0 B10R1.4 C#CCN1C=CC=CC1=O AT19221 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.4 CC1=C(CC=O)C=CC=C1 W16821 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.4 CC1=C(CON)C=CC=C1 D77271 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.4 CC1=CC=CN=C1CC#N C90297 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.4 CCCC1=CN=CN=C1Cl F11792 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.4 CCNC1=C(F)C=CC=C1 D87863 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.4 CCNC1=CC=CN=C1O F30124 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.4 CCNC1=NC=CC=C1N AC7989 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.4 CCOC1=C(C)C=CN=C1 AC4346 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.4 CCOC1=C(F)C=CC=N1 F53248 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.4 CCOC1=CC=CN=C1Cl W17868 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.4 CCSC1=C(Br)C=CC=C1 AT20838 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.4 CCSC1=C(O)C=CC=C1 AT20889 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.4 CNCC1=C(F)C=CC=N1 P10655 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.4 CNCC1=C(F)C=CC=N1 P20450 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.4 CNCC1=C(N)C=CC=C1 F13330 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.4 N#CCC1=C(Br)C=NC=C1 C72683 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.4 N#CCN1C=CC=CC1=O AT19223 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.4 NC1=C(CCF)C=NC=C1 P14647 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.4 NCCN1C=CC=CC1=O F15207 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.4 NCCN1C=CC=NC1=O AT13871 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.4 NCCN1C=NC=CC1=O AT13878 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.4 NNCC1=C(Cl)C=CC=C1 W12211 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.4 O=C1C=CC=CN1CCBr AT19229 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.4 O=C1C=CN=CN1CCO AT13876 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.4 O=CCC1=C(Cl)C=CC=C1 W16822 [0,0,0,0,0,0|2,0,1]=3 27 B9R1.8 BrCCC1=CN=CC=C1 C77647 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.8 C#C[I+]C1=CC=CC=C1 T71678 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.8 CCCC1=CC=CN=C1 O11051 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.8 CNNC1=CC=CC=C1 C77159 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.8 FCCC1=CC=CC=C1 75534 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.8 IC#CC1=CC=CC=C1 N11813 [1,0,0,0,0,0|1,0,2]=4 34 B9R1.8 NCCC1=CC=CC=C1 T71816 [1,0,0,0,0,0|0,0,0]=1 35 B9R1.8 NCCC1=CC=CC=C1 T72591 [1,0,0,0,0,0|0,0,0]=1 36 B9R1.8 NCCC1=NC=CC=N1 83201 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.8 NCCC1=NC=CC=N1 P10852 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 NCCC1=NC=CN=C1 AT22557 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.8 NCCC1=NC=NC=C1 P10950 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 NNCC1=NC=CC=C1 P10521 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 NNCC1=NC=CN=C1 D78817 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.8 NNCC1=NC=CN=C1 P19174 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.8 OCCC1=CC=NC=C1 T72404 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 OCCC1=NN=CC=C1 D77083 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.8 SCCC1=NC=CC=C1 F18309 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 AC8779 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.8 [C-]#[N+]CC1=CN=CC=C1 F16136 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.15 C#CC1=C(C)C=CN=C1 AT12962 [1,0,0,0,0,0|1,0,2]=4 49 B9R1.15 C#CC1=CC=CN=C1C AT12964 [1,0,0,0,0,0|1,0,2]=4 50 B9R1.15 C#CC1=NC=CC=C1C 79080 [1,0,0,0,0,0|1,0,2]=4 51 B9R1.15 C=CC1=C(C)C=CC=C1 T72704 [1,0,0,0,0,0|0,0,2]=3 52 B9R1.15 C=CC1=C(C)C=CN=C1 P11580 [1,0,0,0,0,0|1,0,2]=4 53 B9R1.15 CC1=C(CBr)C=CC=N1 FD9046 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.15 CC1=C(CBr)C=CC=N1 P11218 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.15 CC1=C(CCl)C=CC=N1 P10970 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.15 CC1=C(CCl)C=NC=C1 P10971 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.15 CC1=C(CO)C=NC=N1 F31023 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.15 CC1=C(NN)N=NC=C1 O11008 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.15 CC1=CC=CN=C1CBr D97530 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.15 CC1=NC=CN=C1CCl P17257 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.15 CC1=NC=CN=C1CN 38702 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.15 CCC1=C(Br)C=CN=C1 H11182 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.15 CCC1=C(N)N=NC=C1 S11451 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.15 CCC1=CC=CN=C1C 75814 [1,0,0,0,0,0|1,0,0]=2 65 B9R1.15 CCC1=CN=CN=C1O C15413 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.15 COC1=C(Br)C=CN=C1 F10479 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.15 COC1=C(C)C=NC=C1 D74380 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.15 ClC1=CC=CN=C1CBr 79180 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.15 ClC1=CC=CN=C1CBr 86640 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.15 ClCC1=CC=CN=C1Br 55187 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.15 FC1=C(CBr)C=CC=N1 AT20654 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.15 N#CC1=C(S)C=CC=C1 AT20892 [1,0,0,0,0,0|1,0,2]=4 73 B9R1.15 NC1=C(CCl)C=CC=N1 89794 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.15 NCC1=C(Br)C=NC=C1 98160 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.15 NCC1=C(Cl)C=CN=C1 C11073 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.15 NCC1=C(F)C=CN=C1 C90218 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.15 NCC1=C(I)C=CC=C1 AT26620 [1,0,0,0,0,0|1,0,0]=2 78 B9R1.15 NCC1=C(O)C=CC=N1 C73700 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.15 NCC1=C(O)C=CN=C1 AT18117 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.15 NCC1=CC=CN=C1Cl 37571 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.15 NCC1=CC=CN=C1N CL0345 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.15 NCC1=[N+]([O-])C=CC=C1 D86206 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.15 NNC1=C(Br)C=CC=N1 F30216 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.15 NNC1=CC=CN=C1Cl D76828 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.15 OCC1=C(F)C=CN=C1 P11878 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.15 [2H]CC1=C(F)C=CC=C1 D99779 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.15 [C-]#[N+]C1=C(Cl)C=CC=C1 AC9402 [1,0,0,0,0,0|2,0,1]=4 88 B11R1.13 C=CCC1=C(O)C(C)=CC=C1 AC5932 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.13 CC1=C(Cl)C=CC=C1CC#N C90793 [0,1,0,0,0,0|0,0,2]=3 90 B11R1.13 CCOC1=C(C)C(N)=CC=C1 F18648 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.13 CN1C(=O)C=CN=C1CCN AT13879 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.13 ClC1=CC=CC(CCBr)=C1Cl C78633 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.13 N#CCC1=CC=CC(Br)=C1Cl D96283 [0,1,0,0,0,0|1,0,2]=4 94 B11R1.13 N#CCC1=CC=CC(F)=C1Cl 94661 [0,1,0,0,0,0|1,0,2]=4 95 B11R1.13 O=CCC1=CC=CC(F)=C1F 22736 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.13 OCCC1=NC=CC(Cl)=C1Br W11042 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.17 BrCCCC1=C(Br)C=CC=C1 C77748 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.17 C#CCOC1=C(Br)C=CC=C1 AT23367 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.17 C#CCOC1=C(Cl)C=CC=C1 AT23368 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.17 C#CCOC1=C(I)C=CC=C1 AT23373 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.17 C=CCCC1=C(Br)C=NC=C1 S10194 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.17 CC1=CC=CN=C1CCCN W10139 [0,1,0,0,0,0|1,0,0]=2 103 B11R1.17 CCCOC1=C(N)C=CC=C1 AC7746 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.17 CCNCC1=C(Cl)C=CC=C1 C16114 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.17 CNCCC1=C(C)C=CC=C1 C78447 [0,1,0,0,0,0|0,0,0]=1 106 B11R1.17 CNCCC1=C(Cl)C=CC=C1 C78279 [0,1,0,0,0,0|1,0,0]=2 107 B11R1.17 ClC1=C(CCCBr)C=CC=C1 C78298 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.17 N#CCOC1=C(Cl)C=CC=C1 AC7530 [0,1,0,0,0,0|1,0,2]=4 109 B11R1.17 NCCCC1=C(Cl)C=CC=C1 C78000 [0,1,0,0,0,0|1,0,0]=2 110 B11R1.17 NCCCC1=C(F)C=CC=C1 F20045 [0,1,0,0,0,0|1,0,0]=2 111 B11R1.17 NCCCN1C=CC=CC1=O AT19227 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.17 NCCOC1=C(Cl)C=CC=C1 L10067 [0,1,0,0,0,0|1,0,0]=2 113 B11R1.17 O=C1C=CC=CN1CCCO AT19228 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.17 OCC#CC1=C(Br)C=CC=C1 S11832 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.17 OCC#CC1=C(Cl)C=CC=C1 A50678 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.17 OCCCC1=C(O)C=CC=N1 85302 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.41 CCC1=C(CCO)C=CC=C1 C15362 [0,1,0,0,0,0|1,0,0]=2 118 B11R1.41 CCNC1=C(OC)C=CC=N1 76883 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.41 CCSC1=C(C#N)C=CC=C1 AT20895 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.41 COC1=C(CNN)C=CC=C1 P10476 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.41 [N-]=[N+]=NC1=C(CCl)C=CC=C1 W10696 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.81 CC1=NC(C)=C(CC#N)C=C1 93161 [0,1,0,0,0,0|1,0,2]=4 123 B11R1.81 CCCC1=C(O)C=C(C)C=C1 A10895 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.81 CCNC1=C(N)C=C(Br)C=C1 89427 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.81 CCOC1=C(Br)C=C(N)C=C1 N12647 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.81 CCOC1=C(C)C=C(N)C=C1 N12561 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.81 CNCC1=C(Cl)C=C(F)C=C1 76695 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.81 CNCC1=C(F)C=C(F)C=C1 36787 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.81 COCC1=C(Cl)C=C(Br)C=C1 