccc4O Amb16508249 [1,0,0,0,0,1|2,0,0]=4 90 B26R4.12019347 Cc1ccc(cc1)C2=CSc3nnc(-c4ccccc4Br)n3N2 Amb17699802 [1,0,0,0,0,1|0,1,1]=4 91 B26R4.12062995 Cc1ccccc1Cc2[n][n]c3[s]c([n][n]32)-c4ccc(N)cc4 Amb23595359 [1,0,0,0,0,1|2,0,0]=4 92 B28R4.3321756 COc1ccc(cc1)Sc2ccc3[n][n]c(-c4ccccc4F)[n]3[n]2 Amb23793527 [0,0,0,0,0,2|1,0,0]=3 93 B28R4.3321756 CSc1ccc(cc1)Oc2ccc3[n][n]c(-c4ccccc4F)[n]3[n]2 Amb23793125 [0,0,0,0,0,2|1,1,0]=4 94 B28R4.21818696 COc1ccc(cc1)Cc2nn3c(s2)nnc3Cc4ccccc4Cl Amb19144383 [0,0,0,0,0,2|0,1,0]=3 95 B28R4.3359151 CCc1ccc(cc1)C2=Nn3c(SC2)nnc3Cc4ccccc4F Amb2283515 [0,0,0,0,0,2|1,0,0]=3