0 B7R1.1 C#CC1=CC=CO1 4045318 [0,0,0,0,0,0|0,0,2]=2 1 B7R1.1 C1=NC=C(CO)S1 4050354 [0,0,0,0,0,0|2,1,0]=3 2 B7R1.1 CCC1C=CCN1 4090190 [0,0,0,0,0,0|1,0,2]=3 3 B7R1.1 CCN1C=CC=N1 3020409 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.1 ClCC1=CN=CS1 4089081 [0,0,0,0,0,0|2,1,0]=3 5 B7R1.1 ClCC1=CNC=N1 4089538 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.1 ClCC1=CSC=N1 4089258 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.1 ClCC1=NC=CS1 4089816 [0,0,0,0,0,0|2,1,0]=3 8 B7R1.1 ClCC1=NNC=N1 6604383 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.1 ClCC1=NOC=N1 3003095 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.1 NCC1=CC=NN1 4088066 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.1 NCC1=NC=CN1 4089830 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.1 NCC1=NN=CO1 4042037 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.1 NCC1=NOC=C1 2102253 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.1 NCC1=NOC=C1 4088492 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.1 NCC1=NOC=N1 4088690 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.1 O=CC1=CC=NS1 4030495 [0,0,0,0,0,0|2,1,1]=4 17 B7R1.1 OCC1=CNN=N1 4003329 [0,0,0,0,0,0|4,0,0]=4 18 B7R1.1 OCC1=NC=NO1 4043622 [0,0,0,0,0,0|3,0,0]=3 19 B6R1.2 BrC1=CC=NS1 4047938 [1,0,0,0,0,0|2,1,0]=4 20 B6R1.2 IC1=CC=NS1 4075854 [1,0,0,0,0,0|2,1,0]=4 21 B6R1.2 NC1=NNC=C1 3002058 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.1 CC1=CC(CN)=NO1 4003548 [0,1,0,0,0,0|3,0,0]=4 23 B8R1.1 CC1=CNC(C=O)=C1 4036719 [0,1,0,0,0,0|2,0,1]=4 24 B8R1.1 CC1=CSC(CCl)=N1 4089233 [0,1,0,0,0,0|2,1,0]=4 25 B8R1.1 CC1=NC(CCl)=CO1 4038462 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.1 CC1=NC(CCl)=CS1 4089600 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.1 CC1=NN=C(CN)O1 4090166 [0,1,0,0,0,0|3,0,0]=4 28 B8R1.1 CC1=NNC(CN)=C1 4090142 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.1 CCC1=CSC(N)=N1 4034888 [0,1,0,0,0,0|2,0,0]=3 30 B8R1.1 CCC1=CSC(N)=N1 4090225 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.1 CCC1=NC(N)=NO1 4014409 [0,1,0,0,0,0|2,0,0]=3 32 B8R1.1 CCC1=NC=C(Br)S1 4041002 [0,1,0,0,0,0|1,1,0]=3 33 B8R1.1 CCC1=NC=C(Br)S1 4088439 [0,1,0,0,0,0|1,1,0]=3 34 B8R1.1 CCN1C=C(N)C=N1 4087911 [0,1,0,0,0,0|2,0,0]=3 35 B8R1.1 CCN1C=C(N)C=N1 4089653 [0,1,0,0,0,0|2,0,0]=3 36 B8R1.1 CCN1C=C(N)N=N1 4088511 [0,1,0,0,0,0|3,0,0]=4 37 B8R1.1 