N11614 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.81 N#CCC1=C(I)C=C(Br)C=C1 D85729 [0,1,0,0,0,0|1,0,2]=4 131 B11R1.81 NCCC1=C(Br)C=C(Br)C=C1 P18612 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.81 NCCC1=C(Br)C=C(Cl)C=C1 AC3186 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.81 NCCC1=C(Br)C=C(F)C=C1 AC7044 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.81 NCCC1=C(F)C=C(Br)C=C1 50240 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.81 NCCC1=C(F)C=C(O)C=C1 F51014 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.81 NCCN1C=CC(=O)NC1=O F17292 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.81 NCCN1C=CC(=O)NC1=O F20734 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.81 NNCC1=C(Br)C=C(F)C=C1 AC5368 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 AC4339 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 P10432 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.81 NNCC1=C(Cl)C=C(F)C=C1 A12240 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.81 NNCC1=C(Cl)C=C(F)C=C1 P10526 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.81 NNCC1=C(F)C=C(Br)C=C1 AC5349 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.81 NNCC1=C(F)C=C(F)C=C1 AC5364 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.81 N\N=C/C1=C(F)C=C(Br)C=C1 A50963 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.81 O=C1C=C(Br)C=CN1CCO AT13847 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.81 O=CCC1=C(Cl)C=C(Cl)C=C1 C15524 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.81 OCCC1=C(Br)C=C(Cl)C=C1 D85895 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.81 OCCC1=C(F)C=C(F)C=C1 A50720 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.86 CC(C)NC1=C(Br)C=CC=C1 C77931 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.86 CC(C)NC1=C(Cl)C=CC=C1 C78464 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.86 CC(C)NC1=C(F)C=CC=C1 C77765 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.86 CC(C)NC1=C(S)C=CC=C1 AC8476 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.86 CC1=C(C[C@H](C)N)C=CC=C1 N10867 [0,1,0,0,0,0|0,0,0]=1 155 B11R1.86 C[C@H](N)CC1=C(Br)C=CC=C1 N11144 [0,1,0,0,0,0|1,0,0]=2 156 B11R1.86 C[C@H](N)CC1=C(Cl)C=CC=C1 N11063 [0,1,0,0,0,0|1,0,0]=2 157 B11R1.86 C[C@H](O)CC1=C(Br)C=NC=C1 AT12941 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.86 FC(F)OC1=C(Cl)C=CC=C1 F19093 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.86 FC1=C(OC(F)F)C=CC=C1 F18842 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.86 NC(=O)CC1=NC=CC=C1O D87092 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.182 CC1=C(CC#N)C=C(Cl)C=C1 AT13429 [0,1,0,0,0,0|0,0,2]=3 162 B11R1.182 CC1=C(CCN)C=C(Cl)C=C1 AT13431 [0,1,0,0,0,0|0,0,0]=1 163 B11R1.182 CC1=CC(CC#N)=C(Br)C=C1 D96277 [0,1,0,0,0,0|1,0,2]=4 164 B11R1.182 CCCC1=C(Br)C=CC(O)=C1 57995 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.182 CCCN1C=C(N)C=CC1=O AT19282 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.182 CCOC1=C(F)C=CC(Br)=C1 H11056 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.182 CNCC1=C(Cl)C=CC(Cl)=C1 76693 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.182 CNCC1=C(F)C=CC(Br)=C1 36267 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.182 COCC1=C(Br)C=CC(F)=C1 N11817 [0,1,0,0,0,0|3,0,0]=4 170 B11R1.182 ClC1=CC(CCBr)=C(Cl)C=C1 C78205 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.182 NC1=CN(CCO)C(=O)C=C1 AT19231 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.182 NCCC1=C(Br)C=CC(Cl)=C1 AT11063 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.182 NCCC1=C(F)C=CC(Br)=C1 N12525 [0,1,0,0,0,0|1,0,0]=2 174 B11R1.182 NCCC1=C(F)C=CC(F)=C1 AT21560 [0,1,0,0,0,0|1,0,0]=2 175 B11R1.182 NCCN1C=C(Br)C=CC1=O AT19269 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.182 NNCC1=C(Br)C=CC(Cl)=C1 AC5350 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.182 NNCC1=C(Cl)C=CC(F)=C1 AC5377 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.182 NNCC1=C(F)C=CC(Br)=C1 AC5379 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.182 N\N=C\C1=C(F)C=CC(Br)=C1 36791 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.182 O=C1C=CC(Br)=CN1CCO AT13854 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.222 C#C[C@@H](O)C1=C(Br)C=CC=C1 AC5641 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.222 C#C[C@@H](O)C1=C(C)C=CC=C1 AC4137 [0,1,0,0,0,0|1,0,1]=3 183 B11R1.222 C#C[C@@H](O)C1=C(Cl)C=CC=C1 AC5063 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.222 C#C[C@@H](O)C1=C(F)C=CC=C1 AC5690 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.222 C#C[C@@H](O)C1=C(O)C=CC=C1 AC5065 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.222 C=C[C@H](N)C1=C(Br)C=CC=C1 N15249 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.222 C=C[C@H](N)C1=C(Br)C=CC=C1 N15250 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.222 C=C[C@H](N)C1=C(Br)C=CC=C1 N15251 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.222 C=C[C@H](N)C1=C(C)C=CC=C1 N15259 [0,1,0,0,0,0|1,0,1]=3 190 B11R1.222 C=C[C@H](N)C1=C(C)C=CC=C1 N15260 [0,1,0,0,0,0|1,0,1]=3 191 B11R1.222 C=C[C@H](N)C1=C(C)C=CC=C1 N15261 [0,1,0,0,0,0|1,0,1]=3 192 B11R1.222 C=C[C@H](N)C1=C(Cl)C=CC=C1 N15239 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.222 C=C[C@H](N)C1=C(Cl)C=CC=C1 N15240 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.222 C=C[C@H](N)C1=C(Cl)C=CC=C1 N15241 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.222 C=C[C@H](N)C1=C(F)C=CC=C1 N15232 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.222 C=C[C@H](N)C1=C(F)C=CC=C1 N15233 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.222 C=C[C@H](N)C1=C(F)C=CC=C1 N15234 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.222 C=C[C@H](N)C1=C(O)C=CC=C1 N15292 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.222 C=C[C@H](N)C1=C(O)C=CC=C1 N15293 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.222 C=C[C@H](N)C1=C(O)C=CC=C1 N15294 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.222 C=C[C@H](N)C1=NC=CC=C1C N13860 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.222 C=C[C@H](N)C1=NC=CC=C1C N13861 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.222 C=C[C@H](N)C1=NC=CC=C1C N13864 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.222 C=C[C@H](N)C1=NC=CC=C1C N13865 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.222 C=C[C@H](N)C1=NC=CC=C1C N13866 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.222 CC1=C(C(=O)CO)C=CC=C1 AC4310 [0,1,0,0,0,0|1,0,1]=3 207 B11R1.222 CC1=C([C@@H](N)CF)C=CC=C1 N14610 [0,1,0,0,0,0|1,0,0]=2 208 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13426 [0,1,0,0,0,0|0,0,0]=1 209 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13427 [0,1,0,0,0,0|0,0,0]=1 210 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13428 [0,1,0,0,0,0|0,0,0]=1 211 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13449 [0,1,0,0,0,0|0,0,0]=1 212 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13450 [0,1,0,0,0,0|0,0,0]=1 213 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13451 [0,1,0,0,0,0|0,0,0]=1 214 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 N15069 [0,1,0,0,0,0|1,0,0]=2 215 B11R1.222 CC1=CC=CN=C1[C@@H](N)CN N14901 [0,1,0,0,0,0|1,0,0]=2 216 B11R1.222 CCC(=O)C1=C(Br)C=CC=C1 72058 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.222 CCC(=O)C1=NC=CC=C1C N12289 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 35361 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.222 CC[C@H](N)C1=C(Br)C=CC=C1 N13015 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.222 CC[C@H](N)C1=C(Cl)C=NC=C1 N14403 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13856 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13857 [0,1,0,0,0,0|2,0,0]=3 223 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13858 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13859 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.222 CC[C@H](O)C1=C(Br)C=CC=C1 N12628 [0,1,0,0,0,0|2,0,0]=3 226 B11R1.222 CC[C@H](O)C1=C(C)C=CC=C1 N14414 [0,1,0,0,0,0|1,0,0]=2 227 B11R1.222 CC[C@H](O)C1=C(Cl)C=CC=C1 N14413 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.222 CN[C@@H](C)C1=C(Br)C=CC=C1 N12718 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.222 CN[C@@H](C)C1=C(C)C=CC=C1 N12531 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.222 CN[C@@H](C)C1=C(O)C=CC=C1 N12719 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.222 N#C[C@@H](N)C1=C(F)C=CC=C1 AT10485 [0,1,0,0,0,0|1,0,2]=4 232 B11R1.222 NC1=C(C(=O)CCl)C=CC=C1 72272 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 W17616 [0,1,0,0,0,0|1,0,1]=3 234 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13418 [0,1,0,0,0,0|1,0,0]=2 235 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13419 [0,1,0,0,0,0|1,0,0]=2 236 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13441 [0,1,0,0,0,0|1,0,0]=2 237 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13442 [0,1,0,0,0,0|1,0,0]=2 238 B11R1.222 NC[C@H](N)C1=C(Cl)C=CC=C1 N13403 [0,1,0,0,0,0|1,0,0]=2 239 B11R1.222 NC[C@H](N)C1=C(Cl)C=CC=C1 N13409 [0,1,0,0,0,0|1,0,0]=2 240 B11R1.222 NC[C@H](N)C1=C(Cl)C=CC=C1 N13410 [0,1,0,0,0,0|1,0,0]=2 241 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13390 [0,1,0,0,0,0|1,0,0]=2 242 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13391 [0,1,0,0,0,0|1,0,0]=2 243 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13392 [0,1,0,0,0,0|1,0,0]=2 244 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13393 [0,1,0,0,0,0|1,0,0]=2 245 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13394 [0,1,0,0,0,0|1,0,0]=2 246 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13395 [0,1,0,0,0,0|1,0,0]=2 247 B11R1.222 NC[C@H](O)C1=C(Br)C=CC=C1 71742 [0,1,0,0,0,0|1,0,0]=2 248 B11R1.222 NC[C@H](O)C1=C(F)C=CC=C1 C78140 [0,1,0,0,0,0|1,0,0]=2 249 B11R1.222 NC[C@H](O)C1=C(I)C=CC=C1 O10641 [0,1,0,0,0,0|1,0,0]=2 250 B11R1.222 N[C@@H](CF)C1=C(F)C=CC=C1 N14609 [0,1,0,0,0,0|2,0,0]=3 251 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 C77783 [0,1,0,0,0,0|2,0,0]=3 252 B11R1.222 N[C@@H](CO)C1=C(Cl)C=NC=C1 N14404 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.222 N[C@@H](CO)C1=C(O)C=CC=C1 N15244 [0,1,0,0,0,0|2,0,0]=3 254 B11R1.222 N[C@@H](CO)C1=C(O)C=CC=C1 N15255 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.222 N[C@@H](CO)C1=C(O)C=CC=N1 N14918 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.222 O=C(CCl)C1=C(Cl)C=CC=C1 D71120 [0,1,0,0,0,0|2,0,1]=4 257 B11R1.222 O=C(CO)C1=C(Br)C=CC=C1 AC7495 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.222 O=C(CO)C1=C(F)C=CC=C1 AC5617 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.222 O=C(CO)C1=C(I)C=CC=C1 AC7053 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.222 O[C@@H](CF)C1=CC=CN=C1F AT10158 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.605 CC1=CC=CC(Cl)=C1N=C=O D96311 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.605 CCOC1=C(Br)C=CC=C1C N10239 [0,1,0,0,0,0|2,0,0]=3 263 B11R1.605 CCOC1=C(Cl)C=CC=C1N C77678 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.605 CNCC1=C(F)C=CC=C1F 36785 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.605 ClC1=CC=CC(Cl)=C1CCBr C78204 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.605 NCCC1=C(F)C=CC=C1F AT21561 [0,1,0,0,0,0|1,0,0]=2 267 B11R1.605 NCCC1=C(F)C=CC=C1O F50611 [0,1,0,0,0,0|1,0,0]=2 268 B11R1.605 NCCN1C(=O)C=CNC1=O C15628 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.605 O=CCC1=C(F)C=CC=C1F 36768 [0,1,0,0,0,0|2,0,1]=4 270 B11R1.605 OCCC1=C(F)C=CC=C1F A50722 [0,1,0,0,0,0|2,0,0]=3 271 B11R2.10 N=C1CC2=C(C=CC=C2)N1 30671 [0,0,0,1,0,0|1,0,2]=4 272 B11R2.10 NC1=CC2=C(C=CC=C2)N1 79767 [0,0,0,1,0,0|1,0,2]=4 273 B11R2.10 NC1=CC2=C(C=CC=C2)N1 F13373 [0,0,0,1,0,0|1,0,2]=4 274 B11R2.10 O=C1CC2=C(C=CC=C2)S1 A51238 [0,0,0,1,0,0|2,0,1]=4 275 B11R2.20 C1=CN=C2CNCCC2=C1 P10652 [0,0,0,1,0,0|1,0,0]=2 276 B11R2.20 C1=NC=C2CCNCC2=N1 P19161 [0,0,0,1,0,0|2,0,0]=3 277 B11R2.55 BrC1=C(C2CC2)C=CN=C1 AT12865 [0,0,0,1,0,0|3,0,0]=4 278 B11R2.55 CC1=C(C2CC2)C=CC=C1 AC9736 [0,0,0,1,0,0|1,0,0]=2 279 B11R2.55 CC1=CC=CN=C1C2CC2 AC9685 [0,0,0,1,0,0|2,0,0]=3 280 B11R2.55 CC1=NC=CC=C1C2CC2 F13571 [0,0,0,1,0,0|2,0,0]=3 281 B11R2.55 ClC1=C([C@@H]2CO2)C=CC=C1 AT10463 [0,0,0,1,0,0|2,0,0]=3 282 B11R2.55 ClC1=C([C@@H]2CO2)C=CC=C1 CK2535 [0,0,0,1,0,0|2,0,0]=3 283 B11R2.55 NC1=C(C2CC2)C=CC=C1 A10978 [0,0,0,1,0,0|2,0,0]=3 284 B11R2.55 NC1=C(C2CC2)C=CN=C1 AT16333 [0,0,0,1,0,0|3,0,0]=4 285 B11R2.55 OC1=C(C2CC2)C=CC=C1 91444 [0,0,0,1,0,0|2,0,0]=3 286 B11R2.106 BrC1=C2CCCC2=NC=C1 F53407 [0,0,0,1,0,0|3,0,0]=4 287 B11R2.106 BrC1=C2CCOC2=CC=C1 F12556 [0,0,0,1,0,0|2,0,0]=3 288 B11R2.106 CC1=C2C=CNC2=CN=C1 P11545 [0,0,0,1,0,0|1,0,2]=4 289 B11R2.106 CC1=C2CCOC2=NC=C1 97225 [0,0,0,1,0,0|2,0,0]=3 290 B11R2.106 CC1=C2N=CNC2=CC=C1 31265 [0,0,0,1,0,0|1,0,1]=3 291 B11R2.106 CC1=C2SN=NC2=CC=C1 D87603 [0,0,0,1,0,0|2,0,1]=4 292 B11R2.106 CC1=CC=CC2=C1CNC2 W10109 [0,0,0,1,0,0|2,0,0]=3 293 B11R2.106 CC1=CC=CC2=C1N=CO2 F18678 [0,0,0,1,0,0|2,0,1]=4 294 B11R2.106 CC1=CC=CC2=C1N=NN2 C80091 [0,0,0,1,0,0|2,0,0]=3 295 B11R2.106 CC1=CC=CC2=C1N=N[N-]2 F20812 [0,0,0,1,0,0|2,0,1]=4 296 B11R2.106 ClC1=C2CCCC2=CC=C1 N13077 [0,0,0,1,0,0|2,0,0]=3 297 B11R2.106 ClC1=C2CCOC2=NC=C1 97228 [0,0,0,1,0,0|3,0,0]=4 298 B11R2.106 ClC1=C2CNCC2=CC=C1 FD13081 [0,0,0,1,0,0|3,0,0]=4 299 B11R2.106 ClC1=C2OCCC2=CC=C1 F53809 [0,0,0,1,0,0|3,0,0]=4 300 B11R2.106 FC1=C2NCCC2=CC=C1 C73504 [0,0,0,1,0,0|3,0,0]=4 301 B11R2.106 IC1=C2CCOC2=CC=C1 E72245 [0,0,0,1,0,0|2,0,0]=3 302 B11R2.106 IC1=C2N=NNC2=CC=C1 O11246 [0,0,0,1,0,0|3,0,0]=4 303 B11R2.106 NC1=C2N=CNC2=CC=C1 P10197 [0,0,0,1,0,0|2,0,1]=4 304 B11R2.106 NC1=NC=NC2=C1CCN2 C16504 [0,0,0,1,0,0|3,0,0]=4 305 B11R2.106 O=C1C=CC=C2NCCN12 O10576 [0,0,0,1,0,0|2,0,0]=3 306 B11R2.988 NC[C@H]1CC2=C1C=CC=C2 AT20374 [0,0,0,1,0,0|0,0,0]=1 307 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 67862 [0,0,0,1,0,0|1,0,0]=2 308 B9R1.33 CC1=C(CCCl)SC=N1 T71110 [0,0,0,0,1,0|3,0,0]=4 309 B9R1.33 CC1=C(CCN)N=CN1 C15676 [0,0,0,0,1,0|2,0,0]=3 310 B9R1.33 CC1=C(CCN)N=CO1 AT18666 [0,0,0,0,1,0|2,0,0]=3 311 B9R1.33 CC1=C(CCN)SC=N1 D84303 [0,0,0,0,1,0|2,0,0]=3 312 B9R1.33 CCOC1=C(C)C=CS1 91672 [0,0,0,0,1,0|3,0,0]=4 313 B9R1.33 CN1C=CN=C1CCN AT24187 [0,0,0,0,1,0|2,0,0]=3 314 B9R1.33 CN1N=CC=C1CCO AT15967 [0,0,0,0,1,0|3,0,0]=4 315 B9R1.33 CN1N=CN=C1CCN AT12257 [0,0,0,0,1,0|3,0,0]=4 316 B8R1.2 NCC1=CC=CC=C1 T70846 [2,0,0,0,0,0|0,0,0]=2 317 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [2,0,0,0,0,0|2,0,0]=4 318 B8R1.5 CC1=CN=NC=C1C C15709 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.5 CC1=[N+](C)C=CC=C1 D87448 [2,0,0,0,0,0|1,0,0]=3 320 B8R1.5 NC1=C(S)C=NC=C1 P11896 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.5 OC1=[13C](O)C=CC=C1 D98565 [2,0,0,0,0,0|2,0,0]=4 322 B8R1.5 [2H]C1=C([2H])C=CC=C1 D97880 [2,0,0,0,0,0|2,0,0]=4 323 B10R1.1 CC1=CC=C(CNN)C=C1 O10110 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.1 CC1=CN=C(CCN)N=C1 AT18271 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.1 CC1=NC=C(CNN)C=C1 F15210 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.1 NC1=CC=C(OCF)C=C1 68782 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.1 NCCC1=CC=C(I)C=C1 C78427 [1,1,0,0,0,0|0,0,0]=2 330 B10R1.1 NCCC1=NC=C(Br)C=C1 P10593 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.1 NNCC1=CC=C(Br)C=C1 AC3503 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.1 NNCC1=CC=C(Cl)C=C1 37006 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.1 N\N=C\C1=CC=C(O)C=C1 F15571 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.1 OCCC1=CN=C(Br)C=C1 AC9473 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.1 OCCC1=CN=C(F)C=C1 AC9525 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.10 CC1=CC=CC(CC=O)=C1 74805 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.10 CC1=CC=CC(CCBr)=N1 AC6969 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.10 CC1=CC=CC(CCN)=N1 P19093 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.10 CC1=NC=CC(CNN)=C1 F52070 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.10 CC1=NC=CC(CNN)=C1 F52466 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [1,1,0,0,0,0|1,0,0]=3 342 B10R1.10 CCNC1=CC=CC(Cl)=C1 L10102 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.10 CCNC1=CC=CC(O)=C1 F16135 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.10 CCOC1=CC=CC(S)=C1 T73015 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.10 CCSC1=CC(N)=CC=C1 AT20857 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.10 COCC1=CC(N)=CC=C1 30379 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.10 CSCC1=CC(N)=CC=C1 AT15211 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.10 NCCC1=CC=CC(I)=C1 C78608 [1,1,0,0,0,0|0,0,0]=2 349 B10R1.10 NNCC1=CC(Br)=CN=C1 P11105 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.10 NNCC1=CC=CC(Cl)=C1 P15270 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.10 NNCC1=CC=CC(O)=C1 D87672 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.10 N\N=C\C1=CC=CC(O)=C1 F15561 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.10 O=CCC1=CC=CC(Cl)=C1 W16823 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10611 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [1,1,0,0,0,0|1,0,1]=4 359 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10550 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10551 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14528 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14530 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.15 NCC(=O)C1=CN=CC=C1 D87739 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.15 NCC(=O)C1=CN=CC=C1 F13353 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.15 NC[C@H](O)C1=CC=NC=C1 C78562 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.15 NC[C@H](O)C1=CN=CC=C1 33361 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11546 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12429 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12120 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12118 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12119 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12430 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.15 O[C@@H](CCl)C1=CN=CC=C1 Y10944 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.17 BrCCSC1=CC=NC=C1 AT18153 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.17 CNCCC1=CC=CN=C1 C73747 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.17 CNCCC1=CC=NC=C1 AR1715 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.17 CNNCC1=NC=CC=C1 30190 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.17 FCCNC1=CC=CC=C1 D77931 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.17 NCCNC1=NC=CC=C1 O12009 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.17 NCCNC1=NC=CC=N1 AT18241 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.17 NCCOC1=NC=CC=N1 AT18221 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.17 NC\C=C\C1=CC=CC=C1 A12523 [1,1,0,0,0,0|0,0,1]=3 384 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [1,1,0,0,0,0|0,0,0]=2 385 B10R1.17 NOCCC1=CC=CC=C1 C10179 [1,1,0,0,0,0|0,0,0]=2 386 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.17 OCCOC1=NC=CC=C1 C90307 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.17 SCCCC1=CN=CC=C1 F18019 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.17 SCCCC1=NC=CC=C1 F18728 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.18 CC(C)CC1=CC=NC=C1 AC2809 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.18 C[C@H](N)CC1=CC=NC=C1 F11581 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.18 C[C@H](N)CC1=NC=CC=C1 F13183 [1,1,0,0,0,0|1,0,0]=3 395 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [1,1,0,0,0,0|0,0,1]=3 398 B10R1.18 