0 B11R2.20 C1=CC=C2N=CC=CC2=C1 D95380 [0,0,0,0,0,0|2,0,0]=2 1 B11R2.20 C1=CC=C2N=CC=CC2=C1 H10805 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 SC1104 [0,1,0,0,0,0|2,0,1]=4 3 B12R2.24 CC1=CC2=CC=CC=C2C=N1 63496 [0,1,0,0,0,0|0,0,2]=3 4 B12R2.24 CC1=CC=C2N=CC=CC2=C1 20449 [0,1,0,0,0,0|2,0,0]=3 5 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 Y10693 [0,1,0,0,0,0|2,0,1]=4 6 B12R2.24 NC1=CC2=C(C=C1)CCCC2 AB10169 [0,1,0,0,0,0|1,0,2]=4 7 B12R2.24 NC1=NC2=CC=CC=C2N=N1 D78676 [0,1,0,0,0,0|2,0,1]=4 8 B12R2.24 OC1=CC2=C(C=C1)CCNC2 O10335 [0,1,0,0,0,0|0,0,2]=3 9 B12R2.24 OC1=NC2=CC=CC=C2N=C1 P50007 [0,1,0,0,0,0|3,0,0]=4 10 B12R2.1081 CC1=CC=NC2=CC=CC=C12 H10212 [0,1,0,0,0,0|2,0,0]=3 11 B12R2.1081 ClC1=CC=CC2=CC=CC=C12 D89503 [0,1,0,0,0,0|1,0,1]=3 12 B12R2.1081 FC1=C2CNCCC2=CC=C1 33396 [0,1,0,0,0,0|0,0,2]=3 13 B12R2.1081 NC1=C2N=CC=NC2=CC=C1 81317 [0,1,0,0,0,0|3,0,0]=4 14 B12R2.1081 NC1=CC=CC2=C1CCNC2 AB10120 [0,1,0,0,0,0|0,0,2]=3 15 B12R2.1081 NC1=CN=CC2=CC=CC=C12 F14134 [0,1,0,0,0,0|0,0,2]=3 16 B12R2.1081 O=C1NC=NC2=C1C=CC=N2 37327 [0,1,0,0,0,0|2,0,1]=4 17 B12R2.1081 OC1=C2CC=CCC2=CC=C1 C15471 [0,1,0,0,0,0|1,0,1]=3 18 B12R2.1081 S=C1NC=NC2=C1C=CC=C2 D74560 [0,1,0,0,0,0|1,0,1]=3 19 B12R2.1081 S=C1NN=CC2=C1C=CC=C2 D74985 [0,1,0,0,0,0|1,0,1]=3 20 B12R2.1081 [O-]C1=CC=CC2=CC=CN=C12 74357 [0,1,0,0,0,0|2,0,0]=3 21 B12R2.1081 [O-]C1=CC=CC2=CC=CN=C12 D88841 [0,1,0,0,0,0|2,0,0]=3 22 B12R2.1081 [O-][N+]1=CC=NC2=CC=CC=C21 D95404 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.4 C=CCC1=C(C)C=CC=C1 D97323 [0,0,1,0,0,0|1,0,1]=3 24 B10R1.4 C=CCC1=C(N)C=CC=C1 D88543 [0,0,1,0,0,0|2,0,0]=3 25 B10R1.4 CC1=C(N=NN)C=CC=C1 D88287 [0,0,1,0,0,0|2,0,0]=3 26 B10R1.4 CCCC1=C(O)C=CC=C1 D86075 [0,0,1,0,0,0|2,0,1]=4 27 B10R1.4 COCC1=C(Br)C=CC=C1 CK2442 [0,0,1,0,0,0|2,0,1]=4 28 B10R1.4 NCCC1=C(N)C=CC=C1 51438 [0,0,1,0,0,0|1,0,2]=4 29 B10R1.4 NOCC1=C(Cl)C=CC=C1 D87707 [0,0,1,0,0,0|2,0,1]=4 