0 B11R1.3 C#CC1=CC=C([N+](=O)[O-])C=C1 CS20667 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.3 C#Cc1ccc(C(=O)O)cc1 CS17809 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.3 C(C)(N)C1=CC=C(OC)C=C1 MC20521 [0,0,0,0,0,0|1,0,1]=2 3 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 MC20903 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 MC425378 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 CS18730 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 CS12193 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.3 CC(C)C1=CC=C(CBr)C=C1 CS14001 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.3 CC(N)C1=CC=C(C#N)C=C1 CS17346 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.3 CC(O)C1=CC=C(C#N)C=C1 CS10987 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.3 CCC1=CC=C(B(O)O)C=C1 CS10550 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 CS13406 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 MC441036 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.3 CN(C)C1=CC=C(C#N)C=C1 MC40651 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 CS13401 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 MC20232 [0,0,0,0,0,0|2,0,0]=2 16 B11R1.3 COC1=CC=C(B(O)O)C=C1 CS10530 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.3 COC1=CC=C(B(O)O)C=N1 CS19514 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 MC20515 [0,0,0,0,0,0|1,0,0]=1 19 B11R1.3 COC1=CC=C(C(C)=O)C=C1 MC41262 [0,0,0,0,0,0|0,0,0]=0 20 B11R1.3 COC1=CC=C(C(C)=O)C=N1 CS20044 [0,0,0,0,0,0|1,0,0]=1 21 B11R1.3 COC1=CC=C(C(C)C)C=C1 MC41346 [0,0,0,0,0,0|1,0,1]=2 22 B11R1.3 COC1=CC=C(C(C)N)C=C1 CS13954 [0,0,0,0,0,0|1,0,1]=2 23 B11R1.3 COC1=CC=C(N(C)C)C=C1 MC20811 [0,0,0,0,0,0|2,0,0]=2 24 B11R1.3 COC1=CN=C(C(=O)Cl)C=N1 MC106028 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.3 COC1=CN=C(C(=O)O)C=C1 CS18937 [0,0,0,0,0,0|2,0,0]=2 26 B11R1.3 COC1=CN=C(C(=O)O)C=N1 CS12309 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.3 COC1=CN=C(C(C)=O)C=C1 MC105069 [0,0,0,0,0,0|1,0,0]=1 28 B11R1.3 COC1=CN=C([N+](=O)[O-])C=C1 MC33485 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.3 COC1=NC=C(C(=O)O)C=C1 CS10490 [0,0,0,0,0,0|2,0,0]=2 30 B11R1.3 COC1=NC=C([N+](=O)[O-])C=C1 CS19385 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.3 COC1=NC=C([N+](=O)[O-])C=N1 CS14448 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.3 N#CC1=CC=C(C(=O)Cl)C=C1 MC40462 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.3 N#CC1=CC=C(C(=O)O)C=C1 CS21997 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.3 N#CC1=CC=C([N+](=O)[O-])C=C1 CS13392 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.3 N=C(N)C1=CC=C(C=O)C=C1 MC106619 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 CS15778 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.3 NC(=O)C1=NC=C(C=O)C=C1 MC432013 [0,0,0,0,0,0|4,0,0]=4 38 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 MC20325 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.3 NCC1=NC=C(C(N)=O)C=C1 CS18466 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.3 NCc1ccc(C(N)=O)cn1 MC431292 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 CS10519 [0,0,0,0,0,0|3,0,0]=3 42 B11R1.3 NNC1=CC=C([N+](=O)[O-])C=C1 CS19494 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 CS14658 [0,0,0,0,0,0|3,0,0]=3 44 B11R1.3 O=C(Cl)C1=CC=C(CCl)C=C1 MC40458 [0,0,0,0,0,0|3,0,0]=3 45 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 MC10316 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 CS20829 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 CS20945 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 MC115965 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 CS20792 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.3 O=CC1=CC=C([N+](=O)[O-])C=C1 CS19138 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.3 O=[N+]([O-])C1=CC=C(CO)C=C1 CS19205 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.3 C#CC1=CC=C(C=O)C=C1 CS21472 [1,0,0,0,0,0|1,0,1]=3 53 B10R1.3 C#CC1=CC=C(CC)C=C1 CS11051 [1,0,0,0,0,0|1,0,2]=4 54 B10R1.3 C#CC1=CC=C(OC)C=C1 CS21617 [1,0,0,0,0,0|0,0,2]=3 55 B10R1.3 C#CC1=CN=C(OC)C=C1 MC427465 [1,0,0,0,0,0|1,0,2]=4 56 B10R1.3 C=CC1=NC=C(CC)C=C1 MC111111 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.3 CCC1=CC=C(CCl)C=C1 MC40596 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.3 CCC1=CC=C(NN)C=C1 CS16126 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.3 COC1=CC=C(C#N)C=C1 CS19381 [1,0,0,0,0,0|1,0,1]=3 60 B10R1.3 COC1=CC=C(C=O)C=C1 CS18687 [1,0,0,0,0,0|0,0,0]=1 61 B10R1.3 COC1=CC=C(CCl)C=C1 MC20866 [1,0,0,0,0,0|1,0,1]=3 62 B10R1.3 COC1=CC=C(CN)C=C1 CS18898 [1,0,0,0,0,0|1,0,1]=3 63 B10R1.3 COC1=CC=C(CN)C=N1 MC103395 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.3 COC1=CC=C(CO)C=C1 CS22932 [1,0,0,0,0,0|0,0,2]=3 65 B10R1.3 COC1=CC=C(CO)C=N1 CS15243 [1,0,0,0,0,0|1,0,2]=4 66 B10R1.3 COC1=CC=C(NN)C=C1 CS19581 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.3 COC1=CC=C(OC)C=C1 MC41357 [1,0,0,0,0,0|1,0,0]=2 68 B10R1.3 COC1=CN=C(C=O)C=C1 CS10425 [1,0,0,0,0,0|1,0,0]=2 69 B10R1.3 COC1=CN=C(C=O)N=C1 MC103831 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.3 COC1=CN=C(CBr)C=C1 CS18482 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.3 COC1=CN=C(CCl)C=C1 CS12684 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.3 COC1=CN=C(CCl)C=C1 MC105068 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.3 COC1=CN=C(CN)C=C1 MC431302 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.3 COC1=CN=C(CO)C=C1 MC443535 [1,0,0,0,0,0|1,0,2]=4 75 B10R1.3 COC1=NC=C(C=O)C=C1 CS20322 [1,0,0,0,0,0|1,0,0]=2 76 B10R1.3 COC1=NC=C(C=O)C=N1 CS16257 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.3 COC1=NC=C(CBr)C=C1 CS17111 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.3 COC1=NC=C(CCl)C=C1 CS16575 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.3 COC1=NC=C(NN)C=C1 CS16925 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.3 COc1ccc([Mg]Br)cn1 MC116057 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.3 CSC1=CC=C(CN)C=C1 MC433900 [1,0,0,0,0,0|1,1,1]=4 82 B10R1.3 CSC1=NC=C(C=O)C=N1 MC443841 [1,0,0,0,0,0|2,1,0]=4 83 B10R1.3 N#CC1=CC=C(C=O)C=C1 CS13468 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.3 N#CC1=CN=C(C=O)C=C1 CS12973 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.3 N#CC1=NC=C(C=O)C=C1 CS13188 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.3 