OB(O)CC1=CC=CC=C1 32975 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.2 CC1=C(Br)C=CN=C1NN AT18414 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.2 CC1=C(CCl)C=CC=[N+]1[O-] 96309 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.2 CC1=C(F)C=CC=C1CN N12172 [1,1,0,0,0,0|0,0,0]=2 402 B10R1.2 CC1=C(O)C=CC=C1CO 56654 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.2 CC1=CC=CC(CN)=C1O N10504 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.2 CCC1=C(Br)C(C)=CC=C1 D85933 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.2 CCC1=CC=CC(Cl)=C1N W13802 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.2 CCN1C=CC=C(N)C1=O AT19274 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.2 CN1C=CC=C(CN)C1=O P11876 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.2 CNC1=CC=CC(F)=C1N AC7422 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.2 CNC1=CN=CC(Br)=C1C AT12945 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.2 COC1=C(N)C(N)=CC=C1 F52601 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.2 COC1=C(O)C(N)=CC=C1 O10655 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.2 COC1=CC=CC(Cl)=C1N CL9246 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.2 COC1=CC=CC(S)=C1N AT19649 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.2 CSC1=C(C)C(N)=CC=C1 AT20858 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.2 CSC1=CC=CC(Br)=C1C AC7030 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.2 NCC1=CC=CC(F)=C1O N12979 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.2 NCC1=CC=CC(I)=C1Cl C72087 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.2 NNC1=CC=CC(Br)=C1F 53855 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.2 OCC1=CC=CC(Cl)=C1F A12360 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.20 CCC1=CC=CN=C1C#N 50481 [1,1,0,0,0,0|1,0,1]=4 421 B10R1.20 CNC1=C(CO)C=CC=C1 C74490 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.20 CNC1=C(OC)C=CC=N1 77471 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.20 CNC1=C(SC)C=CC=C1 AT20832 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.20 COC1=C(CN)C=CN=C1 P16442 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.20 COC1=C(CN)N=CC=C1 O10088 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.20 COC1=C(CO)C=CN=C1 P11879 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.20 COC1=C(NN)C=CC=C1 71208 [1,1,0,0,0,0|1,0,0]=3 428 B10R1.20 COC1=C(SC)C=CC=N1 F50798 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.20 COC1=CC=CN=C1CCl 27916 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.20 COC1=NC=CC=C1CN 36590 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.20 COC1=NC=CN=C1CN C71765 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.20 N#CC1=NC=CC=C1CN 92898 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.20 NNC1=C(CO)C=CC=N1 D77554 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.25 BrCC1=C(Br)C=C(Br)C=C1 C90776 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.25 CC1=C(C#N)C=CC(S)=C1 AT20986 [1,1,0,0,0,0|0,0,2]=4 436 B10R1.25 CC1=C(CBr)C=CC(N)=C1 98280 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.25 CC1=C(CCl)C=CC(F)=N1 77960 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.25 CC1=C(CN)C=NC(N)=N1 C15221 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.25 CC1=C(CO)C=CC(Br)=N1 AT12929 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.25 CC1=C(CO)C=CC(Cl)=C1 T70197 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.25 CC1=C(CO)C=CC(Cl)=N1 F16741 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.25 CC1=C(CO)C=CC(F)=C1 CK2474 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.25 CC1=C(CO)C=CC(O)=C1 N13176 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.25 CC1=CC(C)=NC=C1CN W16199 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.25 CC1=CC(F)=C(CN)C=C1 A12837 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.25 CC1=CC(F)=C(CO)C=C1 98275 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.25 CC1=CC(F)=C(NN)C=C1 A12578 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.25 CC1=CC(N)=C(CO)C=C1 O10038 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.25 CC1=CC(O)=C(CO)C=C1 N12596 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.25 CC1=CN=C(CBr)C(C)=C1 O10504 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.25 CC1=CN=C(CN)C(C)=C1 D73748 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.25 CC1=NC(C)=C(CN)C=N1 F53535 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.25 CCC1=C(Br)C=C(Br)C=N1 F14393 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.25 CCC1=C(N)C=C(F)C=C1 F20990 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.25 CCN1C=CC(N)=CC1=O P12616 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.25 CNC1=C(F)C=C(Br)C=C1 AT23114 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.25 CNC1=C(F)C=C(Cl)C=C1 C11094 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.25 CNC1=CN=C(Br)C=C1C 96211 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.25 CNC1=CN=C(Cl)C=C1C 96215 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.25 COC1=C(C)N=C(N)C=C1 F53499 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.25 COC1=C(I)C=C(I)C=C1 AT18541 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.25 CSC1=C(Br)C=C(Br)C=C1 C13885 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.25 CSC1=C(F)C=C(O)C=C1 94985 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.25 CSC1=NC=C(Br)C=C1C AT14138 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.25 FC1=CC(F)=C(CS)C=C1 AT13686 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.25 NC1=C(CO)C=CC(F)=C1 AC5155 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.25 NC1=CC(F)=C(CO)C=C1 AT26531 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.25 NC1=CC(O)=C(CO)C=C1 D76340 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.25 NCC1=C(Br)C=C(Br)C=N1 C91443 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.25 NCC1=C(Br)C=C(Cl)C=N1 C91442 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.25 NCC1=C(Br)C=C(F)C=C1 Y11648 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.25 NCC1=C(Cl)C=C(O)C=C1 F52064 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.25 NCC1=C(F)C=C(F)C=N1 AC1076 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.25 NCC1=C(F)C=C(F)C=N1 O10070 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.25 NCC1=C(F)C=C(N)C=C1 C90567 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.25 NCC1=C(F)C=C(O)C=C1 N14307 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.25 NCC1=C(N)C=C(Cl)C=C1 AC6575 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.25 NCC1=C(O)C=C(Br)C=C1 AT19138 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.25 NCC1=C(O)C=C(O)C=C1 I11211 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.25 NCC1=NC=C(Br)C=C1F P12061 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.25 NCC1=NC=C(Cl)C=C1F W15622 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.25 NNC1=C(Br)C=C(F)C=C1 69916 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.25 NNC1=C(Cl)C=C(F)C=C1 C10398 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.25 OCC1=C(I)C=C(Cl)C=C1 C90809 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.25 OCC1=C(O)C=C(F)C=C1 A51208 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.30 BrCC1=C(Br)C=CC(Br)=C1 68639 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.30 BrCC1=C(Br)C=CC(I)=C1 CL9154 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.30 BrCC1=C(I)C=CC(Br)=C1 CL9155 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.30 CC1=C(CBr)C=C(Cl)C=C1 73456 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.30 CC1=C(CO)C=C(O)C=C1 AC3540 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.30 CC1=C(CO)N=C(Br)C=C1 AT18411 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.30 CC1=CC(CBr)=C(F)C=C1 98276 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.30 CC1=CC(CO)=C(I)C=C1 H11526 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.30 CC1=NC=C(Br)C=C1CCl AC3206 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.30 CCC1=C(Br)C=NC(Cl)=C1 AT13829 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.30 CCC1=C(C)C=CC(C)=C1 T71937 [1,1,0,0,0,0|0,0,0]=2 497 B10R1.30 CCC1=CC(Br)=NC=C1N 51679 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.30 CCN1C=C(N)C=CC1=O AT19278 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.30 CNC1=C(F)C=CC(Br)=C1 AC3023 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.30 CNC1=C(N)C=CC(Cl)=C1 C76710 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.30 CNC1=C(O)C=CC(C)=C1 C16345 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.30 COC1=C(C)C=CC(O)=C1 AT19376 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.30 COC1=C(S)C=CC(N)=C1 D87749 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.30 CSC1=C(Br)C=CC(Br)=C1 C13369 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.30 CSC1=C(N)C=CC(C)=C1 AT20827 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.30 NCC1=C(Br)C=CC(F)=C1 AC7757 [1,1,0,0,0,0|1,0,0]=3 507 B10R1.30 NCC1=C(Br)C=CC(O)=C1 D88088 [1,1,0,0,0,0|1,0,0]=3 508 B10R1.30 NCC1=C(F)C=CC(N)=C1 AC9197 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.30 NCC1=C(I)C=CC(Br)=C1 67324 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.30 NCC1=C(N)C=CC(Br)=C1 O10495 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.30 NCC1=C(N)C=CC(F)=C1 CK2412 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.30 NCC1=C(O)C=CC(Br)=C1 76231 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.30 NCC1=CC(Br)=CN=C1F P12283 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.30 NCC1=CC(Br)=CN=C1N AC3840 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.30 NCC1=CC(Cl)=CN=C1O 79398 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.30 NNC1=C(Cl)C=CC(Br)=C1 E72103 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.30 NNC1=C(F)C=CC(Cl)=C1 A51221 