0 B11R1.22 C=C[C@H](N)C1=CC=C(O)C=C1 N15298 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.22 C=C[C@H](N)C1=CC=C(O)C=C1 N15299 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.22 C=C[C@H](N)C1=CC=C(O)C=C1 N15300 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 C75563 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 AC6089 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.22 CC1=CC=C(C(=S)NN)C=C1 W10974 [0,0,0,0,0,0|3,1,0]=4 6 B11R1.22 CC1=CC=C(\C(Cl)=N\O)C=C1 65912 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.22 CCC(=O)C1=CN=C(Br)C=C1 F50479 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.22 CCC(=O)C1=CN=C(C)C=C1 N14278 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.22 CCC(=O)C1=CN=C(F)C=C1 N14274 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 O10385 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 N12295 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.22 CNC(=O)C1=CN=C(Cl)N=C1 C72448 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.22 CNC(=O)C1=NC=C(N)C=C1 AT26730 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y11091 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y11092 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.22 COC(=N)C1=CC=C(Br)C=C1 AC7283 [0,0,0,0,0,0|2,0,0]=2 17 B11R1.22 COC(=O)C1=CN=C(C)N=C1 P11085 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.22 CO[C@@H](C)C1=CC=C(Br)C=C1 N11516 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.22 CO[S@@](=O)C1=CC=C(C)C=C1 D92807 [0,0,0,0,0,0|2,0,0]=2 20 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 70995 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 24831 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 F14651 [0,0,0,0,0,0|2,0,0]=2 23 B11R1.22 NCC(=O)C1=NC=C(Br)C=C1 90935 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 F16864 [0,0,0,0,0,0|3,0,1]=4 25 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 F16884 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 N10530 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.22 O=C(CF)C1=CC=C(Br)C=C1 W17424 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.22 O=C(CO)C1=CC=C(O)C=C1 D87702 [0,0,0,0,0,0|2,0,0]=2 29 B11R1.22 O=C([13CH2]Br)C1=CC=C(Br)C=C1 D97990 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 O10480 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.1 CC1=CC=C(\C=N\O)C=C1 AC8737 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.1 CCOC1=NC=C(O)C=C1 D75011 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [1,0,0,0,0,0|0,1,1]=3 34 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [1,0,0,0,0,0|1,1,1]=4 35 B10R1.1 N\N=C\C1=CC=C(O)C=C1 F15571 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.13 CC(=O)C1=CN=C(C)N=C1 32219 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.13 CC(=O)C1=NN=C(C)C=C1 P12332 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.13 CC1=CC=C([S@@](=O)Cl)C=C1 C14066 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.13 CC1=NC=C(C(=O)Cl)C=C1 C90488 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.13 CN(C)C1=CC=C(S)C=C1 T70960 [1,0,0,0,0,0|2,1,0]=4 41 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 F16941 [1,0,0,0,0,0|1,0,1]=3 42 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 N12656 [1,0,0,0,0,0|1,0,1]=3 43 B10R1.13 O=C(O)C1=CN=C(S)N=C1 AT18396 [1,0,0,0,0,0|2,1,0]=4 44 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.15 CCC(=O)C1=CC=NC=C1 N12310 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.15 CCC(=O)C1=NC=CC=N1 D72036 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.15 COC(=N)C1=CC=CC=C1 W12775 [1,0,0,0,0,0|1,0,0]=2 50 B10R1.15 COC(=N)C1=CC=NC=C1 D87808 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.15 COC(=O)N1C=CC=CC1 F21432 [1,0,0,0,0,0|1,0,1]=3 52 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14528 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14530 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.15 NCC(=O)C1=CN=CC=C1 D87739 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.15 NCC(=O)C1=CN=CC=C1 F13353 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.15 N\C(=N/O)C1=CC=CC=C1 L10027 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.15 O=C(CO)C1=CC=NC=C1 AC5781 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.15 O=C(CO)C1=CN=CC=C1 AC2803 [1,0,0,0,0,0|3,0,0]=4 59 B12R1.5 C=CC1=CN=C(C(=O)OC)C=N1 57063 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 23929 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.5 CCC1=CC=C(C(=O)CO)C=C1 AC2757 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.5 CCC1=NC=C(C(=O)OC)C=C1 92554 [0,1,0,0,0,0|2,0,0]=3 63 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 97264 [0,1,0,0,0,0|2,0,1]=4 64 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N10941 [0,1,0,0,0,0|2,0,1]=4 65 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N12242 [0,1,0,0,0,0|2,0,1]=4 66 B12R1.5 CNC(=O)C1=CC=C(CBr)C=C1 D97640 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 97528 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.5 