0 B10R1.11 CCCC(=O)C1=CC=CS1 XJ2839 [0,0,0,0,0,0|0,1,0]=1 1 B10R1.11 CCOC(=O)C1=CC=CN1 LX2718 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.11 CCOC(=O)C1=CC=CS1 HL2383 [0,0,0,0,0,0|1,1,0]=2 3 B10R1.11 CCOC(=O)C1=CNC=N1 XJ4741 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.11 CCOC(=O)C1=CNN=C1 RT14133 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.11 CCOC(=O)C1=CSC=N1 LQ3748 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.11 CCOC(=O)C1=NC=CN1 LQ4757 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.11 CCOC(=O)C1CC=CC1 LQ4260 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.11 N#CCC(=O)C1=CC=CN1 RT14418 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.11 O=C(CCCl)C1=CC=CS1 YH65807 [0,0,0,0,0,0|1,1,0]=2 10 B10R1.11 OC(CCCl)C1=CC=CS1 YH65507 [0,0,0,0,0,0|1,1,2]=4 11 B9R1.11 CCC(=O)C1=CC=CN1 JZ4355 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.11 CCC(=O)C1=CC=CO1 JZ2245 [1,0,0,0,0,0|0,0,0]=1 13 B9R1.11 CCC(=O)C1=CC=CS1 JZ4817 [1,0,0,0,0,0|0,1,0]=2 14 B9R1.11 CCC(=O)C1=CC=CS1 LT0591 [1,0,0,0,0,0|0,1,0]=2 15 B9R1.11 COC(=O)C1=CC=CO1 LX2989 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.11 COC(=O)C1=CNC=C1 YH51079 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.11 COC(=O)C1=CNC=N1 LX2313 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.11 COC(=O)C1=NNC=C1 RT8686 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.11 CSC(=O)C1=CC=CO1 JZ4812 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.11 NNC(=O)C1=CC=CO1 XJ2474 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.11 NNC(=O)C1=CC=CS1 LQ2134 [1,0,0,0,0,0|2,1,0]=4 22 B9R1.11 O=C(CCl)C1=CC=CS1 LT0548 [1,0,0,0,0,0|1,1,0]=3 23 B9R1.12 CCCCC1=CSC=C1 CJ2145 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.12 CCCCC1=NC=CN1 YH04182 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.12 CSSCC1=CC=CO1 XJ5836 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.12 O=C\C=C\C1=CC=CO1 JZ1034 [1,0,0,0,0,0|1,0,2]=4 27 B11R1.15 CCOC(=O)C1=CN=C(Br)S1 XJ5467 [0,1,0,0,0,0|2,1,0]=4 28 B11R1.15 CCOC(=O)C1=CN=C(N)S1 YH54736 [0,1,0,0,0,0|2,1,0]=4 29 B11R1.15 CCOC(=O)C1=CNC(C)=N1 YH91397 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.15 CCOC(=O)C1=COC(N)=N1 RT4500 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.15 CCOC(=O)C1=CSC(Br)=C1 YH39378 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.15 CCOC(=O)C1=CSC(N)=N1 HL2923 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.15 CCOC(=O)C1=NC(Br)=CS1 YH98273 [0,1,0,0,0,0|2,1,0]=4 34 B11R1.15 