0 B10R1.15 BrCC(Br)C1=CC=CC=C1 HL1223 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.15 C#CC(O)C1=CC=CC=C1 HL2705 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.15 C1=CC=C(C(=O)OC)C=C1 LQ3514 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 C1=CC=C(N([O-])N=O)C=C1 LT7153 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.15 CC(C=O)C1=CC=CC=C1 HL1224 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.15 CC(CBr)C1=CC=CC=C1 HL0832 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.15 CCC(=O)C1=CC=CN=C1 JZ4667 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 CCC(C)C1=CC=CC=C1 LL0562 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.15 CCC(C)C1=NC=CN=C1 JZ1742 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 HL2472 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.15 CN(C=O)C1=CC=CC=C1 JZ0143 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.15 CNC(=O)C1=CC=CC=C1 HL0175 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.15 N#CC(O)C1=CC=CC=C1 LL0935 [0,0,0,0,0,0|1,0,2]=3 13 B10R1.15 NCC(=O)C1=CC=CC=C1 LT5895 [0,0,0,0,0,0|1,0,1]=2 14 B10R1.15 NCC(=O)C1=CC=CN=C1 RT4369 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.15 NNC(=O)C1=CC=CC=C1 LT4155 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.15 N\C(=N/O)C1=CC=CC=C1 HL0174 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.15 O=C(CBr)C1=CC=CC=C1 RT11120 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.15 O=C(CBr)C1=CC=CC=C1 YH43692 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.15 O=C(CBr)C1=CC=NC=C1 XJ2872 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.15 O=C(CBr)C1=NC=CC=C1 LQ4012 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.15 O=C(CCl)C1=CC=CC=C1 LT3832 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.15 O=C(NO)C1=CC=CC=C1 LT6975 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.15 OC(CCl)C1=CC=CC=C1 LQ1871 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 LT6111 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.15 OC[C@H](O)C1=CC=CC=C1 LT6110 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 RT1705 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.6 C=C(C)C1=CC=CC=C1 XJ0257 [1,0,0,0,0,0|0,0,2]=3 28 B9R1.6 CC(=O)C1=CC=CC=C1 RT11112 [1,0,0,0,0,0|1,0,1]=3 29 B9R1.6 CC(=O)C1=CC=NC=C1 HL0648 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.6 CC(=O)C1=CN=CC=C1 LQ0733 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.6 CC(Br)C1=CC=CC=C1 XJ1034 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.6 CC(C)C1=NC=CN=C1 JZ1741 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.6 CC(N)C1=CC=CC=C1 JZ0721 [1,0,0,0,0,0|0,0,0]=1 34 B9R1.6 CC(O)C1=CN=CN=C1 RT9947 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.6 CN(C)C1=CC=NC=C1 LT3039 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.6 CN(C)C1=NC=CC=C1 XJ2942 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.6 CN(N)C1=CC=CC=C1 LQ1214 [1,0,0,0,0,0|1,0,0]=2 38 B9R1.6 CN(N)C1=CC=CC=C1 LX2044 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.6 C[C@@H](N)C1=CC=CC=C1 RT1721 [1,0,0,0,0,0|0,0,0]=1 40 B9R1.6 C[C@@H](N)C1=NC=CC=C1 YH51514 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.6 C[C@@H](O)C1=NC=CC=C1 YH51543 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.6 C[C@H](N)C1=CC=CC=C1 RT1720 [1,0,0,0,0,0|0,0,0]=1 43 B9R1.6 C[Si](=O)C1=CC=CC=C1 XJ3509 [1,0,0,0,0,0|1,1,0]=3 44 B9R1.6 ClC(Cl)C1=CC=CC=C1 LT3671 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.6 ClP(Cl)C1=CC=CC=C1 JZ4097 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.6 Cl[IH2](Cl)C1=CC=CC=C1 YH96399 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.6 N=C(N)C1=CC=CC=C1 LQ1861 [1,0,0,0,0,0|1,0,1]=3 48 B9R1.6 N=C(N)C1=CC=NC=C1 JZ2903 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.6 N=C(N)C1=CC=NC=C1 YH55019 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.6 NC(=O)C1=CC=CC=C1 CJ3392 [1,0,0,0,0,0|1,0,1]=3 51 B9R1.6 NC(=O)C1=CC=CC=C1 LT4036 [1,0,0,0,0,0|1,0,1]=3 52 B9R1.6 NC(=O)C1=CC=CN=C1 XJ0261 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.6 NC(=O)C1=CC=NC=C1 XJ1788 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.6 NC(=S)C1=CC=CC=C1 XJ2085 [1,0,0,0,0,0|1,0,1]=3 55 B9R1.6 O=C(F)C1=CC=CC=C1 HL1804 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.6 O=C([O-])C1=CC=CC=C1 HL0026 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.6 O=C([O-])C1=CC=CC=C1 HL0027 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.6 O=C([O-])C1=CC=CC=C1 JZ0044 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.6 O=C([O-])C1=CC=CC=C1 JZ4278 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.6 O=C([O-])C1=CC=CC=C1 LT4848 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.6 O=C([O-])C1=CC=CC=C1 XJ0991 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.6 O=S(O)C1=CC=CC=C1 LQ1215 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.6 O=S([O-])C1=CC=CC=C1 LL1085 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 XJ0263 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.6 O=[P+]([O-])C1=CC=CC=C1 LQ2659 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.6 OB(O)C1=CC=CC=C1 JZ0681 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.6 [18O]=C([18OH])C1=CC=CC=C1 RT11444 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.6 [SiH](Cl)(Cl)C1=CC=CC=C1 HL0912 [1,0,0,0,0,0|2,1,0]=4 69 B9R1.8 BrCCC1=CC=CC=C1 LL0334 [1,0,0,0,0,0|1,0,0]=2 70 B9R1.8 BrCCC1=CC=NC=C1 CJ2885 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.8 BrCCC1=NC=CC=C1 LX2681 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.8 BrCCC1=NC=CC=C1 YH16042 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.8 C=CSC1=CC=CC=C1 HL0999 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.8 CCCC1=CC=NC=C1 LT3807 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.8 CCOC1=NC=CC=C1 LT1993 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.8 CCSC1=CC=CC=C1 JZ4001 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.8 CNCC1=CC=CC=C1 RT3204 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.8 CNCC1=CC=CN=C1 LQ4200 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.8 COCC1=CC=CN=C1 LQ5401 