0 B8R1.8 CNCC1=CC=NN1 BBL040747 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.8 CNCC1=CN=CN1 BBL036733 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.8 ClCCN1C=CC=N1 BBL028326 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.8 NCCC1=CC=CS1 BBL001466 [0,0,0,0,0,0|0,0,0]=0 4 B8R1.8 NCCC1=CNC=N1 BBL004932 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.1 CCC1=NC=CN1 BBL027503 [1,0,0,0,0,0|2,0,0]=3 6 B7R1.1 CCN1C=CC=N1 BBL038143 [1,0,0,0,0,0|2,0,0]=3 7 B7R1.1 COC1=NC=CS1 BBL037422 [1,0,0,0,0,0|2,0,0]=3 8 B7R1.1 NCC1=CC=CO1 BBL011620 [1,0,0,0,0,0|0,1,0]=2 9 B7R1.1 NCC1=CC=NN1 BBL038226 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.7 CC1=CN(CCO)N=C1 BBL040971 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.7 CC1=CSC(CCN)=N1 BBL011116 [0,1,0,0,0,0|1,0,0]=2 12 B9R1.7 CC1=NN(CCCl)C=C1 BBL028809 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.7 CC1=NN(CCN)C=C1 BBL029476 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.7 CC1=NN(CCO)C=C1 BBL038002 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.7 CC1=NOC(CCN)=N1 BBL013311 [0,1,0,0,0,0|2,1,0]=4 16 B9R1.7 CCCN1C=CC(C)=N1 BBL028808 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.7 CCCN1C=CC(N)=N1 BBL010137 [0,1,0,0,0,0|3,0,0]=4 18 B9R1.7 CN1C=NC(CCN)=N1 BBL035095 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.7 NCCC1=NN=C(N)S1 BBL003890 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.7 NCCN1C=C(Br)C=N1 BBL038700 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.7 OCCN1C=C(Cl)C=N1 BBL104330 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.11 CCC(=O)C1=CC=CS1 BBL037420 [0,1,0,0,0,0|1,0,1]=3 23 B9R1.11 NNC(=O)C1=CC=CS1 BBL104270 [0,1,0,0,0,0|1,0,1]=3 24 B9R1.11 N\C(=N/O)C1=CC=CS1 BBL009345 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.12 CCNCC1=CC=CO1 BBL013868 [0,1,0,0,0,0|1,1,0]=3 26 B9R1.12 ClCCCN1C=CC=C1 BBL033037 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.12 NCCCC1=CC=CO1 BBL030544 [0,1,0,0,0,0|0,1,0]=2 28 B9R1.12 NCCCN1C=CC=N1 BBL016018 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.12 NCCCN1C=CN=C1 BBL027766 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.12 OCCCN1C=CC=N1 BBL001816 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.12 S=C=NCC1=CC=CO1 BBL009998 [0,1,0,0,0,0|1,1,1]=4 32 B9R1.13 CC(N)CC1=CC=CO1 BBL030348 [0,1,0,0,0,0|0,1,0]=2 33 B9R1.13 CC(N)CN1C=CC=N1 BBL040014 [0,1,0,0,0,0|2,0,0]=3 34 B9R1.13 O=C(Cl)CC1=CC=CS1 BBL027527 [0,1,0,0,0,0|1,0,1]=3 35 B9R1.33 CC1=CC=NN1CCCl BBL029773 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.33 CC1=CC=NN1CCN