0 B10R1.17 BrCCCC1=CN=CC=C1 BB54-3595 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.17 BrCCOC1=CC=CC=C1 BB17-1654 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.17 ClCCCC1=CC=NC=C1 BB57-3431 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.17 N#CCCC1=NC=CC=C1 BB12-1756 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.17 N#CNCC1=CN=CC=C1 BB12-1080 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.17 NCCCC1=CC=CC=N1 BB54-0788 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.17 NCCCC1=CC=NC=C1 BB57-3430 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.17 NC\C=C\C1=CC=CC=C1 BB12-1612 [0,0,0,0,0,0|1,0,2]=3 8 B10R1.17 OCCCC1=CC=NC=C1 BB57-6720 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.17 [C-]#[N+]CCC1=CC=NC=C1 BB56-1803 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.8 BrCCC1=NC=CC=C1 BB54-3597 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.8 CCNC1=CC=CN=C1 BB58-1378 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.8 CNCC1=NC=CC=C1 BB55-7031 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.8 CNCC1=NC=CN=C1 BB54-5692 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.8 CNCC1=NC=NC=C1 BB57-2309 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.8 ClCCC1=NC=CC=C1 BB54-3546 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 N#CCC1=CC=CN=C1 BB54-4766 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.8 N#CCC1=NC=CC=C1 BB53-1348 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 NCCC1=NC=CN=C1 BB55-7667 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.8 NOCC1=CC=CC=C1 BB05-2313 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 OCCC1=NC=CC=C1 BB01-4800 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.8 OCCC1=NC=CN=C1 BB57-7201 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 ON=CC1=CC=CN=C1 BB01-2791 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 BB56-0588 [1,0,0,0,0,0|1,0,1]=3 24 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 BB56-1200 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.1 BrCCOC1=CC=C(Br)C=C1 BB17-1661 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.1 C(=O)NCC1=CC=C(C)C=C1 BB20-3386 [0,1,0,0,0,0|1,0,2]=4 27 B11R1.1 C=CCOC1=CC=C(Br)C=C1 BB58-0374 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.1 C=CCOC1=CC=C(Cl)C=C1 BB31-2474 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.1 C=CCOC1=CC=C(O)C=C1 BB20-1078 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.1 CC1=CC=C(CCCN)C=C1 BB58-0569 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.1 CC1=CC=C(CCCO)C=C1 BB32-2521 [0,1,0,0,0,0|0,0,0]=1 32 B11R1.1 CC1=CC=C(CNC#N)C=C1 BB12-1087 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.1 CC1=CC=C(NCCO)C=C1 BB17-0653 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.1 CC1=CC=C(OCCN)C=C1 BB54-2444 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.1 