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.8 CSSC1=CC=CC=C1 JZ4887 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.8 C\C=C\C1=CC=CC=C1 RT6350 [1,0,0,0,0,0|1,0,2]=4 82 B9R1.8 C\C=C\C1=CC=CC=C1 RT6415 [1,0,0,0,0,0|1,0,2]=4 83 B9R1.8 ClCCC1=CC=CC=C1 JZ3996 [1,0,0,0,0,0|1,0,0]=2 84 B9R1.8 ClCCC1=CC=CC=C1 JZ4528 [1,0,0,0,0,0|1,0,0]=2 85 B9R1.8 ClCCC1=CC=NC=C1 CJ2857 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.8 N#CCC1=CC=CN=C1 LT6846 [1,0,0,0,0,0|1,0,2]=4 87 B9R1.8 N#CCC1=NC=CC=C1 LT2169 [1,0,0,0,0,0|1,0,2]=4 88 B9R1.8 N#COC1=CC=CC=C1 RT6011 [1,0,0,0,0,0|1,0,2]=4 89 B9R1.8 NCCC1=CC=CN=C1 LQ4201 [1,0,0,0,0,0|1,0,0]=2 90 B9R1.8 NCCC1=CC=NC=C1 YH11719 [1,0,0,0,0,0|1,0,0]=2 91 B9R1.8 NNCC1=CC=CC=C1 LQ1000 [1,0,0,0,0,0|1,0,0]=2 92 B9R1.8 NNCC1=CC=CC=C1 LX3048 [1,0,0,0,0,0|1,0,0]=2 93 B9R1.8 NOCC1=CC=CC=C1 LT5864 [1,0,0,0,0,0|1,0,0]=2 94 B9R1.8 O=C=NC1=CC=CC=C1 LL0339 [1,0,0,0,0,0|2,0,1]=4 95 B9R1.8 O=CCC1=CC=CC=C1 XJ0479 [1,0,0,0,0,0|1,0,1]=3 96 B9R1.8 O=CCC1=CC=CN=C1 RT9275 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.8 O=COC1=CC=CC=C1 HL2038 [1,0,0,0,0,0|2,0,1]=4 98 B9R1.8 OCCC1=CC=CC=C1 YH43593 [1,0,0,0,0,0|1,0,0]=2 99 B9R1.8 OCCC1=CC=NC=C1 XJ2857 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.8 O\N=C\C1=CC=CC=C1 RT6343 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.8 SCCC1=CC=NC=C1 RT10479 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.8 SCCC1=NC=CC=C1 RT10478 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.8 [2H]\C=C\C1=CC=CC=C1 RT11345 [1,0,0,0,0,0|1,0,2]=4 104 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 SY0100 [0,1,0,0,0,0|0,0,2]=3 105 B11R1.7 CC(N)(CO)C1=CC=CC=C1 YH66378 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.7 CC(O)(CO)C1=CC=CC=C1 HL2733 [0,1,0,0,0,0|1,0,0]=2 107 B11R1.7 CCC(C)(O)C1=CC=CC=C1 JZ4655 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 LQ1163 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.7 COP(C)(=O)C1=CC=CC=C1 JZ2962 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.7 CO[Si](C)(C)C1=CC=CC=C1 JZ5229 [0,1,0,0,0,0|2,1,0]=4 111 B11R1.12 CCC(CC)C1=NC=CC=C1 LT3246 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.12 CCN(CC)C1=NC=CC=C1 LT3355 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.12 CC[C@@H](CCl)C1=CC=CC=C1 RT17488 [0,1,0,0,0,0|1,0,0]=2 114 B11R1.12 COC(OC)C1=CC=CC=C1 HL0685 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.12 COP(OC)C1=CC=CC=C1 JZ2190 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.12 N#CC(C#N)C1=CC=CC=C1 YH53125 [0,1,0,0,0,0|0,0,3]=4 117 B11R1.12 NCC(CO)C1=CC=CC=C1 RT3247 [0,1,0,0,0,0|0,0,0]=1 118 B11R1.12 OCP(CO)C1=CC=CC=C1 LQ2400 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.16 CCCC(C)C1=CC=CC=C1 XJ2276 [0,1,0,0,0,0|1,0,0]=2 120 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 HL2642 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.16 CCNC(C)C1=CC=CN=C1 RT2509 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.16 CCOC(=N)C1=CC=CC=C1 XJ2841 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.16 CCOC(=O)C1=CC=CC=C1 HL1235 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.16 CCOC(=O)C1=CC=CC=C1 XJ5129 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.16 CN(CCO)C1=NC=CC=C1 YH28946 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.16 CNCC(C)C1=CC=CC=C1 RT3521 [0,1,0,0,0,0|0,0,0]=1 127 B11R1.16 COCC(=O)C1=CC=CC=C1 XJ2596 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.16 N#CCC(=O)C1=CC=CC=C1 LT6989 [0,1,0,0,0,0|1,0,2]=4 129 B11R1.16 N#CCC(O)C1=CC=CC=C1 RT6095 [0,1,0,0,0,0|1,0,1]=3 130 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 LT6112 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.16 O=C(CCBr)C1=CC=CC=C1 YH65517 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.16 O=C(CCCl)C1=CC=CC=C1 YH58599 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 LL1784 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 RT6757 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 LX3302 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.22 C(=O)C(C)C1=CC=C(Cl)C=C1 YH58118 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 YH65417 [0,1,0,0,0,0|1,0,1]=3 138 B11R1.22 CC1=CC=C(C(C)C=O)C=C1 HL1295 [0,1,0,0,0,0|1,0,1]=3 139 B11R1.22 CC1=CC=C(C(O)CN)C=C1 RT1609 [0,1,0,0,0,0|1,0,0]=2 140 B11R1.22 CC1=CC=C(\C(C)=N\O)C=C1 HL2147 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 YH14959 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 RT11202 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 LT4307 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.22 C\C(=N/O)C1=CC=C(O)C=C1 RT10568 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.22 FC1=CC=C(C(Br)CBr)C=C1 YH56190 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 RT1562 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 LQ2917 [0,1,0,0,0,0|1,0,1]=3 148 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 RT2897 [0,1,0,0,0,0|1,0,1]=3 149 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 YH17779 [0,1,0,0,0,0|1,0,1]=3 150 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 YH17778 [0,1,0,0,0,0|1,0,1]=3 151 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 HL1815 [0,1,0,0,0,0|1,0,1]=3 152 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 LX2710 [0,1,0,0,0,0|1,0,1]=3 153 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 YH43755 [0,1,0,0,0,0|1,0,1]=3 154 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 LQ2961 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 LL0964 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 HL1818 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.22 NNC(=O)C1=CC=C(N)C=C1 XJ2875 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 HL1296 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 LT2785 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 RT10679 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 HL1817 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 YH11049 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 LQ3566 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 RT12028 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 YH65453 