CCN1C=NC(N)=N1 4088619 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.1 CNC1=NC=C(Br)S1 4039821 [0,1,0,0,0,0|2,1,0]=4 39 B8R1.1 OCC1=CSC(Br)=N1 4088989 [0,1,0,0,0,0|3,0,0]=4 40 B8R1.7 CC(C)C1=CC=NN1 4040291 [0,1,0,0,0,0|2,0,0]=3 41 B8R1.7 CC(N)C1=NC=CS1 4087749 [0,1,0,0,0,0|1,1,0]=3 42 B8R1.7 CC(N)C1=NC=NN1 4089755 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.7 C[C@@H](N)C1=NC=CS1 4104338 [0,1,0,0,0,0|1,1,0]=3 44 B8R1.7 C[C@H](N)C1=NC=CS1 4093303 [0,1,0,0,0,0|1,1,0]=3 45 B8R1.7 N=C(N)C1=CC=CO1 4088503 [0,1,0,0,0,0|1,0,1]=3 46 B8R1.8 BrCCN1C=NC=N1 4089347 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.8 CCCC1=NNC=N1 4089398 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.8 CNCC1=CC=CS1 4087952 [0,1,0,0,0,0|0,1,0]=2 49 B8R1.8 CNCC1=CC=NN1 4088708 [0,1,0,0,0,0|2,0,0]=3 50 B8R1.8 CNCC1=CSC=N1 4088415 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.8 CNCC1=NC=CN1 4088413 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.8 CNCC1=NC=CS1 4090726 [0,1,0,0,0,0|1,1,0]=3 53 B8R1.8 CNCC1=NOC=C1 2102254 [0,1,0,0,0,0|2,0,0]=3 54 B8R1.8 ClCCC1=CNN=C1 4090809 [0,1,0,0,0,0|3,0,0]=4 55 B8R1.8 ClCCC1=NC=CN1 4090066 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.8 NCCC1=CC=CO1 4087953 [0,1,0,0,0,0|0,0,0]=1 57 B8R1.8 NCCC1=CC=CS1 3020071 [0,1,0,0,0,0|0,1,0]=2 58 B8R1.8 NCCC1=CNN=C1 4087965 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.8 NCCC1=CSC=N1 4090876 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.8 NCCN1C=CN=C1 4090168 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.8 NNCC1=CC=CS1 4088418 [0,1,0,0,0,0|1,1,0]=3 62 B8R1.8 OCCC1=CC=CO1 4039978 [0,1,0,0,0,0|0,0,0]=1 63 B8R1.11 CC1=C(CBr)SC=N1 4089692 [0,1,0,0,0,0|2,1,0]=4 64 B8R1.11 CC1=C(CCl)N=CN1 4090770 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.11 CC1=C(CN)NC=N1 4091171 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.11 CC1=C(CN)SC=C1 4088805 [0,1,0,0,0,0|1,1,0]=3 67 B8R1.11 CC1=C(CO)N=CS1 4091170 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.11 CCN1C=CN=C1Br 4088617 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.11 CCN1N=CN=C1N 4088125 [0,1,0,0,0,0|3,0,0]=4 70 B8R1.11 CN1C=CN=C1CN 4090095 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.11 CN1C=NC=C1CCl 4088903 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.11 CN1N=CC=C1CCl 4089161 [0,1,0,0,0,0|3,0,0]=4 73 B6R0.6 C=CCNCCC 4088685 [0,0,1,0,0,0|1,0,2]=4 74 B8R1.2 BrCC1=CN=CC=C1 4090400 [0,0,0,0,0,1|2,0,0]=3 75 B8R1.2 NCC1=NC=NC=C1 4102725 [0,0,0,0,0,1|2,0,0]=3 76 B8R1.2 NNC1=CC=CN=C1 4090882 [0,0,0,0,0,1|3,0,0]=4 77 B8R1.2 NNC1=CC=NC=C1 4089280 [0,0,0,0,0,1|3,0,0]=4 78 B5R0.3 C=C(CC)CN 4074283 [1,0,1,0,0,0|1,0,1]=4 79 B5R0.3 C=CC(O)CN 4055871 [1,0,1,0,0,0|1,0,1]=4 80 B7R1.2 CC1=COC(C)=C1 4091270 [1,1,0,0,0,0|0,0,0]=2 81 B7R1.2 CC1=NN(C)C=C1 3020421 [1,1,0,0,0,0|2,0,0]=4 82 B7R1.4 CC1=C(N)C=NN1 4088796 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.1 CC1=CN=C(CN)C=C1 4010338 [0,1,0,0,0,1|2,0,0]=4 84 B9R1.1 CC1=CN=C(CN)C=C1 4089721 [0,1,0,0,0,1|2,0,0]=4 85 B9R1.1 CC1=NC=C(CCl)N=C1 4090045 [0,1,0,0,0,1|2,0,0]=4 86 B9R1.1 CCC1=CN=C(O)N=C1 4090949 [0,1,0,0,0,1|2,0,0]=4 87 B9R1.1 NCC1=NC=C(Cl)C=N1 4091048 [0,1,0,0,0,1|2,0,0]=4 88 B9R1.2 CC1=CC(CN)=NC=C1 4088971 [0,1,0,0,0,1|2,0,0]=4 89 B9R1.2 CC1=NC=CC(CCl)=C1 4089416 [0,1,0,0,0,1|2,0,0]=4 90 B9R1.2 CCC1=CC=NC(O)=N1 4043209 [0,1,0,0,0,1|1,0,0]=3 91 B9R1.2 CNC1=CC(Cl)=CC=C1 3020438 [0,1,0,0,0,1|2,0,0]=4 92 B9R1.2 NCC1=CC(Cl)=NC=C1 4088253 [0,1,0,0,0,1|2,0,0]=4 93 B9R1.2 NCC1=CC(O)=NC=N1 4089851 [0,1,0,0,0,1|2,0,0]=4 94 B9R1.2 NCC1=CC(O)=NC=N1 4110390 [0,1,0,0,0,1|2,0,0]=4 95 B9R1.2 NCC1=NC=CC(O)=C1 4014665 [0,1,0,0,0,1|2,0,0]=4 96 B9R1.2 OCC1=NC=CC(Cl)=C1 4088987 [0,1,0,0,0,1|2,0,0]=4 97 B9R1.6 CC(=O)C1=NC=CN=C1 3020083 [0,1,0,0,0,1|1,0,1]=4 98 B9R1.6 CC(N)C1=CC=NC=C1 3002627 [0,1,0,0,0,1|1,0,0]=3 99 B9R1.6 CC(N)C1=CN=CC=C1 3002415 [0,1,0,0,0,1|1,0,0]=3 100 B9R1.6 CC(N)C1=NC=CC=C1 3001612 [0,1,0,0,0,1|1,0,0]=3 101 B9R1.8 CNCC1=CC=NC=C1 3002392 [0,1,0,0,0,1|1,0,0]=3 102 B9R1.8 NCCC1=NC=CC=C1 3020070 [0,1,0,0,0,1|1,0,0]=3 103 B9R1.15 CC1=C(CCl)C=CN=C1 4010334 [0,1,0,0,0,1|2,0,0]=4 104 B9R1.15 CC1=C(CCl)N=CC=C1 4088897 [0,1,0,0,0,1|2,0,0]=4 105 B9R1.15 CC1=C(CN)C=CN=C1 4088420 [0,1,0,0,0,1|2,0,0]=4 106 B9R1.15 CC1=NC=CC=C1CCl 4088270 [0,1,0,0,0,1|2,0,0]=4 107 B9R1.15 CCC1=CC=CN=C1Cl 4037222 [0,1,0,0,0,1|1,0,0]=3 108 B9R1.7 CC1=CC=C(CCN)S1 4004130 [0,2,0,0,0,0|0,1,0]=3 109 B9R1.7 CC1=CN(CCN)N=C1 4089607 [0,2,0,0,0,0|2,0,0]=4 110 B9R1.7 CC1=CN(CCO)N=C1 4090132 [0,2,0,0,0,0|2,0,0]=4 111 B9R1.7 CC1=NC(CCCl)=CS1 4088359 [0,2,0,0,0,0|2,0,0]=4 112 B9R1.7 CC1=NN(CCN)C=C1 4016693 [0,2,0,0,0,0|2,0,0]=4 113 B9R1.7 CCCN1C=C(N)C=N1 4090803 [0,2,0,0,0,0|2,0,0]=4 114 B9R1.7 CCOC1=CC(C)=NN1 4088174 [0,2,0,0,0,0|2,0,0]=4 115 B9R1.7 