CC1=CC=C(SCCN)C=C1 BB53-1425 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.1 ClC1=CC=C(OCCBr)C=C1 BB17-1649 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.1 N#CCCN1C=CC(=O)C=C1 BB57-7134 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.1 N#CNCC1=CC=C(Cl)C=C1 BB12-1085 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.1 N#CNCC1=CC=C(F)C=C1 BB12-1083 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.1 NC1=CC=C(OCCO)C=C1 BB58-1793 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.1 NCCCC1=CC=C(Cl)C=C1 BB54-2040 [0,1,0,0,0,0|1,0,0]=2 42 B11R1.1 NCCCC1=CC=C(F)C=C1 BB58-0570 [0,1,0,0,0,0|1,0,0]=2 43 B11R1.1 NCCOC1=CC=C(Cl)C=C1 BB57-6657 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.1 NCCOC1=CC=C(F)C=C1 BB54-2456 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.1 NCCOC1=CC=C(N)C=C1 BB53-1635 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.1 NCCSC1=CC=C(Cl)C=C1 BB56-2705 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.1 OCCNC1=CC=C(Cl)C=C1 BB17-0633 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.16 CC(N=C=O)C1=CC=CC=C1 BB12-1551 [0,1,0,0,0,0|1,0,2]=4 49 B11R1.16 CN(CCN)C1=CC=CC=C1 BB56-2834 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.16 CNCC(O)C1=CC=CC=C1 BB12-2195 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.16 OC(C#CBr)C1=CC=CC=C1 BB54-1497 [0,1,0,0,0,0|1,0,2]=4 52 B11R1.16 OC(CCCl)C1=CC=CC=C1 BB12-1401 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.17 CC1=C(OCCN)C=CC=C1 BB54-2356 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.17 CC1=CC=CC=C1CNC#N BB12-1086 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.17 ClC1=C(OCCBr)C=CC=C1 BB17-1653 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.17 N#CCCN1C=CC=CC1=O BB57-6512 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.17 N#CNCC1=CC=CC=C1Cl BB12-1084 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.17 N#CNCC1=CC=CC=C1F BB12-1082 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.17 NC1=CC=CC=C1OCCO BB05-3292 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.17 NCCCC1=C(Cl)C=CC=C1 BB58-0571 [0,1,0,0,0,0|1,0,0]=2 61 B11R1.17 NCCCN1C=CC=CC1=O BB57-6517 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.17 NCCOC1=C(F)C=CC=C1 BB55-4836 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.17 NCCOC1=CC=CC=C1Cl BB55-4833 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.24 C=CCOC1=CC=CC(N)=C1 BB57-1181 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.24 CC1=CC=CC(CCCN)=C1 BB58-0568 [0,1,0,0,0,0|1,0,0]=2 66 B11R1.24 CC1=CC=CC(CCCO)=C1 BB31-8239 [0,1,0,0,0,0|0,0,0]=1 67 B11R1.24 CC1=CC=CC(OCCBr)=C1 BB17-1659 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.24 CC1=CC=CC(OCCN)=C1 BB54-2355 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.24 ClC1=CC=CC(CCCBr)=C1 BB31-7544 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.24 