0 B7R1.4 C1=C(C(=CN1)F)F D346738 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.4 C1=C(C(=CS1)Br)Br D101590 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.4 C1=C(C(=CS1)N)N D123869 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.4 C1=CSC(=C1Br)Br D100742 [0,0,0,0,0,0|2,1,0]=3 4 B7R1.4 C1=CSC(=C1Br)Cl C101618 [0,0,0,0,0,0|2,1,0]=3 5 B7R1.4 C1=CSC(=C1Cl)Cl D101858 [0,0,0,0,0,0|2,1,0]=3 6 B7R1.4 C1=NC(=C(N1)Cl)Cl D154962 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.4 C1=NNC(=C1Br)F B173458 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.4 C1=NNC(=C1Br)N A133246 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.4 C1=NNC(=C1I)N A467422 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.4 C1CC(=O)C(=C1)O H189495 [0,0,0,0,0,0|2,1,1]=4 11 B7R1.4 C=C1CCOC1=O M108009 [0,0,0,0,0,0|2,0,2]=4 12 B7R1.4 CC1=C(C=CO1)S M102912 [0,0,0,0,0,0|0,0,0]=0 13 B7R1.4 CC1=C(C=CS1)Br B183547 [0,0,0,0,0,0|1,1,0]=2 14 B7R1.4 CC1=C(C=NN1)Br B138193 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.4 CC1=C(C=NN1)I I167610 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.4 CC1=C(C=NN1)N M586416 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.4 CC1=C(N=CN1)C D589384 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.4 CC1=C(NN=C1)C D175998 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.4 CC1=C(NN=C1)C D302720 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.4 CC1=C(SC=C1)Br B103181 [0,0,0,0,0,0|2,1,0]=3 21 B7R1.4 CC1=C(SC=C1)C D135046 [0,0,0,0,0,0|1,1,0]=2 22 B7R1.4 CC1=C(SC=C1)Cl C101382 [0,0,0,0,0,0|2,1,0]=3 23 B7R1.4 CC1=C(SC=N1)C D119298 [0,0,0,0,0,0|2,1,0]=3 24 B7R1.4 CC1=CC=NN1C D154766 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.4 CC1=CCCC1=O M165952 [0,0,0,0,0,0|1,1,2]=4 26 B7R1.4 CC1=CCOC1=O M158201 [0,0,0,0,0,0|2,0,1]=3 27 B7R1.4 CC1=CSC=C1Br B123867 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.4 CC1=NC=CN1C D106351 [0,0,0,0,0,0|3,0,0]=3 29 B7R1.4 CC1C(=O)CCO1 M102944 [0,0,0,0,0,0|0,1,3]=4 30 B7R1.4 CC1C(CCO1)S M102916 [0,0,0,0,0,0|0,0,4]=4 31 B7R1.4 CN1C(=CC=N1)I I138694 [0,0,0,0,0,0|3,0,0]=3 32 B7R1.4 CN1C(=CC=N1)N A180010 [0,0,0,0,0,0|3,0,0]=3 33 B7R1.4 CN1C(=NC=N1)Br B138350 [0,0,0,0,0,0|4,0,0]=4 34 B7R1.4 CN1C(=NC=N1)N M587441 [0,0,0,0,0,0|4,0,0]=4 35 B7R1.4 CN1C(=O)C=CN1 H133658 [0,0,0,0,0,0|2,1,0]=3 36 B7R1.4 CN1C(=O)C=CS1 M110103 [0,0,0,0,0,0|1,2,0]=3 37 B7R1.4 CN1C(=O)C=CS1 M132907 [0,0,0,0,0,0|1,2,0]=3 38 B7R1.4 CN1C(=O)CC=N1 M586169 [0,0,0,0,0,0|2,1,1]=4 39 B7R1.4 CN1C=CN=C1Br B167785 [0,0,0,0,0,0|4,0,0]=4 40 B7R1.4 CN1C=CN=C1Cl C183175 [0,0,0,0,0,0|4,0,0]=4 41 B7R1.4 CN1C=CN=C1I I184073 [0,0,0,0,0,0|4,0,0]=4 42 B7R1.4 CN1C=CNC1=S M106466 [0,0,0,0,0,0|3,0,1]=4 43 B7R1.4 CN1C=CNC1=S M407769 [0,0,0,0,0,0|3,0,1]=4 44 B7R1.4 CN1C=NC=C1Br B165351 [0,0,0,0,0,0|4,0,0]=4 45 B7R1.4 CN1C=NC=C1Cl C153687 [0,0,0,0,0,0|4,0,0]=4 46 B6R1.2 C1=C(C=NN1)Br B119149 [1,0,0,0,0,0|3,0,0]=4 47 B6R1.2 C1=C(C=NN1)Cl C153799 [1,0,0,0,0,0|3,0,0]=4 48 B6R1.2 C1=C(C=NN1)I I157632 [1,0,0,0,0,0|3,0,0]=4 49 B6R1.2 C1=C(C=NN1)N A135058 [1,0,0,0,0,0|3,0,0]=4 50 B6R1.2 C1=C(C=NN1)N H176481 [1,0,0,0,0,0|3,0,0]=4 51 B6R1.2 C1=C(C=NN1)O H589239 [1,0,0,0,0,0|2,1,0]=4 52 B6R1.2 C1=C(C=NO1)I I590305 [1,0,0,0,0,0|2,0,0]=3 53 B6R1.2 C1=C(C=NS1)N I304272 [1,0,0,0,0,0|2,1,0]=4 54 B6R1.2 C1=C(N=CS1)Br B122730 [1,0,0,0,0,0|2,1,0]=4 55 B6R1.2 C1=C(NC=N1)Br B119330 [1,0,0,0,0,0|3,0,0]=4 56 B6R1.2 C1=C(NC=N1)F F176048 [1,0,0,0,0,0|3,0,0]=4 57 B6R1.2 C1=C(NC=N1)I I115819 [1,0,0,0,0,0|3,0,0]=4 58 B6R1.2 C1=C(NN=C1)Br B132639 [1,0,0,0,0,0|3,0,0]=4 59 B6R1.2 C1=C(NN=C1)Br B586496 [1,0,0,0,0,0|3,0,0]=4 60 B6R1.2 C1=C(NN=C1)F F174272 [1,0,0,0,0,0|3,0,0]=4 61 B6R1.2 C1=C(NN=C1)I I157634 [1,0,0,0,0,0|3,0,0]=4 62 B6R1.2 C1=C(NN=C1)I I586115 [1,0,0,0,0,0|3,0,0]=4 63 B6R1.2 C1=C(NN=C1)N A105614 [1,0,0,0,0,0|3,0,0]=4 64 B6R1.2 C1=C(NN=C1)N H304965 [1,0,0,0,0,0|3,0,0]=4 65 B6R1.2 C1=C(NN=C1)N H586683 [1,0,0,0,0,0|3,0,0]=4 66 B6R1.2 C1=C(ON=C1)N I587306 [1,0,0,0,0,0|2,0,0]=3 67 B6R1.2 C1=C(SC=N1)Br B119307 [1,0,0,0,0,0|2,1,0]=4 68 B6R1.2 C1=C(SC=N1)N A482119 [1,0,0,0,0,0|2,1,0]=4 69 B6R1.2 C1=C(SC=N1)N T587693 [1,0,0,0,0,0|2,1,0]=4 70 B6R1.2 C1=CN(C=C1)N A151234 [1,0,0,0,0,0|3,0,0]=4 71 B6R1.2 C1=CN(N=C1)O H177521 [1,0,0,0,0,0|3,0,0]=4 72 B6R1.2 C1=CN=C(N1)Br B123024 [1,0,0,0,0,0|3,0,0]=4 73 B6R1.2 C1=CN=C(N1)Cl C153688 [1,0,0,0,0,0|3,0,0]=4 74 B6R1.2 C1=CN=C(N1)I I169417 [1,0,0,0,0,0|3,0,0]=4 75 B6R1.2 C1=CN=C(N1)N A129107 [1,0,0,0,0,0|3,0,0]=4 76 B6R1.2 C1=CN=C(N1)N H186542 [1,0,0,0,0,0|3,0,0]=4 77 B6R1.2 C1=CNC(=S)N1 M134875 [1,0,0,0,0,0|3,0,0]=4 78 B6R1.2 C1=CNNC1=O H173741 [1,0,0,0,0,0|2,1,0]=4 79 B6R1.2 C1=COC(=C1)Br B152379 [1,0,0,0,0,0|1,0,0]=2 80 B6R1.2 C1=COC(=N1)Br B586790 [1,0,0,0,0,0|2,0,0]=3 81 B6R1.2 C1=COC(=N1)N A122648 [1,0,0,0,0,0|2,0,0]=3 82 B6R1.2 C1=COC(=O)O1 V107163 [1,0,0,0,0,0|2,0,0]=3 83 B6R1.2 C1=COC(=O)O1 V359322 [1,0,0,0,0,0|2,0,0]=3 84 B6R1.2 C1=COC(=O)O1 V399512 [1,0,0,0,0,0|2,0,0]=3 85 B6R1.2 C1=COC=C1Br B123116 [1,0,0,0,0,0|1,0,0]=2 86 B6R1.2 C1=CON=C1Br B481858 [1,0,0,0,0,0|2,0,0]=3 87 B6R1.2 C1=CON=C1N A124591 [1,0,0,0,0,0|2,0,0]=3 88 B6R1.2 C1=CSC(=C1)Br B107006 [1,0,0,0,0,0|1,1,0]=3 89 B6R1.2 C1=CSC(=C1)Cl C106575 [1,0,0,0,0,0|1,1,0]=3 90 B6R1.2 C1=CSC(=C1)I I107041 [1,0,0,0,0,0|1,1,0]=3 91 B6R1.2 C1=CSC(=C1)S T100899 [1,0,0,0,0,0|1,1,0]=3 92 B6R1.2 C1=CSC(=N1)Br B123649 [1,0,0,0,0,0|2,1,0]=4 93 B6R1.2 C1=CSC(=N1)Cl C121869 [1,0,0,0,0,0|2,1,0]=4 94 B6R1.2 C1=CSC(=N1)N A104872 [1,0,0,0,0,0|2,1,0]=4 95 B6R1.2 C1=CSC(=N1)N A418731 [1,0,0,0,0,0|2,1,0]=4 96 B6R1.2 C1=CSC(=N1)N A418786 [1,0,0,0,0,0|2,1,0]=4 97 B6R1.2 C1=CSC(=S)N1 M136894 [1,0,0,0,0,0|2,1,0]=4 98 B6R1.2 C1=CSC=C1Br B103164 [1,0,0,0,0,0|1,1,0]=3 99 B6R1.2 C1=CSC=C1Cl C101614 [1,0,0,0,0,0|1,1,0]=3 100 B6R1.2 C1=CSC=C1F F156769 [1,0,0,0,0,0|1,1,0]=3 101 B6R1.2 C1=CSC=C1I I165643 [1,0,0,0,0,0|1,1,0]=3 102 B6R1.2 C1=CSC=C1N D303790 [1,0,0,0,0,0|1,1,0]=3 103 B6R1.2 C1=CSC=C1N T588427 [1,0,0,0,0,0|1,1,0]=3 104 B6R1.2 C1=CSSC1=S H275383 [1,0,0,0,0,0|1,1,1]=4 105 B6R1.2 C1C=CC(=O)N1 D344952 [1,0,0,0,0,0|2,0,1]=4 106 B6R1.2 C1C=CC(=O)O1 F107943 [1,0,0,0,0,0|1,0,1]=3 107 B6R1.2 C1C=CC(=O)S1 H472400 [1,0,0,0,0,0|1,1,1]=4 108 B6R1.2 C1CC(=O)C=C1 C139450 [1,0,0,0,0,0|1,1,1]=4 109 B6R1.2 CC1=CC=CN1 M185725 [1,0,0,0,0,0|1,0,0]=2 110 B6R1.2 CC1=CC=CO1 M110932 [1,0,0,0,0,0|0,0,0]=1 111 B6R1.2 CC1=CC=CS1 M109554 [1,0,0,0,0,0|0,1,0]=2 112 B6R1.2 CC1=CC=NN1 M108005 [1,0,0,0,0,0|2,0,0]=3 113 B6R1.2 CC1=CC=NO1 M158646 [1,0,0,0,0,0|1,0,0]=2 114 B6R1.2 CC1=CCCC1 M158230 [1,0,0,0,0,0|1,0,2]=4 115 B6R1.2 CC1=CN=CN1 M112296 [1,0,0,0,0,0|2,0,0]=3 116 B6R1.2 CC1=CN=CS1 M124661 [1,0,0,0,0,0|1,1,0]=3 117 B6R1.2 CC1=CNC=C1 M139090 [1,0,0,0,0,0|2,0,0]=3 118 B6R1.2 CC1=CNN=C1 M158362 [1,0,0,0,0,0|3,0,0]=4 119 B6R1.2 CC1=COC=C1 M158541 [1,0,0,0,0,0|1,0,0]=2 120 B6R1.2 CC1=CSC=C1 M113676 [1,0,0,0,0,0|1,1,0]=3 121 B6R1.2 CC1=CSC=N1 M103108 [1,0,0,0,0,0|2,0,0]=3 122 B6R1.2 CC1=NC=CN1 M104839 [1,0,0,0,0,0|2,0,0]=3 123 B6R1.2 CC1=NC=CS1 M299351 [1,0,0,0,0,0|1,1,0]=3 124 B6R1.2 CC1=NC=C[N-]1 Z282555 [1,0,0,0,0,0|2,0,0]=3 125 B6R1.2 CC1=NC=NN1 M177267 [1,0,0,0,0,0|3,0,0]=4 126 B6R1.2 CC1=NCCO1 M158497 [1,0,0,0,0,0|1,0,2]=4 127 B6R1.2 CN1C=CC=C1 M100701 [1,0,0,0,0,0|2,0,0]=3 128 B6R1.2 CN1C=CC=N1 M107967 [1,0,0,0,0,0|2,0,0]=3 129 B6R1.2 CN1C=CN=C1 M109227 [1,0,0,0,0,0|3,0,0]=4 130 B6R1.2 CN1C=CN=C1 M300816 [1,0,0,0,0,0|3,0,0]=4 131 B6R1.2 CN1C=CN=C1 M342188 [1,0,0,0,0,0|3,0,0]=4 132 B6R1.2 CN1C=NC=N1 M139070 [1,0,0,0,0,0|3,0,0]=4 133 B8R1.11 C1=COC(=C1Br)C=O B181580 [0,1,0,0,0,0|1,0,1]=3 134 B8R1.11 C1=CSC(=C1Br)C=O B123868 [0,1,0,0,0,0|1,1,1]=4 135 B8R1.11 C1=CSC(=C1C#N)N A123466 [0,1,0,0,0,0|2,1,0]=4 136 B8R1.11 C1=CSC(=C1C=O)Br B191744 [0,1,0,0,0,0|1,2,0]=4 137 B8R1.11 CC1=C(C=CO1)SC M102940 [0,1,0,0,0,0|0,0,0]=1 138 B8R1.11 CC1=C(C=NN1)C=O M137435 [0,1,0,0,0,0|2,1,0]=4 139 B8R1.11 CC1=C(N=CN1)C=O W136827 [0,1,0,0,0,0|2,1,0]=4 140 B8R1.11 CC1=C(N=CN1)CO H136151 [0,1,0,0,0,0|2,1,0]=4 141 B8R1.11 CC1=C(N=CN1)CO H157127 [0,1,0,0,0,0|2,1,0]=4 142 B8R1.11 CC1=C(SC=C1)C#N M185184 [0,1,0,0,0,0|1,1,1]=4 143 B8R1.11 CC1=C(SC=C1)C=O M157936 [0,1,0,0,0,0|1,1,1]=4 144 B8R1.11 CC1=C(SC=N1)C=C M124074 [0,1,0,0,0,0|3,0,0]=4 145 B8R1.11 CC1=C(SC=N1)C=O M137054 [0,1,0,0,0,0|2,1,0]=4 146 B8R1.11 CCN1C(=CC=N1)N E133315 [0,1,0,0,0,0|3,0,0]=4 147 B8R1.11 CCN1C=CN=C1C E588107 [0,1,0,0,0,0|3,0,0]=4 148 B8R1.11 CN1C(=CC=N1)C=O M138592 [0,1,0,0,0,0|2,1,0]=4 149 B8R1.11 CN1C=CC=C1C#N C183912 [0,1,0,0,0,0|3,0,0]=4 150 B8R1.11 CN1C=CC=C1C=O M158153 [0,1,0,0,0,0|2,1,0]=4 151 B8R1.11 CN1C=CN=C1CCl C186629 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.11 CN1C=CN=C1CN M586747 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.11 CN1C=CN=C1CO H157128 [0,1,0,0,0,0|3,0,0]=4 154 B8R1.18 C1=C(C(=O)OC1=O)Br B194099 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.18 C1=C(SC(=C1Br)Br)Br T101292 [0,1,0,0,0,0|2,1,0]=4 156 B8R1.18 C=C1CC(=O)OC1=O I132081 [0,1,0,0,0,0|2,0,1]=4 157 B8R1.18 C=C1CC(=O)OC1=O I492174 [0,1,0,0,0,0|2,0,1]=4 158 B8R1.18 CC1=C(C=C(S1)Br)Br D155848 [0,1,0,0,0,0|1,1,0]=3 159 B8R1.18 CC1=C(N=C(N1)Br)Br D182859 [0,1,0,0,0,0|3,0,0]=4 160 B8R1.18 CC1=C(OC(=N1)Br)C B586742 [0,1,0,0,0,0|2,0,0]=3 161 B8R1.18 CC1=C(OC(=O)O1)C D134948 [0,1,0,0,0,0|2,0,0]=3 162 B8R1.18 CC1=C(SC(=C1)Br)Br D155842 [0,1,0,0,0,0|2,1,0]=4 163 B8R1.18 CC1=C(SC(=C1)Cl)Cl D155854 [0,1,0,0,0,0|2,1,0]=4 164 B8R1.18 CC1=C(SC(=N1)C)C T161779 [0,1,0,0,0,0|2,1,0]=4 165 B8R1.18 CC1=C(SC(=N1)N)C A122571 [0,1,0,0,0,0|2,1,0]=4 166 B8R1.18 CC1=C(SC(=N1)N)C A151214 [0,1,0,0,0,0|2,1,0]=4 167 B8R1.18 CC1=CC(=C(O1)C)S D103074 [0,1,0,0,0,0|0,0,0]=1 168 B8R1.18 CC1=CC(=C(S1)C)C T162829 [0,1,0,0,0,0|1,1,0]=3 169 B8R1.18 CC1=CC(=NN1C)C T108006 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.18 