30 B10R1.4 N\N=C\C1=C(O)C=CC=C1 F15584 [0,0,1,0,0,0|2,0,0]=3 31 B10R1.4 O=CNC1=C(Br)C=CC=C1 W12508 [0,0,1,0,0,0|3,0,0]=4 32 B10R1.4 OC1=C(CCBr)C=CC=C1 C78317 [0,0,1,0,0,0|3,0,0]=4 33 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 57820 [0,0,1,0,0,0|3,0,0]=4 34 B10R1.17 C=CCCC1=CC=CC=C1 D91916 [0,0,1,0,0,0|1,0,0]=2 35 B10R1.17 CCC#CC1=CC=CC=C1 D91952 [0,0,1,0,0,0|1,0,2]=4 36 B10R1.17 OC\C=C\C1=CN=CC=C1 AC7736 [0,0,1,0,0,0|3,0,0]=4 37 B10R1.17 OC\C=C\C1=NC=CC=C1 31710 [0,0,1,0,0,0|3,0,0]=4 38 B10R1.20 CCC1=C(CC)C=CC=C1 60317 [0,0,1,0,0,0|1,0,2]=4 39 B10R1.20 CCC1=C(OC)C=CC=C1 D90534 [0,0,1,0,0,0|2,0,1]=4 40 B10R2.7 C1=CC2=C(C=C1)OC=C2 D88596 [0,0,0,0,1,0|1,0,0]=2 41 B10R2.7 C1=CC2=C(C=C1)[S+]=CS2 D88761 [0,0,0,0,1,0|2,0,0]=3 42 B10R2.7 C1=CC2=C(C=N1)CNC2 C15858 [0,0,0,0,1,0|1,0,1]=3 43 B10R2.7 C1=CC2=CNN=C2C=N1 O10791 [0,0,0,0,1,0|2,0,0]=3 44 B10R2.7 C1=CC2=NNC=C2C=N1 F18249 [0,0,0,0,1,0|2,0,0]=3 45 B10R2.7 C1=CN=C2NC=NC2=C1 62602 [0,0,0,0,1,0|2,0,0]=3 46 B10R2.7 C1=NCC2=CC=NC2=N1 O11235 [0,0,0,0,1,0|2,0,1]=4 47 B9R1.8 CSCC1=CC=CC=C1 D88728 [1,0,1,0,0,0|1,0,1]=4 48 B9R1.8 C\C=C/C1=CC=CC=C1 D91456 [1,0,1,0,0,0|0,0,0]=2 49 B9R1.8 C\C=C\C1=CC=CC=C1 H10852 [1,0,1,0,0,0|0,0,0]=2 50 B9R1.15 CC1=C(CCl)C=CC=C1 22011 [1,0,1,0,0,0|1,0,1]=4 51 B9R1.15 CC1=C(CN)C=CN=C1 F30519 [1,0,1,0,0,0|1,0,1]=4 52 B9R1.15 CC1=C(CS)C=CC=C1 AT13699 [1,0,1,0,0,0|1,0,1]=4 53 B9R1.15 CCC1=C(N)C=CC=C1 CK1167 [1,0,1,0,0,0|0,0,2]=4 54 B9R1.15 CCC1=C([S-])C=CC=C1 D90553 [1,0,1,0,0,0|1,0,1]=4 55 B9R1.15 ClCC1=C(Br)C=CC=C1 H11765 [1,0,1,0,0,0|2,0,0]=4 56 B9R1.15 FC1=C(CS)C=CC=C1 AT13683 [1,0,1,0,0,0|2,0,0]=4 57 B9R1.15 NCC1=C(O)C=CC=C1 O10497 [1,0,1,0,0,0|1,0,0]=3 58 B9R1.15 NNC1=C(Br)C=CC=C1 C15043 [1,0,1,0,0,0|2,0,0]=4 59 B9R1.15 NNC1=C(Cl)C=CC=C1 78675 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.17 C=CCOC1=C(C)C=CC=C1 D88409 [0,1,1,0,0,0|1,0,1]=4 61 B11R1.17 