0 B11R1.16 CC(N=C=O)C1=CC=CC=C1 BB12-1551 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.16 CN(CCN)C1=CC=CC=C1 BB56-2834 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.16 CNCC(O)C1=CC=CC=C1 BB12-2195 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.16 OC(C#CBr)C1=CC=CC=C1 BB54-1497 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.16 OC(CCCl)C1=CC=CC=C1 BB12-1401 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.15 CC(C=O)C1=CC=CC=C1 BB17-2274 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.15 CC(NN)C1=CC=CN=C1 BB57-2140 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.15 CC(NN)C1=CC=NC=C1 BB57-2139 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.15 CCC(=O)C1=NC=CC=C1 BB12-2185 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.15 CCC(N)C1=CC=CC=C1 BB05-0915 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.15 CCC(N)C1=CC=CC=C1 BB55-1056 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.15 CNC(C)C1=CC=CC=C1 BB12-1671 [1,0,0,0,0,0|0,0,0]=1 12 B10R1.15 N=C(NO)C1=CC=CC=C1 BB20-3129 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.15 NC(CO)C1=CC=CC=C1 BB01-6618 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.15 NCC(=O)C1=CC=CC=C1 BB26-0680 [1,0,0,0,0,0|1,0,1]=3 15 B10R1.15 NNC(=O)C1=CC=CC=C1 BB20-4243 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.15 N\N=C(/N)C1=CC=CC=C1 BB10-1016 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.15 [C-]#[N+]C(C)C1=CC=NC=C1 BB56-1680 [1,0,0,0,0,0|1,0,2]=4 18 B10R1.17 BrCCCC1=CN=CC=C1 BB54-3595 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.17 BrCCOC1=CC=CC=C1 BB17-1654 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.17 ClCCCC1=CC=NC=C1 BB57-3431 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.17 N#CCCC1=NC=CC=C1 BB12-1756 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.17 NCCCC1=CC=CC=N1 BB54-0788 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.17 NCCCC1=CC=NC=C1 BB57-3430 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.17 OCCCC1=CC=NC=C1 BB57-6720 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.17 [C-]#[N+]CCC1=CC=NC=C1 BB56-1803 [1,0,0,0,0,0|1,0,2]=4 26 B12R1.16 CC(N=C=S)C1=CC=C(Cl)C=C1 BB57-6833 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 BB54-0091 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 BB54-2248 [0,1,0,0,0,0|1,0,1]=3 29 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 BB57-6679 [0,1,0,0,0,0|1,0,0]=2 30 B12R1.17 CCCC(=O)C1=CC=CC(Cl)=C1 BB32-1724 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.30 CN(CCCN)C1=CC=CC=C1 BB01-5316 [0,1,0,0,0,0|2,0,0]=3 32 