CCOC(=O)C1=NNC(N)=C1 XJ6802 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.29 CNCCC(O)C1=CC=CS1 RT2121 [0,1,0,0,0,0|0,1,2]=4 36 B11R1.29 CNCC[C@H](O)C1=CC=CS1 HL3304 [0,1,0,0,0,0|0,1,2]=4 37 B11R1.199 CCOC(=O)C1=C(Br)N=CS1 YH65694 [0,1,0,0,0,0|2,1,0]=4 38 B11R1.199 CCOC(=O)C1=C(C)C=CN1 YH54651 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.199 CCOC(=O)C1=C(C)N=CN1 YH04679 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.199 CCOC(=O)C1=C(C)N=CS1 LX2073 [0,1,0,0,0,0|2,1,0]=4 41 B11R1.199 CCOC(=O)C1=C(C)NC=C1 JZ4299 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.199 CCOC(=O)C1=C(C)OC=C1 YH52165 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.199 CCOC(=O)C1=C(N)C=CN1 LT5971 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.199 CCOC(=O)C1=C(N)C=NN1 LQ5344 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.199 CCOC(=O)C1=C(N)SC=C1 RT15190 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.199 CN1C=CC=C1C(=O)CC#N RT14415 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.16 CCCC(C)C1=CC=CC=C1 XJ2276 [0,0,0,0,0,1|2,0,1]=4 48 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 HL2642 [0,0,0,0,0,1|2,0,1]=4 49 B11R1.16 CCOC(=N)C1=CC=CC=C1 XJ2841 [0,0,0,0,0,1|3,0,0]=4 50 B11R1.16 CCOC(=O)C1=CC=CC=C1 HL1235 [0,0,0,0,0,1|2,0,0]=3 51 B11R1.16 CCOC(=O)C1=CC=CC=C1 XJ5129 [0,0,0,0,0,1|2,0,0]=3 52 B11R1.16 CCOC(=O)C1=CC=NC=C1 JZ0760 [0,0,0,0,0,1|2,0,0]=3 53 B11R1.16 CCOC(=O)C1=CC=NN=C1 YH58768 [0,0,0,0,0,1|3,0,0]=4 54 B11R1.16 CCOC(=O)C1=CCC=CC1 RT16430 [0,0,0,0,0,1|2,0,0]=3 55 B11R1.16 CCOC(=O)C1=CN=CC=C1 JZ0757 [0,0,0,0,0,1|2,0,0]=3 56 B11R1.16 CCOC(=O)C1=NC=NC=C1 XJ5992 [0,0,0,0,0,1|2,0,0]=3 57 B11R1.16 COCC(=O)C1=CC=CC=C1 XJ2596 [0,0,0,0,0,1|2,0,0]=3 58 B11R1.16 N#CCC(=O)C1=CC=CC=C1 LT6989 [0,0,0,0,0,1|2,0,1]=4 59 B11R1.16 O=C(CCBr)C1=CC=CC=C1 YH65517 [0,0,0,0,0,1|2,0,0]=3 60 B11R1.16 O=C(CCCl)C1=CC=CC=C1 YH58599 [0,0,0,0,0,1|2,0,0]=3 61 B8R0.1 C(=O)\C=C\C(=O)OCC JZ2204 [1,0,1,0,0,0|1,0,1]=4 62 B8R0.4 CCC\C=C\C=C\C=O LT5073 [1,0,1,0,0,0|0,0,1]=3 63 B8R1.7 CC(=O)C1=CC=CS1 LT4058 [2,0,0,0,0,0|0,1,0]=3 64 B8R1.7 CC(=O)C1=CNC=C1 JZ4350 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.7 CC(=O)C1=CNC=N1 YH10387 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.7 CC(=O)C1=CSC=C1 LT2539 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.7 CC(C)C1=CC=CO1 JZ3469 [2,0,0,0,0,0|1,0,1]=4 68 B8R1.7 C[C@@H](N)C1=CC=CO1 RT3868 [2,0,0,0,0,0|1,0,1]=4 69 B8R1.7 O=C(Cl)C1=CC=CO1 LQ0957 [2,0,0,0,0,0|1,0,0]=3 70 B8R1.7 O=C(Cl)C1=CC=CS1 