N#CCCC1=CC=CC(Br)=C1 BB32-1657 [0,1,0,0,0,0|1,0,1]=3 71 B11R1.24 NC1=CC=CC(C\C=N\O)=N1 BB55-5137 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.24 NCCOC1=CC(Br)=CC=C1 BB58-0114 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.24 NCCOC1=CC(Cl)=CC=C1 BB55-4884 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.24 NCCOC1=CC(F)=CC=C1 BB58-0106 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.24 O=C=NCC1=CC=CC(F)=C1 BB57-0297 [0,1,0,0,0,0|1,0,2]=4 76 B11R1.28 C=CCCNC1=CC=CC=C1 BB58-4953 [0,1,0,0,0,0|1,0,1]=3 77 B11R1.28 C=CCNCC1=CC=CC=C1 BB20-4594 [0,1,0,0,0,0|1,0,1]=3 78 B11R1.28 N#CCCCC1=NC=CC=C1 BB54-3757 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.28 NCCCCC1=NC=CC=C1 BB54-4080 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.28 NCCOCC1=CC=CC=C1 BB55-4803 [0,1,0,0,0,0|1,0,0]=2 81 B11R1.28 NCCSCC1=CC=CC=C1 BB53-1385 [0,1,0,0,0,0|1,0,0]=2 82 B11R1.28 OCCNCC1=CC=CC=C1 BB17-0809 [0,1,0,0,0,0|0,0,0]=1 83 B11R1.28 O\N=C\C=C\C1=CC=CC=C1 BB12-1495 [0,1,0,0,0,0|0,0,3]=4 84 B11R1.28 S=C=NCCC1=CC=CC=C1 BB54-2698 [0,1,0,0,0,0|0,1,1]=3 85 B11R1.40 CC(CN)OC1=CC=CN=C1 BB55-5172 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.40 CCC(N)CC1=CC=CC=C1 BB17-0798 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.40 NC(CO)CC1=CC=CC=C1 BB01-6619 [0,1,0,0,0,0|0,0,0]=1 88 B11R1.40 N\C(CC1=CC=CC=C1)=N/O BB53-1939 [0,1,0,0,0,0|1,0,1]=3 89 B11R1.40 O=C(CBr)NC1=CC=CC=C1 BB57-1136 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.40 O=C(CS)NC1=CC=CC=C1 BB12-3947 [0,1,0,0,0,0|1,1,1]=4 91 B11R1.91 CC(N)COC1=CC=CC=C1 BB58-0599 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.91 CC(N)\C=C\C1=CC=CC=C1 BB12-1707 [0,1,0,0,0,0|1,0,2]=4 93 B11R1.91 N=C(N)CCC1=CC=CC=C1 BB57-1742 [0,1,0,0,0,0|1,0,1]=3 94 B11R1.91 N=C(N)OCC1=CC=CC=C1 BB57-6018 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.91 N=C(N)SCC1=CC=CC=C1 BB57-2949 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.91 NC(=O)NCC1=CC=CC=C1 BB01-6935 [0,1,0,0,0,0|1,0,2]=4 97 B11R1.91 NC(=S)CCC1=NC=CC=C1 BB54-4361 [0,1,0,0,0,0|1,1,1]=4 98 B11R1.91 NC(=S)COC1=CC=CC=C1 BB20-4704 [0,1,0,0,0,0|1,1,1]=4 99 B11R1.91 O=C(O)C#CC1=CC=CC=C1 BB55-0680 [0,1,0,0,0,0|0,0,3]=4 100 B11R1.91 O=C(O)CCC1=NC=CN=C1 BB58-4745 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB12-2585 [0,1,0,0,0,0|1,0,1]=3 102 B11R1.91 O=C(O)CSC1=CC=CC=C1 BB54-0245 [0,1,0,0,0,0|1,0,1]=3 103 B11R1.91 O=C(O)CSC1=NC=CC=C1 BB05-0492 [0,1,0,0,0,0|2,0,1]=4 104 B11R2.1 O=C1NCC2=CC=CC=C12 BB57-1240 [0,0,0,1,0,0|1,0,2]=4 105 B11R2.1 ON1N=NC2=CC=CC=C21 BB12-2781 [0,0,0,1,0,0|3,0,0]=4 106 B11R2.20 C1=CC2=C(C=N1)CNCC2 BB32-2671 [0,0,0,1,0,0|3,0,0]=4 107 B11R2.238 C1=CC=C(NC2CC2)C=C1 BB32-1778 [0,0,0,1,0,0|2,0,0]=3 108 B9R1.12 BrCCCN1C=CC=N1 BB12-3122 [0,0,0,0,1,0|3,0,0]=4 109 B9R1.12 BrCCCN1C=CN=C1 BB57-3667 [0,0,0,0,1,0|3,0,0]=4 110 B9R1.12 CCCCN1C=CN=C1 BB12-1487 [0,0,0,0,1,0|3,0,0]=4 