0 B6R1.2 BrC1=CNC=N1 BBL011159 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 BrC1=NN=CN1 BBL013240 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 CC1=NC=CN1 BBL013047 [0,0,0,0,0,0|4,0,0]=4 3 B6R1.2 CN1C=CN=C1 BBL011447 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.2 ClC1=CC=CS1 BBL027523 [0,0,0,0,0,0|4,0,0]=4 5 B6R1.2 ClC1=NSN=C1 BBL033325 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 IC1=NNC=N1 BBL012756 [0,0,0,0,0,0|4,0,0]=4 7 B6R1.2 NC1=CC=NN1 BBL008564 [0,0,0,0,0,0|3,0,0]=3 8 B6R1.2 NC1=CNN=C1 BBL012618 [0,0,0,0,0,0|1,0,0]=1 9 B6R1.2 NC1=NN=NN1 BBL012169 [0,0,0,0,0,0|3,0,1]=4 10 B6R1.2 NC1=NNC=N1 BBL012592 [0,0,0,0,0,0|4,0,0]=4 11 B6R1.2 O=C1C=CCC1 BBL100014 [0,0,0,0,0,0|3,0,1]=4 12 B6R1.2 O=C1NC=NN1 BBL028622 [0,0,0,0,0,0|4,0,0]=4 13 B6R1.2 OC1=NC=NN1 BBL033023 [0,0,0,0,0,0|4,0,0]=4 14 B6R1.2 [NH3+]N1C=NN=C1 BBL002894 [0,0,0,0,0,0|2,0,1]=3 15 B5R1.1 C1=CNC=C1 BBL011520 [1,0,0,0,0,0|1,0,0]=2 16 B5R1.1 C1=CSC=N1 BBL027512 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.1 NCC1=CC=CO1 BBL011620 [0,1,0,0,0,0|3,0,0]=4 18 B7R1.1 NCC1=CC=NN1 BBL038226 [0,1,0,0,0,0|2,0,0]=3 19 B7R1.1 O=CC1=CN=CN1 BBL029981 [0,1,0,0,0,0|2,0,1]=4 20 B7R1.1 O=CC1=CNN=C1 BBL038290 [0,1,0,0,0,0|0,0,1]=2 21 B7R1.1 O=CC1=CSC=C1 BBL012656 [0,1,0,0,0,0|2,0,1]=4 22 B7R1.2 CC1=CC(O)=NO1 BBL033480 [0,1,0,0,0,0|2,0,0]=3 23 B7R1.2 CC1=CN=C(Br)S1 BBL031032 [0,1,0,0,0,0|2,0,0]=3 24 B7R1.2 CC1=CN=C(Cl)S1 BBL011206 [0,1,0,0,0,0|2,0,0]=3 25 B7R1.2 CC1=CNC(C)=N1 BBL027875 [0,1,0,0,0,0|2,0,0]=3 26 B7R1.2 CC1=NC(Br)=NN1 BBL032367 [0,1,0,0,0,0|3,0,0]=4 27 B7R1.2 CC1=NC(N)=NO1 BBL034965 [0,1,0,0,0,0|3,0,0]=4 28 B7R1.2 CC1=NN(C)C=C1 BBL038742 [0,1,0,0,0,0|2,0,0]=3 29 B7R1.2 CC1=NN=C(N)N1 BBL007835 [0,1,0,0,0,0|3,0,0]=4 30 B7R1.2 CC1=NNC(Cl)=N1 BBL012850 [0,1,0,0,0,0|3,0,0]=4 31 B7R1.2 CC1=NNC(N)=C1 BBL010620 [0,1,0,0,0,0|2,0,0]=3 32 B7R1.2 CC1=NOC(N)=C1 BBL010138 [0,1,0,0,0,0|3,0,0]=4 33 B7R1.2 CN1C=C(Br)C=N1 BBL029607 [0,1,0,0,0,0|1,0,0]=2 34 B7R1.2 CN1C=C(I)C=N1 BBL104368 [0,1,0,0,0,0|1,0,0]=2 35 B7R1.2 CN1C=CC(N)=N1 BBL028677 [0,1,0,0,0,0|3,0,0]=4 36 B7R1.2 CN1C=NC(Br)=C1 BBL037036 [0,1,0,0,0,0|2,0,0]=3 37 B7R1.2 CN1C=NC(Br)=N1 BBL031818 [0,1,0,0,0,0|3,0,0]=4 38 B7R1.2 CN1C=NC(Cl)=N1 BBL033283 [0,1,0,0,0,0|3,0,0]=4 39 B7R1.2 NC1=CC(O)=NO1 BBL028339 [0,1,0,0,0,0|3,0,0]=4 40 B7R1.2 NC1=CC([O-])=NO1 BBL036764 [0,1,0,0,0,0|3,0,0]=4 41 B7R1.2 [O-][N+]1=CN(O)C=C1 BBL028359 [0,1,0,0,0,0|3,0,0]=4 42 B7R1.4 CC1=CC=NN1C BBL029437 [0,1,0,0,0,0|2,0,0]=3 43 B7R1.4 CC1=NC=CN1C BBL011425 [0,1,0,0,0,0|2,0,0]=3 44 B7R1.4 CC1=NNC=C1Br BBL013133 [0,1,0,0,0,0|1,0,0]=2 45 B7R1.4 CC1=NNC=C1I BBL031626 [0,1,0,0,0,0|1,0,0]=2 46 B7R1.4 CC1=NNC=C1N BBL030292 [0,1,0,0,0,0|1,0,0]=2 47 B7R1.4 CN1N=NN=C1[S-] BBL011313 [0,1,0,0,0,0|2,0,1]=4 48 B7R1.4 ClC1=NSN=C1Cl BBL027771 [0,1,0,0,0,0|3,0,0]=4 49 B7R1.4 IC1=C(I)NC=N1 BBL029092 [0,1,0,0,0,0|3,0,0]=4 50 B7R1.4 NC1=NNC=C1Br BBL010207 [0,1,0,0,0,0|1,0,0]=2 51 B7R1.4 NC1=NON=C1N BBL008366 [0,1,0,0,0,0|3,0,0]=4 52 B5R0.1 C=C(C)CCO BBL027415 [0,0,1,0,0,0|2,0,1]=4 53 B5R0.1 CC(C)=CCO BBL011665 [0,0,1,0,0,0|2,0,1]=4 54 B7R1.3 BrC1=CC=CC=N1 BBL027568 [0,0,0,0,0,1|3,0,0]=4 55 B7R1.3 BrC1=CC=NC=C1 BBL009972 [0,0,0,0,0,1|2,0,0]=3 56 B7R1.3 BrC1=CN=CC=C1 BBL027581 [0,0,0,0,0,1|2,0,0]=3 57 B7R1.3 CC1=CC=NC=C1 BBL011459 [0,0,0,0,0,1|1,0,0]=2 58 B7R1.3 ClC1=NC=CC=C1 BBL027569 [0,0,0,0,0,1|3,0,0]=4 59 B7R1.3 ClC1=NC=CN=C1 BBL011919 [0,0,0,0,0,1|2,0,0]=3 60 B7R1.3 FC1=CC=CC=N1 BBL010032 [0,0,0,0,0,1|3,0,0]=4 61 B7R1.3 IC1=CC=NC=C1 BBL009973 [0,0,0,0,0,1|2,0,0]=3 62 B7R1.3 NC1=CC=CC=N1 BBL011573 [0,0,0,0,0,1|3,0,0]=4 63 B7R1.3 OC1=CC=NC=C1 BBL022970 [0,0,0,0,0,1|2,0,0]=3 64 B7R1.3 OC1=CN=CC=C1 BBL010946 [0,0,0,0,0,1|2,0,0]=3 65 B7R1.3 OC1=NC=CC=C1 BBL027571 [0,0,0,0,0,1|3,0,0]=4 66 B4R0.1 C=C(C)C#N BBL011404 [1,0,1,0,0,0|0,0,2]=4 67 B4R0.1 CC(=O)NN BBL018600 [1,0,1,0,0,0|1,0,1]=4 68 B4R0.1 C\C(N)=N\O BBL005334 [1,0,1,0,0,0|2,0,0]=4 