0 B9R1.12 CNCCN1C=CC=N1 BB52-9466 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.12 CNCCN1C=CN=C1 BB52-9610 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.12 CNCCN1C=NC=N1 BB53-0411 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.12 ClCCCN1C=CC=N1 BB53-0013 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.12 ClCCCN1C=CN=C1 BB53-0429 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.12 ClCCCN1C=NC=N1 BB53-0764 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.12 OCCCC1=CSC=C1 BB31-5720 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.12 OCCCN1C=CC=C1 BB31-5461 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.12 OCCCN1C=CC=N1 BB53-1139 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.12 OCCCN1C=CN=C1 BB52-9230 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.12 OCCCN1C=NC=N1 BB52-9947 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.8 BrCCN1C=CC=C1 BB31-5450 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.8 CCCC1=NNC=C1 BB31-7142 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.8 CCNC1=NC=CS1 BB31-9923 [1,0,0,0,0,0|2,1,0]=4 14 B8R1.8 ClCCN1C=CC=N1 BB53-1069 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.8 NCCC1=NC=CS1 BB52-6118 [1,0,0,0,0,0|2,1,0]=4 16 B8R1.8 NCCN1C=CC=N1 BB53-0567 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.8 OCCC1=COC=C1 BB31-4913 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.8 OCCC1=NNC=C1 BB32-1887 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.8 OCCN1C=CC=N1 BB52-9321 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.11 CC(CCO)N1C=CC=N1 BB52-8650 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.11 O=C(CCCl)C1=CC=CS1 BB32-1718 [0,1,0,0,0,0|1,1,1]=4 22 B10R1.16 CC1=CC=C(CCCN)S1 BB31-0033 [0,1,0,0,0,0|1,1,0]=3 23 B10R1.16 CC1=CN(CCCCl)N=C1 BB53-0532 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.16 CC1=CN(CCCN)N=C1 BB52-8639 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.16 CC1=CN(CCCO)N=C1 BB52-9006 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.16 CCCCC1=NN=C(N)O1 BB52-9149 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.16 CCCCC1=NN=C(N)S1 BB52-0931 [0,1,0,0,0,0|2,1,0]=4 28 B10R1.16 CCCCC1=NNC(N)=N1 BB52-6652 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.16 CCNCC1=NN=C(C)O1 BB52-8420 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.16 CNCCN1C=C(C)C=N1 BB52-9554 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.21 CCNCCN1C=CC=N1 BB53-0723 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.21 CCNCCN1C=CN=C1 BB53-0767 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.21 CCNCCN1C=NC=N1 BB53-0279 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.21 ClCCNCC1=CC=CO1 BB53-1061 [0,1,0,0,0,0|1,0,0]=2 35 B10R1.21 NCCNCC1=CC=CO1 BB52-9675 [0,1,0,0,0,0|1,0,0]=2 