CC1=CC(=NN1C)N D183931 [0,1,0,0,0,0|3,0,0]=4 171 B8R1.18 CC1=CC(=O)OC1=O C106959 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.18 CC1=CC(OC1=O)O H404578 [0,1,0,0,0,0|2,0,1]=4 173 B8R1.18 CC1=NC(=CN1C)Br B186977 [0,1,0,0,0,0|3,0,0]=4 174 B8R1.18 CC1=NN(C(=C1)Br)C B176832 [0,1,0,0,0,0|3,0,0]=4 175 B8R1.18 CC1=NN(C(=C1)N)C W136575 [0,1,0,0,0,0|3,0,0]=4 176 B8R1.18 CC1=NN(C=C1Br)C B176844 [0,1,0,0,0,0|3,0,0]=4 177 B8R1.18 CC1=NN(C=C1Cl)C C480122 [0,1,0,0,0,0|3,0,0]=4 178 B8R1.18 CC1C(=O)C=C(O1)C D102990 [0,1,0,0,0,0|0,1,1]=3 179 B8R1.18 CN1C(=CC(=N1)Br)Br D587075 [0,1,0,0,0,0|3,0,0]=4 180 B8R1.18 CN1C(=O)C=C(S1)Cl C183242 [0,1,0,0,0,0|1,2,0]=4 181 B8R1.18 CN1C(=O)C=C(S1)Cl M193940 [0,1,0,0,0,0|1,2,0]=4 182 B8R1.50 C1C(=C(C(=O)O1)Br)Br D167417 [0,1,0,0,0,0|2,0,1]=4 183 B8R1.50 CC1=C(C(=NN1)C)Br B133385 [0,1,0,0,0,0|3,0,0]=4 184 B8R1.50 CC1=C(C(=NN1)C)I D107974 [0,1,0,0,0,0|3,0,0]=4 185 B8R1.50 CC1=C(C(=NN1)N)Br A151508 [0,1,0,0,0,0|3,0,0]=4 186 B8R1.50 CC1=C(C(=NO1)C)Br B123097 [0,1,0,0,0,0|2,0,0]=3 187 B8R1.50 CC1=C(C(=NO1)C)I I122966 [0,1,0,0,0,0|2,0,0]=3 188 B8R1.50 CC1=C(C(=O)CC1)Br B472647 [0,1,0,0,0,0|2,0,1]=4 189 B8R1.50 CC1=C(C(=O)CC1)O H139285 [0,1,0,0,0,0|1,1,1]=4 190 B8R1.50 CC1=C(C(=O)CO1)O H120034 [0,1,0,0,0,0|0,1,1]=3 191 B8R1.50 CC1=C(C=NN1C)Br B185333 [0,1,0,0,0,0|3,0,0]=4 192 B8R1.50 CC1=C(C=NN1C)N D586661 [0,1,0,0,0,0|3,0,0]=4 193 B8R1.50 CC1=C(ON=C1N)C A132129 [0,1,0,0,0,0|2,0,0]=3 194 B8R1.50 CC1=C(SC=C1Br)C B469047 [0,1,0,0,0,0|1,1,0]=3 195 B8R1.50 CC1=C(SC=[N+]1C)C T282320 [0,1,0,0,0,0|2,1,0]=4 196 B8R1.50 CC1=CC=C(N1C)C T161834 [0,1,0,0,0,0|3,0,0]=4 197 B8R1.50 CC1=NOC(=C1Br)N A169620 [0,1,0,0,0,0|3,0,0]=4 198 B8R1.50 CC1=NOC(=C1Cl)N C587589 [0,1,0,0,0,0|3,0,0]=4 199 B8R1.50 CC1=NSC(=C1Br)N A469750 [0,1,0,0,0,0|3,0,0]=4 200 B8R1.50 CC1=[N+](C=CN1C)C T281622 [0,1,0,0,0,0|3,0,0]=4 201 B8R1.50 CN1C(=C(C=N1)Br)N A132098 [0,1,0,0,0,0|3,0,0]=4 202 B8R1.50 CN1C(=O)C=CC1=O N158890 [0,1,0,0,0,0|2,1,0]=4 203 B6R0.1 C=COC(=O)CCl V162952 [0,0,1,0,0,0|2,0,1]=4 204 B6R0.1 CC=CC(=O)OC M109486 [0,0,1,0,0,0|2,1,0]=4 205 B6R0.1 CCC(=O)C=CC E404567 [0,0,1,0,0,0|1,1,1]=4 206 B6R0.1 CCC(=O)C=CC H111425 [0,0,1,0,0,0|1,1,1]=4 207 B6R0.1 CCC(=O)OC=C V162937 [0,0,1,0,0,0|2,0,1]=4 208 B6R0.1 COC(=O)C=CI E589680 [0,0,1,0,0,0|2,1,0]=4 209 B6R0.3 CC(=C)C(=O)OC M109623 [0,0,1,0,0,0|2,0,1]=4 210 B6R0.3 CC(=C)C(=O)OC M109626 [0,0,1,0,0,0|2,0,1]=4 211 B6R0.3 CC(=C)C(=O)OC M109629 [0,0,1,0,0,0|2,0,1]=4 212 B6R0.3 CC(=C)C(=O)OC P141442 [0,0,1,0,0,0|2,0,1]=4 213 B6R0.3 CC(=C)C(=O)OC P141443 [0,0,1,0,0,0|2,0,1]=4 214 B6R0.3 CC(=C)C(=O)OC P141444 [0,0,1,0,0,0|2,0,1]=4 215 B6R0.3 CC(=C)C(=O)OC P434521 [0,0,1,0,0,0|2,0,1]=4 216 B6R0.3 CC(=C)C(=O)OC P434523 [0,0,1,0,0,0|2,0,1]=4 217 B6R0.3 CC(=C)C(=O)OC P434524 [0,0,1,0,0,0|2,0,1]=4 218 B6R0.3 CC(=C)C(=O)OC P478276 [0,0,1,0,0,0|2,0,1]=4 219 B6R0.3 CC(=C)C(=O)OC P598682 [0,0,1,0,0,0|2,0,1]=4 220 B6R0.3 CC(=O)N(C)C=C N124471 [0,0,1,0,0,0|2,0,1]=4 221 B6R0.3 CC(C=C)C(=O)O M404731 [0,0,1,0,0,0|2,0,1]=4 222 B6R0.3 CC=C(C)C(=O)C M158812 [0,0,1,0,0,0|1,0,2]=4 223 B6R0.3 CC=C(C)C(=O)C M401547 [0,0,1,0,0,0|1,0,2]=4 224 B6R0.3 CC=C(C)C(=O)O B137277 [0,0,1,0,0,0|2,0,1]=4 225 B6R0.3 CC=C(C)C(=O)O T107164 [0,0,1,0,0,0|2,0,1]=4 226 B6R0.3 CN(C)C(=O)C=C N159036 [0,0,1,0,0,0|2,1,0]=4 227 B6R0.3 COC(=O)C(=C)Br M193464 [0,0,1,0,0,0|2,0,1]=4 228 B6R0.3 COC(=O)C(=C)Cl M158644 [0,0,1,0,0,0|2,0,1]=4 229 B6R0.3 COC(=O)C(=C)F M138536 [0,0,1,0,0,0|2,0,1]=4 230 B6R0.6 CC=CC=CC=O H156882 [0,0,1,0,0,0|1,1,0]=3 231 B6R0.6 CC=CC=CCO I167855 [0,0,1,0,0,0|1,1,1]=4 232 B6R0.6 CC=CC=CCO T470463 [0,0,1,0,0,0|1,1,1]=4 233 B6R0.6 CCCC=CC=O H107633 [0,0,1,0,0,0|1,1,1]=4 234 B6R0.6 CCCC=CC=O T425385 [0,0,1,0,0,0|1,1,1]=4 235 B6R0.6 CCOC=CC#N E156406 [0,0,1,0,0,0|1,0,2]=4 236 B8R1.4 C1=C(NC(=O)N=C1)N C104336 [0,0,0,0,0,1|3,0,0]=4 237 B8R1.4 C1=C(NC(=O)N=C1)N C425633 [0,0,0,0,0,1|3,0,0]=4 238 B8R1.4 C1=C(NC(=S)N=C1)N T169649 [0,0,0,0,0,1|3,0,0]=4 239 B8R1.4 C1=CC(=CC(=C1)Br)Br D110983 [0,0,0,0,0,1|3,0,0]=4 240 B8R1.4 C1=CC(=CC(=C1)Br)Cl B106999 [0,0,0,0,0,1|3,0,0]=4 241 B8R1.4 C1=CC(=CC(=C1)Br)F B109686 [0,0,0,0,0,1|3,0,0]=4 242 B8R1.4 C1=CC(=CC(=C1)Br)N B103950 [0,0,0,0,0,1|3,0,0]=4 243 B8R1.4 C1=CC(=CC(=C1)Br)O B106994 [0,0,0,0,0,1|2,1,0]=4 244 B8R1.4 C1=CC(=CC(=C1)Br)O B106995 [0,0,0,0,0,1|2,1,0]=4 245 B8R1.4 C1=CC(=CC(=C1)Br)S B106987 [0,0,0,0,0,1|2,0,0]=3 246 B8R1.4 C1=CC(=CC(=C1)Cl)Cl D108531 [0,0,0,0,0,1|3,0,0]=4 247 B8R1.4 C1=CC(=CC(=C1)Cl)Cl D108532 [0,0,0,0,0,1|3,0,0]=4 248 B8R1.4 C1=CC(=CC(=C1)Cl)Cl D108536 [0,0,0,0,0,1|3,0,0]=4 249 B8R1.4 C1=CC(=CC(=C1)Cl)Cl D108538 [0,0,0,0,0,1|3,0,0]=4 250 B8R1.4 C1=CC(=CC(=C1)Cl)F C120580 [0,0,0,0,0,1|3,0,0]=4 251 B8R1.4 C1=CC(=CC(=C1)Cl)N C103948 [0,0,0,0,0,1|3,0,0]=4 252 B8R1.4 C1=CC(=CC(=C1)Cl)O C104273 [0,0,0,0,0,1|2,1,0]=4 253 B8R1.4 C1=CC(=CC(=C1)Cl)O C104276 [0,0,0,0,0,1|2,1,0]=4 254 B8R1.4 C1=CC(=CC(=C1)Cl)S C101765 [0,0,0,0,0,1|2,0,0]=3 255 B8R1.4 C1=CC(=CC(=C1)F)F D154172 [0,0,0,0,0,1|3,0,0]=4 256 B8R1.4 C1=CC(=CC(=C1)F)N F107123 [0,0,0,0,0,1|3,0,0]=4 257 B8R1.4 C1=CC(=CC(=C1)F)O F120588 [0,0,0,0,0,1|2,1,0]=4 258 B8R1.4 C1=CC(=CC(=C1)I)Br B103587 [0,0,0,0,0,1|3,0,0]=4 259 B8R1.4 C1=CC(=CC(=C1)I)Cl C124310 [0,0,0,0,0,1|3,0,0]=4 260 B8R1.4 C1=CC(=CC(=C1)I)F F115539 [0,0,0,0,0,1|3,0,0]=4 261 B8R1.4 C1=CC(=CC(=C1)I)I D185637 [0,0,0,0,0,1|3,0,0]=4 262 B8R1.4 C1=CC(=CC(=C1)I)N I103150 [0,0,0,0,0,1|3,0,0]=4 263 B8R1.4 C1=CC(=CC(=C1)I)O I103144 [0,0,0,0,0,1|2,1,0]=4 264 B8R1.4 C1=CC(=CC(=C1)N)N P101105 [0,0,0,0,0,1|3,0,0]=4 265 B8R1.4 C1=CC(=CC(=C1)N)N P111631 [0,0,0,0,0,1|3,0,0]=4 266 B8R1.4 C1=CC(=CC(=C1)N)N P111632 [0,0,0,0,0,1|3,0,0]=4 267 B8R1.4 C1=CC(=CC(=C1)N)N P113284 [0,0,0,0,0,1|3,0,0]=4 268 B8R1.4 C1=CC(=CC(=C1)O)N A108481 [0,0,0,0,0,1|2,1,0]=4 269 B8R1.4 C1=CC(=CC(=C1)O)N A108482 [0,0,0,0,0,1|2,1,0]=4 270 B8R1.4 C1=CC(=CC(=C1)O)N A113896 [0,0,0,0,0,1|2,1,0]=4 271 B8R1.4 C1=CC(=CC(=C1)O)N A301746 [0,0,0,0,0,1|2,1,0]=4 272 B8R1.4 C1=CC(=CC(=C1)O)O R111662 [0,0,0,0,0,1|2,1,0]=4 273 B8R1.4 C1=CC(=CC(=C1)O)O R111663 [0,0,0,0,0,1|2,1,0]=4 274 B8R1.4 C1=CC(=CC(=C1)S)F F101760 [0,0,0,0,0,1|2,0,0]=3 275 B8R1.4 C1=CC(=CC(=C1)S)N A107495 [0,0,0,0,0,1|2,0,0]=3 276 B8R1.4 C1=CC(=CC(=C1)S)O M101785 [0,0,0,0,0,1|2,0,0]=3 277 B8R1.4 C1=CC(=CC(=C1)S)S B152749 [0,0,0,0,0,1|2,0,0]=3 278 B8R1.4 C1=CC(=NC(=C1)Br)Br D101563 [0,0,0,0,0,1|3,0,0]=4 279 B8R1.4 C1=CC(=NC(=C1)Br)Cl B136352 [0,0,0,0,0,1|3,0,0]=4 280 B8R1.4 C1=CC(=NC(=C1)Br)F B119637 [0,0,0,0,0,1|3,0,0]=4 281 B8R1.4 C1=CC(=NC(=C1)Br)N A119408 [0,0,0,0,0,1|3,0,0]=4 282 B8R1.4 C1=CC(=NC(=C1)Cl)Cl D105924 [0,0,0,0,0,1|3,0,0]=4 283 B8R1.4 C1=CC(=NC(=C1)Cl)F C182701 [0,0,0,0,0,1|3,0,0]=4 284 B8R1.4 C1=CC(=NC(=C1)Cl)N A101565 [0,0,0,0,0,1|3,0,0]=4 285 B8R1.4 C1=CC(=NC(=C1)F)F D124337 [0,0,0,0,0,1|3,0,0]=4 286 B8R1.4 C1=CC(=NC(=C1)F)N F132264 [0,0,0,0,0,1|3,0,0]=4 287 B8R1.4 C1=CC(=NC(=C1)I)Br B120455 [0,0,0,0,0,1|3,0,0]=4 288 B8R1.4 C1=CC(=NC(=C1)I)Cl C169092 [0,0,0,0,0,1|3,0,0]=4 289 B8R1.4 C1=CC(=NC(=C1)I)N I195545 [0,0,0,0,0,1|3,0,0]=4 290 B8R1.4 C1=CC(=NC(=C1)N)N D106446 [0,0,0,0,0,1|3,0,0]=4 291 B8R1.4 C1=CC(=O)NC(=C1)Br B151966 [0,0,0,0,0,1|2,1,0]=4 292 B8R1.4 C1=CC(=O)NC(=C1)Cl C153927 [0,0,0,0,0,1|2,1,0]=4 293 B8R1.4 C1=CC(=O)NC(=C1)F F184843 [0,0,0,0,0,1|2,1,0]=4 294 B8R1.4 C1=CC(=O)NC(=C1)N A184895 [0,0,0,0,0,1|2,1,0]=4 295 B8R1.4 C1=CC(=O)NC(=C1)N A589594 [0,0,0,0,0,1|2,1,0]=4 296 B8R1.4 C1=CC(=O)NC(=C1)O D165567 [0,0,0,0,0,1|2,1,0]=4 297 B8R1.4 C1=CN=C(C=C1Br)Br D124330 [0,0,0,0,0,1|3,0,0]=4 298 B8R1.4 C1=CN=C(C=C1Br)Cl B102595 [0,0,0,0,0,1|3,0,0]=4 299 B8R1.4 C1=CN=C(C=C1Br)F B120712 [0,0,0,0,0,1|3,0,0]=4 300 B8R1.4 C1=CN=C(C=C1Br)N A123368 [0,0,0,0,0,1|3,0,0]=4 301 B8R1.4 C1=CN=C(C=C1Cl)Br B120784 [0,0,0,0,0,1|3,0,0]=4 302 B8R1.4 C1=CN=C(C=C1Cl)Cl D154414 [0,0,0,0,0,1|3,0,0]=4 303 B8R1.4 C1=CN=C(C=C1Cl)F C183922 [0,0,0,0,0,1|3,0,0]=4 304 B8R1.4 C1=CN=C(C=C1Cl)I C192180 [0,0,0,0,0,1|3,0,0]=4 305 B8R1.4 C1=CN=C(C=C1Cl)N A107902 [0,0,0,0,0,1|3,0,0]=4 306 B8R1.4 C1=CN=C(C=C1F)Br B119636 [0,0,0,0,0,1|3,0,0]=4 307 B8R1.4 C1=CN=C(C=C1F)Cl C119640 [0,0,0,0,0,1|3,0,0]=4 308 B8R1.4 C1=CN=C(C=C1F)F D124339 [0,0,0,0,0,1|3,0,0]=4 309 B8R1.4 C1=CN=C(C=C1F)N F178407 [0,0,0,0,0,1|3,0,0]=4 310 B8R1.4 C1=CN=C(C=C1I)Br B120725 [0,0,0,0,0,1|3,0,0]=4 311 B8R1.4 C1=CN=C(C=C1I)Cl C120719 [0,0,0,0,0,1|3,0,0]=4 312 B8R1.4 C1=CN=C(C=C1I)F F120711 [0,0,0,0,0,1|3,0,0]=4 313 B8R1.4 C1=CN=C(C=C1I)N I176775 [0,0,0,0,0,1|3,0,0]=4 314 B8R1.4 C1=CN=C(C=C1N)Br A103014 [0,0,0,0,0,1|3,0,0]=4 315 B8R1.4 C1=CN=C(C=C1N)Cl A107152 [0,0,0,0,0,1|3,0,0]=4 316 B8R1.4 C1=CN=C(C=C1N)F A137501 [0,0,0,0,0,1|3,0,0]=4 317 B8R1.4 C1=CN=C(N=C1Br)Cl B590540 [0,0,0,0,0,1|3,0,0]=4 318 B8R1.4 C1=CN=C(N=C1Cl)Br B177979 [0,0,0,0,0,1|3,0,0]=4 319 B8R1.4 C1=CN=C(N=C1Cl)Cl D103228 [0,0,0,0,0,1|3,0,0]=4 320 B8R1.4 C1=CN=C(N=C1Cl)N A119322 [0,0,0,0,0,1|3,0,0]=4 321 B8R1.4 C1=CN=C(N=C1F)F D169237 [0,0,0,0,0,1|3,0,0]=4 322 B8R1.4 C1=CN=C(N=C1I)Cl C588981 [0,0,0,0,0,1|3,0,0]=4 323 B8R1.4 C1=CN=C(N=C1N)Cl A123454 [0,0,0,0,0,1|3,0,0]=4 324 B8R1.4 C1=CN=C(N=C1N)N D155135 [0,0,0,0,0,1|3,0,0]=4 325 B8R1.4 C1=CN=C(NC1=O)Cl C193933 [0,0,0,0,0,1|2,1,0]=4 326 B8R1.4 C1=CN=C(NC1=O)N I122417 [0,0,0,0,0,1|2,1,0]=4 327 B8R1.4 C1=CNC(=CC1=O)Br B184069 [0,0,0,0,0,1|2,1,0]=4 328 B8R1.4 C1=CNC(=CC1=O)Cl C153940 [0,0,0,0,0,1|2,1,0]=4 329 B8R1.4 C1=CNC(=CC1=O)F F192141 [0,0,0,0,0,1|2,1,0]=4 330 B8R1.4 C1=CNC(=CC1=O)N A124105 [0,0,0,0,0,1|2,1,0]=4 331 B8R1.4 C1=CNC(=O)C=C1Br B129073 [0,0,0,0,0,1|3,0,0]=4 332 B8R1.4 C1=CNC(=O)C=C1Cl C153941 [0,0,0,0,0,1|3,0,0]=4 333 B8R1.4 C1=CNC(=O)C=C1F F188894 [0,0,0,0,0,1|3,0,0]=4 334 B8R1.4 C1=CNC(=O)C=C1N A176346 [0,0,0,0,0,1|3,0,0]=4 335 B8R1.4 C1=CNC(=O)C=C1O D110324 [0,0,0,0,0,1|2,1,0]=4 336 B8R1.4 C1=CNC(=O)NC1=O U102087 [0,0,0,0,0,1|2,1,0]=4 337 B8R1.4 