111 B9R1.12 CCNCC1=CC=CO1 BB01-4781 [0,0,0,0,1,0|3,0,0]=4 112 B9R1.12 CNCCC1=CC=CS1 BB55-8320 [0,0,0,0,1,0|3,0,0]=4 113 B9R1.12 ClCCCC1=CNN=C1 BB58-3085 [0,0,0,0,1,0|3,0,0]=4 114 B9R1.12 NCCCC1=CC=CO1 BB01-5828 [0,0,0,0,1,0|2,0,0]=3 115 B9R1.12 NCCCC1=CNN=C1 BB05-4888 [0,0,0,0,1,0|3,0,0]=4 116 B9R1.12 NCCCC1=CNN=C1 BB55-6199 [0,0,0,0,1,0|3,0,0]=4 117 B9R1.12 NCCCC1=NC=CN1 BB57-3660 [0,0,0,0,1,0|3,0,0]=4 118 B9R1.12 NCCCN1C=CC=N1 BB56-2920 [0,0,0,0,1,0|3,0,0]=4 119 B9R1.12 NCCCN1C=CN=C1 BB05-2317 [0,0,0,0,1,0|3,0,0]=4 120 B9R1.12 OCCCC1=CNN=C1 BB05-4880 [0,0,0,0,1,0|2,0,0]=3 121 B9R1.12 OCCCC1=CNN=C1 BB57-2164 [0,0,0,0,1,0|2,0,0]=3 122 B8R1.2 ClCC1=CC=CN=C1 BB60-7973 [2,0,0,0,0,0|2,0,0]=4 123 B8R1.2 OCC1=NC=CN=C1 BB58-0100 [2,0,0,0,0,0|2,0,0]=4 124 B10R1.1 CC1=CC=C(CON)C=C1 BB05-1789 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.1 CCCC1=CN=C(O)N=C1 BB58-1072 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.1 CCNC1=CC=C(Br)C=C1 BB31-7412 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.1 CCNC1=CC=C(F)C=C1 BB01-5251 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.1 CNCC1=CC=C(Br)C=C1 BB57-3005 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.1 CNCC1=CC=C(Cl)N=C1 BB53-1663 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.1 CNCC1=CC=C(O)C=C1 BB05-4614 [1,1,0,0,0,0|1,0,0]=3 131 B10R1.1 CNCC1=CC=C(O)C=C1 BB12-1375 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.1 CSCC1=CC=C(Cl)N=C1 BB53-1554 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.1 N#CCC1=CC=C(N)C=C1 BB12-4851 [1,1,0,0,0,0|1,0,1]=4 134 B10R1.1 NNCC1=CC=C(Cl)C=C1 BB57-4024 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.1 NNCC1=CC=C(F)C=C1 BB57-4012 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.1 O\N=C\C1=CC=C(F)C=C1 BB12-1509 [1,1,0,0,0,0|1,0,1]=4 137 B10R1.1 [C-]#[N+]CC1=CC=C(Cl)C=C1 BB56-1770 [1,1,0,0,0,0|1,0,1]=4 138 B10R1.4 CC1=CC=CC=C1CCN BB12-2271 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.4 CC1=CC=CC=C1CNN BB55-6543 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.4 CCNC1=CC=CC=C1N BB12-3022 [1,1,0,0,0,0|1,0,0]=3 141 B10R1.4 CCOC1=C(N)N=CC=C1 BB54-3639 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.4 CCOC1=NC=CC=C1N BB32-2785 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.4 NNCC1=C(F)C=CC=C1 BB57-4010 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.4 NNCC1=CC=CC=C1Cl BB57-1614 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.10 CC1=CC(\C=N\O)=CC=C1 BB20-3238 [1,1,0,0,0,0|1,0,1]=4 146 B10R1.10 CC1=CC=CC(CCN)=N1 BB55-7666 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.10 CCNC1=NC(C)=CC=C1 BB58-1376 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.10 CNCC1=CC(O)=CC=C1 BB12-1357 [1,1,0,0,0,0|1,0,0]=3 149 B10R1.10 COCC1=CC=CC(N)=C1 BB57-5775 [1,1,0,0,0,0|1,0,0]=3 150 B10R1.10 NNCC1=CC(Cl)=CC=C1 BB57-4023 [1,1,0,0,0,0|2,0,0]=4 151 