0 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 ACI-00930 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.10 NC1=NC2=CC=CN=C2N1 ACI-04394 [0,0,0,0,0,0|4,0,0]=4 2 B11R2.10 OC1=NC2=NC=CC=C2O1 SB-05C-023 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.10 S=C1CC2=CC=CC=C2N1 ACI-00937 [0,0,0,0,0,0|2,0,1]=3 4 B11R2.10 SC1=NC2=C(C=CC=C2)S1 ACI-01509 [0,0,0,0,0,0|2,1,0]=3 5 B10R2.7 C1=CC2=NN=CN2C=C1 ACI-04750 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)S1 ACI-00954 [0,1,0,0,0,0|0,1,0]=2 7 B12R2.18 CC1CC2=C(C=CC=C2)C1=O JM-03H-001 [0,1,0,0,0,0|1,0,1]=3 8 B12R2.18 CN1C(=O)CC2=CC=CC=C21 RH-11F-002 [0,1,0,0,0,0|2,0,1]=4 9 B12R2.32 BrCC1=NC2=C(C=CC=C2)S1 ACI-00484 [0,1,0,0,0,0|1,1,0]=3 10 B12R2.32 COC1=NC2=CC=CC=C2N1 ACI-06429 [0,1,0,0,0,0|2,0,0]=3 11 B12R2.32 ClCC1=NC2=C(C=CC=C2)N1 ACI-NI-00442 [0,1,0,0,0,0|2,0,0]=3 12 B12R2.32 ClCC1=NC2=NC=CC=C2O1 ACI-00988 [0,1,0,0,0,0|2,0,0]=3 13 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 ACI-01522 [0,1,0,0,0,0|0,0,1]=2 14 B12R2.32 NNC1=NC2=C(C=CC=C2)N1 ACI-00229 [0,1,0,0,0,0|3,0,0]=4 15 B12R2.32 NNC1=NC2=C(C=CC=C2)O1 SB-07D-002 [0,1,0,0,0,0|2,0,0]=3 16 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 ACI-02595 [0,1,0,0,0,0|1,0,1]=3 17 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 ACI-00894 [0,1,0,0,0,0|0,0,1]=2 18 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 ACI-00958 [0,1,0,0,0,0|0,1,1]=3 19 B12R2.32 O=CC1=CC2=C(N=CC=C2)S1 ACI-02151 [0,1,0,0,0,0|1,1,1]=4 20 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 ACI-02594 [0,1,0,0,0,0|1,0,0]=2 21 B12R2.32 OCC1=CC2=C(N=CC=C2)S1 ACI-02152 [0,1,0,0,0,0|1,1,0]=3 22 B12R2.32 OCC1=CN2C=CC=CC2=N1 ACI-04809 [0,1,0,0,0,0|2,0,0]=3 23 B12R2.202 CC1=CN2C(C)=CC=CC2=N1 JM-08K-005 [0,1,0,0,0,0|2,0,0]=3 24 B12R2.202 NC1=C2OC(=O)NC2=CC=C1 ACI-05945 [0,1,0,0,0,0|2,0,0]=3 25 B12R2.202 NC1=CC=CC2=C1NC(=O)N2 ACI-04839 [0,1,0,0,0,0|3,0,0]=4 26 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)S1 