0 B8R1.8 BrCCN1C=CC=C1 BB31-5450 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 CCCC1=NNC=C1 BB31-7142 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.8 CCNC1=NC=CS1 BB31-9923 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.8 ClCCN1C=CC=N1 BB53-1069 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.8 ClCCN1C=CN=C1 BB53-0752 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.8 ClCCN1C=NC=N1 BB53-0408 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.8 N#CCC1=NC=CS1 BB31-0162 [0,0,0,0,0,0|1,0,2]=3 7 B8R1.8 N#CNC1=NC=CS1 BB52-6243 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.8 NCCC1=NC=CS1 BB52-6118 [0,0,0,0,0,0|1,0,0]=1 9 B8R1.8 NCCN1C=CC=N1 BB53-0567 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.8 NCCN1C=CN=C1 BB32-0624 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.8 NCCN1C=CN=C1 BB52-8954 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.8 NCCN1C=NC=N1 BB52-9325 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.8 NCCN1C=NN=C1 BB31-0133 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.8 OCCC1=COC=C1 BB31-4913 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.8 OCCC1=NNC=C1 BB32-1887 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.8 OCCN1C=CC=N1 BB52-9321 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.8 OCCN1C=CN=C1 BB52-9402 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.8 OCCN1C=CN=N1 BB31-8699 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.8 OCCN1C=NC=N1 BB52-9136 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.8 S=C=NC1=NC=CS1 BB52-6789 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.1 BrCC1=NC=CS1 BB17-3001 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.1 CCC1=CN=CN1 BB31-2770 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.1 ClCC1=CC=NO1 BB54-1978 [1,0,0,0,0,0|2,1,0]=4 24 B7R1.1 ClCC1=CN=CS1 BB31-9749 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.1 ClCC1=CSC=N1 BB52-8495 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.1 ClCN1C=CC=N1 BB32-3719 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.1 NCC1=CC=NO1 BB31-7725 [1,0,0,0,0,0|1,1,0]=3 28 B7R1.1 NCC1=CNN=C1 BB31-0537 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.1 NCC1=CSC=N1 BB31-0500 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.1 NCC1=NC=CN1 BB31-5150 [1,0,0,0,0,0|2,0,0]=3 31 B7R1.1 NCC1=NC=CO1 BB31-4984 [1,0,0,0,0,0|1,1,0]=3 32 B7R1.1 NNC1=NC=CS1 BB52-5374 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.1 OCC1=CC=NO1 BB31-7380 [1,0,0,0,0,0|2,1,0]=4 34 B7R1.1 OCC1=NC=CO1 BB31-1661 [1,0,0,0,0,0|2,1,0]=4 35 B9R1.7 CC1=CC(CCN)=CS1 BB51-2715 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.7 CC1=CN(CCCl)N=C1 BB52-9091 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.7 CC1=CN(CCN)N=C1 BB52-9452 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.7 CC1=CN(CCO)N=C1 BB53-1006 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.7 CC1=CN=C(CCN)S1 BB55-8357 [0,1,0,0,0,0|1,0,0]=2 40 B9R1.7 CCCC1=CSC(N)=N1 BB32-3257 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.7 CCCC1=NN=C(N)S1 BB52-0945 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.7 OCCC1=CC(Br)=NO1 BB31-8853 [0,1,0,0,0,0|2,1,0]=4 43 B9R1.11 CC(CO)N1C=CC=N1 BB52-8649 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.12 CNCCN1C=CC=N1 BB52-9466 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.12 CNCCN1C=CN=C1 BB52-9610 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.12 CNCCN1C=NC=N1 BB53-0411 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.12 ClCCCN1C=CC=N1 BB53-0013 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.12 OCCCC1=CSC=C1 BB31-5720 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.12 OCCCN1C=CC=C1 BB31-5461 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.12 OCCCN1C=CC=N1 BB53-1139 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.13 CC(N)CC1=NC=CS1 BB57-1486 [0,1,0,0,0,0|1,0,0]=2 52 B9R1.13 O=C(O)CC1=NC=CS1 BB31-4063 [0,1,0,0,0,0|2,0,1]=4 53 B9R1.33 CC1=C(CCBr)SC=N1 BB32-3763 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.33 CC1=CSC=C1CCN BB51-2716 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.33 CN1C=NN=C1CCN BB52-8565 [0,1,0,0,0,0|3,0,0]=4 56 B9R2.3 C1=CN2CCNC2=N1 BB31-7290 [0,0,0,1,0,0|3,0,0]=4 57 B9R1.8 CCNC1=NC=CC=C1 BB31-5587 [0,0,0,0,0,1|3,0,0]=4 58 B9R1.8 CNCC1=CC=NC=C1 BB52-3970 [0,0,0,0,0,1|3,0,0]=4 59 B9R1.8 N#CCC1=CC=CN=N1 BB20-2554 [0,0,0,0,0,1|1,0,2]=4 60 B9R1.8 N#CCC1=NC=CN=C1 BB32-2625 [0,0,0,0,0,1|1,0,2]=4 61 B9R1.8 NNCC1=NC=CC=C1 BB32-1215 [0,0,0,0,0,1|2,0,0]=3 62 B9R1.8 N\N=C\C1=CC=CC=C1 BB32-2520 [0,0,0,0,0,1|2,0,1]=4 63 B9R1.8 OCCC1=CN=CN=C1 BB31-8537 [0,0,0,0,0,1|3,0,0]=4 64 B6R1.2 ClC1=NC=CS1 BB52-6859 [2,0,0,0,0,0|2,0,0]=4 65 B6R1.2 IC1=NC=CS1 BB31-4591 [2,0,0,0,0,0|2,0,0]=4 66 B6R1.2 NC1=CC=NS1 BB31-5278 [2,0,0,0,0,0|1,0,0]=3 67 B6R1.2 NC1=CN=CS1 BB31-3634 [2,0,0,0,0,0|1,0,0]=3 68 B6R1.2 O=C1C=CCS1 BB32-1702 [2,0,0,0,0,0|1,0,1]=4 69 B8R1.1 C#CC1=CC=C(Br)S1 BB31-8445 [1,1,0,0,0,0|0,0,2]=4 70 B8R1.1 C#CC1=CC=C(C)S1 BB31-6813 [1,1,0,0,0,0|0,0,2]=4 71 B8R1.1 C(=O)C1=CC=C(F)S1 BB05-4502 [1,1,0,0,0,0|1,0,1]=4 72 B8R1.1 