O=CC1=CC=C(C=O)C=C1 CS11974 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.3 O=CC1=CC=C(CBr)C=C1 MC41097 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.3 O=CC1=CC=C(CO)C=C1 CS15415 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.3 O=NC1=CC=C(N=O)C=C1 MC21148 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.13 C=C(C)C1=CC=C(O)C=C1 MC441020 [1,0,0,0,0,0|1,0,0]=2 91 B10R1.13 C=C(C)C1=CN=C(Cl)C=C1 MC107618 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [1,0,0,0,0,0|1,0,0]=2 93 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 CS17999 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [1,0,0,0,0,0|0,0,0]=1 95 B10R1.13 CC(=O)C1=CC=C(C)N=N1 MC112296 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [1,0,0,0,0,0|1,0,0]=2 97 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS19687 [1,0,0,0,0,0|2,0,0]=3 98 B10R1.13 CC(=O)C1=CC=C(Cl)N=N1 MC104987 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [1,0,0,0,0,0|1,0,0]=2 100 B10R1.13 CC(=O)C1=CC=C(F)N=C1 CS16982 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [1,0,0,0,0,0|1,0,0]=2 102 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [1,0,0,0,0,0|0,0,0]=1 103 B10R1.13 CC(=O)C1=CC=C(O)N=C1 CS12692 [1,0,0,0,0,0|1,0,0]=2 104 B10R1.13 CC(=O)C1=CN=C(C)C=C1 MC428167 [1,0,0,0,0,0|1,0,0]=2 105 B10R1.13 CC(=O)C1=CN=C(C)N=C1 MC444074 [1,0,0,0,0,0|2,0,0]=3 106 B10R1.13 CC(=O)C1=CN=C(N)N=C1 CS17494 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CS16977 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 CS17050 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.13 CC(=O)C1=NC=C(C)C=C1 MC443649 [1,0,0,0,0,0|1,0,0]=2 110 B10R1.13 CC(=O)C1=NC=C(C)N=C1 MC444078 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 CS16979 [1,0,0,0,0,0|2,0,0]=3 112 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 CS14519 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.13 CC(=O)C1=NC=C(F)C=C1 MC106404 [1,0,0,0,0,0|2,0,0]=3 114 B10R1.13 CC(=O)C1=NC=C(N)C=C1 MC442802 [1,0,0,0,0,0|2,0,0]=3 115 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [1,0,0,0,0,0|1,0,0]=2 116 B10R1.13 CC(Br)C1=CC=C(F)C=C1 CS16140 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.13 CC(C)C1=CC=C(Br)C=C1 CS19162 [1,0,0,0,0,0|2,0,1]=4 118 B10R1.13 CC(C)C1=CC=C(N)C=C1 CS22915 [1,0,0,0,0,0|2,0,1]=4 119 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS10540 [1,0,0,0,0,0|2,0,1]=4 120 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS20256 [1,0,0,0,0,0|2,0,1]=4 121 B10R1.13 CC(N)C1=CC=C(F)C=C1 CS19253 [1,0,0,0,0,0|2,0,1]=4 122 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC40832 [1,0,0,0,0,0|2,0,1]=4 123 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC429424 [1,0,0,0,0,0|2,0,1]=4 124 B10R1.13 CC(N)C1=CC=C(I)C=C1 MC113505 [1,0,0,0,0,0|2,0,1]=4 125 B10R1.13 CC(N)C1=CC=C(N)C=C1 CS22422 [1,0,0,0,0,0|2,0,1]=4 126 B10R1.13 CC(N)c1ccc(Cl)cc1 MC433903 [1,0,0,0,0,0|2,0,1]=4 127 B10R1.13 CC(O)C1=CC=C(F)C=C1 MC33129 [1,0,0,0,0,0|1,0,2]=4 128 B10R1.13 CC(O)C1=CC=C(N)C=C1 MC40728 [1,0,0,0,0,0|1,0,2]=4 129 B10R1.13 CC1=CC=C(B(O)O)C=C1 CS10128 [1,0,0,0,0,0|2,0,1]=4 130 B10R1.13 CC1=CC=C(C(=N)N)C=C1 CS20439 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 MC40494 [1,0,0,0,0,0|1,0,0]=2 132 B10R1.13 CC1=CC=C(C(=O)O)C=C1 MC40304 [1,0,0,0,0,0|1,0,0]=2 133 B10R1.13 CC1=CC=C(C(N)=O)C=C1 CS11895 [1,0,0,0,0,0|1,0,0]=2 134 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 CS11896 [1,0,0,0,0,0|2,0,0]=3 135 B10R1.13 CC1=CC=C(S(N)=O)C=C1 CS18822 [1,0,0,0,0,0|2,0,0]=3 136 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS10458 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS17310 [1,0,0,0,0,0|2,0,0]=3 138 B10R1.13 CC1=CN=C(C(=O)O)C=N1 CS19370 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.13 CC1=CN=C(C(=O)O)N=C1 CS21764 [1,0,0,0,0,0|3,0,0]=4 140 B10R1.13 CC1=CN=C([N+](=O)[O-])C=C1 CS21713 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.13 CC1=NC=C(C(=O)O)C=C1 CS20324 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.13 CC1=NC=C(C(=O)O)C=N1 CS21698 [1,0,0,0,0,0|3,0,0]=4 143 B10R1.13 CC1=NC=C(C(N)=O)C=C1 CS18427 [1,0,0,0,0,0|2,0,0]=3 144 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 CS19359 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.13 CN(C)C1=CC=C(Br)C=C1 CS15132 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 MC20289 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.13 CN(C)C1=CC=C(I)C=C1 CS16430 [1,0,0,0,0,0|3,0,0]=4 148 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS16528 [1,0,0,0,0,0|2,0,0]=3 149 B10R1.13 CN(C)C1=CC=C(O)C=C1 MC442505 [1,0,0,0,0,0|2,0,0]=3 150 B10R1.13 Cc1ccc(C(C)C)cc1 MC444976 [1,0,0,0,0,0|1,0,1]=3 151 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 MC21022 [1,0,0,0,0,0|3,0,0]=4 152 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CS20283 [1,0,0,0,0,0|3,0,0]=4 153 B10R1.13 N=C(N)C1=CC=C(F)C=C1 CS18318 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.13 N=C(N)C1=CC=C(N)C=C1 CS21974 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS10426 [1,0,0,0,0,0|2,0,0]=3 156 B10R1.13 NC(=O)C1=CN=C(N)C=C1 MC425266 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.13 NC(=O)C1=CNC(=O)C=C1 MC427340 [1,0,0,0,0,0|2,0,1]=4 158 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 MC41603 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 MC33351 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.13 NC(=O)C1=NC=C(F)C=C1 CS16336 [1,0,0,0,0,0|3,0,0]=4 161 B10R1.13 NC(=O)C1=NC=C(N)C=C1 CS10223 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.13 NC(=S)C1=CC=C(O)C=C1 CS20343 [1,0,0,0,0,0|1,1,0]=3 163 B10R1.13 NC1=CC=C(C(=O)O)C=C1 MC40224 [1,0,0,0,0,0|2,0,0]=3 164 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 CS22580 [1,0,0,0,0,0|2,0,0]=3 165 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 MC40934 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.13 NC1=CN=C(C(=O)O)C=C1 CS19367 [1,0,0,0,0,0|3,0,0]=4 167 B10R1.13 NC1=NC=C(C(=O)O)C=C1 CS19354 [1,0,0,0,0,0|3,0,0]=4 168 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 MC40440 [1,0,0,0,0,0|2,0,0]=3 169 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 MC40474 [1,0,0,0,0,0|2,0,0]=3 170 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 MC433701 [1,0,0,0,0,0|2,0,0]=3 171 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 CS20082 [1,0,0,0,0,0|2,0,0]=3 172 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS15821 [1,0,0,0,0,0|2,0,0]=3 173 B10R1.13 O=C(O)C1=CC=C(F)C=C1 MC40280 [1,0,0,0,0,0|2,0,0]=3 174 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS20135 [1,0,0,0,0,0|2,0,0]=3 175 B10R1.13 O=C(O)C1=CC=C(O)C=C1 CS22885 [1,0,0,0,0,0|1,0,0]=2 176 B10R1.13 O=C(O)C1=CC=C(O)N=N1 CS17550 [1,0,0,0,0,0|3,0,0]=4 177 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 CS22092 [1,0,0,0,0,0|3,0,0]=4 178 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 CS22101 [1,0,0,0,0,0|3,0,0]=4 179 B10R1.13 O=C(O)C1=CN=C(F)C=C1 CS18891 [1,0,0,0,0,0|3,0,0]=4 180 B10R1.13 O=C(O)C1=CN=C(O)C=C1 CS19189 [1,0,0,0,0,0|2,0,0]=3 181 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 CS22033 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS19376 [1,0,0,0,0,0|3,0,0]=4 183 B10R1.13 O=C(O)C1=NC=C(F)C=C1 CS10387 [1,0,0,0,0,0|3,0,0]=4 184 B10R1.13 O=C(O)C1=NC=C(I)C=C1 CS10412 [1,0,0,0,0,0|3,0,0]=4 185 B10R1.13 O=C(O)C1=NC=C(O)C=C1 CS22997 [1,0,0,0,0,0|2,0,0]=3 186 B10R1.13 O=C(O)C1=NC=C(O)C=N1 MC105798 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.13 O=C([O-])C1=CC=C(Br)C=C1 MC40334 [1,0,0,0,0,0|2,0,0]=3 188 B10R1.13 O=C([O-])C1=CC=C(Cl)C=C1 MC40337 [1,0,0,0,0,0|2,0,0]=3 189 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 MC40351 [1,0,0,0,0,0|2,0,0]=3 190 B10R1.13 O=[N+]([O-])C1=CC=C(Br)C=C1 CS18786 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 CS22843 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 CS19234 [1,0,0,0,0,0|3,0,0]=4 193 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 MC41207 [1,0,0,0,0,0|2,0,0]=3 194 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=N1 CS19719 [1,0,0,0,0,0|3,0,0]=4 195 B10R1.13 O=[N+]([O-])C1=CN=C(O)C=C1 CS22717 [1,0,0,0,0,0|3,0,0]=4 196 B10R1.13 O=[N+]([O-])c1ccc(Cl)cc1 MC41577 [1,0,0,0,0,0|3,0,0]=4 197 B10R1.13 OB(O)C1=CC=C(O)C=C1 CS19452 [1,0,0,0,0,0|2,0,1]=4 198 B10R1.13 OC1=CC=C(C(F)F)C=C1 CS15692 [1,0,0,0,0,0|2,0,1]=4 199 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 MC433261 [0,1,0,0,0,0|1,0,0]=2 200 B12R1.5 CCC1=CC=C(C(=O)CBr)C=C1 MC442572 [0,1,0,0,0,0|1,0,0]=2 201 B12R1.5 COC(=O)C1=CC=C(C#N)C=C1 CS22286 [0,1,0,0,0,0|2,0,0]=3 202 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 CS21634 [0,1,0,0,0,0|2,0,0]=3 203 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 CS21991 [0,1,0,0,0,0|2,0,0]=3 204 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 CS18814 [0,1,0,0,0,0|2,0,0]=3 205 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 CS18683 [0,1,0,0,0,0|0,0,0]=1 206 B12R1.5 COC(=O)C1=CN=C(C=O)C=C1 CS11664 [0,1,0,0,0,0|3,0,0]=4 207 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 CS14996 [0,1,0,0,0,0|3,0,0]=4 208 B12R1.5 COC(=O)C1=CN=C(OC)C=C1 CS10880 [0,1,0,0,0,0|1,0,0]=2 209 B12R1.5 COC(=O)C1=NC=C(CO)C=C1 MC431233 [0,1,0,0,0,0|3,0,0]=4 210 B12R1.5 COC(=O)C1=NC=C(OC)N=C1 MC110953 [0,1,0,0,0,0|2,0,0]=3 211 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 MC41239 [0,1,0,0,0,0|0,0,0]=1 212 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 CS21179 [0,1,0,0,0,0|0,0,0]=1 213 B12R1.5 COC1=CC=C(C(O)CN)C=C1 MC431260 [0,1,0,0,0,0|0,0,2]=3 214 B12R1.5 COC1=CN=C(C(=N)NO)C=C1 CS21754 [0,1,0,0,0,0|2,0,1]=4 215 B12R1.5 N#CC1=CC=C(C(=O)CBr)C=C1 MC426060 [0,1,0,0,0,0|2,0,0]=3 216 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 MC443529 [0,1,0,0,0,0|3,0,0]=4 217 B12R1.6 C#CC1=CC=C(S(C)(=O)=O)C=C1 MC443366 [0,1,0,0,0,0|2,0,1]=4 218 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 MC41350 [0,1,0,0,0,0|1,0,1]=3 219 B12R1.6 COC1=CC=C(C(F)(F)F)C=C1 CS22476 [0,1,0,0,0,0|2,0,1]=4 220 B12R1.6 COC1=CC=C(S(=O)(=O)Cl)C=C1 CS20296 [0,1,0,0,0,0|2,0,0]=3 221 B12R1.6 CS(=O)(=O)C1=CC=C(C#N)C=C1 MC40671 [0,1,0,0,0,0|3,0,0]=4 222 B12R1.6 CS(=O)(=O)C1=CC=C(C=O)C=C1 CS20950 [0,1,0,0,0,0|3,0,0]=4 223 B12R1.6 CS(=O)(=O)C1=CC=C(CBr)C=C1 CS19124 [0,1,0,0,0,0|3,0,0]=4 224 B12R1.6 CS(=O)(=O)C1=CC=C(CN)C=C1 MC40838 [0,1,0,0,0,0|3,0,0]=4 225 B12R1.6 CS(=O)(=O)C1=CC=C(CO)C=C1 MC40723 [0,1,0,0,0,0|3,0,0]=4 226 B12R1.6 CS(=O)(=O)C1=CC=C(NN)C=C1 CS19592 [0,1,0,0,0,0|3,0,0]=4 227 B12R1.48 CC(=O)C1=CC(Br)=C(C#N)C=C1 MC433722 [0,1,0,0,0,0|2,0,0]=3 228 B12R1.48 CC(=O)C1=CC(C)=C(C#N)C=C1 MC433227 [0,1,0,0,0,0|2,0,0]=3 229 B12R1.48 CC1=C(C#N)C=CC(C(=O)O)=C1 CS15153 [0,1,0,0,0,0|3,0,0]=4 230 B12R1.48 CCC1=C(Br)C=C([N+](=O)[O-])C=C1 MC106860 [0,1,0,0,0,0|3,0,0]=4 231 B12R1.48 CCC1=C(N)C=C(C(=O)O)C=C1 CS14645 [0,1,0,0,0,0|2,0,0]=3 232 B12R1.48 CCC1=C(N)C=C([N+](=O)[O-])C=C1 MC42306 [0,1,0,0,0,0|3,0,0]=4 233 B12R1.48 CNC1=C(Br)C=C(C(=O)O)C=C1 CS17356 [0,1,0,0,0,0|2,0,0]=3 234 B12R1.48 CNc1ccc([N+](=O)[O-])cc1N MC42214 [0,1,0,0,0,0|3,0,0]=4 235 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 MC111592 [0,1,0,0,0,0|2,0,0]=3 236 B12R1.48 COC1=C(Br)C=C(C(C)=O)C=C1 CS11019 [0,1,0,0,0,0|0,0,0]=1 237 B12R1.48 COC1=C(Br)C=C(C(C)N)C=C1 MC112069 [0,1,0,0,0,0|1,0,1]=3 238 B12R1.48 COC1=C(Br)C=C(C(N)=O)C=N1 MC100060 [0,1,0,0,0,0|2,0,0]=3 239 B12R1.48 COC1=C(Br)C=C([N+](=O)[O-])C=C1 MC41322 [0,1,0,0,0,0|2,0,0]=3 240 B12R1.48 COC1=C(Br)N=C(C(=O)O)C=C1 CS10651 [0,1,0,0,0,0|2,0,0]=3 241 B12R1.48 COC1=C(C)C=C(B(O)O)C=C1 MC442901 [0,1,0,0,0,0|2,0,1]=4 242 B12R1.48 COC1=C(C)C=C(C(=O)O)C=C1 MC30268 [0,1,0,0,0,0|1,0,0]=2 243 B12R1.48 COC1=C(C)C=C(C(C)=O)C=C1 MC41263 [0,1,0,0,0,0|0,0,0]=1 244 B12R1.48 COC1=C(C)C=C([N+](=O)[O-])C=C1 MC433395 [0,1,0,0,0,0|2,0,0]=3 245 B12R1.48 COC1=C(Cl)C=C(B(O)O)C=C1 MC441429 [0,1,0,0,0,0|2,0,1]=4 246 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=C1 MC30277 [0,1,0,0,0,0|1,0,0]=2 247 B12R1.48 COC1=C(Cl)C=C([N+](=O)[O-])C=C1 CS20211 [0,1,0,0,0,0|2,0,0]=3 248 B12R1.48 COC1=C(F)C=C(B(O)O)C=C1 CS21926 [0,1,0,0,0,0|2,0,1]=4 249 B12R1.48 COC1=C(F)C=C(C(=O)Cl)C=C1 MC40477 [0,1,0,0,0,0|1,0,0]=2 250 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 MC30258 [0,1,0,0,0,0|1,0,0]=2 251 B12R1.48 COC1=C(F)C=C(C(C)=O)C=N1 MC429308 [0,1,0,0,0,0|1,0,0]=2 252 B12R1.48 COC1=C(F)C=C([N+](=O)[O-])C=C1 MC33142 [0,1,0,0,0,0|2,0,0]=3 253 B12R1.48 COC1=C(I)C=C([N+](=O)[O-])C=C1 MC41344 [0,1,0,0,0,0|2,0,0]=3 254 B12R1.48 COC1=C(N)C=C(B(O)O)C=C1 MC441496 [0,1,0,0,0,0|2,0,1]=4 255 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 MC40229 [0,1,0,0,0,0|1,0,0]=2 256 B12R1.48 COC1=C(N)C=C(C(C)C)C=C1 MC106490 [0,1,0,0,0,0|1,0,1]=3 257 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 CS15591 [0,1,0,0,0,0|2,0,0]=3 258 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 MC40927 [0,1,0,0,0,0|2,0,0]=3 