CN[C@@H](C)C1=CC=C(OC)C=C1 N12207 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 57141 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 P16732 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.5 COC(=O)C1=NC=C(C#N)N=C1 N13264 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.5 COC(=O)C1=NC=C(CN)C=N1 57157 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.5 COC(=O)C1=NC=C(CO)N=C1 89312 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.5 COC(=O)C1=NN=C(CN)C=C1 57149 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.5 COC(=O)C1=NN=C(OC)C=C1 94343 [0,1,0,0,0,0|2,0,0]=3 76 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 76157 [0,1,0,0,0,0|2,0,0]=3 77 B12R1.5 COC1=CC=C(C(=O)CO)C=C1 AC6103 [0,1,0,0,0,0|2,0,0]=3 78 B12R1.5 COC1=NC=C(C(=O)CCl)C=C1 D77905 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.5 COC1=NC=C(C(=O)NN)C=C1 W19083 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.5 CSC1=CC=C(C(=O)CBr)C=C1 H10559 [0,1,0,0,0,0|2,1,0]=4 81 B12R1.9 CC[S@](=N)(=O)C1=CC=C(Br)C=C1 W13287 [0,1,0,0,0,0|3,0,0]=4 82 B12R1.12 CCC(=C=O)C1=CC=C(C)C=C1 F50686 [0,1,0,0,0,0|2,0,0]=3 83 B12R1.12 COC(OC)C1=CC=C(C)C=C1 D76271 [0,1,0,0,0,0|1,0,2]=4 84 B12R1.16 CCCC(=O)C1=CN=C(Br)C=C1 N14277 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.16 CCOC(=N)C1=CC=C(Br)C=C1 91791 [0,1,0,0,0,0|2,0,0]=3 86 B12R1.16 CCOC(=O)C1=CNC(=O)N=C1 S11950 [0,1,0,0,0,0|2,0,1]=4 87 B12R1.16 CCOC(=O)C1=NC=C(C)C=N1 D88008 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.16 COC[C@H](N)C1=CC=C(Br)C=C1 N11361 [0,1,0,0,0,0|2,0,1]=4 89 B12R1.16 COC[C@H](N)C1=CC=C(Cl)C=C1 N13032 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.16 COC[C@H](N)C1=CC=C(F)C=C1 N13057 [0,1,0,0,0,0|2,0,1]=4 91 B12R1.16 COC[C@H](N)C1=CC=C(F)C=C1 N13150 [0,1,0,0,0,0|2,0,1]=4 92 B12R1.16 COC[C@H](N)C1=CC=C(F)C=C1 N16979 [0,1,0,0,0,0|2,0,1]=4 93 B12R1.16 N#CCC(=O)C1=CC=C(I)C=C1 FD6033 [0,1,0,0,0,0|2,0,1]=4 94 B12R1.20 CC(=O)C(=O)C1=CC=C(Br)C=C1 H11214 [0,1,0,0,0,0|2,0,0]=3 95 B12R1.20 CC(=O)C(=O)C1=CC=C(C)C=C1 H11218 [0,1,0,0,0,0|2,0,0]=3 96 B12R1.20 CC(C)C(=O)C1=CN=C(Cl)C=C1 N14276 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.20 CC(C)C(=O)C1=NC=C(Br)C=C1 N14257 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.20 CC(C)C(=O)C1=NC=C(Cl)C=C1 N14253 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.20 CC(O)C(N)C1=CC=C(O)C=C1 N15674 [0,1,0,0,0,0|2,0,1]=4 100 B12R1.20 CC(O)[C@H](N)C1=CC=C(O)C=C1 N15675 [0,1,0,0,0,0|2,0,1]=4 101 B12R1.20 CN(C)C(=O)C1=NC=C(Br)C=C1 C91397 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(O)C=C1 N15676 [0,1,0,0,0,0|2,0,1]=4 103 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(O)C=C1 N15678 [0,1,0,0,0,0|2,0,1]=4 104 B12R1.20 C[C@H](Cl)C(=O)C1=CC=C(F)C=C1 C16405 [0,1,0,0,0,0|2,0,0]=3 105 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(O)C=C1 N15677 [0,1,0,0,0,0|2,0,1]=4 106 B12R1.20 O=C(C1=CC=C(Cl)C=C1)C(F)F 55164 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.367 CC1=C(F)C=CC(C(=O)CO)=C1 AC3993 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.367 CCC(=O)C1=CC(Br)=C(Cl)C=C1 N12212 [0,1,0,0,0,0|2,0,0]=3 109 B12R1.367 CCC(=O)C1=CC(Cl)=C(Br)C=C1 97339 [0,1,0,0,0,0|2,0,0]=3 110 B12R1.367 CCC(=O)C1=CC(Cl)=C(C)C=C1 N14084 [0,1,0,0,0,0|2,0,0]=3 111 B12R1.367 CCC(=O)C1=CC(F)=C(Br)C=C1 N14051 [0,1,0,0,0,0|2,0,0]=3 112 B12R1.367 CCC(=O)C1=CC(F)=C(Cl)C=C1 N14046 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.367 COC(=O)C1=CC(Cl)=C(O)N=C1 AT11135 [0,1,0,0,0,0|1,0,0]=2 114 B12R1.367 COC(=O)C1=CC(N)=C(Br)C=N1 D74352 [0,1,0,0,0,0|2,0,0]=3 115 B12R1.367 COC(=O)C1=CC=C(O)C(I)=N1 96802 [0,1,0,0,0,0|1,0,0]=2 116 B12R1.367 COC(=O)C1=CN=C(Br)C(N)=N1 C77527 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.367 COC(=O)C1=CN=C(I)C(Br)=C1 89892 [0,1,0,0,0,0|2,0,0]=3 118 B12R1.367 COC(=O)C1=CN=C(N)C(I)=N1 P13454 [0,1,0,0,0,0|3,0,0]=4 119 B12R1.367 COC(=O)C1=CN=C(O)C(N)=C1 F30140 [0,1,0,0,0,0|1,0,0]=2 120 B12R1.367 COC(=O)C1=CNC(=O)C(C)=N1 F12724 [0,1,0,0,0,0|2,0,1]=4 121 B12R1.367 COC(=O)C1=NC(C)=C(C)N=C1 O11945 [0,1,0,0,0,0|3,0,0]=4 122 B12R1.367 COC(=O)C1=NC(C)=C(O)C=C1 E72133 [0,1,0,0,0,0|1,0,0]=2 123 B12R1.367 COC(=O)C1=NC(O)=C(C)C=C1 90208 [0,1,0,0,0,0|2,0,0]=3 124 B12R1.367 COC(=O)C1=NC=C(N)C(C)=C1 38815 [0,1,0,0,0,0|2,0,0]=3 125 B12R1.367 COC(=O)C1=NNC(=O)C(Br)=C1 C93106 [0,1,0,0,0,0|2,0,1]=4 126 B12R1.367 NCC(=O)C1=CC(F)=C(F)C=C1 D76781 [0,1,0,0,0,0|3,0,0]=4 127 B12R1.367 NCC(=O)C1=CC(O)=C(O)C=C1 A10825 [0,1,0,0,0,0|2,0,0]=3 128 B12R1.367 O=C(CBr)C1=CC(Cl)=C(Br)C=C1 C76866 [0,1,0,0,0,0|3,0,0]=4 129 B12R1.367 O=C(CBr)C1=CC(F)=C(Br)C=C1 80085 [0,1,0,0,0,0|3,0,0]=4 130 B12R1.367 O=C(CO)C1=CC(Br)=C(F)C=C1 AC4430 [0,1,0,0,0,0|3,0,0]=4 131 B12R1.367 O=C(CO)C1=CC(Cl)=C(Cl)C=C1 AC2976 [0,1,0,0,0,0|3,0,0]=4 132 B12R1.367 O=C(CO)C1=CC(Cl)=C(F)C=C1 AC4023 [0,1,0,0,0,0|3,0,0]=4 133 B12R1.367 O=C(CO)C1=CC(F)=C(F)C=C1 AC5616 [0,1,0,0,0,0|3,0,0]=4 134 B12R1.1703 CCC(=O)C1=C(Br)C=C(Br)C=C1 N14094 [0,1,0,0,0,0|2,0,0]=3 135 B12R1.1703 CCC(=O)C1=C(C)C=C(C)C=C1 N12084 [0,1,0,0,0,0|2,0,0]=3 136 