ACI-00966 [0,1,0,0,0,0|1,1,0]=3 27 B12R2.606 ClC1=CC=C2N=C(Cl)SC2=C1 WS-05C-016 [0,1,0,0,0,0|2,1,0]=4 28 B12R2.606 NC1=CC2=C(C=C1)N=C(Br)S2 ACI-02398 [0,1,0,0,0,0|2,1,0]=4 29 B12R2.606 NC1=CC=C2N=C(Cl)SC2=C1 JM-06D-002 [0,1,0,0,0,0|2,1,0]=4 30 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 ACI-02618 [0,1,0,0,0,0|2,0,0]=3 31 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)S1 ACI-NI-00297 [0,1,0,0,0,0|2,1,0]=4 32 B12R2.606 NC1=NC2=C(C=C(O)C=C2)S1 ACI-00489 [0,1,0,0,0,0|2,1,0]=4 33 B12R2.606 SC1=NC2=C(C=C(Br)C=C2)S1 ACI-01508 [0,1,0,0,0,0|2,1,0]=4 34 B12R2.606 SC1=NC2=C(C=C(Cl)C=C2)S1 ACI-01507 [0,1,0,0,0,0|2,1,0]=4 35 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06378 [0,0,1,0,0,0|2,0,1]=4 36 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06379 [0,0,1,0,0,0|2,0,1]=4 37 B10R1.18 N=C(N)NC1=CC=CC=C1 ACI-04704 [0,0,1,0,0,0|3,0,0]=4 38 B10R1.18 NC(=S)CC1=CC=CC=C1 SB-02C-001 [0,0,1,0,0,0|1,1,1]=4 39 B10R1.18 NC(N)=NC1=CC=CC=C1 ACI-00069 [0,0,1,0,0,0|3,0,0]=4 40 B12R2.24 O=C1CNC2=CC=CC=C2O1 ACI-02216 [0,0,0,0,0,1|1,0,1]=3 41 B12R2.24 O=C1NC2=CC=CC=C2CO1 ACI-02206 [0,0,0,0,0,1|2,0,0]=3 42 B12R2.24 O=C1NCC2=CC=CC=C2O1 ACI-02210 [0,0,0,0,0,1|1,0,1]=3 43 B12R2.24 OC1=CN=C2C=CC=CC2=N1 ACI-01320 [0,0,0,0,0,1|2,0,0]=3 44 B9R1.8 O=CNC1=CC=CC=C1 ACI-01582 [1,0,1,0,0,0|1,0,1]=4 45 B9R1.15 CNC1=CC=CC=C1O ACI-05339 [1,0,1,0,0,0|1,0,0]=3 46 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06376 [1,0,1,0,0,0|2,0,0]=4 47 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06377 [1,0,1,0,0,0|2,0,0]=4 48 B9R1.15 COC1=CC=CN=C1Br ACI-01447 [1,0,1,0,0,0|2,0,0]=4 49 B9R1.15 NCC1=CC=CC=C1O ACI-02209 [1,0,1,0,0,0|1,0,1]=4 50 B11R1.17 CC1=CC=CC=C1\C=C\CO ACI-05925 [0,1,1,0,0,0|1,0,0]=3 51 B11R1.17 OC\C=C\C1=CC=CC=C1F ACI-05926 [0,1,1,0,0,0|1,0,0]=3 52 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 ACI-05057 [0,1,1,0,0,0|1,0,1]=4 53 B11R1.222 CCC(=O)C1=CC=CC=C1Br