69 B4R0.2 C\C=C\C#N BBL036260 [1,0,1,0,0,0|1,0,1]=4 70 B4R0.2 C\C=C\C=O BBL011428 [1,0,1,0,0,0|2,0,0]=4 71 B4R0.2 C\C=C\CO BBL027414 [1,0,1,0,0,0|2,0,0]=4 72 B8R1.2 C=CC1=CC=NC=C1 BBL027584 [0,1,0,0,0,1|1,0,1]=4 73 B8R1.2 COC1=NC=CC=C1 BBL011495 [0,1,0,0,0,1|2,0,0]=4 74 B8R1.2 ClCC1=CC=CC=N1 BBL009975 [0,1,0,0,0,1|2,0,0]=4 75 B8R1.2 N#CC1=CN=CC=C1 BBL037217 [0,1,0,0,0,1|1,0,1]=4 76 B8R1.2 NCC1=CC=CN=C1 BBL036897 [0,1,0,0,0,1|1,0,0]=3 77 B8R1.2 O=CC1=CC=NC=C1 BBL025920 [0,1,0,0,0,1|1,0,1]=4 78 B8R1.2 OCC1=CC=CC=C1 BBL011938 [0,1,0,0,0,1|2,0,0]=4 79 B8R1.2 [NH3+]CC1=CC=CC=C1 BBL002893 [0,1,0,0,0,1|2,0,0]=4 80 B8R1.3 CC1=CC=C(Cl)N=N1 BBL036277 [0,1,0,0,0,1|2,0,0]=4 81 B8R1.3 CC1=CC=[N+]([O-])C=C1 BBL027567 [0,1,0,0,0,1|1,0,1]=4 82 B8R1.3 CC1=CN=C(S)N=C1 BBL038257 [0,1,0,0,0,1|0,0,1]=3 83 B8R1.3 ClC1=CC=C(Br)C=N1 BBL012798 [0,1,0,0,0,1|2,0,0]=4 84 B8R1.3 FC1=CN=C(Cl)C=C1 BBL029883 [0,1,0,0,0,1|2,0,0]=4 85 B8R1.3 NC1=CN=C(Cl)C=C1 BBL011061 [0,1,0,0,0,1|2,0,0]=4 86 B8R1.3 OC1=NC=C(Cl)C=C1 BBL027573 [0,1,0,0,0,1|2,0,0]=4 87 B8R1.4 CC1=CC(C)=NC=C1 BBL027575 [0,1,0,0,0,1|1,0,0]=3 88 B8R1.4 CC1=CC=CC(C)=N1 BBL013176 [0,1,0,0,0,1|2,0,0]=4 89 B8R1.4 NC1=CC=NC(Cl)=C1 BBL009974 [0,1,0,0,0,1|2,0,0]=4 90 B8R1.4 NC1=NC(Cl)=CN=C1 BBL028064 [0,1,0,0,0,1|2,0,0]=4 91 B8R1.4 NC1=NC=CC(Cl)=C1 BBL011142 [0,1,0,0,0,1|2,0,0]=4 92 B8R1.5 CC1=C(Br)C=NC=C1 BBL028165 [0,1,0,0,0,1|1,0,0]=3 93 B8R1.5 CC1=CC=NC=C1C BBL027583 [0,1,0,0,0,1|1,0,0]=3 94 B8R1.5 NC1=C(N)C=NC=C1 BBL013269 [0,1,0,0,0,1|2,0,0]=4 95 B8R1.5 NC1=C(O)C=CC=N1 BBL009590 [0,1,0,0,0,1|2,0,0]=4 96 B8R1.5 NC1=C(O)C=CN=C1 BBL011065 [0,1,0,0,0,1|2,0,0]=4 97 B8R1.5 NC1=CC=CN=C1N BBL011063 [0,1,0,0,0,1|2,0,0]=4 98 B8R1.5 OC1=C(O)N=CC=C1 BBL027572 [0,1,0,0,0,1|2,0,0]=4 99 B8R1.5 OC1=CC=CN=C1Br BBL013305 [0,1,0,0,0,1|2,0,0]=4 100 B8R1.1 C=CN1C=C(Cl)C=N1 BBL032614 [0,2,0,0,0,0|1,0,0]=3 101 B8R1.1 CC1=CN(CCl)N=C1 BBL040914 [0,2,0,0,0,0|0,0,0]=2 102 B8R1.1 CC1=CN(CO)N=C1 BBL040434 [0,2,0,0,0,0|0,0,0]=2 