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.23 CCC(=O)C1=CC=CC(O)=C1 LQ3598 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.23 N#CC(O)C1=CC=CC(O)=C1 RT6293 [0,1,0,0,0,0|1,0,2]=4 168 B11R1.23 NCC(O)C1=CC(Cl)=CC=C1 YH05716 [0,1,0,0,0,0|1,0,0]=2 169 B11R1.23 NCC(O)C1=CC(O)=CC=C1 RT2781 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.23 NNC(=O)C1=CC=CC(F)=C1 XJ0840 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.23 O=C(CCl)C1=CC=CC(Cl)=C1 LQ4318 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 HL0407 [0,1,0,0,0,0|1,0,1]=3 173 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 YH58730 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 JZ3850 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 LQ2063 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 XJ1123 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.36 CC(C)C(O)C1=CC=CC=C1 XJ1122 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.36 CC(C1=CC=CC=C1)N(C)C XJ2195 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 RT10540 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.36 CN(C(=O)Cl)C1=CC=CC=C1 LQ2649 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.36 C[C@@H](N)[C@H](O)C1=CC=CC=C1 RT3084 [0,1,0,0,0,0|1,0,0]=2 182 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 JZ0182 [0,1,0,0,0,0|1,0,1]=3 183 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 JZ0158 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 LT4728 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 YH52440 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.36 O=C(C1=CC=CC=C1)C(Cl)Cl JZ2121 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.36 O=C(C1=CC=CC=C1)C(F)F HL1767 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.36 O=C(C1=CC=CC=C1)C(O)O JZ4378 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.36 O=C(Cl)C(Cl)C1=CC=CC=C1 LT6908 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 XJ2766 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 YH66089 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 JZ1417 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 LX2232 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 XJ0179 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 XJ4358 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 LT4732 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.36 O=[PH]([O-])C(O)C1=CC=CC=C1 RT12947 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.36 [C@H](C)(C(=O)O)C1=CC=CC=C1 JZ0854 [0,1,0,0,0,0|1,0,1]=3 199 B11R1.222 CCC(=O)C1=CC=CC=C1F XJ0760 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.222 CCC(C)C1=C(O)C=CC=C1 LL0208 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.222 C\C(NO)=C1\C=CC=CC1=O RT6027 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 YH08544 [0,1,0,0,0,0|1,0,1]=3 203 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 HL4533 [0,1,0,0,0,0|1,0,1]=3 204 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 YH16342 [0,1,0,0,0,0|1,0,1]=3 205 B11R1.222 NCC(O)C1=CC=CC=C1F JZ2275 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.222 NNC(=O)C1=C(Cl)C=CC=C1 HL3028 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 JZ0198 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.222 NNC(=O)C1=CC=CC=C1Cl YH66690 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl HL2832 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.222 O=C(CCl)C1=CC=CC=C1F RT11088 [0,1,0,0,0,0|2,0,1]=4 211 B11R2.1 BrC1=CNC2=C1C=CC=C2 HL0892 [0,0,0,1,0,0|1,0,2]=4 212 B11R2.1 BrC1=NNC2=CC=CC=C21 LX3057 [0,0,0,1,0,0|2,0,1]=4 213 B11R2.1 CC1=CCC2=C1C=CC=C2 YH66128 [0,0,0,1,0,0|1,0,2]=4 214 B11R2.1 CC1=COC2=CC=CC=C12 LQ4241 [0,0,0,1,0,0|1,0,2]=4 215 B11R2.1 CC1=CSC2=CC=CC=C12 HL0822 [0,0,0,1,0,0|1,0,2]=4 216 B11R2.1 CC1=NOC2=C1C=CC=C2 RT6278 [0,0,0,1,0,0|2,0,1]=4 217 B11R2.1 CC1C=CC2=CC=CC=C21 YH65581 [0,0,0,1,0,0|1,0,1]=3 218 B11R2.1 CC1CCC2=NC=CN=C21 LT3758 [0,0,0,1,0,0|3,0,0]=4 219 B11R2.1 CC1CNC2=CC=CC=C21 YH01636 [0,0,0,1,0,0|0,0,0]=1 220 B11R2.1 CN1C=CC2=CC=CC=C21 JZ0953 [0,0,0,1,0,0|2,0,1]=4 221 B11R2.1 CN1CCC2=C1C=CC=C2 LQ1487 [0,0,0,1,0,0|2,0,0]=3 222 B11R2.1 CN1N=CC2=C1C=CC=C2 XJ3909 [0,0,0,1,0,0|3,0,0]=4 223 B11R2.1 ClC1=CNC2=CC=CC=C12 JZ5124 [0,0,0,1,0,0|1,0,2]=4 224 B11R2.1 IC1=NNC2=CC=CC=C21 YH12813 [0,0,0,1,0,0|2,0,1]=4 225 B11R2.1 NC1CCC2=C1C=CC=C2 JZ0372 [0,0,0,1,0,0|2,0,0]=3 226 B11R2.1 NC1CCC2=C1C=CC=C2 LL1225 [0,0,0,1,0,0|2,0,0]=3 227 B11R2.1 N[C@H]1CCC2=CC=CC=C21 RT1824 [0,0,0,1,0,0|2,0,0]=3 228 B11R2.1 N[C@H]1CCC2=CC=CN=C21 YH03814 [0,0,0,1,0,0|3,0,0]=4 229 B11R2.1 O=C1CCC2=CC=CC=C12 RT11144 [0,0,0,1,0,0|2,0,1]=4 230 B11R2.1 O=C1COC2=CC=CC=C12 LT6773 [0,0,0,1,0,0|2,0,1]=4 231 B11R2.1 OC1=CNC2=C1C=CC=C2 RT14410 [0,0,0,1,0,0|1,0,2]=4 232 B11R2.1 SC1=CNC2=CC=CC=C12 RT16021 [0,0,0,1,0,0|1,0,2]=4 233 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 RT2823 [0,0,0,1,0,0|0,0,0]=1 234 B11R2.40 NC1(C2=CC=CC=C2)CC1 YH00383 [0,0,0,1,0,0|2,0,0]=3 235 B11R2.40 NC1(C2=CC=CC=C2)CC1 YH16483 [0,0,0,1,0,0|2,0,0]=3 236 B11R2.239 C1=CC=C(C2CNC2)C=C1 RT7923 [0,0,0,1,0,0|0,0,0]=1 237 B9R1.11 CCC(C)C1=NC=CS1 XJ4408 [0,0,0,0,1,0|3,0,0]=4 238 B9R1.11 CNC(C)C1=CC=CS1 HL3673 [0,0,0,0,1,0|3,0,0]=4 239 B11R1.40 CNC(C)CC1=CC=CN=C1 RT1972 [0,0,0,0,0,1|3,0,0]=4 240 B11R1.40 C\C(=C/C1=CC=CC=C1)CO YH66093 [0,0,0,0,0,1|1,0,1]=3 241 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 LQ0316 [0,0,0,0,0,1|1,0,2]=4 242 B11R1.40 N#CC(O)CC1=CC=CC=C1 CJ2908 [0,0,0,0,0,1|1,0,2]=4 243 B11R1.40 NCC(=O)CC1=CC=CC=C1 RT12543 [0,0,0,0,0,1|1,0,1]=3 244 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 RT1726 [0,0,0,0,0,1|1,0,0]=2 245 B11R1.40 NC[C@H](N)CC1=CC=CC=C1 RT1725 [0,0,0,0,0,1|1,0,0]=2 246 B11R1.40 NNC(=O)CC1=CC=CC=C1 JZ4307 [0,0,0,0,0,1|2,0,1]=4 247 B11R1.40 NNC(=O)OC1=CC=CC=C1 LT4161 [0,0,0,0,0,1|2,0,1]=4 248 B11R1.40 O=C(CBr)CC1=CC=CC=C1 RT10869 [0,0,0,0,0,1|2,0,1]=4 249 B11R1.40 O=C(CBr)OC1=CC=CC=C1 JZ3957 [0,0,0,0,0,1|2,0,1]=4 250 B11R1.40 O=C(CCl)NC1=CC=CC=C1 YH08620 [0,0,0,0,0,1|2,0,1]=4 251 B11R1.40 O=C(CO)CC1=CC=CC=C1 RT6783 [0,0,0,0,0,1|2,0,1]=4 252 B8R0.4 CCC\C=C\C=C\C=O LT5073 [1,0,1,0,0,0|2,0,0]=4 253 B8R1.2 BrCC1=CC=CC=C1 JZ1264 [2,0,0,0,0,0|1,0,0]=3 254 B8R1.2 BrCC1=CC=CN=C1 YH03265 [2,0,0,0,0,0|2,0,0]=4 255 B8R1.2 BrCC1=CC=CN=C1 YH65568 [2,0,0,0,0,0|2,0,0]=4 256 B8R1.2 BrCC1=NC=CC=C1 LQ4674 [2,0,0,0,0,0|2,0,0]=4 257 B8R1.2 Br[Mg]C1=CC=CC=C1 HL1276 [2,0,0,0,0,0|2,0,0]=4 258 B8R1.2 C=CC1=CC=CC=C1 XJ3473 [2,0,0,0,0,0|0,0,2]=4 259 B8R1.2 CCC1=CC=CN=C1 JZ1084 [2,0,0,0,0,0|1,0,0]=3 260 B8R1.2 CCC1=CC=NC=C1 LL0974 [2,0,0,0,0,0|1,0,0]=3 261 B8R1.2 CNC1=CC=CN=C1 LT2493 [2,0,0,0,0,0|2,0,0]=4 262 B8R1.2 CNC1=CC=NC=C1 LT6892 [2,0,0,0,0,0|2,0,0]=4 263 B8R1.2 COC1=CC=CN=C1 LT6817 [2,0,0,0,0,0|2,0,0]=4 264 B8R1.2 COC1=NC=CC=C1 LT2109 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.2 CSC1=NC=CC=C1 LT2167 [2,0,0,0,0,0|2,0,0]=4 266 B8R1.2 ClCC1=CC=CC=C1 HL1268 [2,0,0,0,0,0|1,0,0]=3 267 B8R1.2 ClCC1=CC=CC=N1 JZ2503 [2,0,0,0,0,0|2,0,0]=4 268 B8R1.2 ClCC1=CC=CN=C1 JZ0781 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.2 ClCC1=CC=CN=C1 YH53620 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.2 ClCC1=NC=CC=C1 JZ0742 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.2 ClCC1=NC=CC=C1 LT2316 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.2 N#CC1=CC=CC=C1 JZ4954 [2,0,0,0,0,0|0,0,2]=4 273 B8R1.2 N#CC1=CC=CC=C1 XJ4015 [2,0,0,0,0,0|0,0,2]=4 274 B8R1.2 NCC1=CC=CC=C1 LQ1371 [2,0,0,0,0,0|0,0,0]=2 275 B8R1.2 NCC1=CC=CN=C1 RT2311 [2,0,0,0,0,0|1,0,0]=3 276 B8R1.2 NCC1=CC=NC=C1 LL1070 [2,0,0,0,0,0|1,0,0]=3 277 B8R1.2 NCC1=CC=NC=C1 RT10176 [2,0,0,0,0,0|1,0,0]=3 278 B8R1.2 NCC1=NC=CC=C1 HL2591 [2,0,0,0,0,0|1,0,0]=3 279 B8R1.2 NCC1=NC=CC=N1 YH17523 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.2 NCC1=NC=CN=C1 YH58835 [2,0,0,0,0,0|2,0,0]=4 281 B8R1.2 NNC1=CC=CC=C1 HL1279 [2,0,0,0,0,0|1,0,0]=3 282 B8R1.2 NNC1=CC=CC=C1 JZ5772 [2,0,0,0,0,0|1,0,0]=3 283 B8R1.2 NNC1=CC=CN=C1 YH00904 [2,0,0,0,0,0|2,0,0]=4 284 B8R1.2 NNC1=CC=CN=C1 YH12082 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.2 NNC1=CC=CN=C1 YH57193 [2,0,0,0,0,0|2,0,0]=4 286 B8R1.2 O=NC1=CC=CC=C1 YH08587 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.2 O=[As]C1=CC=CC=C1 JZ4036 [2,0,0,0,0,0|2,0,0]=4 288 B8R1.2 OCC1=CC=CC=C1 HL1271 [2,0,0,0,0,0|1,0,0]=3 289 B8R1.2 OCC1=CC=CC=N1 LT2170 [2,0,0,0,0,0|2,0,0]=4 290 B8R1.2 OCC1=CN=CC=C1 HL1274 [2,0,0,0,0,0|2,0,0]=4 291 B8R1.2 O[Hg]C1=CC=CC=C1 LQ3360 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.2 SCC1=CC=CC=C1 HL1273 [2,0,0,0,0,0|1,0,0]=3 293 B8R1.2 [C-]#CC1=CC=CC=C1 JZ3648 [2,0,0,0,0,0|0,0,2]=4 294 B8R1.2 [C-]#[N+]C1=CC=CC=C1 YH65599 [2,0,0,0,0,0|1,0,1]=4 295 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 HL1303 [1,1,0,0,0,0|1,0,1]=4 296 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 JZ1119 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.13 CC(=O)C1=CC=C(F)C=C1 JZ1124 [1,1,0,0,0,0|1,0,1]=4 298 B10R1.13 CC(=O)C1=CC=C(N)C=C1 LT6854 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.13 CC(=O)C1=CC=C(O)C=C1 RT11987 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.13 CC(C)C1=CC=C(Br)C=C1 XJ1042 [1,1,0,0,0,0|0,0,0]=2 301 B10R1.13 CC(C)C1=CC=C(N)C=N1 YH00023 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.13 CC(C)C1=NN=C(Cl)C=C1 YH07736 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.13 CC(C)C1=NNC(=O)C=C1 YH66263 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.13 CC(N)C1=CC=C(Br)C=C1 YH48936 [1,1,0,0,0,0|0,0,0]=2 305 B10R1.13 CC(N)C1=NC=C(F)C=C1 SY0015 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.13 CC(O)C1=CC=C(F)C=C1 LQ0797 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.13 CC1=CC=C(C(C)C)C=C1 XJ5623 [1,1,0,0,0,0|0,0,0]=2 308 B10R1.13 CC1=CC=C(C(C)N)C=C1 JZ0723 [1,1,0,0,0,0|0,0,0]=2 309 B10R1.13 CC1=CC=C(C(C)O)C=C1 LL0968 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.13 CC1=CC=C(C(C)O)C=N1 RT2394 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.13 CC1=CC=C(C(N)=O)C=C1 JZ3937 [1,1,0,0,0,0|1,0,1]=4 312 B10R1.13 CC1=CC=C(N(C)C)C=C1 YH99046 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.13 CC1=CC=C(S(N)=O)C=C1 YH66632 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.13 CC1=NC=C(C(C)N)C=N1 RT2400 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.13 CN(C)C1=CC=C(Br)C=C1 LT2750 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.13 CN(C)C1=CC=C(N)C=C1 HL1305 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.13 CN(C)C1=CC=C(N)C=C1 LL0967 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.13 CN(C)C1=CC=C(N)C=C1 LQ4413 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.13 CN(C)C1=CC=C(N)C=C1 XJ3077 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 LQ5152 [1,1,0,0,0,0|0,0,0]=2 321 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 YH17516 [1,1,0,0,0,0|0,0,0]=2 322 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 XJ4897 [1,1,0,0,0,0|0,0,0]=2 323 B10R1.13 ClC1=CC=C(C(Cl)Cl)C=C1 LT3445 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 HL3245 [1,1,0,0,0,0|1,0,1]=4 325 B10R1.13 N=C(N)C1=CC=C(N)C=C1 HL2287 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.13 N=C(N)C1=CC=C(N)C=C1 JZ3229 [1,1,0,0,0,0|1,0,1]=4 327 B10R1.13 N=C(N)C1=CC=C(O)C=C1 LT2008 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.13 N=C(N)C1=CC=C(O)C=C1 YH36971 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 LQ1385 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 JZ3938 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.13 NC(=O)C1=CC=C(F)C=C1 JZ4190 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.13 NC(=O)C1=CC=C(I)C=C1 YH59026 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.13 NC(=O)C1=CC=C(O)C=C1 JZ3939 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 YH49579 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.28 CC(C)(C)C1=CC=CC=C1 XJ0222 [1,1,0,0,0,0|0,0,0]=2 336 B10R1.28 CC(C)(C)C1=NC=CN=C1 XJ5105 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.28 CC(C)(N)C1=CC=CC=C1 XJ1030 [1,1,0,0,0,0|0,0,0]=2 338 B10R1.28 CC(C)(N)C1=CN=CC=C1 YH99047 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.28 CC(C)(O)C1=CC=CC=C1 LQ1212 [1,1,0,0,0,0|0,0,0]=2 340 B10R1.28 CC(C)(S)C1=CC=CC=C1 YH38274 [1,1,0,0,0,0|0,0,0]=2 341 B10R1.28 CP(=O)(Cl)C1=CC=CC=C1 XJ2994 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 