0 B11R2.36 CC1=CC2=C(C=C1)CNC2 71833 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.36 CC1=CC2=C(C=C1)CNC2 W10108 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.36 CC1=CC2=NSN=C2C=C1 F52629 [0,0,0,0,0,0|4,0,0]=4 3 B11R2.36 CC1=NC2=C(C=N1)CNC2 85157 [0,0,0,0,0,0|1,0,0]=1 4 B11R2.36 CC1=NC2=C(C=NN2)C=N1 C11504 [0,0,0,0,0,0|2,0,1]=3 5 B11R2.36 CC1=NC=C2CNCC2=C1 F17653 [0,0,0,0,0,0|2,0,0]=2 6 B11R2.36 CC1=NC=C2CNCC2=C1 S11542 [0,0,0,0,0,0|2,0,0]=2 7 B11R2.36 ClC1=NC2=C(C=N1)COC2 AT15172 [0,0,0,0,0,0|1,1,0]=2 8 B11R2.36 ClC1=NC2=C(C=N1)NC=N2 FD13052 [0,0,0,0,0,0|4,0,0]=4 9 B11R2.36 FC1=CC2=C(C=C1)CCC2 36515 [0,0,0,0,0,0|4,0,0]=4 10 B11R2.36 IC1=CC2=C(C=C1)CCC2 C12643 [0,0,0,0,0,0|4,0,0]=4 11 B11R2.36 IC1=CC2=C(C=C1)CNC2 32000 [0,0,0,0,0,0|4,0,0]=4 12 B11R2.36 NC1=CC2=C(C=C1)CNC2 SC4171 [0,0,0,0,0,0|4,0,0]=4 13 B11R2.36 NC1=NC2=C(C=N1)CCC2 F20254 [0,0,0,0,0,0|2,0,0]=2 14 B11R2.36 OC1=NC2=C(C=C1)CCC2 20278 [0,0,0,0,0,0|3,0,0]=3 15 B10R2.7 C1=CC2=NSN=C2C=N1 AC5756 [1,0,0,0,0,0|3,0,0]=4 16 B10R2.7 C1=CN=C2CNCC2=N1 F12463 [1,0,0,0,0,0|3,0,0]=4 17 B10R2.7 C1=CN=C2NCCC2=C1 C13729 [1,0,0,0,0,0|3,0,0]=4 18 B10R2.7 C1=NC=C2CCNC2=N1 93647 [1,0,0,0,0,0|2,0,0]=3 19 B10R2.7 C1=NC=C2CCNC2=N1 C90715 [1,0,0,0,0,0|2,0,0]=3 20 B12R2.44 BrCC1=CC2=C(C=C1)CCC2 71843 [0,1,0,0,0,0|3,0,0]=4 21 B12R2.44 CNC1=CC2=C(C=C1)CCC2 F12591 [0,1,0,0,0,0|3,0,0]=4 22 B12R2.44 COC1=NC2=C(C=N1)SC=C2 66363 [0,1,0,0,0,0|2,0,1]=4 23 B12R2.44 COC1=NC2=C(C=NN2)C=N1 97032 [0,1,0,0,0,0|2,0,1]=4 24 B12R2.44 ClCC1=CC2=C(C=C1)CCC2 AT13426 [0,1,0,0,0,0|3,0,0]=4 25 B12R2.44 N#CC1=NC2=C(C=C1)CCC2 F53682 [0,1,0,0,0,0|2,0,1]=4 26 B12R2.44 NCC1=CC2=C(C=C1)CNC2 D87544 [0,1,0,0,0,0|3,0,0]=4 27 B12R2.44 OCC1=CC2=C(C=C1)CCC2 AT13427 [0,1,0,0,0,0|3,0,0]=4 28 B12R2.44 OCC1=CC2=C(C=N1)COC2 W11885 [0,1,0,0,0,0|1,1,0]=3 29 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N