B12R1.1703 CCC(=O)C1=C(C)C=C(O)C=C1 91379 [0,1,0,0,0,0|1,0,0]=2 137 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Br)C=C1 98264 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.1703 CCC(=O)C1=C(Cl)C=C(C)C=C1 N14082 [0,1,0,0,0,0|2,0,0]=3 139 B12R1.1703 CCC(=O)C1=C(F)C=C(C)C=C1 N14029 [0,1,0,0,0,0|2,0,0]=3 140 B12R1.1703 CCC(=O)C1=C(O)C=C(Cl)C=C1 98266 [0,1,0,0,0,0|2,0,0]=3 141 B12R1.1703 CNC(=O)C1=C(Cl)C=C(N)C=C1 92895 [0,1,0,0,0,0|2,0,0]=3 142 B12R1.1703 COC(=O)C1=C(C)OC(=O)C=C1 C16199 [0,1,0,0,0,0|1,0,1]=3 143 B12R1.1703 COC(=O)C1=C(Cl)N=C(Br)C=C1 D74278 [0,1,0,0,0,0|2,0,0]=3 144 B12R1.1703 COC(=O)C1=C(N)N=C(N)N=C1 F30784 [0,1,0,0,0,0|3,0,0]=4 145 B12R1.1703 COC(=O)C1=C(S)C=C(Cl)C=C1 AT20785 [0,1,0,0,0,0|1,0,0]=2 146 B12R1.1703 COC(=O)C1=CN=C(Br)C=C1Br F17566 [0,1,0,0,0,0|2,0,0]=3 147 B12R1.1703 C\C(=N/O)C1=C([Pd+])C=C(O)C=C1 T70903 [0,1,0,0,0,0|3,0,0]=4 148 B12R1.1703 O=C(CBr)C1=C(Br)C=C(Cl)C=C1 96292 [0,1,0,0,0,0|3,0,0]=4 149 B12R1.1703 O=C(CCl)C1=C(O)C=C(F)C=C1 AC4164 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.1703 O=C(CO)C1=C(Cl)C=C(Br)C=C1 AC4519 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.1703 O=C(CO)C1=C(F)C=C(Br)C=C1 AC4523 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.1703 O=C(CO)C1=C(F)C=C(F)C=C1 AC4317 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.1703 O=C(NO)C1=C(Br)C=C(Cl)C=C1 96293 [0,1,0,0,0,0|3,0,0]=4 154 B12R1.1703 O=CC(=O)C1=C(F)C=C(F)C=C1 75347 [0,1,0,0,0,0|3,0,0]=4 155 B12R2.612 CC1=CC2=C(C=C1)C(=O)NC2 F21430 [0,0,0,1,0,0|2,0,0]=3 156 B12R2.612 O=C1CCC2=C1C=CC(Cl)=N2 94539 [0,0,0,1,0,0|3,0,0]=4 157 B12R2.612 O=C1CCC2=C1C=CC(S)=C2 79915 [0,0,0,1,0,0|1,1,0]=3 158 B12R2.612 O=C1N=CC2=C1C=CC(F)=C2 W17708 [0,0,0,1,0,0|2,0,1]=4 159 B12R2.612 O=C1ONC2=C1C=CC(Br)=C2 D78660 [0,0,0,1,0,0|2,0,0]=3 160 B10R1.14 CCC(=O)C1=CC=C(Br)O1 N14292 [0,0,0,0,1,0|3,0,0]=4 161 B10R1.14 CNC(=O)C1=CC=C(N)S1 92880 [0,0,0,0,1,0|3,0,0]=4 162 B10R1.14 COC(=O)C1=CC(N)=NO1 D78675 [0,0,0,0,1,0|3,0,0]=4 163 B10R1.14 COC(=O)C1=CC=C(F)S1 D87046 [0,0,0,0,1,0|2,0,0]=3 164 B10R1.14 COC(=O)C1=CN=C(S)S1 SC1359 [0,0,0,0,1,0|2,1,0]=4 165 B10R1.14 COC(=O)C1=CNC(=S)N1 S11050 [0,0,0,0,1,0|2,1,0]=4 166 B10R1.14 COC(=O)C1=CNC(C)=C1 AT21660 [0,0,0,0,1,0|2,0,0]=3 167 B10R1.14 COC(=O)C1=CNC(Cl)=C1 AC6843 [0,0,0,0,1,0|2,0,0]=3 168 B10R1.14 COC(=O)C1=COC(I)=N1 O11880 [0,0,0,0,1,0|3,0,0]=4 169 B10R1.14 COC(=O)C1=CSC(I)=C1 74713 [0,0,0,0,1,0|2,0,0]=3 170 B12R1.49 C=CC(=O)NC1=CC=C(C)C=C1 N11698 [0,0,0,0,0,1|2,0,1]=4 171 B12R1.49 CCC(=O)CC1=CC=C(Cl)C=C1 N12627 [0,0,0,0,0,1|2,0,0]=3 172 B12R1.49 CCC(=O)CC1=CC=C(I)C=C1 85181 [0,0,0,0,0,1|2,0,0]=3 173 B12R1.49 COC(=O)CC1=CN=C(N)C=C1 D71900 [0,0,0,0,0,1|2,0,0]=3 174 B12R1.49 COC(=O)CC1=NC=C(C)N=C1 C91525 [0,0,0,0,0,1|3,0,0]=4 175 B12R1.49 COC(=O)CC1=NC=C(Cl)C=C1 93630 [0,0,0,0,0,1|2,0,0]=3 176 B12R1.49 N#CC(=O)CC1=CC=C(Cl)C=C1 83342 [0,0,0,0,0,1|3,0,0]=4 177 B12R1.49 NCC(=O)CC1=CC=C(F)C=C1 D87535 [0,0,0,0,0,1|3,0,0]=4 178 B12R1.49 NCC(=O)NC1=CC=C(F)C=C1 F21123 [0,0,0,0,0,1|3,0,0]=4 179 B12R1.49 NNC(=O)NC1=CC=C(Br)C=C1 W12874 [0,0,0,0,0,1|3,0,0]=4 180 B12R1.49 O=C(CBr)NC1=CC=C(F)C=C1 C78062 [0,0,0,0,0,1|3,0,0]=4 181 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.1 COC1=CN=C(I)C=C1 F17075 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [2,0,0,0,0,0|1,1,0]=4 184 B9R1.8 CNNC1=CC=CC=C1 C77159 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.6 O=C(Cl)C1=CC=NC=C1 D78267 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.6 O=C([O-])C1=NC=CC=C1 T71798 [2,0,0,0,0,0|1,0,1]=4 187 B9R1.6 O=[13C](O)C1=CC=CC=C1 F13987 [2,0,0,0,0,0|0,0,0]=2 188 B9R1.6 [2H]C(=C)C1=CC=CC=C1 D97969 [2,0,0,0,0,0|1,0,1]=4 189 B11R1.1 COCCC1=CC=C(Br)C=C1 28244 [1,1,0,0,0,0|1,0,1]=4 190 B11R1.1 COCCC1=CC=C(N)C=C1 F11764 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.1 CONCC1=CC=C(Br)C=C1 N11596 [1,1,0,0,0,0|1,0,1]=4 192 B11R1.1 ClC1=CC=C(\C=C\CBr)C=C1 72674 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 AT26502 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 85180 [1,1,0,0,0,0|1,0,1]=4 195 B11R1.81 COCC1=C(Cl)C=C(Br)C=C1 N11614 [1,1,0,0,0,0|1,0,1]=4 196 B11R1.81 O\N=C\C1=C(O)C=C(O)C=C1 S11928 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.192 CCOC1=CC(F)=C(O)C=C1 94989 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 D87575 [1,1,0,0,0,0|1,0,0]=3 199 B11R1.3 CCC1=NC=C(C(C)=O)C=C1 P12273 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.3 CNC1=CN=C(C(=O)O)C=C1 AT13629 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.3 COC1=CN=C(C(C)=O)C=C1 P10973 [1,1,0,0,0,0|1,0,0]=3 202 B11R1.3 COC1=CN=C(C(N)=O)C=C1 D74451 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.3 N#[N+]C1=CC=C(C(=O)O)C=C1 A11547 [1,1,0,0,0,0|1,0,0]=3 204 B11R1.3 NNC1=CC=C(C(N)=O)C=C1 10001 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.3 O=CC1=CN=C(C(=O)O)C=C1 N13056 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.3 [2H]C(=O)C1=CC=C(OC)C=C1 D98577 [1,1,0,0,0,0|1,0,0]=3 207 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 95895 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 