LQ2383 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 HL2720 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 HL0392 [1,1,0,0,0,0|0,1,0]=3 345 B10R1.28 C[Si](C)(O)C1=CC=CC=C1 JZ2662 [1,1,0,0,0,0|0,1,0]=3 346 B10R1.28 C[Si](C)([O-])C1=CC=CC=C1 LQ3287 [1,1,0,0,0,0|0,1,0]=3 347 B10R1.28 FC(F)(F)C1=CC=CC=C1 YH98647 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.61 C=C(C)C1=CC=CC=C1C LQ4513 [1,1,0,0,0,0|0,0,2]=4 349 B10R1.61 CC(=O)C1=C(C)C=CC=C1 JZ3832 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.61 CC(=O)C1=C(F)C=CC=C1 LT6542 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.61 CC(=O)C1=CC=CC=C1Br LQ2085 [1,1,0,0,0,0|1,0,1]=4 352 B10R1.61 CC(=O)C1=CC=CC=C1Cl RT11894 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.61 CC(C)C1=C(Br)C=CC=C1 XJ3244 [1,1,0,0,0,0|0,0,0]=2 354 B10R1.61 CC(C)C1=C(N)C=CC=C1 JZ4085 [1,1,0,0,0,0|0,0,0]=2 355 B10R1.61 CC(C)C1=C(O)C=CC=C1 LL0172 [1,1,0,0,0,0|0,0,0]=2 356 B10R1.61 CC(N)C1=CC=CC=C1O YH66634 [1,1,0,0,0,0|0,0,0]=2 357 B10R1.61 CC(N)C1=NC=CC=C1N RT2322 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.61 CC(O)C1=CC=CC=C1Cl LQ3656 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.61 CC1=C(C(Cl)Cl)C=CC=C1 LT3220 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.61 CC1=CC=CC=C1N(C)C XJ1085 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.61 CN(C)C1=CC=CC=C1Cl LQ1380 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.61 C[C@@H](N)C1=CC=CC=C1O YH29387 [1,1,0,0,0,0|0,0,0]=2 363 B10R1.61 C[C@@H](N)C1=NC=CC=C1F RT1757 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.61 C[C@H](N)C1=NC=CC=C1F RT1756 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.61 N=C(N)C1=C(O)C=CC=C1 YH65820 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.61 NC(=O)C1=CC=CC=C1N LL0171 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.113 C=C(C)C1=CC(C)=CC=C1 HL0676 [1,1,0,0,0,0|0,0,2]=4 368 B10R1.113 CC(=O)C1=CC(F)=CC=C1 LT6788 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.113 CC(=O)C1=CC(N)=CC=C1 LT6621 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 LQ2084 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.113 CC(=O)C1=CC=CC(O)=C1 LT6622 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.113 CC(C)C1=CC(Br)=CC=C1 HL2984 [1,1,0,0,0,0|0,0,0]=2 373 B10R1.113 CC(C)C1=CC(O)=CC=C1 RT10578 [1,1,0,0,0,0|0,0,0]=2 374 B10R1.113 CC(C)C1=CC=CC(N)=C1 XJ2891 [1,1,0,0,0,0|0,0,0]=2 375 B10R1.113 CC(C)C1=CC=CC(N)=N1 YH18705 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.113 CC(C)C1=NC(Cl)=CC=C1 YH27840 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 RT2925 [1,1,0,0,0,0|0,0,0]=2 378 B10R1.113 CC(O)C1=CC=CC(Cl)=C1 JZ3057 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.113 CC(O)C1=CC=CC(N)=C1 XJ2202 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.113 CC1=CC(C(N)=O)=CC=C1 LQ1217 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.113 CC1=CC(N(C)C)=CC=C1 LL0511 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.113 CC1=CC=CC(C(Cl)Cl)=C1 LT3221 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.113 N=C(N)C1=CC=CC(F)=C1 XJ6333 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.113 N=C(N)C1=CC=CC(N)=C1 LT2228 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.113 NC(=O)C1=CC(F)=CC=C1 HL1806 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 LQ1218 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.1 CC1=CC=C(CC#N)C=C1 JZ2192 [1,1,0,0,0,0|0,0,2]=4 388 B10R1.1 CC1=CC=C(CCN)C=C1 XJ2410 [1,1,0,0,0,0|0,0,0]=2 389 B10R1.1 CC1=CN=C(CCN)C=C1 YH88428 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.1 CCCC1=CC=C(N)C=C1 XJ2253 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.1 CCNC1=CC=C(C)C=C1 JZ4006 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.1 CCNC1=CC=C(Cl)C=C1 YH66088 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.1 CCOC1=CC=C(I)C=C1 LQ1391 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.1 CCOC1=CC=C(N)C=C1 RT3081 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.1 CCOC1=CC=C(O)C=C1 JZ4008 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.1 COCC1=CC=C(O)C=C1 YH05854 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.1 ClC1=CC=C(CCBr)C=C1 XJ3158 [1,1,0,0,0,0|1,0,0]=3 398 B10R1.1 FC1=CC=C(CCBr)C=C1 RT12501 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.1 N#CCC1=CC=C(Br)C=C1 LT6208 [1,1,0,0,0,0|0,0,2]=4 400 B10R1.1 N#CCC1=CC=C(Cl)C=C1 JZ0810 [1,1,0,0,0,0|0,0,2]=4 401 B10R1.1 N#CCC1=CC=C(F)C=C1 HL1841 [1,1,0,0,0,0|0,0,2]=4 402 B10R1.1 N#CCC1=CC=C(I)C=C1 LQ5219 [1,1,0,0,0,0|0,0,2]=4 403 B10R1.1 N#CCC1=CC=C(N)C=C1 LT1657 [1,1,0,0,0,0|0,0,2]=4 404 B10R1.1 NCCC1=CC=C(Br)C=C1 LL1320 [1,1,0,0,0,0|0,0,0]=2 405 B10R1.1 NCCC1=CC=C(Cl)C=C1 LQ0644 [1,1,0,0,0,0|0,0,0]=2 406 B10R1.1 NCCC1=CC=C(F)C=C1 LT3075 [1,1,0,0,0,0|0,0,0]=2 407 B10R1.1 NCCC1=CC=C(N)C=C1 LT0213 [1,1,0,0,0,0|0,0,0]=2 408 B10R1.1 NCCC1=CC=C(O)C=C1 RT6525 [1,1,0,0,0,0|0,0,0]=2 409 B10R1.1 NCCC1=CC=C(O)C=C1 YH09355 [1,1,0,0,0,0|0,0,0]=2 410 B10R1.1 O=CCC1=CC=C(F)C=C1 YH40007 [1,1,0,0,0,0|1,0,1]=4 411 B10R1.1 O=CCC1=CC=C(O)C=C1 RT6375 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.1 OCCC1=CC=C(Br)C=C1 LQ2719 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.1 OCCC1=CC=C(F)C=C1 LT2419 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.1 OCCC1=CC=C(O)C=C1 RT12563 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.4 CC1=CC=CC=C1CC#N LT5660 [1,1,0,0,0,0|0,0,2]=4 416 B10R1.4 CC1=NC=CC=C1CCO RT8739 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.4 CCCC1=CC=CC=C1O JZ4091 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.4 CCOC1=C(Br)C=CC=C1 XJ1001 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.4 CCOC1=C(Cl)C=CC=C1 HL0191 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.4 CCOC1=C(F)C=CC=C1 LT6548 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.4 CCOC1=C(O)C=CC=C1 LQ0245 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.4 N#CCC1=C(Br)C=CC=C1 XJ4518 [1,1,0,0,0,0|0,0,2]=4 423 B10R1.4 N#CCC1=C(F)C=CC=C1 HL1631 [1,1,0,0,0,0|0,0,2]=4 424 B10R1.4 N#CCC1=C(I)C=CC=C1 LQ5028 [1,1,0,0,0,0|0,0,2]=4 425 B10R1.4 N#CCC1=CC=CC=C1Br LT2296 [1,1,0,0,0,0|0,0,2]=4 