CNCC1=CC(C)=NO1 4089254 [0,2,0,0,0,0|1,0,0]=3 116 B9R1.7 CNCC1=CSC(C)=N1 4087958 [0,2,0,0,0,0|2,0,0]=4 117 B9R1.7 CNCC1=CSC(C)=N1 4088268 [0,2,0,0,0,0|2,0,0]=4 118 B9R1.7 CNCC1=NC(C)=CN1 4090830 [0,2,0,0,0,0|2,0,0]=4 119 B9R1.7 CNCC1=NC(C)=CS1 4090988 [0,2,0,0,0,0|1,1,0]=4 120 B9R1.7 CNCC1=NNC(C)=C1 4090898 [0,2,0,0,0,0|2,0,0]=4 121 B9R1.7 CNCC1=NNC(C)=C1 4110852 [0,2,0,0,0,0|2,0,0]=4 122 B9R1.7 COCC1=NC(N)=NO1 4039775 [0,2,0,0,0,0|2,0,0]=4 123 B9R1.7 NCCC1=CSC(N)=N1 4088132 [0,2,0,0,0,0|2,0,0]=4 124 B9R1.21 CCC1=NC(CCl)=CS1 4088461 [0,2,0,0,0,0|1,1,0]=4 125 B9R1.21 CCC1=NC(CN)=CS1 4089874 [0,2,0,0,0,0|1,1,0]=4 126 B9R1.21 CCC1=NC(CN)=NO1 4090589 [0,2,0,0,0,0|2,0,0]=4 127 B9R1.21 CCC1=NC(CO)=CS1 4090454 [0,2,0,0,0,0|1,1,0]=4 128 B9R1.21 CCN1C=C(CCl)C=N1 4089507 [0,2,0,0,0,0|2,0,0]=4 129 B9R1.21 CCN1C=CC(C=O)=N1 4030460 [0,2,0,0,0,0|2,0,0]=4 130 B9R1.21 CCN1C=CC(CCl)=N1 4090802 [0,2,0,0,0,0|2,0,0]=4 131 B9R1.22 CCN1N=C(C)C=C1C 3020385 [0,2,0,0,0,0|2,0,0]=4 132 B9R1.35 CC(C)C1=NC=C(Br)S1 4040489 [0,2,0,0,0,0|1,1,0]=4 133 B9R1.35 CC(C)N1C=C(N)C=N1 4088827 [0,2,0,0,0,0|2,0,0]=4 134 B9R1.35 CC1=CC=C(B(O)O)O1 3200979 [0,2,0,0,0,0|2,0,0]=4 135 B9R1.35 CC1=CC=C(B(O)O)O1 4088928 [0,2,0,0,0,0|2,0,0]=4 136 B9R1.35 CC1=CC=C(C(=N)N)O1 4090997 [0,2,0,0,0,0|1,0,1]=4 137 B9R1.35 CC1=CNC(C(C)N)=N1 4090866 [0,2,0,0,0,0|2,0,0]=4 138 B9R1.35 CC1=NN=C(C(C)N)O1 4088435 [0,2,0,0,0,0|2,0,0]=4 139 B9R1.35 CC1=NOC(C(C)N)=N1 4089961 [0,2,0,0,0,0|2,0,0]=4 140 B9R1.132 CCC1=NNC(N)=C1C 4089985 [0,2,0,0,0,0|2,0,0]=4 141 B9R1.132 CCN1N=CC(N)=C1C 4090041 [0,2,0,0,0,0|2,0,0]=4 142 B9R1.11 CC(CN)N1C=CC=N1 4090464 [0,2,0,0,0,0|2,0,0]=4 143 B9R1.11 CCC(=O)C1=CC=CS1 3020389 [0,2,0,0,0,0|0,1,0]=3 144 B9R1.11 CCC(N)C1=NC=CS1 4090783 [0,2,0,0,0,0|1,1,0]=4 145 B9R1.11 CNC(C)C1=NC=CS1 2102324 [0,2,0,0,0,0|1,1,0]=4 146 B9R1.11 CNC(C)C1=NOC=C1 2102256 [0,2,0,0,0,0|2,0,0]=4 147 B9R1.11 N\C(=N/O)C1=CC=CO1 4088090 [0,2,0,0,0,0|1,0,1]=4 148 B9R1.12 ClCCCN1C=CC=N1 4089421 [0,2,0,0,0,0|2,0,0]=4 149 B9R1.12 NCCCC1=NC=CN1 4089532 [0,2,0,0,0,0|2,0,0]=4 150 B9R1.12 NCCCC1=NC=CS1 4101106 [0,2,0,0,0,0|1,1,0]=4 151 B9R1.12 NCCCN1C=CC=N1 4087812 [0,2,0,0,0,0|2,0,0]=4 152 B9R1.33 CC1=C(CCN)SC=C1 4090401 [0,2,0,0,0,0|0,1,0]=3 153 B9R1.33 CNCC1=NC=CN1C 4088714 [0,2,0,0,0,0|2,0,0]=4 154 B9R2.3 C1=NC2=C(CCC2)N1 4085442 [0,1,0,1,0,0|2,0,0]=4 155 B9R2.3 C1=NNC2=C1CCC2 4088327 [0,1,0,1,0,0|2,0,0]=4