CC1=CC(CN)=NO1 BB54-4118 [1,1,0,0,0,0|2,0,0]=4 73 B8R1.1 CC1=CN=C(CCl)S1 BB57-1485 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.1 CC1=NC=C(CO)S1 BB32-2642 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.1 CCN1C=C(O)C=N1 BB31-6891 [1,1,0,0,0,0|2,0,0]=4 76 B8R1.1 CN1C=NC(CN)=C1 BB31-3537 [1,1,0,0,0,0|2,0,0]=4 77 B8R1.1 CN1C=NC(CN)=C1 BB31-7605 [1,1,0,0,0,0|2,0,0]=4 78 B8R1.1 N#CC1=CC=C(N)S1 BB32-2606 [1,1,0,0,0,0|0,0,2]=4 79 B8R1.1 NCC1=CC=C(Br)O1 BB95-5747 [1,1,0,0,0,0|0,1,0]=3 80 B8R1.1 NCC1=CN=C(Br)S1 BB31-0053 [1,1,0,0,0,0|1,0,0]=3 81 B8R1.1 NCC1=NC=C(Br)S1 BB31-2678 [1,1,0,0,0,0|1,0,0]=3 82 B8R1.1 O=CC1=CC(Cl)=CS1 BB32-3153 [1,1,0,0,0,0|1,0,1]=4 83 B8R1.1 OCC1=CC=C(F)S1 BB05-4736 [1,1,0,0,0,0|1,0,0]=3 84 B8R1.7 CC(N)C1=CC=CS1 BB32-0760 [1,1,0,0,0,0|0,0,0]=2 85 B8R1.7 CC(N)C1=NC=CS1 BB31-5454 [1,1,0,0,0,0|1,0,0]=3 86 B8R1.7 CC(O)C1=CN=CN1 BB32-3221 [1,1,0,0,0,0|2,0,0]=4 87 B8R1.7 C[C@@H](O)C1=NC=CS1 BB32-0283 [1,1,0,0,0,0|1,0,0]=3 88 B8R1.7 C[C@H](O)C1=NC=CS1 BB31-9911 [1,1,0,0,0,0|1,0,0]=3 89 B8R1.7 N=C(N)C1=CC=CO1 BB52-5806 [1,1,0,0,0,0|0,1,1]=4 90 B8R1.7 NC(=S)C1=CC=CO1 BB31-3461 [1,1,0,0,0,0|0,1,1]=4 91 B8R1.11 CC1=C(CN)SN=N1 BB05-4235 [1,1,0,0,0,0|2,0,0]=4 92 B8R1.11 CCN1N=CC=C1O BB31-7938 [1,1,0,0,0,0|2,0,0]=4 93 B8R1.11 CN1C=CC=C1CN BB51-0595 [1,1,0,0,0,0|1,0,0]=3 94 B8R1.11 CN1C=NC=C1CN BB32-2184 [1,1,0,0,0,0|2,0,0]=4 95 B8R1.11 CN1N=CC=C1CN BB31-9208 [1,1,0,0,0,0|2,0,0]=4 96 B8R1.11 NCC1=C(Br)C=CS1 BB31-6843 [1,1,0,0,0,0|0,0,0]=2 97 B8R1.11 NCC1=C(Cl)C=CS1 BB32-1217 [1,1,0,0,0,0|0,0,0]=2 98 B8R1.11 OCC1=C(Br)N=CS1 BB31-4404 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.1 CC1=NC=C(CCO)C=C1 BB31-0061 [0,1,0,0,0,1|2,0,0]=4 100 B10R1.1 OCCC1=CN=C(Cl)C=C1 BB31-8395 [0,1,0,0,0,1|2,0,0]=4 101 B10R1.1 OCCC1=NC=C(Br)C=C1 BB31-8160 [0,1,0,0,0,1|2,0,0]=4 102 B10R1.4 CC1=C(CON)C=CC=C1 BB31-8696 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.4 NOCC1=C(Cl)C=CC=C1 BB32-2623 [0,1,0,0,0,1|2,0,0]=4 104 B10R1.4 OCCC1=C(I)C=CC=C1 BB31-4375 [0,1,0,0,0,1|2,0,0]=4 105 B10R1.10 CCCC1=CC=CC(Br)=C1 BB31-3877 [0,1,0,0,0,1|2,0,0]=4 106 B10R1.10 CCCC1=CC=CC(F)=C1 BB31-4486 [0,1,0,0,0,1|2,0,0]=4 107 B10R1.10 NOCC1=CC=CC(Cl)=C1 BB31-4564 [0,1,0,0,0,1|2,0,0]=4 108 B10R1.10 NOCC1=CC=CC(F)=C1 BB32-2410 [0,1,0,0,0,1|2,0,0]=4 109 B10R1.15 CCC(N)C1=CC=CN=C1 BB31-0914 [0,1,0,0,0,1|2,0,0]=4 110 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 BB31-4000 [0,1,0,0,0,1|2,0,0]=4 111 B10R1.15 C[C@H](CO)C1=CC=CC=C1 BB31-5425 [0,1,0,0,0,1|2,0,0]=4 112 B10R1.15 NC(CO)C1=NC=CC=C1 BB31-5647 [0,1,0,0,0,1|2,0,0]=4 113 B10R1.17 CCCCC1=CC=CN=C1 BB31-4701 [0,1,0,0,0,1|2,0,0]=4 114 B10R1.17 ClCCSC1=NC=CC=C1 BB52-9581 [0,1,0,0,0,1|2,0,0]=4 115 B10R1.17 NCCCC1=CC=CN=C1 BB31-5719 [0,1,0,0,0,1|1,0,0]=3 116 B10R1.17 NCCNC1=NC=CC=C1 BB52-8028 [0,1,0,0,0,1|1,0,0]=3 117 B10R1.17 NCCOC1=CC=NC=C1 BB32-2674 [0,1,0,0,0,1|1,0,0]=3 118 B10R1.17 NCCOC1=NC=CC=C1 BB31-4550 [0,1,0,0,0,1|1,0,0]=3 119 B10R1.17 NCCSC1=NC=CC=C1 BB52-8924 [0,1,0,0,0,1|1,0,0]=3 120 B10R1.17 OCCSC1=NC=CC=C1 BB52-9072 [0,1,0,0,0,1|2,0,0]=4 121 B10R1.18 CC(C)CC1=NC=CC=C1 BB31-5691 [0,1,0,0,0,1|2,0,0]=4 122 B10R1.18 N=C(N)CC1=CC=CN=C1 BB52-5807 [0,1,0,0,0,1|1,0,1]=4 123 B10R1.18 N=C(N)CC1=NC=CC=C1 BB52-5801 [0,1,0,0,0,1|1,0,1]=4 124 B10R1.14 CC1=CN(C(C)CN)N=C1 BB05-4113 [0,2,0,0,0,0|2,0,0]=4 125 B10R1.14 CCC(N)C1=CC=C(C)O1 BB31-3538 [0,2,0,0,0,0|1,1,0]=4 126 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 BB32-2516 [0,2,0,0,0,0|1,1,0]=4 127 B10R1.16 CC1=CC(NCCN)=NO1 BB53-1047 [0,2,0,0,0,0|2,0,0]=4 128 B10R1.16 CC1=CC=C(CCCN)S1 BB31-0033 [0,2,0,0,0,0|0,0,0]=2 129 B10R1.16 CC1=CN(CCCN)N=C1 BB52-8639 [0,2,0,0,0,0|2,0,0]=4 130 B10R1.16 CNCCN1C=C(C)C=N1 BB52-9554 [0,2,0,0,0,0|2,0,0]=4 131 B10R1.54 O=C(O)CC1=CC=C(Br)S1 BB32-3837 [0,2,0,0,0,0|1,0,1]=4 132 B10R1.96 CCCC1=NC=C(C=O)S1 BB32-3578 [0,2,0,0,0,0|2,0,0]=4 133 B10R1.130 CC1=CC(C)=NN1CCN BB52-9076 [0,2,0,0,0,0|2,0,0]=4 134 B10R1.9 N#CC(C=O)C1=CC=CS1 BB52-6965 [0,2,0,0,0,0|0,0,2]=4 135 B10R1.11 O=C(CCCl)C1=CC=CS1 BB32-1718 [0,2,0,0,0,0|1,0,0]=3 136 B10R1.23 O=C(C1=CC=CS1)C(Br)Br BB31-7063 [0,2,0,0,0,0|1,0,1]=4 137 B10R1.21 CCNCCN1C=CC=N1 BB53-0723 [0,2,0,0,0,0|2,0,0]=4 138 B10R1.21 ClCCNCC1=CC=CO1 BB53-1061 [0,2,0,0,0,0|1,1,0]=4 139 B10R1.21 NCCNCC1=CC=CO1 BB52-9675 [0,2,0,0,0,0|0,1,0]=3 140 B10R1.21 OCCNCC1=CC=CO1 BB52-8109 [0,2,0,0,0,0|1,1,0]=4 141 B10R1.66 CC(C)NCC1=CC=CO1 BB52-0642 [0,2,0,0,0,0|1,1,0]=4 142 B10R1.66 O=C(O)CCC1=CC=CN1 BB32-1801 [0,2,0,0,0,0|2,0,0]=4 143 B10R1.66 O=C(O)CCC1=NC=CS1 BB31-2782 [0,2,0,0,0,0|2,0,0]=4 144 B10R2.7 C1=CC2=C(C=N1)CCN2 BB31-4247 [0,0,0,1,0,1|1,0,0]=3 145 B10R2.7 C1=CC2=C(C=N1)CCN2 BB32-3376 [0,0,0,1,0,1|1,0,0]=3 146 B10R2.7 C1=CC2=C(C=N1)NCC2 BB31-4675 [0,0,0,1,0,1|1,0,0]=3 147 B10R2.7 C1=CN=C2CCNC2=C1 BB31-9759 [0,0,0,1,0,1|1,0,0]=3 148 B10R2.7 C1=CN=C2CCNC2=C1 BB32-0564 [0,0,0,1,0,1|1,0,0]=3 149 B10R2.14 BrC1=CSC(C2CC2)=N1 BB31-9170 [0,1,0,1,0,0|2,0,0]=4 150 B10R2.14 N=C1NC=C(C2CC2)S1 BB32-3386 [0,1,0,1,0,0|2,0,0]=4 151 B10R2.32 O=C1CCC2=C1C=CS2 BB32-3136 [0,1,0,1,0,0|1,0,0]=3 152 B10R2.136 C1=CN(C2CNC2)N=C1 BB31-2330 [0,1,0,1,0,0|2,0,0]=4