ACI-04019 [0,1,1,0,0,0|1,0,1]=4 54 B11R1.222 CCC(=O)C1=CC=CC=C1Cl ACI-04018 [0,1,1,0,0,0|1,0,1]=4 55 B11R1.222 COC(=O)C1=CC=CN=C1O JM-04F-050 [0,1,1,0,0,0|2,0,0]=4 56 B11R1.40 N\C(CC1=CC=CC=C1)=N/O ACI-00152 [0,1,1,0,0,0|1,0,1]=4 57 B11R1.40 O=C(CBr)NC1=CC=CC=C1 ACI-01811 [0,1,1,0,0,0|1,0,1]=4 58 B11R1.40 O=C(CCl)NC1=CC=CC=C1 ACI-05777 [0,1,1,0,0,0|1,0,1]=4 59 B11R2.1 BrC1=C2C=CC=CN2N=C1 ACI-04684 [1,1,0,0,0,0|2,0,0]=4 60 B11R2.1 BrC1=CSC2=C1C=CC=C2 ACI-00699 [1,1,0,0,0,0|0,1,0]=3 61 B11R2.1 CC1=COC2=C1C=CC=C2 ACI-01521 [1,1,0,0,0,0|0,0,0]=2 62 B11R2.1 CC1=CSC2=C1C=CC=C2 ACI-02476 [1,1,0,0,0,0|0,1,0]=3 63 B11R2.1 NC1=NNC2=C1C=CC=C2 ACI-NI-00387 [1,1,0,0,0,0|2,0,0]=4 64 B11R2.1 OC1=NOC2=C1C=CC=C2 ACI-00380 [1,1,0,0,0,0|1,0,0]=3 65 B11R2.36 FC1=CN2C=CN=C2C=C1 ACI-04229 [1,1,0,0,0,0|2,0,0]=4 66 B11R2.36 NC1=CC2=C(C=C1)OC=C2 ACI-05788 [1,1,0,0,0,0|0,0,0]=2 67 B11R2.36 NC1=CC2=C(C=C1)SC=N2 ACI-00493 [1,1,0,0,0,0|1,1,0]=4 68 B11R2.36 OC1=CC2=C(C=C1)OC=C2 ACI-05787 [1,1,0,0,0,0|0,0,0]=2 69 B11R2.106 BrC1=C2OCCC2=CC=C1 ACI-NI-00707 [1,1,0,0,0,0|0,0,2]=4 70 B11R2.106 BrC1=C2SC=CC2=CC=C1 WS-05J-007 [1,1,0,0,0,0|0,1,0]=3 71 B11R2.106 BrC1=CC=CC2=C1N=CN2 ACI-01524 [1,1,0,0,0,0|2,0,0]=4 72 B11R2.106 BrC1=CC=CC2=C1OC=C2 ACI-02292 [1,1,0,0,0,0|0,0,0]=2 73 B11R2.106 ClC1=C2C=CNC2=NC=C1 JM-05F-099 [1,1,0,0,0,0|2,0,0]=4 74 B11R2.106 NC1=CC=CC2=C1C=CO2 ACI-05785 [1,1,0,0,0,0|0,0,0]=2 75 B11R2.106 NC1=CC=CC2=C1N=CS2 ACI-00632 [1,1,0,0,0,0|1,1,0]=4 76 B11R2.106 NC1=CC=CC2=C1SC=N2 FD-09B-001 [1,1,0,0,0,0|1,1,0]=4 77 B11R2.106 OC1=CC=CC2=C1C=CO2 ACI-05784 [1,1,0,0,0,0|0,0,0]=2 78 B11R2.15 OCC1=CC2=C(C=CS2)S1 ACI-02014 [0,1,0,0,1,0|1,1,0]=4 79 B13R2.32 CN1C(=O)COC2=CC=CC=C21 ACI-02214 [0,1,0,0,0,1|2,0,0]=4 80 B13R2.32 CN1C(=O)OCC2=CC=CC=C21 ACI-02207 [0,1,0,0,0,1|2,0,0]=4 81 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 ACI-03793 [0,1,0,0,0,1|1,0,0]=3 82 B13R2.57 N#CC1=CC2=CC=CC=C2OC1 ACI-01777 [0,1,0,0,0,1|0,0,1]=3 83 B13R2.57 N#CC1=NC2=CC=CC=C2C=C1 ACI-05181 [0,1,0,0,0,1|1,0,1]=4 84 B13R2.57 NCC1COC2=CC=CC=C2O1 ACI-00652 [0,1,0,0,0,1|0,0,2]=4 85 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 SB-05K-001 [0,1,0,0,0,1|1,0,1]=4 86 B13R2.57 OCC1=CC2=CC=CC=C2OC1 ACI-01778 [0,1,0,0,0,1|0,0,0]=2 87 B13R2.57 OCC1=CC2=CC=CN=C2C=C1 ACI-05342 [0,1,0,0,0,1|2,0,0]=4 88 B13R2.57 OCC1CNC2=CC=CC=C2O1 ACI-00554 [0,1,0,0,0,1|0,0,2]=4 89 B13R2.57 OCC1COC2=CC=CC=C2O1 ACI-01639 [0,1,0,0,0,1|0,0,2]=4 90 B13R2.155 NC1=CC=C2C=CC(=O)NC2=C1 FD-11C-001 [0,1,0,0,0,1|2,0,0]=4 91 B13R2.155 NC1=NC=C2C=CC(Br)=CC2=N1 ACI-05242 [0,1,0,0,0,1|2,0,0]=4 92 B13R2.155 NC1=NC=C2C=CC(Cl)=CC2=N1 ACI-05241 [0,1,0,0,0,1|2,0,0]=4 93 B13R2.155 NC1=NC=C2C=CC(F)=CC2=N1 ACI-05240 [0,1,0,0,0,1|2,0,0]=4 94 B13R2.155 O=C1COC2=CC=C(O)C=C2N1 JM-08B-002 [0,1,0,0,0,1|2,0,0]=4 95 B13R2.162 NC1=NC=C2C=CC=C(F)C2=N1 ACI-05243 [0,1,0,0,0,1|2,0,0]=4 96 B13R2.222 CC1(C)NC2=CC=CC=C2CO1 SB-03H-004 [0,1,0,0,0,1|1,0,1]=4 97 B13R2.328 CC1=CC(Cl)=C2C=CC=CC2=N1 ACI-01333 [0,1,0,0,0,1|1,0,0]=3 98 B13R2.328 CN1CC(=O)OC2=CC=CC=C21 ACI-02217 [0,1,0,0,0,1|1,0,1]=4 99 B13R2.328 ClC1=CC(Cl)=C2C=CC=CC2=N1 ACI-00807 [0,1,0,0,0,1|2,0,0]=4 100 B13R2.369 CC1=C(Cl)N=C2C=CC=CC2=N1 ACI-01109 [0,1,0,0,0,1|1,0,0]=3 101 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O ACI-01114 [0,1,0,0,0,1|1,0,1]=4 102 B13R2.369 CN1CC2=CC=CC=C2OC1=O ACI-02212 [0,1,0,0,0,1|1,0,1]=4 103 B13R2.369 ClC1=C(Cl)N=C2C=CC=CC2=N1 ACI-01331 [0,1,0,0,0,1|2,0,0]=4 104 B13R2.369 OC1=C(O)N=C2C=CC=CC2=N1 ACI-01325 [0,1,0,0,0,1|2,0,0]=4 105 B13R2.3683 BrC1=CC2=CC=C(I)C=C2N=C1 ACI-06631 [0,1,0,0,0,1|2,0,0]=4 106 B13R2.3683 NC1=CC=C2C=C(Br)C=NC2=C1 ACI-06630 [0,1,0,0,0,1|2,0,0]=4 107 B13R2.3683 NC1=NC=C2C=C(Br)C=CC2=N1 ACI-05238 [0,1,0,0,0,1|2,0,0]=4 108 B13R2.5179 NC1=NC=C2C(Cl)=CC=CC2=N1 ACI-05234 [0,1,0,0,0,1|2,0,0]=4 109 B13R2.5179 NC1=NC=C2C(F)=CC=CC2=N1 ACI-05236 [0,1,0,0,0,1|2,0,0]=4 110 