C1=CNC(=O)NC1=O U102088 [0,0,0,0,0,1|2,1,0]=4 338 B8R1.4 C1=CNC(=O)NC1=O U128370 [0,0,0,0,0,1|2,1,0]=4 339 B8R1.4 C1=CNC(=O)NC1=O U333796 [0,0,0,0,0,1|2,1,0]=4 340 B8R1.4 C1=CNC(=O)NC1=O U425336 [0,0,0,0,0,1|2,1,0]=4 341 B8R1.4 C1=CNC(=S)NC1=O T106704 [0,0,0,0,0,1|2,1,0]=4 342 B8R1.4 C1=CNC(=S)NC1=O T106705 [0,0,0,0,0,1|2,1,0]=4 343 B8R1.4 C1=CNC(=S)NC1=S D101888 [0,0,0,0,0,1|2,0,1]=4 344 B8R1.4 CC1=CC(=CC=C1)Br B104640 [0,0,0,0,0,1|2,0,0]=3 345 B8R1.4 CC1=CC(=CC=C1)C X103345 [0,0,0,0,0,1|2,0,0]=3 346 B8R1.4 CC1=CC(=CC=C1)C X103348 [0,0,0,0,0,1|2,0,0]=3 347 B8R1.4 CC1=CC(=CC=C1)C X103350 [0,0,0,0,0,1|2,0,0]=3 348 B8R1.4 CC1=CC(=CC=C1)C X119707 [0,0,0,0,0,1|2,0,0]=3 349 B8R1.4 CC1=CC(=CC=C1)Cl C104627 [0,0,0,0,0,1|2,0,0]=3 350 B8R1.4 CC1=CC(=CC=C1)F F123650 [0,0,0,0,0,1|2,0,0]=3 351 B8R1.4 CC1=CC(=CC=C1)I I102000 [0,0,0,0,0,1|2,0,0]=3 352 B8R1.4 CC1=CC(=CC=C1)N M158301 [0,0,0,0,0,1|2,0,0]=3 353 B8R1.4 CC1=CC(=CC=C1)N T110548 [0,0,0,0,0,1|2,0,0]=3 354 B8R1.4 CC1=CC(=CC=C1)N T110549 [0,0,0,0,0,1|2,0,0]=3 355 B8R1.4 CC1=CC(=CC=C1)N T110550 [0,0,0,0,0,1|2,0,0]=3 356 B8R1.4 CC1=CC(=CC=C1)O C108242 [0,0,0,0,0,1|1,1,0]=3 357 B8R1.4 CC1=CC(=CC=C1)O C108243 [0,0,0,0,0,1|1,1,0]=3 358 B8R1.4 CC1=CC(=CC=C1)O C108245 [0,0,0,0,0,1|1,1,0]=3 359 B8R1.4 CC1=CC(=CC=C1)O C108246 [0,0,0,0,0,1|1,1,0]=3 360 B8R1.4 CC1=CC(=CC=C1)O C108247 [0,0,0,0,0,1|1,1,0]=3 361 B8R1.4 CC1=CC(=CC=C1)S M100575 [0,0,0,0,0,1|1,0,0]=2 362 B8R1.4 CC1=CC(=CN=C1)Br B120789 [0,0,0,0,0,1|3,0,0]=4 363 B8R1.4 CC1=CC(=CN=C1)C L106291 [0,0,0,0,0,1|3,0,0]=4 364 B8R1.4 CC1=CC(=CN=C1)Cl C191816 [0,0,0,0,0,1|3,0,0]=4 365 B8R1.4 CC1=CC(=CN=C1)F F184385 [0,0,0,0,0,1|3,0,0]=4 366 B8R1.4 CC1=CC(=CN=C1)N A134931 [0,0,0,0,0,1|3,0,0]=4 367 B8R1.4 CC1=CC(=CN=C1)O H129072 [0,0,0,0,0,1|2,1,0]=4 368 B8R1.4 CC1=CC(=C[C-]=C1)C D140723 [0,0,0,0,0,1|2,0,1]=4 369 B8R1.4 CC1=CC(=NC=C1)Br B115781 [0,0,0,0,0,1|3,0,0]=4 370 B8R1.4 CC1=CC(=NC=C1)C L109206 [0,0,0,0,0,1|2,0,0]=3 371 B8R1.4 CC1=CC(=NC=C1)Cl C119971 [0,0,0,0,0,1|3,0,0]=4 372 B8R1.4 CC1=CC(=NC=C1)F F138875 [0,0,0,0,0,1|3,0,0]=4 373 B8R1.4 CC1=CC(=NC=C1)N A107213 [0,0,0,0,0,1|3,0,0]=4 374 B8R1.4 CC1=CC(=NC=C1)N A107214 [0,0,0,0,0,1|3,0,0]=4 375 B8R1.4 CC1=CC(=NC=N1)C W132404 [0,0,0,0,0,1|3,0,0]=4 376 B8R1.4 CC1=CC(=O)NC=C1 H115748 [0,0,0,0,0,1|2,1,0]=4 377 B8R1.4 CC1=CC(=O)NC=N1 H587427 [0,0,0,0,0,1|2,1,0]=4 378 B8R1.4 CC1=CC(=O)NC=N1 W133669 [0,0,0,0,0,1|2,1,0]=4 379 B8R1.4 CC1=CC(=S)NC=C1 M404771 [0,0,0,0,0,1|2,0,1]=4 380 B8R1.4 CC1=CC=CC(=O)N1 H107721 [0,0,0,0,0,1|1,1,0]=3 381 B8R1.4 CC1=CC=CC(=S)N1 M168093 [0,0,0,0,0,1|1,0,1]=3 382 B8R1.4 CC1=CC=NC(=O)N1 H138956 [0,0,0,0,0,1|2,1,0]=4 383 B8R1.4 CC1=CC=NC(=S)N1 M139190 [0,0,0,0,0,1|2,0,1]=4 384 B8R1.4 CC1=CN=CC(=N1)Br B188210 [0,0,0,0,0,1|3,0,0]=4 385 B8R1.4 CC1=CN=CC(=N1)C D154789 [0,0,0,0,0,1|3,0,0]=4 386 B8R1.4 CC1=CN=CC(=N1)Cl C136298 [0,0,0,0,0,1|3,0,0]=4 387 B8R1.4 CC1=CN=CC(=N1)N A185169 [0,0,0,0,0,1|3,0,0]=4 388 B8R1.4 CC1=CN=CC(=O)N1 H111406 [0,0,0,0,0,1|2,1,0]=4 389 B8R1.4 CC1=C[N+](=CC=C1)[O-] M124329 [0,0,0,0,0,1|2,1,0]=4 390 B8R1.4 CC1=NC(=CC=C1)Br B101571 [0,0,0,0,0,1|2,0,0]=3 391 B8R1.4 CC1=NC(=CC=C1)C L105811 [0,0,0,0,0,1|2,0,0]=3 392 B8R1.4 CC1=NC(=CC=C1)C L105812 [0,0,0,0,0,1|2,0,0]=3 393 B8R1.4 CC1=NC(=CC=C1)Cl C124344 [0,0,0,0,0,1|2,0,0]=3 394 B8R1.4 CC1=NC(=CC=C1)F F119659 [0,0,0,0,0,1|2,0,0]=3 395 B8R1.4 CC1=NC(=CC=C1)N A107178 [0,0,0,0,0,1|2,0,0]=3 396 B8R1.4 CC1=NC(=NC=C1)Br B123490 [0,0,0,0,0,1|3,0,0]=4 397 B8R1.4 CC1=NC(=NC=C1)Cl C120475 [0,0,0,0,0,1|3,0,0]=4 398 B8R1.4 CC1=NC(=NC=C1)N A115152 [0,0,0,0,0,1|3,0,0]=4 399 B8R1.4 CC1=NC=CC(=C1)Br B120727 [0,0,0,0,0,1|2,0,0]=3 400 B8R1.4 CC1=NC=CC(=C1)Br B591103 [0,0,0,0,0,1|2,0,0]=3 401 B8R1.4 CC1=NC=CC(=C1)Cl C133675 [0,0,0,0,0,1|2,0,0]=3 402 B8R1.4 CC1=NC=CC(=C1)N A103053 [0,0,0,0,0,1|2,0,0]=3 403 B8R1.4 CC1=NC=CC(=N1)Cl C153539 [0,0,0,0,0,1|2,0,0]=3 404 B8R1.4 CC1=NC=CC(=N1)N M194871 [0,0,0,0,0,1|2,0,0]=3 405 B8R1.4 CC1=NC=CC(=O)N1 M191883 [0,0,0,0,0,1|1,1,0]=3 406 B8R1.4 O=C1NC(=S)NC=C1 T409049 [0,0,0,0,0,1|2,1,0]=4 407 B8R1.4 Oc1cccc(O)c1 R111664 [0,0,0,0,0,1|2,1,0]=4 408 B8R1.5 C1=C(C(=NC=N1)Cl)Cl D194423 [0,0,0,0,0,1|3,0,0]=4 409 B8R1.5 C1=C(C(=NC=N1)Cl)N A151271 [0,0,0,0,0,1|3,0,0]=4 410 B8R1.5 C1=C(C(=NC=N1)N)N D138191 [0,0,0,0,0,1|3,0,0]=4 411 B8R1.5 C1=C(C(=O)NC=N1)Br B175462 [0,0,0,0,0,1|3,0,0]=4 412 B8R1.5 C1=C(C(=O)NN=C1)Cl C174888 [0,0,0,0,0,1|3,0,0]=4 413 B8R1.5 C1=CC(=C(N=C1)Br)Br D138175 [0,0,0,0,0,1|3,0,0]=4 414 B8R1.5 C1=CC(=C(N=C1)Br)Cl B139493 [0,0,0,0,0,1|3,0,0]=4 415 B8R1.5 C1=CC(=C(N=C1)Br)F B119634 [0,0,0,0,0,1|3,0,0]=4 416 B8R1.5 C1=CC(=C(N=C1)Br)I B120728 [0,0,0,0,0,1|3,0,0]=4 417 B8R1.5 C1=CC(=C(N=C1)Br)N A151581 [0,0,0,0,0,1|3,0,0]=4 418 B8R1.5 C1=CC(=C(N=C1)Br)O B110249 [0,0,0,0,0,1|2,1,0]=4 419 B8R1.5 C1=CC(=C(N=C1)Cl)Br B102592 [0,0,0,0,0,1|3,0,0]=4 420 B8R1.5 C1=CC(=C(N=C1)Cl)Cl D119974 [0,0,0,0,0,1|3,0,0]=4 421 B8R1.5 C1=CC(=C(N=C1)Cl)F C102597 [0,0,0,0,0,1|3,0,0]=4 422 B8R1.5 C1=CC(=C(N=C1)Cl)I C120717 [0,0,0,0,0,1|3,0,0]=4 423 B8R1.5 C1=CC(=C(N=C1)Cl)N A151576 [0,0,0,0,0,1|3,0,0]=4 424 B8R1.5 C1=CC(=C(N=C1)Cl)O C110320 [0,0,0,0,0,1|2,1,0]=4 425 B8R1.5 C1=CC(=C(N=C1)F)Br B120726 [0,0,0,0,0,1|3,0,0]=4 426 B8R1.5 C1=CC(=C(N=C1)F)Cl C119644 [0,0,0,0,0,1|3,0,0]=4 427 B8R1.5 C1=CC(=C(N=C1)F)F D124348 [0,0,0,0,0,1|3,0,0]=4 428 B8R1.5 C1=CC(=C(N=C1)F)I F120738 [0,0,0,0,0,1|3,0,0]=4 429 B8R1.5 C1=CC(=C(N=C1)F)N A119619 [0,0,0,0,0,1|3,0,0]=4 430 B8R1.5 C1=CC(=C(N=C1)F)O F102619 [0,0,0,0,0,1|2,1,0]=4 431 B8R1.5 C1=CC(=C(N=C1)I)F F131983 [0,0,0,0,0,1|3,0,0]=4 432 B8R1.5 C1=CC(=C(N=C1)I)O I119977 [0,0,0,0,0,1|2,1,0]=4 433 B8R1.5 C1=CC(=C(N=C1)N)Br A167068 [0,0,0,0,0,1|3,0,0]=4 434 B8R1.5 C1=CC(=C(N=C1)N)Cl A133692 [0,0,0,0,0,1|3,0,0]=4 435 B8R1.5 C1=CC(=C(N=C1)N)F W133179 [0,0,0,0,0,1|3,0,0]=4 436 B8R1.5 C1=CC(=C(N=C1)N)I A123901 [0,0,0,0,0,1|3,0,0]=4 437 B8R1.5 C1=CC(=C(N=C1)N)N D103174 [0,0,0,0,0,1|3,0,0]=4 438 B8R1.5 C1=CC(=C(N=C1)N)O A101241 [0,0,0,0,0,1|2,1,0]=4 439 B8R1.5 C1=CC(=C(N=C1)N)O A493500 [0,0,0,0,0,1|2,1,0]=4 440 B8R1.5 C1=CC=C(C(=C1)Br)Br D107944 [0,0,0,0,0,1|3,0,0]=4 441 B8R1.5 C1=CC=C(C(=C1)Br)I B118364 [0,0,0,0,0,1|3,0,0]=4 442 B8R1.5 C1=CC=C(C(=C1)Cl)Br B111197 [0,0,0,0,0,1|3,0,0]=4 443 B8R1.5 C1=CC=C(C(=C1)Cl)Br B111198 [0,0,0,0,0,1|3,0,0]=4 444 B8R1.5 C1=CC=C(C(=C1)Cl)Cl D102257 [0,0,0,0,0,1|3,0,0]=4 445 B8R1.5 C1=CC=C(C(=C1)Cl)Cl D108132 [0,0,0,0,0,1|3,0,0]=4 446 B8R1.5 C1=CC=C(C(=C1)Cl)Cl D108133 [0,0,0,0,0,1|3,0,0]=4 447 B8R1.5 C1=CC=C(C(=C1)Cl)Cl D108134 [0,0,0,0,0,1|3,0,0]=4 448 B8R1.5 C1=CC=C(C(=C1)Cl)Cl D108135 [0,0,0,0,0,1|3,0,0]=4 449 B8R1.5 C1=CC=C(C(=C1)Cl)Cl D108140 [0,0,0,0,0,1|3,0,0]=4 450 B8R1.5 C1=CC=C(C(=C1)Cl)Cl D108143 [0,0,0,0,0,1|3,0,0]=4 451 B8R1.5 C1=CC=C(C(=C1)Cl)Cl D119675 [0,0,0,0,0,1|3,0,0]=4 452 B8R1.5 C1=CC=C(C(=C1)Cl)I C102013 [0,0,0,0,0,1|3,0,0]=4 453 B8R1.5 C1=CC=C(C(=C1)F)Br B113794 [0,0,0,0,0,1|3,0,0]=4 454 B8R1.5 C1=CC=C(C(=C1)F)Cl C120578 [0,0,0,0,0,1|3,0,0]=4 455 B8R1.5 C1=CC=C(C(=C1)F)Cl C128181 [0,0,0,0,0,1|3,0,0]=4 456 B8R1.5 C1=CC=C(C(=C1)F)F D155287 [0,0,0,0,0,1|3,0,0]=4 457 B8R1.5 C1=CC=C(C(=C1)F)I F103134 [0,0,0,0,0,1|3,0,0]=4 458 B8R1.5 C1=CC=C(C(=C1)F)S F101759 [0,0,0,0,0,1|2,0,0]=3 459 B8R1.5 C1=CC=C(C(=C1)I)I D136973 [0,0,0,0,0,1|3,0,0]=4 460 B8R1.5 C1=CC=C(C(=C1)N)Br B108449 [0,0,0,0,0,1|3,0,0]=4 461 B8R1.5 C1=CC=C(C(=C1)N)Br B405677 [0,0,0,0,0,1|3,0,0]=4 462 B8R1.5 C1=CC=C(C(=C1)N)Cl C103931 [0,0,0,0,0,1|3,0,0]=4 463 B8R1.5 C1=CC=C(C(=C1)N)Cl C103932 [0,0,0,0,0,1|3,0,0]=4 464 B8R1.5 C1=CC=C(C(=C1)N)Cl C153888 [0,0,0,0,0,1|3,0,0]=4 465 B8R1.5 C1=CC=C(C(=C1)N)F F107841 [0,0,0,0,0,1|3,0,0]=4 466 B8R1.5 C1=CC=C(C(=C1)N)I I100873 [0,0,0,0,0,1|3,0,0]=4 467 B8R1.5 C1=CC=C(C(=C1)N)N P100830 [0,0,0,0,0,1|3,0,0]=4 468 B8R1.5 C1=CC=C(C(=C1)N)N P103811 [0,0,0,0,0,1|3,0,0]=4 469 B8R1.5 C1=CC=C(C(=C1)N)N P103813 [0,0,0,0,0,1|3,0,0]=4 470 B8R1.5 C1=CC=C(C(=C1)N)N P107882 [0,0,0,0,0,1|3,0,0]=4 471 B8R1.5 C1=CC=C(C(=C1)N)O A104087 [0,0,0,0,0,1|2,1,0]=4 472 B8R1.5 C1=CC=C(C(=C1)N)O A104088 [0,0,0,0,0,1|2,1,0]=4 473 B8R1.5 C1=CC=C(C(=C1)N)O A104089 [0,0,0,0,0,1|2,1,0]=4 474 B8R1.5 C1=CC=C(C(=C1)N)O A151616 [0,0,0,0,0,1|2,1,0]=4 475 B8R1.5 C1=CC=C(C(=C1)N)S A107172 [0,0,0,0,0,1|2,0,0]=3 476 B8R1.5 C1=CC=C(C(=C1)N)S A477048 [0,0,0,0,0,1|2,0,0]=3 477 B8R1.5 C1=CC=C(C(=C1)O)Br B109688 [0,0,0,0,0,1|2,1,0]=4 478 B8R1.5 C1=CC=C(C(=C1)O)Br B109689 [0,0,0,0,0,1|2,1,0]=4 479 B8R1.5 C1=CC=C(C(=C1)O)Cl C110430 [0,0,0,0,0,1|2,1,0]=4 480 B8R1.5 C1=CC=C(C(=C1)O)Cl C110432 [0,0,0,0,0,1|2,1,0]=4 481 B8R1.5 C1=CC=C(C(=C1)O)Cl C110433 [0,0,0,0,0,1|2,1,0]=4 482 B8R1.5 C1=CC=C(C(=C1)O)Cl C110434 [0,0,0,0,0,1|2,1,0]=4 483 B8R1.5 C1=CC=C(C(=C1)O)Cl C110435 [0,0,0,0,0,1|2,1,0]=4 484 B8R1.5 C1=CC=C(C(=C1)O)F F123546 [0,0,0,0,0,1|2,1,0]=4 485 B8R1.5 C1=CC=C(C(=C1)O)F F123547 [0,0,0,0,0,1|2,1,0]=4 486 B8R1.5 C1=CC=C(C(=C1)O)I I107036 [0,0,0,0,0,1|2,1,0]=4 487 B8R1.5 C1=CC=C(C(=C1)O)O C110637 [0,0,0,0,0,1|2,1,0]=4 488 B8R1.5 C1=CC=C(C(=C1)O)O C110639 [0,0,0,0,0,1|2,1,0]=4 489 B8R1.5 C1=CC=C(C(=C1)O)O P431588 [0,0,0,0,0,1|2,1,0]=4 490 B8R1.5 C1=CC=C(C(=C1)O)S M101784 [0,0,0,0,0,1|2,0,0]=3 491 B8R1.5 C1=CC=C(C(=C1)S)Br B101772 [0,0,0,0,0,1|2,0,0]=3 492 B8R1.5 C1=CC=C(C(=C1)S)Cl C101764 [0,0,0,0,0,1|2,0,0]=3 493 B8R1.5 C1=CC=C(C(=C1)S)Cl C639109 [0,0,0,0,0,1|2,0,0]=3 494 B8R1.5 C1=CC=C(C(=C1)S)S B152759 [0,0,0,0,0,1|2,0,0]=3 495 B8R1.5 C1=CN=C(C(=N1)Cl)Cl D123437 [0,0,0,0,0,1|3,0,0]=4 496 B8R1.5 C1=CN=C(C(=N1)N)Cl A121861 [0,0,0,0,0,1|3,0,0]=4 497 B8R1.5 C1=CN=C(C(=N1)N)Cl A469516 [0,0,0,0,0,1|3,0,0]=4 498 B8R1.5 C1=CN=C(C(=N1)N)N D190531 [0,0,0,0,0,1|3,0,0]=4 499 B8R1.5 C1=CN=C(C(=O)N1)N A184511 [0,0,0,0,0,1|2,1,0]=4 500 B8R1.5 C1=CN=CC(=C1Br)Br D154412 [0,0,0,0,0,1|3,0,0]=4 501 B8R1.5 C1=CN=CC(=C1Br)Cl B194810 [0,0,0,0,0,1|3,0,0]=4 502 B8R1.5 C1=CN=CC(=C1Br)O