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.61 C=C(C)C1=C(I)C=CC=C1 E72643 [1,1,0,0,0,0|1,0,1]=4 519 B10R1.61 CC(=O)C1=C(C)C=CN=C1 69949 [1,1,0,0,0,0|1,0,1]=4 520 B10R1.61 CC(=O)C1=C(C)C=NC=C1 28203 [1,1,0,0,0,0|1,0,1]=4 521 B10R1.61 CC(=O)C1=C(S)C=CC=C1 93483 [1,1,0,0,0,0|1,0,1]=4 522 B10R1.61 CC1=C(C(C)C)C=CC=C1 T71005 [1,1,0,0,0,0|0,0,0]=2 523 B10R1.61 CC1=C(P(Cl)Cl)C=CC=C1 AC9855 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.61 CC1=[13C](C(=O)O)C=CC=C1 D98685 [1,1,0,0,0,0|1,0,1]=4 525 B10R1.61 C[C@H](Br)C1=C(Cl)C=CC=C1 C77623 [1,1,0,0,0,0|1,0,0]=3 526 B10R1.61 C[C@H](Cl)C1=C(Cl)C=CC=C1 A11172 [1,1,0,0,0,0|1,0,0]=3 527 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 70081 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.61 C[C@H](N)C1=C(Cl)C=NC=C1 N14402 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.61 C[C@H](N)C1=C(O)C=CC=N1 N14916 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.61 C[C@H](N)C1=CC=CN=C1N P19332 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 C10363 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.61 N=C(N)C1=C(F)C=CC=C1 W10322 [1,1,0,0,0,0|1,0,1]=4 533 B10R1.245 CC1=C(CN)C(=O)NC=C1 F18093 [1,1,0,0,0,0|1,0,0]=3 534 B10R1.245 CC1=CC=CC(Br)=C1CO D96259 [1,1,0,0,0,0|1,0,0]=3 535 B10R1.245 CC1=CC=CC(N)=C1C=O F15844 [1,1,0,0,0,0|1,0,1]=4 536 B10R1.245 CC1=CC=CC(N)=C1CO AC6550 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.245 COC1=C(I)C=CC=C1Cl C90767 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.245 COC1=C(O)C=CC=C1N AT15764 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.245 NCC1=C(Br)C=NC=C1Br AC3558 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.245 NCC1=C(Cl)C=CN=C1N 81939 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.245 OCC1=C(Br)C=CC=C1Cl C91616 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.245 OCC1=C(Br)C=CC=C1O 75753 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.5 BrCCC1=C(CBr)C=CS1 H11171 [0,1,0,0,1,0|2,0,0]=4 544 B10R1.5 NCCC1=C(CO)N=CO1 AT18733 [0,1,0,0,1,0|2,0,0]=4 545 B10R1.29 CNCCN1C=CN=C1C D75971 [0,1,0,0,1,0|2,0,0]=4 546 B10R1.149 CN1C=CN=C1[C@@H](O)CN F20265 [0,1,0,0,1,0|2,0,0]=4 547 B10R1.187 CC1=NNC(C)=C1CCN C80023 [0,1,0,0,1,0|2,0,0]=4 548 B10R1.187 CN1N=CC(Br)=C1CCN D79720 [0,1,0,0,1,0|2,0,0]=4 549 B10R1.187 NCCN1C(=O)C=CC1=O D73536 [0,1,0,0,1,0|2,0,0]=4 550 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1Br N13711 [0,2,0,0,0,0|1,0,0]=3 551 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1Br N13712 [0,2,0,0,0,0|1,0,0]=3 552 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1Br N13713 [0,2,0,0,0,0|1,0,0]=3 553 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1C N13748 [0,2,0,0,0,0|0,0,0]=2 554 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1C N13749 [0,2,0,0,0,0|0,0,0]=2 555 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1C N13750 [0,2,0,0,0,0|0,0,0]=2 556 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1C N13751 [0,2,0,0,0,0|0,0,0]=2 557 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1C N13752 [0,2,0,0,0,0|0,0,0]=2 558 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1Cl N13574 [0,2,0,0,0,0|1,0,0]=3 559 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1Cl N13575 [0,2,0,0,0,0|1,0,0]=3 560 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1Cl N13576 [0,2,0,0,0,0|1,0,0]=3 561 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1F N13535 [0,2,0,0,0,0|1,0,0]=3 562 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1F N13536 [0,2,0,0,0,0|1,0,0]=3 563 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1F N13537 [0,2,0,0,0,0|1,0,0]=3 564 B12R1.24 CCC(=O)C1=C(C)C(C)=CC=C1 N14095 [0,2,0,0,0,0|1,0,1]=4 565 B12R1.24 CC[C@H](N)C1=C(C)C(C)=CC=C1 N11288 [0,2,0,0,0,0|1,0,0]=3 566 B12R1.24 CC[C@H](N)C1=CC=CC(F)=C1F N11377 [0,2,0,0,0,0|2,0,0]=4 567 B12R1.24 CC[C@H](O)C1=C(C)C(C)=CC=C1 N14424 [0,2,0,0,0,0|1,0,0]=3 568 B12R1.24 CC[C@H](O)C1=CC=CC(Cl)=C1Cl N14420 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.24 CC[C@H](O)C1=CC=CC(F)=C1F N14417 [0,2,0,0,0,0|2,0,0]=4 570 B12R1.24 NC[C@H](N)C1=CC=CC(Br)=C1F N13532 [0,2,0,0,0,0|1,0,0]=3 571 B12R1.24 NC[C@H](N)C1=CC=CC(Br)=C1F N13533 [0,2,0,0,0,0|1,0,0]=3 572 B12R1.24 NC[C@H](N)C1=CC=CC(Br)=C1F N13534 [0,2,0,0,0,0|1,0,0]=3 573 B12R1.24 NC[C@H](N)C1=CC=CC(Cl)=C1Cl N13571 [0,2,0,0,0,0|1,0,0]=3 574 B12R1.24 NC[C@H](N)C1=CC=CC(Cl)=C1Cl N13572 [0,2,0,0,0,0|1,0,0]=3 575 B12R1.24 NC[C@H](N)C1=CC=CC(Cl)=C1Cl N13573 [0,2,0,0,0,0|1,0,0]=3 576 B12R1.24 NC[C@H](N)C1=CC=CC(Cl)=C1F N13525 [0,2,0,0,0,0|1,0,0]=3 577 B12R1.24 NC[C@H](N)C1=CC=CC(Cl)=C1F N13528 [0,2,0,0,0,0|1,0,0]=3 578 B12R1.24 NC[C@H](N)C1=CC=CC(Cl)=C1F N13529 [0,2,0,0,0,0|1,0,0]=3 579 B12R1.24 NC[C@H](N)C1=CC=CC(Cl)=C1F N13530 [0,2,0,0,0,0|1,0,0]=3 580 B12R1.24 NC[C@H](N)C1=CC=CC(Cl)=C1F N13531 [0,2,0,0,0,0|1,0,0]=3 581 B12R1.24 NC[C@H](N)C1=CC=CC(F)=C1Cl N13568 [0,2,0,0,0,0|1,0,0]=3 582 B12R1.24 NC[C@H](N)C1=CC=CC(F)=C1Cl N13569 [0,2,0,0,0,0|1,0,0]=3 583 B12R1.24 NC[C@H](N)C1=CC=CC(F)=C1Cl N13570 [0,2,0,0,0,0|1,0,0]=3 584 B12R1.24 NC[C@H](N)C1=CC=CC(F)=C1F N13522 [0,2,0,0,0,0|1,0,0]=3 585 B12R1.24 NC[C@H](N)C1=CC=CC(F)=C1F N13523 [0,2,0,0,0,0|1,0,0]=3 586 B12R1.24 NC[C@H](N)C1=CC=CC(F)=C1F N13524 [0,2,0,0,0,0|1,0,0]=3 587 B12R1.24 N[C@@H](CO)C1=CC=CC(Cl)=C1Cl N12765 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.24 N[C@@H](CO)C1=CC=CC(Cl)=C1F N13062 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.25 CCCOC1=C(C)C(N)=CC=C1 F17950 [0,2,0,0,0,0|1,0,0]=3 590 B12R1.224 CC1=C(Br)C=CC=C1CC(=O)O CL9370 [0,2,0,0,0,0|1,0,1]=4 591 B12R1.224 CC1=C(Br)C=CC=C1NC(C)C 96869 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.224 CC1=C(Br)C=CC=C1OC(F)F F19068 [0,2,0,0,0,0|2,0,0]=4 593 B12R1.224 CC1=C(Cl)C=CC=C1CC(=O)O C90794 [0,2,0,0,0,0|1,0,1]=4 594 B12R1.224 CC1=C(Cl)C=CC=C1OC(F)F F18843 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.224 CC1=C(I)C=CC=C1OC(F)F F19041 [0,2,0,0,0,0|2,0,0]=4 596 B12R1.224 CC1=C(OC(F)F)C=CC=C1N AT12949 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.224 C[C@H](N)CC1=CC=CC(Cl)=C1Cl N11069 [0,2,0,0,0,0|1,0,0]=3 598 B12R1.224 NC(=O)CC1=CC=CC(Br)=C1F 92646 [0,2,0,0,0,0|1,0,1]=4 599 B12R1.280 COC1=C(O)C(CCN)=CC=C1 F30665 [0,2,0,0,0,0|1,0,0]=3 600 B12R1.497 NC1=C(CCO)C(F)=C(F)C=C1 12119 [0,2,0,0,0,0|2,0,0]=4 601 B12R1.497 OCCC1=C(Cl)C=CC(F)=C1Cl W12045 [0,2,0,0,0,0|2,0,0]=4 602 B12R1.542 CCN1C(=O)C=CC=C1CCN F13866 [0,2,0,0,0,0|1,0,0]=3 603 B12R1.542 COC1=C(F)C=CC=C1CC#N D96289 [0,2,0,0,0,0|0,0,2]=4 604 B12R1.69 BrCCOC1=C(Br)C=C(Br)C=C1 CS2091 [0,2,0,0,0,0|2,0,0]=4 605 B12R1.69 CC1=C(OCC=O)C=CC(Cl)=C1 H11069 [0,2,0,0,0,0|1,0,1]=4 606 B12R1.69 CC1=CC(Br)=NC=C1OCCF 96318 [0,2,0,0,0,0|2,0,0]=4 607 B12R1.69 CCNCC1=C(C)C=C(C)C=C1 W16027 [0,2,0,0,0,0|1,0,0]=3 608 B12R1.69 CNCCC1=C(Cl)C=C(Cl)C=C1 C78436 [0,2,0,0,0,0|1,0,0]=3 609 B12R1.69 FC1=CC(F)=C(CCCBr)C=C1 C77740 [0,2,0,0,0,0|2,0,0]=4 610 B12R1.69 NC1=C(NCCO)C=CC(Br)=C1 N10335 [0,2,0,0,0,0|2,0,0]=4 611 B12R1.69 NC1=CC(N)=C(OCCO)C=C1 F20765 [0,2,0,0,0,0|2,0,0]=4 612 B12R1.69 NCCCC1=C(Cl)C=C(Cl)C=C1 F20099 [0,2,0,0,0,0|1,0,0]=3 613 B12R1.69 NCCCC1=C(F)C=C(F)C=C1 C78172 [0,2,0,0,0,0|1,0,0]=3 614 B12R1.69 OCCCC1=C(F)C=C(F)C=C1 C78631 [0,2,0,0,0,0|2,0,0]=4 615 B12R1.121 CNCCC1=C(OC)C=CC=C1 C77728 [0,2,0,0,0,0|0,0,0]=2 616 B12R1.121 COC1=C(CCCBr)C=CC=C1 C78175 [0,2,0,0,0,0|1,0,0]=3 617 B12R1.121 O=CCCC1=C(CO)C=CC=C1 F19762 [0,2,0,0,0,0|1,0,0]=3 618 B12R1.125 CC(C)NCC1=C(Br)C=CC=C1 C78572 [0,2,0,0,0,0|2,0,0]=4 619 B12R1.125 CC(C)NCC1=C(Cl)C=CC=C1 C78237 [0,2,0,0,0,0|2,0,0]=4 620 B12R1.125 CC(C)NCC1=C(F)C=CC=C1 C78588 [0,2,0,0,0,0|2,0,0]=4 621 B12R1.125 CC(C)OCC1=C(Br)C=CC=C1 N10193 [0,2,0,0,0,0|2,0,0]=4 622 B12R1.125 NC1=C(CCC(=O)O)C=CC=C1 F52868 [0,2,0,0,0,0|2,0,0]=4 623 B12R1.267 BrCCCCC1=C(Br)C=CC=C1 AT22148 [0,2,0,0,0,0|2,0,0]=4 624 B12R1.267 C=CCCOC1=C(Br)C=CC=C1 C11642 [0,2,0,0,0,0|2,0,0]=4 625 B12R1.267 C=CCOCC1=C(N)C=CC=C1 I11747 [0,2,0,0,0,0|2,0,0]=4 626 B12R1.267 CCCNCC1=C(Br)C=CC=C1 C78484 [0,2,0,0,0,0|2,0,0]=4 627 B12R1.267 CCCNCC1=C(C)C=CC=C1 C78482 [0,2,0,0,0,0|1,0,0]=3 628 B12R1.267 CCCNCC1=C(Cl)C=CC=C1 C78483 [0,2,0,0,0,0|2,0,0]=4 629 B12R1.267 CCCNCC1=C(F)C=CC=C1 C78370 [0,2,0,0,0,0|2,0,0]=4 630 B12R1.267 CCNCCC1=C(F)C=CC=C1 AC6701 [0,2,0,0,0,0|1,0,0]=3 631 B12R1.267 COCOCC1=C(Br)C=CC=C1 C11531 [0,2,0,0,0,0|2,0,0]=4 632 B12R1.267 ClCCCOC1=C(Br)C=CC=C1 N10153 [0,2,0,0,0,0|2,0,0]=4 633 B12R1.267 NCCCOC1=C(F)C=CC=C1 AC7557 [0,2,0,0,0,0|1,0,0]=3 634 B12R1.267 OCCNCC1=C(F)C=CC=C1 AT15322 [0,2,0,0,0,0|2,0,0]=4 635 B12R1.308 C=CC[C@H](O)C1=C(Cl)C=CC=C1 F14511 [0,2,0,0,0,0|2,0,0]=4 636 B12R1.308 CCCC(=O)C1=C(Br)C=CC=C1 N13959 [0,2,0,0,0,0|2,0,0]=4 637 B12R1.308 CCCC(=O)C1=C(C)C=CC=C1 N13966 [0,2,0,0,0,0|1,0,0]=3 638 B12R1.308 CCCC(=O)C1=C(Cl)C=CC=C1 N12776 [0,2,0,0,0,0|2,0,0]=4 639 B12R1.308 CCCC(=O)C1=C(F)C=CC=C1 N13948 [0,2,0,0,0,0|2,0,0]=4 640 B12R1.308 CCC[C@H](N)C1=NC=CC=C1C N13874 [0,2,0,0,0,0|2,0,0]=4 641 B12R1.308 CCC[C@H](N)C1=NC=CC=C1C N13875 [0,2,0,0,0,0|2,0,0]=4 642 B12R1.308 CCC[C@H](N)C1=NC=CC=C1C N13876 [0,2,0,0,0,0|2,0,0]=4 643 B12R1.308 CCC[C@H](N)C1=NC=CC=C1C N13884 [0,2,0,0,0,0|2,0,0]=4 644 B12R1.308 CCC[C@H](N)C1=NC=CC=C1C N13885 [0,2,0,0,0,0|2,0,0]=4 645 B12R1.308 N[C@@H](CCO)C1=C(Br)C=CC=C1 N13027 [0,2,0,0,0,0|2,0,0]=4 646 B12R1.308 N[C@@H](CCO)C1=C(Cl)C=CC=C1 58181 [0,2,0,0,0,0|2,0,0]=4 647 B12R1.308 N[C@@H](CCO)C1=C(F)C=CC=C1 N10902 [0,2,0,0,0,0|2,0,0]=4 648 B12R1.371 CC1=C(C[C@H](N)CO)C=CC=C1 C78603 [0,2,0,0,0,0|0,0,0]=2 649 B12R1.371 CC1=C(C[C@H](N)CO)C=CC=C1 N11149 [0,2,0,0,0,0|0,0,0]=2 650 B12R1.371 CC1=C(O[C@@H](C)CN)C=CC=C1 F50684 [0,2,0,0,0,0|0,0,0]=2 651 B12R1.371 CCC(=O)CC1=C(Br)C=CC=C1 N12602 [0,2,0,0,0,0|2,0,0]=4 652 B12R1.371 CCC(=O)CC1=C(C)C=CC=C1 N14163 [0,2,0,0,0,0|1,0,0]=3 653 B12R1.371 CCC(=O)CC1=C(Cl)C=CC=C1 N14147 [0,2,0,0,0,0|2,0,0]=4 654 B12R1.371 CC[C@H](N)CC1=C(Br)C=CC=C1 N14510 [0,2,0,0,0,0|1,0,0]=3 655 B12R1.371 