RT9297 [2,0,0,0,0,0|1,1,0]=4 71 B8R1.7 O=C(O)C1=CC=CN1 LQ1319 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.7 O=C(O)C1=CC=CO1 LQ4516 [2,0,0,0,0,0|1,0,0]=3 73 B8R1.7 O=C(O)C1=CC=CO1 LT6552 [2,0,0,0,0,0|1,0,0]=3 74 B8R1.8 CNCC1=CC=NO1 YH59432 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.8 CSCC1=CC=CO1 LT5048 [2,0,0,0,0,0|1,0,0]=3 76 B8R1.8 OCCC1=CC=CS1 LT0210 [2,0,0,0,0,0|1,1,0]=4 77 B10R0.3 CCOC(=O)\C=C\C=C(C)C RT1214 [0,1,1,0,0,0|2,0,0]=4 78 B10R0.108 C\C=C(C)\C=C\C(=O)OCC RT18867 [0,1,1,0,0,0|2,0,0]=4 79 B10R1.14 CC1=NOC(C(=O)CBr)=C1 YH22762 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.14 COC(=O)C1=CC(O)=NO1 JZ3359 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.14 COC(=O)C1=CC=C(N)S1 YH35219 [1,1,0,0,0,0|1,1,0]=4 82 B10R1.149 COC(=O)C1=C(Br)C=CS1 YH50318 [1,1,0,0,0,0|1,1,0]=4 83 B10R1.149 COC(=O)C1=C(C)C=CO1 XJ3015 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.149 COC(=O)C1=C(C)C=CS1 HL4684 [1,1,0,0,0,0|1,1,0]=4 85 B10R1.149 COC(=O)C1=C(N)C=CS1 LT2439 [1,1,0,0,0,0|1,1,0]=4 86 B10R1.149 COC(=O)C1=C(O)C=CS1 LQ2774 [1,1,0,0,0,0|1,1,0]=4 87 B10R1.21 CCCCCC1=CC=CO1 HL2632 [1,1,0,0,0,0|0,0,1]=3 88 B10R1.66 CC(=O)\C=C/C1=CC=CO1 HL3203 [1,1,0,0,0,0|0,0,2]=4 89 B10R1.66 CC(C)SCC1=CC=CO1 LT5478 [1,1,0,0,0,0|1,0,1]=4 90 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 RT11080 [0,1,0,0,0,1|1,0,0]=3 91 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 XJ0996 [0,1,0,0,0,1|1,0,0]=3 92 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 HL3014 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 LQ3269 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=C1 LT5203 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 CJ2917 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 SY0289 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 YH48180 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.16 CCOC(=O)C1=CC=C(N)N=C1 YH65801 [0,1,0,0,0,1|2,0,0]=4 99 B12R1.16 CCOC(=O)C1=CN=C(O)C=C1 LX3039 [0,1,0,0,0,1|2,0,0]=4 100 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 LT4187 [0,1,0,0,0,1|2,0,0]=4 101 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 LQ0709 [0,1,0,0,0,1|2,0,0]=4 102 B12R1.16 O=C(CCCl)C1=CC=C(O)C=C1 RT10798 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.17 CCOC(=O)C1=CC(=O)NC=N1 YH47503 [0,1,0,0,0,1|2,0,0]=4 104 B12R1.17 CCOC(=O)C1=CC(C)=CC=C1 LL0469 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.17 CCOC(=O)C1=CC(C)=CN=C1 HL1082 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.17 