0 B9R1.8 CCC[N+]1=CC=CC=C1 243010 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.8 CCOC1=CC=CN=C1 180053 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.8 CNCC1=NC=CC=N1 076808 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.8 N#CC[N+]1=CC=CC=C1 181003 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.8 S=C=NC1=NC=CC=C1 101031 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.1 CC1=CN=C(CCO)C=C1 032578 [0,1,0,0,0,0|1,0,0]=2 6 B10R1.4 CNCC1=CC=CC=C1Cl 060304 [0,1,0,0,0,0|2,0,0]=3 7 B10R1.4 [O-][N+]1=CC=CC=C1CCO 180119 [0,1,0,0,0,0|1,0,1]=3 8 B10R1.10 C=CCC1=CC(Br)=CC=C1 200068 [0,1,0,0,0,0|1,0,2]=4 9 B10R1.10 CC1=CC=CC(CCBr)=C1 020899 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.10 CCCC1=CC(N)=NC=C1 024686 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.10 CCSC1=CC(C)=CC=C1 094840 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.10 CCSC1=CC(Cl)=CC=C1 095029 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.10 CNCC1=CC=CC(Cl)=C1 222557 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.10 [C-]#[N+]CC1=CC=CC(Cl)=C1 021061 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.15 C=C(CO)C1=CC=CC=N1 180101 [0,1,0,0,0,0|1,0,1]=3 16 B10R1.15 CCC(C)C1=NC=CC=C1 102205 [0,1,0,0,0,0|0,0,0]=1 17 B10R1.15 OC(CF)c1ccccc1 195755 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.15 [C-]#[N+][C@@H](C)C1=CC=CC=C1 021085 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.17 CCCCC1=CC=CC=N1 180367 [0,1,0,0,0,0|0,0,0]=1 20 B10R1.17 N#CCCC1=CC=NC=C1 024695 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.17 NCCOC1=CN=CC=C1 044845 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.17 O\N=C\CC1=CC=CC=C1 180100 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.18 CN(C)CC1=CC=CN=C1 024691 [0,1,0,0,0,0|3,0,0]=4 24 B10R2.6 C1=CC(C2CC2)=CC=N1 024707 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.3 BrC1=NC=NC=C1 080310 [2,0,0,0,0,0|2,0,0]=4 26 B7R1.3 N[N+]1=NC=CC=C1 102270 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.2 CCC1=CC(C)=CN=C1 180046 [1,1,0,0,0,0|2,0,0]=4 28 B9R1.6 CC(C)[N+]1=CC=CC=C1 184885 [1,1,0,0,0,0|2,0,0]=4 29 B9R1.15 CCC1=C(F)C=CC=C1 037698 [1,1,0,0,0,0|1,0,0]=3 30 B9R1.15 NCC1=CC=CC=C1Cl 209763 [1,1,0,0,0,0|2,0,0]=4 31 B9R1.7 CCCC1=NC=C(Br)N1 312919 [0,1,0,0,1,0|1,0,0]=3 32 B9R1.11 CC(CO)N1C=CC=N1 038543 [0,1,0,0,1,0|2,0,0]=4 33 B9R1.11 CCC(O)C1=CC=CO1 105062 [0,1,0,0,1,0|1,0,0]=3 34 B9R1.33 CN1C=CN=C1CCN 311105 [0,1,0,0,1,0|2,0,0]=4 35 B11R1.1 CCCCC1=CC=C(S)C=C1 023116 [0,2,0,0,0,0|1,0,0]=3 36 B11R1.1 CCCCC1=CN=C(C)C=C1 032636 [0,2,0,0,0,0|2,0,0]=4 37 B11R1.1 CCCSC1=CC=C(Cl)C=C1 094923 [0,2,0,0,0,0|1,0,0]=3 38 B11R1.1 CC\N=C\C1=CC=C(C)C=C1 180176 [0,2,0,0,0,0|1,0,1]=4 39 B11R1.1 COCOC1=CC=C(Br)C=C1 235426 [0,2,0,0,0,0|2,0,0]=4 40 B11R1.1 OCCCC1=CC=C(O)C=C1 209107 [0,2,0,0,0,0|1,0,0]=3 41 B11R1.20 C=C(C)CC1=CC=C(Cl)C=C1 200111 [0,2,0,0,0,0|1,0,1]=4 42 B11R1.20 CC(C)OC1=CC=C(F)C=C1 098420 [0,2,0,0,0,0|2,0,0]=4 43 B11R1.81 CCNC1=CC=C(Cl)C=C1N 017139 [0,2,0,0,0,0|2,0,0]=4 44 B11R1.81 CCOC1=C(F)C=C(Br)C=C1 070618 [0,2,0,0,0,0|2,0,0]=4 45 B11R1.81 CCOC1=C(F)C=C(I)C=C1 038780 [0,2,0,0,0,0|2,0,0]=4 46 B11R1.81 CCOC1=C(F)C=C(N)C=C1 038781 [0,2,0,0,0,0|2,0,0]=4 47 B11R1.83 COCC1=CC=C(C#N)C=C1 075988 [0,2,0,0,0,0|2,0,0]=4 48 B11R1.192 CCOC1=CC(F)=C(Br)C=C1 098318 [0,2,0,0,0,0|2,0,0]=4 49 B11R1.192 CCOC1=CC=C(Br)C(Cl)=C1 211586 [0,2,0,0,0,0|2,0,0]=4 50 B11R1.192 CCSC1=CC(Cl)=C(Cl)C=C1 094568 [0,2,0,0,0,0|2,0,0]=4 51 B11R1.192 NCCC1=CC(F)=C(Cl)C=C1 070560 [0,2,0,0,0,0|2,0,0]=4 52 B11R1.17 CC1=C(CCCO)C=CN=C1 180193 [0,2,0,0,0,0|2,0,0]=4 53 B11R1.17 CC1=CC=CC=C1OCCN 057697 [0,2,0,0,0,0|2,0,0]=4 54 B11R1.17 CCCSC1=C(Cl)C=CC=C1 094634 [0,2,0,0,0,0|1,0,0]=3 55 B11R1.17 COCCC1=[N+]([O-])C=CC=C1 180207 [0,2,0,0,0,0|0,0,1]=3 56 B11R1.41 CCSC1=C(CC)C=CC=C1 094764 [0,2,0,0,0,0|2,0,0]=4 57 B11R1.41 CCSC1=C(OC)C=CC=C1 094905 [0,2,0,0,0,0|2,0,0]=4 58 B11R1.41 COC1=CC=CN=C1CC#N 326063 [0,2,0,0,0,0|1,0,1]=4 59 B11R1.41 N#CC1=CC=CC=C1CCO 043962 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.182 CCOC1=C(I)C=CC(Br)=C1 038699 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.182 CCSC1=C(C)C=CC(C)=C1 094808 [0,2,0,0,0,0|2,0,0]=4 62 B11R1.182 CCSC1=C(Cl)C=CC(Cl)=C1 095076 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.222 COC(=O)C1=NC=CC=C1N 066881 [0,2,0,0,0,0|1,0,1]=4 64 B11R1.605 OCCC1=C(F)C=CC=C1F 233833 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.24 CC1=CC=CC(SCCO)=C1 019400 [0,2,0,0,0,0|2,0,0]=4 66 B11R1.24 CCCCC1=NC(F)=CC=C1 094605 [0,2,0,0,0,0|0,0,0]=2 67 B11R1.24 CCCSC1=CC(C)=CC=C1 094817 [0,2,0,0,0,0|1,0,0]=3 68 B11R1.24 CCCSC1=CC(Cl)=CC=C1 095027 [0,2,0,0,0,0|1,0,0]=3 69 B11R1.24 CCCSC1=CC=CC(Br)=C1 094806 [0,2,0,0,0,0|1,0,0]=3 70 B11R1.24 COCCC1=NC=CC(C)=C1 180192 [0,2,0,0,0,0|0,0,0]=2 71 B11R1.24 NCCOC1=CC=CC(F)=C1 059229 [0,2,0,0,0,0|2,0,0]=4 72 B11R1.34 CC1=CC(C)=NC(CCO)=C1 180194 [0,2,0,0,0,0|1,0,0]=3 73 B11R1.157 CC1=CC=CC(SC(C)C)=C1 094880 [0,2,0,0,0,0|2,0,0]=4 74 B11R1.189 CCSC1=CC(OC)=CC=C1 094566 [0,2,0,0,0,0|2,0,0]=4 75 B11R1.189 N#CC1=CC=CC(CCO)=C1 220542 [0,2,0,0,0,0|2,0,0]=4 76 B11R1.7 OCC(F)(F)C1=CC=CC=C1 246466 [0,2,0,0,0,0|2,0,0]=4 77 B11R1.16 CC(CCO)C1=CC=NC=C1 032552 [0,2,0,0,0,0|2,0,0]=4 78 B11R1.16 CCCC(C)C1=NC=CC=C1 102203 [0,2,0,0,0,0|0,0,0]=2 79 B11R1.16 C\C(=C/CO)C1=NC=CC=C1 099298 [0,2,0,0,0,0|0,0,2]=4 80 B11R1.36 CC(C)C(C)C1=NC=CC=C1 180184 [0,2,0,0,0,0|0,0,0]=2 81 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 209966 [0,2,0,0,0,0|1,0,0]=3 82 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 209970 [0,2,0,0,0,0|1,0,0]=3 83 B11R1.36 CN(C)C(=S)C1=NC=CC=C1 032576 [0,2,0,0,0,0|1,0,1]=4 84 B11R1.28 CCCSCC1=CC=CC=C1 094802 [0,2,0,0,0,0|1,0,0]=3 85 B11R1.28 COCCOC1=CC=CC=C1 336003 [0,2,0,0,0,0|1,0,0]=3 86 B11R1.40 CCC(C)SC1=CC=CC=C1 094611 [0,2,0,0,0,0|1,0,0]=3 87 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 048350 [0,2,0,0,0,0|1,0,0]=3 88 B11R1.91 CC(C)SCC1=CC=CC=C1 095090 [0,2,0,0,0,0|1,0,0]=3 89 B11R1.91 CC(O)CCC1=CC=NC=C1 105817 [0,2,0,0,0,0|2,0,0]=4 90 B11R2.35 CC1=NC=CC(C2CC2)=C1 188394 [0,1,0,1,0,0|2,0,0]=4 91 B11R2.4 CC1CC1C2=CC=NC=C2 032688 [0,1,0,1,0,0|2,0,0]=4 92 B11R2.40 CC1(C2=CC=NC=C2)CC1 032665 [0,1,0,1,0,0|2,0,0]=4 93 B7R1.1 NCC1=CSC=N1 358537 [1,0,0,0,1,0|2,0,0]=4