426 B10R1.4 N#CCC1=CC=CC=C1N RT1593 [1,1,0,0,0,0|0,0,2]=4 427 B10R1.4 NC1=CC=CC=C1CCO YH05747 [1,1,0,0,0,0|1,0,0]=3 428 B10R1.4 NCCC1=CC=CC=C1Br XJ6027 [1,1,0,0,0,0|0,0,0]=2 429 B10R1.4 NCCC1=CC=CC=C1O RT6527 [1,1,0,0,0,0|0,0,0]=2 430 B10R1.4 NCCN1C=CC=CC1=O YH56675 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.4 N\N=C\C1=CC=CC=C1O XJ2447 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.4 O=CCC1=C(Cl)C=CC=C1 LQ2618 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.4 O=CCC1=CC=CC=C1F XJ6347 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.4 OCCC1=CC=CC=C1Br JZ4362 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.4 ONCC1=CC=CC=C1Cl JZ2761 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.10 CC1=CC=CC(CC#N)=C1 LT2624 [1,1,0,0,0,0|0,0,2]=4 437 B10R1.10 CC1=CC=CC(CCO)=N1 CJ3011 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.10 CCCC1=CC(N)=CC=C1 YH65505 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.10 CCCC1=CC(N)=NC=C1 HL4171 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.10 CCOC1=CC(Br)=CC=C1 XJ2220 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.10 CCOC1=CC(F)=CC=C1 HL1827 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.10 CCOC1=CC=CC(O)=C1 JZ3968 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.10 CNCC1=CC(Br)=CC=C1 HL4336 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.10 N#CCC1=CC(I)=CC=C1 HL3403 [1,1,0,0,0,0|0,0,2]=4 445 B10R1.10 N#CCC1=CC=CC(Br)=C1 LT6740 [1,1,0,0,0,0|0,0,2]=4 446 B10R1.10 N#CCC1=CC=CC(Cl)=C1 LT2337 [1,1,0,0,0,0|0,0,2]=4 447 B10R1.10 N#CCC1=CC=CC(F)=C1 LQ3386 [1,1,0,0,0,0|0,0,2]=4 448 B10R1.10 NC1=CC(CCO)=CC=C1 XJ5592 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.10 NCCC1=CC(F)=CC=C1 YH59765 [1,1,0,0,0,0|0,0,0]=2 450 B10R1.10 NCCC1=CC=CC(Br)=C1 YH08740 [1,1,0,0,0,0|0,0,0]=2 451 B10R1.10 NCCC1=CC=CC(O)=C1 YH55865 [1,1,0,0,0,0|0,0,0]=2 452 B10R1.10 O=CCC1=CC(F)=CC=C1 YH17193 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.10 OCCC1=CC(Br)=CC=C1 YH51734 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.10 OCCC1=CC=CC(O)=C1 YH66577 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.10 OCCC1=NC=CC(Cl)=C1 RT9226 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.17 BrCCCC1=CC=CN=C1 RT14570 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.17 BrCCOC1=CC=CC=C1 HL0054 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.17 BrC\C=C\C1=CC=CC=C1 LT4566 [1,1,0,0,0,0|1,0,1]=4 459 B10R1.17 C(=O)CCC1=CC=CC=C1 LL0373 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.17 C(=O)OCC1=CC=CC=C1 LL0376 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.17 C=CCCC1=CC=CC=C1 YH17996 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.17 CCC#CC1=CC=CC=C1 JZ4010 [1,1,0,0,0,0|1,0,1]=4 463 B10R1.17 CCCCC1=CC=CN=C1 XJ0908 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.17 CCCCC1=NC=CC=C1 HL2877 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.17 CCCC[N+]1=CC=CC=C1 HL0679 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.17 CCCNC1=CC=CC=C1 XJ1126 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.17 CCCOC1=CC=CC=C1 XJ1127 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.17 CCNCC1=CC=CN=C1 XJ2344 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.17 CCNCC1=CC=NC=C1 YH55114 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.17 CNCCC1=CC=NC=C1 YH66483 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.17 CNCCC1=NC=CC=C1 RT4594 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.17 CNCCC1=NC=CC=C1 RT4605 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.17 COCCC1=NC=CC=C1 LT3761 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.17 ClCCCC1=CC=CC=C1 LL0372 [1,1,0,0,0,0|1,0,0]=3 475 B10R1.17 ClCOCC1=CC=CC=C1 JZ2365 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.17 ClCSCC1=CC=CC=C1 JZ2415 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.17 N#CCNC1=CC=CC=C1 XJ2362 [1,1,0,0,0,0|0,0,2]=4 478 B10R1.17 N#CCOC1=CC=CC=C1 JZ2377 [1,1,0,0,0,0|0,0,2]=4 479 B10R1.17 NCC#CC1=CC=CC=C1 YH18704 [1,1,0,0,0,0|0,0,1]=3 480 B10R1.17 NCCNC1=NC=CC=C1 RT11017 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.17 O=C=NCC1=CC=CC=C1 LT4166 [1,1,0,0,0,0|1,0,1]=4 482 B10R1.17 O=CNCC1=CC=CC=C1 JZ2897 [1,1,0,0,0,0|1,0,1]=4 483 B10R1.17 OCC#CC1=CC=CC=C1 LQ1789 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.17 OCCCC1=CC=NC=C1 LT3397 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.17 OCCCC1=CN=CC=C1 LQ2303 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.17 OCCCC1=NC=CC=C1 LT1600 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.17 OCCNC1=CC=CC=C1 XJ0488 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.17 OCCOC1=CC=CC=C1 XJ0489 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 JZ4012 [1,1,0,0,0,0|1,0,1]=4 490 B10R1.18 CC(=O)CC1=CC=CC=C1 YH22297 [1,1,0,0,0,0|1,0,1]=4 491 B10R1.18 CC(C)CC1=CC=CN=C1 LT3805 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.18 CC(C)NC1=CC=CC=C1 HL0393 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.18 CN(C)CC1=CC=CC=C1 YH22302 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.18 CS(=O)CC1=CC=CC=C1 RT13178 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 YH66589 [1,1,0,0,0,0|0,0,0]=2 496 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 RT11145 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.18 FC(F)OC1=CC=CC=C1 HL1835 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.18 N=C(N)NC1=CC=CC=C1 LQ3733 [1,1,0,0,0,0|1,0,1]=4 499 B10R1.18 N=C(N)NC1=CC=CC=C1 YH65018 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.18 NC(=O)CC1=CC=CC=C1 LL0344 [1,1,0,0,0,0|0,0,1]=3 501 B10R1.18 NC(=O)CC1=CC=CN=C1 HL2586 [1,1,0,0,0,0|1,0,1]=4 502 B10R1.18 NC(=O)NC1=CC=CC=C1 XJ0031 [1,1,0,0,0,0|1,0,1]=4 503 B10R1.18 NC(=O)OC1=CC=CC=C1 JZ4003 [1,1,0,0,0,0|1,0,1]=4 504 B10R1.18 NC(=S)CC1=CC=CC=C1 XJ1206 [1,1,0,0,0,0|0,0,1]=3 505 B10R1.18 O=C(Cl)CC1=CC=CC=C1 LL0343 [1,1,0,0,0,0|1,0,1]=4 506 B10R1.18 O=C(O)CC1=CC=CC=C1 LL0345 [1,1,0,0,0,0|1,0,1]=4 507 B12R1.32 C#CCN(C)CC1=CC=CC=C1 JZ0623 [0,1,0,0,0,1|2,0,0]=4 508 B12R1.32 CN(CCO)CC1=CC=CC=C1 RT11841 [0,1,0,0,0,1|2,0,0]=4 509 B12R1.34 C(C)(NC)[C@H](O)C1=CC=CC=C1 