259 B12R1.48 COC1=C(O)C=C(B(O)O)C=C1 MC113665 [0,1,0,0,0,0|2,0,1]=4 260 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 CS10864 [0,1,0,0,0,0|1,0,0]=2 261 B12R1.48 COC1=C(O)C=C(C(C)=O)C=C1 CS22927 [0,1,0,0,0,0|0,0,0]=1 262 B12R1.48 COC1=C(O)C=C([N+](=O)[O-])C=C1 CS15430 [0,1,0,0,0,0|2,0,0]=3 263 B12R1.48 COC1=CC=C([N+](=O)[O-])N=C1Br CS14535 [0,1,0,0,0,0|3,0,0]=4 264 B12R1.48 COC1=CC=C([N+](=O)[O-])N=C1Cl CS17250 [0,1,0,0,0,0|3,0,0]=4 265 B12R1.48 COC1=CN=C(C(=O)O)C=C1Cl MC104263 [0,1,0,0,0,0|2,0,0]=3 266 B12R1.48 COC1=CN=C(C(=O)O)C=C1O MC431993 [0,1,0,0,0,0|2,0,0]=3 267 B12R1.48 COC1=NC=C(C(=O)O)C=C1Cl MC20740 [0,1,0,0,0,0|2,0,0]=3 268 B12R1.48 COC1=NC=C(C(=O)O)C=C1F CS13290 [0,1,0,0,0,0|2,0,0]=3 269 B12R1.48 COC1=NC=C([N+](=O)[O-])C=C1Cl CS17096 [0,1,0,0,0,0|3,0,0]=4 270 B12R1.48 COc1ccc(C(C)=O)cc1F MC30259 [0,1,0,0,0,0|0,0,0]=1 271 B12R1.48 N#CC1=C(F)C=C(C(=O)O)C=C1 CS13841 [0,1,0,0,0,0|3,0,0]=4 272 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 MC442234 [0,1,0,0,0,0|3,0,0]=4 273 B12R1.48 O=CC1=C(O)C=C(C(=O)O)C=C1 CS18398 [0,1,0,0,0,0|3,0,0]=4 274 B12R1.48 O=CC1=C(O)C=C(C(=O)O)C=C1 MC427435 [0,1,0,0,0,0|3,0,0]=4 275 B12R1.113 CC(=O)C1=CC=C(CCBr)C=C1 CS10009 [0,1,0,0,0,0|1,0,0]=2 276 B12R1.113 CC(=O)C1=CC=C(N=C=O)C=C1 MC41029 [0,1,0,0,0,0|1,0,1]=3 277 B12R1.113 CCOC1=CC=C(B(O)O)C=C1 CS20470 [0,1,0,0,0,0|2,0,1]=4 278 B12R1.113 CCOC1=CC=C(C(=O)Cl)C=C1 MC20583 [0,1,0,0,0,0|1,0,0]=2 279 B12R1.113 CCOC1=CC=C(C(=O)O)C=C1 MC433673 [0,1,0,0,0,0|1,0,0]=2 280 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 MC33060 [0,1,0,0,0,0|0,0,0]=1 281 B12R1.113 CCOC1=CN=C(C(=O)O)C=N1 CS15253 [0,1,0,0,0,0|3,0,0]=4 282 B12R1.113 CCOC1=NC=C([N+](=O)[O-])C=C1 MC20349 [0,1,0,0,0,0|3,0,0]=4 283 B12R1.113 CN(C)C1=CC=C(CCO)C=C1 CS22462 [0,1,0,0,0,0|3,0,0]=4 284 B12R1.113 COCC1=CC=C(B(O)O)C=C1 MC431182 [0,1,0,0,0,0|2,0,1]=4 285 B12R1.113 COCC1=CC=C(C(=O)O)C=C1 MC40299 [0,1,0,0,0,0|1,0,0]=2 286 B12R1.113 NCCC1=CC=C([N+](=O)[O-])C=C1 CS10544 [0,1,0,0,0,0|3,0,0]=4 287 B12R1.113 O=C(O)C1=CC=C(CCBr)C=C1 MC40240 [0,1,0,0,0,0|2,0,0]=3 288 B12R1.113 O=C(O)C1=NC=C(OCF)N=C1 MC430715 [0,1,0,0,0,0|3,0,0]=4 289 B12R1.113 O=[N+]([O-])C1=CC=C(CCBr)C=C1 CS10840 [0,1,0,0,0,0|3,0,0]=4 290 B12R1.113 O=[N+]([O-])C1=CC=C(CCO)C=C1 CS10877 [0,1,0,0,0,0|3,0,0]=4 291 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 CS21633 [0,1,0,0,0,0|2,0,0]=3 292 B12R1.256 CC(=O)C1=CC=C(C(C)C)N=C1 MC429993 [0,1,0,0,0,0|2,0,0]=3 293 B12R1.256 CC(=O)C1=CC=C(C(F)F)C=C1 CS16652 [0,1,0,0,0,0|2,0,0]=3 294 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 CS10026 [0,1,0,0,0,0|1,0,0]=2 295 B12R1.256 CC(=O)C1=CN=C(C(=O)O)C=C1 MC431646 [0,1,0,0,0,0|3,0,0]=4 296 B12R1.256 CC(=O)C1=NC=C([N+](=O)[O-])C=C1 MC114640 [0,1,0,0,0,0|3,0,0]=4 297 B12R1.256 CC(C)C1=CC=C(C(=O)O)C=C1 CS11114 [0,1,0,0,0,0|2,0,0]=3 298 B12R1.256 CC(C)C1=CN=C(C(=O)O)C=C1 MC442699 [0,1,0,0,0,0|3,0,0]=4 299 B12R1.256 CC(N)C1=CC=C([N+](=O)[O-])C=C1 MC428054 [0,1,0,0,0,0|3,0,0]=4 300 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=C1 CS13409 [0,1,0,0,0,0|2,0,0]=3 301 B12R1.256 CN(C)C1=CC=C(C(N)=O)C=C1 CS14909 [0,1,0,0,0,0|2,0,0]=3 302 B12R1.256 CN(C)C1=CC=C([N+](=O)[O-])C=C1 MC40907 [0,1,0,0,0,0|3,0,0]=4 303 B12R1.256 N=C(N)C1=CC=C(C(=O)O)C=C1 MC431661 [0,1,0,0,0,0|3,0,0]=4 304 B12R1.256 NC(=O)C1=CC=C(B(O)O)C=C1 CS20360 [0,1,0,0,0,0|3,0,0]=4 305 B12R1.256 NC(=O)C1=CC=C([N+](=O)[O-])C=C1 CS10449 [0,1,0,0,0,0|3,0,0]=4 306 B12R1.256 O=C(Cl)C1=CC=C(C(=O)Cl)C=C1 MC40500 [0,1,0,0,0,0|3,0,0]=4 307 B12R1.256 O=C(Cl)C1=CC=C([N+](=O)[O-])C=C1 MC20943 [0,1,0,0,0,0|3,0,0]=4 308 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 CS20267 [0,1,0,0,0,0|3,0,0]=4 309 B12R1.256 O=C(O)C1=CC=C(C(=O)O)C=C1 MC40320 [0,1,0,0,0,0|3,0,0]=4 310 B12R1.256 O=C(O)C1=CC=C(C(F)F)C=C1 MC429961 [0,1,0,0,0,0|3,0,0]=4 311 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 CS15330 [0,1,0,0,0,0|3,0,0]=4 312 B12R1.452 C=CC1=CC(Cl)=C(C(=O)Cl)C=C1 MC106009 [0,1,0,0,0,0|2,0,1]=4 313 B12R1.452 C=CC1=CC(Cl)=C(C(=O)O)C=C1 MC105944 [0,1,0,0,0,0|2,0,1]=4 314 B12R1.452 COC1=CC(Br)=C(C(=O)O)C=C1 CS13221 [0,1,0,0,0,0|1,0,0]=2 315 B12R1.452 COC1=CC(Br)=C(C(=O)O)C=C1 MC433140 [0,1,0,0,0,0|1,0,0]=2 316 B12R1.452 COC1=CC(C)=C(B(O)O)C=C1 CS20472 [0,1,0,0,0,0|2,0,1]=4 317 B12R1.452 COC1=CC(C)=C(C(=O)O)C=C1 MC40302 [0,1,0,0,0,0|1,0,0]=2 318 B12R1.452 COC1=CC(C)=C([N+](=O)[O-])C=C1 MC433393 [0,1,0,0,0,0|2,0,0]=3 319 B12R1.452 COC1=CC(Cl)=C(B(O)O)C=C1 MC442037 [0,1,0,0,0,0|2,0,1]=4 320 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=C1 CS13952 [0,1,0,0,0,0|1,0,0]=2 321 B12R1.452 COC1=CC(F)=C(B(O)O)C=C1 CS20355 [0,1,0,0,0,0|2,0,1]=4 322 B12R1.452 COC1=CC(F)=C(C(=O)O)C=C1 CS14142 [0,1,0,0,0,0|1,0,0]=2 323 B12R1.452 COC1=CC(F)=C(C(=O)O)C=C1 MC433683 [0,1,0,0,0,0|1,0,0]=2 324 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 CS21695 [0,1,0,0,0,0|0,0,0]=1 325 B12R1.452 COC1=CC(F)=C([N+](=O)[O-])C=C1 CS20229 [0,1,0,0,0,0|2,0,0]=3 326 B12R1.452 COC1=CC(I)=C(C(=O)O)C=C1 CS16838 [0,1,0,0,0,0|1,0,0]=2 327 B12R1.452 COC1=CC(I)=C([N+](=O)[O-])C=C1 MC433392 [0,1,0,0,0,0|2,0,0]=3 328 B12R1.452 COC1=CC(N)=C(C(=O)O)C=C1 CS18303 [0,1,0,0,0,0|1,0,0]=2 329 B12R1.452 COC1=CC(N)=C(C(N)=O)C=C1 MC111104 [0,1,0,0,0,0|1,0,0]=2 330 B12R1.452 COC1=CC(N)=C([N+](=O)[O-])C=C1 CS20388 [0,1,0,0,0,0|2,0,0]=3 331 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 MC20161 [0,1,0,0,0,0|0,0,0]=1 332 B12R1.452 COC1=CC(O)=C([N+](=O)[O-])C=C1 CS20341 [0,1,0,0,0,0|2,0,0]=3 333 B12R1.452 COC1=CC=C([N+](=O)[O-])C(C)=N1 MC425071 [0,1,0,0,0,0|3,0,0]=4 334 B12R1.452 COC1=CC=C([N+](=O)[O-])C(Cl)=N1 CS19065 [0,1,0,0,0,0|3,0,0]=4 335 B12R1.452 COC1=CC=C([N+](=O)[O-])C(N)=N1 CS19495 [0,1,0,0,0,0|3,0,0]=4 336 B12R1.452 COC1=CN=C(C(=O)O)C(Cl)=C1 CS14407 [0,1,0,0,0,0|2,0,0]=3 337 B12R1.452 COC1=CN=C(C(=O)O)C(F)=C1 MC431674 [0,1,0,0,0,0|2,0,0]=3 338 B12R1.452 COC1=NC(F)=C(C(=O)O)C=C1 MC441124 [0,1,0,0,0,0|2,0,0]=3 339 B12R1.452 COC1=NC=C(C(=O)O)C(N)=C1 MC104037 [0,1,0,0,0,0|2,0,0]=3 340 B12R1.452 COC1=NC=C([N+](=O)[O-])C(C)=C1 CS15484 [0,1,0,0,0,0|3,0,0]=4 341 B12R1.452 COC1=NC=C([N+](=O)[O-])C(Cl)=C1 MC104293 [0,1,0,0,0,0|3,0,0]=4 342 B12R1.452 CSC1=CC(C)=C(C(=O)O)C=C1 MC40305 [0,1,0,0,0,0|1,1,0]=3 343 B12R1.452 CSC1=NC=C(C(C)=O)C(N)=N1 MC444076 [0,1,0,0,0,0|2,1,0]=4 344 B12R1.452 N#CC1=CC(F)=C(C(=O)O)C=C1 CS20614 [0,1,0,0,0,0|3,0,0]=4 345 B12R1.452 O=CC1=CC(Cl)=C(C(=O)O)C=C1 MC429715 [0,1,0,0,0,0|3,0,0]=4 346 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 CS22530 [0,0,0,0,0,1|2,0,0]=3 347 B12R1.4 CC(=O)OC1=CC=C(C=O)C=C1 MC40005 [0,0,0,0,0,1|2,0,0]=3 348 B12R1.4 CC(=S)NC1=CC=C(C#N)C=C1 MC427302 [0,0,0,0,0,1|2,1,0]=4 349 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 MC20892 [0,0,0,0,0,1|1,0,0]=2 350 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 CS13446 [0,0,0,0,0,1|1,0,0]=2 351 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 CS11110 [0,0,0,0,0,1|0,0,0]=1 352 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 MC427407 [0,0,0,0,0,1|0,0,0]=1 353 B12R1.4 COC1=CC=C(NC(C)=S)C=C1 MC427413 [0,0,0,0,0,1|0,1,0]=2 354 B12R1.4 COC1=CC=C(OC(=O)Cl)C=C1 MC40014 [0,0,0,0,0,1|1,0,0]=2 355 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 CS18357 [0,0,0,0,0,1|3,0,0]=4 356 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 CS16100 [0,0,0,0,0,1|3,0,0]=4 357 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 MC40138 [0,0,0,0,0,1|3,0,0]=4 358 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 MC40152 [0,0,0,0,0,1|3,0,0]=4 359 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 MC431953 [0,0,0,0,0,1|3,0,0]=4 360 B9R1.1 C#CC1=CC=C(C)C=C1 CS21552 [2,0,0,0,0,0|0,0,2]=4 361 B9R1.1 C=CC1=CC=C(Br)C=C1 MC41562 [2,0,0,0,0,0|1,0,1]=4 362 B9R1.1 C=CC1=CC=C(F)C=C1 MC33131 [2,0,0,0,0,0|1,0,1]=4 363 B9R1.1 CC1=CC=C(C#N)C=C1 CS19807 [2,0,0,0,0,0|1,0,1]=4 364 B9R1.1 CC1=CC=C(C=O)C=C1 MC41128 [2,0,0,0,0,0|0,0,0]=2 365 B9R1.1 CC1=CC=C(CBr)C=C1 CS22969 [2,0,0,0,0,0|1,0,1]=4 366 B9R1.1 CC1=CC=C(CCl)C=C1 MC40603 [2,0,0,0,0,0|1,0,1]=4 367 B9R1.1 CC1=CC=C(CN)C=C1 CS22970 [2,0,0,0,0,0|1,0,1]=4 368 B9R1.1 CC1=CC=C(CO)C=C1 CS19704 [2,0,0,0,0,0|0,0,2]=4 369 B9R1.1 CC1=CC=C(NN)C=C1 CS19576 [2,0,0,0,0,0|2,0,0]=4 370 B9R1.1 CC1=CN=C(C=O)C=C1 CS19088 [2,0,0,0,0,0|1,0,0]=3 371 B9R1.1 CC1=CN=C(C=O)C=N1 CS12781 [2,0,0,0,0,0|2,0,0]=4 372 B9R1.1 CC1=CN=C(C=O)N=C1 MC103803 [2,0,0,0,0,0|2,0,0]=4 373 B9R1.1 CC1=NC=C(C=O)C=C1 CS19116 [2,0,0,0,0,0|1,0,0]=3 374 B9R1.1 CC1=NC=C(C=O)C=N1 MC444194 [2,0,0,0,0,0|2,0,0]=4 375 B9R1.1 CCC1=CC=C(Br)C=C1 CS10865 [2,0,0,0,0,0|1,0,1]=4 376 B9R1.1 CCC1=CC=C(F)C=C1 MC20965 [2,0,0,0,0,0|1,0,1]=4 377 B9R1.1 CCC1=CC=C(I)C=C1 MC20189 [2,0,0,0,0,0|1,0,1]=4 378 B9R1.1 CCC1=CC=C(N)C=C1 MC40912 [2,0,0,0,0,0|1,0,1]=4 379 B9R1.1 CCC1=CC=C(O)C=C1 MC20188 [2,0,0,0,0,0|0,0,1]=3 380 B9R1.1 CCC1=CN=C(C)C=C1 MC20566 [2,0,0,0,0,0|1,0,1]=4 381 B9R1.1 CNC1=CC=C(Cl)C=C1 MC40891 [2,0,0,0,0,0|2,0,0]=4 382 B9R1.1 CNC1=CC=C(F)C=C1 MC40919 [2,0,0,0,0,0|2,0,0]=4 383 B9R1.1 CNC1=CC=C(I)C=C1 CS22906 [2,0,0,0,0,0|2,0,0]=4 384 B9R1.1 COC1=CC=C(Br)C=C1 MC41310 [2,0,0,0,0,0|1,0,0]=3 385 B9R1.1 COC1=CC=C(Cl)C=C1 MC41327 [2,0,0,0,0,0|1,0,0]=3 386 B9R1.1 COC1=CC=C(F)C=C1 MC30345 [2,0,0,0,0,0|1,0,0]=3 387 B9R1.1 COC1=CC=C(I)C=C1 MC41342 [2,0,0,0,0,0|1,0,0]=3 388 B9R1.1 COC1=CC=C(N)C=C1 CS18580 [2,0,0,0,0,0|1,0,0]=3 389 B9R1.1 COC1=CC=C(N)C=N1 CS19527 [2,0,0,0,0,0|2,0,0]=4 390 B9R1.1 COC1=CC=C(O)C=C1 CS22939 [2,0,0,0,0,0|0,0,1]=3 391 B9R1.1 COC1=CC=C(O)C=N1 CS19503 [2,0,0,0,0,0|1,0,1]=4 392 B9R1.1 COC1=CC=C(S)C=C1 MC20380 [2,0,0,0,0,0|0,1,0]=3 393 B9R1.1 COC1=CC=[N+]([O-])C=C1 CS18613 [2,0,0,0,0,0|1,0,1]=4 394 B9R1.1 COC1=CN=C(Br)C=C1 CS13470 [2,0,0,0,0,0|2,0,0]=4 395 B9R1.1 COC1=CN=C(F)C=C1 MC442697 [2,0,0,0,0,0|2,0,0]=4 396 B9R1.1 COC1=CN=C(N)C=C1 CS17791 [2,0,0,0,0,0|2,0,0]=4 397 B9R1.1 COC1=NC=C(Br)C=C1 CS22030 [2,0,0,0,0,0|2,0,0]=4 398 B9R1.1 COC1=NC=C(C)C=C1 CS21644 [2,0,0,0,0,0|1,0,0]=3 399 B9R1.1 COC1=NC=C(Cl)C=C1 CS17976 [2,0,0,0,0,0|2,0,0]=4 400 B9R1.1 COC1=NC=C(F)C=C1 MC20598 [2,0,0,0,0,0|2,0,0]=4 401 B9R1.1 COC1=NC=C(I)C=C1 CS21641 [2,0,0,0,0,0|2,0,0]=4 402 B9R1.1 COC1=NC=C(N)C=C1 MC33494 [2,0,0,0,0,0|2,0,0]=4 403 B9R1.1 CSC1=CC=C(O)C=C1 MC20743 [2,0,0,0,0,0|1,0,0]=3 404 B9R1.1 N#CC1=CC=C(O)C=C1 CS15887 [2,0,0,0,0,0|1,0,1]=4 405 B9R1.1 NC1=CC=C(C=O)C=C1 MC20423 [2,0,0,0,0,0|1,0,0]=3 406 B9R1.1 NCC1=CC=C(O)C=C1 CS22886 [2,0,0,0,0,0|1,0,1]=4 407 B9R1.1 O=CC1=CC=C(Br)C=C1 CS18612 [2,0,0,0,0,0|1,0,0]=3 408 B9R1.1 O=CC1=CC=C(Cl)C=C1 CS14843 [2,0,0,0,0,0|1,0,0]=3 409 B9R1.1 O=CC1=CC=C(F)C=C1 CS19072 [2,0,0,0,0,0|1,0,0]=3 410 B9R1.1 O=CC1=CC=C(I)C=C1 CS20133 [2,0,0,0,0,0|1,0,0]=3 411 B9R1.1 O=CC1=CC=C(O)C=C1 CS18686 [2,0,0,0,0,0|0,0,0]=2 412 B9R1.1 O=CC1=CN=C(Br)C=C1 CS13736 [2,0,0,0,0,0|2,0,0]=4 413 B9R1.1 O=CC1=CN=C(Cl)C=C1 CS13978 [2,0,0,0,0,0|2,0,0]=4 414 B9R1.1 O=CC1=CN=C(F)C=C1 CS19261 [2,0,0,0,0,0|2,0,0]=4 415 B9R1.1 O=CC1=CN=C(O)C=C1 CS13494 [2,0,0,0,0,0|1,0,0]=3 416 B9R1.1 O=CC1=NC=C(Br)C=C1 CS14127 [2,0,0,0,0,0|2,0,0]=4 417 B9R1.1 O=CC1=NC=C(Cl)C=C1 CS18956 [2,0,0,0,0,0|2,0,0]=4 418 B9R1.1 O=CC1=NC=C(F)C=C1 CS20057 [2,0,0,0,0,0|2,0,0]=4 419 B9R1.1 O=CC1=NC=C(O)C=C1 CS12167 [2,0,0,0,0,0|1,0,0]=3 420 B9R1.1 OCC1=CC=C(O)C=C1 CS19212 [2,0,0,0,0,0|0,0,2]=4 421 B9R1.6 C=C(C)C1=CC=NC=C1 MC111872 [2,0,0,0,0,0|2,0,0]=4 422 B9R1.6 C=C(F)C1=CC=CC=C1 MC102770 [2,0,0,0,0,0|1,0,1]=4 423 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [2,0,0,0,0,0|0,0,0]=2 424 B9R1.6 CC(=O)C1=CC=CN=C1 CS18256 [2,0,0,0,0,0|1,0,0]=3 425 B9R1.6 CC(=O)C1=CC=CN=N1 MC444225 [2,0,0,0,0,0|2,0,0]=4 426 B9R1.6 CC(=O)C1=CC=NC=C1 CS22535 [2,0,0,0,0,0|1,0,0]=3 427 B9R1.6 CC(=O)C1=CN=CN=C1 MC444371 [2,0,0,0,0,0|2,0,0]=4 428 B9R1.6 CC(=O)C1=CN=NC=C1 MC444309 [2,0,0,0,0,0|2,0,0]=4 429 B9R1.6 CC(=O)C1=NC=CC=C1 CS18611 [2,0,0,0,0,0|1,0,0]=3 430 B9R1.6 CC(=O)C1=NC=CC=N1 MC444159 [2,0,0,0,0,0|2,0,0]=4 431 B9R1.6 CC(=O)C1=NC=CN=C1 CS19346 [2,0,0,0,0,0|2,0,0]=4 432 B9R1.6 CC(=O)C1=NC=NC=C1 MC442362 [2,0,0,0,0,0|2,0,0]=4 433 B9R1.6 CC(Br)C1=CC=CC=C1 MC40570 [2,0,0,0,0,0|1,0,1]=4 434 B9R1.6 CC(N)C1=CC=CC=C1 CS10551 [2,0,0,0,0,0|1,0,1]=4 435 B9R1.6 CC(N)C1=CC=CC=C1 MC20344 [2,0,0,0,0,0|1,0,1]=4 436 B9R1.6 CC(O)C1=CC=CC=C1 MC20383 [2,0,0,0,0,0|0,0,2]=4 437 B9R1.6 CN(C)C1=CC=CC=C1 MC40906 [2,0,0,0,0,0|2,0,0]=4 438 B9R1.6 C[PH](=O)C1=CC=CC=C1 CS16386 [2,0,0,0,0,0|1,0,0]=3 439 B9R1.6 N=C(N)C1=CC=CC=C1 CS14830 [2,0,0,0,0,0|2,0,0]=4 440 B9R1.6 NC(=O)C1=CC=CC=C1 CS10962 [2,0,0,0,0,0|1,0,0]=3 441 B9R1.6 NC(=O)C1=CC=NC=C1 CS13721 [2,0,0,0,0,0|2,0,0]=4 442 B9R1.6 NC(=O)C1=NC=CC=C1 CS11910 [2,0,0,0,0,0|2,0,0]=4 443 B9R1.6 NC(=S)C1=CC=CC=C1 MC20863 [2,0,0,0,0,0|1,1,0]=4 444 B9R1.6 O=C(Cl)C1=CC=CC=C1 MC40435 [2,0,0,0,0,0|1,0,0]=3 445 B9R1.6 O=C(Cl)C1=NC=CC=C1 CS11857 [2,0,0,0,0,0|2,0,0]=4 446 B9R1.6 O=C(O)C1=CC=CC=C1 MC40233 [2,0,0,0,0,0|1,0,0]=3 447 B9R1.6 O=C(O)C1=CC=CN=C1 MC41633 [2,0,0,0,0,0|2,0,0]=4 448 B9R1.6 O=C(O)C1=NC=CC=C1 CS13384 [2,0,0,0,0,0|2,0,0]=4 449 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 MC41586 [2,0,0,0,0,0|2,0,0]=4 450 B11R1.83 C#CC1=CC=C(OCC)C=C1 CS11063 [1,1,0,0,0,0|0,0,2]=4 451 B11R1.83 CCCC1=CC=C(C=O)C=C1 MC41132 [1,1,0,0,0,0|1,0,0]=3 452 B11R1.83 CCOC1=CC=C(C=O)C=C1 CS22818 [1,1,0,0,0,0|0,0,0]=2 453 B11R1.83 CCOC1=CC=C(CN)C=C1 MC40825 [1,1,0,0,0,0|1,0,1]=4 454 B11R1.83 CCOC1=CC=C(CO)C=C1 CS22820 [1,1,0,0,0,0|0,0,2]=4 455 B11R1.83 CNCC1=CC=C(OC)C=C1 CS18429 [1,1,0,0,0,0|0,0,1]=3 456 B11R1.83 COC1=CC=C(CC#N)C=C1 CS13459 [1,1,0,0,0,0|0,0,2]=4 457 B11R1.83 COC1=CC=C(CNN)C=C1 CS20199 [1,1,0,0,0,0|1,0,1]=4 458 B11R1.83 COC1=CC=C(CNO)C=C1 MC106878 [1,1,0,0,0,0|0,0,2]=4 459 B11R1.83 COC1=CC=C(CON)C=C1 CS20566 [1,1,0,0,0,0|0,0,2]=4 460 B11R1.83 COC1=CC=C(N=C=O)C=C1 MC41047 [1,1,0,0,0,0|0,0,1]=3 461 B11R1.83 COC1=CC=C(\C=N\O)C=C1 MC427343 [1,1,0,0,0,0|0,0,1]=3 462 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 CS10928 [1,1,0,0,0,0|0,0,0]=2 463 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 CS10929 [1,1,0,0,0,0|0,0,0]=2 464 B11R1.83 O=CC1=CC=C(CCCl)C=C1 MC106352 [1,1,0,0,0,0|1,0,0]=3 465 B11R1.83 O=CC1=CC=C(CCO)C=C1 CS16581 [1,1,0,0,0,0|1,0,0]=3 466 B11R1.279 C#CC1=C(C)C=C(OC)C=C1 MC430204 [1,1,0,0,0,0|0,0,2]=4 467 B11R1.279 CNC1=CC=C(OC)C=C1N MC107631 [1,1,0,0,0,0|1,0,0]=3 468 B11R1.279 COC1=C(Br)C=C(C#N)C=C1 MC30286 [1,1,0,0,0,0|1,0,1]=4 469 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 MC30287 [1,1,0,0,0,0|0,0,0]=2 470 B11R1.279 COC1=C(C)C=C(C#N)C=C1 MC30267 [1,1,0,0,0,0|1,0,1]=4 471 B11R1.279 COC1=C(C)C=C(C=O)C=C1 CS10892 [1,1,0,0,0,0|0,0,0]=2 472 B11R1.279 COC1=C(Cl)C=C(C#N)C=C1 MC433757 [1,1,0,0,0,0|1,0,1]=4 473 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 MC41105 [1,1,0,0,0,0|0,0,0]=2 474 B11R1.279 COC1=C(Cl)C=C(CBr)C=C1 CS22687 [1,1,0,0,0,0|1,0,1]=4 475 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 CS20430 [1,1,0,0,0,0|1,0,1]=4 476 B11R1.279 COC1=C(F)C=C(C#N)C=C1 MC433110 [1,1,0,0,0,0|1,0,1]=4 477 B11R1.279 COC1=C(F)C=C(C=O)C=C1 MC30257 [1,1,0,0,0,0|0,0,0]=2 478 B11R1.279 COC1=C(F)C=C(CBr)C=C1 MC40553 [1,1,0,0,0,0|1,0,1]=4 479 B11R1.279 COC1=C(F)C=C(CCl)C=C1 MC40599 [1,1,0,0,0,0|1,0,1]=4 480 B11R1.279 COC1=C(F)C=C(CN)C=C1 MC40827 [1,1,0,0,0,0|1,0,1]=4 481 B11R1.279 COC1=C(N)C=C(C#N)C=C1 MC30250 [1,1,0,0,0,0|1,0,1]=4 482 B11R1.279 COC1=C(N)C=C(C=O)C=C1 CS22069 [1,1,0,0,0,0|0,0,0]=2 483 B11R1.279 COC1=C(O)C=C(C#N)C=C1 CS14799 [1,1,0,0,0,0|1,0,1]=4 484 B11R1.279 COC1=C(O)C=C(C=O)C=C1 CS15324 [1,1,0,0,0,0|0,0,0]=2 485 B11R1.279 COC1=C(O)C=C(CO)C=C1 CS22314 [1,1,0,0,0,0|0,0,2]=4 486 B11R1.279 COC1=CC(Br)=C(C#N)C=C1 CS13234 [1,1,0,0,0,0|1,0,1]=4 487 B11R1.279 COC1=CC(Br)=C(C=O)C=C1 MC41095 [1,1,0,0,0,0|0,0,0]=2 488 B11R1.279 COC1=CC(C)=C(C=O)C=C1 MC41126 [1,1,0,0,0,0|0,0,0]=2 489 B11R1.279 COC1=CC(Cl)=C(C#N)C=C1 CS21446 [1,1,0,0,0,0|1,0,1]=4 490 B11R1.279 COC1=CC(Cl)=C(C=O)C=C1 CS14902 [1,1,0,0,0,0|0,0,0]=2 491 B11R1.279 COC1=CC(Cl)=C(C=O)C=N1 MC431794 [1,1,0,0,0,0|1,0,0]=3 492 B11R1.279 COC1=CC(Cl)=C(NN)C=C1 MC103360 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.279 COC1=CC(F)=C(C#N)C=C1 CS10749 [1,1,0,0,0,0|1,0,1]=4 494 B11R1.279 COC1=CC(F)=C(C=O)C=C1 CS10812 [1,1,0,0,0,0|0,0,0]=2 495 B11R1.279 COC1=CC(F)=C(CCl)C=C1 MC433862 [1,1,0,0,0,0|1,0,1]=4 496 B11R1.279 COC1=CC(F)=C(CO)C=C1 MC425568 [1,1,0,0,0,0|0,0,2]=4 497 B11R1.279 COC1=CC(F)=C(NN)C=C1 CS15976 [1,1,0,0,0,0|2,0,0]=4 498 B11R1.279 COC1=CC(F)=C(OC)C=C1 CS20541 [1,1,0,0,0,0|1,0,0]=3 499 B11R1.279 COC1=CC(I)=C(C#N)C=C1 MC442269 [1,1,0,0,0,0|1,0,1]=4 500 B11R1.279 COC1=CC(N)=C(C#N)C=C1 CS17220 [1,1,0,0,0,0|1,0,1]=4 501 B11R1.279 COC1=CC(N)=C(OC)C=C1 CS21148 [1,1,0,0,0,0|1,0,0]=3 502 B11R1.279 COC1=CC(O)=C(C#N)C=C1 CS14796 [1,1,0,0,0,0|1,0,1]=4 503 B11R1.279 COC1=CC(O)=C(C=O)C=C1 CS20937 [1,1,0,0,0,0|0,0,0]=2 504 B11R1.279 COC1=CC(O)=C(OC)C=C1 CS21149 [1,1,0,0,0,0|1,0,0]=3 505 B11R1.279 COC1=NC(Br)=C(C=O)C=C1 MC431994 [1,1,0,0,0,0|1,0,0]=3 506 B11R1.279 COC1=NC(Cl)=C(C=O)C=C1 MC430651 [1,1,0,0,0,0|1,0,0]=3 507 B11R1.279 COC1=NC(F)=C(C=O)C=C1 MC441123 [1,1,0,0,0,0|1,0,0]=3 508 B11R1.279 COC1=NC=C(C=O)C=C1Br MC430406 [1,1,0,0,0,0|1,0,0]=3 509 B11R1.279 COC1=NC=C(C=O)C=C1F MC115933 [1,1,0,0,0,0|1,0,0]=3 510 B11R1.279 N#CC1=CC(Br)=C(C=O)C=C1 MC41086 [1,1,0,0,0,0|2,0,0]=4 511 B11R1.279 N#CC1=CC(F)=C(C=O)C=C1 CS20609 [1,1,0,0,0,0|2,0,0]=4 512 B11R1.279 N#CC1=CC(O)=C(C=O)C=C1 MC20819 [1,1,0,0,0,0|2,0,0]=4 513 B11R1.279 O=CC1=C(Br)C=C(CO)C=C1 MC427338 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 CS16411 [1,1,0,0,0,0|1,0,1]=4 515 B11R1.19 CC1=CC=C(S(=O)(=O)Cl)C=C1 MC20538 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS12653 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC102832 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC107660 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC111069 [1,1,0,0,0,0|2,0,0]=4 520 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC111070 [1,1,0,0,0,0|2,0,0]=4 521 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC114003 [1,1,0,0,0,0|2,0,0]=4 522 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC115790 [1,1,0,0,0,0|2,0,0]=4 523 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC20639 [1,1,0,0,0,0|2,0,0]=4 524 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC20805 [1,1,0,0,0,0|2,0,0]=4 525 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC33259 [1,1,0,0,0,0|2,0,0]=4 526 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC425317 [1,1,0,0,0,0|2,0,0]=4 527 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC425323 [1,1,0,0,0,0|2,0,0]=4 528 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 CS11880 [1,1,0,0,0,0|2,0,0]=4 529 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 MC425821 [1,1,0,0,0,0|2,0,0]=4 530 B11R1.19 CC1=CC=C(S(N)(=O)=O)C=C1 CS22966 [1,1,0,0,0,0|2,0,0]=4 531 B11R1.19 CC1=CC=C([S-](=O)(=O)=O)C=C1 MC112812 [1,1,0,0,0,0|2,0,0]=4 532 B11R1.19 CS(=O)(=O)C1=CC=C(Br)C=C1 CS10464 [1,1,0,0,0,0|2,0,0]=4 533 B11R1.19 CS(=O)(=O)C1=CC=C(Cl)C=C1 CS16414 [1,1,0,0,0,0|2,0,0]=4 534 B11R1.19 CS(=O)(=O)C1=CC=C(F)C=C1 CS20302 [1,1,0,0,0,0|2,0,0]=4 535 B11R1.19 CS(=O)(=O)C1=CC=C(N)C=C1 CS20413 [1,1,0,0,0,0|2,0,0]=4 536 B11R1.19 CS(=O)(=O)C1=CC=C(O)C=C1 CS20393 [1,1,0,0,0,0|1,0,0]=3 537 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 MC436139 [1,1,0,0,0,0|2,0,0]=4 538 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 