0 B9R1.8 N#CCC1=NC=CC=C1 BB53-1348 [0,0,0,0,0,0|1,0,1]=2 1 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 BB56-0588 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 BB56-1200 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.1 CNCC1=CC=C(Cl)N=C1 BB53-1663 [0,1,0,0,0,0|3,0,0]=4 4 B10R1.1 CNCC1=CC=C(O)C=C1 BB12-1375 [0,1,0,0,0,0|2,0,0]=3 5 B10R1.1 CSCC1=CC=C(Cl)N=C1 BB53-1554 [0,1,0,0,0,0|3,0,0]=4 6 B10R1.1 N#CCC1=CC=C(N)C=C1 BB12-4851 [0,1,0,0,0,0|2,0,1]=4 7 B10R1.1 [C-]#[N+]CC1=CC=C(Cl)C=C1 BB56-1770 [0,1,0,0,0,0|2,0,1]=4 8 B10R1.4 CC1=CC=CC=C1CCN BB12-2271 [0,1,0,0,0,0|2,0,0]=3 9 B10R1.4 CCNC1=CC=CC=C1N BB12-3022 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.10 CCSC1=NC(N)=CC=N1 BB12-1744 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.10 CNCC1=CC(O)=CC=C1 BB12-1357 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.15 CC(C=O)C1=CC=CC=C1 BB17-2274 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.15 CCC(=O)C1=NC=CC=C1 BB12-2185 [0,1,0,0,0,0|0,0,1]=2 14 B10R1.15 CNC(C)C1=CC=CC=C1 BB12-1671 [0,1,0,0,0,0|2,0,0]=3 15 B10R1.15 COC(=N)C1=NC=CN=C1 BB12-1722 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.15 NC(CO)C1=CC=CC=C1 BB01-6618 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.15 NCC(=O)C1=CC=CC=C1 BB26-0680 [0,1,0,0,0,0|2,0,1]=4 18 B10R1.15 N\C(=N/O)C1=NC=CC=C1 BB12-3473 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.17 BrCCOC1=CC=CC=C1 BB17-1654 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.17 N#CCCC1=NC=CC=C1 BB12-1756 [0,1,0,0,0,0|0,0,1]=2 21 B10R1.17 NC\C=C\C1=CC=CC=C1 BB12-1612 [0,1,0,0,0,0|1,0,2]=4 22 B10R1.17 [C-]#[N+]CCC1=CC=NC=C1 BB56-1803 [0,1,0,0,0,0|2,0,1]=4 23 B10R2.7 C1=CC2=C(N=C1)NC=C2 BB12-3415 [0,0,0,1,0,0|1,0,2]=4 24 B8R1.8 BrCCN1C=CN=C1 BB12-2762 [0,0,0,0,1,0|3,0,0]=4 25 B8R1.8 CCCC1=CNN=C1 BB12-3540 [0,0,0,0,1,0|2,0,0]=3 26 B8R1.8 CCCN1C=CN=C1 BB12-1504 [0,0,0,0,1,0|2,0,0]=3 27 B8R1.8 N#CCC1=CSC=C1 BB20-4629 [0,0,0,0,1,0|2,0,1]=4 28 B8R1.8 NCCC1=CC=CO1 BB01-5388 [0,0,0,0,1,0|2,0,0]=3 29 B8R1.8 NCCN1C=CN=C1 BB56-2159 [0,0,0,0,1,0|3,0,0]=4 30 B8R1.8 NCCN1C=CN=C1 BB56-2917 [0,0,0,0,1,0|3,0,0]=4 31 B7R1.3 CC1=CC=NC=N1 BB17-0193 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.1 CC1=CN=C(C=O)C=C1 BB12-2174 [1,1,0,0,0,0|1,0,1]=4 33 B9R1.1 N#CC1=CC=C(N)C=N1 BB01-7921 [1,1,0,0,0,0|1,0,1]=4 34 B9R1.1 NCC1=CC=C(O)C=C1 BB12-1603 [1,1,0,0,0,0|2,0,0]=4 35 B9R1.1 NNC1=NC=C(F)C=C1 BB12-1190 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.2 CCC1=CC=NC(N)=N1 BB12-3720 [1,1,0,0,0,0|1,0,0]=3 37 B9R1.2 CCC1=CC=NC(O)=N1 BB12-3719 [1,1,0,0,0,0|1,0,0]=3 38 B9R1.2 CNC1=CC(F)=CC=C1 BB01-7291 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.2 COC1=NC(Cl)=NC=C1 BB10-0746 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.2 COC1=NC=CC(N)=N1 BB20-3494 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.2 CSC1=NC(C)=CC=N1 BB12-1624 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.2 NC1=NC(CO)=CC=N1 BB12-1255 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.2 NCC1=CC=CC(Cl)=C1 BB01-4636 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.2 NCC1=CC=NC(N)=N1 BB12-1254 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.15 CNC1=C(C)C=CC=C1 BB01-7286 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.15 CNC1=CC=CC=C1N BB12-2750 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.15 CNC1=NC=CC=C1Cl BB12-1745 [1,1,0,0,0,0|1,0,0]=3 48 B9R1.15 CNC1=NC=CN=C1Cl BB12-1107 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.7 CCCC1=NC(Br)=CN1 BB12-3517 [0,1,0,0,1,0|1,0,0]=3 50 B9R1.7 CCCC1=NC(N)=NO1 BB12-3446 [0,1,0,0,1,0|2,0,0]=4 51 B9R1.7 CCCC1=NN=C(O)O1 BB12-3090 [0,1,0,0,1,0|2,0,0]=4 52 B9R1.7 CCCN1C=C(N)C=N1 BB12-1645 [0,1,0,0,1,0|1,0,0]=3 53 B9R1.7 CCCN1C=CC(N)=N1 BB55-3923 [0,1,0,0,1,0|1,0,0]=3 54 B9R1.12 BrCCCN1C=CC=N1 BB12-3122 [0,1,0,0,1,0|1,0,0]=3 55 B9R1.12 CCCCN1C=CN=C1 BB12-1487 [0,1,0,0,1,0|2,0,0]=4 56 B9R1.12 CCNCC1=CSC=N1 BB12-3138 [0,1,0,0,1,0|1,0,0]=3 57 B9R1.12 NCCCN1C=CC=N1 BB56-2920 [0,1,0,0,1,0|1,0,0]=3 58 B9R1.12 NCCCN1C=NC=N1 BB12-1299 [0,1,0,0,1,0|2,0,0]=4 59 B9R1.13 CC(=O)CC1=CC=CS1 BB12-3710 [0,1,0,0,1,0|1,0,1]=4 60 B9R1.13 CC(C)CC1=NC=CN1 BB12-2831 [0,1,0,0,1,0|1,0,0]=3 61 B9R1.13 CN(C)CC1=CC=CN1 BB12-1785 [0,1,0,0,1,0|1,0,1]=4 62 B9R1.33 CN1C=CC=C1CCO BB90-0117 [0,1,0,0,1,0|1,0,1]=4 63 B11R1.1 BrCCOC1=CC=C(Br)C=C1 BB17-1661 [0,2,0,0,0,0|2,0,0]=4 64 B11R1.1 CC1=CC=C(NCCO)C=C1 BB17-0653 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.1 CC1=CC=C(SCCN)C=C1 BB53-1425 [0,2,0,0,0,0|2,0,0]=4 66 B11R1.1 ClC1=CC=C(OCCBr)C=C1 BB17-1649 [0,2,0,0,0,0|2,0,0]=4 67 B11R1.1 NCCOC1=CC=C(N)C=C1 BB53-1635 [0,2,0,0,0,0|2,0,0]=4 68 B11R1.1 NCCSC1=CC=C(Cl)C=C1 BB56-2705 [0,2,0,0,0,0|2,0,0]=4 69 B11R1.1 OCCNC1=CC=C(Cl)C=C1 BB17-0633 [0,2,0,0,0,0|2,0,0]=4 70 B11R1.22 CC1=CC=C(C(N)CO)C=C1 BB56-2094 [0,2,0,0,0,0|2,0,0]=4 71 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 BB17-2353 [0,2,0,0,0,0|1,0,1]=4 72 B11R1.22 CNC(C)C1=CC=C(F)C=C1 BB12-1331 [0,2,0,0,0,0|2,0,0]=4 73 B11R1.22 COC(=O)C1=CC=C(O)C=N1 BB56-2624 [0,2,0,0,0,0|1,0,1]=4 74 B11R1.22 NC(CO)C1=CC=C(Br)C=C1 BB56-2167 [0,2,0,0,0,0|2,0,0]=4 75 B11R1.22 NC(CO)C1=CC=C(Cl)C=C1 BB56-2226 [0,2,0,0,0,0|2,0,0]=4 76 B11R1.22 NC(CO)C1=CC=C(F)C=C1 BB12-1444 [0,2,0,0,0,0|2,0,0]=4 77 B11R1.81 CCNC1=CC=C(F)C=C1Cl BB01-7294 [0,2,0,0,0,0|2,0,0]=4 78 B11R1.81 CCOC1=C(N)C=C(C)C=C1 BB17-1893 [0,2,0,0,0,0|2,0,0]=4 79 B11R1.81 CCOC1=C(N)C=C(Cl)C=C1 BB17-1894 [0,2,0,0,0,0|2,0,0]=4 80 B11R1.83 [C-]#[N+]C1=CC=C(OCC)C=C1 BB56-1768 [0,2,0,0,0,0|2,0,0]=4 81 B11R1.17 ClC1=C(OCCBr)C=CC=C1 BB17-1653 [0,2,0,0,0,0|2,0,0]=4 82 B11R1.41 CCOC1=CC=CC=C1NN BB56-0057 [0,2,0,0,0,0|2,0,0]=4 83 B11R1.182 CCNC1=C(F)C=NC(Cl)=N1 BB12-1228 [0,2,0,0,0,0|2,0,0]=4 84 B11R1.182 CCNC1=CC(C)=CC=C1C BB01-7293 [0,2,0,0,0,0|2,0,0]=4 85 B11R1.222 COC(=O)C1=NC=CC=C1O BB17-0205 [0,2,0,0,0,0|1,0,1]=4 86 B11R1.222 NC(CO)C1=CC=CC=C1F BB56-2224 [0,2,0,0,0,0|2,0,0]=4 87 B11R1.24 CC1=CC=CC(OCCBr)=C1 BB17-1659 [0,2,0,0,0,0|2,0,0]=4 88 B11R1.24 CCCOC1=CC=NC(S)=N1 BB53-1607 [0,2,0,0,0,0|1,0,0]=3 89 B11R1.34 CCCC1=NC(C)=CC(O)=N1 BB10-0632 [0,2,0,0,0,0|1,0,0]=3 90 B11R1.34 COCC1=CC(O)=NC(N)=N1 BB10-0638 [0,2,0,0,0,0|2,0,0]=4 91 B11R1.34 COCC1=NC(N)=NC(C)=C1 BB52-7107 [0,2,0,0,0,0|2,0,0]=4 92 B11R1.189 COC1=CC=CC(CCN)=C1 BB12-0768 [0,2,0,0,0,0|2,0,0]=4 93 B11R1.16 CN(CCN)C1=CC=CC=C1 BB56-2834 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.16 CNCC(O)C1=CC=CC=C1 BB12-2195 [0,2,0,0,0,0|1,0,0]=3 95 B11R1.16 OC(CCCl)C1=CC=CC=C1 BB12-1401 [0,2,0,0,0,0|1,0,0]=3 96 B11R1.28 C=CCNCC1=CC=CC=C1 BB20-4594 [0,2,0,0,0,0|1,0,1]=4 97 B11R1.28 NCCSCC1=CC=CC=C1 BB53-1385 [0,2,0,0,0,0|1,0,0]=3 98 B11R1.28 OCCNCC1=CC=CC=C1 BB17-0809 [0,2,0,0,0,0|1,0,0]=3 99 B11R1.40 CCC(N)CC1=CC=CC=C1 BB17-0798 [0,2,0,0,0,0|1,0,0]=3 100 B11R1.40 NC(CO)CC1=CC=CC=C1 BB01-6619 [0,2,0,0,0,0|1,0,0]=3 101 B11R1.40 NNC(=O)CC1=NC=CC=C1 BB12-2162 [0,2,0,0,0,0|1,0,1]=4 102 B11R1.91 CC(N)\C=C\C1=CC=CC=C1 BB12-1707 [0,2,0,0,0,0|1,0,1]=4 103 B11R1.91 O=C(Cl)CSC1=NC=CC=C1 BB12-3011 [0,2,0,0,0,0|1,0,1]=4 104 B9R2.2 C1=NC(C2CC2)=NN1 BB12-3428 [0,0,0,1,1,0|2,0,0]=4 105 B9R2.3 C1=C2CCCC2=NN1 BB12-4185 [0,0,0,1,1,0|1,0,0]=3 106 B11R2.36 NC1=CC=C2COCC2=C1 BB01-4521 [0,1,0,1,0,0|2,0,0]=4 107 B11R2.10 CC1=NC2=CC=CN=C2N1 BB12-2830 [0,1,0,1,0,0|1,0,1]=4 108 B7R1.1 CCC1=CNN=C1 BB12-3535 [1,0,0,0,1,0|2,0,0]=4 109 B7R1.1 CCC1=NNC=C1 BB12-3522 [1,0,0,0,1,0|1,0,0]=3 110 B7R1.1 CCC1=NNC=N1 BB12-3398 [1,0,0,0,1,0|2,0,0]=4 111 B7R1.1 NCC1=NC=CN1 BB12-2726 [1,0,0,0,1,0|2,0,0]=4 112 B7R1.1 OCC1=COC=C1 BB12-2281 [1,0,0,0,1,0|2,0,0]=4