0 B9R1.2 CCC1=CC(C)=CN=C1 180046 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.2 C[N+]1=CC(CO)=CC=C1 181608 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.4 NC1=NC(Br)=CN=C1 076762 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.2 CCC1=CC=CC(C)=C1I 038641 [0,1,0,0,0,0|2,0,0]=3 4 B10R1.8 CC1=CC(CN)=CC(Cl)=C1 062796 [0,1,0,0,0,0|3,0,0]=4 5 B10R1.8 CCC1=CC(Br)=CC(C)=C1 038642 [0,1,0,0,0,0|2,0,0]=3 6 B10R1.10 CC1=CC=CC(CCBr)=C1 020899 [0,1,0,0,0,0|2,0,0]=3 7 B10R1.10 CCSC1=CC(C)=CC=C1 094840 [0,1,0,0,0,0|2,0,0]=3 8 B10R1.10 CCSC1=CC(Cl)=CC=C1 095029 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.10 CNCC1=CC=CC(Cl)=C1 222557 [0,1,0,0,0,0|3,0,0]=4 10 B10R1.30 CCC1=C(F)C=CC(F)=C1 105468 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.30 COC1=CC(C)=CC=C1I 038666 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.30 COC1=NC(Cl)=CN=C1N 076801 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.30 CSC1=CC(C)=NN=C1C 189294 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.113 O=C(O)C1=CN=CC(Br)=N1 094451 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.176 CC1=CC=C(C#N)N=C1C 075590 [0,1,0,0,0,0|2,0,1]=4 16 B8R1.1 BrCC1=CN=C(Br)S1 230460 [0,0,0,0,1,0|3,0,0]=4 17 B8R1.1 CC1=CSC(CN)=N1 031058 [0,0,0,0,1,0|2,0,0]=3 18 B8R1.1 CN1C=CC(CN)=N1 030481 [0,0,0,0,1,0|2,0,0]=3 19 B9R1.1 N#CC1=CN=C(Cl)C=N1 076064 [1,1,0,0,0,0|1,0,1]=4 20 B9R1.8 CCOC1=CC=CN=C1 180053 [1,1,0,0,0,0|1,0,0]=3 21 B9R1.8 CNCC1=NC=CC=N1 076808 [1,1,0,0,0,0|2,0,0]=4 22 B9R1.15 CCC1=C(F)C=CC=C1 037698 [1,1,0,0,0,0|2,0,0]=4 23 B9R1.34 CC1=CC(C)=[O+]C(C)=C1 181073 [1,1,0,0,0,0|2,0,0]=4 24 B9R1.69 CC1=CC=C(C)C(N)=N1 032657 [1,1,0,0,0,0|2,0,0]=4 25 B9R1.69 CC1=NC(Br)=CN=C1N 076383 [1,1,0,0,0,0|1,0,0]=3 26 B9R1.7 CCCC1=NC=C(Br)N1 312919 [0,1,0,0,1,0|1,0,1]=4 27 B9R1.7 CCOC1=NC(N)=NS1 024044 [0,1,0,0,1,0|2,0,0]=4 28 B9R1.7 CCSC1=NC(N)=NS1 024046 [0,1,0,0,1,0|2,0,0]=4 29 B9R1.7 CNCC1=CN(C)N=C1 038553 [0,1,0,0,1,0|2,0,0]=4 30 B11R1.265 CCC1=CC=CC(C)=C1C=O 038660 [0,2,0,0,0,0|2,0,0]=4 31 B11R1.34 CC1=CC(C)=NC(CCO)=C1 180194 [0,2,0,0,0,0|1,0,0]=3 32 B11R1.24 CC1=CC=CC(SCCO)=C1 019400 [0,2,0,0,0,0|2,0,0]=4 33 B11R1.24 CCCCC1=NC(F)=CC=C1 094605 [0,2,0,0,0,0|2,0,0]=4 34 B11R1.24 CCCSC1=CC(C)=CC=C1 094817 [0,2,0,0,0,0|2,0,0]=4 35 B11R1.157 CC1=CC=CC(SC(C)C)=C1 094880 [0,2,0,0,0,0|2,0,0]=4 36 B11R1.182 CCSC1=C(C)C=CC(C)=C1 094808 [0,2,0,0,0,0|2,0,0]=4 37 B11R1.189 CCSC1=CC(OC)=CC=C1 094566 [0,2,0,0,0,0|2,0,0]=4 38 B11R1.167 CC1=CN=C(F)C(C(F)F)=C1 099975 [0,2,0,0,0,0|2,0,0]=4 39 B11R1.155 FC(F)(F)C1=NC(Br)=CN=C1 075801 [0,2,0,0,0,0|2,0,0]=4 40 B11R1.155 NC1=NC(C(F)(F)F)=CN=C1 338162 [0,2,0,0,0,0|2,0,0]=4 41 B7R1.1 NCC1=CSC=N1 358537 [1,0,0,0,1,0|2,0,0]=4 42 B7R1.1 OCN1C=NC=N1 180008 [1,0,0,0,1,0|2,0,0]=4 43 B7R1.2 CC1=CC=C([Mg+])S1 399696 [1,0,0,0,1,0|2,0,0]=4 44 B7R1.2 CC1=CN(C)C=N1 075144 [1,0,0,0,1,0|2,0,0]=4