AT17933 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 C14784 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 F52062 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 FD1163 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 O10169 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W10983 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13714 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13756 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15718 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15764 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15884 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15911 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W16530 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W16531 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.19 CP(C)(=O)C1=CC=C(F)C=C1 AT21937 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 D77062 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.19 C[S@](=N)(=O)C1=CC=C(Br)C=C1 W13286 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.19 C[S@](=N)(=O)C1=CC=C(Cl)C=C1 AT11346 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.19 C[S@](=N)(=O)C1=CC=C(F)C=C1 W16235 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.19 C[Si](C)(C)C1=CC=C(O)C=C1 D76703 [1,1,0,0,0,0|1,1,0]=4 228 B11R1.19 NC1=CC=C(P(=O)(O)O)C=C1 D88549 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.19 O=S(=O)(O)C1=CC=C(Br)C=C1 C16387 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.19 O=S(=O)(O)C1=CC=C(Br)C=C1 N11848 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.19 O=S(=O)(O)C1=CC=C(F)C=C1 AC3124 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 69909 [1,1,0,0,0,0|0,0,0]=2 233 B11R1.21 CC1=C(O)C=CC(C(=O)O)=N1 E71908 [1,1,0,0,0,0|1,0,0]=3 234 B11R1.21 CC1=C(O)C=CC([C@H](C)N)=C1 N14776 [1,1,0,0,0,0|1,0,1]=4 235 B11R1.21 NC(=O)C1=CC(F)=C(O)C=C1 D96313 [1,1,0,0,0,0|1,0,0]=3 236 B11R1.21 NC(=O)C1=CC(N)=C(O)C=C1 D87298 [1,1,0,0,0,0|1,0,0]=3 237 B11R1.21 NC(=O)C1=CC(O)=C(I)C=C1 D77904 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.21 NC1=C(Cl)C=NC(C(=O)O)=C1 AT24933 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.21 O=C(Cl)C1=CC(F)=C(Br)C=C1 76037 [1,1,0,0,0,0|2,0,0]=4 240 B11R1.21 O=C(O)C1=CC(I)=C(O)N=C1 AC6008 [1,1,0,0,0,0|1,0,0]=3 241 B11R1.21 O=C(O)C1=CN=C(Br)C(Cl)=C1 AT10807 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.21 O=C(O)C1=CN=C(Br)C(O)=C1 AT21523 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.21 O=C(O)C1=NC(O)=C(F)C=C1 F51217 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.166 CC(=O)C1=C(Br)C=C(Cl)C=N1 BL010230 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=N1 D79871 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.166 CC(=O)C1=C(Cl)C=C(C)C=C1 AT15339 [1,1,0,0,0,0|1,0,0]=3 247 B11R1.166 CC(=O)C1=C(O)C=C(I)C=C1 62926 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.166 CC(=O)C1=CN=C(Br)C=C1C D80175 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.166 CC(=O)C1=NC=C(Br)C=C1F 83702 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 F13688 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.166 CC1=CC(F)=C(C(=O)O)C=N1 N17088 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.166 CC1=CC(F)=CN=C1C(=O)O 55148 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.166 CC1=CC(N)=C(C(=O)O)C=N1 25712 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.166 CC1=CC=C(C(=O)O)C(Br)=N1 N12689 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.166 N=C(N)C1=C(F)C=C(O)C=C1 D87625 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.166 NC(=O)C1=C(O)C=C(O)N=C1 F12454 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.166 NC1=C(C(=O)O)C=NC(O)=C1 35476 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O 37099 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.166 NC1=CC(Cl)=C(C(=O)O)N=C1 BL010122 [1,1,0,0,0,0|2,0,0]=4 260 B11R1.166 NC1=CC(I)=C(C(=O)O)C=C1 D87628 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.166 NC1=NC(N)=C(C(=O)O)C=C1 AC4722 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.166 O=C(Cl)C1=C(Br)C=C(F)C=C1 F17471 [1,1,0,0,0,0|2,0,0]=4 263 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=N1 BL010139 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.166 O=C(O)C1=C(S)C=C(Br)C=C1 AT20781 [1,1,0,0,0,0|1,0,0]=3 265 B11R1.166 O=C(O)C1=C(S)C=C(F)C=C1 AT20779 [1,1,0,0,0,0|1,0,0]=3 266 B11R1.166 O=C(O)C1=NN=C(O)C=C1O W15300 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.16 CCOC(=N)C1=NC=CC=C1 F18164 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.16 COC[C@H](N)C1=CC=CC=C1 AC6537 [1,1,0,0,0,0|1,0,1]=4 269 B11R1.16 [N-]=[N+]=CC(=O)C1=CC=CC=C1 AT25592 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.23 CC1=CC=CC(C(=O)CO)=C1 AC3231 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.23 CCC(=O)C1=CC(Br)=CN=C1 N14270 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.23 CCC(=O)C1=CC(Cl)=NC=C1 N13049 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 34175 