B10R1.10 NNCC1=CC(F)=CC=C1 BB57-4011 [1,1,0,0,0,0|2,0,0]=4 152 B10R1.15 CC(C=O)C1=CC=CC=C1 BB17-2274 [1,1,0,0,0,0|0,0,2]=4 153 B10R1.15 CCC(=O)C1=NC=CC=C1 BB12-2185 [1,1,0,0,0,0|1,0,1]=4 154 B10R1.15 CCC(N)C1=CC=CC=C1 BB05-0915 [1,1,0,0,0,0|0,0,0]=2 155 B10R1.15 CCC(N)C1=CC=CC=C1 BB55-1056 [1,1,0,0,0,0|0,0,0]=2 156 B10R1.15 CNC(C)C1=CC=CC=C1 BB12-1671 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.15 N=C(NO)C1=CC=CC=C1 BB20-3129 [1,1,0,0,0,0|1,0,1]=4 158 B10R1.15 NC(CO)C1=CC=CC=C1 BB01-6618 [1,1,0,0,0,0|0,0,0]=2 159 B10R1.15 NCC(=O)C1=CC=CC=C1 BB26-0680 [1,1,0,0,0,0|1,0,1]=4 160 B10R1.15 N\C(=N/O)C1=CC=CC=C1 BB12-3472 [1,1,0,0,0,0|1,0,1]=4 161 B10R1.18 CC(=O)CC1=NC=CC=C1 BB55-8084 [1,1,0,0,0,0|1,0,1]=4 162 B10R1.18 CC(N)CC1=CC=CN=C1 BB57-1084 [1,1,0,0,0,0|1,0,0]=3 163 B10R1.18 CC(N)CC1=NC=CN=C1 BB55-7668 [1,1,0,0,0,0|2,0,0]=4 164 B10R1.18 CC(O)CC1=NC=CC=C1 BB55-7547 [1,1,0,0,0,0|1,0,0]=3 165 B10R1.18 CC(O)CC1=NC=CN=C1 BB55-6193 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.18 N=C(N)CC1=CC=CC=C1 BB31-4317 [1,1,0,0,0,0|1,0,1]=4 167 B10R1.16 CC1=CN(CCCO)N=C1 BB05-2439 [0,1,0,0,1,0|2,0,0]=4 168 B10R1.16 CC1=NN(CCCO)C=C1 BB05-2438 [0,1,0,0,1,0|2,0,0]=4 169 B10R1.16 CN1C=C(CCCO)C=N1 BB05-4958 [0,1,0,0,1,0|2,0,0]=4 170 B10R1.16 OCCCN1C=C(Br)C=N1 BB05-2444 [0,1,0,0,1,0|2,0,0]=4 171 B10R1.16 OCCCN1C=C(Br)C=N1 BB55-3001 [0,1,0,0,1,0|2,0,0]=4 172 B10R1.16 OCCCN1C=C(Cl)C=N1 BB05-2440 [0,1,0,0,1,0|2,0,0]=4 173 B10R1.21 NCCSCC1=CC=CO1 BB58-0598 [0,1,0,0,1,0|2,0,0]=4 174 B10R1.21 OCCNCC1=CC=CS1 BB55-8220 [0,1,0,0,1,0|1,0,0]=3 175 B10R1.29 CC1=CC=NN1CCCO BB05-2437 [0,1,0,0,1,0|2,0,0]=4 176 B10R1.66 CC(N)CCC1=CC=CO1 BB05-2102 [0,1,0,0,1,0|2,0,0]=4 177 B12R1.1 CC1=CC=C(CNCCN)C=C1 BB01-5338 [0,2,0,0,0,0|1,0,0]=3 178 B12R1.1 CC1=CC=C(CSCCN)C=C1 BB58-0586 [0,2,0,0,0,0|1,0,0]=3 179 B12R1.1 CC1=CC=C(OCCC#N)C=C1 BB57-5299 [0,2,0,0,0,0|1,0,1]=4 180 B12R1.1 CCCNCC1=CC=C(Cl)C=C1 BB32-2425 [0,2,0,0,0,0|1,0,0]=3 181 B12R1.1 COCCNC1=CC=C(N)C=C1 BB17-2677 [0,2,0,0,0,0|1,0,0]=3 182 B12R1.1 COCCOC1=CC=C(N)C=C1 BB55-3016 [0,2,0,0,0,0|1,0,0]=3 183 B12R1.1 ClC1=CC=C(OCCCBr)C=C1 BB17-1667 [0,2,0,0,0,0|1,0,0]=3 184 B12R1.1 NCCOCC1=CC=C(Cl)C=C1 BB57-4474 [0,2,0,0,0,0|1,0,0]=3 185 B12R1.1 OCCNCC1=CC=C(F)C=C1 BB32-0902 [0,2,0,0,0,0|0,0,0]=2 186 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 BB54-0091 [0,2,0,0,0,0|1,0,1]=4 187 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 BB57-6679 [0,2,0,0,0,0|2,0,0]=4 188 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 BB12-2588 [0,2,0,0,0,0|1,0,1]=4 189 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB05-4599 [0,2,0,0,0,0|0,0,1]=3 190 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BB12-1847 [0,2,0,0,0,0|1,0,1]=4 191 B12R1.21 NC1=CC=C(OCC(F)F)C=C1 BB05-3974 [0,2,0,0,0,0|2,0,0]=4 192 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 BB54-2898 [0,2,0,0,0,0|0,0,1]=3 