B181861 [0,0,0,0,0,1|2,1,0]=4 503 B8R1.5 C1=CN=CC(=C1Cl)Br B176292 [0,0,0,0,0,1|3,0,0]=4 504 B8R1.5 C1=CN=CC(=C1Cl)Cl D193939 [0,0,0,0,0,1|3,0,0]=4 505 B8R1.5 C1=CN=CC(=C1Cl)F C119649 [0,0,0,0,0,1|3,0,0]=4 506 B8R1.5 C1=CN=CC(=C1Cl)I C139399 [0,0,0,0,0,1|3,0,0]=4 507 B8R1.5 C1=CN=CC(=C1Cl)N A124742 [0,0,0,0,0,1|3,0,0]=4 508 B8R1.5 C1=CN=CC(=C1Cl)O C128912 [0,0,0,0,0,1|2,1,0]=4 509 B8R1.5 C1=CN=CC(=C1I)Br B590585 [0,0,0,0,0,1|3,0,0]=4 510 B8R1.5 C1=CN=CC(=C1I)Cl C120555 [0,0,0,0,0,1|3,0,0]=4 511 B8R1.5 C1=CN=CC(=C1I)F F588214 [0,0,0,0,0,1|3,0,0]=4 512 B8R1.5 C1=CN=CC(=C1I)N A123932 [0,0,0,0,0,1|3,0,0]=4 513 B8R1.5 C1=CN=CC(=C1N)Br A120721 [0,0,0,0,0,1|3,0,0]=4 514 B8R1.5 C1=CN=CC(=C1N)Cl A132817 [0,0,0,0,0,1|3,0,0]=4 515 B8R1.5 C1=CN=CC(=C1N)F A119629 [0,0,0,0,0,1|3,0,0]=4 516 B8R1.5 C1=CN=CC(=C1N)I I107963 [0,0,0,0,0,1|3,0,0]=4 517 B8R1.5 C1=CN=CC(=C1N)N D154393 [0,0,0,0,0,1|3,0,0]=4 518 B8R1.5 C1=CN=CC(=C1N)N D424687 [0,0,0,0,0,1|3,0,0]=4 519 B8R1.5 C1=CNC(=O)C(=C1)Br B102610 [0,0,0,0,0,1|2,1,0]=4 520 B8R1.5 C1=CNC(=O)C(=C1)Cl C102609 [0,0,0,0,0,1|2,1,0]=4 521 B8R1.5 C1=CNC(=O)C(=C1)F F102607 [0,0,0,0,0,1|2,1,0]=4 522 B8R1.5 C1=CNC(=O)C(=C1)I I586377 [0,0,0,0,0,1|2,1,0]=4 523 B8R1.5 C1=CNC(=O)C(=C1)N A151666 [0,0,0,0,0,1|2,1,0]=4 524 B8R1.5 C1=CNC(=O)C(=C1)O D119960 [0,0,0,0,0,1|2,1,0]=4 525 B8R1.5 C1=CNC=C(C1=O)Br B124726 [0,0,0,0,0,1|2,1,0]=4 526 B8R1.5 C1=CNC=C(C1=O)N A115784 [0,0,0,0,0,1|2,1,0]=4 527 B8R1.5 C1=COC(=O)C(=C1)O H193578 [0,0,0,0,0,1|1,1,0]=3 528 B8R1.5 CC1=C(C=CC=N1)Br B120553 [0,0,0,0,0,1|2,0,0]=3 529 B8R1.5 CC1=C(C=CC=N1)F F191212 [0,0,0,0,0,1|2,0,0]=3 530 B8R1.5 CC1=C(C=CC=N1)N A103064 [0,0,0,0,0,1|2,0,0]=3 531 B8R1.5 CC1=C(C=CC=N1)O H122390 [0,0,0,0,0,1|1,1,0]=3 532 B8R1.5 CC1=C(C=CN=C1)Cl C138427 [0,0,0,0,0,1|2,0,0]=3 533 B8R1.5 CC1=C(C=CN=C1)N M119392 [0,0,0,0,0,1|2,0,0]=3 534 B8R1.5 CC1=C(C=NC=C1)Br B107960 [0,0,0,0,0,1|2,0,0]=3 535 B8R1.5 CC1=C(C=NC=C1)Cl W134002 [0,0,0,0,0,1|2,0,0]=3 536 B8R1.5 CC1=C(C=NC=C1)F F135625 [0,0,0,0,0,1|2,0,0]=3 537 B8R1.5 CC1=C(C=NC=C1)I I588962 [0,0,0,0,0,1|2,0,0]=3 538 B8R1.5 CC1=C(C=NC=C1)N A122386 [0,0,0,0,0,1|2,0,0]=3 539 B8R1.5 CC1=C(C=NC=C1)O H179446 [0,0,0,0,0,1|1,1,0]=3 540 B8R1.5 CC1=C(N=CC=C1)Br B110258 [0,0,0,0,0,1|2,0,0]=3 541 B8R1.5 CC1=C(N=CC=C1)C L109204 [0,0,0,0,0,1|2,0,0]=3 542 B8R1.5 CC1=C(N=CC=C1)Cl C124347 [0,0,0,0,0,1|2,0,0]=3 543 B8R1.5 CC1=C(N=CC=C1)F F119658 [0,0,0,0,0,1|2,0,0]=3 544 B8R1.5 CC1=C(N=CC=C1)N A107212 [0,0,0,0,0,1|2,0,0]=3 545 B8R1.5 CC1=C(N=CC=C1)N A140869 [0,0,0,0,0,1|2,0,0]=3 546 B8R1.5 CC1=CC=CC=C1Br B108526 [0,0,0,0,0,1|2,0,0]=3 547 B8R1.5 CC1=CC=CC=C1C O102277 [0,0,0,0,0,1|2,0,0]=3 548 B8R1.5 CC1=CC=CC=C1C X108969 [0,0,0,0,0,1|2,0,0]=3 549 B8R1.5 CC1=CC=CC=C1C X108971 [0,0,0,0,0,1|2,0,0]=3 550 B8R1.5 CC1=CC=CC=C1C X108972 [0,0,0,0,0,1|2,0,0]=3 551 B8R1.5 CC1=CC=CC=C1C X117370 [0,0,0,0,0,1|2,0,0]=3 552 B8R1.5 CC1=CC=CC=C1C X117372 [0,0,0,0,0,1|2,0,0]=3 553 B8R1.5 CC1=CC=CC=C1C X119713 [0,0,0,0,0,1|2,0,0]=3 554 B8R1.5 CC1=CC=CC=C1C X128150 [0,0,0,0,0,1|2,0,0]=3 555 B8R1.5 CC1=CC=CC=C1Cl C108163 [0,0,0,0,0,1|2,0,0]=3 556 B8R1.5 CC1=CC=CC=C1Cl C108164 [0,0,0,0,0,1|2,0,0]=3 557 B8R1.5 CC1=CC=CC=C1Cl C108165 [0,0,0,0,0,1|2,0,0]=3 558 B8R1.5 CC1=CC=CC=C1Cl C108168 [0,0,0,0,0,1|2,0,0]=3 559 B8R1.5 CC1=CC=CC=C1F F123653 [0,0,0,0,0,1|2,0,0]=3 560 B8R1.5 CC1=CC=CC=C1I I103584 [0,0,0,0,0,1|2,0,0]=3 561 B8R1.5 CC1=CC=CC=C1N O333989 [0,0,0,0,0,1|2,0,0]=3 562 B8R1.5 CC1=CC=CC=C1N T103926 [0,0,0,0,0,1|2,0,0]=3 563 B8R1.5 CC1=CC=CC=C1N T103927 [0,0,0,0,0,1|2,0,0]=3 564 B8R1.5 CC1=CC=CC=C1N T103928 [0,0,0,0,0,1|2,0,0]=3 565 B8R1.5 CC1=CC=CC=C1O C108231 [0,0,0,0,0,1|1,1,0]=3 566 B8R1.5 CC1=CC=CC=C1O C108233 [0,0,0,0,0,1|1,1,0]=3 567 B8R1.5 CC1=CC=CC=C1O C108234 [0,0,0,0,0,1|1,1,0]=3 568 B8R1.5 CC1=CC=CC=C1O C108235 [0,0,0,0,0,1|1,1,0]=3 569 B8R1.5 CC1=CC=CC=C1O C108236 [0,0,0,0,0,1|1,1,0]=3 570 B8R1.5 CC1=CC=CC=C1S M101295 [0,0,0,0,0,1|1,0,0]=2 571 B8R1.5 CC1=CC=CC=[N+]1N A151482 [0,0,0,0,0,1|3,0,0]=4 572 B8R1.5 CC1=CC=CC=[N+]1[O-] M158853 [0,0,0,0,0,1|2,1,0]=4 573 B8R1.5 CC1=CC=CNC1=O H124768 [0,0,0,0,0,1|1,1,0]=3 574 B8R1.5 CC1=CC=CNC1=S M404770 [0,0,0,0,0,1|1,0,1]=3 575 B8R1.5 CC1=CC=NNC1=O M176158 [0,0,0,0,0,1|2,1,0]=4 576 B8R1.5 CC1=CNC=CC1=O H119394 [0,0,0,0,0,1|1,1,0]=3 577 B8R1.5 CC1=NC=CN=C1C D106292 [0,0,0,0,0,1|2,0,0]=3 578 B8R1.5 CC1=NC=CN=C1Cl C479894 [0,0,0,0,0,1|2,0,0]=3 579 B8R1.5 CC1=NC=CNC1=O H132311 [0,0,0,0,0,1|1,1,0]=3 580 B8R1.5 CC1=NC=NC=C1Br B181501 [0,0,0,0,0,1|2,0,0]=3 581 B8R1.5 CN1C=CC=CC1=O M158822 [0,0,0,0,0,1|2,1,0]=4 582 B8R1.5 C[N+]1=CC=CC=C1Cl C154059 [0,0,0,0,0,1|3,0,0]=4 583 B8R1.5 Oc1ccccc1O C117392 [0,0,0,0,0,1|2,1,0]=4 584 B8R1.5 [CH2-]C1=CC=CC=C1F F169483 [0,0,0,0,0,1|2,0,1]=4 585 B5R0.1 C=CCC(=O)O B152769 [1,0,1,0,0,0|1,0,1]=4 586 B5R0.1 C=CCC(=O)O B152771 [1,0,1,0,0,0|1,0,1]=4 587 B5R0.1 CC(=CC=O)C M158692 [1,0,1,0,0,0|1,0,1]=4 588 B5R0.1 CC(=CCO)C M106454 [1,0,1,0,0,0|1,0,1]=4 589 B5R0.1 CC(=CCO)C M106455 [1,0,1,0,0,0|1,0,1]=4 590 B5R0.1 CC(=O)NC=C N159504 [1,0,1,0,0,0|1,0,1]=4 591 B5R0.1 CC(=O)OC=C P101483 [1,0,1,0,0,0|0,1,0]=3 592 B5R0.1 CC(=O)OC=C P101485 [1,0,1,0,0,0|0,1,0]=3 593 B5R0.1 CC(=O)OC=C P101486 [1,0,1,0,0,0|0,1,0]=3 594 B5R0.1 CC(=O)OC=C P301634 [1,0,1,0,0,0|0,1,0]=3 595 B5R0.1 CC(=O)OC=C P304876 [1,0,1,0,0,0|0,1,0]=3 596 B5R0.1 CC(=O)OC=C P304877 [1,0,1,0,0,0|0,1,0]=3 597 B5R0.1 CC(=O)OC=C P304879 [1,0,1,0,0,0|0,1,0]=3 598 B5R0.1 CC(=O)OC=C P304880 [1,0,1,0,0,0|0,1,0]=3 599 B5R0.1 CC(=O)OC=C P304881 [1,0,1,0,0,0|0,1,0]=3 600 B5R0.1 CC(=O)OC=C P432376 [1,0,1,0,0,0|0,1,0]=3 601 B5R0.1 CC(=O)OC=C P489072 [1,0,1,0,0,0|0,1,0]=3 602 B5R0.1 CC(=O)OC=C V104470 [1,0,1,0,0,0|0,1,0]=3 603 B5R0.1 CC(=O)OC=C V104471 [1,0,1,0,0,0|0,1,0]=3 604 B5R0.1 CC(=O)OC=C V104472 [1,0,1,0,0,0|0,1,0]=3 605 B5R0.1 CC(CC=C)O P160534 [1,0,1,0,0,0|0,0,2]=4 606 B5R0.1 CC(CC=C)O R467366 [1,0,1,0,0,0|0,0,2]=4 607 B5R0.1 CC(CC=C)O S467331 [1,0,1,0,0,0|0,0,2]=4 608 B5R0.1 CC=CC(=O)C P139100 [1,0,1,0,0,0|0,0,2]=4 609 B5R0.1 CC=CC(=O)O C104149 [1,0,1,0,0,0|1,0,1]=4 610 B5R0.1 CC=CC(=O)O C104150 [1,0,1,0,0,0|1,0,1]=4 611 B5R0.2 C=CCOC=C A354946 [1,0,1,0,0,0|0,0,2]=4 612 B5R0.2 CC=CC=CC H113628 [1,0,1,0,0,0|1,0,0]=3 613 B5R0.2 CC=CCC=C H157263 [1,0,1,0,0,0|1,0,1]=4 614 B5R0.2 CC=CCC=C T162375 [1,0,1,0,0,0|1,0,1]=4 615 B5R0.2 CCC=CC=O T161487 [1,0,1,0,0,0|0,0,2]=4 616 B5R0.2 CCC=CCO C153493 [1,0,1,0,0,0|0,0,2]=4 617 B5R0.2 CCC=CCO T299958 [1,0,1,0,0,0|0,0,2]=4 618 B5R0.2 CCOC=CC E122346 [1,0,1,0,0,0|0,0,2]=4 619 B5R0.2 CCOCC=C A151091 [1,0,1,0,0,0|0,0,2]=4 620 B5R0.3 CC=C(C)C=O T161495 [1,0,1,0,0,0|0,1,1]=4 621 B5R0.3 CNC(=O)C=C N189941 [1,0,1,0,0,0|1,1,0]=4 622 B5R0.3 COC(=O)C=C M100029 [1,0,1,0,0,0|1,0,1]=4 623 B5R0.3 COC(=O)C=C M100030 [1,0,1,0,0,0|1,0,1]=4 624 B5R0.3 COC(=O)C=C M100032 [1,0,1,0,0,0|1,0,1]=4 625 B5R0.3 COC(=O)C=C M100033 [1,0,1,0,0,0|1,0,1]=4 626 B5R0.5 C=C(C(=O)O)F F193388 [1,0,1,0,0,0|2,0,0]=4 627 B5R0.5 CC(=C)C(=C)C D155426 [1,0,1,0,0,0|1,0,0]=3 628 B5R0.5 CC(=C)C(=O)C I107938 [1,0,1,0,0,0|0,1,1]=4 629 B5R0.5 CC(=C)C(=O)Cl M109517 [1,0,1,0,0,0|1,1,0]=4 630 B5R0.5 CC(=C)C(=O)Cl M299463 [1,0,1,0,0,0|1,1,0]=4 631 B5R0.5 CC(=C)C(=O)N M104042 [1,0,1,0,0,0|1,1,0]=4 632 B5R0.5 CC(=C)C(=O)O M102640 [1,0,1,0,0,0|1,1,0]=4 633 B5R0.5 CC(=C)C(=O)O M102641 [1,0,1,0,0,0|1,1,0]=4 634 B5R0.5 CC(=C)C(=O)O M102642 [1,0,1,0,0,0|1,1,0]=4 635 B5R0.5 CC(=C)C(=O)O M434201 [1,0,1,0,0,0|1,1,0]=4 636 B5R0.5 CC(=C)C(=O)[O-] C347801 [1,0,1,0,0,0|1,1,0]=4 637 B5R0.5 CC(=C)C(=O)[O-] P304402 [1,0,1,0,0,0|1,1,0]=4 638 B5R0.5 CC(=C)C(=O)[O-] P580750 [1,0,1,0,0,0|1,1,0]=4 639 B5R0.5 CC(=C)C(=O)[O-] S103167 [1,0,1,0,0,0|1,1,0]=4 640 B5R0.5 CC(=C)C(=O)[O-] Z102681 [1,0,1,0,0,0|1,1,0]=4 641 B5R0.5 CC(=C)C(O)=O P477951 [1,0,1,0,0,0|1,1,0]=4 642 B5R1.1 C1=CN=CN1 I108704 [2,0,0,0,0,0|2,0,0]=4 643 B5R1.1 C1=CN=CN1 I108705 [2,0,0,0,0,0|2,0,0]=4 644 B5R1.1 C1=CN=CN1 I108706 [2,0,0,0,0,0|2,0,0]=4 645 B5R1.1 C1=CN=CN1 I108707 [2,0,0,0,0,0|2,0,0]=4 646 B5R1.1 C1=CN=CN1 I119539 [2,0,0,0,0,0|2,0,0]=4 647 B5R1.1 C1=CN=CN1 I120637 [2,0,0,0,0,0|2,0,0]=4 648 B5R1.1 C1=CN=CN1 I157487 [2,0,0,0,0,0|2,0,0]=4 649 B5R1.1 C1=CN=CN1 I157495 [2,0,0,0,0,0|2,0,0]=4 650 B5R1.1 C1=CN=CN1 I423011 [2,0,0,0,0,0|2,0,0]=4 651 B5R1.1 C1=CN=CN1 I432537 [2,0,0,0,0,0|2,0,0]=4 652 B5R1.1 C1=CN=CN1 I432539 [2,0,0,0,0,0|2,0,0]=4 653 B5R1.1 C1=CN=CN1 I432546 [2,0,0,0,0,0|2,0,0]=4 654 B5R1.1 C1=CN=CN1 I485681 [2,0,0,0,0,0|2,0,0]=4 655 B5R1.1 C1=CNC=C1 P104877 [2,0,0,0,0,0|1,0,0]=3 656 B5R1.1 C1=CNC=C1 P104878 [2,0,0,0,0,0|1,0,0]=3 657 B5R1.1 C1=CNC=C1 P104879 [2,0,0,0,0,0|1,0,0]=3 658 B5R1.1 C1=CNC=C1 P476183 [2,0,0,0,0,0|1,0,0]=3 659 B5R1.1 C1=CNC=C1 P476334 [2,0,0,0,0,0|1,0,0]=3 660 B5R1.1 C1=CNN=C1 P100994 [2,0,0,0,0,0|2,0,0]=4 661 B5R1.1 C1=CNN=C1 P423007 [2,0,0,0,0,0|2,0,0]=4 662 B5R1.1 C1=COC=N1 O100893 [2,0,0,0,0,0|1,0,0]=3 663 B5R1.1 C1=CON=C1 I133354 [2,0,0,0,0,0|1,0,0]=3 664 B5R1.1 C1=CSC=C1 T108258 [2,0,0,0,0,0|0,1,0]=3 665 B5R1.1 C1=CSC=C1 T108259 [2,0,0,0,0,0|0,1,0]=3 666 B5R1.1 C1=CSC=N1 T122421 [2,0,0,0,0,0|1,1,0]=4 667 B5R1.1 C1=CSN=C1 I157521 [2,0,0,0,0,0|1,1,0]=4 668 B5R1.1 C1C=CC=[C-]1 B283543 [2,0,0,0,0,0|1,0,1]=4 669 B5R1.1 C1C=CC=[C-]1 H157415 [2,0,0,0,0,0|1,0,1]=4 670 B5R1.1 C1C=CC=[C-]1 T106759 [2,0,0,0,0,0|1,0,1]=4 671 B5R1.1 C1C=CCO1 D101471 [2,0,0,0,0,0|0,0,2]=4 672 B5R1.1 C1COC=C1 D106435 [2,0,0,0,0,0|0,0,2]=4 673 B5R1.1 [CH-]1C=CC=C1 B115565 [2,0,0,0,0,0|1,0,0]=3 674 B5R1.1 [CH-]1C=CC=C1 C113788 [2,0,0,0,0,0|1,0,0]=3 675 B5R1.1 [CH-]1C=CC=C1 C299989 [2,0,0,0,0,0|1,0,0]=3 676 B5R1.1 [CH-]1C=CC=C1 F108389 [2,0,0,0,0,0|1,0,0]=3 677 B5R1.1 [CH-]1C=CC=C1 F108390 [2,0,0,0,0,0|1,0,0]=3 678 B5R1.1 [CH-]1C=CC=C1 T283036 [2,0,0,0,0,0|1,0,0]=3 679 B5R1.1 [CH-]1C=CC=C1 Z103200 [2,0,0,0,0,0|1,0,0]=3 680 B7R0.3 C=CCOC(=O)C=C A151727 [0,1,1,0,0,0|2,0,0]=4 