B13R2.45 CC1=C(C=O)SC2=C1C=CC=C2 ACI-00806 [0,2,0,0,0,0|0,1,1]=4 111 B13R2.45 CCC1=C(Br)C2=C(C=CC=C2)O1 ACI-00892 [0,2,0,0,0,0|0,0,0]=2 112 B13R2.45 CN1C(CCl)=NC2=C1C=CC=C2 ACI-00931 [0,2,0,0,0,0|2,0,0]=4 113 B13R2.45 CN1C(CO)=NC2=C1C=CC=C2 ACI-00932 [0,2,0,0,0,0|2,0,0]=4 114 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)S1 ACI-00953 [0,2,0,0,0,0|0,1,0]=3 115 B13R2.135 O=CC1=C(S)NC2=C1C=CC=C2 ACI-00936 [0,2,0,0,0,0|2,0,0]=4 116 B13R2.26 N#CCC1=CC2=CC=CC=C2O1 RH-10K-002 [0,2,0,0,0,0|0,0,0]=2 117 B13R2.26 NCCC1=NC2=C(C=CC=C2)N1 ACI-NI-00030 [0,2,0,0,0,0|2,0,0]=4 118 B13R2.43 BrCC1=CC2=C(C=C(Br)C=C2)S1 ACI-02486 [0,2,0,0,0,0|0,1,0]=3 119 B13R2.43 BrCC1=CC2=CC(Br)=CC=C2S1 ACI-02509 [0,2,0,0,0,0|0,1,0]=3 120 B13R2.43 CC1=CC2=C(C=C1)SC(C=O)=C2 ACI-02137 [0,2,0,0,0,0|0,1,1]=4 121 B13R2.43 CC1=CC2=C(C=C1)SC(CO)=C2 ACI-02138 [0,2,0,0,0,0|0,1,0]=3 122 B13R2.43 CC1=CC2=NC(CO)=CN2C=C1 ACI-04818 [0,2,0,0,0,0|2,0,0]=4 123 B13R2.43 CC1=CC=C2OC(C#N)=CC2=C1 ACI-04991 [0,2,0,0,0,0|0,0,1]=3 124 B13R2.43 CC1=CC=C2SC(CBr)=CC2=C1 ACI-02514 [0,2,0,0,0,0|0,1,0]=3 125 B13R2.43 CC1=CN2C=C(CO)N=C2C=C1 ACI-04817 [0,2,0,0,0,0|2,0,0]=4 126 B13R2.43 ClCC1=CC2=CC(Br)=CC=C2S1 ACI-01632 [0,2,0,0,0,0|0,1,0]=3 127 B13R2.43 ClCC1=NC2=C(C=CC(Br)=C2)N1 ACI-NI-00446 [0,2,0,0,0,0|2,0,0]=4 128 B13R2.43 ClCC1=NC2=CC(Br)=CC=C2O1 ACI-00810 [0,2,0,0,0,0|1,0,0]=3 129 B13R2.43 FC1=CC2=C(C=C1)N=C(CCl)N2 ACI-NI-00444 [0,2,0,0,0,0|2,0,0]=4 130 B13R2.43 FC1=CC=C2C=C(CBr)SC2=C1 ACI-02512 [0,2,0,0,0,0|0,1,0]=3 131 B13R2.43 NCC1=CC2=CC(Br)=CC=C2O1 ACI-04706 [0,2,0,0,0,0|0,0,0]=2 132 B13R2.43 O=CC1=CC2=C(C=C(Br)C=C2)S1 ACI-01068 [0,2,0,0,0,0|0,1,1]=4 133 B13R2.43 O=CC1=CC2=C(C=C(F)C=C2)S1 ACI-02135 [0,2,0,0,0,0|0,1,1]=4 134 B13R2.43 O=CC1=CC2=C(C=CC(Br)=C2)S1 ACI-01072 [0,2,0,0,0,0|0,1,1]=4 135 B13R2.43 OCC1=CC2=C(C=C(Br)C=C2)S1 ACI-01067 [0,2,0,0,0,0|0,1,0]=3 136 B13R2.43 OCC1=CC2=C(C=C(F)C=C2)S1 ACI-02136 [0,2,0,0,0,0|0,1,0]=3 137 