193 B12R1.21 O=C(O)CNC1=CC=C(Br)C=C1 BB58-0806 [0,2,0,0,0,0|1,0,1]=4 194 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 BB58-0803 [0,2,0,0,0,0|1,0,1]=4 195 B12R1.49 N\C(CC1=CC=C(Cl)C=C1)=N/O BB54-5317 [0,2,0,0,0,0|1,0,1]=4 196 B12R1.69 CC1=C(NCCO)C=CC(Cl)=C1 BB17-0654 [0,2,0,0,0,0|1,0,0]=3 197 B12R1.69 CC1=CC(Br)=C(OCCN)C=C1 BB54-2454 [0,2,0,0,0,0|2,0,0]=4 198 B12R1.69 CC1=CC(C)=C(OCCN)C=C1 BB55-4856 [0,2,0,0,0,0|2,0,0]=4 199 B12R1.69 CCCNC1=CC=C(C)C=C1Cl BB01-7301 [0,2,0,0,0,0|2,0,0]=4 200 B12R1.71 CCCCC1=CC=C(NN)C=C1 BB56-0060 [0,2,0,0,0,0|1,0,0]=3 201 B12R1.71 COC1=CC=C(CCCN)C=C1 BB54-1986 [0,2,0,0,0,0|1,0,0]=3 202 B12R1.71 COC1=CC=C(NCCN)C=C1 BB55-6788 [0,2,0,0,0,0|2,0,0]=4 203 B12R1.71 COC1=CC=C(OCCN)C=C1 BB54-1233 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.71 CSC1=CC=C(OCCN)C=C1 BB57-6447 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.385 CC1=C(Cl)C=CC(OCCBr)=C1 BB17-1658 [0,2,0,0,0,0|2,0,0]=4 206 B12R1.385 CC1=C(Cl)C=CC(OCCN)=C1 BB54-2242 [0,2,0,0,0,0|2,0,0]=4 207 B12R1.385 CCCNC1=CC(Cl)=C(Cl)C=C1 BB01-8204 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.385 NCCOC1=CC(Cl)=C(Cl)C=C1 BB55-4930 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.17 CCCC(=O)C1=CC=CC(Cl)=C1 BB32-1724 [0,2,0,0,0,0|1,0,1]=4 210 B12R1.30 CN(CCCN)C1=CC=CC=C1 BB01-5316 [0,2,0,0,0,0|1,0,0]=3 211 B12R1.30 NCCNC(=O)C1=CC=CC=C1 BB32-0721 [0,2,0,0,0,0|1,0,1]=4 212 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 BB58-0616 [0,2,0,0,0,0|1,0,0]=3 213 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 BB12-1278 [0,2,0,0,0,0|1,0,1]=4 214 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BB54-0376 [0,2,0,0,0,0|0,0,1]=3 215 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 BB54-0417 [0,2,0,0,0,0|1,0,1]=4 216 B12R1.25 CC1=C(C)C(OCCN)=CC=C1 BB57-7060 [0,2,0,0,0,0|2,0,0]=4 217 B12R1.121 CCCOC1=CC=CC=C1C=O BB54-0099 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.121 COC1=CC=CC=C1OCCN BB05-3184 [0,2,0,0,0,0|2,0,0]=4 219 B12R1.125 CC1=CC=CC=C1NCC(=O)O BB12-2586 [0,2,0,0,0,0|1,0,1]=4 220 B12R1.125 CC1=CC=CC=C1OCC(=O)O BB01-6379 [0,2,0,0,0,0|1,0,1]=4 221 B12R1.125 NC1=C(OCC(F)F)C=CC=C1 BB05-3460 [0,2,0,0,0,0|2,0,0]=4 222 B12R1.125 O=C(O)CCN1C=CC=CC1=O BB57-2035 [0,2,0,0,0,0|1,0,1]=4 223 B12R1.125 O=C(O)CNC1=C(Cl)C=CC=C1 BB58-0801 [0,2,0,0,0,0|1,0,1]=4 224 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 BB12-2037 [0,2,0,0,0,0|1,0,1]=4 225 B12R1.267 CC1=CC=CC=C1CNCCN BB01-5347 [0,2,0,0,0,0|1,0,0]=3 226 B12R1.267 CCCCOC1=C(N)C=CC=C1 BB54-0086 [0,2,0,0,0,0|1,0,0]=3 227 B12R1.267 CNCCNC1=C(C)C=CC=C1 BB12-1636 [0,2,0,0,0,0|2,0,0]=4 228 B12R1.267 NCCNCC1=C(Cl)C=CC=C1 BB01-5345 [0,2,0,0,0,0|1,0,0]=3 229 B12R1.267 NCCNCC1=C(F)C=CC=C1 BB01-5328 [0,2,0,0,0,0|1,0,0]=3 230 B12R1.267 NCCOCC1=CC=CC=C1Cl BB55-4846 [0,2,0,0,0,0|1,0,0]=3 231 B12R1.267 NCCSCC1=CC=CC=C1F BB58-0587 [0,2,0,0,0,0|1,0,0]=3 