CC[C@H](N)CC1=C(C)C=CC=C1 N14512 [0,2,0,0,0,0|0,0,0]=2 656 B12R1.371 CC[C@H](N)CC1=C(Cl)C=CC=C1 N14502 [0,2,0,0,0,0|1,0,0]=3 657 B12R1.371 CC[C@H](N)CC1=C(F)C=CC=C1 N14507 [0,2,0,0,0,0|1,0,0]=3 658 B12R1.371 NC[C@@H](N)CC1=C(F)C=CC=C1 N14640 [0,2,0,0,0,0|1,0,0]=3 659 B12R1.371 N[C@H](CO)CC1=C(Br)C=CC=C1 C77829 [0,2,0,0,0,0|1,0,0]=3 660 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 N11299 [0,2,0,0,0,0|1,0,0]=3 661 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 N11304 [0,2,0,0,0,0|1,0,0]=3 662 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N11418 [0,2,0,0,0,0|1,0,0]=3 663 B12R1.374 CCOCC1=C(Br)C=CC(F)=C1 N10175 [0,2,0,0,0,0|2,0,0]=4 664 B12R1.374 CCOCC1=C(F)C=CC(Br)=C1 N10200 [0,2,0,0,0,0|2,0,0]=4 665 B12R1.374 ClC1=CC(OCCBr)=C(Br)C=C1 AT20088 [0,2,0,0,0,0|2,0,0]=4 666 B12R1.374 FC1=CC(CCCBr)=C(F)C=C1 C77741 [0,2,0,0,0,0|2,0,0]=4 667 B12R1.374 NCCCN1C=C(Br)C=CC1=O AT19270 [0,2,0,0,0,0|2,0,0]=4 668 B12R1.374 OCCCC1=C(F)C=CC(F)=C1 C78523 [0,2,0,0,0,0|2,0,0]=4 669 B12R1.1631 N#CCCC1=C(Cl)C=CC=C1Cl S10123 [0,2,0,0,0,0|1,0,1]=4 670 B12R1.75 CC(C)OC1=C(CN)C=CC=C1 S10925 [0,2,0,0,0,0|2,0,0]=4 671 B12R1.75 CN(C)CC1=C(CN)C=CC=C1 C90142 [0,2,0,0,0,0|2,0,0]=4 672 B12R1.75 COC1=C(CC(=O)Cl)C=CC=C1 F11411 [0,2,0,0,0,0|1,0,1]=4 673 B12R1.75 COC1=C(C[C@H](C)N)C=CC=C1 N11278 [0,2,0,0,0,0|0,0,0]=2 674 B12R1.75 COC1=C(C[C@H](C)N)C=CC=C1 N11279 [0,2,0,0,0,0|0,0,0]=2 675 B12R1.77 C#C[C@@H](O)C1=C(OC)C=CC=C1 AC4743 [0,2,0,0,0,0|1,0,1]=4 676 B12R1.77 C=C[C@H](N)C1=C(CC)C=CC=C1 N15268 [0,2,0,0,0,0|1,0,1]=4 677 B12R1.77 C=C[C@H](N)C1=C(CC)C=CC=C1 N15269 [0,2,0,0,0,0|1,0,1]=4 678 B12R1.77 C=C[C@H](N)C1=C(CC)C=CC=C1 N15270 [0,2,0,0,0,0|1,0,1]=4 679 B12R1.77 C=C[C@H](N)C1=C(OC)C=CC=C1 N15283 [0,2,0,0,0,0|1,0,1]=4 680 B12R1.77 C=C[C@H](N)C1=C(OC)C=CC=C1 N15284 [0,2,0,0,0,0|1,0,1]=4 681 B12R1.77 C=C[C@H](N)C1=C(OC)C=CC=C1 N15285 [0,2,0,0,0,0|1,0,1]=4 682 B12R1.77 CCC1=C([C@@H](N)CN)C=CC=C1 N13458 [0,2,0,0,0,0|0,0,0]=2 683 B12R1.77 CCC1=C([C@@H](N)CN)C=CC=C1 N13459 [0,2,0,0,0,0|0,0,0]=2 684 B12R1.77 CCC1=C([C@@H](N)CN)C=CC=C1 N13460 [0,2,0,0,0,0|0,0,0]=2 685 B12R1.77 CC[C@H](N)C1=C(CO)C=CC=C1 Y13011 [0,2,0,0,0,0|1,0,0]=3 686 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=N1 N14894 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.77 CC[C@H](O)C1=C(OC)C=CC=C1 N14415 [0,2,0,0,0,0|1,0,0]=3 688 B12R1.77 COC1=C(C(=O)CN)C=CC=C1 C74781 [0,2,0,0,0,0|0,0,1]=3 689 B12R1.77 COC1=C(C(=O)CO)C=CC=C1 AC5663 [0,2,0,0,0,0|1,0,1]=4 690 B12R1.77 COC1=C([C@@H](N)CN)C=CC=C1 N12819 [0,2,0,0,0,0|0,0,0]=2 691 B12R1.77 COC1=C([C@@H](N)CN)C=CC=C1 N13475 [0,2,0,0,0,0|0,0,0]=2 692 B12R1.77 COC1=C([C@@H](N)CN)C=CC=C1 N13476 [0,2,0,0,0,0|0,0,0]=2 693 B12R1.77 COC1=C([C@@H](N)CN)C=CC=C1 N13483 [0,2,0,0,0,0|0,0,0]=2 694 B12R1.77 COC1=C([C@@H](N)CN)C=CC=C1 N13484 [0,2,0,0,0,0|0,0,0]=2 695 B12R1.77 COC1=C([C@@H](N)CO)C=CC=C1 D81510 [0,2,0,0,0,0|1,0,0]=3 696 B12R1.77 COC1=C([C@@H](N)CO)N=CC=C1 N14895 [0,2,0,0,0,0|2,0,0]=4 697 B12R1.77 COC1=C([C@@H](O)CO)C=CC=C1 W15251 [0,2,0,0,0,0|1,0,0]=3 698 B12R1.112 COC1=C(CC#N)C=CC(Cl)=C1 76060 [0,2,0,0,0,0|0,0,2]=4 699 B12R1.169 COCC1=C(CCO)C=CC=C1 C14460 [0,2,0,0,0,0|1,0,0]=3 700 B12R1.268 COC1=C(CC#N)C=C(F)C=C1 CK2057 [0,2,0,0,0,0|0,0,2]=4 701 B12R1.283 CCOC1=C([C@H](C)N)C=CC=C1 N13079 [0,2,0,0,0,0|2,0,0]=4 702 B12R1.283 NNCC1=C([N+](=O)[O-])C=CC=C1 W16013 [0,2,0,0,0,0|2,0,0]=4 703 B12R1.1112 COC1=CC=CC(F)=C1CCN F50615 [0,2,0,0,0,0|0,0,0]=2 704 B12R1.233 CC1=C(OC(F)F)C=CC(Cl)=C1 F18867 [0,2,0,0,0,0|2,0,0]=4 705 B12R1.233 CC1=C(OC(F)F)C=CC(F)=C1 F19086 [0,2,0,0,0,0|2,0,0]=4 706 B12R1.233 CC1=C(OC(F)F)C=CC(I)=C1 F19115 [0,2,0,0,0,0|2,0,0]=4 707 B12R1.233 C[C@H](N)CC1=C(Cl)C=C(Cl)C=C1 N11064 [0,2,0,0,0,0|1,0,0]=3 708 B12R1.233 C[C@H](N)CC1=C(Cl)C=C(F)C=C1 N11062 [0,2,0,0,0,0|1,0,0]=3 709 B12R1.1123 FC1=CC(F)=C(CCBr)C=C1F 39118 [0,2,0,0,0,0|2,0,0]=4 710 B12R1.1123 NCCC1=CC(O)=C(O)C=C1O D87854 [0,2,0,0,0,0|1,0,0]=3 711 B12R1.1703 CC1=CC(C)=C([C@@H](N)CN)C=C1 N13753 [0,2,0,0,0,0|0,0,0]=2 712 B12R1.1703 CC1=CC(C)=C([C@@H](N)CN)C=C1 N13754 [0,2,0,0,0,0|0,0,0]=2 713 B12R1.1703 CC1=CC(C)=C([C@@H](N)CN)C=C1 N13755 [0,2,0,0,0,0|0,0,0]=2 714 B12R1.1703 CC1=CC(C)=C([C@@H](N)CN)C=C1 N13768 [0,2,0,0,0,0|0,0,0]=2 715 B12R1.1703 CC1=CC(C)=C([C@@H](N)CN)C=C1 N13769 [0,2,0,0,0,0|0,0,0]=2 716 B12R1.1703 CC1=CC(C)=C([C@@H](O)CN)C=C1 C77862 [0,2,0,0,0,0|0,0,0]=2 717 B12R1.1703 CC1=CC(Cl)=C([C@@H](N)CN)C=C1 N13631 [0,2,0,0,0,0|1,0,0]=3 718 B12R1.1703 CC1=CC(Cl)=C([C@@H](N)CN)C=C1 N13632 [0,2,0,0,0,0|1,0,0]=3 719 B12R1.1703 CC1=CC(Cl)=C([C@@H](N)CN)C=C1 N13633 [0,2,0,0,0,0|1,0,0]=3 720 B12R1.1703 CC1=CC(F)=C([C@@H](N)CN)C=C1 N13557 [0,2,0,0,0,0|1,0,0]=3 721 B12R1.1703 CC1=CC(F)=C([C@@H](N)CN)C=C1 N13558 [0,2,0,0,0,0|1,0,0]=3 722 B12R1.1703 CC1=CC(F)=C([C@@H](N)CN)C=C1 N13559 [0,2,0,0,0,0|1,0,0]=3 723 B12R1.1703 CCC(=O)C1=C(C)C=C(C)C=C1 N12084 [0,2,0,0,0,0|1,0,1]=4 724 B12R1.1703 CCC(=O)C1=C(C)C=C(O)C=C1 91379 [0,2,0,0,0,0|1,0,1]=4 725 B12R1.1703 CC[C@H](N)C1=C(C)C=C(C)C=C1 N12160 [0,2,0,0,0,0|1,0,0]=3 726 B12R1.1703 CC[C@H](N)C1=C(F)C=C(F)C=C1 N10945 [0,2,0,0,0,0|2,0,0]=4 727 B12R1.1703 CC[C@H](N)C1=C(F)C=C(F)C=C1 N11162 [0,2,0,0,0,0|2,0,0]=4 728 B12R1.1703 CC[C@H](O)C1=C(C)C=C(C)C=C1 N14425 [0,2,0,0,0,0|1,0,0]=3 729 B12R1.1703 CC[C@H](O)C1=C(Cl)C=C(Cl)C=C1 N14422 [0,2,0,0,0,0|2,0,0]=4 730 B12R1.1703 CC[C@H](O)C1=C(F)C=C(Br)C=C1 97337 [0,2,0,0,0,0|2,0,0]=4 731 B12R1.1703 CC[C@H](O)C1=C(F)C=C(F)C=C1 N12683 [0,2,0,0,0,0|2,0,0]=4 732 B12R1.1703 NC[C@H](N)C1=C(Cl)C=C(Br)C=C1 N13628 [0,2,0,0,0,0|1,0,0]=3 733 B12R1.1703 NC[C@H](N)C1=C(Cl)C=C(Br)C=C1 N13629 [0,2,0,0,0,0|1,0,0]=3 734 B12R1.1703 NC[C@H](N)C1=C(Cl)C=C(Br)C=C1 N13630 [0,2,0,0,0,0|1,0,0]=3 735 B12R1.1703 NC[C@H](N)C1=C(Cl)C=C(Cl)C=C1 N13577 [0,2,0,0,0,0|1,0,0]=3 736 B12R1.1703 NC[C@H](N)C1=C(Cl)C=C(Cl)C=C1 N13578 [0,2,0,0,0,0|1,0,0]=3 737 B12R1.1703 NC[C@H](N)C1=C(Cl)C=C(Cl)C=C1 N13579 [0,2,0,0,0,0|1,0,0]=3 738 B12R1.1703 NC[C@H](N)C1=C(Cl)C=C(Cl)C=C1 N13580 [0,2,0,0,0,0|1,0,0]=3 739 B12R1.1703 NC[C@H](N)C1=C(Cl)C=C(F)C=C1 N13581 [0,2,0,0,0,0|1,0,0]=3 740 B12R1.1703 NC[C@H](N)C1=C(Cl)C=C(F)C=C1 N13582 [0,2,0,0,0,0|1,0,0]=3 741 B12R1.1703 NC[C@H](N)C1=C(Cl)C=C(F)C=C1 N13583 [0,2,0,0,0,0|1,0,0]=3 742 B12R1.1703 NC[C@H](N)C1=C(Cl)C=C(F)C=C1 N13585 [0,2,0,0,0,0|1,0,0]=3 743 B12R1.1703 NC[C@H](N)C1=C(Cl)C=C(F)C=C1 N13586 [0,2,0,0,0,0|1,0,0]=3 744 B12R1.1703 NC[C@H](N)C1=C(F)C=C(Br)C=C1 N13552 [0,2,0,0,0,0|1,0,0]=3 745 B12R1.1703 NC[C@H](N)C1=C(F)C=C(Br)C=C1 N13553 [0,2,0,0,0,0|1,0,0]=3 746 B12R1.1703 NC[C@H](N)C1=C(F)C=C(Br)C=C1 N13554 [0,2,0,0,0,0|1,0,0]=3 747 B12R1.1703 NC[C@H](N)C1=C(F)C=C(Br)C=C1 N13555 [0,2,0,0,0,0|1,0,0]=3 748 B12R1.1703 NC[C@H](N)C1=C(F)C=C(Br)C=C1 N13556 [0,2,0,0,0,0|1,0,0]=3 749 B12R1.1703 NC[C@H](N)C1=C(F)C=C(Cl)C=C1 N13549 [0,2,0,0,0,0|1,0,0]=3 750 B12R1.1703 NC[C@H](N)C1=C(F)C=C(Cl)C=C1 N13550 [0,2,0,0,0,0|1,0,0]=3 751 B12R1.1703 NC[C@H](N)C1=C(F)C=C(Cl)C=C1 N13551 [0,2,0,0,0,0|1,0,0]=3 752 B12R1.1703 NC[C@H](N)C1=C(F)C=C(F)C=C1 N13546 [0,2,0,0,0,0|1,0,0]=3 753 B12R1.1703 NC[C@H](N)C1=C(F)C=C(F)C=C1 N13547 [0,2,0,0,0,0|1,0,0]=3 754 B12R1.1703 NC[C@H](N)C1=C(F)C=C(F)C=C1 N13548 [0,2,0,0,0,0|1,0,0]=3 755 B12R1.1703 NC[C@H](O)C1=C(Cl)C=C(Cl)C=C1 C78542 [0,2,0,0,0,0|1,0,0]=3 756 B12R1.1703 NC[C@H](O)C1=C(F)C=C(F)C=C1 C78271 [0,2,0,0,0,0|1,0,0]=3 757 B12R1.1703 N[C@@H](CO)C1=C(Br)C=C(F)C=C1 AT10628 [0,2,0,0,0,0|2,0,0]=4 758 B12R1.1703 N[C@@H](CO)C1=C(Br)C=C(F)C=C1 AT10637 [0,2,0,0,0,0|2,0,0]=4 759 B12R1.1703 O[C@@H](CBr)C1=C(Cl)C=C(Cl)C=C1 11639 [0,2,0,0,0,0|2,0,0]=4 760 B12R1.124 CC(=O)[C@H](N)C1=C(C)C=CC=C1 N15524 [0,2,0,0,0,0|1,0,1]=4 761 B12R1.124 CC(C)[C@H](N)C1=C(F)C=CC=C1 N13028 [0,2,0,0,0,0|2,0,0]=4 762 B12R1.124 CC(C)[C@H](N)C1=C(N)C=CC=C1 N13005 [0,2,0,0,0,0|2,0,0]=4 763 B12R1.124 CC(O)C(N)C1=C(Br)C=CC=C1 N15549 [0,2,0,0,0,0|2,0,0]=4 764 B12R1.124 CC(O)C(N)C1=C(Cl)C=CC=C1 N15543 [0,2,0,0,0,0|2,0,0]=4 765 B12R1.124 CC(O)C(N)C1=C(F)C=CC=C1 N15535 [0,2,0,0,0,0|2,0,0]=4 766 B12R1.124 CC(O)C(N)C1=C(O)C=CC=C1 N15626 [0,2,0,0,0,0|2,0,0]=4 767 B12R1.124 CC(O)[C@H](N)C1=C(Cl)C=CC=C1 N15541 [0,2,0,0,0,0|2,0,0]=4 768 B12R1.124 CC(O)[C@H](N)C1=C(F)C=CC=C1 N15534 [0,2,0,0,0,0|2,0,0]=4 769 B12R1.124 CC(O)[C@H](N)C1=C(O)C=CC=C1 N15627 [0,2,0,0,0,0|2,0,0]=4 770 B12R1.124 CC1=C(C(=O)C(C)C)C=CC=C1 N12569 [0,2,0,0,0,0|1,0,1]=4 771 B12R1.124 CC1=C(C(N)C(C)O)C=CC=C1 N15523 [0,2,0,0,0,0|1,0,0]=3 772 B12R1.124 CC1=C([C@@H](N)C(=O)O)C=CC=C1 N12290 [0,2,0,0,0,0|1,0,1]=4 773 B12R1.124 CC1=C([C@@H](N)C(=O)O)C=CC=C1 N12294 [0,2,0,0,0,0|1,0,1]=4 774 B12R1.124 CC1=C([C@@H](N)C(C)C)C=CC=C1 N12591 [0,2,0,0,0,0|1,0,0]=3 775 B12R1.124 CC1=C([C@@H](N)C(C)O)C=CC=C1 N15525 [0,2,0,0,0,0|1,0,0]=3 776 B12R1.124 CC1=C([C@@H](N)[C@@H](C)O)C=CC=C1 N15527 [0,2,0,0,0,0|1,0,0]=3 777 B12R1.124 CC1=C([C@@H](N)[C@@H](C)O)C=CC=C1 N15529 [0,2,0,0,0,0|1,0,0]=3 778 B12R1.124 CC1=C([C@@H](N)[C@H](C)O)C=CC=C1 N15526 [0,2,0,0,0,0|1,0,0]=3 779 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13862 [0,2,0,0,0,0|2,0,0]=4 780 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13863 [0,2,0,0,0,0|2,0,0]=4 781 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13867 [0,2,0,0,0,0|2,0,0]=4 782 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13868 [0,2,0,0,0,0|2,0,0]=4 783 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13869 [0,2,0,0,0,0|2,0,0]=4 784 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15544 [0,2,0,0,0,0|2,0,0]=4 785 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15546 [0,2,0,0,0,0|2,0,0]=4 786 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15537 [0,2,0,0,0,0|2,0,0]=4 787 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15539 [0,2,0,0,0,0|2,0,0]=4 788 B12R1.124 C[C@@H](O)[C@H](N)C1=C(F)C=CC=C1 N15530 [0,2,0,0,0,0|2,0,0]=4 789 B12R1.124 C[C@@H](O)[C@H](N)C1=C(F)C=CC=C1 N15532 [0,2,0,0,0,0|2,0,0]=4 790 B12R1.124 C[C@@H](O)[C@H](N)C1=C(N)C=CC=C1 N16152 [0,2,0,0,0,0|2,0,0]=4 791 B12R1.124 