B13R2.43 OCC1=CC2=C(C=CC(Br)=C2)S1 ACI-01071 [0,2,0,0,0,0|0,1,0]=3 138 B13R2.43 OCC1=CC2=CC(Br)=CC=C2O1 ACI-04707 [0,2,0,0,0,0|0,0,0]=2 139 B13R2.43 OCC1=CN2C=C(Cl)C=CC2=N1 ACI-04797 [0,2,0,0,0,0|2,0,0]=4 140 B13R2.43 OCC1=CN2C=C(F)C=CC2=N1 ACI-04819 [0,2,0,0,0,0|2,0,0]=4 141 B13R2.43 OCC1=CN2C=CC(Cl)=CC2=N1 ACI-04816 [0,2,0,0,0,0|2,0,0]=4 142 B13R2.43 OCC1=CN2C=CC(F)=CC2=N1 ACI-04806 [0,2,0,0,0,0|2,0,0]=4 143 B13R2.54 BrCC1=CC2=CC=CC(Br)=C2S1 ACI-02515 [0,2,0,0,0,0|0,1,0]=3 144 B13R2.54 CCC1=NC2=C(C=CC=C2N)O1 ACI-04842 [0,2,0,0,0,0|1,0,0]=3 145 B13R2.54 ClC1=C2SC(CBr)=CC2=CC=C1 ACI-02518 [0,2,0,0,0,0|0,1,0]=3 146 B13R2.54 ClC1=CC=CC2=C1C=C(CBr)S2 RH-08J-002 [0,2,0,0,0,0|0,1,0]=3 147 B13R2.54 FC1=C2SC(CBr)=CC2=CC=C1 ACI-02516 [0,2,0,0,0,0|0,1,0]=3 148 B13R2.54 O=CC1=CC2=C(C=CC=C2Cl)S1 ACI-01080 [0,2,0,0,0,0|0,1,1]=4 149 B13R2.54 O=CC1=CC2=C(S1)C(Br)=CC=C2 ACI-02139 [0,2,0,0,0,0|0,1,1]=4 150 B13R2.54 O=CC1=CC2=C(S1)C(Cl)=CC=C2 ACI-02145 [0,2,0,0,0,0|0,1,1]=4 151 B13R2.54 O=CC1=CC2=C(S1)C(F)=CC=C2 ACI-02141 [0,2,0,0,0,0|0,1,1]=4 152 B13R2.54 OCC1=CC2=C(C=CC=C2Cl)S1 ACI-01079 [0,2,0,0,0,0|0,1,0]=3 153 B13R2.54 OCC1=CC2=C(S1)C(Br)=CC=C2 ACI-02140 [0,2,0,0,0,0|0,1,0]=3 154 B13R2.54 OCC1=CC2=C(S1)C(Cl)=CC=C2 ACI-02146 [0,2,0,0,0,0|0,1,0]=3 155 B13R2.54 OCC1=CC2=C(S1)C(F)=CC=C2 ACI-02142 [0,2,0,0,0,0|0,1,0]=3 156 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 ACI-01505 [0,2,0,0,0,0|0,1,0]=3 157 B13R2.435 N=C(N)C1=CC2=C(C=CC=C2)O1 ACI-01520 [0,2,0,0,0,0|0,0,1]=3 158 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 ACI-00957 [0,2,0,0,0,0|0,1,1]=4 159 B13R2.581 COC1=C2NC(C)=CC2=CC=N1 ACI-05598 [0,2,0,0,0,0|2,0,0]=4 160 B11R2.20 C1=CC=C2OCCNC2=C1 ACI-00558 [0,0,1,1,0,0|1,0,1]=4 161 B11R1.91 CC(=O)COC1=CC=CC=C1 ACI-01577 [0,0,1,0,0,1|1,0,0]=3 162 B11R1.91 N=C(N)COC1=CC=CC=C1 ACI-05139 [0,0,1,0,0,1|2,0,0]=4 163 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 ACI-01372 [0,0,1,0,0,1|2,0,0]=4