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.23 CNC(=O)C1=NC=CC(O)=C1 N13116 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.23 COC(=O)C1=CC(I)=NN=C1 C92378 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.23 COC(=O)C1=CC(N)=NC=C1 W17825 [1,1,0,0,0,0|1,0,0]=3 277 B11R1.23 COC(=O)C1=CC(S)=NC=C1 F18003 [1,1,0,0,0,0|1,0,0]=3 278 B11R1.23 COC(=O)C1=CC=CC(I)=N1 C16472 [1,1,0,0,0,0|1,0,0]=3 279 B11R1.23 COC(=O)C1=CN=CC(=O)N1 72441 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.23 COC(=O)C1=NC=CC(O)=C1 AC3417 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.23 NCC(=O)C1=CC(O)=CC=C1 C77908 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.23 O=C(CO)C1=CC=CC(Br)=C1 AC6088 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.23 O=C(CO)C1=CC=CC(F)=C1 AC5675 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.23 O=CC(=O)C1=CC=CC(Cl)=C1 AB10250 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.36 C=C(C1=CC=CC=C1)C(C)C W11468 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.36 CC(C)C(=O)C1=CC=NC=C1 N12821 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 F13376 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.222 CC1=C(C(=O)CO)C=CC=C1 AC4310 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.222 CCC(=O)C1=C(Br)C=CC=C1 72058 [1,1,0,0,0,0|1,0,0]=3 290 B11R1.222 CCC(=O)C1=C(Br)C=NC=C1 N14286 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.222 CCC(=O)C1=C(Cl)C=CN=C1 N14267 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.222 CCC(=O)C1=C(F)C=CC=N1 N14248 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.222 CCC(=O)C1=C(F)C=NC=C1 N14283 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.222 CCC(=O)C1=CC=CN=C1Br N14264 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.222 CCC(=O)C1=CC=CN=C1Cl N14262 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.222 CCC(=O)C1=CC=CN=C1F N14261 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.222 CCC(=O)C1=NC=CC=C1C N12289 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.222 CNC(=O)C1=C(I)C=CC=C1 E72599 [1,1,0,0,0,0|1,0,0]=3 299 B11R1.222 CNC(=O)C1=NC=CC=C1O C71661 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.222 COC(=N)C1=C(Br)C=CC=C1 AC5256 [1,1,0,0,0,0|1,0,0]=3 301 B11R1.222 COC(=O)C1=C(C)C=NC=C1 CS1425 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.222 COC(=O)C1=C(Cl)C=NC=N1 67177 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.222 COC(=O)C1=CN=CN=C1Cl 31492 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.222 COC(=O)C1=NC=NC=C1C F53212 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.222 NC1=C(C(=O)CCl)C=CC=C1 72272 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 W17616 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.222 O=C(CCl)C1=C(Cl)C=CC=C1 D71120 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.222 O=C(CO)C1=C(Br)C=CC=C1 AC7495 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.222 O=C(CO)C1=C(F)C=CC=C1 AC5617 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.222 O=C(CO)C1=C(I)C=CC=C1 AC7053 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.15 CCOC(=O)C1=CC(Cl)=CN1 68050 [0,1,0,0,1,0|2,0,0]=4 312 B11R1.15 CCOC(=O)C1=CC(I)=CN1 86090 [0,1,0,0,1,0|2,0,0]=4 313 B11R1.44 COC(=O)C1=CC(C#N)=CN1 94935 [0,1,0,0,1,0|2,0,0]=4 314 B11R1.44 COC(=O)C1=CC(CBr)=CS1 C15971 [0,1,0,0,1,0|2,0,0]=4 315 B11R1.44 COC(=O)C1=CC=C(CBr)S1 94428 [0,1,0,0,1,0|2,0,0]=4 316 B11R1.44 COC(=O)C1=CC=C(CN)S1 C90538 [0,1,0,0,1,0|2,0,0]=4 317 B11R1.44 COC(=O)C1=CC=C(CO)N1 D76272 [0,1,0,0,1,0|1,0,0]=3 318 B11R1.44 COC(=O)C1=CC=C(CO)O1 AT17170 [0,1,0,0,1,0|1,0,0]=3 319 B11R1.44 COC(=O)C1=CNC(C=O)=C1 D85282 [0,1,0,0,1,0|1,0,1]=4 320 B11R1.44 COC(=O)C1=COC(C=O)=C1 AT20020 [0,1,0,0,1,0|1,0,1]=4 321 B11R1.44 COC(=O)C1=COC(CCl)=C1 AT17456 [0,1,0,0,1,0|2,0,0]=4 322 B11R1.225 COC(=O)C1=CC(Br)=CN1N AT10794 [0,1,0,0,1,0|2,0,0]=4 323 B11R1.226 COC(=O)C1=CC(Br)=C(Br)S1 I10064 [0,1,0,0,1,0|2,0,0]=4 324 B11R1.226 COC(=O)C1=CC(Br)=C(Cl)N1 AC8289 [0,1,0,0,1,0|2,0,0]=4 325 B11R1.226 COC(=O)C1=CC(C)=C(C)N1 F30543 [0,1,0,0,1,0|2,0,0]=4 326 B11R1.226 COC(=O)C1=CC(Cl)=C(Cl)N1 72393 [0,1,0,0,1,0|2,0,0]=4 327 B11R1.226 COC(=O)C1=CC(N)=C(C)S1 S11695 [0,1,0,0,1,0|2,0,0]=4 328 B11R1.226 COC(=O)C1=CC(N)=C(Cl)S1 24651 [0,1,0,0,1,0|2,0,0]=4 329 B11R1.226 COC(=O)C1=CC(N)=C(N)S1 FD10494 [0,1,0,0,1,0|2,0,0]=4 330 B11R1.226 COC(=O)C1=CN(C)C(Br)=C1 C91431 [0,1,0,0,1,0|2,0,0]=4 331 B11R1.865 COC(=O)C1=C(C)C(Br)=CN1 O11932 [0,1,0,0,1,0|2,0,0]=4 332 B11R1.865 COC(=O)C1=C(C)C(C)=CN1 O11895 [0,1,0,0,1,0|2,0,0]=4 333 B11R1.865 COC(=O)C1=CC=C(N)N1C F18362 [0,1,0,0,1,0|2,0,0]=4 334 B13R1.5 C=CC1=CC=C(CC(=O)OC)C=C1 AC6495 [0,1,0,0,0,1|1,0,0]=3 335 B13R1.5 COC(=O)CC1=CC=C(CCl)C=C1 A50735 [0,1,0,0,0,1|1,0,0]=3 336 B13R1.19 CCCC(=O)CC1=CC=C(Br)C=C1 N14161 [0,1,0,0,0,1|2,0,0]=4 337 B13R1.19 CCCC(=O)CC1=CC=C(C)C=C1 N14169 [0,1,0,0,0,1|2,0,0]=4 338 B13R1.19 CCCC(=O)CC1=CC=C(Cl)C=C1 N14153 [0,1,0,0,0,1|2,0,0]=4 339 B13R1.19 CCCC(=O)CC1=CC=C(F)C=C1 N14143 [0,1,0,0,0,1|2,0,0]=4 340 B13R1.19 CCOC(=O)C[N+]1=CC=C(N)C=C1 D85768 [0,1,0,0,0,1|2,0,0]=4 