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BB12-2875 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 BB58-0616 [0,1,0,0,0,0|2,0,0]=3 34 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 BB54-4969 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 BB12-1278 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BB54-0376 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 BB54-0417 [0,1,0,0,0,0|2,0,1]=4 38 B12R2.2 C1=CC(C2CCCN2)=CC=N1 BB56-0307 [0,0,0,1,0,0|3,0,0]=4 39 B12R2.2 C1=CC=C(C2CCCN2)C=C1 BB01-4666 [0,0,0,1,0,0|2,0,0]=3 40 B12R2.2 C1=CC=C(C2CCNC2)C=C1 BB54-4953 [0,0,0,1,0,0|0,0,0]=1 41 B12R2.2 C1=CN=C(C2CCCN2)C=C1 BB56-1572 [0,0,0,1,0,0|3,0,0]=4 42 B12R2.116 NC1(C2=CC=CC=C2)CCC1 BB31-3409 [0,0,0,1,0,0|2,0,0]=3 43 B12R2.1081 NN1CCCC2=CC=CC=C21 BB55-4758 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.6 CC(N)C1=CC=NC=C1 BB05-0766 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.8 BrCCC1=NC=CC=C1 BB54-3597 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.8 CCNC1=CC=CN=C1 BB58-1378 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.8 CNCC1=NC=CC=C1 BB55-7031 [2,0,0,0,0,0|1,0,0]=3 48 B9R1.8 CNCC1=NC=CN=C1 BB54-5692 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.8 CNCC1=NC=NC=C1 BB57-2309 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.8 ClCCC1=NC=CC=C1 BB54-3546 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.8 NCCC1=NC=CN=C1 BB55-7667 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.8 NOCC1=CC=CC=C1 BB05-2313 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.8 OCCC1=NC=CC=C1 BB01-4800 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 BB56-0588 [2,0,0,0,0,0|0,0,2]=4 55 B11R1.7 CC(C)(CN)C1=CC=CC=C1 BB32-0942 [1,1,0,0,0,0|0,0,0]=2 56 B11R1.22 CC1=CC=C(C(N)CO)C=C1 BB56-2094 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 BB32-1985 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 BB17-2353 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 BB55-1641 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.22 CCN(C)C1=CC=C(N)C=C1 BB32-1137 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 BB12-1843 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.22 CNC(C)C1=CC=C(F)C=C1 BB12-1331 [1,1,0,0,0,0|0,0,0]=2 63 B11R1.22 NC(CO)C1=CC=C(Br)C=C1 BB56-2167 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.22 NC(CO)C1=CC=C(Cl)C=C1 BB56-2226 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.22 NC(CO)C1=CC=C(F)C=C1 BB12-1444 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BB26-0169 [1,1,0,0,0,0|1,0,1]=4 67 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 