232 B12R1.371 N\C(CC1=C(Cl)C=CC=C1)=N/O BB01-3932 [0,2,0,0,0,0|1,0,1]=4 233 B12R1.374 CC1=CC(OCCBr)=C(C)C=C1 BB17-1655 [0,2,0,0,0,0|2,0,0]=4 234 B12R1.374 CC1=CC(OCCN)=C(C)C=C1 BB54-2453 [0,2,0,0,0,0|2,0,0]=4 235 B12R1.374 CC1=CC(OCCN)=C(Cl)C=C1 BB55-4946 [0,2,0,0,0,0|2,0,0]=4 236 B12R1.374 CCCNC1=CC(F)=CC=C1F BB01-7300 [0,2,0,0,0,0|2,0,0]=4 237 B12R1.374 NCCOC1=C(Cl)C=CC(Cl)=C1 BB55-4931 [0,2,0,0,0,0|2,0,0]=4 238 B12R1.1631 CC1=C(OCCN)C(Cl)=CC=C1 BB57-5119 [0,2,0,0,0,0|2,0,0]=4 239 B12R1.1631 CC1=CC=CC(=O)N1CCCN BB57-7125 [0,2,0,0,0,0|2,0,0]=4 240 B12R1.1631 CC1=CC=CC(C)=C1OCCBr BB17-1656 [0,2,0,0,0,0|2,0,0]=4 241 B12R1.1631 CC1=CC=CC(C)=C1OCCN BB57-6890 [0,2,0,0,0,0|2,0,0]=4 242 B12R1.1631 CCCNC1=C(C)C=CC=C1C BB01-8205 [0,2,0,0,0,0|2,0,0]=4 243 B12R1.28 CC1=CC=CC(CNCCN)=C1 BB01-5346 [0,2,0,0,0,0|1,0,0]=3 244 B12R1.28 CCCCOC1=CC=CC(N)=C1 BB57-1182 [0,2,0,0,0,0|1,0,0]=3 245 B12R1.28 COCCOC1=CC=CC(N)=C1 BB55-3018 [0,2,0,0,0,0|1,0,0]=3 246 B12R1.28 NCCNCC1=CC(Cl)=CC=C1 BB01-5339 [0,2,0,0,0,0|1,0,0]=3 247 B12R1.50 N\C(CC1=CC(Cl)=CC=C1)=N/O BB05-3465 [0,2,0,0,0,0|1,0,1]=4 248 B12R1.226 CC(C)NCC1=CC(F)=CC=C1 BB55-8286 [0,2,0,0,0,0|2,0,0]=4 249 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 BB12-2587 [0,2,0,0,0,0|1,0,1]=4 250 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 BB12-2907 [0,2,0,0,0,0|0,0,1]=3 251 B12R1.226 NC1=CC=CC(OCC(F)F)=C1 BB05-3318 [0,2,0,0,0,0|2,0,0]=4 252 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 BB54-1054 [0,2,0,0,0,0|0,0,1]=3 253 B12R1.226 O=C(O)CNC1=CC(Cl)=CC=C1 BB58-0802 [0,2,0,0,0,0|1,0,1]=4 254 B12R1.382 CCCOC1=CC=CC(C=O)=C1 BB05-0093 [0,2,0,0,0,0|2,0,0]=4 255 B12R1.382 COC1=CC=CC(CCCN)=C1 BB58-0572 [0,2,0,0,0,0|1,0,0]=3 256 B12R1.382 COC1=CC=CC(OCCN)=C1 BB55-4885 [0,2,0,0,0,0|2,0,0]=4 257 B12R1.8 NCCCNCC1=CC=CC=C1 BB05-3473 [0,2,0,0,0,0|1,0,0]=3 258 B12R1.252 CC(=O)CCCC1=CC=CC=N1 BB54-3908 [0,2,0,0,0,0|1,0,1]=4 259 B12R1.252 CC(=O)NCCC1=CC=CC=C1 BB01-7779 [0,2,0,0,0,0|0,0,2]=4 260 B12R1.252 NC(=O)NCCC1=CC=CC=C1 BB01-7605 [0,2,0,0,0,0|0,0,2]=4 261 B12R1.252 O=C(O)CCCC1=CC=CC=N1 BB54-3321 [0,2,0,0,0,0|1,0,0]=3 262 B12R1.252 O=C(O)CCCC1=CC=NC=C1 BB54-3329 [0,2,0,0,0,0|1,0,0]=3 263 B12R1.252 O=C(O)COCC1=CC=CC=C1 BB01-5008 [0,2,0,0,0,0|0,0,1]=3 264 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 BB54-3217 [0,2,0,0,0,0|0,0,2]=4 265 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O BB01-8382 [0,2,0,0,0,0|1,0,1]=4 266 B12R1.194 C#CC(C)(O)CC1=CC=CC=C1 BB54-1621 [0,2,0,0,0,0|1,0,1]=4 267 B12R1.891 CC(C)(O)CNC1=CC=CC=C1 BB58-3437 [0,2,0,0,0,0|1,0,0]=3 268 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 BB54-4260 [0,2,0,0,0,0|1,0,1]=4 269 B12R1.891 O=S(=O)(O)CCC1=CC=NC=C1 BB57-6801 [0,2,0,0,0,0|2,0,0]=4 270 B10R2.32 OC1CCN2C=CN=C12 BB58-5098 [0,0,0,1,1,0|2,0,0]=4 271 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 BB54-4288 [0,1,0,1,0,0|1,0,0]=3 