341 B13R1.19 NCCC(=O)NC1=CC=C(F)C=C1 F21222 [0,1,0,0,0,1|2,0,0]=4 342 B13R1.21 COC(=O)[C@H](Br)C1=CC=C(Br)C=C1 F16838 [0,1,0,0,0,1|1,0,0]=3 343 B13R1.21 COC(=O)[C@H](C)C1=CC=C(Br)C=C1 D75716 [0,1,0,0,0,1|1,0,0]=3 344 B13R1.21 COC(=O)[C@H](C)C1=CC=C(Cl)C=C1 93622 [0,1,0,0,0,1|1,0,0]=3 345 B13R1.21 COC(=O)[C@H](C)C1=CC=C(O)C=C1 AC3345 [0,1,0,0,0,1|0,0,0]=2 346 B13R1.21 COC(=O)[C@H](C)C1=NC=C(Cl)C=C1 93631 [0,1,0,0,0,1|2,0,0]=4 347 B13R1.21 COC(=O)[C@H](N)C1=CC=C(Br)C=C1 A12033 [0,1,0,0,0,1|1,0,0]=3 348 B13R1.21 COC(=O)[C@H](N)C1=CC=C(Br)C=C1 I11875 [0,1,0,0,0,1|1,0,0]=3 349 B13R1.21 COC(=O)[C@H](N)C1=CC=C(Br)C=C1 I11878 [0,1,0,0,0,1|1,0,0]=3 350 B13R1.21 COC(=O)[C@H](N)C1=CC=C(C)C=C1 C77613 [0,1,0,0,0,1|1,0,0]=3 351 B13R1.21 COC(=O)[C@H](N)C1=CC=C(C)C=C1 N12612 [0,1,0,0,0,1|1,0,0]=3 352 B13R1.21 COC(=O)[C@H](N)C1=CC=C(Cl)C=C1 N11193 [0,1,0,0,0,1|1,0,0]=3 353 B13R1.21 COC(=O)[C@H](N)C1=CC=C(Cl)C=C1 N14957 [0,1,0,0,0,1|1,0,0]=3 354 B13R1.21 COC(=O)[C@H](N)C1=CC=C(F)C=C1 N12613 [0,1,0,0,0,1|1,0,0]=3 355 B13R1.21 COC(=O)[C@H](N)C1=CC=C(F)C=C1 W10602 [0,1,0,0,0,1|1,0,0]=3 356 B13R1.133 CC(C)C(=O)CC1=CC=C(Br)C=C1 N12783 [0,1,0,0,0,1|2,0,0]=4 357 B13R1.133 CC(C)C(=O)CC1=CC=C(Cl)C=C1 N12699 [0,1,0,0,0,1|2,0,0]=4 358 B13R1.133 CC1=CC=C(CC(=O)C(C)C)C=C1 N12878 [0,1,0,0,0,1|2,0,0]=4 359 B13R1.2679 CCC(=O)CC1=C(Cl)C=C(Cl)C=C1 N12604 [0,1,0,0,0,1|2,0,0]=4 360 B13R1.2679 CCC(=O)CC1=C(F)C=C(F)C=C1 N14562 [0,1,0,0,0,1|2,0,0]=4 361 B13R1.2679 CCC(=O)OC1=C(Cl)C=C(Br)C=C1 22825 [0,1,0,0,0,1|2,0,0]=4 362 B13R1.2679 COC(=O)CC1=C(Br)C=C(Br)C=N1 P20745 [0,1,0,0,0,1|2,0,0]=4 363 B13R1.2679 COC(=O)CC1=C(Br)C=C(C)C=C1 D88154 [0,1,0,0,0,1|1,0,0]=3 364 B13R1.2679 COC(=O)CN1C=CC(Br)=CC1=O AT19271 [0,1,0,0,0,1|2,0,0]=4 365 B13R1.2879 CCC(=O)NC1=CC(Cl)=C(Cl)C=C1 A12785 [0,1,0,0,0,1|2,0,0]=4 366 B13R1.2879 COC(=O)CC1=CC(Br)=C(N)C=C1 AT20913 [0,1,0,0,0,1|1,0,0]=3 367 B13R1.2879 COC(=O)CC1=CC(C)=C(Br)C=C1 D87560 [0,1,0,0,0,1|1,0,0]=3 368 B13R1.2879 COC(=O)CC1=CC(Cl)=C(Br)C=C1 93734 [0,1,0,0,0,1|1,0,0]=3 369 B13R1.2879 COC(=O)CC1=CC(F)=C(Br)C=C1 93739 [0,1,0,0,0,1|1,0,0]=3 370 B13R1.36 C=C(C)C(=O)C1=CC=C(CC)C=C1 AC9609 [0,2,0,0,0,0|2,0,0]=4 371 B13R1.36 COC1=CC=C(C(=O)C(F)F)C=C1 55169 [0,2,0,0,0,0|2,0,0]=4 372 B13R1.36 COC1=CC=C(C(=O)[C@H](C)Br)C=C1 I11749 [0,2,0,0,0,0|1,0,0]=3 373 B13R1.95 COC(=O)C1=C(F)C=C(OC)N=C1 97684 [0,2,0,0,0,0|1,0,0]=3 374 B13R1.95 COC(=O)C1=NC=C(OC)N=C1N 55144 [0,2,0,0,0,0|2,0,0]=4 375 B13R1.95 COC1=CC(Cl)=C(C(=O)CO)C=C1 AC4001 [0,2,0,0,0,0|2,0,0]=4 376 B13R1.139 CCOC1=CC=C(C(=O)CO)C=C1 AC7211 [0,2,0,0,0,0|2,0,0]=4 377 B13R1.139 COC(=O)C1=CC=C(NC=O)C=C1 AB10019 [0,2,0,0,0,0|0,0,1]=3 378 B13R1.452 CCCC(=O)C1=CC=C(C#N)C=C1 35254 [0,2,0,0,0,0|2,0,0]=4 379 B13R1.452 CCCC(=O)C1=CC=C(CC)C=C1 N13980 [0,2,0,0,0,0|2,0,0]=4 380 B13R1.452 CCOC(=O)C1=CN=C(NC)C=C1 D87058 [0,2,0,0,0,0|2,0,0]=4 381 B13R1.537 CCC(=O)C1=CC=C(N(C)C)C=C1 97342 [0,2,0,0,0,0|2,0,0]=4 382 B13R1.537 CCC(=O)C1=CC=C([N+](=O)[O-])C=C1 C90296 [0,2,0,0,0,0|1,0,1]=4 383 B13R1.537 COC(=O)C1=CC=C(C(F)F)C=C1 A12531 [0,2,0,0,0,0|1,0,0]=3 384 B13R1.537 COC(=O)C1=CN=C(C(N)=O)C=C1 AB10288 [0,2,0,0,0,0|1,0,1]=4 385 B13R1.537 O=C(CBr)C1=CC=C(B(O)O)C=C1 C15847 [0,2,0,0,0,0|2,0,0]=4 386 B13R1.537 O=CC(=O)C1=CC=C(C(=O)O)C=C1 C15252 [0,2,0,0,0,0|2,0,0]=4 387 B13R1.3088 CCC(=O)C1=CC(Cl)=C(OC)C=C1 N14088 [0,2,0,0,0,0|1,0,0]=3 388 B13R1.3088 CCC1=C(Br)C=C(C(=O)OC)C=C1 I11917 [0,2,0,0,0,0|1,0,0]=3 389 B13R1.3088 CCN1C=CC(C(=O)OC)=CC1=O P14876 [0,2,0,0,0,0|2,0,0]=4 390 B13R1.3088 CNC1=NC=C(C(=O)OC)C=C1N 91426 [0,2,0,0,0,0|2,0,0]=4 391 B13R1.3088 COC(=O)C1=CC(Br)=C(CN)C=C1 D88082 [0,2,0,0,0,0|1,0,0]=3 392 B13R1.3088 COC(=O)C1=CC(N)=C(C#N)C=C1 CL9387 [0,2,0,0,0,0|1,0,0]=3 393 B13R1.3088 COC(=O)C1=CC(N)=C(CN)C=C1 W16982 [0,2,0,0,0,0|1,0,0]=3 394 B13R1.3088 COC(=O)C1=CC(O)=C(CO)C=C1 D75731 [0,2,0,0,0,0|0,0,0]=2 395 B13R1.3088 COC(=O)C1=CN=C(C#N)C(O)=C1 57121 [0,2,0,0,0,0|2,0,0]=4 396 B13R1.17 NCCNC(=O)C1=CC=C(Cl)C=C1 F21193 [0,2,0,0,0,0|2,0,0]=4 397 B13R1.17 O=C(CCCI)C1=CC=C(F)C=C1 AC9670 [0,2,0,0,0,0|2,0,0]=4 398 B13R1.17 O=C(NCCO)C1=CC=C(Cl)C=C1 V10301 [0,2,0,0,0,0|2,0,0]=4 399 B13R1.466 CCCC(=O)C1=CC(Cl)=C(C)C=C1 N14085 [0,2,0,0,0,0|2,0,0]=4 400 B13R1.466 CCCC(=O)C1=CC(Cl)=C(Cl)C=C1 N12526 [0,2,0,0,0,0|2,0,0]=4 401 B13R1.466 CCCC(=O)C1=CC(F)=C(C)C=C1 N14055 [0,2,0,0,0,0|2,0,0]=4 402 B13R1.466 CCCC(=O)C1=CC(F)=C(Cl)C=C1 N14047 [0,2,0,0,0,0|2,0,0]=4 403 B13R1.466 CCCC(=O)C1=CC(F)=C(F)C=C1 N14044 [0,2,0,0,0,0|2,0,0]=4 404 B13R1.466 CCOC(=O)C1=CC(Br)=C(Cl)N=C1 F14093 [0,2,0,0,0,0|2,0,0]=4 405 B13R1.466 CCOC(=O)C1=CC(Cl)=C(C)C=C1 N12252 [0,2,0,0,0,0|1,0,0]=3 406 B13R1.466 CCOC(=O)C1=CC(Cl)=C(C)N=C1 93015 [0,2,0,0,0,0|2,0,0]=4 407 B13R1.466 CCOC(=O)C1=CC(Cl)=C(N)N=C1 AT11637 [0,2,0,0,0,0|2,0,0]=4 408 B13R1.466 CCOC(=O)C1=CC(Cl)=C(O)C=C1 AB10345 [0,2,0,0,0,0|0,0,0]=2 409 B13R1.466 CCOC(=O)C1=CC(I)=C(C)C=C1 I11573 [0,2,0,0,0,0|1,0,0]=3 410 B13R1.466 CCOC(=O)C1=CC(I)=C(C)N=C1 93016 [0,2,0,0,0,0|2,0,0]=4 411 B13R1.466 CCOC(=O)C1=CC(N)=C(F)C=N1 AC2316 [0,2,0,0,0,0|2,0,0]=4 412 B13R1.466 