BB01-7056 [1,1,0,0,0,0|1,0,1]=4 68 B11R1.22 NCC(O)C1=CC=C(O)C=C1 BB57-6723 [1,1,0,0,0,0|1,0,0]=3 69 B11R1.22 [C-]#[N+]C(C)C1=CC=C(Cl)C=C1 BB56-1668 [1,1,0,0,0,0|0,0,2]=4 70 B11R1.23 CCC(N)C1=CC(Cl)=CC=C1 BB55-1640 [1,1,0,0,0,0|1,0,0]=3 71 B11R1.23 NCC(=O)C1=CC(O)=CC=C1 BB32-0779 [1,1,0,0,0,0|1,0,1]=4 72 B11R1.23 NCC(O)C1=CC=CC(Br)=C1 BB32-1599 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.23 [C-]#[N+]C(C)C1=CC(Cl)=CC=C1 BB56-1669 [1,1,0,0,0,0|0,0,2]=4 74 B11R1.36 CC(C)C(N)C1=CC=CC=C1 BB58-0614 [1,1,0,0,0,0|1,0,0]=3 75 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 BB54-4112 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 BB01-2614 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 BB20-4534 [1,1,0,0,0,0|1,0,1]=4 78 B11R1.222 CCC(N)C1=CC=CC=C1C BB58-0612 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.222 NC(CO)C1=CC=CC=C1F BB56-2224 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.222 NCC(O)C1=C(F)C=CC=C1 BB31-5644 [1,1,0,0,0,0|1,0,0]=3 81 B11R1.1 CC1=CC=C(CCCN)C=C1 BB58-0569 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.1 CC1=CC=C(CCCO)C=C1 BB32-2521 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.1 NCCCC1=CC=C(Cl)C=C1 BB54-2040 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.1 NCCCC1=CC=C(F)C=C1 BB58-0570 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.17 NCCCC1=C(Cl)C=CC=C1 BB58-0571 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.24 CC1=CC=CC(CCCN)=C1 BB58-0568 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.24 CC1=CC=CC(CCCO)=C1 BB31-8239 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.24 ClC1=CC=CC(CCCBr)=C1 BB31-7544 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.24 N#CCCC1=CC=CC(Br)=C1 BB32-1657 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.28 C=CCCNC1=CC=CC=C1 BB58-4953 [1,1,0,0,0,0|1,0,1]=4 91 B11R1.28 C=CCNCC1=CC=CC=C1 BB20-4594 [1,1,0,0,0,0|1,0,1]=4 92 B11R1.28 NCCCCC1=NC=CC=C1 BB54-4080 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.28 NCCOCC1=CC=CC=C1 BB55-4803 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.28 NCCSCC1=CC=CC=C1 BB53-1385 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.28 OCCNCC1=CC=CC=C1 BB17-0809 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.28 S=C=NCCC1=CC=CC=C1 BB54-2698 [1,1,0,0,0,0|0,0,2]=4 97 B11R1.40 CCC(N)CC1=CC=CC=C1 BB17-0798 [1,1,0,0,0,0|1,0,0]=3 98 B11R1.40 CNC(C)CC1=NC=CN=C1 BB55-6192 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.40 NC(CO)CC1=CC=CC=C1 BB01-6619 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.91 CC(N)COC1=CC=CC=C1 BB58-0599 