N10962 [0,1,0,0,0,0|3,0,0]=4 30 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N W12236 [0,1,0,0,0,0|3,0,0]=4 31 B12R2.246 CC1=CC(Cl)=NC2=C1CCC2 W18956 [0,1,0,0,0,0|3,0,0]=4 32 B12R2.246 ClC1=NC(Cl)=C2CCSC2=N1 37821 [0,1,0,0,0,0|3,0,0]=4 33 B12R2.246 ClC1=NC(Cl)=C2CNCC2=N1 F30305 [0,1,0,0,0,0|2,0,0]=3 34 B12R2.246 NC1=CC(Cl)=NC2=C1CCC2 85231 [0,1,0,0,0,0|3,0,0]=4 35 B12R2.246 O=C1NC(=O)C2=C(CSC2)N1 96577 [0,1,0,0,0,0|1,0,2]=4 36 B12R2.246 OC1=NC(O)=C2SCCC2=N1 50638 [0,1,0,0,0,0|3,0,0]=4 37 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N10840 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.1 CC1=NC=C(CC#N)C=C1 54748 [0,0,1,0,0,0|3,0,0]=4 39 B10R1.1 CC1=NC=C(CC#N)C=N1 93158 [0,0,1,0,0,0|2,0,0]=3 40 B10R1.1 CC1=NC=C(CNN)C=C1 F15210 [0,0,1,0,0,0|3,0,0]=4 41 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [0,0,1,0,0,0|3,0,0]=4 42 B10R1.1 OCCC1=CN=C(S)N=C1 AT18279 [0,0,1,0,0,0|3,0,0]=4 43 B10R1.10 CC1=CC=CC(CCBr)=N1 AC6969 [0,0,1,0,0,0|3,0,0]=4 44 B10R1.10 CC1=CC=CC(CCN)=N1 P19093 [0,0,1,0,0,0|3,0,0]=4 45 B10R1.10 CC1=NC=CC(CNN)=C1 F52070 [0,0,1,0,0,0|3,0,0]=4 46 B10R1.10 CC1=NC=CC(CNN)=C1 F52466 [0,0,1,0,0,0|3,0,0]=4 47 B10R1.10 CCOC1=NC(N)=NC=C1 AT18300 [0,0,1,0,0,0|3,0,0]=4 48 B10R1.10 CNCC1=CC(Cl)=NC=C1 AT26616 [0,0,1,0,0,0|3,0,0]=4 49 B10R1.10 CNCC1=NC(C)=CC=C1 D87644 [0,0,1,0,0,0|2,0,0]=3 50 B10R1.10 CSCC1=CC(N)=CC=C1 AT15211 [0,0,1,0,0,0|3,0,0]=4 51 B10R1.10 N#CCC1=CC=NC(Cl)=N1 F30312 [0,0,1,0,0,0|3,0,0]=4 52 B10R1.25 CC1=C(CCl)C=CC(F)=N1 77960 [0,0,1,0,0,0|3,0,0]=4 53 B10R1.25 CC1=C(CN)C=NC(N)=N1 C15221 [0,0,1,0,0,0|2,0,0]=3 54 B10R1.25 CC1=C(CO)C=CC(Br)=N1 AT12929 [0,0,1,0,0,0|2,1,0]=4 55 B10R1.25 CC1=C(CO)C=CC(Cl)=N1 F16741 [0,0,1,0,0,0|2,1,0]=4 56 B10R1.25 CC1=CC(C)=NC=C1CN W16199 [0,0,1,0,0,0|2,0,0]=3 57 B10R1.25 CC1=NC(C)=C(C=O)C=C1 F12423 [0,0,1,0,0,0|1,1,1]=4 58 