CCOC(=O)C1=CC=C(F)C(Br)=N1 54871 [0,2,0,0,0,0|2,0,0]=4 413 B13R1.466 CCOC(=O)C1=CN=C(Br)C(Br)=C1 I11894 [0,2,0,0,0,0|2,0,0]=4 414 B13R1.466 CCOC(=O)C1=NC(C)=C(Br)C=C1 C14190 [0,2,0,0,0,0|2,0,0]=4 415 B13R1.1511 CCCC(=O)C1=C(C)C=C(C)C=C1 N14101 [0,2,0,0,0,0|2,0,0]=4 416 B13R1.1511 CCCC(=O)C1=C(F)C=C(Br)C=C1 N12188 [0,2,0,0,0,0|2,0,0]=4 417 B13R1.1511 CCCC(=O)C1=C(F)C=C(Cl)C=C1 N14024 [0,2,0,0,0,0|2,0,0]=4 418 B13R1.1511 CCCC(=O)C1=C(F)C=C(F)C=C1 N14021 [0,2,0,0,0,0|2,0,0]=4 419 B13R1.1511 CCOC(=O)C1=C(C)N=C(O)C=C1 79921 [0,2,0,0,0,0|1,0,0]=3 420 B13R1.1511 CCOC(=O)C1=C(Cl)C=C(I)C=C1 D75552 [0,2,0,0,0,0|1,0,0]=3 421 B13R1.1511 CCOC(=O)C1=C(Cl)C=C(O)C=N1 97694 [0,2,0,0,0,0|1,0,0]=3 422 B13R1.1511 CCOC(=O)C1=C(F)C=C(F)C=N1 68837 [0,2,0,0,0,0|2,0,0]=4 423 B13R1.1511 CCOC(=O)C1=CN=C(Cl)C=C1C AT10580 [0,2,0,0,0,0|2,0,0]=4 424 B13R1.163 CC(C)C(=O)C1=C(Cl)C=C(Cl)C=C1 N14079 [0,2,0,0,0,0|2,0,0]=4 425 B13R1.163 CC(C)C(=O)C1=C(F)C=C(Cl)C=C1 N12999 [0,2,0,0,0,0|2,0,0]=4 426 B13R1.163 CC(C)C(=O)C1=C(F)C=C(F)C=C1 N12697 [0,2,0,0,0,0|2,0,0]=4 427 B13R1.163 CC(C)C(=O)C1=C(F)C=C(O)C=C1 75540 [0,2,0,0,0,0|1,0,0]=3 428 B13R1.163 CC1=C(C(=O)C(C)C)C=CC(O)=C1 91445 [0,2,0,0,0,0|1,0,0]=3 429 B13R1.163 CC1=CC(C)=C(C(=O)C(C)C)C=C1 N14103 [0,2,0,0,0,0|2,0,0]=4 430 B13R1.510 CC(C)C(=O)C1=CC(F)=C(Cl)C=C1 N14049 [0,2,0,0,0,0|2,0,0]=4 431 B13R1.510 CC(C)C(=O)C1=CC(F)=C(F)C=C1 N12601 [0,2,0,0,0,0|2,0,0]=4 432 B13R1.510 CC1=C(Br)C=CC(C(=O)N(C)C)=C1 D85778 [0,2,0,0,0,0|2,0,0]=4 433 B13R1.510 CC1=C(C)C=C(C(=O)[C@H](C)Br)C=C1 C11138 [0,2,0,0,0,0|2,0,0]=4 434 B13R1.510 CC1=C(Cl)C=C(C(=O)C(C)C)C=C1 N14087 [0,2,0,0,0,0|2,0,0]=4 435 B13R1.510 CC1=C(F)C=C(C(=O)C(C)C)C=C1 N14057 [0,2,0,0,0,0|2,0,0]=4 436 B13R1.510 CN(C)C(=O)C1=CC(Cl)=C(Br)C=C1 C91414 [0,2,0,0,0,0|2,0,0]=4 437 B13R1.49 CCC1=C(O)C=CC(C(=O)OC)=C1 71709 [0,2,0,0,0,0|0,0,0]=2 438 B13R1.49 COC(=O)C1=CC(C=O)=C(C)C=C1 CL9398 [0,2,0,0,0,0|1,0,0]=3 439 B13R1.49 COC(=O)C1=CC(CCl)=C(Cl)C=C1 76651 [0,2,0,0,0,0|1,0,0]=3 440 B13R1.49 COC(=O)C1=CC(CN)=C(C)C=C1 E72339 [0,2,0,0,0,0|1,0,0]=3 441 B13R1.49 COC(=O)C1=CN=C(Cl)C(C=O)=C1 D75337 [0,2,0,0,0,0|2,0,0]=4 442 B13R1.49 COC(=O)C1=CNC(=O)C(C#N)=C1 82670 [0,2,0,0,0,0|1,0,1]=4 443 B13R1.49 COC(=O)C1=NC(OC)=C(C)C=C1 81832 [0,2,0,0,0,0|2,0,0]=4 444 B13R1.1807 CNC(=O)C1=CC(F)=C(Cl)C=C1F 68933 [0,2,0,0,0,0|2,0,0]=4 445 B13R1.1807 CNC(=O)C1=CC(F)=C(F)C=C1F C77799 [0,2,0,0,0,0|2,0,0]=4 446 B13R1.1807 COC(=O)C1=C(Br)C=C(C)C(Br)=C1 E10200 [0,2,0,0,0,0|1,0,0]=3 447 B13R1.1807 COC(=O)C1=C(Br)C=C(C)C(O)=C1 95529 [0,2,0,0,0,0|1,0,0]=3 448 B13R1.1807 COC(=O)C1=C(F)C=C(N)C(N)=C1 W19189 [0,2,0,0,0,0|1,0,0]=3 449 B13R1.1807 COC(=O)C1=C(I)C=C(F)C(F)=C1 C90847 [0,2,0,0,0,0|1,0,0]=3 450 B13R1.1807 COC(=O)C1=CC(Br)=C(O)C=C1F AT11218 [0,2,0,0,0,0|0,0,0]=2 451 B13R1.1807 COC(=O)C1=CC(Br)=C(O)C=C1F C90681 [0,2,0,0,0,0|0,0,0]=2 452 B13R1.1807 COC(=O)C1=CC(C)=C(Cl)N=C1Cl AT20296 [0,2,0,0,0,0|2,0,0]=4 453 B13R1.1807 COC(=O)C1=CC(Cl)=C(Br)C=C1F AT21950 [0,2,0,0,0,0|1,0,0]=3 454 B13R1.1807 COC(=O)C1=CC(Cl)=C(C)C=C1O AT11635 [0,2,0,0,0,0|1,0,0]=3 455 B13R1.1807 COC(=O)C1=CC(Cl)=C(C)N=C1O 82668 [0,2,0,0,0,0|2,0,0]=4 456 B13R1.1807 COC(=O)C1=CC(I)=C(C)C=C1O AT20704 [0,2,0,0,0,0|1,0,0]=3 457 B13R1.1807 COC(=O)C1=CC(I)=C(F)C=C1C AT25996 [0,2,0,0,0,0|1,0,0]=3 458 B13R1.1807 COC(=O)C1=CC(O)=C(F)C=C1N 84743 [0,2,0,0,0,0|1,0,0]=3 459 B13R1.1807 COC(=O)C1=CN(C)C(=O)C=C1O AT13798 [0,2,0,0,0,0|1,0,1]=4 460 B13R1.1808 COC(=O)C1=C(C)C(N)=C(F)C=C1 AT14744 [0,2,0,0,0,0|1,0,0]=3 461 B13R1.1808 COC(=O)C1=C(C)C(O)=C(C)C=C1 CL9618 [0,2,0,0,0,0|1,0,0]=3 462 B13R1.1808 COC(=O)C1=C(F)C(F)=C(Cl)C=C1 22773 [0,2,0,0,0,0|1,0,0]=3 463 B13R1.1808 COC(=O)C1=C(F)C(O)=C(Br)C=C1 AT11224 [0,2,0,0,0,0|1,0,0]=3 464 B13R1.1808 COC(=O)C1=C(N)C(C)=C(Br)C=C1 AT23490 [0,2,0,0,0,0|1,0,0]=3 465 B13R1.1808 COC(=O)C1=C(N)C(C)=C(F)C=C1 AT14738 [0,2,0,0,0,0|1,0,0]=3 466 B13R1.1808 COC(=O)C1=C(O)C(F)=C(Br)C=C1 AT11220 [0,2,0,0,0,0|1,0,0]=3 467 B13R1.1808 COC(=O)C1=CC=C(C)C(Cl)=C1Cl D96202 [0,2,0,0,0,0|1,0,0]=3 468 B13R1.1808 COC(=O)C1=CC=C(C)C(F)=C1N 97754 [0,2,0,0,0,0|1,0,0]=3 469 B13R1.1808 COC(=O)C1=CC=C(Cl)C(Br)=C1Cl O11903 [0,2,0,0,0,0|1,0,0]=3 470 B13R1.1808 COC(=O)C1=CC=C(F)C(Cl)=C1F N12165 [0,2,0,0,0,0|1,0,0]=3 471 B13R1.1808 COC(=O)C1=CC=C(F)C(F)=C1Br C90826 [0,2,0,0,0,0|1,0,0]=3 472 B13R1.1808 COC(=O)C1=CC=C(F)C(O)=C1F C15214 [0,2,0,0,0,0|1,0,0]=3 473 B13R1.1808 COC(=O)C1=CC=C(N)C(I)=C1Cl SC5027 [0,2,0,0,0,0|1,0,0]=3 474 B13R1.2678 COC(=O)C1=CC(Br)=C(F)C(Br)=C1 C90796 [0,2,0,0,0,0|1,0,0]=3 475 B13R1.2678 COC(=O)C1=CC(Br)=C(F)C(O)=C1 AT11225 [0,2,0,0,0,0|1,0,0]=3 476 B13R1.2678 COC(=O)C1=CC(Br)=C(I)C(Cl)=C1 D75554 [0,2,0,0,0,0|1,0,0]=3 477 B13R1.2678 COC(=O)C1=CC(Br)=C(N)C(C)=N1 89606 [0,2,0,0,0,0|2,0,0]=4 478 B13R1.2678 COC(=O)C1=CC(Br)=C(O)C(N)=C1 W18241 [0,2,0,0,0,0|0,0,0]=2 479 B13R1.2678 COC(=O)C1=CC(C)=C(Cl)C(C)=C1 N10713 [0,2,0,0,0,0|1,0,0]=3 480 B13R1.2678 COC(=O)C1=CC(Cl)=C(F)C(Cl)=C1 D87028 [0,2,0,0,0,0|1,0,0]=3 481 B13R1.2678 COC(=O)C1=CC(I)=C(N)C(C)=C1 FD10733 [0,2,0,0,0,0|1,0,0]=3 482 B13R1.2065 CCC1=C(C(=O)OC)C=CC(F)=C1 