O=CCCC1=C(Br)C=CC=C1 29935 [0,1,1,0,0,0|2,0,0]=4 62 B11R1.41 COC1=C(\C=N\O)C=CC=C1 77944 [0,1,1,0,0,0|2,0,0]=4 63 B11R1.81 CNCC1=C(C)C=C(C)C=C1 C78452 [0,1,1,0,0,0|0,0,2]=4 64 B11R1.81 CNCC1=C(F)C=C(Br)C=C1 N11594 [0,1,1,0,0,0|1,0,1]=4 65 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 N12425 [0,1,1,0,0,0|1,0,1]=4 66 B11R1.86 CN(C)CC1=C(F)C=CC=C1 L10043 [0,1,1,0,0,0|1,0,1]=4 67 B11R1.86 CN(C)CC1=C(N)C=CC=C1 F18327 [0,1,1,0,0,0|1,0,1]=4 68 B11R1.86 CN(C)CC1=C([Pd+2])C=CC=C1 D90232 [0,1,1,0,0,0|1,0,1]=4 69 B11R1.86 N=C(N)NC1=C(F)C=CC=C1 25412 [0,1,1,0,0,0|2,0,0]=4 70 B11R1.86 NC(=O)CC1=C(N)C=CC=C1 D78598 [0,1,1,0,0,0|1,0,1]=4 71 B11R1.86 NC(=O)NC1=C(Br)C=CC=C1 H11652 [0,1,1,0,0,0|2,0,0]=4 72 B11R1.182 NNCC1=C(F)C=CC(F)=C1 D87553 [0,1,1,0,0,0|2,0,0]=4 73 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 N12587 [0,1,1,0,0,0|1,0,1]=4 74 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 N12344 [0,1,1,0,0,0|1,0,1]=4 75 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 C77949 [0,1,1,0,0,0|1,0,1]=4 76 B11R1.222 NCC(=O)C1=C(O)C=CC=C1 C78267 [0,1,1,0,0,0|1,0,1]=4 77 B11R1.1 C=CCOC1=CC=C(C)C=C1 H10881 [0,1,1,0,0,0|2,0,0]=4 78 B11R1.1 CNCCC1=CC=C(Cl)C=C1 29906 [0,1,1,0,0,0|0,0,2]=4 79 B11R1.1 CNCCC1=CC=C(F)C=C1 C15824 [0,1,1,0,0,0|0,0,2]=4 80 B11R1.1 CN\N=N\C1=CC=C(C)C=C1 A12264 [0,1,1,0,0,0|2,0,0]=4 81 B11R1.16 CNOC(=O)C1=CC=CC=C1 T70697 [0,1,1,0,0,0|1,0,0]=3 82 B11R1.24 C=CCOC1=CC(N)=CC=C1 N12360 [0,1,1,0,0,0|2,0,0]=4 83 B11R1.24 CNCCC1=CC(C)=CC=C1 C77877 [0,1,1,0,0,0|0,0,2]=4 84 B11R1.28 CNCCOC1=CC=CC=C1 H11358 [0,1,1,0,0,0|0,0,2]=4 85 B11R1.40 CCN(C)CC1=CC=CC=C1 AB10334 [0,1,1,0,0,0|0,0,2]=4 86 B11R1.40 O=CC(Cl)=CC1=CC=CC=C1 D94582 [0,1,1,0,0,0|2,0,0]=4 87 B11R1.91 C=C(C)OCC1=CC=CC=C1 T70780 [0,1,1,0,0,0|1,0,0]=3 88 B11R1.91 CC(C)=NCC1=CC=CC=C1 92550 [0,1,1,0,0,0|0,0,2]=4 89 B11R1.91 CN(C)CCC1=CC=CC=C1 F12472 [0,1,1,0,0,0|0,0,2]=4 90 