BBL030322 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.33 CC1=NC=CN1CCN BBL022416 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.33 CCCN1N=CC=C1C BBL040893 [0,1,0,0,0,0|3,0,0]=4 39 B9R2.3 C1=NC2=C(CCC2)N1 BBL035011 [0,0,0,1,0,0|3,0,0]=4 40 B9R2.3 C1=NNC2=C1CCC2 BBL011883 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.8 BrCCC1=CC=CC=C1 BBL027290 [0,0,0,0,0,1|2,0,0]=3 42 B9R1.8 CNCC1=NC=CC=C1 BBL029574 [0,0,0,0,0,1|3,0,0]=4 43 B9R1.8 COCC1=CC=CC=C1 BBL011461 [0,0,0,0,0,1|3,0,0]=4 44 B9R1.8 ClCCC1=CC=CC=C1 BBL027318 [0,0,0,0,0,1|2,0,0]=3 45 B9R1.8 NNCC1=CC=CC=C1 BBL029077 [0,0,0,0,0,1|2,0,0]=3 46 B9R1.8 NOCC1=CC=CC=C1 BBL040921 [0,0,0,0,0,1|2,0,0]=3 47 B9R1.8 OCCC1=CC=CC=C1 BBL036905 [0,0,0,0,0,1|2,0,0]=3 48 B9R1.8 OCCC1=NC=CC=C1 BBL027580 [0,0,0,0,0,1|2,0,0]=3 49 B6R1.2 BrC1=NC=CS1 BBL027513 [2,0,0,0,0,0|2,0,0]=4 50 B6R1.2 CC1=NC=CN1 BBL013047 [2,0,0,0,0,0|2,0,0]=4 51 B6R1.2 ClC1=CC=CS1 BBL027523 [2,0,0,0,0,0|1,0,0]=3 52 B6R1.2 NC1=CC=NN1 BBL008564 [2,0,0,0,0,0|2,0,0]=4 53 B6R1.2 NC1=NC=CN1 BBL029017 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.1 CC1=CSC(NN)=N1 BBL008199 [1,1,0,0,0,0|2,0,0]=4 55 B8R1.1 CC1=NC(CN)=CS1 BBL030475 [1,1,0,0,0,0|2,0,0]=4 56 B8R1.1 CCN1C=CC(N)=N1 BBL016220 [1,1,0,0,0,0|2,0,0]=4 57 B8R1.1 CN1C=CC(CN)=N1 BBL104303 [1,1,0,0,0,0|2,0,0]=4 58 B8R1.1 O=CC1=CC=C(Br)S1 BBL012655 [1,1,0,0,0,0|1,0,1]=4 59 B8R1.1 O=CC1=CC=C(Cl)S1 BBL037784 [1,1,0,0,0,0|1,0,1]=4 60 B8R1.7 CC(=O)C1=CC=CN1 BBL010104 [1,1,0,0,0,0|1,0,1]=4 61 B8R1.7 O=C(Cl)C1=CC=CS1 BBL011388 [1,1,0,0,0,0|1,0,1]=4 62 B8R1.11 CCN1N=CC=C1C BBL039617 [1,1,0,0,0,0|2,0,0]=4 63 B8R1.11 CCN1N=CC=C1N BBL040281 [1,1,0,0,0,0|2,0,0]=4 64 B8R1.11 CN1C=CC=C1CN BBL029743 [1,1,0,0,0,0|1,0,0]=3 65 B8R1.11 CN1N=CC=C1CN BBL104311 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.1 CC1=CC=C(CON)C=C1 BBL039158 [0,1,0,0,0,1|2,0,0]=4 67 B10R1.1 NC1=CC=C(CCO)C=C1 BBL036337 [0,1,0,0,0,1|2,0,0]=4 68 B10R1.1 NCCC1=CC=C(F)C=C1 BBL013000 [0,1,0,0,0,1|1,0,0]=3 69 B10R1.1 NCCC1=CC=C(O)C=C1 BBL027695 [0,1,0,0,0,1|1,0,0]=3 70 B10R1.10 NCCC1=CC=CC(F)=C1 BBL012999 [0,1,0,0,0,1|1,0,0]=3 71 B10R1.15 NCC(=O)C1=CC=CC=C1 BBL028098 [0,1,0,0,0,1|1,0,1]=4 72 B10R1.17 BrCCCC1=CC=CC=C1 BBL027292 [0,1,0,0,0,1|2,0,0]=4 73 B10R1.17 CCCNC1=CC=CC=C1 BBL012082 [0,1,0,0,0,1|2,0,0]=4 74 B10R1.17 CNCCC1=NC=CC=C1 BBL004908 [0,1,0,0,0,1|1,0,0]=3 75 B10R1.17 NCCNC1=NC=CC=N1 BBL010886 [0,1,0,0,0,1|1,0,0]=3 76 B10R1.17 NCCOC1=CC=CC=C1 BBL028054 [0,1,0,0,0,1|1,0,0]=3 77 B10R1.17 OCCNC1=CC=CC=C1 BBL011612 [0,1,0,0,0,1|2,0,0]=4 78 B10R1.17 OCCOC1=CC=CC=C1 BBL027410 [0,1,0,0,0,1|2,0,0]=4 79 B10R1.18 N=C(N)CC1=CC=CC=C1 BBL029167 [0,1,0,0,0,1|1,0,1]=4 80 B10R1.14 CC1=CC=C(C(=O)NN)S1 BBL017585 [0,2,0,0,0,0|1,0,1]=4 81 B10R1.14 CCC(=O)C1=CC=C(Br)S1 BBL037376 [0,2,0,0,0,0|1,0,1]=4 82 B10R1.14 CCC(=O)C1=CC=C(C)S1 BBL016562 [0,2,0,0,0,0|1,0,1]=4 83 B10R1.14 CCC(=O)C1=CC=C(Cl)S1 BBL016557 [0,2,0,0,0,0|1,0,1]=4 84 B10R1.14 CCC(N)C1=CC=C(Cl)S1 BBL017907 [0,2,0,0,0,0|1,0,0]=3 85 B10R1.14 NNC(=O)C1=CC(Br)=CS1 BBL038281 [0,2,0,0,0,0|1,0,1]=4 86 B10R1.14 NNC(=O)C1=CC=C(Br)S1 BBL016672 [0,2,0,0,0,0|1,0,1]=4 87 B10R1.14 NNC(=O)C1=CC=C(Cl)S1 BBL016080 [0,2,0,0,0,0|1,0,1]=4 88 B10R1.14 O=C(CCl)C1=CC=C(Cl)S1 BBL029191 [0,2,0,0,0,0|1,0,1]=4 89 B10R1.16 CC1=CN(CCCN)N=C1 BBL022422 [0,2,0,0,0,0|2,0,0]=4 90 B10R1.16 CC1=NN(CCCN)C=C1 BBL038532 [0,2,0,0,0,0|2,0,0]=4 91 B10R1.16 CCNCC1=CC=C(C)O1 BBL000395 [0,2,0,0,0,0|1,1,0]=4 92 B10R1.16 NCCCN1C=C(Br)C=N1 BBL038716 [0,2,0,0,0,0|2,0,0]=4 93 B10R1.54 CC1=CN(CC(C)N)N=C1 BBL038055 [0,2,0,0,0,0|2,0,0]=4 94 B10R1.54 CC1=CSC(CC(N)=S)=N1 BBL010252 [0,2,0,0,0,0|1,0,1]=4 95 B10R1.54 CC1=NN(CC(C)N)C=C1 BBL038054 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.130 CC1=CC(C)=NN1CCN BBL030285 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.11 CCCC(=O)C1=CC=CS1 BBL037633 [0,2,0,0,0,0|1,0,0]=3 98 B10R1.23 CC(C)C(=O)C1=CC=CS1 BBL039465 [0,2,0,0,0,0|1,0,1]=4 99 B10R1.23 NC(C(=O)O)C1=CC=CS1 BBL020456 [0,2,0,0,0,0|1,0,1]=4 100 B10R1.149 CC1=C(C(=O)NN)SC=C1 BBL016100 [0,2,0,0,0,0|1,0,1]=4 101 B10R1.149 CN1C=CN=C1C(O)CN BBL040114 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.21 CNCCCC1=CC=CO1 BBL030347 [0,2,0,0,0,0|0,1,0]=3 103 B10R1.21 OCCNCC1=CC=CO1 BBL000057 [0,2,0,0,0,0|1,1,0]=4 104 B10R1.21 S=C=NCCC1=CC=CS1 BBL015228 [0,2,0,0,0,0|0,0,1]=3 105 B10R1.27 CC(CN)CN1C=CC=N1 BBL040267 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.27 CCC(=O)CC1=CC=CO1 BBL029638 [0,2,0,0,0,0|1,1,0]=4 107 B10R1.27 NCC(=O)NC1=NC=CS1 BBL031633 [0,2,0,0,0,0|1,0,1]=4 108 B10R1.27 NNC(=O)CC1=CC=CS1 BBL015543 [0,2,0,0,0,0|0,0,1]=3 109 B10R1.29 CC1=CC=NN1CCCN BBL016187 [0,2,0,0,0,0|2,0,0]=4 110 B10R1.29 CNCCC1=C(C)N=CS1 BBL030894 [0,2,0,0,0,0|1,0,0]=3 111 B10R1.66 CC(=O)CCC1=CC=CO1 BBL028608 [0,2,0,0,0,0|1,1,0]=4 112 B10R1.66 CC(C)NCC1=CC=CO1 BBL030424 [0,2,0,0,0,0|1,1,0]=4 113 B10R1.66 CC(N)CCC1=CC=CO1 BBL028734 [0,2,0,0,0,0|0,1,0]=3 114 B10R1.66 O=C(O)CCC1=CC=CO1 BBL027515 [0,2,0,0,0,0|1,1,0]=4 115 B10R1.66 O=[N+]([O-])CCC1=CC=CO1 BBL030613 [0,2,0,0,0,0|0,1,1]=4 116 B8R1.2 NCC1=CC=CN=C1 BBL036897 [0,0,1,1,0,0|1,0,1]=4 117 B8R1.4 NC1=CC(S)=CC=C1 BBL027659 [0,0,1,1,0,0|0,0,2]=4