0 B10R1.15 CC(C=O)C1=CC=CC=C1 BB17-2274 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.15 CCC(=O)C1=NC=CC=C1 BB12-2185 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.15 CNC(C)C1=CC=CC=C1 BB12-1671 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.15 N=C(NO)C1=CC=CC=C1 BB20-3129 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.15 NC(CO)C1=CC=CC=C1 BB01-6618 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.15 NCC(=O)C1=CC=CC=C1 BB26-0680 [0,0,0,0,0,0|1,0,1]=2 6 B10R1.15 NNC(=O)C1=CC=CC=C1 BB20-4243 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.15 N\N=C(/N)C1=CC=CC=C1 BB10-1016 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.15 [C-]#[N+]C(C)C1=CC=NC=C1 BB56-1680 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.6 NC(=S)C1=CC=NC=C1 BB12-3482 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.6 NC(=S)C1=CN=CC=C1 BB12-3483 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.8 N#CCC1=NC=CC=C1 BB53-1348 [1,0,0,0,0,0|1,0,2]=4 12 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 BB56-0588 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 BB56-1200 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.16 CC(N=C=O)C1=CC=CC=C1 BB12-1551 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.16 CN(CCN)C1=CC=CC=C1 BB56-2834 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.16 CNCC(O)C1=CC=CC=C1 BB12-2195 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.16 OC(CCCl)C1=CC=CC=C1 BB12-1401 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 BB53-4156 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 BB12-2577 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.22 CC1=CC=C(C(N)CO)C=C1 BB56-2094 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 BB17-2353 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.22 CNC(C)C1=CC=C(F)C=C1 BB12-1331 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.22 NC(CO)C1=CC=C(Br)C=C1 BB56-2167 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.22 NC(CO)C1=CC=C(Cl)C=C1 BB56-2226 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.22 NC(CO)C1=CC=C(F)C=C1 BB12-1444 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BB26-0169 [0,1,0,0,0,0|1,0,1]=3 27 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 BB12-2695 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.22 NNC(=O)C1=CC=C(I)C=C1 BB17-2382 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 BB01-6328 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 BB53-4155 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.22 O=C(CBr)C1=CC=C(I)C=C1 BB20-3112 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 BB01-6260 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.22 [C-]#[N+]C(C)C1=CC=C(Cl)C=C1 BB56-1668 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.23 CC1=CC(C(=O)NN)=CC=C1 BB12-2533 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.23 [C-]#[N+]C(C)C1=CC(Cl)=CC=C1 BB56-1669 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 BB20-4534 [0,1,0,0,0,0|1,0,1]=3 37 B11R1.222 NC(CO)C1=CC=CC=C1F BB56-2224 [0,1,0,0,0,0|2,0,0]=3 38 B11R2.1 NC1=NNC2=C1C=CC=C2 BB26-0849 [0,0,0,1,0,0|2,0,1]=4 39 B11R1.40 CCC(N)CC1=CC=CC=C1 BB17-0798 [0,0,0,0,0,1|2,0,0]=3 40 B11R1.40 NC(CO)CC1=CC=CC=C1 BB01-6619 [0,0,0,0,0,1|2,0,0]=3 41 B11R1.40 