681 B7R0.3 COC=CC(=O)OC M105075 [0,1,1,0,0,0|1,1,0]=4 682 B7R0.3 COC=CC(=O)OC M135197 [0,1,1,0,0,0|1,1,0]=4 683 B7R0.5 CC(=C)C(=O)OC=C V162960 [0,1,1,0,0,0|2,0,0]=4 684 B7R0.7 CC=CC(=O)OC=C V162948 [0,1,1,0,0,0|2,0,0]=4 685 B7R0.1 CCC=CC=CC=O H102914 [0,1,1,0,0,0|1,1,0]=4 686 B7R0.4 CC=CC=CC(=O)C H156931 [0,1,1,0,0,0|1,1,0]=4 687 B7R0.4 CC=CC=CC(=O)O H431430 [0,1,1,0,0,0|1,1,0]=4 688 B7R0.4 CC=CC=CC(=O)O S101106 [0,1,1,0,0,0|1,1,0]=4 689 B7R0.4 CC=CC=CC(=O)O S101108 [0,1,1,0,0,0|1,1,0]=4 690 B7R0.4 CC=CC=CC(=O)O S101109 [0,1,1,0,0,0|1,1,0]=4 691 B7R0.4 CC=CC=CC(=O)O S101111 [0,1,1,0,0,0|1,1,0]=4 692 B7R0.4 CC=CC=CC(=O)O S420601 [0,1,1,0,0,0|1,1,0]=4 693 B7R0.4 CC=CC=CC(=O)[O-] P103845 [0,1,1,0,0,0|1,1,0]=4 694 B7R0.4 CC=CC=CC(=O)[O-] P103846 [0,1,1,0,0,0|1,1,0]=4 695 B7R0.4 CC=CC=CC(=O)[O-] P103847 [0,1,1,0,0,0|1,1,0]=4 696 B7R0.4 CC=CC=CC(=O)[O-] P422842 [0,1,1,0,0,0|1,1,0]=4 697 B7R0.4 CC=CC=CC(=O)[O-] S161310 [0,1,1,0,0,0|1,1,0]=4 698 B7R0.4 CCOC=CC(=O)O E185593 [0,1,1,0,0,0|0,1,1]=4 699 B7R1.1 C#CC1=CC=CS1 E107746 [1,1,0,0,0,0|0,1,1]=4 700 B7R1.1 C#CC1=CSC=C1 E102747 [1,1,0,0,0,0|1,1,0]=4 701 B7R1.1 C1=C(N=CO1)C=O O159993 [1,1,0,0,0,0|1,1,0]=4 702 B7R1.1 C1=C(N=CS1)CCl C137365 [1,1,0,0,0,0|2,0,0]=4 703 B7R1.1 C1=C(NC=N1)CO H113059 [1,1,0,0,0,0|2,0,0]=4 704 B7R1.1 C1=C(NC=N1)CO I137052 [1,1,0,0,0,0|2,0,0]=4 705 B7R1.1 C1=C(NN=C1)CN P115816 [1,1,0,0,0,0|2,0,0]=4 706 B7R1.1 C1=C(SC=N1)CCl C586959 [1,1,0,0,0,0|1,1,0]=4 707 B7R1.1 C1=C(SC=N1)CN T302352 [1,1,0,0,0,0|1,1,0]=4 708 B7R1.1 C1=C(SC=N1)CO T119309 [1,1,0,0,0,0|1,1,0]=4 709 B7R1.1 C1=CC(=C[CH]1)C#N C302322 [1,1,0,0,0,0|2,0,0]=4 710 B7R1.1 C1=CN(N=C1)CO H189712 [1,1,0,0,0,0|2,0,0]=4 711 B7R1.1 C1=CN=C(N1)CN A168767 [1,1,0,0,0,0|2,0,0]=4 712 B7R1.1 C1=CNC(=C1)C#N H134165 [1,1,0,0,0,0|1,0,1]=4 713 B7R1.1 C1=CNC(=C1)C=O P123130 [1,1,0,0,0,0|1,0,1]=4 714 B7R1.1 C1=COC(=C1)C#N F139092 [1,1,0,0,0,0|0,0,1]=3 715 B7R1.1 C1=COC(=C1)C=O F100546 [1,1,0,0,0,0|0,0,1]=3 716 B7R1.1 C1=COC(=C1)C=O F100547 [1,1,0,0,0,0|0,0,1]=3 717 B7R1.1 C1=COC(=C1)C=O F100548 [1,1,0,0,0,0|0,0,1]=3 718 B7R1.1 C1=COC(=C1)C=O F336820 [1,1,0,0,0,0|0,0,1]=3 719 B7R1.1 C1=COC(=C1)CN F111778 [1,1,0,0,0,0|0,0,0]=2 720 B7R1.1 C1=COC(=C1)CN F493732 [1,1,0,0,0,0|0,0,0]=2 721 B7R1.1 C1=COC(=C1)CO F110603 [1,1,0,0,0,0|0,0,0]=2 722 B7R1.1 C1=COC(=C1)CO F110604 [1,1,0,0,0,0|0,0,0]=2 723 B7R1.1 C1=COC(=C1)CS F102900 [1,1,0,0,0,0|0,0,0]=2 724 B7R1.1 C1=COC=C1C#N F469046 [1,1,0,0,0,0|1,0,0]=3 725 B7R1.1 C1=COC=C1C=O F122652 [1,1,0,0,0,0|0,1,0]=3 726 B7R1.1 C1=COC=C1CO F122642 [1,1,0,0,0,0|0,1,0]=3 727 B7R1.1 C1=CSC(=C1)C#N C153351 [1,1,0,0,0,0|0,1,1]=4 728 B7R1.1 C1=CSC(=C1)C=O T107122 [1,1,0,0,0,0|0,1,1]=4 729 B7R1.1 C1=CSC(=C1)CN T107120 [1,1,0,0,0,0|0,1,0]=3 730 B7R1.1 C1=CSC(=C1)CO T162809 [1,1,0,0,0,0|0,1,0]=3 731 B7R1.1 C1=CSC(=C1)CS T134394 [1,1,0,0,0,0|0,1,0]=3 732 B7R1.1 C1=CSC(=N1)CO H157271 [1,1,0,0,0,0|1,1,0]=4 733 B7R1.1 C1=CSC=C1C#N C153346 [1,1,0,0,0,0|1,1,0]=4 734 B7R1.1 C1=CSC=C1C=O T115194 [1,1,0,0,0,0|0,2,0]=4 735 B7R1.1 C1=CSC=C1CBr B192902 [1,1,0,0,0,0|1,1,0]=4 736 B7R1.1 C1=CSC=C1CN T123094 [1,1,0,0,0,0|1,1,0]=4 737 B7R1.1 C1=CSC=C1CN T189819 [1,1,0,0,0,0|1,1,0]=4 738 B7R1.1 C1=CSC=C1CO T115329 [1,1,0,0,0,0|0,2,0]=4 739 B7R1.1 C=CC1=CC=CS1 V305289 [1,1,0,0,0,0|0,1,1]=4 740 B7R1.1 CCC1=CC=CN1 E156214 [1,1,0,0,0,0|1,0,0]=3 741 B7R1.1 CCC1=CC=CO1 E102538 [1,1,0,0,0,0|0,0,0]=2 742 B7R1.1 CCC1=CC=CO1 E141264 [1,1,0,0,0,0|0,0,0]=2 743 B7R1.1 CCC1=CC=CS1 E101589 [1,1,0,0,0,0|0,1,0]=3 744 B7R1.1 CCC1=CC=C[CH-]1 D166828 [1,1,0,0,0,0|1,0,0]=3 745 B7R1.1 CCC1=CN=CN1 E156331 [1,1,0,0,0,0|2,0,0]=4 746 B7R1.1 CCC1=CSC=C1 E156073 [1,1,0,0,0,0|1,1,0]=4 747 B7R1.1 CCC1=NC=CN1 E137989 [1,1,0,0,0,0|2,0,0]=4 748 B7R1.1 CCC1=[C-]CC=C1 B294778 [1,1,0,0,0,0|1,0,1]=4 749 B7R1.1 CCN1C=CC=C1 E156213 [1,1,0,0,0,0|2,0,0]=4 750 B7R1.1 CCN1C=CC=N1 E156393 [1,1,0,0,0,0|2,0,0]=4 751 B7R1.1 COC1=CC=CO1 M158540 [1,1,0,0,0,0|0,0,0]=2 752 B7R1.1 COC1=CC=CS1 M103170 [1,1,0,0,0,0|0,1,0]=3 753 B7R1.1 COC1=CC=NN1 M588136 [1,1,0,0,0,0|2,0,0]=4 754 B7R1.1 COC1=CSC=C1 M103169 [1,1,0,0,0,0|0,2,0]=4 755 B7R1.1 COC1=NC=CS1 M158486 [1,1,0,0,0,0|1,1,0]=4 756 B7R1.1 CSC1=CC=CS1 M123048 [1,1,0,0,0,0|0,1,0]=3 757 B7R1.1 CSC1=NC=CS1 M158485 [1,1,0,0,0,0|1,1,0]=4 758 B7R1.2 C1=C(OC(=C1)Br)Br D154954 [1,1,0,0,0,0|1,0,0]=3 759 B7R1.2 C1=C(SC(=C1)Br)Br D100660 [1,1,0,0,0,0|1,1,0]=4 760 B7R1.2 C1=C(SC(=C1)Br)Cl B153193 [1,1,0,0,0,0|1,1,0]=4 761 B7R1.2 C1=C(SC(=C1)Cl)Cl D101617 [1,1,0,0,0,0|1,1,0]=4 762 B7R1.2 C1=C(SC(=C1)I)I D155849 [1,1,0,0,0,0|1,1,0]=4 763 B7R1.2 C1=C(SC=C1Br)Br D136154 [1,1,0,0,0,0|1,1,0]=4 764 B7R1.2 C1=C(SC=C1Br)Cl B354145 [1,1,0,0,0,0|1,1,0]=4 765 B7R1.2 C1=C([Se]C(=C1)Br)Br D155787 [1,1,0,0,0,0|1,1,0]=4 766 B7R1.2 C1=CC(=O)NC1=O M100788 [1,1,0,0,0,0|2,0,0]=4 767 B7R1.2 C1=CC(=O)NC1=O M424627 [1,1,0,0,0,0|2,0,0]=4 768 B7R1.2 C1=CC(=O)OC1=O M116389 [1,1,0,0,0,0|1,0,0]=3 769 B7R1.2 C1=CC(=O)OC1=O M332470 [1,1,0,0,0,0|1,0,0]=3 770 B7R1.2 C1=CC(=O)OC1=O P134891 [1,1,0,0,0,0|1,0,0]=3 771 B7R1.2 C1=CC(=O)OC1=O P303284 [1,1,0,0,0,0|1,0,0]=3 772 B7R1.2 C1=CC(=O)OC1=O P304899 [1,1,0,0,0,0|1,0,0]=3 773 B7R1.2 C1=CC(=O)OC1=O P434514 [1,1,0,0,0,0|1,0,0]=3 774 B7R1.2 C1=CC(=O)OC1=O P434525 [1,1,0,0,0,0|1,0,0]=3 775 B7R1.2 C1=CC(=O)OC1=O P434526 [1,1,0,0,0,0|1,0,0]=3 776 B7R1.2 C1=CC(=O)OC1=O P493757 [1,1,0,0,0,0|1,0,0]=3 777 B7R1.2 C1=CC(=O)OC1O H302820 [1,1,0,0,0,0|1,0,1]=4 778 B7R1.2 C1C(=CC(=O)O1)O T103765 [1,1,0,0,0,0|0,1,1]=4 779 B7R1.2 C1C(=O)C=CC1=O C356087 [1,1,0,0,0,0|2,0,0]=4 780 B7R1.2 CC1=CC(=CN1)C D123132 [1,1,0,0,0,0|1,0,0]=3 781 B7R1.2 CC1=CC(=CS1)Br B111413 [1,1,0,0,0,0|0,1,0]=3 782 B7R1.2 CC1=CC(=CS1)C D304246 [1,1,0,0,0,0|0,1,0]=3 783 B7R1.2 CC1=CC(=NN1)C D139167 [1,1,0,0,0,0|2,0,0]=4 784 B7R1.2 CC1=CC(=NN1)N A151511 [1,1,0,0,0,0|2,0,0]=4 785 B7R1.2 CC1=CC(=NO1)C D122898 [1,1,0,0,0,0|1,0,0]=3 786 B7R1.2 CC1=CC(=NO1)N A151654 [1,1,0,0,0,0|1,0,0]=3 787 B7R1.2 CC1=CC(=O)CC1 M109537 [1,1,0,0,0,0|1,0,1]=4 788 B7R1.2 CC1=CC(=O)NN1 M133849 [1,1,0,0,0,0|2,0,0]=4 789 B7R1.2 CC1=CC(=O)NO1 BWY397355 [1,1,0,0,0,0|1,0,0]=3 790 B7R1.2 CC1=CC(=O)NO1 BWY397369 [1,1,0,0,0,0|1,0,0]=3 791 B7R1.2 CC1=CC(=O)NO1 BWY397380 [1,1,0,0,0,0|1,0,0]=3 792 B7R1.2 CC1=CC(=O)NO1 H109938 [1,1,0,0,0,0|1,0,0]=3 793 B7R1.2 CC1=CC(=O)NO1 H140830 [1,1,0,0,0,0|1,0,0]=3 794 B7R1.2 CC1=CC(=O)OC1 M158202 [1,1,0,0,0,0|1,0,1]=4 795 B7R1.2 CC1=CC=C(N1)C D113404 [1,1,0,0,0,0|1,0,0]=3 796 B7R1.2 CC1=CC=C(O1)C D113405 [1,1,0,0,0,0|0,0,0]=2 797 B7R1.2 CC1=CC=C(S1)Br B101591 [1,1,0,0,0,0|0,1,0]=3 798 B7R1.2 CC1=CC=C(S1)C D155809 [1,1,0,0,0,0|0,1,0]=3 799 B7R1.2 CC1=CC=C(S1)Cl C153324 [1,1,0,0,0,0|0,1,0]=3 800 B7R1.2 CC1=CC=C(S1)I I101863 [1,1,0,0,0,0|0,1,0]=3 801 B7R1.2 CC1=CCC(=O)O1 A151155 [1,1,0,0,0,0|0,0,1]=3 802 B7R1.2 CC1=CCC(=O)O1 A433012 [1,1,0,0,0,0|0,0,1]=3 803 B7R1.2 CC1=CN=C(N1)C D139451 [1,1,0,0,0,0|2,0,0]=4 804 B7R1.2 CC1=CN=C(S1)Br B152756 [1,1,0,0,0,0|1,1,0]=4 805 B7R1.2 CC1=CN=C(S1)N A102155 [1,1,0,0,0,0|1,1,0]=4 806 B7R1.2 CC1=COC(=N1)C D139217 [1,1,0,0,0,0|1,0,0]=3 807 B7R1.2 CC1=COC(=N1)N M588855 [1,1,0,0,0,0|2,0,0]=4 808 B7R1.2 CC1=CSC(=C1)Br B153082 [1,1,0,0,0,0|1,1,0]=4 809 B7R1.2 CC1=CSC(=N1)Br B123638 [1,1,0,0,0,0|2,0,0]=4 810 B7R1.2 CC1=CSC(=N1)C D119299 [1,1,0,0,0,0|1,1,0]=4 811 B7R1.2 CC1=CSC(=N1)N A151202 [1,1,0,0,0,0|2,0,0]=4 812 B7R1.2 CC1=CSC(=N1)N A167666 [1,1,0,0,0,0|2,0,0]=4 813 B7R1.2 CC1=CSC(=S)N1 M345336 [1,1,0,0,0,0|2,0,0]=4 814 B7R1.2 CC1=NC(=CS1)Br B176047 [1,1,0,0,0,0|1,1,0]=4 815 B7R1.2 CC1=NC(=NO1)N M170183 [1,1,0,0,0,0|2,0,0]=4 816 B7R1.2 CC1=NC=C(N1)Br B181890 [1,1,0,0,0,0|2,0,0]=4 817 B7R1.2 CC1=NC=C(S1)Br B344998 [1,1,0,0,0,0|1,1,0]=4 818 B7R1.2 CC1=NN(C=C1)C D154769 [1,1,0,0,0,0|2,0,0]=4 819 B7R1.2 CC1=NN=C(O1)Br B590400 [1,1,0,0,0,0|2,0,0]=4 820 B7R1.2 CC1=NN=C(O1)N M193769 [1,1,0,0,0,0|2,0,0]=4 821 B7R1.2 CC1=NOC(=C1)N A151656 [1,1,0,0,0,0|2,0,0]=4 822 B7R1.2 CC1=NSC(=C1)N A119078 [1,1,0,0,0,0|2,0,0]=4 823 B7R1.2 CN1C=C(C=N1)Br B122572 [1,1,0,0,0,0|2,0,0]=4 824 B7R1.2 CN1C=C(C=N1)I I115817 [1,1,0,0,0,0|2,0,0]=4 825 B7R1.2 CN1C=C(C=N1)N M173173 [1,1,0,0,0,0|2,0,0]=4 826 B7R1.2 CN1C=C(C=N1)O M590179 [1,1,0,0,0,0|2,0,0]=4 827 B7R1.2 CN1C=CC(=N1)Br B122406 [1,1,0,0,0,0|2,0,0]=4 828 B7R1.2 CN1C=CC(=N1)I I195872 [1,1,0,0,0,0|2,0,0]=4 829 B7R1.2 CN1C=CC(=N1)N A103123 [1,1,0,0,0,0|2,0,0]=4 830 B7R1.2 CN1C=CC(=O)N1 M193770 [1,1,0,0,0,0|2,0,0]=4 831 B9R1.2 C1=CC(=CC(=C1)Br)CBr B135903 [0,1,0,0,0,1|2,0,0]=4 832 B9R1.2 C1=CC(=CC(=C1)Br)CCl B139457 [0,1,0,0,0,1|2,0,0]=4 833 B9R1.2 C1=CC(=CC(=C1)Br)CN B131936 [0,1,0,0,0,1|2,0,0]=4 834 B9R1.2 C1=CC(=CC(=C1)Br)CN B136310 [0,1,0,0,0,1|2,0,0]=4 835 B9R1.2 C1=CC(=CC(=C1)Br)CO B103188 [0,1,0,0,0,1|2,0,0]=4 836 B9R1.2 C1=CC(=CC(=C1)Cl)CBr C106489 [0,1,0,0,0,1|2,0,0]=4 837 B9R1.2 C1=CC(=CC(=C1)Cl)CCl C189170 [0,1,0,0,0,1|2,0,0]=4 838 B9R1.2 C1=CC(=CC(=C1)Cl)CN C135515 [0,1,0,0,0,1|2,0,0]=4 839 B9R1.2 C1=CC(=CC(=C1)Cl)CO C106488 [0,1,0,0,0,1|2,0,0]=4 840 B9R1.2 C1=CC(=CC(=C1)F)CBr F107112 [0,1,0,0,0,1|2,0,0]=4 841 B9R1.2 C1=CC(=CC(=C1)F)CCl F123352 [0,1,0,0,0,1|2,0,0]=4 842 B9R1.2 C1=CC(=CC(=C1)F)CN F107964 [0,1,0,0,0,1|2,0,0]=4 843 B9R1.2 C1=CC(=CC(=C1)F)CO F156601 [0,1,0,0,0,1|2,0,0]=4 844 B9R1.2 C1=CC(=CC(=C1)I)CBr I133459 [0,1,0,0,0,1|2,0,0]=4 845 B9R1.2 C1=CC(=CC(=C1)I)CN I113819 [0,1,0,0,0,1|2,0,0]=4 846 B9R1.2 C1=CC(=CC(=C1)I)CN I468184 [0,1,0,0,0,1|2,0,0]=4 847 B9R1.2 C1=CC(=CC(=C1)I)CO I157442 [0,1,0,0,0,1|2,0,0]=4 848 B9R1.2 C1=CC(=CC(=C1)N)CN A151635 [0,1,0,0,0,1|2,0,0]=4 849 B9R1.2 C1=CC(=CC(=C1)N)CO A151125 [0,1,0,0,0,1|2,0,0]=4 850 B9R1.2 C1=CC(=CC(=C1)O)CN H407384 [0,1,0,0,0,1|1,1,0]=4 851 B9R1.2 C1=CC(=CC(=C1)O)CO H137304 [0,1,0,0,0,1|1,1,0]=4 852 B9R1.2 C1=CC(=CC(=C1)O)CO H501150 [0,1,0,0,0,1|1,1,0]=4 853 B9R1.2 C1=CC(=NC(=C1)Br)CBr B186803 [0,1,0,0,0,1|2,0,0]=4 854 