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.91 N=C(N)CCC1=CC=CC=C1 BB57-1742 [1,1,0,0,0,0|2,0,0]=4 102 B13R1.26 COC(CCC#N)C1=CC=CC=C1 BB12-1400 [0,2,0,0,0,0|1,0,1]=4 103 B13R1.532 COC(C(=O)NN)C1=CC=CC=C1 BB17-2223 [0,2,0,0,0,0|1,0,1]=4 104 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 BB54-0073 [0,2,0,0,0,0|2,0,0]=4 105 B13R1.452 CCCN(C)C1=CC=C(C=O)C=C1 BB01-3621 [0,2,0,0,0,0|2,0,0]=4 106 B13R1.466 CNCC(=O)C1=CC(O)=C(O)C=C1 BB57-6638 [0,2,0,0,0,0|1,0,1]=4 107 B13R1.147 CC(=O)NC(C)C1=CC=CC(N)=C1 BB55-4873 [0,2,0,0,0,0|2,0,0]=4 108 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 BB26-0866 [0,2,0,0,0,0|2,0,0]=4 109 B13R1.24 C=CCCN[C@H](C)C1=CC=CC=C1 BB58-4952 [0,2,0,0,0,0|1,0,1]=4 110 B13R1.45 CN(C)CCC(N)C1=CC=CC=C1 BB05-4727 [0,2,0,0,0,0|1,0,0]=3 111 B13R1.45 CN(C)CCC(N)C1=CC=CC=C1 BB57-4297 [0,2,0,0,0,0|1,0,0]=3 112 B13R1.152 CN(C)C(=O)C(N)C1=CC=CC=C1 BB58-4522 [0,2,0,0,0,0|1,0,1]=4 113 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 BB58-1450 [0,2,0,0,0,0|2,0,0]=4 114 B13R1.347 CC(N)CC(C)(C)C1=CC=CC=C1 BB58-0583 [0,2,0,0,0,0|1,0,0]=3 115 B11R2.1 O=C1NCC2=CC=CC=C12 BB57-1240 [1,0,0,1,0,0|1,0,1]=4 116 B11R2.20 C1=CC2=C(C=N1)CNCC2 BB32-2671 [1,0,0,1,0,0|1,0,0]=3 117 B11R2.238 C1=CC=C(NC2CC2)C=C1 BB32-1778 [1,0,0,1,0,0|2,0,0]=4 118 B11R2.2 C1=CN(C2CCNC2)N=C1 BB58-3632 [0,0,0,1,1,0|2,0,0]=4 119 B11R2.2 C1=NC(C2CCNC2)=CN1 BB58-0331 [0,0,0,1,1,0|2,0,0]=4 120 B13R2.15 CC1CNCC1C2=CC=CC=C2 BB58-3084 [0,0,0,1,0,1|0,0,0]=2 121 B13R2.26 CCNC1CC2=CC=CC=C2C1 BB53-1619 [0,0,0,1,0,1|2,0,0]=4 122 B13R2.26 CNCC1=CC2=CC=CC=C2S1 BB55-8324 [0,0,0,1,0,1|0,0,2]=4 123 B13R2.26 CNCC1=NC2=CC=CC=C2S1 BB55-8321 [0,0,0,1,0,1|1,0,1]=4 124 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 BB56-0022 [0,0,0,1,0,1|2,0,0]=4 125 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 BB57-1254 [0,0,0,1,0,1|0,0,0]=2 126 B13R2.64 C1=CC=C(OC2CCNC2)C=C1 BB12-1122 [0,0,0,1,0,1|0,0,0]=2 127 B13R2.64 C1=CC=C(OC2CCNC2)C=C1 BB31-5814 [0,0,0,1,0,1|0,0,0]=2 128 B13R2.64 C1=CC=C(O[C@@H]2CCNC2)C=C1 BB31-9526 [0,0,0,1,0,1|0,0,0]=2 129 B13R2.64 C1=CN=C(OC2CCNC2)C=C1 BB31-2313 [0,0,0,1,0,1|1,0,0]=3 130 B13R2.64 C1=CN=C(OC2CCNC2)C=C1 BB58-3117 [0,0,0,1,0,1|1,0,0]=3 131 B13R2.1 CNCC1=COC2=CC=CC=C12 BB58-3693 [0,1,0,1,0,0|0,0,2]=4 132 B13R2.3 C1=CC(C2CCCCN2)=CC=N1 BB56-0441 [0,1,0,1,0,0|2,0,0]=4 133 B13R2.3 C1=CC(C2CCNCC2)=CC=N1 BB12-1766 [0,1,0,1,0,0|1,0,0]=3 134 B13R2.3 C1=CC(C2CCNCC2)=NC=N1 BB58-4211 [0,1,0,1,0,0|2,0,0]=4 135 B13R2.3 C1=CC(N2CCNCC2)=CC=N1 BB56-1368 [0,1,0,1,0,0|2,0,0]=4 136 B13R2.3 C1=CC=C(C2CCCCN2)C=C1 BB56-0727 [0,1,0,1,0,0|1,0,0]=3 137 