E72108 [0,2,0,0,0,0|1,0,0]=3 483 B13R1.2065 CNC1=CC(Cl)=NC=C1C(=O)OC AT20081 [0,2,0,0,0,0|2,0,0]=4 484 B13R1.2065 COC(=O)C1=C(CCl)C=C(Br)C=C1 AT18695 [0,2,0,0,0,0|1,0,0]=3 485 B13R1.2065 COC(=O)C1=C(OC)N=C(C)C=C1 AC9086 [0,2,0,0,0,0|2,0,0]=4 486 B13R1.2065 COC(=O)C1=CN=C(Br)C=C1OC C91419 [0,2,0,0,0,0|2,0,0]=4 487 B13R1.4656 COC(=O)C1=C(Br)C=C(Br)C=C1N D96208 [0,2,0,0,0,0|1,0,0]=3 488 B13R1.4656 COC(=O)C1=C(Br)C=[N+]([O-])C=C1Br E72142 [0,2,0,0,0,0|1,0,1]=4 489 B13R1.4656 COC(=O)C1=C(Cl)C=C(Cl)C=C1C D96205 [0,2,0,0,0,0|1,0,0]=3 490 B13R1.4656 COC(=O)C1=C(Cl)C=C(Cl)C=C1Cl AT26659 [0,2,0,0,0,0|1,0,0]=3 491 B13R1.4656 COC(=O)C1=C(F)C=C(F)C=C1C 97417 [0,2,0,0,0,0|1,0,0]=3 492 B13R1.4656 COC(=O)C1=C(I)C=C(Cl)C=C1C 55382 [0,2,0,0,0,0|1,0,0]=3 493 B13R1.4656 COC(=O)C1=C(I)C=C(F)C=C1C 55386 [0,2,0,0,0,0|1,0,0]=3 494 B13R1.4656 COC(=O)C1=C(O)C=C(O)N=C1C C93235 [0,2,0,0,0,0|1,0,0]=3 495 B11R1.37 C=CC1=C(OC)C=C(Br)C=C1 88322 [0,0,1,1,0,0|2,0,0]=4 496 B11R2.36 OC1=CC2=C(C=CS2)C=C1 A11012 [1,0,0,1,0,0|2,0,0]=4 497 B11R2.1 BrC1=CCC2=C1C=CC=C2 D78625 [1,0,0,1,0,0|2,0,0]=4 498 B11R2.1 CC1=C2C=CC=CC2=NO1 AC6101 [1,0,0,1,0,0|2,0,0]=4 499 B13R2.3028 CN1C(=O)NC2=C1C=C(F)C=C2 96196 [0,0,0,1,0,1|2,0,0]=4 500 B13R2.3028 C[C@@H]1C(=O)NC2=C1C=C(I)C=C2 F30779 [0,0,0,1,0,1|2,0,0]=4 501 B13R2.3028 C[C@@H]1C(=O)NC2=C1C=C(O)C=C2 71575 [0,0,0,1,0,1|1,0,0]=3 502 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)OC2 AC7323 [0,0,0,1,0,1|1,0,0]=3 503 B13R2.3683 O=C1NC2=C(C=C(F)C=C2)CO1 AC4756 [0,0,0,1,0,1|1,0,0]=3 504 B13R2.3683 O=C1NC2=C(C=C(I)C=C2)CO1 AC5099 [0,0,0,1,0,1|1,0,0]=3 505 B13R2.3683 O=C1NC2=NC=C(Br)C=C2CO1 AC5930 [0,0,0,1,0,1|2,0,0]=4 506 B13R2.2130 C=CC1=CC2=C(C=C1)C(=O)OC2 S10783 [0,1,0,1,0,0|1,0,0]=3 507 B13R2.2130 COC1=CC2=C(C=C1)B(O)OC2 F53636 [0,1,0,1,0,0|1,0,1]=4 508 B13R2.2130 COC1=CC2=C(C=C1)C(=O)NO2 D78694 [0,1,0,1,0,0|2,0,0]=4 509 B13R2.2130 COC1=CN=C2C(=O)NCC2=C1 F52600 [0,1,0,1,0,0|2,0,0]=4 510 B13R2.2130 CSC1=CC2=C(C=C1)C(=O)CC2 79916 [0,1,0,1,0,0|1,1,0]=4 511 B13R2.12 ClC1=CC=C(C2=NCCO2)C=C1 V10297 [0,1,0,1,0,0|2,0,0]=4 512 B13R2.662 O=CC1=CNC2=C1C=CC(O)=C2 D77285 [0,1,0,1,0,0|2,0,0]=4 513 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCS2 N16679 [0,1,0,1,0,0|2,0,0]=4 514 B13R2.5179 NC1=CC2=C(C=C1)C(=O)CCO2 Y10649 [0,1,0,1,0,0|2,0,0]=4 515 B13R2.5179 NC1=CC2=C(C=C1)C(=O)NCC2 CS1458 [0,1,0,1,0,0|2,0,0]=4 516 B13R2.5179 O=C1CCNC2=C1C=CC(Cl)=C2 Y10680 [0,1,0,1,0,0|2,0,0]=4 517 B13R2.5179 O=C1CCNC2=C1C=CC(F)=C2 N12843 [0,1,0,1,0,0|2,0,0]=4 518 B13R2.5190 CC1=CC2=C(C=C1)C(=O)[C@@H](C)C2 N14232 [0,1,0,1,0,0|2,0,0]=4 519 B13R2.5190 CN1NC2=C(C=CC(Br)=C2)C1=O 93768 [0,1,0,1,0,0|2,0,0]=4 520 B13R2.5190 C[C@H]1CC2=C(C=CC(Cl)=C2)C1=O N13213 [0,1,0,1,0,0|2,0,0]=4 521 B13R2.5180 CC1=C(C)C2=C(C=C1)C(=O)CC2 F52789 [0,1,0,1,0,0|2,0,0]=4 522 B13R2.5180 CC1=C(F)C2=C(C=C1)C(=O)CC2 F52768 [0,1,0,1,0,0|2,0,0]=4 523 B13R2.5180 CC1=C(F)C=CC2=C1CCC2=O F52766 [0,1,0,1,0,0|2,0,0]=4 524 B13R2.5180 CC1=C(N)C2=C(C=C1)C(=O)NC2 W10057 [0,1,0,1,0,0|2,0,0]=4 525 B13R2.5180 O=C1CCC2=C1C=CC(Cl)=C2I 93252 [0,1,0,1,0,0|2,0,0]=4 526 B13R2.11634 CC1=C(Br)C=C2C(=O)OCC2=C1 C91273 [0,1,0,1,0,0|1,0,0]=3 527 B13R2.11634 CC1=C(Cl)C=C2CCC(=O)C2=C1 F52802 [0,1,0,1,0,0|2,0,0]=4 528 B13R2.11634 CC1=C(F)C=C2C(=O)CCC2=C1 F52767 [0,1,0,1,0,0|2,0,0]=4 529 B13R2.11634 CC1=C(F)C=C2CCC(=O)C2=C1 F52770 [0,1,0,1,0,0|2,0,0]=4 530 B13R2.11634 CC1=CC2=C(C=C1O)C(=O)CC2 F52796 [0,1,0,1,0,0|2,0,0]=4 531 B13R2.11642 CC1=C2C(=O)CCC2=CC(Cl)=C1 F52803 [0,1,0,1,0,0|2,0,0]=4 532 B13R2.11642 CC1=C2C(=O)CCC2=CC(F)=C1 F52771 [0,1,0,1,0,0|2,0,0]=4 533 B13R2.11642 CC1=C2C(=O)OCC2=CC(O)=C1 S10279 [0,1,0,1,0,0|0,0,0]=2 534 B13R2.11642 CC1=CC(F)=C2C(=O)CCC2=C1 C14522 [0,1,0,1,0,0|2,0,0]=4 535 B13R2.11642 O=C1CCC2=CC(Cl)=CC(Br)=C12 F52758 [0,1,0,1,0,0|2,0,0]=4 536 B13R2.11642 O=C1NCC2=CC(F)=CC(F)=C12 D71998 [0,1,0,1,0,0|2,0,0]=4 537 B13R2.11642 O=C1OCC2=CC(Br)=CC(F)=C12 O11384 [0,1,0,1,0,0|1,0,0]=3 538 B9R0.23 C=C(CC(=O)O)C(=O)OC 20464 [0,0,1,0,1,0|1,0,1]=4 539 B9R1.35 CC(=O)C1=CC=C(Br)N1 C90268 [1,0,0,0,1,0|2,0,0]=4 540 B9R1.35 CC(=O)C1=CC=C(Br)O1 O10305 [1,0,0,0,1,0|2,0,0]=4 541 B9R1.35 CC(=O)N1C=CC(N)=C1 AC4901 [1,0,0,0,1,0|2,0,0]=4 542 B9R1.35 NC1=CSC(C(=O)O)=C1 AC7156 [1,0,0,0,1,0|2,0,0]=4 543 B9R1.35 O=C(O)C1=CC(O)=CS1 AT16393 [1,0,0,0,1,0|1,0,0]=3 544 B9R1.35 O=C(O)C1=CC=C(Br)N1 O11354 [1,0,0,0,1,0|2,0,0]=4 545 B9R1.35 O=C(O)C1=CC=C(Cl)N1 AT16176 [1,0,0,0,1,0|2,0,0]=4 546 B9R1.11 COC(=O)C1=NOC=C1 AT19828 [1,0,0,0,1,0|2,0,0]=4 547 B9R1.11 COC(=O)C1=NSC=C1 AT21127 [1,0,0,0,1,0|2,0,0]=4 548 B11R1.40 CNC(=S)NC1=CC=CC=C1 T72207 [1,0,0,0,0,1|1,1,0]=4 549 B11R1.40 COC(=O)CC1=CN=CN=C1 AT13806 [1,0,0,0,0,1|2,0,0]=4 550 B11R1.40 N#CC(=O)CC1=CC=CC=C1 AC5929 [1,0,0,0,0,1|2,0,0]=4 551 B13R1.14 COC(=O)C#CC1=CC=C(Br)C=C1 AT20430 [0,0,0,0,0,2|1,0,0]=3 552 B13R1.14 COC(=O)C#CC1=CC=C(Cl)C=C1 T72904 [0,0,0,0,0,2|1,0,0]=3 553 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 C77100 [0,0,0,0,0,2|1,0,0]=3 554 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 Y11148 [0,0,0,0,0,2|1,0,0]=3