B9R1.2 C1=CC(=NC(=C1)Br)CN B191781 [0,1,0,0,0,1|2,0,0]=4 855 B9R1.2 C1=CC(=NC(=C1)Br)CN B195815 [0,1,0,0,0,1|2,0,0]=4 856 B9R1.2 C1=CC(=NC(=C1)Br)CO B115778 [0,1,0,0,0,1|2,0,0]=4 857 B9R1.2 C1=CC(=NC(=C1)Cl)CO C183811 [0,1,0,0,0,1|2,0,0]=4 858 B9R1.2 C1=CC(=NC(=C1)N)CO A120737 [0,1,0,0,0,1|2,0,0]=4 859 B9R1.2 C1=CN=C(C=C1Br)CN B177735 [0,1,0,0,0,1|2,0,0]=4 860 B9R1.2 C1=CN=C(C=C1Cl)CCl C189999 [0,1,0,0,0,1|2,0,0]=4 861 B9R1.2 C1=CN=C(C=C1Cl)CN C175147 [0,1,0,0,0,1|2,0,0]=4 862 B9R1.2 CC1=CC(=CC=C1)C#C E107733 [0,1,0,0,0,1|2,0,0]=4 863 B9R1.2 CC1=CC(=CC=C1)C#N T100294 [0,1,0,0,0,1|2,0,0]=4 864 B9R1.2 CC1=CC(=CC=C1)C=C M158347 [0,1,0,0,0,1|2,0,0]=4 865 B9R1.2 CC1=CC(=CC=C1)C=O M157831 [0,1,0,0,0,1|1,1,0]=4 866 B9R1.2 CC1=CC(=CC=C1)CBr B405679 [0,1,0,0,0,1|2,0,0]=4 867 B9R1.2 CC1=CC(=CC=C1)CCl M101677 [0,1,0,0,0,1|2,0,0]=4 868 B9R1.2 CC1=CC(=CC=C1)CN M158668 [0,1,0,0,0,1|2,0,0]=4 869 B9R1.2 CC1=CC(=CC=C1)CO M157904 [0,1,0,0,0,1|1,1,0]=4 870 B9R1.2 CC1=CC(=CC=C1)CS M588442 [0,1,0,0,0,1|1,0,0]=3 871 B9R1.2 CC1=CC(=CC=C1)NC M107962 [0,1,0,0,0,1|2,0,0]=4 872 B9R1.2 CC1=CC(=CC=C1)NN T101274 [0,1,0,0,0,1|2,0,0]=4 873 B9R1.2 CC1=CC(=CC=C1)OC M158111 [0,1,0,0,0,1|1,1,0]=4 874 B9R1.2 CC1=CC(=CC=C1)SC M351262 [0,1,0,0,0,1|1,0,0]=3 875 B9R1.2 CC1=CC(=NC=C1)CN M586928 [0,1,0,0,0,1|2,0,0]=4 876 B9R1.2 CC1=CC(=NC=C1)CN M588861 [0,1,0,0,0,1|2,0,0]=4 877 B9R1.2 CC1=CC(=NC=C1)OC M122668 [0,1,0,0,0,1|2,0,0]=4 878 B9R1.2 CC1=NC(=CC=C1)C#N C107723 [0,1,0,0,0,1|2,0,0]=4 879 B9R1.2 CC1=NC(=CC=C1)C=O M101568 [0,1,0,0,0,1|1,1,0]=4 880 B9R1.2 CC1=NC(=CC=C1)CBr B589873 [0,1,0,0,0,1|2,0,0]=4 881 B9R1.2 CC1=NC(=CC=C1)CCl C405541 [0,1,0,0,0,1|2,0,0]=4 882 B9R1.2 CC1=NC(=CC=C1)CN M194459 [0,1,0,0,0,1|2,0,0]=4 883 B9R1.2 CC1=NC(=CC=C1)CO M115780 [0,1,0,0,0,1|1,1,0]=4 884 B9R1.2 CC1=NC(=CC=C1)OC M108062 [0,1,0,0,0,1|1,1,0]=4 885 B9R1.2 CC1=NC(=NC=C1)SC M124713 [0,1,0,0,0,1|2,0,0]=4 886 B9R1.2 CC1=NC=CC(=C1)CO M573438 [0,1,0,0,0,1|1,1,0]=4 887 B9R1.2 CC1=NC=CC(=C1)OC M183081 [0,1,0,0,0,1|1,1,0]=4 888 B9R1.2 CCC1=CC(=CC=C1)Br B101889 [0,1,0,0,0,1|2,0,0]=4 889 B9R1.2 CCC1=CC(=CC=C1)Cl C589677 [0,1,0,0,0,1|2,0,0]=4 890 B9R1.2 CCC1=CC(=CC=C1)I E587883 [0,1,0,0,0,1|2,0,0]=4 891 B9R1.2 CCC1=CC(=CC=C1)N E101873 [0,1,0,0,0,1|2,0,0]=4 892 B9R1.2 CCC1=CC(=CC=C1)O E156226 [0,1,0,0,0,1|1,1,0]=4 893 B9R1.2 CCC1=CC=CC(=C1)C E113367 [0,1,0,0,0,1|2,0,0]=4 894 B9R1.2 CNC1=CC(=CC=C1)Br B194483 [0,1,0,0,0,1|2,0,0]=4 895 B9R1.2 CNC1=CC(=CC=C1)Cl C153906 [0,1,0,0,0,1|2,0,0]=4 896 B9R1.2 CNC1=CC(=CC=C1)F F168315 [0,1,0,0,0,1|2,0,0]=4 897 B9R1.2 CNC1=CC(=CC=C1)O M587311 [0,1,0,0,0,1|1,1,0]=4 898 B9R1.2 CNC1=NC(=CC=C1)Cl C195623 [0,1,0,0,0,1|2,0,0]=4 899 B9R1.2 COC1=CC(=CC=C1)Br B100846 [0,1,0,0,0,1|2,0,0]=4 900 B9R1.2 COC1=CC(=CC=C1)Cl C106486 [0,1,0,0,0,1|2,0,0]=4 901 B9R1.2 COC1=CC(=CC=C1)F F120587 [0,1,0,0,0,1|2,0,0]=4 902 B9R1.2 COC1=CC(=CC=C1)I I123674 [0,1,0,0,0,1|2,0,0]=4 903 B9R1.2 COC1=CC(=CC=C1)S M101779 [0,1,0,0,0,1|1,0,0]=3 904 B9R1.2 COC1=CC=CC(=C1)N A107482 [0,1,0,0,0,1|2,0,0]=4 905 B9R1.2 COC1=CC=CC(=C1)O M109432 [0,1,0,0,0,1|1,1,0]=4 906 B9R1.2 COC1=CC=CC(=C1)[CH2-] M300737 [0,1,0,0,0,1|2,0,0]=4 907 B9R1.2 COC1=CC=CC(=N1)N A119397 [0,1,0,0,0,1|2,0,0]=4 908 B9R1.2 COC1=NC(=CC=C1)Br B115753 [0,1,0,0,0,1|2,0,0]=4 909 B9R1.2 COC1=NC(=CC=C1)Cl C115751 [0,1,0,0,0,1|2,0,0]=4 910 B9R1.2 COC1=NC(=CC=C1)F F179764 [0,1,0,0,0,1|2,0,0]=4 911 B9R1.2 COC1=NC(=CC=C1)I I168070 [0,1,0,0,0,1|2,0,0]=4 912 B9R1.2 COC1=NC=CC(=C1)Br B178692 [0,1,0,0,0,1|2,0,0]=4 913 B9R1.2 COC1=NC=CC(=C1)Cl C186239 [0,1,0,0,0,1|2,0,0]=4 914 B9R1.2 COC1=NC=CC(=C1)N M119976 [0,1,0,0,0,1|2,0,0]=4 915 B9R1.2 COC1=NC=CC(=N1)N M176143 [0,1,0,0,0,1|2,0,0]=4 916 B9R1.2 CSC1=CC(=CC=C1)Br B101842 [0,1,0,0,0,1|2,0,0]=4 917 B9R1.2 CSC1=CC(=CC=C1)Cl C101839 [0,1,0,0,0,1|2,0,0]=4 918 B9R1.2 CSC1=CC=CC(=C1)F F156685 [0,1,0,0,0,1|2,0,0]=4 919 B9R1.2 CSC1=CC=CC(=C1)N M101834 [0,1,0,0,0,1|2,0,0]=4 920 B9R1.2 CSC1=NC=CC(=N1)Cl C123212 [0,1,0,0,0,1|2,0,0]=4 921 B9R1.2 CSC1=NC=CC(=N1)N W135362 [0,1,0,0,0,1|2,0,0]=4 922 B9R1.2 CSC1=NC=CC(=O)N1 M139019 [0,1,0,0,0,1|1,1,0]=4 923 B9R1.3 C1=CC(=C(C(=C1)Cl)Cl)S D101768 [0,1,0,0,0,1|2,0,0]=4 924 B9R1.3 CC1=C(C(=CC=C1)Br)C B101911 [0,1,0,0,0,1|2,0,0]=4 925 B9R1.3 CC1=C(C(=CC=C1)Br)Cl B188911 [0,1,0,0,0,1|2,0,0]=4 926 B9R1.3 CC1=C(C(=CC=C1)Br)F B120733 [0,1,0,0,0,1|2,0,0]=4 927 B9R1.3 CC1=C(C(=CC=C1)Br)I B195439 [0,1,0,0,0,1|2,0,0]=4 928 B9R1.3 CC1=C(C(=CC=C1)Br)N B589399 [0,1,0,0,0,1|2,0,0]=4 929 B9R1.3 CC1=C(C(=CC=C1)Br)O B152683 [0,1,0,0,0,1|2,0,0]=4 930 B9R1.3 CC1=C(C(=CC=C1)C)Br B104490 [0,1,0,0,0,1|2,0,0]=4 931 B9R1.3 CC1=C(C(=CC=C1)C)C T109305 [0,1,0,0,0,1|2,0,0]=4 932 B9R1.3 CC1=C(C(=CC=C1)C)C T109306 [0,1,0,0,0,1|2,0,0]=4 933 B9R1.3 CC1=C(C(=CC=C1)C)Cl C123661 [0,1,0,0,0,1|2,0,0]=4 934 B9R1.3 CC1=C(C(=CC=C1)C)F F122688 [0,1,0,0,0,1|2,0,0]=4 935 B9R1.3 CC1=C(C(=CC=C1)C)I I100573 [0,1,0,0,0,1|2,0,0]=4 936 B9R1.3 CC1=C(C(=CC=C1)C)N D105633 [0,1,0,0,0,1|2,0,0]=4 937 B9R1.3 CC1=C(C(=CC=C1)C)N D105634 [0,1,0,0,0,1|2,0,0]=4 938 B9R1.3 CC1=C(C(=CC=C1)C)N D154322 [0,1,0,0,0,1|2,0,0]=4 939 B9R1.3 CC1=C(C(=CC=C1)C)O D104339 [0,1,0,0,0,1|2,0,0]=4 940 B9R1.3 CC1=C(C(=CC=C1)C)O D104340 [0,1,0,0,0,1|2,0,0]=4 941 B9R1.3 CC1=C(C(=CC=C1)C)O D104341 [0,1,0,0,0,1|2,0,0]=4 942 B9R1.3 CC1=C(C(=CC=C1)C)S D103093 [0,1,0,0,0,1|2,0,0]=4 943 B9R1.3 CC1=C(C(=CC=C1)Cl)Br B186055 [0,1,0,0,0,1|2,0,0]=4 944 B9R1.3 CC1=C(C(=CC=C1)Cl)C C123664 [0,1,0,0,0,1|2,0,0]=4 945 B9R1.3 CC1=C(C(=CC=C1)Cl)Cl D113530 [0,1,0,0,0,1|2,0,0]=4 946 B9R1.3 CC1=C(C(=CC=C1)Cl)Cl D113531 [0,1,0,0,0,1|2,0,0]=4 947 B9R1.3 CC1=C(C(=CC=C1)Cl)I C405512 [0,1,0,0,0,1|2,0,0]=4 948 B9R1.3 CC1=C(C(=CC=C1)Cl)N C136919 [0,1,0,0,0,1|2,0,0]=4 949 B9R1.3 CC1=C(C(=CC=C1)Cl)O C134880 [0,1,0,0,0,1|2,0,0]=4 950 B9R1.3 CC1=C(C(=CC=C1)F)Br B123575 [0,1,0,0,0,1|2,0,0]=4 951 B9R1.3 CC1=C(C(=CC=C1)F)C F122684 [0,1,0,0,0,1|2,0,0]=4 952 B9R1.3 CC1=C(C(=CC=C1)F)F D120695 [0,1,0,0,0,1|2,0,0]=4 953 B9R1.3 CC1=C(C(=CC=C1)F)N F120703 [0,1,0,0,0,1|2,0,0]=4 954 B9R1.3 CC1=C(C(=CC=C1)I)C I123659 [0,1,0,0,0,1|2,0,0]=4 955 B9R1.3 CC1=C(C(=CC=C1)N)Br B124234 [0,1,0,0,0,1|2,0,0]=4 956 B9R1.3 CC1=C(C(=CC=C1)N)C D107663 [0,1,0,0,0,1|2,0,0]=4 957 B9R1.3 CC1=C(C(=CC=C1)N)C D154700 [0,1,0,0,0,1|2,0,0]=4 958 B9R1.3 CC1=C(C(=CC=C1)N)Cl C588592 [0,1,0,0,0,1|2,0,0]=4 959 B9R1.3 CC1=C(C(=CC=C1)N)F F120700 [0,1,0,0,0,1|2,0,0]=4 960 B9R1.3 CC1=C(C(=CC=C1)N)I I590627 [0,1,0,0,0,1|2,0,0]=4 961 B9R1.3 CC1=C(C(=CC=C1)N)N D122777 [0,1,0,0,0,1|2,0,0]=4 962 B9R1.3 CC1=C(C(=CC=C1)N)O A121702 [0,1,0,0,0,1|2,0,0]=4 963 B9R1.3 CC1=C(C(=CC=C1)O)Br B182885 [0,1,0,0,0,1|1,1,0]=4 964 B9R1.3 CC1=C(C(=CC=C1)O)C D104325 [0,1,0,0,0,1|1,1,0]=4 965 B9R1.3 CC1=C(C(=CC=C1)O)C D104326 [0,1,0,0,0,1|1,1,0]=4 966 B9R1.3 CC1=C(C(=CC=C1)O)C D117386 [0,1,0,0,0,1|1,1,0]=4 967 B9R1.3 CC1=C(C(=CC=C1)O)F F358560 [0,1,0,0,0,1|1,1,0]=4 968 B9R1.3 CC1=C(C(=CC=C1)O)N A151257 [0,1,0,0,0,1|1,1,0]=4 969 B9R1.3 CC1=C(C(=CC=C1)O)O M124478 [0,1,0,0,0,1|1,1,0]=4 970 B9R1.3 CC1=C(C(=O)C=CO1)O M107518 [0,1,0,0,0,1|0,1,0]=3 971 B9R1.3 CC1=C(C(=O)C=CO1)O M420823 [0,1,0,0,0,1|0,1,0]=3 972 B9R1.3 CC1=C(C(=O)C=CO1)[O-] B341886 [0,1,0,0,0,1|0,1,0]=3 973 B9R1.3 CC1=NC=CC(=C1F)Br B586620 [0,1,0,0,0,1|2,0,0]=4 974 B9R1.3 CC1=[N+](C(=CC=C1)C)[O-] L123095 [0,1,0,0,0,1|2,0,0]=4 975 B9R1.34 C1=C(C=C(C=C1Cl)Cl)S D101771 [0,1,0,0,0,1|2,0,0]=4 976 B9R1.34 C1=C(C=C(C=C1F)S)F D590898 [0,1,0,0,0,1|2,0,0]=4 977 B9R1.34 CC1=CC(=CC(=C1)Br)Br D123551 [0,1,0,0,0,1|2,0,0]=4 978 B9R1.34 CC1=CC(=CC(=C1)Br)C B106980 [0,1,0,0,0,1|2,0,0]=4 979 B9R1.34 CC1=CC(=CC(=C1)Br)F B123571 [0,1,0,0,0,1|2,0,0]=4 980 B9R1.34 CC1=CC(=CC(=C1)Br)N B137355 [0,1,0,0,0,1|2,0,0]=4 981 B9R1.34 CC1=CC(=CC(=C1)Br)O B186360 [0,1,0,0,0,1|1,1,0]=4 982 B9R1.34 CC1=CC(=CC(=C1)C)C D124686 [0,1,0,0,0,1|2,0,0]=4 983 B9R1.34 CC1=CC(=CC(=C1)C)C M472043 [0,1,0,0,0,1|2,0,0]=4 984 B9R1.34 CC1=CC(=CC(=C1)C)C T105012 [0,1,0,0,0,1|2,0,0]=4 985 B9R1.34 CC1=CC(=CC(=C1)C)C T105015 [0,1,0,0,0,1|2,0,0]=4 986 B9R1.34 CC1=CC(=CC(=C1)C)C T123871 [0,1,0,0,0,1|2,0,0]=4 987 B9R1.34 CC1=CC(=CC(=C1)C)C T139982 [0,1,0,0,0,1|2,0,0]=4 988 B9R1.34 CC1=CC(=CC(=C1)C)C T140692 [0,1,0,0,0,1|2,0,0]=4 989 B9R1.34 CC1=CC(=CC(=C1)C)C T140693 [0,1,0,0,0,1|2,0,0]=4 990 B9R1.34 CC1=CC(=CC(=C1)Cl)N C183467 [0,1,0,0,0,1|2,0,0]=4 991 B9R1.34 CC1=CC(=CC(=C1)F)C F122689 [0,1,0,0,0,1|2,0,0]=4 992 B9R1.34 CC1=CC(=CC(=C1)F)F D189894 [0,1,0,0,0,1|2,0,0]=4 993 B9R1.34 CC1=CC(=CC(=C1)F)N F184957 [0,1,0,0,0,1|2,0,0]=4 994 B9R1.34 CC1=CC(=CC(=C1)F)O F332427 [0,1,0,0,0,1|1,1,0]=4 995 B9R1.34 CC1=CC(=CC(=C1)I)C I123656 [0,1,0,0,0,1|2,0,0]=4 996 B9R1.34 CC1=CC(=CC(=C1)I)F F122781 [0,1,0,0,0,1|2,0,0]=4 997 B9R1.34 CC1=CC(=CC(=C1)O)C D106360 [0,1,0,0,0,1|1,1,0]=4 998 B9R1.34 CC1=CC(=CC(=C1)O)C D106361 [0,1,0,0,0,1|1,1,0]=4 999 B9R1.34 CC1=CC(=CC(=C1)O)N A194971 [0,1,0,0,0,1|1,1,0]=4 1000 B9R1.34 CC1=CC(=CC(=C1)O)O D112666 [0,1,0,0,0,1|1,1,0]=4 1001 B9R1.34 CC1=CC(=CC(=C1)O)O D424340 [0,1,0,0,0,1|1,1,0]=4 1002 B9R1.34 CC1=CC(=CC(=C1)O)O O100406 [0,1,0,0,0,1|1,1,0]=4 1003 B9R1.34 CC1=CC(=CC(=C1)S)C D101802 [0,1,0,0,0,1|1,0,0]=3 1004 B9R1.34 CC1=CC(=CC(=N1)Br)Br D590192 [0,1,0,0,0,1|2,0,0]=4 1005 B9R1.34 CC1=CC(=CC(=N1)C)Br W133463 [0,1,0,0,0,1|2,0,0]=4 1006 B9R1.34 CC1=CC(=CC(=N1)C)Cl C183933 [0,1,0,0,0,1|2,0,0]=4 1007 B9R1.34 CC1=CC(=CC(=N1)C)N A138719 [0,1,0,0,0,1|2,0,0]=4 1008 B9R1.34 CC1=CC(=CC(=N1)Cl)Cl D170314 [0,1,0,0,0,1|2,0,0]=4 1009 B9R1.34 CC1=CC(=CC(=N1)N)Br B589364 [0,1,0,0,0,1|2,0,0]=4 1010 B9R1.34 CC1=CC(=CC(=N1)N)Cl A184035 [0,1,0,0,0,1|2,0,0]=4 1011 B9R1.34 CC1=CC(=CC(=O)N1)O D154391 [0,1,0,0,0,1|1,1,0]=4 1012 B9R1.34 CC1=CC(=CC(=O)O1)O H118325 [0,1,0,0,0,1|0,1,0]=3 1013 B9R1.34 CC1=CC(=NC(=C1)Br)C B184756 [0,1,0,0,0,1|2,0,0]=4 1014 B9R1.34 CC1=CC(=NC(=C1)C)C T108942 [0,1,0,0,0,1|2,0,0]=4 1015 B9R1.34 CC1=CC(=NC(=C1)Cl)C