CCOC(=O)C1=CC(Cl)=CC=C1 HL0704 [0,1,0,0,0,1|2,0,0]=4 107 B12R1.17 CCOC(=O)C1=CC(F)=CC=C1 XJ0783 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 XJ0992 [0,1,0,0,0,1|2,0,0]=4 109 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 XJ3863 [0,1,0,0,0,1|2,0,0]=4 110 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 XJ3351 [0,1,0,0,0,1|2,0,0]=4 111 B12R1.17 CCOC(=O)C1=CC(O)=CN=C1 YH08900 [0,1,0,0,0,1|2,0,0]=4 112 B12R1.17 CCOC(=O)C1=NC(Br)=CC=C1 YH45965 [0,1,0,0,0,1|2,0,0]=4 113 B12R1.17 CCOC(=O)C1=NC=NC(Cl)=C1 YH04924 [0,1,0,0,0,1|2,0,0]=4 114 B12R1.17 CNCC(=O)C1=CC(O)=CC=C1 RT2728 [0,1,0,0,0,1|2,0,0]=4 115 B12R1.30 CCCCC(=O)C1=CC=CC=C1 HL0607 [0,1,0,0,0,1|1,0,0]=3 116 B12R1.30 CCCNC(=O)C1=NC=CC=C1 CJ3376 [0,1,0,0,0,1|1,0,0]=3 117 B12R1.30 CCCOC(=O)C1=CC=CC=C1 HL2226 [0,1,0,0,0,1|1,0,0]=3 118 B12R1.30 NCCOC(=O)C1=CN=CC=C1 RT2347 [0,1,0,0,0,1|2,0,0]=4 119 B12R1.30 O=C(CCCO)C1=CC=CN=C1 RT9397 [0,1,0,0,0,1|1,0,0]=3 120 B12R1.30 O=C(OCCO)C1=CC=CC=C1 RT0571 [0,1,0,0,0,1|2,0,0]=4 121 B12R1.34 CCC(Br)C(=O)C1=CC=CC=C1 RT12924 [0,1,0,0,0,1|1,0,0]=3 122 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HL1237 [0,1,0,0,0,1|1,0,1]=4 123 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 LQ0202 [0,1,0,0,0,1|2,0,0]=4 124 B12R1.308 CCOC(=O)C1=C(C)C=NC=C1 YH08753 [0,1,0,0,0,1|2,0,0]=4 125 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 LQ3267 [0,1,0,0,0,1|2,0,0]=4 126 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 LL0830 [0,1,0,0,0,1|2,0,0]=4 127 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 HL2008 [0,1,0,0,0,1|2,0,0]=4 128 B12R1.308 CCOC(=O)C1=C(N)C=CC=N1 RT2194 [0,1,0,0,0,1|2,0,0]=4 129 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 JZ4908 [0,1,0,0,0,1|2,0,0]=4 130 B12R1.308 CCOC(=O)C1=C(O)C=CN=C1 YH08219 [0,1,0,0,0,1|2,0,0]=4 131 B12R1.312 CCOC(=O)C1=CN=C(CCl)O1 RT4586 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.313 CCOC(=O)C1=C(C)C=C(C)N1 JZ1932 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.313 CCOC(=O)C1=C(C)C=C(N)S1 LT0697 [0,2,0,0,0,0|1,1,0]=4 134 B12R1.35 CCCCCC(=O)C1=CC=CS1 LQ4517 [0,2,0,0,0,0|0,1,0]=3 135 B12R1.54 CN(C)CCC(=O)C1=CC=CS1 LX2642 [0,2,0,0,0,0|0,1,0]=3 136 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 LQ2684 [0,2,0,0,0,0|0,1,1]=4 137 B10R1.10 CCCC1=CC(N)=CC=C1 YH65505 [0,0,1,1,0,0|2,0,0]=4 138 B10R1.10 CCOC1=CC=CC(O)=C1 JZ3968 [0,0,1,1,0,0|2,0,0]=4 139 B10R1.10 NCCC1=CC=CC(O)=C1 YH55865 [0,0,1,1,0,0|2,0,0]=4 140 B10R1.10 OCCC1=CC=CC(O)=C1 YH66577 [0,0,1,1,0,0|2,0,0]=4 141 B10R1.4 