B10R1.25 CC1=NC(C)=C(C=O)C=N1 D97637 [0,0,1,0,0,0|0,1,1]=3 59 B10R1.25 CC1=NC(C)=C(CN)C=N1 F53535 [0,0,1,0,0,0|1,0,0]=2 60 B10R1.25 CC1=NC(N)=C(CCl)C=N1 H11127 [0,0,1,0,0,0|2,0,0]=3 61 B10R1.25 CC1=NC=C(CO)C(O)=N1 C76221 [0,0,1,0,0,0|1,1,0]=3 62 B10R1.25 COC1=C(O)N=C(C)N=C1 F30536 [0,0,1,0,0,0|3,0,0]=4 63 B10R1.25 NC1=NC(N)=C(CO)C=N1 C15785 [0,0,1,0,0,0|2,1,0]=4 64 B10R1.25 NCC1=C(N)N=C(N)N=C1 C15813 [0,0,1,0,0,0|3,0,0]=4 65 B10R1.30 CC1=C(CO)N=C(Br)C=C1 AT18411 [0,0,1,0,0,0|2,1,0]=4 66 B10R1.30 CC1=CC=C(C)C(C#N)=N1 Y10193 [0,0,1,0,0,0|2,0,1]=4 67 B10R1.30 CC1=NC(CO)=C(F)C=C1 C91534 [0,0,1,0,0,0|2,1,0]=4 68 B10R1.30 CCC1=C(C)C=CC(C)=C1 T71937 [0,0,1,0,0,0|3,0,0]=4 69 B10R2.2 CC1=NC2=C(CNC2)S1 C80097 [0,0,0,0,1,0|2,0,0]=3 70 B10R2.2 CC1=NN2CCOC2=C1 94756 [0,0,0,0,1,0|3,0,0]=4 71 B10R2.2 CN1C=C2CNCC2=N1 D72177 [0,0,0,0,1,0|2,0,0]=3 72 B10R2.32 CC1=NNC2=C1CNC2 83195 [0,0,0,0,1,0|2,0,0]=3 73 B10R2.32 CN1N=CC2=C1CNC2 F52405 [0,0,0,0,1,0|2,0,0]=3 74 B10R2.32 NC1=NNC2=C1CCC2 72105 [0,0,0,0,1,0|3,0,0]=4 75 B10R2.32 NC1=NNC2=C1CNC2 C16810 [0,0,0,0,1,0|3,0,0]=4 76 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 C13599 [0,0,0,0,0,1|3,0,0]=4 77 B12R2.24 CC1=CC2=C(C=C1)CNCC2 C15799 [0,0,0,0,0,1|3,0,0]=4 78 B12R2.24 CC1=CC2=C(C=N1)NCCO2 D96756 [0,0,0,0,0,1|3,0,0]=4 79 B12R2.24 ClC1=NC2=C(C=N1)CCCC2 70942 [0,0,0,0,0,1|2,0,0]=3 80 B12R2.24 ClC1=NC2=C(C=N1)NCCO2 F52365 [0,0,0,0,0,1|3,0,0]=4 81 B12R2.24 ClC1=NC2=C(C=N1)OCCN2 F52366 [0,0,0,0,0,1|3,0,0]=4 82 B12R2.24 NC1=NC2=C(CNCC2)N=N1 F13770 [0,0,0,0,0,1|3,0,0]=4 83 B9R1.1 C=CC1=CN=C(C)N=C1 P14948 [1,0,1,0,0,0|0,0,2]=4 84 B9R1.1 CC1=NC=C(CBr)C=C1 F52459 [1,0,1,0,0,0|2,0,0]=4 85 B9R1.1 CC1=NC=C(CCl)C=C1 D87733 [1,0,1,0,0,0|2,0,0]=4 86 B9R1.1 CSC1=CN=C(N)N=C1 C16305 [1,0,1,0,0,0|1,0,0]=3 87 B9R1.8 CCCC1=CC=CN=C1 O11051 [1,0,1,0,0,0|2,0,0]=4 88 B9R1.8 CNCC1=CN=CN=C1 38577 [1,0,1,0,0,0|1,0,0]=3 89 B9R1.8 CNCC1=NC=NC=C1 C14477 [1,0,1,0,0,0|1,0,0]=3 90 B9R1.8 NCCC1=NC=NC=C1 P10950 [1,0,1,0,0,0|2,0,0]=4 91 B9R1.2 CC1=NC=CC(CCl)=N1 F53395 [1,0,1,0,0,0|1,0,0]=3 92 B9R1.2 CC1=NC=CC(CN)=N1 F14224 [1,0,1,0,0,0|1,0,0]=3 93 B9R1.2 CSC1=NC(N)=NC=C1 AT18329 [1,0,1,0,0,0|1,0,0]=3 94 B9R1.2 ClC1=NC=CC(CBr)=N1 F12213 [1,0,1,0,0,0|2,0,0]=4 95 B9R1.15 CC1=C(C=O)C=NC=N1 O11269 [1,0,1,0,0,0|0,1,1]=4 96 B9R1.15 CC1=C(CBr)C=CC=N1 FD9046 [1,0,1,0,0,0|2,0,0]=4 97 B9R1.15 CC1=C(CBr)C=CC=N1 P11218 [1,0,1,0,0,0|2,0,0]=4 98 B9R1.15 CC1=C(CCl)C=CC=N1 P10970 [1,0,1,0,0,0|2,0,0]=4 99 B9R1.15 CC1=C(CCl)C=NC=C1 P10971 [1,0,1,0,0,0|2,0,0]=4 100 B9R1.15 CC1=C(CO)C=NC=N1 F31023 [1,0,1,0,0,0|0,1,0]=3 101 B9R1.15 CC1=CC=CN=C1CBr D97530 [1,0,1,0,0,0|2,0,0]=4 102 B9R1.15 CC1=CN=CN=C1C#N F53173 [1,0,1,0,0,0|1,0,1]=4 103 B9R1.15 CCC1=CC=CN=C1C 75814 [1,0,1,0,0,0|2,0,0]=4 104 B9R1.15 CCC1=CN=CN=C1O C15413 [1,0,1,0,0,0|2,0,0]=4 105 B9R1.15 NC1=C(CO)C=NC=N1 AT18389 [1,0,1,0,0,0|1,1,0]=4 106 B9R1.69 CC1=C(C)N=C(Br)C=C1 F16237 [1,0,1,0,0,0|2,0,0]=4 107 B9R1.69 CC1=C(C)N=C(O)C=C1 F51184 [1,0,1,0,0,0|2,0,0]=4 108 B9R1.69 CC1=C(O)N=C(Cl)N=C1 AC8001 [1,0,1,0,0,0|1,1,0]=4 109 B9R1.69 CC1=C(S)N=C(S)N=C1 W17242 [1,0,1,0,0,0|1,0,0]=3 110 B9R1.69 CC1=CN=C(O)C=C1C AT24357 [1,0,1,0,0,0|2,0,0]=4 111 B9R1.69 CC1=NC(Cl)=C(I)C=N1 O11217 [1,0,1,0,0,0|2,0,0]=4 112 B11R1.22 COC(=O)C1=CN=C(C)N=C1 P11085 [0,1,1,0,0,0|0,1,1]=4 113 B11R1.83 COC1=NC=C(CCN)C=N1 AT18225 [0,1,1,0,0,0|2,0,0]=4 114 B11R1.83 COC1=NC=C(CCN)C=N1 AT18231 [0,1,1,0,0,0|2,0,0]=4 115 B11R1.83 COC1=NC=C(CCO)C=N1 AT18226 [0,1,1,0,0,0|2,0,0]=4 116 B11R1.34 CCCC1=CC(Cl)=NC(C)=N1 76064 [0,1,1,0,0,0|1,0,0]=3 117 B11R1.34 CSCC1=CC(Cl)=NC(Cl)=C1 C91470 [0,1,1,0,0,0|2,0,0]=4 118 B11R1.37 COC1=NC(C)=CC=C1CO W17835 [0,1,1,0,0,0|1,1,0]=4 119 B11R1.279 COC1=NC(C)=C(CO)C=C1 O10141 [0,1,1,0,0,0|1,1,0]=4 120 B11R1.8 CC1=CC(O)=C(C)C(CCl)=N1 44447 [0,1,1,0,0,0|2,0,0]=4 121 B11R1.8 CCC1=C(C)C(Cl)=NC(N)=N1 S10235 [0,1,1,0,0,0|2,0,0]=4 122 B11R1.280 CSC1=NC(CN)=C(Br)C=N1 AC4899 [0,1,1,0,0,0|2,0,0]=4 123 B11R2.1 C[C@@H]1NCC2=NC=NC=C21 82267 [1,1,0,0,0,0|1,0,0]=3 124 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D81362 [1,1,0,0,0,0|2,0,0]=4 125 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79496 [1,1,0,0,0,0|2,0,0]=4 126 B11R2.1 O=C1NCC2=CN=CN=C12 F52126 [1,1,0,0,0,0|1,0,1]=4 127 B11R2.106 BrC1=C2CCCC2=NC=C1 F53407 [1,1,0,0,0,0|2,0,0]=4 128 B11R2.106 BrC1=NC=CC2=C1CNC2 D97047 [1,1,0,0,0,0|2,0,0]=4 129 B11R2.106 ClC1=C2CNCC2=NC=C1 S11449 [1,1,0,0,0,0|2,0,0]=4 130 B11R2.106 ClC1=NC=NC2=C1COC2 85700 [1,1,0,0,0,0|0,1,0]=3 131 B11R2.106 ClC1=NC=NC2=C1CSC2 69821 [1,1,0,0,0,0|0,0,0]=2 132 B11R2.106 NC1=NC=NC2=C1CCN2 C16504 [1,1,0,0,0,0|2,0,0]=4 133 B11R2.191 CNC1=NNC2=C1CCC2 W10132 [0,1,0,0,1,0|2,0,0]=4 134 B11R2.191 OCC1=NNC2=C1CCC2 F13209 [0,1,0,0,1,0|2,0,0]=4 135 B11R2.202 O=C1OC(=O)C2=C1CSC2 A11296 [0,1,0,0,1,0|2,0,0]=4 136 B13R2.57 COC1=NC2=C(C=N1)CNCC2 20266 [0,1,0,0,0,1|1,0,0]=3 137 B13R2.57 COC1=NC=C2CCNCC2=C1 F13195 [0,1,0,0,0,1|2,0,0]=4 138 B13R2.57 NCC1=CC=C2CCCNC2=N1 69936 [0,1,0,0,0,1|2,0,0]=4 139 B13R2.328 CC1=CC(O)=C2CCCCC2=N1 F18337 [0,1,0,0,0,1|2,0,0]=4 140 B13R2.328 NC1=NC(N)=C2CNCCC2=N1 P20534 [0,1,0,0,0,1|2,0,0]=4 141 B13R2.328 OC1=NC(O)=C2CCCNC2=N1 72549 [0,1,0,0,0,1|2,0,0]=4 142 B13R2.328 OC1=NC(O)=C2CNCCC2=N1 CS2820 [0,1,0,0,0,1|2,0,0]=4 143 B13R2.328 OC1=NC(O)=C2CSCCC2=N1 81091 [0,1,0,0,0,1|1,0,0]=3 144 B13R2.3683 CN1CCC2=C(C=NC(Cl)=N2)C1 96017 [0,1,0,0,0,1|2,0,0]=4 145 B13R2.3683 C[C@H]1CCC2=C(C=NC(N)=N2)C1 95188 [0,1,0,0,0,1|2,0,0]=4 146 B13R2.654 CSC1=NC(O)=C2SCCC2=N1 C13558 [0,2,0,0,0,0|2,0,0]=4 147 B13R2.3742 C[C@@H]1SCC2=C(Cl)N=C(Cl)N=C21 96600 [0,2,0,0,0,0|1,0,0]=3 148 