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 H10800 [0,1,1,0,0,0|2,0,0]=4 91 B11R1.53 O=C(O)C1=C(CBr)C=CC=C1 FD17072 [0,1,1,0,0,0|2,0,0]=4 92 B11R1.265 COC1=C(F)C=CC=C1CN N12507 [0,1,1,0,0,0|1,0,1]=4 93 B11R2.1 BrC1=COC2=CC=CN=C12 F52702 [0,1,0,0,1,0|2,0,0]=4 94 B11R2.1 CC1=CN=C2C=CC=CN12 54404 [0,1,0,0,1,0|1,0,1]=4 95 B11R2.1 ClC1=NNC2=C1C=CC=C2 H11368 [0,1,0,0,1,0|1,0,0]=3 96 B11R2.1 ClC1=NSC2=C1C=CC=C2 AT19018 [0,1,0,0,1,0|1,0,1]=4 97 B11R2.1 NN1CCC2=C1C=CC=C2 AC7277 [0,1,0,0,1,0|0,0,2]=4 98 B11R2.1 N[C@H]1COC2=C1C=CC=C2 N10935 [0,1,0,0,1,0|1,0,1]=4 99 B11R2.1 O=C1NN=C2C=CC=CN12 F14880 [0,1,0,0,1,0|2,0,0]=4 100 B11R2.1 SC1=CNC2=C1C=CC=C2 H10966 [0,1,0,0,1,0|0,0,0]=2 101 B11R2.10 NC1CC2=C(C=CC=C2)C1 75403 [0,1,0,0,1,0|0,0,2]=4 102 B11R2.36 BrC1=CC2=C(C=C1)NCC2 F13820 [0,1,0,0,1,0|0,0,2]=4 103 B11R2.36 BrC1=CC2=C(C=C1)NN=N2 96158 [0,1,0,0,1,0|2,0,0]=4 104 B11R2.36 CC1=CC2=C(C=C1)N=CS2 W17075 [0,1,0,0,1,0|1,0,1]=4 105 B11R2.36 CC1=CC2=C(C=C1)OC=C2 AC2085 [0,1,0,0,1,0|1,0,0]=3 106 B11R2.36 CC1=CC2=C(C=C1)ON=C2 D78569 [0,1,0,0,1,0|1,0,1]=4 107 B11R2.36 ClC1=CC2=C(C=C1)N=CN2 71658 [0,1,0,0,1,0|1,0,0]=3 108 B11R2.36 ClC1=CC2=C(C=CS2)C=C1 78113 [0,1,0,0,1,0|1,0,0]=3 109 B11R2.36 IC1=CC2=NNN=C2C=C1 D78594 [0,1,0,0,1,0|2,0,0]=4 110 B11R2.36 IC1=NC=C2NN=CC2=C1 80141 [0,1,0,0,1,0|2,0,0]=4 111 B11R2.36 NC1=CC2=C(C=C1)N=CN2 F11742 [0,1,0,0,1,0|1,0,0]=3 112 B11R2.36 NC1=CC2=C(C=C1)N=NN2 D81725 [0,1,0,0,1,0|2,0,0]=4 113 B11R2.36 NC1=CC2=C(C=C1)SC=C2 AC7464 [0,1,0,0,1,0|1,0,0]=3 114 B11R2.36 O=C1C=CC2=CNNC2=C1 29235 [0,1,0,0,1,0|1,0,0]=3 115 B11R2.36 OC1=CC2=C(C=C1)NCC2 F19200 [0,1,0,0,1,0|0,0,2]=4 116 B11R2.106 BrC1=C2N=CNC2=CN=C1 P12260 [0,1,0,0,1,0|2,0,0]=4 117 B11R2.106 CC1=C2NCCC2=CC=C1 O11660 [0,1,0,0,1,0|0,0,2]=4 118 B11R2.106 CC1=CC=CC2=C1N=CS2 F18224 [0,1,0,0,1,0|1,0,1]=4 119 B11R2.106 CC1=CC=CC2=NC=CN12 76316 [0,1,0,0,1,0|1,0,1]=4 120 B11R2.106 ClC1=CC=CC2=NC=CN12 25523 [0,1,0,0,1,0|1,0,1]=4 121 B11R2.106 FC1=C2CCNC2=CC=C1 33886 [0,1,0,0,1,0|0,0,2]=4 122 B11R2.106 FC1=C2CNCC2=CC=C1 F14710 [0,1,0,0,1,0|0,0,1]=3 123 B11R2.106 O=C1N=CNC2=C1C=CN2 AB2819 [0,1,0,0,1,0|2,0,0]=4 124 B11R2.106 O=C1NC=NC2=C1NC=C2 D87033 [0,1,0,0,1,0|2,0,0]=4 125 B11R2.106 OC1=NC=NC2=C1C=CN2 85253 [0,1,0,0,1,0|2,0,0]=4 126 B11R2.106 OC1=NC=NC2=C1NC=C2 83187 [0,1,0,0,1,0|2,0,0]=4 127 B13R2.4820 ClC1=C2NCCNCC2=CC=C1 57706 [0,1,0,0,0,1|0,0,2]=4 128 B13R2.5252 O=C1CCCSC2=C1C=CC=C2 D85489 [0,1,0,0,0,1|1,0,1]=4 129 B13R2.32 CC1=C(C)C2=CC=CC=C2C=C1 D89712 [0,2,0,0,0,0|1,0,1]=4 130 B13R2.32 CC1=C(N)C2=CC=CC=C2C=C1 D88419 [0,2,0,0,0,0|1,0,1]=4 131 B13R2.32 ClC1=C(Cl)C2=CC=CC=C2N=C1 C15430 [0,2,0,0,0,0|2,0,0]=4 132 B13R2.32 FC1=C(Br)C=CC2=CC=CC=C21 78739 [0,2,0,0,0,0|1,0,1]=4 133 B13R2.32 FC1=C(Br)C=CC2=CC=CN=C21 AT25793 [0,2,0,0,0,0|2,0,0]=4 134 B13R2.32 NC1=C(I)C2=CC=CC=C2N=N1 97978 [0,2,0,0,0,0|1,0,1]=4 135 B13R2.32 O=C1C(Br)=NNC2=C1C=CC=C2 AT18183 [0,2,0,0,0,0|1,0,1]=4 136 B13R2.32 O=C1C(I)=COC2=C1C=CC=C2 C91063 [0,2,0,0,0,0|2,0,0]=4 137 B13R2.32 O=C1C=CC2=C(C=CC=C2)C1=O F30116 [0,2,0,0,0,0|1,0,1]=4 138 B13R2.155 [O-][N+]1=CC=C2C=CC(Br)=CC2=C1 F31382 [0,2,0,0,0,0|0,0,2]=4 139 B13R2.162 CC1=CC2=C(N)C=CC=C2N=N1 CS1104 [0,2,0,0,0,0|1,0,1]=4 140 B13R2.162 O=C1NC=NC2=C1C=C(F)C=C2 32964 [0,2,0,0,0,0|1,0,1]=4 141 B13R2.162 O=C1NC=NC2=C1C=C(I)C=C2 P10122 [0,2,0,0,0,0|1,0,1]=4 142 B13R2.162 O=C1NC=NC2=C1C=C(O)C=C2 82361 [0,2,0,0,0,0|1,0,1]=4 143 B13R2.162 OC1=C2C=C(Br)C=CC2=CC=N1 BL001896 [0,2,0,0,0,0|0,0,2]=4 144 B13R2.162 OC1=NC2=C(O)C=CC=C2C=C1 65650 [0,2,0,0,0,0|2,0,0]=4 145 B13R2.328 CC1=CC(C)=C2N=CC=CC2=C1 D74941 [0,2,0,0,0,0|2,0,0]=4 146 B13R2.328 O=C1C=C(O)NC2=C1C=CC=C2 O10804 [0,2,0,0,0,0|2,0,0]=4 147 B13R2.328 O=C1NC(=S)NC2=C1C=CC=C2 AT22486 [0,2,0,0,0,0|1,0,1]=4 148 B13R2.328 [O-]C1=CC(O)=NC2=CC=CC=C12 D89686 [0,2,0,0,0,0|2,0,0]=4 149 B13R2.328 [O-][N+]1=CC(Br)=CC2=CC=CC=C21 