36 B10R1.21 OCCNCC1=CC=CO1 BB52-8109 [0,1,0,0,0,0|1,0,0]=2 37 B10R1.27 CC(CO)CN1C=CC=N1 BB52-8662 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.29 COCCN1N=CC=C1N BB32-0825 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.66 CC(=O)CCN1C=CC=N1 BB52-8699 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.66 CC(C)NCC1=CC=CO1 BB52-0642 [0,1,0,0,0,0|1,0,0]=2 41 B10R1.66 O=C(O)CCC1=CC=CN1 BB32-1801 [0,1,0,0,0,0|2,0,1]=4 42 B10R2.7 C1=C2CCCCC2=CN1 BB32-2823 [0,0,0,1,0,0|2,0,0]=3 43 B10R2.7 C1=C2NCCCC2=NN1 BB31-8837 [0,0,0,1,0,0|3,0,0]=4 44 B10R2.7 C1=CC2=C(CCCC2)N1 BB31-9527 [0,0,0,1,0,0|1,0,0]=2 45 B10R2.7 C1=CN2CCCCC2=N1 BB32-1983 [0,0,0,1,0,0|2,0,0]=3 46 B10R2.7 C1=CN2CCNCC2=N1 BB32-3766 [0,0,0,1,0,0|3,0,0]=4 47 B10R2.7 C1=NC2=C(CNCC2)N1 BB52-0840 [0,0,0,1,0,0|3,0,0]=4 48 B10R2.7 C1=NC2=C(CNCC2)S1 BB31-1025 [0,0,0,1,0,0|2,1,0]=4 49 B10R2.7 C1=NN2CCCNC2=C1 BB51-1803 [0,0,0,1,0,0|3,0,0]=4 50 B10R2.7 C1=NNC2=C1CNCC2 BB31-8387 [0,0,0,1,0,0|3,0,0]=4 51 B10R2.32 O=C1CCC2=C1C=CS2 BB32-3136 [0,0,0,1,0,0|1,1,1]=4 52 B10R2.136 C1=CC(C2CCC2)=NN1 BB31-7666 [0,0,0,1,0,0|2,0,0]=3 53 B10R2.136 C1=CN(C2CNC2)N=C1 BB31-2330 [0,0,0,1,0,0|3,0,0]=4 54 B10R1.17 CCCCC1=CC=CN=C1 BB31-4701 [0,0,0,0,0,1|1,0,0]=2 55 B10R1.17 ClCCSC1=NC=CC=C1 BB52-9581 [0,0,0,0,0,1|3,0,0]=4 56 B10R1.17 NCCCC1=CC=CN=C1 BB31-5719 [0,0,0,0,0,1|2,0,0]=3 57 B10R1.17 NCCNC1=NC=CC=C1 BB52-8028 [0,0,0,0,0,1|3,0,0]=4 58 B10R1.17 NCCOC1=CC=NC=C1 BB32-2674 [0,0,0,0,0,1|3,0,0]=4 59 B10R1.17 NCCOC1=NC=CC=C1 BB31-4550 [0,0,0,0,0,1|3,0,0]=4 60 B10R1.17 NCCSC1=NC=CC=C1 BB52-8924 [0,0,0,0,0,1|3,0,0]=4 61 B10R1.17 OCCSC1=NC=CC=C1 BB52-9072 [0,0,0,0,0,1|3,0,0]=4 62 B7R1.1 CCC1=CN=CN1 BB31-2770 [2,0,0,0,0,0|2,0,0]=4 63 B7R1.1 ClCC1=CC=NO1 BB54-1978 [2,0,0,0,0,0|2,0,0]=4 64 B7R1.1 NCC1=CC=NO1 BB31-7725 [2,0,0,0,0,0|2,0,0]=4 65 B7R1.1 NCC1=NC=CO1 BB31-4984 [2,0,0,0,0,0|2,0,0]=4 66 B7R1.1 OCC1=CC=NO1 BB31-7380 [2,0,0,0,0,0|2,0,0]=4 67 B7R1.1 OCC1=NC=CO1 BB31-1661 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.7 CCCC1=CSC(N)=N1 BB32-3257 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.7 CCCC1=NN=C(N)O1 BB52-8738 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.7 OCCC1=CC(Br)=NO1 BB31-8853 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.13 CC(N)CC1=NC=CS1 BB57-1486 [1,1,0,0,0,0|1,1,0]=4 72 B11R1.1 CCCNC1=CC=C(Cl)N=N1 BB52-5737 [0,1,0,0,0,1|2,0,0]=4 73 B11R1.1 CCNCC1=CC=C(O)C=C1 BB31-5883 [0,1,0,0,0,1|2,0,0]=4 74 B11R1.1 ClCCCC1=CC=C(Br)C=C1 BB31-4830 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.1 OCCCC1=CC=C(F)C=C1 BB31-7183 [0,1,0,0,0,1|2,0,0]=4 76 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 BB31-7522 [0,1,0,0,0,1|2,0,0]=4 77 B11R1.16 COC[C@H](N)C1=CC=CC=C1 BB32-3222 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.16 OCCC(O)C1=CC=CC=C1 