B11R2.35 CC1=CC=CC(C2CC2)=N1 AC9039 [0,0,1,1,0,0|2,0,0]=4 149 B11R2.35 NC1=NC(C2CC2)=CC=N1 AT12433 [0,0,1,1,0,0|2,0,0]=4 150 B11R2.35 OC1=NC(C2CC2)=CC=N1 AT21509 [0,0,1,1,0,0|2,0,0]=4 151 B9R1.7 CNCC1=CC(C)=NO1 C15741 [0,0,1,0,1,0|2,0,0]=4 152 B9R1.7 CNCC1=CN(C)N=C1 P14032 [0,0,1,0,1,0|2,0,0]=4 153 B9R1.7 CNCC1=CSC(C)=N1 F30719 [0,0,1,0,1,0|2,0,0]=4 154 B9R1.7 COCC1=NC(C)=NN1 AT21382 [0,0,1,0,1,0|1,1,0]=4 155 B9R1.22 CC1=CC(CCl)=C(C)S1 AT17067 [0,0,1,0,1,0|2,0,0]=4 156 B9R1.22 CC1=CC(CN)=C(C)O1 AT17533 [0,0,1,0,1,0|2,0,0]=4 157 B9R1.22 CC1=CC(CN)=C(C)O1 AT17544 [0,0,1,0,1,0|2,0,0]=4 158 B9R1.22 CC1=CC(CN)=C(C)S1 AT16798 [0,0,1,0,1,0|2,0,0]=4 159 B9R1.22 CC1=CC(CO)=C(C)S1 AT16768 [0,0,1,0,1,0|1,1,0]=4 160 B9R1.22 CC1=NC(C)=C(CCl)N1 AT15570 [0,0,1,0,1,0|1,0,1]=4 161 B9R1.22 CC1=NC(C)=C(CCl)O1 88379 [0,0,1,0,1,0|2,0,0]=4 162 B9R1.22 CC1=NC(C)=C(CN)S1 AC4653 [0,0,1,0,1,0|2,0,0]=4 163 B9R1.22 CC1=NC(CBr)=C(C)S1 AT15282 [0,0,1,0,1,0|2,0,0]=4 164 B9R1.22 CC1=NC(CCl)=C(C)O1 AT18616 [0,0,1,0,1,0|2,0,0]=4 165 B9R1.22 CC1=NC(CCl)=C(C)S1 AT15305 [0,0,1,0,1,0|2,0,0]=4 166 B9R1.22 CC1=NN(C)C(CCl)=N1 AT12165 [0,0,1,0,1,0|2,0,0]=4 167 B9R1.22 CC1=NN(C)C=C1CCl AT16096 [0,0,1,0,1,0|2,0,0]=4 168 B9R1.22 CC1=NN(C)C=C1CO AT14447 [0,0,1,0,1,0|1,1,0]=4 169 B9R1.132 CC1=C(C)C(CN)=CS1 AT16799 [0,0,1,0,1,0|2,0,0]=4 170 B9R1.132 CC1=C(CCl)C=NN1C AT16093 [0,0,1,0,1,0|2,0,0]=4 171 B9R1.27 CC1=C(CCl)N(C)N=C1 F30435 [0,0,1,0,1,0|2,0,0]=4 172 B9R1.27 CC1=CSC(C)=C1CO 93334 [0,0,1,0,1,0|1,1,0]=4 173 B9R1.27 CC1=NOC(C)=C1CS 89771 [0,0,1,0,1,0|1,0,0]=3 174 B9R2.3 C1=CC2=C(CNC2)O1 91178 [1,0,0,0,1,0|2,0,0]=4 175 B9R2.3 C1=NC2=C(CNC2)S1 AC2026 [1,0,0,0,1,0|2,0,0]=4 176 B11R2.20 C1=CN=C2CNCCC2=C1 P10652 [1,0,0,0,0,1|2,0,0]=4 177 B11R2.20 C1=NC=C2CCNCC2=N1 P19161 [1,0,0,0,0,1|1,0,0]=3 178 B13R2.3729 NC1=NC2=C(C=N1)CCCCC2 95189 [0,0,0,0,0,2|2,0,0]=4