103 B8R1.1 CN1C=C(C#N)C=N1 BBL039935 [0,2,0,0,0,0|0,0,1]=3 104 B8R1.1 CN1C=CC(CN)=N1 BBL104303 [0,2,0,0,0,0|2,0,0]=4 105 B8R1.1 ClCN1C=C(Cl)C=N1 BBL040117 [0,2,0,0,0,0|1,0,0]=3 106 B8R1.1 OCN1C=C(Cl)C=N1 BBL039042 [0,2,0,0,0,0|1,0,0]=3 107 B8R1.7 O=C(O)C1=CNN=C1 BBL104304 [0,2,0,0,0,0|0,0,1]=3 108 B8R1.8 C=CCN1C=CN=C1 BBL027934 [0,2,0,0,0,0|2,0,0]=4 109 B8R1.8 CNCC1=CC=NN1 BBL040747 [0,2,0,0,0,0|2,0,0]=4 110 B8R1.8 CNCC1=CN=CN1 BBL036733 [0,2,0,0,0,0|2,0,0]=4 111 B8R1.8 NCCC1=CNC=N1 BBL004932 [0,2,0,0,0,0|2,0,0]=4 112 B8R1.11 CC1=C(CN)C=NN1 BBL008531 [0,2,0,0,0,0|0,0,0]=2 113 B8R1.11 CC1=C(CO)N=CN1 BBL013124 [0,2,0,0,0,0|2,0,0]=4 114 B8R1.11 CC1=NON=C1CCl BBL040908 [0,2,0,0,0,0|2,0,0]=4 115 B8R1.11 CC1=NON=C1CI BBL036814 [0,2,0,0,0,0|2,0,0]=4 116 B8R1.11 CCN1N=CC=C1C BBL039617 [0,2,0,0,0,0|2,0,0]=4 117 B8R1.11 CN1N=CC=C1CN BBL104311 [0,2,0,0,0,0|2,0,0]=4 118 B8R1.11 CN1N=CC=C1CO BBL040783 [0,2,0,0,0,0|2,0,0]=4 119 B8R1.11 N#CC1=C(N)NN=C1 BBL012129 [0,2,0,0,0,0|0,0,1]=3 120 B8R1.18 CC1=C(C)SC(Br)=N1 BBL031925 [0,2,0,0,0,0|2,0,0]=4 121 B8R1.18 CC1=CC(=O)OC1=O BBL011623 [0,2,0,0,0,0|2,0,0]=4 122 B8R1.18 CC1=NN(C)C=C1Br BBL016252 [0,2,0,0,0,0|1,0,0]=3 123 B8R1.18 CC1=NN(C)C=C1N BBL013092 [0,2,0,0,0,0|1,0,0]=3 124 B8R1.18 CN1C=C(Br)C(N)=N1 BBL040973 [0,2,0,0,0,0|1,0,0]=3 125 B8R1.18 CN1C=C(Cl)C(N)=N1 BBL040757 [0,2,0,0,0,0|1,0,0]=3 126 B8R1.50 CC1=C(Br)C(O)=NO1 BBL033323 [0,2,0,0,0,0|2,0,0]=4 127 B8R1.50 CC1=C(Br)C=NN1C BBL031474 [0,2,0,0,0,0|1,0,0]=3 128 B8R1.50 CC1=C(Cl)C(N)=NN1 BBL038991 [0,2,0,0,0,0|1,0,0]=3 129 B8R1.50 CC1=NNC(C)=C1N BBL005485 [0,2,0,0,0,0|1,0,0]=3 130 B8R1.50 CC1=NOC(C)=C1N BBL038495 [0,2,0,0,0,0|2,0,0]=4 131 B8R1.50 CN1C(=O)CNC1=S BBL041070 [0,2,0,0,0,0|2,0,0]=4 132 B8R1.50 CN1C=NC(Cl)=C1Cl BBL028128 [0,2,0,0,0,0|2,0,0]=4 133 B8R1.50 CN1C=NC(I)=C1I BBL029822 [0,2,0,0,0,0|2,0,0]=4 134 B6R1.1 C1=CN=CC=N1 BBL027560 [0,0,1,1,0,0|2,0,0]=4 135 B6R1.1 C1=CN=NC=C1 BBL027585 [0,0,1,1,0,0|0,0,2]=4