78439 [0,2,0,0,0,0|2,0,0]=4 150 B13R2.369 CC1=CC2=CC=CC=C2N=C1N 71190 [0,2,0,0,0,0|2,0,0]=4 151 B13R2.369 ClC1=CC2=CC=CN=C2C=C1Cl 84458 [0,2,0,0,0,0|2,0,0]=4 152 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Cl D89502 [0,2,0,0,0,0|2,0,0]=4 153 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1O T73087 [0,2,0,0,0,0|2,0,0]=4 154 B13R2.369 OC1=C(O)C=C2CCN=CC2=C1 R10049 [0,2,0,0,0,0|2,0,0]=4 155 B13R2.3683 CC1=CC=C2N=C(Br)C=CC2=C1 33556 [0,2,0,0,0,0|2,0,0]=4 156 B13R2.3683 NC1=CC2=C(C=C1)OC(=O)CC2 D78716 [0,2,0,0,0,0|2,0,0]=4 157 B13R2.5179 ClC1=CC=C2C(I)=CC=NC2=C1 AT14803 [0,2,0,0,0,0|2,0,0]=4 158 B13R2.5179 NC1=C2C=CC(O)=CC2=CC=C1 A51116 [0,2,0,0,0,0|1,0,1]=4 159 B13R2.342 CC1=CC=CC2=C1C=CNC2=O 26570 [0,2,0,0,0,0|0,0,1]=3 160 B13R2.342 O=C1C=CNC2=C(Br)C=CC=C12 F10438 [0,2,0,0,0,0|2,0,0]=4 161 B13R2.342 O=C1C=CNC2=C(F)C=CC=C12 O11675 [0,2,0,0,0,0|2,0,0]=4 162 B13R2.342 OC1=C2C=CC=C(Cl)C2=NC=C1 F19997 [0,2,0,0,0,0|2,0,0]=4 163 B13R2.342 OC1=CC=CC2=C(O)C=CN=C12 75991 [0,2,0,0,0,0|2,0,0]=4 164 B13R2.371 CC1=CC=C(F)C2=CC=CN=C12 F13837 [0,2,0,0,0,0|2,0,0]=4 165 B13R2.371 NC1=CC=C(O)C2=CC=CC=C12 C15486 [0,2,0,0,0,0|1,0,1]=4 166 B13R2.371 NC1=CC=C(O)C2=NC=CC=C12 F16215 [0,2,0,0,0,0|2,0,0]=4 167 B13R2.371 OC1=NC=C(Br)C2=CC=CC=C21 82886 [0,2,0,0,0,0|0,0,2]=4 168 B13R2.1613 CNC1=CC=CC2=CC=CC=C21 D91455 [0,2,0,0,0,0|1,0,1]=4 169 B13R2.1613 NCC1=C2C=CC=NC2=CC=C1 24143 [0,2,0,0,0,0|2,0,0]=4 170 B13R2.1613 NCC1=CN=CC2=CC=CC=C21 D82919 [0,2,0,0,0,0|0,0,2]=4 171 B13R2.1613 NNC1=C2N=CC=CC2=CC=C1 C16674 [0,2,0,0,0,0|2,0,0]=4 172 B13R2.1613 SCC1=CC=CC2=CC=CC=C21 C80040 [0,2,0,0,0,0|1,0,1]=4 173 B13R2.4818 IC1=CC=CC2=CC=CC(I)=C12 AT25680 [0,2,0,0,0,0|1,0,1]=4 174 B13R2.4818 NC1=C2C(=CC=C1)C=CC=[N+]2[O-] T71462 [0,2,0,0,0,0|2,0,0]=4 175 B13R2.4818 O=C1NC=NC2=CC=CC(Cl)=C12 29751 [0,2,0,0,0,0|1,0,1]=4 176 B9R2.50 C1=CC2=C(C=C1)CC2 F15000 [0,0,0,0,2,0|0,0,1]=3