NNC(=S)NC1=CC=CC=C1 BB12-2786 [0,0,0,0,0,1|2,0,1]=4 42 B11R1.40 O=C(CS)NC1=CC=CC=C1 BB12-3947 [0,0,0,0,0,1|2,0,1]=4 43 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB17-2376 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.13 CC(O)C1=CC=C(N)C=C1 BB12-2291 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.13 CC1=CC=C(C(=N)N)C=C1 BB20-3270 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.61 CN(C)C1=C(N)C=CC=C1 BB12-1582 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.61 CN(C)C1=NC=CC=C1N BB12-1642 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.113 CC(C)C1=CC=NC(N)=N1 BB12-3696 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.113 CC(C)C1=CC=NC(O)=N1 BB12-3691 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.113 CC(N)C1=CC(Br)=CC=C1 BB53-1527 [1,1,0,0,0,0|0,0,0]=2 51 B10R1.1 CNCC1=CC=C(O)C=C1 BB12-1375 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.1 N#CCC1=CC=C(N)C=C1 BB12-4851 [1,1,0,0,0,0|0,0,2]=4 53 B10R1.1 [C-]#[N+]CC1=CC=C(Cl)C=C1 BB56-1770 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.4 CC1=CC=CC=C1CCN BB12-2271 [1,1,0,0,0,0|0,0,0]=2 55 B10R1.4 CCNC1=CC=CC=C1N BB12-3022 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.10 CNCC1=CC(O)=CC=C1 BB12-1357 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.17 BrCCOC1=CC=CC=C1 BB17-1654 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.17 N#CCCC1=NC=CC=C1 BB12-1756 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.17 NC\C=C\C1=CC=CC=C1 BB12-1612 [1,1,0,0,0,0|0,0,1]=3 60 B10R1.17 [C-]#[N+]CCC1=CC=NC=C1 BB56-1803 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.11 CC(CCN)N1C=CN=C1 BB12-1304 [0,1,0,0,1,0|2,0,0]=4 62 B12R1.9 CC(N)(CO)C1=CC=C(F)C=C1 BB56-2780 [0,2,0,0,0,0|1,0,0]=3 63 B12R1.30 CN(CCCN)C1=CC=CC=C1 BB01-5316 [0,2,0,0,0,0|1,0,0]=3 64 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 BB12-1278 [0,2,0,0,0,0|2,0,0]=4 65 B12R1.5 CCC(C)C1=CC=C(NN)C=C1 BB56-0337 [0,2,0,0,0,0|1,0,0]=3 66 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 BB26-0170 [0,2,0,0,0,0|1,0,1]=4 67 B12R1.5 CSC1=CC=C(C(N)CO)C=C1 BB56-2165 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.367 CC1=CC=C(C(N)CO)C=C1C BB56-2162 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.1703 CC1=CC=C(C(N)CO)C(C)=C1 BB56-2161 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.435 COC1=CC(C(=O)CN)=CC=C1 BB26-0152 [0,2,0,0,0,0|1,0,1]=4 71 B12R1.77 COC1=CC=CC=C1C(N)CO BB56-2225 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.77 [C-]#[N+]C1=C(C(C)CC)C=CC=C1 BB56-1667 [0,2,0,0,0,0|1,0,0]=3 73 B10R2.7 C1=CC2=C(C=C1)NN=N2 BB01-6327 [1,0,0,1,0,0|2,0,0]=4 74 B12R2.18 CC1CC2=CC=CC=C2C1=O BB12-2283 [0,0,0,1,0,1|1,0,1]=4 75 B12R2.32 CNC1CC2=CC=CC=C2C1 BB53-1624 [0,0,0,1,0,1|2,0,0]=4 76 B12R2.32 NCC1=NC2=CC=CC=C2N1 BB12-2371 [0,0,0,1,0,1|1,0,1]=4 77 B12R2.48 OCC1(C2=CC=CC=C2)CC1 BB90-0130 [0,1,0,1,0,0|1,0,0]=3 78 B12R2.2 C1=CC(C2CCCN2)=CC=N1 BB56-0307 [0,1,0,1,0,0|2,0,0]=4 79 B12R2.2 C1=CC=C(C2CCCN2)C=C1 BB01-4666 [0,1,0,1,0,0|1,0,0]=3 80 B12R2.2 C1=CN=C(C2CCCN2)C=C1 BB56-1572 [0,1,0,1,0,0|2,0,0]=4 81 B8R1.7 CC(C)C1=CC=NN1 BB12-3679 [1,0,0,0,1,0|2,0,0]=4 82 B8R1.8 NCCC1=CC=CO1 BB01-5388 [1,0,0,0,1,0|1,0,0]=3 83 B8R1.8 NCCN1C=CN=C1 BB56-2159 [1,0,0,0,1,0|2,0,0]=4 84 B8R1.8 NCCN1C=CN=C1 BB56-2917 [1,0,0,0,1,0|2,0,0]=4