C[C@@H](O)[C@H](N)C1=C(N)C=CC=C1 N16154 [0,2,0,0,0,0|2,0,0]=4 792 B12R1.124 C[C@@H](O)[C@H](N)C1=C(O)C=CC=C1 N15629 [0,2,0,0,0,0|2,0,0]=4 793 B12R1.124 C[C@@H](O)[C@H](N)C1=C(O)C=CC=C1 N15631 [0,2,0,0,0,0|2,0,0]=4 794 B12R1.124 C[C@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15548 [0,2,0,0,0,0|2,0,0]=4 795 B12R1.124 C[C@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15538 [0,2,0,0,0,0|2,0,0]=4 796 B12R1.124 C[C@H](O)[C@H](N)C1=C(F)C=CC=C1 N15531 [0,2,0,0,0,0|2,0,0]=4 797 B12R1.124 C[C@H](O)[C@H](N)C1=C(N)C=CC=C1 N16153 [0,2,0,0,0,0|2,0,0]=4 798 B12R1.124 C[C@H](O)[C@H](N)C1=C(O)C=CC=C1 N15628 [0,2,0,0,0,0|2,0,0]=4 799 B12R1.127 CC1=C(OC(F)F)C=C(Br)C=C1 F18846 [0,2,0,0,0,0|2,0,0]=4 800 B12R1.127 CC1=C(OC(F)F)C=C(Cl)C=C1 F19069 [0,2,0,0,0,0|2,0,0]=4 801 B12R1.127 CC1=C(OC(F)F)C=C(F)C=C1 F19089 [0,2,0,0,0,0|2,0,0]=4 802 B12R1.127 CC1=C(OC(F)F)C=C(I)C=C1 F19091 [0,2,0,0,0,0|2,0,0]=4 803 B12R1.127 C[C@H](N)CC1=C(F)C=CC(F)=C1 N11067 [0,2,0,0,0,0|1,0,0]=3 804 B12R1.127 NC(=O)CC1=C(Br)C=CC(Cl)=C1 AT11065 [0,2,0,0,0,0|1,0,1]=4 805 B12R1.127 NC(=O)CC1=C(F)C=CC(Br)=C1 92705 [0,2,0,0,0,0|1,0,1]=4 806 B12R1.151 NS(=O)(=O)CC1=C(F)C=CC=C1 C90226 [0,2,0,0,0,0|2,0,0]=4 807 B12R1.1009 CC1=CC=CC(Br)=C1OC(F)F F18844 [0,2,0,0,0,0|2,0,0]=4 808 B12R1.1009 CC1=CC=CC(Cl)=C1OC(F)F F19060 [0,2,0,0,0,0|2,0,0]=4 809 B12R1.1009 CC1=CC=CC(F)=C1OC(F)F F19088 [0,2,0,0,0,0|2,0,0]=4 810 B12R1.1009 CC1=CC=CC(I)=C1OC(F)F F19050 [0,2,0,0,0,0|2,0,0]=4 811 B12R1.1009 C[C@H](N)CC1=C(Cl)C=CC=C1Cl N11065 [0,2,0,0,0,0|1,0,0]=3 812 B12R1.270 CCCC1=C(Br)C=CC(C=O)=C1 97132 [0,2,0,0,0,0|2,0,0]=4 813 B12R1.354 CC1=CC(C(=O)NN)=C(C)C=C1 W15991 [0,2,0,0,0,0|1,0,1]=4 814 B12R1.354 CC1=CC([C@@H](N)CN)=C(C)C=C1 N13759 [0,2,0,0,0,0|0,0,0]=2 815 B12R1.354 CC1=CC([C@@H](N)CN)=C(C)C=C1 N13760 [0,2,0,0,0,0|0,0,0]=2 816 B12R1.354 CC1=CC([C@@H](N)CN)=C(C)C=C1 N13761 [0,2,0,0,0,0|0,0,0]=2 817 B12R1.354 CC1=CC([C@@H](N)CN)=C(C)C=C1 N13765 [0,2,0,0,0,0|0,0,0]=2 818 B12R1.354 CC1=CC([C@@H](N)CN)=C(C)C=C1 N13766 [0,2,0,0,0,0|0,0,0]=2 819 B12R1.354 CC1=CC([C@@H](N)CN)=C(C)C=C1 N13767 [0,2,0,0,0,0|0,0,0]=2 820 B12R1.354 CC1=CC([C@@H](N)CN)=C(Cl)C=C1 N13640 [0,2,0,0,0,0|1,0,0]=3 821 B12R1.354 CC1=CC([C@@H](N)CN)=C(Cl)C=C1 N13641 [0,2,0,0,0,0|1,0,0]=3 822 B12R1.354 CC1=CC([C@@H](N)CN)=C(Cl)C=C1 N13642 [0,2,0,0,0,0|1,0,0]=3 823 B12R1.354 CC1=CC([C@@H](N)CN)=C(F)C=C1 N13595 [0,2,0,0,0,0|1,0,0]=3 824 B12R1.354 CC1=CC([C@@H](N)CN)=C(F)C=C1 N13596 [0,2,0,0,0,0|1,0,0]=3 825 B12R1.354 CC1=CC([C@@H](N)CN)=C(F)C=C1 N13597 [0,2,0,0,0,0|1,0,0]=3 826 B12R1.354 CC[C@H](N)C1=C(F)C=CC(F)=C1 N11165 [0,2,0,0,0,0|2,0,0]=4 827 B12R1.354 CC[C@H](N)C1=C(F)C=CC(F)=C1 N12908 [0,2,0,0,0,0|2,0,0]=4 828 B12R1.354 CC[C@H](N)C1=C(O)C=CC(C)=C1 N14793 [0,2,0,0,0,0|2,0,0]=4 829 B12R1.354 CC[C@H](O)C1=C(C)C=CC(C)=C1 N14426 [0,2,0,0,0,0|1,0,0]=3 830 B12R1.354 CC[C@H](O)C1=C(F)C=CC(F)=C1 N14418 [0,2,0,0,0,0|2,0,0]=4 831 B12R1.354 NCC(=O)C1=C(F)C=CC(F)=C1 O10640 [0,2,0,0,0,0|1,0,1]=4 832 B12R1.354 NC[C@H](N)C1=C(Cl)C=CC(Br)=C1 N13699 [0,2,0,0,0,0|1,0,0]=3 833 B12R1.354 NC[C@H](N)C1=C(Cl)C=CC(Br)=C1 N13700 [0,2,0,0,0,0|1,0,0]=3 834 B12R1.354 NC[C@H](N)C1=C(Cl)C=CC(Br)=C1 N13701 [0,2,0,0,0,0|1,0,0]=3 835 B12R1.354 NC[C@H](N)C1=C(Cl)C=CC(Cl)=C1 N13696 [0,2,0,0,0,0|1,0,0]=3 836 B12R1.354 NC[C@H](N)C1=C(Cl)C=CC(Cl)=C1 N13697 [0,2,0,0,0,0|1,0,0]=3 837 B12R1.354 NC[C@H](N)C1=C(Cl)C=CC(Cl)=C1 N13698 [0,2,0,0,0,0|1,0,0]=3 838 B12R1.354 NC[C@H](N)C1=C(F)C=CC(Br)=C1 N13593 [0,2,0,0,0,0|1,0,0]=3 839 B12R1.354 NC[C@H](N)C1=C(F)C=CC(Br)=C1 N13594 [0,2,0,0,0,0|1,0,0]=3 840 B12R1.354 NC[C@H](N)C1=C(F)C=CC(Cl)=C1 N13590 [0,2,0,0,0,0|1,0,0]=3 841 B12R1.354 NC[C@H](N)C1=C(F)C=CC(Cl)=C1 N13591 [0,2,0,0,0,0|1,0,0]=3 842 B12R1.354 NC[C@H](N)C1=C(F)C=CC(Cl)=C1 N13592 [0,2,0,0,0,0|1,0,0]=3 843 B12R1.354 NC[C@H](N)C1=C(F)C=CC(F)=C1 N13584 [0,2,0,0,0,0|1,0,0]=3 844 B12R1.354 NC[C@H](N)C1=C(F)C=CC(F)=C1 N13587 [0,2,0,0,0,0|1,0,0]=3 845 B12R1.354 NC[C@H](N)C1=C(F)C=CC(F)=C1 N13588 [0,2,0,0,0,0|1,0,0]=3 846 B12R1.354 NC[C@H](N)C1=C(F)C=CC(F)=C1 N13589 [0,2,0,0,0,0|1,0,0]=3 847 B12R1.354 NC[C@H](O)C1=C(F)C=CC(F)=C1 C77859 [0,2,0,0,0,0|1,0,0]=3 848 B12R1.354 N[C@@H](CO)C1=C(F)C=CC(F)=C1 N12983 [0,2,0,0,0,0|2,0,0]=4 849 B12R1.195 CC1=C(C(C)(C)C#N)C=CC=C1 74577 [0,2,0,0,0,0|0,0,2]=4 850 B12R1.195 C[C@](N)(CO)C1=C(Cl)C=CC=C1 96073 [0,2,0,0,0,0|2,0,0]=4 851 B12R1.195 OCC(F)(F)C1=C(F)C=CC=C1 AC4058 [0,2,0,0,0,0|2,0,0]=4 852 B12R1.243 CN[C@@H](CO)C1=C(C)C=CC=C1 N12799 [0,2,0,0,0,0|1,0,0]=3 853 B12R1.3441 CC1=CC=CC(C)=C1[C@@H](N)CN N13772 [0,2,0,0,0,0|0,0,0]=2 854 B12R1.3441 CC1=CC=CC(C)=C1[C@@H](N)CN N13773 [0,2,0,0,0,0|0,0,0]=2 855 B12R1.3441 CC1=CC=CC(C)=C1[C@@H](N)CN N13774 [0,2,0,0,0,0|0,0,0]=2 856 B12R1.3441 CC1=CC=CC(C)=C1[C@@H](N)CN N13775 [0,2,0,0,0,0|0,0,0]=2 857 B12R1.3441 CC1=CC=CC(C)=C1[C@@H](N)CN N13776 [0,2,0,0,0,0|0,0,0]=2 858 B12R1.3441 CC1=CC=CC(F)=C1[C@@H](N)CN N13617 [0,2,0,0,0,0|0,0,0]=2 859 B12R1.3441 CC1=CC=CC(F)=C1[C@@H](N)CN N13618 [0,2,0,0,0,0|0,0,0]=2 860 B12R1.3441 CC1=CC=CC(F)=C1[C@@H](N)CN N13619 [0,2,0,0,0,0|0,0,0]=2 861 B12R1.3441 CCC(=O)C1=C(C)C=CC=C1C N14109 [0,2,0,0,0,0|1,0,1]=4 862 B12R1.3441 CCC(=O)C1=C(F)C=CC=C1C N14043 [0,2,0,0,0,0|1,0,1]=4 863 B12R1.3441 CC[C@H](N)C1=C(F)C=CC=C1F E71897 [0,2,0,0,0,0|2,0,0]=4 864 B12R1.3441 CC[C@H](O)C1=C(C)C=CC=C1C N14427 [0,2,0,0,0,0|1,0,0]=3 865 B12R1.3441 CC[C@H](O)C1=C(Cl)C=CC=C1Cl N12880 [0,2,0,0,0,0|2,0,0]=4 866 B12R1.3441 CC[C@H](O)C1=C(F)C=CC=C1F N14419 [0,2,0,0,0,0|2,0,0]=4 867 B12R1.3441 NC[C@H](N)C1=C(Br)C=CC=C1F N13614 [0,2,0,0,0,0|1,0,0]=3 868 B12R1.3441 NC[C@H](N)C1=C(Br)C=CC=C1F N13615 [0,2,0,0,0,0|1,0,0]=3 869 B12R1.3441 NC[C@H](N)C1=C(Br)C=CC=C1F N13616 [0,2,0,0,0,0|1,0,0]=3 870 B12R1.3441 NC[C@H](N)C1=C(Br)C=NC=C1Br N14948 [0,2,0,0,0,0|2,0,0]=4 871 B12R1.3441 NC[C@H](N)C1=C(Cl)C=CC=C1Cl N13647 [0,2,0,0,0,0|1,0,0]=3 872 B12R1.3441 NC[C@H](N)C1=C(Cl)C=CC=C1Cl N13649 [0,2,0,0,0,0|1,0,0]=3 873 B12R1.3441 NC[C@H](N)C1=C(Cl)C=CC=C1Cl N13650 [0,2,0,0,0,0|1,0,0]=3 874 B12R1.3441 NC[C@H](N)C1=C(Cl)C=CC=C1Cl N13651 [0,2,0,0,0,0|1,0,0]=3 875 B12R1.3441 NC[C@H](N)C1=C(Cl)C=CC=C1F N13609 [0,2,0,0,0,0|1,0,0]=3 876 B12R1.3441 NC[C@H](N)C1=C(Cl)C=CC=C1F N13610 [0,2,0,0,0,0|1,0,0]=3 877 B12R1.3441 NC[C@H](N)C1=C(Cl)C=CC=C1F N13611 [0,2,0,0,0,0|1,0,0]=3 878 B12R1.3441 NC[C@H](N)C1=C(Cl)C=CC=C1F N13612 [0,2,0,0,0,0|1,0,0]=3 879 B12R1.3441 NC[C@H](N)C1=C(Cl)C=CC=C1F N13613 [0,2,0,0,0,0|1,0,0]=3 880 B12R1.3441 NC[C@H](N)C1=C(F)C=CC=C1F N12940 [0,2,0,0,0,0|1,0,0]=3 881 B12R1.3441 NC[C@H](N)C1=C(F)C=CC=C1F N13604 [0,2,0,0,0,0|1,0,0]=3 882 B12R1.3441 NC[C@H](N)C1=C(F)C=CC=C1F N13607 [0,2,0,0,0,0|1,0,0]=3 883 B12R1.3441 NC[C@H](N)C1=C(F)C=CC=C1F N13608 [0,2,0,0,0,0|1,0,0]=3 884 B10R2.6 C1=CC(C2CC2)=CC=N1 59829 [1,0,0,1,0,0|2,0,0]=4 885 B10R2.7 C1=CC2=C(C=C1)SCO2 76474 [1,0,0,1,0,0|2,0,0]=4 886 B10R2.7 C1=CC2=C(C=C1)SCS2 D71935 [1,0,0,1,0,0|2,0,0]=4 887 B10R2.7 C1=CN=C2NCCC2=C1 C13729 [1,0,0,1,0,0|1,0,0]=3 888 B10R2.7 C1=CN=C2NCCC2=N1 P20982 [1,0,0,1,0,0|2,0,0]=4 889 B10R2.7 C1=NC=C2CCNC2=N1 93647 [1,0,0,1,0,0|2,0,0]=4 890 B10R2.7 C1=NC=C2CCNC2=N1 C90715 [1,0,0,1,0,0|2,0,0]=4 891 B10R2.320 N[C@H]1CC2=C1C=CC=C2 AT20398 [1,0,0,1,0,0|0,0,0]=2 892 B12R2.81 CC1=C(Br)C=NC=C1C2CC2 81977 [0,1,0,1,0,0|2,0,0]=4 893 B12R2.81 FC1=C(Cl)C=CC=C1C2CC2 AC9620 [0,1,0,1,0,0|2,0,0]=4 894 B12R2.82 CC1=C(N)C=CC2=C1C=CN2 51990 [0,1,0,1,0,0|0,0,2]=4 895 B12R2.82 NC1=C(Br)C=CC2=C1CCC2 AT13423 [0,1,0,1,0,0|2,0,0]=4 896 B12R2.82 NC1=C(Br)C=CC2=C1CCC2 E72233 [0,1,0,1,0,0|2,0,0]=4 897 B12R2.202 CC1=CC2=C(C=CC=C2C)N1 C14038 [0,1,0,1,0,0|0,0,2]=4 898 B12R2.202 CC1=CC=CC2=C1N=C(N)O2 AC7423 [0,1,0,1,0,0|1,0,1]=4 899 B12R2.202 CC1=CC=CC2=C1N=C(N)S2 F13741 [0,1,0,1,0,0|1,0,1]=4 900 B12R2.202 NC1=CC=CC2=C1CC(=O)C2 53595 [0,1,0,1,0,0|1,0,1]=4 901 B12R2.1081 BrC1=C2OCCNC2=CC=C1 D96169 [0,1,0,1,0,0|1,0,0]=3 902 B12R2.1081 BrC1=C2SCCNC2=CC=C1 69222 [0,1,0,1,0,0|1,0,0]=3 903 B12R2.1081 C=C1CCCC2=C1C=CC=C2 D87874 [0,1,0,1,0,0|1,0,1]=4 904 B12R2.1081 CC1=C2CNCCC2=NC=N1 C16784 [0,1,0,1,0,0|2,0,0]=4 905 B12R2.1081 CC1=C2CNCCC2=NC=N1 SC2281 [0,1,0,1,0,0|2,0,0]=4 906 B12R2.1081 CC1=CC=CC2=C1CCOC2 N14603 [0,1,0,1,0,0|1,0,0]=3 907 B12R2.1081 CC1=CC=CC2=C1NCCO2 AC7135 [0,1,0,1,0,0|1,0,0]=3 908 B12R2.1081 CC1=CC=CC2=C1OCCO2 AC8962 [0,1,0,1,0,0|1,0,0]=3 909 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 71815 [0,1,0,1,0,0|0,0,0]=2 910 B12R2.1081 ClC1=C2CCCNC2=CC=C1 N14207 [0,1,0,1,0,0|1,0,0]=3 911 B12R2.1081 ClC1=C2CCNCC2=CC=C1 24212 [0,1,0,1,0,0|0,0,0]=2 912 B12R2.1081 ClC1=C2CCOCC2=CC=C1 N14602 [0,1,0,1,0,0|1,0,0]=3 913 B12R2.1081 ClC1=C2NCCSC2=CC=C1 72679 [0,1,0,1,0,0|2,0,0]=4 914 B12R2.1081 ClC1=C2SCCNC2=CC=C1 72678 [0,1,0,1,0,0|1,0,0]=3 915 B12R2.1081 ClC1=NC=CC2=C1CCNC2 F53692 [0,1,0,1,0,0|1,0,0]=3 916 B12R2.1081 ClC1=NC=NC2=C1CCNC2 70943 [0,1,0,1,0,0|2,0,0]=4 917 B12R2.1081 ClC1=NC=NC2=C1CCNC2 AC5242 [0,1,0,1,0,0|2,0,0]=4 918 B12R2.1081 ClC1=NC=NC2=C1CNCC2 82104 [0,1,0,1,0,0|2,0,0]=4 919 B12R2.1081 Cl[C@H]1CCCC2=C1C=CC=C2 A11734 [0,1,0,1,0,0|1,0,0]=3 920 B12R2.1081 Cl[C@H]1CCCC2=CC=CN=C21 P16790 [0,1,0,1,0,0|2,0,0]=4 921 B12R2.1081 FC1=C2CCOCC2=CC=C1 N14601 [0,1,0,1,0,0|1,0,0]=3 922 B12R2.1081 FC1=C2NCCOC2=CC=C1 90425 [0,1,0,1,0,0|2,0,0]=4 923 B12R2.1081 NC1=C2CCCCC2=CN=C1 F13768 [0,1,0,1,0,0|2,0,0]=4 924 B12R2.1081 NC1=C2CNCCC2=CC=C1 C10171 [0,1,0,1,0,0|0,0,0]=2 925 B12R2.1081 NC1=CC=CC2=C1NCCO2 80851 [0,1,0,1,0,0|2,0,0]=4 926 B12R2.1081 N[C@H]1CCCC2=C1C=NC=C2 F13769 [0,1,0,1,0,0|2,0,0]=4 927 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 22992 [0,1,0,1,0,0|2,0,0]=4 928 B12R2.1081 N[C@H]1CSCC2=C1C=CC=C2 SC2891 [0,1,0,1,0,0|1,0,0]=3 929 B12R2.1081 O=C1CNCC2=C1C=CC=C2 F12400 [0,1,0,1,0,0|0,0,1]=3 930 B12R2.1081 O=C1NC=NC2=C1CCNC2 F21479 [0,1,0,1,0,0|2,0,0]=4 931 B12R2.1081 O=C1NCCC2=C1C=CN=C2 D84896 [0,1,0,1,0,0|1,0,1]=4 932 B12R2.1081 O=C1NN=CC2=C1CCNC2 84330 [0,1,0,1,0,0|2,0,0]=4 933 B12R2.1081 OC1=C2CCNCC2=CC=C1 20736 [0,1,0,1,0,0|0,0,0]=2 934 B12R2.1081 OC1=C2CNCCC2=CC=C1 AT24057 [0,1,0,1,0,0|0,0,0]=2 935 B12R2.1081 OC1=C2CNCCC2=CC=C1 C15586 [0,1,0,1,0,0|0,0,0]=2 936 B12R2.1081 OC1=C2OCCCC2=CC=C1 76490 [0,1,0,1,0,0|2,0,0]=4 937 B12R2.1081 OC1=CC=NC2=C1OCCN2 F52364 [0,1,0,1,0,0|2,0,0]=4 938 B12R2.1081 OC1=NC=CC2=C1CNCC2 F53632 [0,1,0,1,0,0|1,0,0]=3 939 B12R2.1081 O[C@H]1CCCC2=C1C=CC=N2 90007 [0,1,0,1,0,0|2,0,0]=4 940 B12R2.1081 O[C@H]1CCCC2=CC=CN=C21 AC7539 [0,1,0,1,0,0|2,0,0]=4 941 B12R2.1081 O[C@H]1CNCC2=C1C=CC=C2 95583 [0,1,0,1,0,0|0,0,0]=2 942 B12R2.1081 O[C@H]1CNCC2=C1C=CC=C2 F13197 [0,1,0,1,0,0|0,0,0]=2 943 B12R2.24 BrC1=CC2=C(C=C1)CCN=C2 AT22654 [0,1,0,1,0,0|0,0,2]=4 944 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 C13599 [0,1,0,1,0,0|1,0,0]=3 945 B12R2.24 Br[C@H]1CCC2=C(C=CC=C2)C1 F13406 [0,1,0,1,0,0|1,0,0]=3 946 B12R2.24 CC1=CC2=C(C=C1)CNCC2 C15799 [0,1,0,1,0,0|0,0,0]=2 947 B12R2.24 CC1=CC2=C(C=CC=C2)CN1 F12577 [0,1,0,1,0,0|0,0,2]=4 948 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 F50994 [0,1,0,1,0,0|1,0,0]=3 949 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 12711 [0,1,0,1,0,0|0,0,0]=2 950 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 C74526 [0,1,0,1,0,0|0,0,0]=2 951 B12R2.24 C[C@H]1CSC2=C(C=CC=C2)N1 W10084 [0,1,0,1,0,0|2,0,0]=4 952 B12R2.24 ClC1=CC2=C(C=C1)CCCC2 Y10725 [0,1,0,1,0,0|1,0,0]=3 953 B12R2.24 ClC1=CC2=C(C=C1)COCC2 N14606 [0,1,0,1,0,0|1,0,0]=3 954 B12R2.24 ClC1=CN=C2CCNCC2=C1 D87527 [0,1,0,1,0,0|1,0,0]=3 955 B12R2.24 ClC1=NN=C2CCNCC2=C1 98322 [0,1,0,1,0,0|2,0,0]=4 956 B12R2.24 FC1=CC2=C(C=C1)CCNC2 76409 [0,1,0,1,0,0|0,0,0]=2 957 B12R2.24 FC1=CC2=C(C=C1)COCC2 N14605 [0,1,0,1,0,0|1,0,0]=3 958 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 F20762 [0,1,0,1,0,0|0,0,0]=2 959 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F13193 [0,1,0,1,0,0|0,0,0]=2 960 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F18883 [0,1,0,1,0,0|0,0,0]=2 961 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F18889 [0,1,0,1,0,0|0,0,0]=2 962 B12R2.24 O=C1CC2=C(C=NC=C2)CN1 86461 [0,1,0,1,0,0|1,0,1]=4 963 B12R2.24 O=C1COC2=C(C=CC=C2)C1 F53084 [0,1,0,1,0,0|1,0,1]=4 964 B12R2.24 O[C@H]1CCC2=C(C=CC=N2)C1 D78688 [0,1,0,1,0,0|2,0,0]=4 965 B12R2.32 CNC1CC2=C(C=CC=C2)C1 D86972 [0,1,0,1,0,0|0,0,0]=2 966 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 AC1020 [0,1,0,1,0,0|1,0,1]=4 967 B12R2.32 NCC1=NC2=C(C=CC=C2)O1 20190 [0,1,0,1,0,0|1,0,1]=4 968 B12R2.196 CC1=C2OC[C@H](N)C2=CC=C1 N11245 [0,1,0,1,0,0|0,0,0]=2 969 B12R2.196 CC1=C2OC[C@H](N)C2=CC=C1 N16519 [0,1,0,1,0,0|0,0,0]=2 970 B12R2.196 CC1=C2OC[C@H](N)C2=CC=C1 N16520 [0,1,0,1,0,0|0,0,0]=2 971 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N N10987 [0,1,0,1,0,0|0,0,0]=2 972 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N N10988 [0,1,0,1,0,0|0,0,0]=2 973 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N N10989 [0,1,0,1,0,0|0,0,0]=2 974 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N N12838 [0,1,0,1,0,0|0,0,0]=2 975 B12R2.196 CC1=CC=CC2=C1OCC2=O 32296 [0,1,0,1,0,0|1,0,1]=4 976 B12R2.196 CN1CCC2=C(Br)C=CN=C21 F12668 [0,1,0,1,0,0|2,0,0]=4 977 B12R2.196 CN1CCC2=C1C=CC=C2N AC8036 [0,1,0,1,0,0|1,0,0]=3 978 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 Y11667 [0,1,0,1,0,0|1,0,0]=3 979 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 F16929 [0,1,0,1,0,0|1,0,0]=3 980 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 N10489 [0,1,0,1,0,0|1,0,0]=3 981 B12R2.196 N[C@H]1COC2=C(Br)C=CC=C21 F16955 [0,1,0,1,0,0|1,0,0]=3 982 B12R2.196 N[C@H]1COC2=C(Br)C=CC=C21 F17000 [0,1,0,1,0,0|1,0,0]=3 983 B12R2.196 N[C@H]1COC2=C(Cl)C=CC=C21 59816 [0,1,0,1,0,0|1,0,0]=3 984 B12R2.196 N[C@H]1COC2=C(Cl)C=CC=C21 F16958 [0,1,0,1,0,0|1,0,0]=3 985 B12R2.196 N[C@H]1COC2=C(F)C=CC=C21 D81329 [0,1,0,1,0,0|1,0,0]=3 986 B12R2.225 BrC1=C(NC2CC2)C=CC=C1 AT17125 [0,1,0,1,0,0|2,0,0]=4 987 B12R2.225 BrC1=C(SC2CC2)C=CC=C1 AT20841 [0,1,0,1,0,0|2,0,0]=4 988 B12R2.225 FC1=C(OC2CC2)C=CC=C1 AT21296 [0,1,0,1,0,0|2,0,0]=4 989 B12R2.225 IC1=C(OC2CC2)C=CC=C1 F53780 [0,1,0,1,0,0|2,0,0]=4 990 B12R2.517 BrC1=C(C2CNC2)C=CC=C1 85614 [0,1,0,1,0,0|1,0,0]=3 991 B12R2.517 FC1=C(C2CNC2)C=CC=C1 85610 [0,1,0,1,0,0|1,0,0]=3 992 B12R2.1 CN[C@H]1CCC2=C1C=CC=C2 AT22267 [0,1,0,1,0,0|2,0,0]=4 993 B12R2.1 N#C[C@H]1CCC2=C1C=CC=C2 81813 [0,1,0,1,0,0|0,0,2]=4 994 B12R2.1 NCC1=CNC2=C1C=CC=C2 C80078 [0,1,0,1,0,0|0,0,2]=4 995 B12R2.1 NCC1=COC2=C1C=CC=C2 AC4652 [0,1,0,1,0,0|0,0,2]=4 996 B12R2.1 NC[C@H]1CCC2=C1C=CC=C2 20176 [0,1,0,1,0,0|0,0,0]=2 997 B12R2.1 NC[C@H]1CCC2=CC=CN=C21 C77541 [0,1,0,1,0,0|1,0,0]=3 998 B12R2.1 NC[C@H]1CNC2=C1C=CC=C2 AC7339 [0,1,0,1,0,0|0,0,0]=2 999 B12R2.1 O=C[C@@H]1CCC2=C1C=CC=C2 D78606 [0,1,0,1,0,0|1,0,1]=4 1000 B12R2.1 OC[C@H]1CCC2=C1C=CC=C2 AC3163 [0,1,0,1,0,0|1,0,0]=3 1001 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 64263 [0,1,0,1,0,0|0,0,2]=4 1002 B12R2.18 N[C@H]1CC2=C(C=CC=C2)C1=O 66097 [0,1,0,1,0,0|0,0,1]=3 1003 B12R2.315 CCC1=CC=CC2=C1C=CN2 F18194 [0,1,0,1,0,0|0,0,2]=4 1004 B12R2.315 CNC1=CC=CC2=C1C=NN2 P18752 [0,1,0,1,0,0|1,0,1]=4 1005 B12R2.315 COC1=C2CCCC2=CC=C1 C15321 [0,1,0,1,0,0|1,0,0]=3 1006 B12R2.315 COC1=C2CCCC2=NC=C1 97220 [0,1,0,1,0,0|2,0,0]=4 1007 B12R2.315 COC1=C2OCOC2=CC=C1 F51131 [0,1,0,1,0,0|2,0,0]=4 1008 B12R2.315 N#CC1=C2CCCC2=CC=C1 AT17195 [0,1,0,1,0,0|1,0,1]=4 1009 B12R2.315 NCC1=CC=CC2=C1CCN2 F17823 [0,1,0,1,0,0|0,0,0]=2 1010 B12R2.315 O=CC1=C2CCCC2=CC=C1 N10682 [0,1,0,1,0,0|1,0,1]=4 1011 B12R2.315 O=CC1=C2CCCC2=CC=C1 Y10694 [0,1,0,1,0,0|1,0,1]=4 1012 B12R2.2048 COC1=C(C2CC2)C=CC=C1 AC8615 [0,1,0,1,0,0|1,0,0]=3 1013 B12R2.2048 NCC1=C(C2CC2)C=CC=C1 26242 [0,1,0,1,0,0|1,0,0]=3 1014 B12R2.2048 NCC1=NC=CC=C1C2CC2 C91069 [0,1,0,1,0,0|2,0,0]=4 1015 B12R2.2048 SCC1=C(C2CC2)C=CC=C1 AT13698 [0,1,0,1,0,0|1,0,0]=3 1016 B12R2.246 CC1=C2N=CNC2=CC(Br)=C1 W10485 [0,1,0,1,0,0|1,0,1]=4 1017 B12R2.246 CC1=CC(Cl)=NC2=C1CCC2 W18956 [0,1,0,1,0,0|2,0,0]=4 1018 B12R2.246 FC1=CC(F)=C2CCNC2=C1 88121 [0,1,0,1,0,0|1,0,0]=3 1019 B12R2.606 NC1=CC2=C(C=C1)C[C@H](O)C2 94670 [0,1,0,1,0,0|1,0,0]=3 1020 B12R2.606 N[C@H]1CC2=C(C=C(Cl)C=C2)C1 C16302 [0,1,0,1,0,0|0,0,0]=2 1021 B12R2.606 N[C@H]1CC2=C(C=C(F)C=C2)C1 Y10225 [0,1,0,1,0,0|0,0,0]=2 1022 B12R2.606 N[C@H]1CC2=C(C=C(I)C=C2)C1 25202 [0,1,0,1,0,0|0,0,0]=2 1023 B12R2.606 N[C@H]1CC2=C(C=C(I)C=C2)C1 36607 [0,1,0,1,0,0|0,0,0]=2 1024 B12R2.606 OC1=CC2=C(C=C1)C[C@H](O)C2 F53501 [0,1,0,1,0,0|1,0,0]=3 1025 B12R2.1317 CC1=CC(C)=C(C2CC2)C=C1 AC9569 [0,1,0,1,0,0|1,0,0]=3 1026 B12R2.1317 FC1=CC(F)=C(C2CC2)C=C1 AC9452 [0,1,0,1,0,0|2,0,0]=4 1027 B12R2.1317 NC1=C(C2CC2)C=CC(Cl)=C1 AC9037 [0,1,0,1,0,0|2,0,0]=4 1028 B12R2.221 CC1=C2C=CNC2=C(C)C=C1 I11443 [0,1,0,1,0,0|0,0,2]=4 1029 B12R2.221 NC1=C2CCCC2=C(Br)C=C1 93743 [0,1,0,1,0,0|2,0,0]=4 1030 B12R2.221 OC1=C2CCCC2=C(Br)C=C1 AT25822 [0,1,0,1,0,0|2,0,0]=4 1031 B12R2.221 OC1=C2CCCC2=C(F)C=C1 N14302 [0,1,0,1,0,0|2,0,0]=4 1032 B12R2.1316 CC1=C(C2CC2)C=C(N)C=C1 AC9568 [0,1,0,1,0,0|1,0,0]=3 1033 B12R2.1316 CC1=CC(C2CC2)=C(C)C=C1 AC9678 [0,1,0,1,0,0|1,0,0]=3 1034 B12R2.1316 FC1=C(C2CC2)C=C(Cl)C=C1 AC8512 [0,1,0,1,0,0|2,0,0]=4 1035 B12R2.1316 NC1=C(C2CC2)C=C(F)C=C1 AC3387 [0,1,0,1,0,0|2,0,0]=4 1036 B12R2.1316 OC1=C(C2CC2)C=C(Br)C=C1 97770 [0,1,0,1,0,0|2,0,0]=4 1037 B12R2.88 C[C@@]1(C2=C(Cl)C=CC=C2)CO1 C11096 [0,1,0,1,0,0|2,0,0]=4 1038 B12R2.88 NC1(C2=C(Cl)C=CC=C2)CC1 28118 [0,1,0,1,0,0|2,0,0]=4 1039 B12R2.88 NC1(C2=C(Cl)C=CC=C2)CC1 32750 [0,1,0,1,0,0|2,0,0]=4 1040 B12R2.88 OC1(C2=C(Br)C=CC=C2)CC1 AT23530 [0,1,0,1,0,0|2,0,0]=4 1041 B12R2.203 CC1=C2C(=CC=C1)NN=C2Cl F18554 [0,1,0,1,0,0|1,0,1]=4 1042 B12R2.203 CC1=C2C(=CC=C1)NN=C2O F18288 [0,1,0,1,0,0|1,0,1]=4 1043 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y12096 [0,1,0,1,0,0|2,0,0]=4 1044 B12R2.203 N[C@H]1COC2=CC=CC(Br)=C21 N11252 [0,1,0,1,0,0|2,0,0]=4 1045 B12R2.203 N[C@H]1COC2=CC=CC(Br)=C21 N11253 [0,1,0,1,0,0|2,0,0]=4 1046 B12R2.203 N[C@H]1COC2=CC=CC(Cl)=C21 N11259 [0,1,0,1,0,0|2,0,0]=4 1047 B12R2.203 N[C@H]1COC2=CC=CC(Cl)=C21 N16516 [0,1,0,1,0,0|2,0,0]=4 1048 B12R2.203 O[C@H]1CSC2=CC=CC(Br)=C21 D76237 [0,1,0,1,0,0|2,0,0]=4 1049 B12R2.240 CC1=CC=CC(C)=C1C2CC2 AC8319 [0,1,0,1,0,0|1,0,0]=3 1050 B12R2.240 ClC1=CC=CC(Cl)=C1C2CC2 AC8509 [0,1,0,1,0,0|2,0,0]=4 1051 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 F51253 [0,0,0,2,0,0|1,0,0]=3 1052 B8R1.8 BrCCC1=CC=CS1 F20027 [1,0,0,0,1,0|2,0,0]=4 1053 B8R1.8 NCCC1=CN=CN1 S10979 [1,0,0,0,1,0|2,0,0]=4 1054 B8R1.8 NCCC1=CNN=C1 AC1363 [1,0,0,0,1,0|2,0,0]=4 1055 B8R1.8 NCCC1=CNN=C1 D85886 [1,0,0,0,1,0|2,0,0]=4 1056 B8R1.8 NCCC1=COC=N1 AT18667 [1,0,0,0,1,0|2,0,0]=4 1057 B8R1.8 NCCC1=NC=CS1 F51904 [1,0,0,0,1,0|2,0,0]=4 1058 B8R1.8 NCCC1=NNC=C1 AC2815 [1,0,0,0,1,0|2,0,0]=4 1059 B8R1.8 NCCN1C=CC=N1 AT10968 [1,0,0,0,1,0|2,0,0]=4 1060 B8R1.8 NNCC1=CC=CS1 P10519 [1,0,0,0,1,0|2,0,0]=4 1061 B8R1.8 NNCC1=CSC=C1 P10771 [1,0,0,0,1,0|2,0,0]=4 1062 B8R1.11 CC1=C(CN)C=CO1 AT17524 [1,0,0,0,1,0|1,0,0]=3 1063 B8R1.11 CC1=C(CN)C=CO1 AT17541 [1,0,0,0,1,0|1,0,0]=3 1064 B8R1.11 CC1=C(CN)C=CS1 AT16801 [1,0,0,0,1,0|1,0,0]=3 1065 B8R1.11 CC1=C(CN)C=NO1 72465 [1,0,0,0,1,0|2,0,0]=4 1066 B8R1.11 CC1=C(CN)C=NO1 W10068 [1,0,0,0,1,0|2,0,0]=4 1067 B8R1.11 CC1=C(CN)N=CN1 AT15470 [1,0,0,0,1,0|2,0,0]=4 1068 B8R1.11 CC1=C(CN)N=CO1 AT18605 [1,0,0,0,1,0|2,0,0]=4 1069 B8R1.11 CC1=C(CN)NC=N1 F19544 [1,0,0,0,1,0|2,0,0]=4 1070 B8R1.11 CC1=C(CN)OC=C1 AT17196 [1,0,0,0,1,0|1,0,0]=3 1071 B8R1.11 CC1=C(CN)OC=N1 AT18687 [1,0,0,0,1,0|2,0,0]=4 1072 B8R1.11 CC1=C(CN)SC=C1 71361 [1,0,0,0,1,0|1,0,0]=3 1073 B8R1.11 CC1=CSC=C1CN AT16790 [1,0,0,0,1,0|1,0,0]=3 1074 B8R1.11 CCN1C=CN=C1C F16031 [1,0,0,0,1,0|2,0,0]=4 1075 B8R1.11 CN1C=CN=C1CN AT15625 [1,0,0,0,1,0|2,0,0]=4 1076 B8R1.11 COC1=C(C)C=CS1 91670 [1,0,0,0,1,0|2,0,0]=4 1077 B8R1.11 C[S@H]1C=CC=C1CN AT17306 [1,0,0,0,1,0|1,0,0]=3 1078 B8R1.11 NCC1=C(Br)C=CS1 P10346 [1,0,0,0,1,0|2,0,0]=4 1079 B8R1.11 NCC1=CSC=C1Br AT16740 [1,0,0,0,1,0|2,0,0]=4 1080 B8R1.11 NCC1=CSC=C1Cl AT16880 [1,0,0,0,1,0|2,0,0]=4