BB32-2523 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.17 CC1=C(CCCO)C=CC=C1 BB32-0475 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.17 CCCOC1=C(N)C=CC=C1 BB31-5710 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.17 CCNCC1=C(O)C=CC=C1 BB31-9257 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.17 COCCC1=C(O)C=CC=C1 BB32-1663 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.17 NCCCC1=C(Br)C=CC=C1 BB31-5716 [0,1,0,0,0,1|2,0,0]=4 84 B11R1.17 OCCCC1=C(Cl)C=CC=C1 BB32-3226 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.17 OCCCC1=C(F)C=CC=C1 BB31-8703 [0,1,0,0,0,1|2,0,0]=4 86 B11R1.24 COCCC1=CC(O)=CC=C1 BB32-1678 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.24 NCCCC1=CC=CC(Br)=C1 BB31-3431 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.24 OCCCC1=CC=CC(Br)=C1 BB32-3048 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.24 OCCCC1=CC=CC(Cl)=C1 BB31-4195 [0,1,0,0,0,1|2,0,0]=4 90 B11R1.24 OCCCC1=CC=CC(F)=C1 BB31-2996 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.28 CCCC#CC1=CC=CC=C1 BB31-3592 [0,1,0,0,0,1|1,0,1]=4 92 B11R1.28 CCCCCC1=CC=NC=C1 BB31-4566 [0,1,0,0,0,1|1,0,0]=3 93 B11R1.28 CNCCSC1=NC=CC=C1 BB52-9534 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.28 ClCCCSC1=NC=CC=C1 BB53-0616 [0,1,0,0,0,1|2,0,0]=4 95 B11R1.28 ClCCNCC1=CC=CN=C1 BB52-9884 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.28 ClCCNCC1=CC=NC=C1 BB52-9449 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.28 ClCCNCC1=NC=CC=C1 BB53-0573 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.28 NCCCOC1=CC=CC=C1 BB31-8683 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.28 NCCNCC1=CC=CN=C1 BB53-0712 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.28 NCCNCC1=CC=NC=C1 BB52-9903 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.28 NCCNCC1=NC=CC=C1 BB53-0185 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.28 OCCCCC1=CN=CC=C1 BB31-5838 [0,1,0,0,0,1|1,0,0]=3 103 B11R1.28 OCCCCC1=NC=CC=C1 BB31-3724 [0,1,0,0,0,1|1,0,0]=3 104 B11R1.28 OCCCSC1=NC=CC=C1 BB52-9523 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.28 OCCNCC1=CC=CN=C1 BB52-9596 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.28 OCCNCC1=CC=NC=C1 BB53-0514 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.28 OCCNCC1=NC=CC=C1 BB52-9143 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.40 NCC(O)CC1=CC=CC=C1 BB32-2349 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.91 CC(C)NCC1=CC=CN=C1 BB31-3857 [0,1,0,0,0,1|2,0,0]=4 110 B11R1.15 CCCC(C)C1=NN=C(N)O1 BB52-9119 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.77 CC(=O)CC(=O)C1=CC=CO1 BB31-5453 [0,2,0,0,0,0|0,0,2]=4 112 B11R1.27 CCCCCC1=NN=C(N)O1 BB52-9150 [0,2,0,0,0,0|2,0,0]=4 113 B11R1.27 CCNCCN1C=C(C)C=N1 BB52-8965 [0,2,0,0,0,0|2,0,0]=4 