C183580 [0,1,0,0,0,1|2,0,0]=4 1016 B9R1.34 CC1=CC(=NC(=C1)N)C A123441 [0,1,0,0,0,1|2,0,0]=4 1017 B9R1.34 CC1=CC(=NC(=N1)C)N A151326 [0,1,0,0,0,1|2,0,0]=4 1018 B9R1.34 CC1=CC(=O)C=C(N1)C D138177 [0,1,0,0,0,1|1,1,0]=4 1019 B9R1.34 CC1=CC(=O)C=C(O1)C D107654 [0,1,0,0,0,1|0,1,0]=3 1020 B9R1.34 CC1=CC(=O)NC(=N1)C H139154 [0,1,0,0,0,1|1,1,0]=4 1021 B9R1.34 CC1=CC(=[C-]C(=C1)C)C M466136 [0,1,0,0,0,1|2,0,0]=4 1022 B9R1.34 CC1=CC(=[O+]C(=C1)C)C T162518 [0,1,0,0,0,1|1,0,1]=4 1023 B9R1.34 CC1=NC(=CC(=N1)Cl)Cl D102943 [0,1,0,0,0,1|2,0,0]=4 1024 B9R1.34 CC1=NC(=CC(=O)N1)Cl C167948 [0,1,0,0,0,1|1,1,0]=4 1025 B9R1.34 CC1=NC(=CC(=O)N1)N A151324 [0,1,0,0,0,1|1,1,0]=4 1026 B9R1.34 CC1=NC(=CC(=O)N1)O D123504 [0,1,0,0,0,1|1,1,0]=4 1027 B9R1.34 CC1=NC(=CC(=O)N1)O M190000 [0,1,0,0,0,1|1,1,0]=4 1028 B9R1.34 Cc1cc(C)cc(O)c1 D117390 [0,1,0,0,0,1|1,1,0]=4 1029 B9R1.69 C1=CC(=C(C=C1Cl)S)Cl D101770 [0,1,0,0,0,1|2,0,0]=4 1030 B9R1.69 C1=CC(=C(C=C1Cl)S)N A183043 [0,1,0,0,0,1|2,0,0]=4 1031 B9R1.69 C1=CC(=C(C=C1S)Cl)Cl D155420 [0,1,0,0,0,1|2,0,0]=4 1032 B9R1.69 C1=CC(=C(C=C1S)F)F D101763 [0,1,0,0,0,1|2,0,0]=4 1033 B9R1.69 CC1=C(C=C(C=C1)Br)C B101675 [0,1,0,0,0,1|2,0,0]=4 1034 B9R1.69 CC1=C(C=C(C=C1)Br)C B101676 [0,1,0,0,0,1|2,0,0]=4 1035 B9R1.69 CC1=C(C=C(C=C1)Cl)C C113569 [0,1,0,0,0,1|2,0,0]=4 1036 B9R1.69 CC1=C(C=C(C=C1)F)C F124479 [0,1,0,0,0,1|2,0,0]=4 1037 B9R1.69 CC1=C(C=C(C=C1)I)C D123657 [0,1,0,0,0,1|2,0,0]=4 1038 B9R1.69 CC1=C(C=C(C=C1)N)C D113394 [0,1,0,0,0,1|2,0,0]=4 1039 B9R1.69 CC1=C(C=C(C=C1)O)C D104347 [0,1,0,0,0,1|1,1,0]=4 1040 B9R1.69 CC1=C(C=C(C=C1)O)C D117389 [0,1,0,0,0,1|1,1,0]=4 1041 B9R1.69 CC1=C(C=CC(=C1)Br)Br D123558 [0,1,0,0,0,1|2,0,0]=4 1042 B9R1.69 CC1=C(C=CC(=C1)Br)Cl B100861 [0,1,0,0,0,1|2,0,0]=4 1043 B9R1.69 CC1=C(C=CC(=C1)Br)F B120752 [0,1,0,0,0,1|2,0,0]=4 1044 B9R1.69 CC1=C(C=CC(=C1)Br)I B138065 [0,1,0,0,0,1|2,0,0]=4 1045 B9R1.69 CC1=C(C=CC(=C1)Br)N B100843 [0,1,0,0,0,1|2,0,0]=4 1046 B9R1.69 CC1=C(C=CC(=C1)Br)O B122703 [0,1,0,0,0,1|2,0,0]=4 1047 B9R1.69 CC1=C(C=CC(=C1)Cl)Br B131978 [0,1,0,0,0,1|2,0,0]=4 1048 B9R1.69 CC1=C(C=CC(=C1)Cl)Cl D113532 [0,1,0,0,0,1|2,0,0]=4 1049 B9R1.69 CC1=C(C=CC(=C1)Cl)Cl D113533 [0,1,0,0,0,1|2,0,0]=4 1050 B9R1.69 CC1=C(C=CC(=C1)Cl)F C120762 [0,1,0,0,0,1|2,0,0]=4 1051 B9R1.69 CC1=C(C=CC(=C1)Cl)I C136132 [0,1,0,0,0,1|2,0,0]=4 1052 B9R1.69 CC1=C(C=CC(=C1)Cl)N C111298 [0,1,0,0,0,1|2,0,0]=4 1053 B9R1.69 CC1=C(C=CC(=C1)Cl)N C111299 [0,1,0,0,0,1|2,0,0]=4 1054 B9R1.69 CC1=C(C=CC(=C1)Cl)N C153905 [0,1,0,0,0,1|2,0,0]=4 1055 B9R1.69 CC1=C(C=CC(=C1)Cl)O C153523 [0,1,0,0,0,1|2,0,0]=4 1056 B9R1.69 CC1=C(C=CC(=C1)F)Br B120723 [0,1,0,0,0,1|2,0,0]=4 1057 B9R1.69 CC1=C(C=CC(=C1)F)Cl C133805 [0,1,0,0,0,1|2,0,0]=4 1058 B9R1.69 CC1=C(C=CC(=C1)F)F D120698 [0,1,0,0,0,1|2,0,0]=4 1059 B9R1.69 CC1=C(C=CC(=C1)F)I F185888 [0,1,0,0,0,1|2,0,0]=4 1060 B9R1.69 CC1=C(C=CC(=C1)F)N F120709 [0,1,0,0,0,1|2,0,0]=4 1061 B9R1.69 CC1=C(C=CC(=C1)F)O F120816 [0,1,0,0,0,1|2,0,0]=4 1062 B9R1.69 CC1=C(C=CC(=C1)I)Br B132710 [0,1,0,0,0,1|2,0,0]=4 1063 B9R1.69 CC1=C(C=CC(=C1)I)Cl C166182 [0,1,0,0,0,1|2,0,0]=4 1064 B9R1.69 CC1=C(C=CC(=C1)I)F F122779 [0,1,0,0,0,1|2,0,0]=4 1065 B9R1.69 CC1=C(C=CC(=C1)I)N I111882 [0,1,0,0,0,1|2,0,0]=4 1066 B9R1.69 CC1=C(C=CC(=C1)I)O I343177 [0,1,0,0,0,1|2,0,0]=4 1067 B9R1.69 CC1=C(C=CC(=C1)N)Br B134726 [0,1,0,0,0,1|2,0,0]=4 1068 B9R1.69 CC1=C(C=CC(=C1)N)Cl C133999 [0,1,0,0,0,1|2,0,0]=4 1069 B9R1.69 CC1=C(C=CC(=C1)N)F F120715 [0,1,0,0,0,1|2,0,0]=4 1070 B9R1.69 CC1=C(C=CC(=C1)N)I I590928 [0,1,0,0,0,1|2,0,0]=4 1071 B9R1.69 CC1=C(C=CC(=C1)N)N D121697 [0,1,0,0,0,1|2,0,0]=4 1072 B9R1.69 CC1=C(C=CC(=C1)N)N D154484 [0,1,0,0,0,1|2,0,0]=4 1073 B9R1.69 CC1=C(C=CC(=C1)O)Br B124282 [0,1,0,0,0,1|1,1,0]=4 1074 B9R1.69 CC1=C(C=CC(=C1)O)Cl C103588 [0,1,0,0,0,1|1,1,0]=4 1075 B9R1.69 CC1=C(C=CC(=C1)O)Cl C103589 [0,1,0,0,0,1|1,1,0]=4 1076 B9R1.69 CC1=C(C=CC(=C1)O)Cl C128189 [0,1,0,0,0,1|1,1,0]=4 1077 B9R1.69 CC1=C(C=CC(=C1)O)F F120819 [0,1,0,0,0,1|1,1,0]=4 1078 B9R1.69 CC1=C(C=CC(=C1)O)I I181231 [0,1,0,0,0,1|1,1,0]=4 1079 B9R1.69 CC1=C(C=CC(=C1)O)N A121773 [0,1,0,0,0,1|1,1,0]=4 1080 B9R1.69 CC1=C(C=CC(=C1)O)O M109541 [0,1,0,0,0,1|1,1,0]=4 1081 B9R1.69 CC1=C(C=CC(=N1)Br)Br W134958 [0,1,0,0,0,1|2,0,0]=4 1082 B9R1.69 CC1=C(C=CC(=N1)Br)F B184106 [0,1,0,0,0,1|2,0,0]=4 1083 B9R1.69 CC1=C(C=CC(=N1)Br)N A151749 [0,1,0,0,0,1|2,0,0]=4 1084 B9R1.69 CC1=C(C=CC(=N1)Br)O B189928 [0,1,0,0,0,1|2,0,0]=4 1085 B9R1.69 CC1=C(C=CC(=N1)Cl)Br B151865 [0,1,0,0,0,1|2,0,0]=4 1086 B9R1.69 CC1=C(C=CC(=N1)Cl)F C187646 [0,1,0,0,0,1|2,0,0]=4 1087 B9R1.69 CC1=C(C=CC(=N1)Cl)N A137489 [0,1,0,0,0,1|2,0,0]=4 1088 B9R1.69 CC1=C(C=CC(=N1)Cl)O C588169 [0,1,0,0,0,1|2,0,0]=4 1089 B9R1.69 CC1=C(C=CC(=N1)F)Br B184112 [0,1,0,0,0,1|2,0,0]=4 1090 B9R1.69 CC1=C(C=CC(=N1)N)Br A101193 [0,1,0,0,0,1|2,0,0]=4 1091 B9R1.69 CC1=C(C=CC(=N1)N)Cl W134135 [0,1,0,0,0,1|2,0,0]=4 1092 B9R1.69 CC1=C(C=CC(=N1)N)I I139241 [0,1,0,0,0,1|2,0,0]=4 1093 B9R1.69 CC1=C(C=CC(=O)N1)Br B135980 [0,1,0,0,0,1|1,1,0]=4 1094 B9R1.69 CC1=C(C=CC(=O)N1)I I195885 [0,1,0,0,0,1|1,1,0]=4 1095 B9R1.69 CC1=C(N=C(C=C1)N)C A406933 [0,1,0,0,0,1|2,0,0]=4 1096 B9R1.69 CC1=CC(=C(C=C1)Br)Br D123553 [0,1,0,0,0,1|2,0,0]=4 1097 B9R1.69 CC1=CC(=C(C=C1)Br)C B101634 [0,1,0,0,0,1|2,0,0]=4 1098 B9R1.69 CC1=CC(=C(C=C1)Br)Cl B185889 [0,1,0,0,0,1|2,0,0]=4 1099 B9R1.69 CC1=CC(=C(C=C1)Br)F B120751 [0,1,0,0,0,1|2,0,0]=4 1100 B9R1.69 CC1=CC(=C(C=C1)Br)I B195363 [0,1,0,0,0,1|2,0,0]=4 1101 B9R1.69 CC1=CC(=C(C=C1)Br)N W136366 [0,1,0,0,0,1|2,0,0]=4 1102 B9R1.69 CC1=CC(=C(C=C1)Br)O D302938 [0,1,0,0,0,1|1,1,0]=4 1103 B9R1.69 CC1=CC(=C(C=C1)C)Br D107975 [0,1,0,0,0,1|2,0,0]=4 1104 B9R1.69 CC1=CC(=C(C=C1)C)C T110885 [0,1,0,0,0,1|2,0,0]=4 1105 B9R1.69 CC1=CC(=C(C=C1)C)C T110887 [0,1,0,0,0,1|2,0,0]=4 1106 B9R1.69 CC1=CC(=C(C=C1)C)C T110888 [0,1,0,0,0,1|2,0,0]=4 1107 B9R1.69 CC1=CC(=C(C=C1)C)C T128160 [0,1,0,0,0,1|2,0,0]=4 1108 B9R1.69 CC1=CC(=C(C=C1)C)Cl C122701 [0,1,0,0,0,1|2,0,0]=4 1109 B9R1.69 CC1=CC(=C(C=C1)C)F F186090 [0,1,0,0,0,1|2,0,0]=4 1110 B9R1.69 CC1=CC(=C(C=C1)C)N D106348 [0,1,0,0,0,1|2,0,0]=4 1111 B9R1.69 CC1=CC(=C(C=C1)C)O D104331 [0,1,0,0,0,1|1,1,0]=4 1112 B9R1.69 CC1=CC(=C(C=C1)C)O D104332 [0,1,0,0,0,1|1,1,0]=4 1113 B9R1.69 CC1=CC(=C(C=C1)C)O D117388 [0,1,0,0,0,1|1,1,0]=4 1114 B9R1.69 CC1=CC(=C(C=C1)C)S D101775 [0,1,0,0,0,1|1,0,0]=3 1115 B9R1.69 CC1=CC(=C(C=C1)Cl)Br B185302 [0,1,0,0,0,1|2,0,0]=4 1116 B9R1.69 CC1=CC(=C(C=C1)Cl)C C405487 [0,1,0,0,0,1|2,0,0]=4 1117 B9R1.69 CC1=CC(=C(C=C1)Cl)Cl D100626 [0,1,0,0,0,1|2,0,0]=4 1118 B9R1.69 CC1=CC(=C(C=C1)Cl)Cl D100627 [0,1,0,0,0,1|2,0,0]=4 1119 B9R1.69 CC1=CC(=C(C=C1)Cl)F C121012 [0,1,0,0,0,1|2,0,0]=4 1120 B9R1.69 CC1=CC(=C(C=C1)Cl)N C153907 [0,1,0,0,0,1|2,0,0]=4 1121 B9R1.69 CC1=CC(=C(C=C1)Cl)O C153524 [0,1,0,0,0,1|1,1,0]=4 1122 B9R1.69 CC1=CC(=C(C=C1)F)Br B120742 [0,1,0,0,0,1|2,0,0]=4 1123 B9R1.69 CC1=CC(=C(C=C1)F)Cl C181666 [0,1,0,0,0,1|2,0,0]=4 1124 B9R1.69 CC1=CC(=C(C=C1)F)F D120699 [0,1,0,0,0,1|2,0,0]=4 1125 B9R1.69 CC1=CC(=C(C=C1)F)I F122783 [0,1,0,0,0,1|2,0,0]=4 1126 B9R1.69 CC1=CC(=C(C=C1)F)N F113848 [0,1,0,0,0,1|2,0,0]=4 1127 B9R1.69 CC1=CC(=C(C=C1)F)O F124272 [0,1,0,0,0,1|1,1,0]=4 1128 B9R1.69 CC1=CC(=C(C=C1)I)Br B186225 [0,1,0,0,0,1|2,0,0]=4 1129 B9R1.69 CC1=CC(=C(C=C1)I)C I157574 [0,1,0,0,0,1|2,0,0]=4 1130 B9R1.69 CC1=CC(=C(C=C1)I)F W134166 [0,1,0,0,0,1|2,0,0]=4 1131 B9R1.69 CC1=CC(=C(C=C1)I)N I181158 [0,1,0,0,0,1|2,0,0]=4 1132 B9R1.69 CC1=CC(=C(C=C1)N)Br B139034 [0,1,0,0,0,1|2,0,0]=4 1133 B9R1.69 CC1=CC(=C(C=C1)N)C D105631 [0,1,0,0,0,1|2,0,0]=4 1134 B9R1.69 CC1=CC(=C(C=C1)N)C D105632 [0,1,0,0,0,1|2,0,0]=4 1135 B9R1.69 CC1=CC(=C(C=C1)N)C D154317 [0,1,0,0,0,1|2,0,0]=4 1136 B9R1.69 CC1=CC(=C(C=C1)N)Cl C133948 [0,1,0,0,0,1|2,0,0]=4 1137 B9R1.69 CC1=CC(=C(C=C1)N)F F120702 [0,1,0,0,0,1|2,0,0]=4 1138 B9R1.69 CC1=CC(=C(C=C1)N)I I183480 [0,1,0,0,0,1|2,0,0]=4 1139 B9R1.69 CC1=CC(=C(C=C1)N)N D106442 [0,1,0,0,0,1|2,0,0]=4 1140 B9R1.69 CC1=CC(=C(C=C1)N)N D106444 [0,1,0,0,0,1|2,0,0]=4 1141 B9R1.69 CC1=CC(=C(C=C1)N)O A121774 [0,1,0,0,0,1|1,1,0]=4 1142 B9R1.69 CC1=CC(=C(C=C1)O)Br B124659 [0,1,0,0,0,1|2,0,0]=4 1143 B9R1.69 CC1=CC(=C(C=C1)O)Br B141113 [0,1,0,0,0,1|2,0,0]=4 1144 B9R1.69 CC1=CC(=C(C=C1)O)C D112715 [0,1,0,0,0,1|2,0,0]=4 1145 B9R1.69 CC1=CC(=C(C=C1)O)C D117387 [0,1,0,0,0,1|2,0,0]=4 1146 B9R1.69 CC1=CC(=C(C=C1)O)C D472061 [0,1,0,0,0,1|2,0,0]=4 1147 B9R1.69 CC1=CC(=C(C=C1)O)Cl C134527 [0,1,0,0,0,1|2,0,0]=4 1148 B9R1.69 CC1=CC(=C(C=C1)O)F F133446 [0,1,0,0,0,1|2,0,0]=4 1149 B9R1.69 CC1=CC(=C(C=C1)O)I I305091 [0,1,0,0,0,1|2,0,0]=4 1150 B9R1.69 CC1=CC(=C(C=C1)O)N A107257 [0,1,0,0,0,1|2,0,0]=4 1151 B9R1.69 CC1=CC(=C(C=C1)O)O M108038 [0,1,0,0,0,1|1,1,0]=4 1152 B9R1.69 CC1=CC(=C(C=C1)S)C D101774 [0,1,0,0,0,1|2,0,0]=4 1153 B9R1.69 CC1=CC(=C(C=C1)S)S T113451 [0,1,0,0,0,1|1,0,0]=3 1154 B9R1.69 CC1=CC(=C(C=N1)Br)N A586241 [0,1,0,0,0,1|2,0,0]=4 1155 B9R1.69 CC1=CC(=C(C=N1)Cl)Br B586612 [0,1,0,0,0,1|2,0,0]=4 1156 B9R1.69 CC1=CC(=C(C=N1)O)Br B586814 [0,1,0,0,0,1|2,0,0]=4 1157 B9R1.69 CC1=CC(=O)C=CC1=O I135188 [0,1,0,0,0,1|1,1,0]=4 1158 B9R1.69 CC1=CC(=[N+](C=C1)[O-])C D404346 [0,1,0,0,0,1|2,0,0]=4 1159 B9R1.69 CC1=CC=C(C(=O)N1)Br B184103 [0,1,0,0,0,1|1,1,0]=4 1160 B9R1.69 CC1=CN=C(N=C1Cl)C C479451 [0,1,0,0,0,1|2,0,0]=4 1161 B9R1.69 CC1=NC(=C(C=C1)Br)Br D491558 [0,1,0,0,0,1|2,0,0]=4 1162 B9R1.69 CC1=NC(=C(C=C1)Br)C B138700 [0,1,0,0,0,1|2,0,0]=4 1163 B9R1.69 CC1=NC(=C(C=C1)Br)Cl B587814 [0,1,0,0,0,1|2,0,0]=4 1164 B9R1.69 CC1=NC(=C(C=C1)Br)N A120782 [0,1,0,0,0,1|2,0,0]=4 1165 B9R1.69 CC1=NC(=C(C=C1)Cl)Br B586619 [0,1,0,0,0,1|2,0,0]=4 1166 B9R1.69 CC1=NC(=C(C=C1)Cl)Cl D185160 [0,1,0,0,0,1|2,0,0]=4 1167 B9R1.69 CC1=NC(=C(C=C1)F)Br B169985 [0,1,0,0,0,1|2,0,0]=4 1168 B9R1.69 CC1=NC(=C(C=C1)F)Cl C184102 [0,1,0,0,0,1|2,0,0]=4 1169 B9R1.69 CC1=NC(=C(C=C1)N)Br A180939 [0,1,0,0,0,1|2,0,0]=4 1170 