CCCC1=CC=CC=C1O JZ4091 [0,0,1,1,0,0|1,0,0]=3 142 B10R1.4 CCOC1=C(O)C=CC=C1 LQ0245 [0,0,1,1,0,0|2,0,0]=4 143 B10R1.4 NCCC1=CC=CC=C1O RT6527 [0,0,1,1,0,0|2,0,0]=4 144 B12R2.2 C1=CN=C(C2=NCCC2)C=C1 RT9388 [0,0,0,1,0,1|2,0,0]=4 145 B12R2.2 C1=CN=CC(C2=NCCC2)=C1 LL0933 [0,0,0,1,0,1|2,0,0]=4 146 B12R2.1081 O=C1CCCC2=C1C=CC=C2 RT11341 [0,0,0,1,0,1|1,0,0]=3 147 B12R2.1081 O=C1CCCC2=CC=CN=C12 LX2062 [0,0,0,1,0,1|1,0,0]=3 148 B12R2.1081 O=C1CCCC2=CC=NC=C12 YH46803 [0,0,0,1,0,1|1,0,0]=3 149 B12R2.1081 O=C1CCCC2=CN=CC=C12 YH46802 [0,0,0,1,0,1|1,0,0]=3 150 B12R2.1081 O=C1CCCC2=NC=CC=C12 YH05749 [0,0,0,1,0,1|1,0,0]=3 151 B12R2.1081 O=C1CCOC2=CC=CC=C12 LL0873 [0,0,0,1,0,1|2,0,0]=4 152 B12R2.1081 O=C1NCCC2=CC=CC=C12 JZ4485 [0,0,0,1,0,1|2,0,0]=4 153 B12R2.1081 O=C1OCCC2=CC=CC=C12 LQ2745 [0,0,0,1,0,1|2,0,0]=4 154 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 LQ2435 [0,0,0,1,0,1|1,0,0]=3 155 B12R2.202 NC1=NC2=C(S1)C(=O)CCC2 RT19721 [0,1,0,1,0,0|1,1,0]=4 156 B12R2.202 NC1=NC2=C(S1)C(=O)CCC2 YH65715 [0,1,0,1,0,0|1,1,0]=4 157 B12R2.202 O=C1NCCC2=C1SC(Br)=C2 YH98301 [0,1,0,1,0,0|1,1,0]=4 158 B10R1.15 C1=CC=C(C(=O)OC)C=C1 LQ3514 [1,0,0,0,0,1|2,0,0]=4 159 B10R1.15 CCC(=O)C1=CC=CN=C1 JZ4667 [1,0,0,0,0,1|1,0,0]=3 160 B10R1.15 CNC(=O)C1=CC=CC=C1 HL0175 [1,0,0,0,0,1|2,0,0]=4 161 B10R1.15 CNC(=O)C1=NC=CC=C1 RT3529 [1,0,0,0,0,1|2,0,0]=4 162 B10R1.15 COC(=O)C1=CC=CN=C1 JZ0756 [1,0,0,0,0,1|2,0,0]=4 163 B10R1.15 COC(=O)C1=CC=NC=C1 RT1566 [1,0,0,0,0,1|2,0,0]=4 164 B10R1.15 COC(=O)C1=NC=CC=N1 YH55623 [1,0,0,0,0,1|2,0,0]=4 165 B10R1.15 NCC(=O)C1=CC=CC=C1 LT5895 [1,0,0,0,0,1|2,0,0]=4 166 B10R1.15 NCC(=O)C1=CC=CN=C1 RT4369 [1,0,0,0,0,1|2,0,0]=4 167 B10R1.15 O=C(CBr)C1=CC=CC=C1 RT11120 [1,0,0,0,0,1|2,0,0]=4 168 B10R1.15 O=C(CBr)C1=CC=CC=C1 YH43692 [1,0,0,0,0,1|2,0,0]=4 169 B10R1.15 O=C(CBr)C1=CC=NC=C1 XJ2872 [1,0,0,0,0,1|2,0,0]=4 170 B10R1.15 O=C(CBr)C1=NC=CC=C1 LQ4012 [1,0,0,0,0,1|2,0,0]=4 171 B10R1.15 O=C(CBr)C1=NC=CN=C1 RT9592 [1,0,0,0,0,1|2,0,0]=4 172 B10R1.15 O=C(CCl)C1=CC=CC=C1 LT3832 [1,0,0,0,0,1|2,0,0]=4 173 B10R1.17 CCCCC1=CC=CN=C1 XJ0908 [1,0,0,0,0,1|1,0,1]=4 174 B10R1.17 CCCCC1=NC=CC=C1 HL2877 [1,0,0,0,0,1|1,0,1]=4 175 B10R1.17 CCCNC1=CC=CC=C1 XJ1126 [1,0,0,0,0,1|2,0,0]=4 176 B10R1.17 CCCOC1=CC=CC=C1 XJ1127 [1,0,0,0,0,1|2,0,0]=4 177 B12R1.32 CCCC(=O)CC1=CC=CC=C1 RT12903 [0,0,0,0,0,2|1,0,0]=3 178 B12R1.32 CCOC(=O)CC1=CC=NC=C1 RT14075 [0,0,0,0,0,2|2,0,0]=4 179 B12R1.32 CCOC(=O)CC1=NC=CC=C1 XJ2291 [0,0,0,0,0,2|2,0,0]=4 180 B12R1.32 CCOC(=O)NC1=CC=CC=C1 LQ0343 [0,0,0,0,0,2|2,0,0]=4