272 B12R2.24 BrC1=CC=C2NCCCC2=C1 BB54-2246 [0,1,0,1,0,0|1,0,0]=3 273 B12R2.24 CC1=CC2=C(C=C1)NCCC2 BB05-4541 [0,1,0,1,0,0|1,0,0]=3 274 B12R2.24 ClC1=NC2=C(C=C1)CCCN2 BB31-1636 [0,1,0,1,0,0|2,0,0]=4 275 B12R2.24 FC1=CC=C2NCCCC2=C1 BB57-6506 [0,1,0,1,0,0|1,0,0]=3 276 B12R2.24 NC1=CC2=C(C=C1)CCCC2 BB54-1595 [0,1,0,1,0,0|1,0,0]=3 277 B12R2.24 NC1=CC2=C(CCCC2)N=C1 BB58-5300 [0,1,0,1,0,0|2,0,0]=4 278 B12R2.24 NC1CCC2=C(C=CC=C2)C1 BB57-6610 [0,1,0,1,0,0|1,0,0]=3 279 B12R2.24 S=C1COC2=CC=CC=C2N1 BB10-0259 [0,1,0,1,0,0|1,0,1]=4 280 B12R2.132 NC1CCC2=C1C=C(F)C=C2 BB31-3383 [0,1,0,1,0,0|1,0,0]=3 281 B12R2.132 OC1CCC2=C1C=C(Cl)C=C2 BB32-2799 [0,1,0,1,0,0|0,0,0]=2 282 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 BB32-0160 [0,1,0,1,0,0|2,0,0]=4 283 B12R2.2302 FC1=CC=C(C2CCN2)C=C1 BB54-4743 [0,1,0,1,0,0|1,0,0]=3 284 B12R2.2 C1=CC(C2CCCN2)=CC=N1 BB56-0307 [0,1,0,1,0,0|2,0,0]=4 285 B12R2.2 C1=CC=C(C2CCCN2)C=C1 BB01-4666 [0,1,0,1,0,0|1,0,0]=3 286 B12R2.2 C1=CC=C(C2CCNC2)C=C1 BB54-4953 [0,1,0,1,0,0|1,0,0]=3 287 B12R2.2 C1=CN=C(C2CCCN2)C=C1 BB56-1572 [0,1,0,1,0,0|2,0,0]=4 288 B12R2.116 NC1(C2=CC=CC=C2)CCC1 BB31-3409 [0,1,0,1,0,0|1,0,0]=3 289 B12R2.1081 CC1=CC=CC2=C1NCCC2 BB05-1497 [0,1,0,1,0,0|1,0,0]=3 290 B12R2.1081 NC1=C2NCCCC2=CC=C1 BB32-2229 [0,1,0,1,0,0|1,0,0]=3 291 B12R2.1081 NC1=CC=CC2=C1CCCC2 BB54-1965 [0,1,0,1,0,0|1,0,0]=3 292 B12R2.1081 NC1=CC=CC2=C1CCNC2 BB31-0700 [0,1,0,1,0,0|2,0,0]=4 293 B12R2.1081 NN1CCCC2=CC=CC=C21 BB55-4758 [0,1,0,1,0,0|1,0,0]=3 294 B12R2.1081 O=C1CCOC2=CC=CC=C12 BB01-2459 [0,1,0,1,0,0|0,0,1]=3 295 B12R2.1081 OC1=C2CCNCC2=CC=C1 BB58-2121 [0,1,0,1,0,0|2,0,0]=4 296 B12R2.1081 OC1=CC=CC2=C1NCCC2 BB54-2937 [0,1,0,1,0,0|1,0,0]=3 297 B12R2.32 CNC1CC2=CC=CC=C2C1 BB53-1624 [0,1,0,1,0,0|2,0,0]=4 298 B12R2.32 NCC1CC2=CC=CC=C2O1 BB54-1902 [0,1,0,1,0,0|1,0,0]=3 299 B12R2.32 OCC1CC2=C(C=CC=C2)N1 BB31-2427 [0,1,0,1,0,0|0,0,0]=2 300 B12R2.225 NC1=C(NC2CC2)C=CC=C1 BB31-9144 [0,1,0,1,0,0|2,0,0]=4 301 B12R2.612 NC1CCC2=C1C=CC(Cl)=C2 BB31-1383 [0,1,0,1,0,0|1,0,0]=3 302 B12R2.612 OB1OCC2=C1C=CC(O)=C2 BB31-5281 [0,1,0,1,0,0|2,0,0]=4 303 B12R2.1 O=NN1CCC2=CC=CC=C21 BB01-7429 [0,1,0,1,0,0|1,0,1]=4 304 B12R2.1 OCC1=NNC2=C1C=CC=C2 BB57-5626 [0,1,0,1,0,0|1,0,1]=4 305 B12R2.1 O\N=C1/COC2=CC=CC=C21 BB12-2095 [0,1,0,1,0,0|1,0,1]=4 306 B12R2.18 CC1CC2=CC=CC=C2C1=O BB12-2283 [0,1,0,1,0,0|0,0,2]=4 307 B12R2.94 NC1(CC2=CC=CC=C2)CC1 BB55-6354 [0,1,0,1,0,0|1,0,0]=3 308 B8R1.8 CCCC1=CC=CS1 BB05-4767 [1,0,0,0,1,0|1,0,0]=3 309 B8R1.8 CCCC1=CNN=C1 BB12-3540 [1,0,0,0,1,0|2,0,0]=4 310 B8R1.8 CCCN1C=CN=C1 BB12-1504 [1,0,0,0,1,0|2,0,0]=4 311 B8R1.8 NCCC1=CC=CO1 BB01-5388 [1,0,0,0,1,0|2,0,0]=4 312 B8R1.8 NCCC1=CSC=C1 BB55-8410 [1,0,0,0,1,0|2,0,0]=4 313 B8R1.8 NCCN1C=CC=C1 BB57-3156 [1,0,0,0,1,0|2,0,0]=4 314 B8R1.8 OCCC1=CNN=C1 BB05-0885 [1,0,0,0,1,0|2,0,0]=4 315 B8R1.8 OCCC1=CNN=C1 BB55-3042 [1,0,0,0,1,0|2,0,0]=4