B9R1.69 CC1=NC(=C(C=C1)N)C A121811 [0,1,0,0,0,1|2,0,0]=4 1171 B9R1.69 CC1=NC(=C(C=C1)N)Cl A588986 [0,1,0,0,0,1|2,0,0]=4 1172 B9R1.69 CC1=NC(=C(C=C1)O)Br B183008 [0,1,0,0,0,1|2,0,0]=4 1173 B9R1.69 CC1=NC(=C(C=C1)O)I H121812 [0,1,0,0,0,1|2,0,0]=4 1174 B9R1.69 CC1=NC(=C(C=C1)O)N A191936 [0,1,0,0,0,1|2,0,0]=4 1175 B9R1.69 CC1=NC=C(C(=O)N1)Br B181969 [0,1,0,0,0,1|1,1,0]=4 1176 B9R1.15 C1=CC(=C(N=C1)Br)CBr B123443 [0,1,0,0,0,1|2,0,0]=4 1177 B9R1.15 C1=CC(=C(N=C1)Br)CO B151848 [0,1,0,0,0,1|2,0,0]=4 1178 B9R1.15 C1=CC(=C(N=C1)CCl)Br B180455 [0,1,0,0,0,1|2,0,0]=4 1179 B9R1.15 C1=CC(=C(N=C1)CO)Br B184967 [0,1,0,0,0,1|2,0,0]=4 1180 B9R1.15 C1=CC(=C(N=C1)CO)F F176083 [0,1,0,0,0,1|2,0,0]=4 1181 B9R1.15 C1=CC(=C(N=C1)Cl)CO C154080 [0,1,0,0,0,1|2,0,0]=4 1182 B9R1.15 C1=CC(=C(N=C1)N)CO A119400 [0,1,0,0,0,1|2,0,0]=4 1183 B9R1.15 C1=CC=C(C(=C1)CBr)Br B124758 [0,1,0,0,0,1|2,0,0]=4 1184 B9R1.15 C1=CC=C(C(=C1)CBr)Cl C135217 [0,1,0,0,0,1|2,0,0]=4 1185 B9R1.15 C1=CC=C(C(=C1)CBr)F F107111 [0,1,0,0,0,1|2,0,0]=4 1186 B9R1.15 C1=CC=C(C(=C1)CBr)I I101707 [0,1,0,0,0,1|2,0,0]=4 1187 B9R1.15 C1=CC=C(C(=C1)CBr)I I131028 [0,1,0,0,0,1|2,0,0]=4 1188 B9R1.15 C1=CC=C(C(=C1)CCl)Cl C136424 [0,1,0,0,0,1|2,0,0]=4 1189 B9R1.15 C1=CC=C(C(=C1)CCl)F F104448 [0,1,0,0,0,1|2,0,0]=4 1190 B9R1.15 C1=CC=C(C(=C1)CCl)I I472524 [0,1,0,0,0,1|2,0,0]=4 1191 B9R1.15 C1=CC=C(C(=C1)CN)Br B136382 [0,1,0,0,0,1|2,0,0]=4 1192 B9R1.15 C1=CC=C(C(=C1)CN)Br B184269 [0,1,0,0,0,1|2,0,0]=4 1193 B9R1.15 C1=CC=C(C(=C1)CN)Cl C100661 [0,1,0,0,0,1|2,0,0]=4 1194 B9R1.15 C1=CC=C(C(=C1)CN)Cl C298505 [0,1,0,0,0,1|2,0,0]=4 1195 B9R1.15 C1=CC=C(C(=C1)CN)F F122768 [0,1,0,0,0,1|2,0,0]=4 1196 B9R1.15 C1=CC=C(C(=C1)CN)O A195905 [0,1,0,0,0,1|1,1,0]=4 1197 B9R1.15 C1=CC=C(C(=C1)CO)Br B135325 [0,1,0,0,0,1|2,0,0]=4 1198 B9R1.15 C1=CC=C(C(=C1)CO)Cl C101747 [0,1,0,0,0,1|2,0,0]=4 1199 B9R1.15 C1=CC=C(C(=C1)CO)F F156600 [0,1,0,0,0,1|2,0,0]=4 1200 B9R1.15 C1=CC=C(C(=C1)CO)I I157441 [0,1,0,0,0,1|2,0,0]=4 1201 B9R1.15 C1=CC=C(C(=C1)CO)N A151122 [0,1,0,0,0,1|2,0,0]=4 1202 B9R1.15 C1=CC=C(C(=C1)CO)O H106789 [0,1,0,0,0,1|1,1,0]=4 1203 B9R1.15 C1=CC=C(C(=C1)CO)O H426756 [0,1,0,0,0,1|1,1,0]=4 1204 B9R1.15 C1=CC=C(C(=C1)CS)Br B101794 [0,1,0,0,0,1|2,0,0]=4 1205 B9R1.15 C1=CC=C(C(=C1)CS)Cl C101788 [0,1,0,0,0,1|2,0,0]=4 1206 B9R1.15 C1=CN=CC(=C1CO)Br B132477 [0,1,0,0,0,1|2,0,0]=4 1207 B9R1.15 C1=CN=CC(=C1CO)F F177786 [0,1,0,0,0,1|2,0,0]=4 1208 B9R1.15 C1=CN=CC(=C1CO)N A167487 [0,1,0,0,0,1|2,0,0]=4 1209 B9R1.15 C1=CN=CC(=C1Cl)CO C587861 [0,1,0,0,0,1|2,0,0]=4 1210 B9R1.15 C1=CN=CC(=C1N)CO A167140 [0,1,0,0,0,1|2,0,0]=4 1211 B9R1.15 C1=CNC(=O)C(=C1)CO H176459 [0,1,0,0,0,1|1,1,0]=4 1212 B9R1.15 CC1=C(C=CC=N1)C#N M174953 [0,1,0,0,0,1|2,0,0]=4 1213 B9R1.15 CC1=C(C=CC=N1)C=O M176904 [0,1,0,0,0,1|1,1,0]=4 1214 B9R1.15 CC1=C(C=CC=N1)CO W136400 [0,1,0,0,0,1|1,1,0]=4 1215 B9R1.15 CC1=C(C=NC=C1)C#N C135007 [0,1,0,0,0,1|2,0,0]=4 1216 B9R1.15 CC1=C(N=CC=C1)C#N C108042 [0,1,0,0,0,1|2,0,0]=4 1217 B9R1.15 CC1=C(N=CC=C1)C=O M120655 [0,1,0,0,0,1|1,1,0]=4 1218 B9R1.15 CC1=C(N=CC=C1)CN A482619 [0,1,0,0,0,1|2,0,0]=4 1219 B9R1.15 CC1=CC=CC=C1C#C E117998 [0,1,0,0,0,1|2,0,0]=4 1220 B9R1.15 CC1=CC=CC=C1C#N T103037 [0,1,0,0,0,1|2,0,0]=4 1221 B9R1.15 CC1=CC=CC=C1C=C M100795 [0,1,0,0,0,1|2,0,0]=4 1222 B9R1.15 CC1=CC=CC=C1C=O O159892 [0,1,0,0,0,1|1,1,0]=4 1223 B9R1.15 CC1=CC=CC=C1CBr M139409 [0,1,0,0,0,1|2,0,0]=4 1224 B9R1.15 CC1=CC=CC=C1CCl M101671 [0,1,0,0,0,1|2,0,0]=4 1225 B9R1.15 CC1=CC=CC=C1CN M158667 [0,1,0,0,0,1|2,0,0]=4 1226 B9R1.15 CC1=CC=CC=C1CO M157901 [0,1,0,0,0,1|1,1,0]=4 1227 B9R1.15 CC1=CC=CC=C1CS M300495 [0,1,0,0,0,1|1,0,0]=3 1228 B9R1.15 CC1=CC=CC=C1NC N159021 [0,1,0,0,0,1|2,0,0]=4 1229 B9R1.15 CC1=CC=CC=C1NN T101278 [0,1,0,0,0,1|2,0,0]=4 1230 B9R1.15 CC1=CC=CC=C1OC M158113 [0,1,0,0,0,1|1,1,0]=4 1231 B9R1.15 CC1=NC=CN=C1CO M174600 [0,1,0,0,0,1|1,1,0]=4 1232 B9R1.15 CC1=NC=CN=C1OC M102551 [0,1,0,0,0,1|1,1,0]=4 1233 B9R1.15 CC1=NC=CN=C1SC M102553 [0,1,0,0,0,1|1,0,0]=3 1234 B9R1.15 CCC1=CC=CC=C1Br B138432 [0,1,0,0,0,1|2,0,0]=4 1235 B9R1.15 CCC1=CC=CC=C1C E140581 [0,1,0,0,0,1|2,0,0]=4 1236 B9R1.15 CCC1=CC=CC=C1I E189052 [0,1,0,0,0,1|2,0,0]=4 1237 B9R1.15 CCC1=CC=CC=C1N E106226 [0,1,0,0,0,1|2,0,0]=4 1238 B9R1.15 CCC1=CC=CC=C1O E156225 [0,1,0,0,0,1|1,1,0]=4 1239 B9R1.15 CCC1=CC=CC=C1S E101792 [0,1,0,0,0,1|1,0,0]=3 1240 B9R1.15 CCC1=NC=CN=C1C E105685 [0,1,0,0,0,1|2,0,0]=4 1241 B9R1.15 CCC1=NC=NC=C1F E173725 [0,1,0,0,0,1|2,0,0]=4 1242 B9R1.15 CNC1=C(C=CC=N1)N N589280 [0,1,0,0,0,1|2,0,0]=4 1243 B9R1.15 CNC1=CC=CC=C1Br B186004 [0,1,0,0,0,1|2,0,0]=4 1244 B9R1.15 CNC1=CC=CC=C1Cl C153908 [0,1,0,0,0,1|2,0,0]=4 1245 B9R1.15 CNC1=CC=CC=C1F F132815 [0,1,0,0,0,1|2,0,0]=4 1246 B9R1.15 CNC1=CC=CC=C1N I134172 [0,1,0,0,0,1|2,0,0]=4 1247 B9R1.15 CNC1=CC=CC=C1N M106013 [0,1,0,0,0,1|2,0,0]=4 1248 B9R1.15 CNC1=CC=CC=C1O M194184 [0,1,0,0,0,1|1,1,0]=4 1249 B9R1.15 COC1=C(C=CC=N1)Br B120788 [0,1,0,0,0,1|2,0,0]=4 1250 B9R1.15 COC1=C(C=CC=N1)Cl C153781 [0,1,0,0,0,1|2,0,0]=4 1251 B9R1.15 COC1=C(C=CC=N1)F F195529 [0,1,0,0,0,1|2,0,0]=4 1252 B9R1.15 COC1=C(C=CC=N1)I l102600 [0,1,0,0,0,1|2,0,0]=4 1253 B9R1.15 COC1=C(C=CC=N1)N M102591 [0,1,0,0,0,1|2,0,0]=4 1254 B9R1.15 COC1=C(C=CC=N1)O M587025 [0,1,0,0,0,1|1,1,0]=4 1255 B9R1.15 COC1=C(C=NC=C1)I I195672 [0,1,0,0,0,1|2,0,0]=4 1256 B9R1.15 COC1=C(C=NC=C1)N A192813 [0,1,0,0,0,1|2,0,0]=4 1257 B9R1.15 COC1=C(N=CC=C1)Br B120786 [0,1,0,0,0,1|2,0,0]=4 1258 B9R1.15 COC1=C(N=CC=C1)Cl C135954 [0,1,0,0,0,1|2,0,0]=4 1259 B9R1.15 COC1=C(N=CC=C1)F F191342 [0,1,0,0,0,1|2,0,0]=4 1260 B9R1.15 COC1=C(N=CC=C1)N A165482 [0,1,0,0,0,1|2,0,0]=4 1261 B9R1.15 COC1=CC=CC=C1Br B109257 [0,1,0,0,0,1|2,0,0]=4 1262 B9R1.15 COC1=CC=CC=C1Cl C110652 [0,1,0,0,0,1|2,0,0]=4 1263 B9R1.15 COC1=CC=CC=C1F F120586 [0,1,0,0,0,1|2,0,0]=4 1264 B9R1.15 COC1=CC=CC=C1I I101929 [0,1,0,0,0,1|2,0,0]=4 1265 B9R1.15 COC1=CC=CC=C1N A103995 [0,1,0,0,0,1|2,0,0]=4 1266 B9R1.15 COC1=CC=CC=C1N A103997 [0,1,0,0,0,1|2,0,0]=4 1267 B9R1.15 COC1=CC=CC=C1N A141230 [0,1,0,0,0,1|2,0,0]=4 1268 B9R1.15 COC1=CC=CC=C1N O160024 [0,1,0,0,0,1|2,0,0]=4 1269 B9R1.15 COC1=CC=CC=C1O G112735 [0,1,0,0,0,1|1,1,0]=4 1270 B9R1.15 COC1=CC=CC=C1O G426764 [0,1,0,0,0,1|1,1,0]=4 1271 B9R1.15 COC1=CC=CC=C1S M101778 [0,1,0,0,0,1|1,0,0]=3 1272 B9R1.15 COC1=CC=CNC1=O M168513 [0,1,0,0,0,1|1,1,0]=4 1273 B9R1.15 COC1=NC=CN=C1Cl C193237 [0,1,0,0,0,1|2,0,0]=4 1274 B9R1.15 COC1=NC=CN=C1N M589216 [0,1,0,0,0,1|2,0,0]=4 1275 B9R1.15 CSC1=CC=CC=C1Br B101843 [0,1,0,0,0,1|2,0,0]=4 1276 B9R1.15 CSC1=CC=CC=C1Cl C101838 [0,1,0,0,0,1|2,0,0]=4 1277 B9R1.15 CSC1=CC=CC=C1F F101836 [0,1,0,0,0,1|2,0,0]=4 1278 B9R1.15 CSC1=CC=CC=C1N M158418 [0,1,0,0,0,1|2,0,0]=4 1279 B9R1.15 CSC1=CC=CC=C1O M101847 [0,1,0,0,0,1|1,1,0]=4 1280 B9R1.14 COC1=C(OC=C1)C=O M303443 [0,2,0,0,0,0|0,1,1]=4 1281 B9R1.22 C1=C(C(=CBr)OC1=O)Br F287587 [0,2,0,0,0,0|1,0,1]=4 1282 B9R1.22 CC1=C(OC(=O)O1)CCl C102025 [0,2,0,0,0,0|2,0,0]=4 1283 B9R1.22 CC1=C(OC(=O)O1)CO H195820 [0,2,0,0,0,0|1,1,0]=4 1284 B9R1.22 CC1=CC(=C(N1)C)C=O D478848 [0,2,0,0,0,0|1,1,0]=4 1285 B9R1.27 CC1=C(C(=NO1)C)C=O D135008 [0,2,0,0,0,0|1,1,0]=4 1286 B9R1.27 CC1=C(C(=NO1)C)CCl C111821 [0,2,0,0,0,0|2,0,0]=4 1287 B9R1.27 CCC1=C(NC=C1C)C E123131 [0,2,0,0,0,0|2,0,0]=4 1288 B9R1.33 CCOC1=C(N=CO1)C E193596 [0,2,0,0,0,0|2,0,0]=4 1289 B9R1.41 B(C1=C(SC=C1)C)(O)O M587700 [0,2,0,0,0,0|0,2,0]=4 1290 B9R1.41 C1=COC(=C1C(=O)O)Br B168316 [0,2,0,0,0,0|1,1,0]=4 1291 B9R1.41 CC(=O)C1=C(C=CS1)Br A170327 [0,2,0,0,0,0|1,1,0]=4 1292 B9R1.41 CC1=C(C=CN1)C(=O)O M169971 [0,2,0,0,0,0|1,1,0]=4 1293 B9R1.41 CC1=C(C=CO1)C(=O)O M420052 [0,2,0,0,0,0|0,1,0]=3 1294 B9R1.41 CC1=C(C=NO1)C(=O)O M101982 [0,2,0,0,0,0|1,1,0]=4 1295 B9R1.41 CC1=C(OC=C1)C(=O)Cl M168768 [0,2,0,0,0,0|1,0,1]=4 1296 B9R1.41 CC1=C(OC=C1)C(=O)O M158537 [0,2,0,0,0,0|1,0,1]=4 1297 B9R1.41 CC1=C(SC=C1)C(=O)C A167103 [0,2,0,0,0,0|1,1,0]=4 1298 B9R1.23 CC1=C(C=C(S1)C=O)Br B588613 [0,2,0,0,0,0|1,1,0]=4 1299 B9R1.37 C1(=C(C(=O)OC1=O)Br)Br D189717 [0,2,0,0,0,0|2,0,0]=4 1300 B9R1.37 C1(=C(C(=O)OC1=O)Cl)Cl D133210 [0,2,0,0,0,0|2,0,0]=4 1301 B9R1.37 CC1=C(C(=C(C1)C)C)C T170299 [0,2,0,0,0,0|2,0,0]=4 1302 B9R1.37 CC1=C(C(=O)OC1=O)C D103047 [0,2,0,0,0,0|2,0,0]=4 1303 B9R1.37 CC1C(=C(C(=O)O1)O)C D120038 [0,2,0,0,0,0|1,0,1]=4 1304 B9R1.37 CC1C(=C(C(=O)O1)O)C D120039 [0,2,0,0,0,0|1,0,1]=4 1305 B9R1.37 CC1C(=C(C(=O)O1)O)C D120040 [0,2,0,0,0,0|1,0,1]=4 1306 B9R1.37 CC1C(=C(C(=O)O1)O)C D120041 [0,2,0,0,0,0|1,0,1]=4 1307 B9R1.37 CC1C(=O)C(=C(O1)C)O F118422 [0,2,0,0,0,0|0,1,1]=4 1308 B7R1.3 C1=CC(=O)OC=C1 A136345 [0,0,1,1,0,0|2,0,0]=4 1309 B7R1.3 C1=COC=CC1=O H157137 [0,0,1,1,0,0|0,1,1]=4 1310 B7R1.3 CC1=CC=CC=C1 T102274 [0,0,1,1,0,0|2,0,0]=4 1311 B7R1.3 CC1=CC=CC=C1 T102275 [0,0,1,1,0,0|2,0,0]=4 1312 B7R1.3 CC1=CC=CC=C1 T102276 [0,0,1,1,0,0|2,0,0]=4 1313 B7R1.3 CC1=CC=CC=C1 T399619 [0,0,1,1,0,0|2,0,0]=4 1314 B7R1.3 CC1=CC=CC=C1 T399633 [0,0,1,1,0,0|2,0,0]=4 1315 B7R1.3 CC1=CC=CC=C1 T399640 [0,0,1,1,0,0|2,0,0]=4 1316 B7R1.3 CC1=CC=CC=C1 T399643 [0,0,1,1,0,0|2,0,0]=4 1317 B7R1.3 CC1=CC=CC=C1 T399652 [0,0,1,1,0,0|2,0,0]=4 1318 B7R1.3 CC1=CC=CC=C1 T399677 [0,0,1,1,0,0|2,0,0]=4 1319 B7R1.3 CC1=CC=CC=C1 T399681 [0,0,1,1,0,0|2,0,0]=4 1320 B7R1.3 CC1=CC=CC=N1 M108694 [0,0,1,1,0,0|2,0,0]=4 1321 B7R1.3 CC1=CC=CC=N1 M108695 [0,0,1,1,0,0|2,0,0]=4 1322 B7R1.3 CC1=CC=CC=N1 P122349 [0,0,1,1,0,0|2,0,0]=4 1323 B7R1.3 CC1=CCC=CC1 M113652 [0,0,1,1,0,0|2,0,0]=4 1324 B7R1.3 CC1=CN=CC=C1 P109209 [0,0,1,1,0,0|2,0,0]=4 1325 B7R1.3 CC1=CN=CC=C1 P109210 [0,0,1,1,0,0|2,0,0]=4 1326 B7R1.3 CC1=NC=CN=C1 M158369 [0,0,1,1,0,0|2,0,0]=4 1327 B7R1.3 Cc1ccccn1 M141144 [0,0,1,1,0,0|2,0,0]=4 1328 B7R1.24 C1C=CC=CC=C1 C135183 [0,0,1,1,0,0|2,0,0]=4 1329 B7R1.24 C1C=CC=CC=C1 C282631 [0,0,1,1,0,0|2,0,0]=4 1330 B9R2.50 C1CC2=CC=CC=C21 B107638 [0,0,0,1,0,1|2,0,0]=4 1331 B9R2.3 C1=CSC2=C1SC=C2 T119992 [0,1,0,1,0,0|0,1,1]=4