LT5056 [0,1,0,0,0,1|2,0,0]=4 510 B12R1.34 CCC(Br)C(=O)C1=CC=CC=C1 RT12924 [0,1,0,0,0,1|2,0,0]=4 511 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 LT4944 [0,1,0,0,0,1|2,0,0]=4 512 B12R1.34 N[C@@H](CO)[C@@H](O)C1=CC=CC=C1 RT1894 [0,1,0,0,0,1|2,0,0]=4 513 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 YH02322 [0,1,0,0,0,1|2,0,0]=4 514 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O HL0609 [0,1,0,0,0,1|1,0,1]=4 515 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl XJ0460 [0,1,0,0,0,1|1,0,1]=4 516 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O YH66331 [0,1,0,0,0,1|1,0,1]=4 517 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 JZ2645 [0,1,0,0,0,1|1,0,1]=4 518 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 RT6536 [0,1,0,0,0,1|1,0,1]=4 519 B12R1.49 CC1=CC=C(CC(C)C=O)C=C1 XJ5434 [0,1,0,0,0,1|1,0,1]=4 520 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 LT7646 [0,1,0,0,0,1|2,0,0]=4 521 B12R1.118 CCN(CC)CC1=CC=CC=C1 HL0428 [0,1,0,0,0,1|2,0,0]=4 522 B12R1.194 CC(C)(CC1=CC=CC=C1)NO RT3121 [0,1,0,0,0,1|2,0,0]=4 523 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 XJ3854 [0,1,0,0,0,1|1,0,0]=3 524 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 RT3481 [0,1,0,0,0,1|2,0,0]=4 525 B12R1.9 CCC(C)(C)C1=CC=C(O)C=C1 XJ0119 [0,2,0,0,0,0|1,0,0]=3 526 B12R1.10 CC[N+](C)(C)C1=CC=CC(O)=C1 RT16205 [0,2,0,0,0,0|2,0,0]=4 527 B12R1.10 CC[N+](C)(C)C1=CC=CC(O)=C1 YH65077 [0,2,0,0,0,0|2,0,0]=4 528 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 JZ4199 [0,2,0,0,0,0|1,0,1]=4 529 B12R1.253 C[C@@](N)(C(=O)O)C1=CC=CC=C1 YH66305 [0,2,0,0,0,0|1,0,1]=4 530 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 YH50860 [0,2,0,0,0,0|1,0,1]=4 531 B12R1.475 CCC(O)(CC)C1=CC=CC=C1 JZ4653 [0,2,0,0,0,0|1,0,0]=3 532 B12R1.3 CCN(CCCl)C1=CC=CC=C1 HL1185 [0,2,0,0,0,0|2,0,0]=4 533 B12R1.3 CNC(CCO)C1=CC=CC=C1 RT3227 [0,2,0,0,0,0|1,0,0]=3 534 B12R1.12 CCN(CC)C1=CC=C(C)C=C1 HL0164 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 HL1211 [0,2,0,0,0,0|2,0,0]=4 536 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 JZ1929 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 LT5591 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 XJ5961 [0,2,0,0,0,0|2,0,0]=4 539 B12R1.13 CCN(CC)C1=CC=CC(O)=C1 LT6779 [0,2,0,0,0,0|2,0,0]=4 540 B12R1.243 CCN(CC)C1=CC=CC=C1C JZ3917 [0,2,0,0,0,0|2,0,0]=4 541 B12R1.478 CC(=O)C(C#N)C1=CC=CC=C1 XJ2725 [0,2,0,0,0,0|0,0,2]=4 542 B12R1.478 CC(C)C(CN)C1=CC=CC=C1 RT1838 [0,2,0,0,0,0|0,0,0]=2 543 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 JZ0156 [0,2,0,0,0,0|1,0,1]=4 544 B12R1.478 CCC(C(N)=O)C1=CC=CC=C1 XJ0168 [0,2,0,0,0,0|0,0,1]=3 545 B12R1.478 CN(C)C(C#N)C1=CC=CC=C1 JZ4208 [0,2,0,0,0,0|0,0,2]=4 546 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 HL0018 [0,2,0,0,0,0|1,0,1]=4 547 B12R1.16 CCCC(C)C1=CC=C(O)C=C1 RT17651 [0,2,0,0,0,0|1,0,0]=3 548 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 JZ3824 [0,2,0,0,0,0|1,0,0]=3 549 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 LT4056 [0,2,0,0,0,0|1,0,0]=3 550 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 RT4716 [0,2,0,0,0,0|1,0,0]=3 551 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 LX2785 [0,2,0,0,0,0|2,0,0]=4 552 B12R1.16 N[C@H](CCO)C1=CC=C(F)C=C1 YH47867 [0,2,0,0,0,0|2,0,0]=4 553 B12R1.17 CNCC(=O)C1=CC(O)=CC=C1 RT2728 [0,2,0,0,0,0|1,0,1]=4 554 B12R1.17 CNCC(O)C1=CC=CC(O)=C1 RT0358 [0,2,0,0,0,0|1,0,0]=3 555 B12R1.17 CNC[C@H](O)C1=CC=CC(O)=C1 XJ0007 [0,2,0,0,0,0|1,0,0]=3 556 B12R1.17 NC(CCO)C1=CC=CC(Cl)=C1 YH13662 [0,2,0,0,0,0|2,0,0]=4 557 B12R1.17 N[C@H](CCO)C1=CC=CC(Br)=C1 YH66650 [0,2,0,0,0,0|2,0,0]=4 558 B12R1.17 N[C@H](CCO)C1=CC=CC(Br)=C1 YH66666 [0,2,0,0,0,0|2,0,0]=4 559 B12R1.30 CNCCC(O)C1=CC=CC=C1 LT3055 [0,2,0,0,0,0|1,0,0]=3 560 B12R1.30 CNCC[C@@H](O)C1=CC=CC=C1 HL3244 [0,2,0,0,0,0|1,0,0]=3 561 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 RT7260 [0,2,0,0,0,0|1,0,1]=4 562 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 HL1238 [0,2,0,0,0,0|1,0,1]=4 563 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 LT6844 [0,2,0,0,0,0|1,0,0]=3 564 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 LQ2460 [0,2,0,0,0,0|1,0,1]=4 565 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 JZ0890 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 RT12059 [0,2,0,0,0,0|2,0,0]=4 567 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 LQ3693 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 LQ2496 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.308 CC1=CC=CC=C1C(N)CCO RT12768 [0,2,0,0,0,0|2,0,0]=4 570 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 LQ5042 [0,2,0,0,0,0|1,0,1]=4 571 B12R1.20 CC(C(=O)O)C1=CC=C(Cl)C=C1 JZ4316 [0,2,0,0,0,0|1,0,1]=4 572 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 JZ4317 [0,2,0,0,0,0|1,0,1]=4 573 B12R1.20 CC(N)C(O)C1=CC=C(Cl)C=C1 LT5084 [0,2,0,0,0,0|1,0,0]=3 574 B12R1.367 NCC(O)C1=CC(O)=C(O)C=C1 LT7649 [0,2,0,0,0,0|1,0,0]=3 575 B12R1.367 NCC(O)C1=CC(O)=C(O)C=C1 YH04566 [0,2,0,0,0,0|1,0,0]=3 576 B12R1.367 NCC(O)C1=CC=C(O)C(O)=C1 HL3185 [0,2,0,0,0,0|1,0,0]=3 577 B12R1.367 NCC(O)C1=CC=C(O)C(O)=C1 YH55551 [0,2,0,0,0,0|1,0,0]=3 578 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 LX2603 [0,2,0,0,0,0|1,0,0]=3 579 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 LX2787 [0,2,0,0,0,0|1,0,0]=3 580 B12R1.1703 NCC(=O)C1=C(Cl)C=C(Cl)C=C1 YH53846 [0,2,0,0,0,0|1,0,1]=4 581 B12R1.1703 N[C@@H](CO)C1=CC=C(F)C=C1O RT12086 [0,2,0,0,0,0|2,0,0]=4 582 B12R1.1703 O[C@@H](CCl)C1=CC=C(Cl)C=C1Cl YH30362 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.1703 O[C@H](CCl)C1=CC=C(Cl)C=C1Cl YH66335 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.225 CC(C1=CC=CC(O)=C1)N(C)C RT3091 [0,2,0,0,0,0|2,0,0]=4 585 B12R1.225 C[C@@H](C1=CC(O)=CC=C1)N(C)C YH65470 [0,2,0,0,0,0|2,0,0]=4 586 B12R1.564 CC(C)(O)[C@@H](N)C1=CC=CC=C1 YH66511 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.564 CC(C)(O)[C@@H](N)C1=CC=CC=C1 YH66648 [0,2,0,0,0,0|2,0,0]=4 588 B10R2.6 C1=CC=C(C2CN2)C=C1 RT8683 [1,0,0,1,0,0|0,0,0]=2 589 B10R2.6 C1=CC=C(C2CO2)C=C1 XJ4585 [1,0,0,1,0,0|1,0,0]=3 590 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 