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 BB56-2420 [0,1,0,1,0,0|0,0,0]=2 138 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 BB54-3139 [0,1,0,1,0,0|0,0,0]=2 139 B13R2.3 C1=CC=C(N2CCOCC2)C=C1 BB17-2150 [0,1,0,1,0,0|2,0,0]=4 140 B13R2.3 C1=CC=C(N2CCSCC2)C=C1 BB17-2151 [0,1,0,1,0,0|2,0,0]=4 141 B13R2.3 C1=CN=C(C2CCCCN2)C=C1 BB56-0369 [0,1,0,1,0,0|2,0,0]=4 142 B13R2.3 C1=CN=CC(C2CCCCN2)=C1 BB56-0317 [0,1,0,1,0,0|2,0,0]=4 143 B13R2.3 C1=CN=CC(C2CNCCO2)=C1 BB58-4348 [0,1,0,1,0,0|1,0,0]=3 144 B13R2.3 [C@@H]1(C2=CN=CC=C2)CCCCN1 BB54-0371 [0,1,0,1,0,0|2,0,0]=4 145 B13R2.10 O=C1CCC(C2=CC=CC=C2)C1 BB31-5154 [0,1,0,1,0,0|1,0,0]=3 146 B13R2.1613 NCC1NCCC2=C1C=CC=C2 BB54-0011 [0,1,0,1,0,0|2,0,0]=4 147 B13R2.1613 NCC1OCCC2=CC=CC=C21 BB55-6201 [0,1,0,1,0,0|2,0,0]=4 148 B13R2.1613 OCC1OCCC2=CC=CC=C21 BB54-2916 [0,1,0,1,0,0|2,0,0]=4 149 B13R2.1613 [C-]#[N+]C1CCCC2=C1C=CC=C2 BB56-1664 [0,1,0,1,0,0|1,0,1]=4 150 B13R2.12 CC1=CC=C(C2CCCN2)C=C1 BB55-3979 [0,1,0,1,0,0|2,0,0]=4 151 B13R2.12 ClC1=CC=C(C2CCCN2)C=C1 BB56-0023 [0,1,0,1,0,0|2,0,0]=4 152 B13R2.12 FC1=CC=C(C2CCCN2)C=C1 BB05-3780 [0,1,0,1,0,0|2,0,0]=4 153 B13R2.12 FC1=CC=C(C2CCCN2)C=C1 BB56-0035 [0,1,0,1,0,0|2,0,0]=4 154 B13R2.12 FC1=CC=C(C2CCNC2)C=C1 BB58-3763 [0,1,0,1,0,0|0,0,0]=2 155 B13R2.13 BrC1=CC(C2CCCN2)=CC=C1 BB56-0757 [0,1,0,1,0,0|2,0,0]=4 156 B13R2.13 CC1=CC=CC(C2CCCN2)=C1 BB05-3777 [0,1,0,1,0,0|2,0,0]=4 157 B13R2.13 ClC1=CC(C2CCCN2)=CC=C1 BB56-0523 [0,1,0,1,0,0|2,0,0]=4 158 B13R2.13 FC1=CC(C2CCCN2)=CC=C1 BB05-3779 [0,1,0,1,0,0|2,0,0]=4 159 B13R2.13 FC1=CC(C2CCCN2)=CC=C1 BB54-1040 [0,1,0,1,0,0|2,0,0]=4 160 B13R2.13 IC1=CC=CC(C2CCCN2)=C1 BB56-1766 [0,1,0,1,0,0|2,0,0]=4 161 B13R2.3085 CN1C(=O)C(N)C2=CC=CC=C21 BB12-1567 [0,1,0,1,0,0|1,0,1]=4 162 B13R2.3085 CN1C(=O)N(C)C2=CC=CC=C21 BB12-2126 [0,1,0,1,0,0|1,0,1]=4 163 B13R2.3122 CC1(O)CCCC2=CC=CC=C21 BB57-5155 [0,1,0,1,0,0|1,0,0]=3 164 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 BB05-2321 [0,1,0,1,0,0|2,0,0]=4 165 B13R2.18 BrC1=CC=CC=C1C2CCCN2 BB56-2503 [0,1,0,1,0,0|2,0,0]=4 166 B13R2.18 CC1=C(C2CCCN2)C=CC=C1 BB05-3778 [0,1,0,1,0,0|2,0,0]=4 167 B13R2.18 ClC1=C(C2CCCN2)C=CC=C1 BB55-3982 [0,1,0,1,0,0|2,0,0]=4 168 B13R2.18 FC1=CC=CC=C1C2CCNC2 BB58-3626 [0,1,0,1,0,0|0,0,0]=2 169 B9R1.11 CC(CN)N1C=CC=N1 BB05-4111 [1,0,0,0,1,0|2,0,0]=4 170 B9R1.11 CC(CN)N1C=CC=N1 BB57-3091 [1,0,0,0,1,0|2,0,0]=4 171 B9R1.11 CC(CN)N1C=CN=C1 BB58-0780 [1,0,0,0,1,0|2,0,0]=4 172 B9R1.12 CNCCC1=CC=CS1 BB55-8320 [1,0,0,0,1,0|1,0,0]=3 173 B9R1.12 CNCCC1=CNN=C1 BB01-4435 [1,0,0,0,1,0|2,0,0]=4 174 B13R1.42 CNCC(O)COC1=CC=CC=C1 BB17-0643 [0,0,0,0,0,2|1,0,0]=3