114 B11R1.75 CC(C)CCC1=NN=C(N)O1 BB52-9120 [0,2,0,0,0,0|2,0,0]=4 115 B11R1.4 CCCNCCN1C=CC=N1 BB53-0326 [0,2,0,0,0,0|2,0,0]=4 116 B11R1.4 CNCCNCC1=CC=CO1 BB52-9424 [0,2,0,0,0,0|0,0,0]=2 117 B11R1.4 ClCCCNCC1=CC=CO1 BB53-0395 [0,2,0,0,0,0|0,0,0]=2 118 B11R1.4 N#CCCNCC1=CC=CO1 BB52-8110 [0,2,0,0,0,0|0,0,1]=3 119 B11R1.4 NCCCSCC1=CC=CO1 BB52-8340 [0,2,0,0,0,0|0,0,0]=2 120 B11R1.4 OCCCNCC1=CC=CO1 BB52-9681 [0,2,0,0,0,0|0,0,0]=2 121 B11R1.25 O=C(CBr)NCC1=CC=CO1 BB53-0885 [0,2,0,0,0,0|1,0,1]=4 122 B11R1.172 CC(C)NCCN1C=CC=N1 BB52-9613 [0,2,0,0,0,0|2,0,0]=4 123 B11R1.172 FC(F)CNCC1=CC=CO1 BB05-4659 [0,2,0,0,0,0|1,0,0]=3 124 B11R1.172 O=C(O)CNCC1=CC=CO1 BB52-9976 [0,2,0,0,0,0|1,0,1]=4 125 B9R1.15 O=CC1=C(Br)CCCC1 BB32-2004 [0,0,1,1,0,0|2,0,0]=4 126 B9R1.15 O=CC1=C(Cl)CCCC1 BB31-8272 [0,0,1,1,0,0|2,0,0]=4 127 B11R2.1 OC1CCC2=C1C=CC=N2 BB31-8742 [0,0,0,1,0,1|2,0,0]=4 128 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 BB31-5413 [0,0,0,1,0,1|2,0,0]=4 129 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 BB31-4659 [0,0,0,1,0,1|2,0,0]=4 130 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 BB31-4761 [0,0,0,1,0,1|2,0,0]=4 131 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 BB31-5270 [0,0,0,1,0,1|2,0,0]=4 132 B11R2.20 C1=CC2=C(C=N1)CCNC2 BB31-4989 [0,0,0,1,0,1|2,0,0]=4 133 B11R2.20 C1=CC2=C(C=N1)CCNC2 BB31-5092 [0,0,0,1,0,1|2,0,0]=4 134 B11R2.20 C1=CC2=C(C=N1)CNCC2 BB31-8350 [0,0,0,1,0,1|2,0,0]=4 135 B11R2.20 C1=CN=C2CCNCC2=C1 BB31-5976 [0,0,0,1,0,1|2,0,0]=4 136 B11R2.20 C1=CN=C2CCNCC2=C1 BB32-1880 [0,0,0,1,0,1|2,0,0]=4 137 B11R2.20 C1=CN=C2CNCCC2=C1 BB31-4985 [0,0,0,1,0,1|2,0,0]=4 138 B11R2.20 C1=CN=C2NCCCC2=C1 BB31-5477 [0,0,0,1,0,1|2,0,0]=4 139 B11R2.20 C1=CN=C2OCCCC2=C1 BB31-4408 [0,0,0,1,0,1|2,0,0]=4 140 B11R2.20 C1=NC=C2CCNCC2=N1 BB31-4033 [0,0,0,1,0,1|2,0,0]=4 141 B11R2.20 C1=NC=C2CNCCC2=N1 BB31-4165 [0,0,0,1,0,1|2,0,0]=4 142 B11R2.239 C1=CC(C2CNC2)=CC=N1 BB31-0986 [0,0,0,1,0,1|2,0,0]=4 143 B11R2.239 C1=CC=C(C2CCN2)C=C1 BB31-8120 [0,0,0,1,0,1|2,0,0]=4 144 B11R2.239 C1=CN=CC(C2CNC2)=C1 BB31-0985 [0,0,0,1,0,1|2,0,0]=4 145 B11R2.988 OCC1CC2=C1C=CC=C2 BB31-2934 [0,0,0,1,0,1|2,0,0]=4 146 B11R2.2 C1=CNC(C2=NCCC2)=C1 BB31-0136 [0,1,0,1,0,0|1,0,1]=4 147 B11R2.2 C1=CSC(C2OCCO2)=C1 BB31-5549 [0,1,0,1,0,0|1,1,0]=4 148 B11R2.106 CC1NCCN2C=CC=C12 BB54-3527 [0,1,0,1,0,0|2,0,0]=4 149 B11R2.106 O=C1CCCC2=C1C=NO2 BB31-6029 [0,1,0,1,0,0|1,0,1]=4 150 B11R2.10 BrC1=CC2=C(CCNC2)S1 BB31-7618 [0,1,0,1,0,0|1,1,0]=4 151 B11R2.10 NC1=NC2=C(CCCC2)S1 BB52-1707 [0,1,0,1,0,0|1,1,0]=4 152 B11R2.351 BrC1=CN(CC2CC2)N=C1 BB31-2191 [0,1,0,1,0,0|2,0,0]=4 153 B11R2.352 NC1=NN=C(C2CCC2)O1 BB52-8723 [0,1,0,1,0,0|2,0,0]=4 154 B11R2.36 NC1CCC2=C(C=NN2)C1 BB32-3793 [0,1,0,1,0,0|2,0,0]=4 155 B11R2.36 N[C@@H]1CCC2=C(C=NN2)C1 BB31-1872 [0,1,0,1,0,0|2,0,0]=4