XJ4586 [1,0,0,1,0,0|1,0,0]=3 591 B10R2.320 O=C1CC2=CC=CC=C12 YH55957 [1,0,0,1,0,0|1,0,1]=4 592 B10R2.7 C1=CC2=C(C=C1)CNC2 LL0906 [1,0,0,1,0,0|2,0,0]=4 593 B10R2.7 C1=CC2=C(C=C1)CNC2 LX2633 [1,0,0,1,0,0|2,0,0]=4 594 B10R2.7 C1=CC2=C(C=C1)NC=C2 SY0038 [1,0,0,1,0,0|0,0,2]=4 595 B10R2.7 C1=CC2=C(C=C1)NN=N2 LQ0258 [1,0,0,1,0,0|2,0,0]=4 596 B10R2.7 C1=CC2=NCCN2C=C1 RT2480 [1,0,0,1,0,0|1,0,1]=4 597 B10R2.7 C1=CC=C2CC=CC2=C1 LQ0257 [1,0,0,1,0,0|1,0,1]=4 598 B10R2.7 C1=CC=C2NCCC2=C1 JZ1571 [1,0,0,1,0,0|0,0,0]=2 599 B10R2.7 C1=CC=C2NN=CC2=C1 LT1127 [1,0,0,1,0,0|1,0,1]=4 600 B10R2.7 C1=CC=C2OCCC2=C1 YH03385 [1,0,0,1,0,0|1,0,0]=3 601 B10R2.7 C1=CN=C2CCCC2=C1 SY0245 [1,0,0,1,0,0|2,0,0]=4 602 B10R2.7 C1=CN=C2CCCC2=C1 XJ1002 [1,0,0,1,0,0|2,0,0]=4 603 B12R2.18 CC1=NC2=CC=CC=C2C1C LT0091 [0,0,0,1,0,1|1,0,1]=4 604 B12R2.18 CC1CC2=C(C=CC=C2)N1N HL3135 [0,0,0,1,0,1|1,0,0]=3 605 B12R2.18 CC1CC2=C(C=CC=C2)N1N LQ4728 [0,0,0,1,0,1|1,0,0]=3 606 B12R2.18 CC1CC2=CC=CC=C2C1=O LQ3991 [0,0,0,1,0,1|1,0,1]=4 607 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O JZ4790 [0,0,0,1,0,1|1,0,0]=3 608 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O YH32938 [0,0,0,1,0,1|1,0,0]=3 609 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O LT4572 [0,0,0,1,0,1|1,0,0]=3 610 B12R2.18 OC1C2=C(C=CC=C2)CC1Br HL2931 [0,0,0,1,0,1|2,0,0]=4 611 B12R2.24 CC1CCC2=CC=CC=C2N1 XJ1928 [0,0,0,1,0,1|1,0,0]=3 612 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)N1 LT1109 [0,0,0,1,0,1|0,0,0]=2 613 B12R2.24 C[C@H]1CNC2=C(C=CC=C2)N1 LT1108 [0,0,0,1,0,1|0,0,0]=2 614 B12R2.24 NC1CCC2=C(C=CC=C2)C1 YH65482 [0,0,0,1,0,1|2,0,0]=4 615 B12R2.24 NC1CCC2=CC=CC=C2C1 JZ2198 [0,0,0,1,0,1|2,0,0]=4 616 B12R2.24 N[C@@H]1CCC2=CC=CC=C2C1 JZ5475 [0,0,0,1,0,1|2,0,0]=4 617 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 LQ4317 [0,0,0,1,0,1|2,0,0]=4 618 B12R2.32 CCC1=CC2=C(C=CC=C2)C1 XJ4312 [0,0,0,1,0,1|1,0,1]=4 619 B12R2.32 ICC1CC2=CC=CC=C2O1 RT9864 [0,0,0,1,0,1|1,0,0]=3 620 B12R2.32 NCC1=NC2=CC=CC=C2N1 LQ3005 [0,0,0,1,0,1|1,0,1]=4 621 B12R2.32 O=CC1CC2=CC=CC=C2O1 LQ2632 [0,0,0,1,0,1|1,0,1]=4 622 B12R2.116 CC1(C2=CC=CC=C2)CNC1 RT9865 [0,1,0,1,0,0|0,0,0]=2 623 B12R2.1 NCC1=CSC2=CC=CC=C12 YH00100 [0,1,0,1,0,0|0,0,2]=4 624 B12R2.1 OCC1=CNC2=C1C=CC=C2 LT4083 [0,1,0,1,0,0|0,0,2]=4 625 B12R2.1 OCC1=CNC2=CC=CC=C12 LT7617 [0,1,0,1,0,0|0,0,2]=4 626 B12R2.2 C1=CC(C2CCCN2)=CC=N1 RT7690 [0,1,0,1,0,0|2,0,0]=4 627 B12R2.2 C1=CC=C(C2CCCN2)C=C1 HL0594 [0,1,0,1,0,0|1,0,0]=3 628 B12R2.2 C1=CC=C(C2CCCO2)C=C1 YH37915 [0,1,0,1,0,0|1,0,0]=3 629 B12R2.2 C1=CC=C(C2CCNC2)C=C1 YH65152 [0,1,0,1,0,0|0,0,0]=2 630 B12R2.2 C1=CC=C(C2CCNC2)C=C1 YH96657 [0,1,0,1,0,0|0,0,0]=2 631 B12R2.2 C1=CC=C(N2CCCC2)C=C1 XJ2611 [0,1,0,1,0,0|2,0,0]=4 632 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 YH65558 [0,1,0,1,0,0|1,0,0]=3 633 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 YH07424 [0,1,0,1,0,0|1,0,0]=3 634 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 YH89689 [0,1,0,1,0,0|0,0,0]=2 635 B12R2.2 C1=CN=C(C2CCNC2)C=C1 LT3794 [0,1,0,1,0,0|1,0,0]=3 636 B12R2.2 C1=CN=CC(C2CCCN2)=C1 XJ2984 [0,1,0,1,0,0|2,0,0]=4 637 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 RT14833 [0,1,0,1,0,0|2,0,0]=4 638 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 YH05386 [0,1,0,1,0,0|1,0,0]=3 639 B12R2.1081 CC1CCNC2=C1C=CC=C2 JZ5356 [0,1,0,1,0,0|0,0,0]=2 640 B12R2.1081 CC1NCCC2=C1C=CC=C2 XJ2816 [0,1,0,1,0,0|1,0,0]=3 641 B12R2.1081 NC1CCNC2=CC=CC=C21 YH65897 [0,1,0,1,0,0|1,0,0]=3 642 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 JZ5559 [0,1,0,1,0,0|2,0,0]=4 643 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 XJ5138 [0,1,0,1,0,0|2,0,0]=4 644 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 JZ5560 [0,1,0,1,0,0|2,0,0]=4 645 B12R2.1081 OC1CCNC2=C1C=CC=C2 YH48820 [0,1,0,1,0,0|1,0,0]=3 646 B12R2.1081 OC1CNCC2=C1C=CC=C2 RT7798 [0,1,0,1,0,0|1,0,0]=3 647 B12R2.2028 CC1=CC(C)C2=C1C=CC=C2 YH66162 [0,1,0,1,0,0|1,0,1]=4 648 B12R2.79 NC1CC1C2=CC=C(F)C=C2 RT3576 [0,1,0,1,0,0|0,0,0]=2 649 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(F)C=C2 RT3436 [0,1,0,1,0,0|0,0,0]=2 650 B12R2.612 NC1CCC2=CC(Br)=CC=C21 YH97266 [0,1,0,1,0,0|2,0,0]=4 651 B12R2.2302 BrC1=CC=C(C2CNC2)C=C1 RT9917 [0,1,0,1,0,0|0,0,0]=2 652 B12R2.2302 ClC1=CC=C(C2CNC2)C=C1 RT9918 [0,1,0,1,0,0|0,0,0]=2 653 B12R2.2302 FC1=CC=C(C2CNC2)C=C1 RT9556 [0,1,0,1,0,0|0,0,0]=2 654 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 LX3278 [0,1,0,1,0,0|0,0,0]=2 655 B12R2.132 CC1=CNC2=C1C=C(F)C=C2 HL1736 [0,1,0,1,0,0|0,0,2]=4 656 B12R2.132 CC1=NNC2=C1C=C(O)C=C2 YH94517 [0,1,0,1,0,0|1,0,1]=4 657 B12R2.132 NC1CCC2=CC=C(Br)C=C21 YH94710 [0,1,0,1,0,0|2,0,0]=4 658 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 RT1823 [0,1,0,1,0,0|2,0,0]=4 659 B12R2.132 N[C@@H]1CCC2=CC=C(F)C=C21 YH19003 [0,1,0,1,0,0|2,0,0]=4 660 B12R2.196 CC1=CC=CC2=C1C=CC2C YH65961 [0,1,0,1,0,0|1,0,1]=4 661 B12R2.196 CC1=CNC2=C1C=CC=C2Br YH66642 [0,1,0,1,0,0|0,0,2]=4 662 B12R2.196 NC1CCC2=C1C=CC=C2F YH35733 [0,1,0,1,0,0|2,0,0]=4 663 B12R2.1282 NC1(C2=CC=CC(F)=C2)CC1 RT3545 [0,1,0,1,0,0|2,0,0]=4 664 B12R2.2313 ClC1=CC(C2CNC2)=CC=C1 RT9560 [0,1,0,1,0,0|0,0,0]=2 665 B12R2.2313 FC1=CC(C2CNC2)=CC=C1 RT9559 [0,1,0,1,0,0|0,0,0]=2 666 B12R2.92 CC1(C)CC1C2=CC=CC=C2 LQ3308 [0,1,0,1,0,0|1,0,0]=3 667 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 YH34665 [0,1,0,1,0,0|1,0,1]=4 668 B12R3.12 C1=CC=C2C(=C1)CC3OC23 YH17985 [0,0,0,2,0,0|2,0,0]=4 669 B8R1.7 CC(C)C1=CC=CO1 JZ3469 [1,0,0,0,1,0|1,0,0]=3 670 B8R1.7 CC(C)C1=NC=CN1 LT1583 [1,0,0,0,1,0|2,0,0]=4 671 B8R1.7 CC(C)N1C=CN=C1 LX2496 [1,0,0,0,1,0|2,0,0]=4 672 B8R1.7 CC(N)C1=CN=CO1 RT14536 [1,0,0,0,1,0|2,0,0]=4 673 B8R1.7 C[C@@H](N)C1=CC=CO1 RT3868 [1,0,0,0,1,0|1,0,0]=3 674 B8R1.8 NCCC1=CC=NN1 RT1410 [1,0,0,0,1,0|2,0,0]=4 675 B8R1.8 NCCC1=CNC=N1 HL1018 [1,0,0,0,1,0|2,0,0]=4 676 B8R1.8 NCCC1=CNC=N1 LQ0056 [1,0,0,0,1,0|2,0,0]=4 677 B8R1.8 NCCN1C=CN=C1 XJ2978 [1,0,0,0,1,0|2,0,0]=4 678 B8R1.8 OCCC1=CC=CS1 LT0210 [1,0,0,0,1,0|2,0,0]=4 679 B12R1.27 NCC(=O)OCC1=CC=CC=C1 JZ4757 [0,0,0,0,0,2|1,0,1]=4 680 B12R1.27 NCC(=O)OCC1=CC=CC=C1 RT5531 [0,0,0,0,0,2|1,0,1]=4 681 B12R1.27 OCC(O)COC1=CC=CC=C1 LT3080 [0,0,0,0,0,2|2,0,0]=4