MC41231 [1,1,0,0,0,0|0,0,0]=2 539 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 MC41229 [1,1,0,0,0,0|1,0,0]=3 540 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 CS20410 [1,1,0,0,0,0|1,0,0]=3 541 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 MC41240 [1,1,0,0,0,0|1,0,0]=3 542 B11R1.21 CC(=O)C1=CC(C)=C(Cl)N=C1 MC115594 [1,1,0,0,0,0|2,0,0]=4 543 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 CS21693 [1,1,0,0,0,0|1,0,0]=3 544 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 CS15561 [1,1,0,0,0,0|1,0,0]=3 545 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 CS10715 [1,1,0,0,0,0|1,0,0]=3 546 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 CS18939 [1,1,0,0,0,0|1,0,0]=3 547 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 CS22282 [1,1,0,0,0,0|1,0,0]=3 548 B11R1.21 CC(=O)C1=CC(F)=C(N)C=C1 CS16308 [1,1,0,0,0,0|1,0,0]=3 549 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 CS10813 [1,1,0,0,0,0|0,0,0]=2 550 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 CS10863 [1,1,0,0,0,0|0,0,0]=2 551 B11R1.21 CC(=O)c1ccc(Br)c(Br)c1 MC433228 [1,1,0,0,0,0|1,0,0]=3 552 B11R1.21 CC(=O)c1ccc(Cl)c(F)c1 MC433221 [1,1,0,0,0,0|1,0,0]=3 553 B11R1.21 CC(=O)c1ccc(Cl)c(N)c1 MC433203 [1,1,0,0,0,0|1,0,0]=3 554 B11R1.21 CC(=O)c1ccc(F)c(F)c1 CS19019 [1,1,0,0,0,0|1,0,0]=3 555 B11R1.21 CC(=O)c1ccc(F)c(N)c1 MC433205 [1,1,0,0,0,0|1,0,0]=3 556 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 CS20811 [1,1,0,0,0,0|1,0,0]=3 557 B11R1.21 CC1=C(Br)C=C([N+](=O)[O-])C=C1 CS20182 [1,1,0,0,0,0|2,0,0]=4 558 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 MC433136 [1,1,0,0,0,0|2,0,0]=4 559 B11R1.21 CC1=C(Br)C=CC(C(N)=O)=C1 MC41013 [1,1,0,0,0,0|2,0,0]=4 560 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 CS21076 [1,1,0,0,0,0|1,0,0]=3 561 B11R1.21 CC1=C(C)C=C([N+](=O)[O-])C=C1 CS19756 [1,1,0,0,0,0|2,0,0]=4 562 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 MC111082 [1,1,0,0,0,0|2,0,0]=4 563 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 CS20828 [1,1,0,0,0,0|1,0,0]=3 564 B11R1.21 CC1=C(Cl)C=C(C(=O)[O-])C=C1 MC40343 [1,1,0,0,0,0|1,0,0]=3 565 B11R1.21 CC1=C(Cl)C=C([N+](=O)[O-])C=C1 MC41509 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 MC433626 [1,1,0,0,0,0|2,0,0]=4 567 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 CS19324 [1,1,0,0,0,0|2,0,0]=4 568 B11R1.21 CC1=C(Cl)N=C(C(=O)O)C=C1 CS14760 [1,1,0,0,0,0|2,0,0]=4 569 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 CS21927 [1,1,0,0,0,0|1,0,0]=3 570 B11R1.21 CC1=C(F)C=C([N+](=O)[O-])C=C1 CS10432 [1,1,0,0,0,0|2,0,0]=4 571 B11R1.21 CC1=C(F)C=CC(C(=O)Cl)=C1 MC40481 [1,1,0,0,0,0|2,0,0]=4 572 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 CS14298 [1,1,0,0,0,0|2,0,0]=4 573 B11R1.21 CC1=C(I)C=C(C(=O)Cl)C=C1 MC433702 [1,1,0,0,0,0|1,0,0]=3 574 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 CS21937 [1,1,0,0,0,0|1,0,0]=3 575 B11R1.21 CC1=C(I)C=C([N+](=O)[O-])C=C1 MC434021 [1,1,0,0,0,0|2,0,0]=4 576 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 CS21906 [1,1,0,0,0,0|1,0,0]=3 577 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 MC433331 [1,1,0,0,0,0|1,0,1]=4 578 B11R1.21 CC1=C(N)C=C([N+](=O)[O-])C=C1 CS16439 [1,1,0,0,0,0|2,0,0]=4 579 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 CS21001 [1,1,0,0,0,0|2,0,0]=4 580 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 CS20943 [1,1,0,0,0,0|1,0,0]=3 581 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 MC20541 [1,1,0,0,0,0|1,0,1]=4 582 B11R1.21 CC1=C(O)C=C([N+](=O)[O-])C=C1 CS10489 [1,1,0,0,0,0|2,0,0]=4 583 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 CS20947 [1,1,0,0,0,0|1,0,0]=3 584 B11R1.21 CC1=C(O)C=CC([N+](=O)[O-])=C1 MC433397 [1,1,0,0,0,0|2,0,0]=4 585 B11R1.21 CC1=CC=C(C(=O)O)NC1=O CS16105 [1,1,0,0,0,0|2,0,0]=4 586 B11R1.21 CC1=CN=C(C(=O)O)C=C1Br MC432004 [1,1,0,0,0,0|2,0,0]=4 587 B11R1.21 CC1=CN=C(C(=O)O)C=C1Cl CS17916 [1,1,0,0,0,0|2,0,0]=4 588 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 MC40225 [1,1,0,0,0,0|2,0,0]=4 589 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 MC33100 [1,1,0,0,0,0|2,0,0]=4 590 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 CS20206 [1,1,0,0,0,0|2,0,0]=4 591 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 CS20228 [1,1,0,0,0,0|2,0,0]=4 592 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 CS10439 [1,1,0,0,0,0|2,0,0]=4 593 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 MC10142 [1,1,0,0,0,0|2,0,0]=4 594 B11R1.21 NC1=C(I)C=CC(C(=O)O)=C1 MC31156 [1,1,0,0,0,0|2,0,0]=4 595 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 CS20381 [1,1,0,0,0,0|2,0,0]=4 596 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 CS20332 [1,1,0,0,0,0|2,0,0]=4 597 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 CS10491 [1,1,0,0,0,0|1,0,0]=3 598 B11R1.21 NC1=C(O)C=CC([N+](=O)[O-])=C1 MC41144 [1,1,0,0,0,0|2,0,0]=4 599 B11R1.21 NC1=CC=C(C(=O)O)C=C1Cl MC20248 [1,1,0,0,0,0|2,0,0]=4 600 B11R1.21 O=C(Cl)C1=CC(Cl)=C(Cl)C=C1 MC21024 [1,1,0,0,0,0|2,0,0]=4 601 B11R1.21 O=C(Cl)C1=CC(Cl)=C(F)C=C1 MC30275 [1,1,0,0,0,0|2,0,0]=4 602 B11R1.21 O=C(Cl)C1=CC(F)=C(Br)C=C1 MC40445 [1,1,0,0,0,0|2,0,0]=4 603 B11R1.21 O=C(Cl)C1=CC(F)=C(Cl)C=C1 MC40454 [1,1,0,0,0,0|2,0,0]=4 604 B11R1.21 O=C(Cl)C1=CC(F)=C(F)C=C1 MC30095 [1,1,0,0,0,0|2,0,0]=4 605 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 CS13169 [1,1,0,0,0,0|2,0,0]=4 606 B11R1.21 O=C(O)C1=CC(Br)=C(Br)C=C1 MC433643 [1,1,0,0,0,0|2,0,0]=4 607 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)C=C1 CS19835 [1,1,0,0,0,0|2,0,0]=4 608 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 CS21914 [1,1,0,0,0,0|2,0,0]=4 609 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 CS16354 [1,1,0,0,0,0|2,0,0]=4 610 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 MC40236 [1,1,0,0,0,0|2,0,0]=4 611 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=C1 CS14672 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 CS19962 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 CS20110 [1,1,0,0,0,0|1,0,0]=3 614 B11R1.21 O=C(O)C1=CC(F)=C(Br)C=C1 CS21990 [1,1,0,0,0,0|2,0,0]=4 615 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 CS19967 [1,1,0,0,0,0|2,0,0]=4 616 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 CS20015 [1,1,0,0,0,0|2,0,0]=4 617 B11R1.21 O=C(O)C1=CC(F)=C(I)C=C1 CS22285 [1,1,0,0,0,0|2,0,0]=4 618 B11R1.21 O=C(O)C1=CC(F)=C(O)C=C1 MC40282 [1,1,0,0,0,0|1,0,0]=3 619 B11R1.21 O=C(O)C1=CC(I)=C(Br)C=C1 MC441218 [1,1,0,0,0,0|2,0,0]=4 620 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 MC434062 [1,1,0,0,0,0|2,0,0]=4 621 B11R1.21 O=C(O)C1=CC(I)=C(F)C=C1 CS12746 [1,1,0,0,0,0|2,0,0]=4 622 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 MC441219 [1,1,0,0,0,0|2,0,0]=4 623 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 CS22662 [1,1,0,0,0,0|2,0,0]=4 624 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 CS20111 [1,1,0,0,0,0|2,0,0]=4 625 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 MC40283 [1,1,0,0,0,0|2,0,0]=4 626 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 CS18380 [1,1,0,0,0,0|2,0,0]=4 627 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 CS20259 [1,1,0,0,0,0|1,0,0]=3 628 B11R1.21 O=C(O)C1=CC=C(O)C(=O)N1 CS17670 [1,1,0,0,0,0|2,0,0]=4 629 B11R1.21 O=C(O)C1=NC(Cl)=C(O)C=C1 MC432469 [1,1,0,0,0,0|2,0,0]=4 630 B11R1.21 O=C(O)C1=NC=C(O)C(Cl)=C1 MC432602 [1,1,0,0,0,0|2,0,0]=4 631 B11R1.21 O=C([O-])C1=CC(Cl)=C(F)C=C1 MC40342 [1,1,0,0,0,0|2,0,0]=4 632 B11R1.21 O=C([O-])C1=CC(F)=C(F)C=C1 MC40348 [1,1,0,0,0,0|2,0,0]=4 633 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(O)C=C1 CS18789 [1,1,0,0,0,0|2,0,0]=4 634 B11R1.21 O=[N+]([O-])C1=CC(Cl)=C(O)C=C1 CS18855 [1,1,0,0,0,0|2,0,0]=4 635 B11R1.21 O=[N+]([O-])C1=CC(F)=C(O)C=C1 MC30320 [1,1,0,0,0,0|2,0,0]=4 636 B11R1.22 CC(CN)C1=CC=C(O)C=C1 MC116255 [1,1,0,0,0,0|1,0,1]=4 637 B11R1.22 CC1=CC=C(C(=O)CBr)C=N1 MC431197 [1,1,0,0,0,0|1,0,0]=3 638 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 CS22698 [1,1,0,0,0,0|1,0,0]=3 639 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 CS22795 [1,1,0,0,0,0|1,0,0]=3 640 B11R1.22 CCC(=O)C1=CC=C(Cl)N=C1 CS20436 [1,1,0,0,0,0|2,0,0]=4 641 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 CS22846 [1,1,0,0,0,0|1,0,0]=3 642 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 CS15690 [1,1,0,0,0,0|0,0,0]=2 643 B11R1.22 CNC(=O)C1=CN=C(Cl)C=C1 MC33519 [1,1,0,0,0,0|2,0,0]=4 644 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 CS15303 [1,1,0,0,0,0|1,0,0]=3 645 B11R1.22 COC(=O)C1=CC=C(C)C=C1 MC40114 [1,1,0,0,0,0|0,0,0]=2 646 B11R1.22 COC(=O)C1=CC=C(F)C=C1 CS20841 [1,1,0,0,0,0|1,0,0]=3 647 B11R1.22 COC(=O)C1=CC=C(I)C=C1 CS20853 [1,1,0,0,0,0|1,0,0]=3 648 B11R1.22 COC(=O)C1=CC=C(N)C=C1 CS20990 [1,1,0,0,0,0|1,0,0]=3 649 B11R1.22 COC(=O)C1=CC=C(O)C=C1 CS19446 [1,1,0,0,0,0|0,0,0]=2 650 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 CS14052 [1,1,0,0,0,0|2,0,0]=4 651 B11R1.22 COC(=O)C1=CN=C(C)C=C1 CS10875 [1,1,0,0,0,0|1,0,0]=3 652 B11R1.22 COC(=O)C1=CN=C(F)C=C1 CS13697 [1,1,0,0,0,0|2,0,0]=4 653 B11R1.22 COC(=O)C1=CN=C(N)C=C1 CS14193 [1,1,0,0,0,0|2,0,0]=4 654 B11R1.22 COC(=O)C1=CN=C(O)C=C1 CS19248 [1,1,0,0,0,0|1,0,0]=3 655 B11R1.22 COC(=O)C1=COC(=O)C=C1 CS19181 [1,1,0,0,0,0|1,0,1]=4 656 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 CS14099 [1,1,0,0,0,0|2,0,0]=4 657 B11R1.22 COC(=O)C1=NC=C(C)C=C1 CS15553 [1,1,0,0,0,0|1,0,0]=3 658 B11R1.22 COC(=O)C1=NC=C(C)C=N1 MC115976 [1,1,0,0,0,0|2,0,0]=4 659 B11R1.22 COC(=O)C1=NC=C(F)C=C1 CS16224 [1,1,0,0,0,0|2,0,0]=4 660 B11R1.22 COC(=O)C1=NC=C(N)C=C1 CS21755 [1,1,0,0,0,0|2,0,0]=4 661 B11R1.22 COC(=O)C1=NC=C(O)C=C1 CS10406 [1,1,0,0,0,0|1,0,0]=3 662 B11R1.22 COC(=O)C1=NC=C(O)N=C1 CS19747 [1,1,0,0,0,0|2,0,0]=4 663 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 CS10839 [1,1,0,0,0,0|1,0,0]=3 664 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 CS20894 [1,1,0,0,0,0|1,0,0]=3 665 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 MC33165 [1,1,0,0,0,0|2,0,0]=4 666 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 MC20179 [1,1,0,0,0,0|2,0,0]=4 667 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 MC41002 [1,1,0,0,0,0|2,0,0]=4 668 B11R1.22 NNC(=O)C1=CC=C(I)C=C1 MC41004 [1,1,0,0,0,0|2,0,0]=4 669 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 MC41003 [1,1,0,0,0,0|1,0,0]=3 670 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 CS19445 [1,1,0,0,0,0|1,0,0]=3 671 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 MC433210 [1,1,0,0,0,0|1,0,0]=3 672 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 CS20678 [1,1,0,0,0,0|1,0,0]=3 673 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 CS10771 [1,1,0,0,0,0|0,0,0]=2 674 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 CS14324 [1,1,0,0,0,0|1,0,0]=3 675 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 MC41236 [1,1,0,0,0,0|1,0,0]=3 676 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 CS15989 [1,1,0,0,0,0|1,0,1]=4 677 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 MC427408 [1,1,0,0,0,0|1,0,1]=4 678 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 CS20192 [1,1,0,0,0,0|1,0,1]=4 679 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 CS18120 [1,1,0,0,0,0|0,0,1]=3 680 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=C1 MC41228 [1,1,0,0,0,0|1,0,0]=3 681 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 MC433202 [1,1,0,0,0,0|1,0,0]=3 682 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 CS21355 [1,1,0,0,0,0|0,0,0]=2 683 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 MC111201 [1,1,0,0,0,0|1,0,0]=3 684 B11R1.166 CC(=O)C1=C(C)C=C(F)C=C1 MC41255 [1,1,0,0,0,0|1,0,0]=3 685 B11R1.166 CC(=O)C1=C(Cl)C=C(Br)C=C1 CS14036 [1,1,0,0,0,0|1,0,0]=3 686 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 CS21093 [1,1,0,0,0,0|1,0,0]=3 687 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=C1 CS21444 [1,1,0,0,0,0|1,0,0]=3 688 B11R1.166 CC(=O)C1=C(Cl)C=C(N)C=C1 MC425453 [1,1,0,0,0,0|1,0,0]=3 689 B11R1.166 CC(=O)C1=C(Cl)C=C(O)C=C1 CS20824 [1,1,0,0,0,0|0,0,0]=2 690 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 CS20682 [1,1,0,0,0,0|1,0,0]=3 691 B11R1.166 CC(=O)C1=C(F)C=C(C)C=C1 MC430999 [1,1,0,0,0,0|0,0,0]=2 692 B11R1.166 CC(=O)C1=C(F)C=C(Cl)C=C1 CS22739 [1,1,0,0,0,0|1,0,0]=3 693 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 CS19013 [1,1,0,0,0,0|1,0,0]=3 694 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 CS16419 [1,1,0,0,0,0|0,0,0]=2 695 B11R1.166 CC(=O)C1=C(N)C=C(F)C=C1 MC431781 [1,1,0,0,0,0|1,0,0]=3 696 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 CS22645 [1,1,0,0,0,0|1,0,0]=3 697 B11R1.166 CC(=O)C1=C(O)C=C(Cl)C=C1 MC10406 [1,1,0,0,0,0|1,0,0]=3 698 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 MC10405 [1,1,0,0,0,0|1,0,0]=3 699 B11R1.166 CC(=O)C1=C(O)C=C(N)C=C1 CS20409 [1,1,0,0,0,0|1,0,0]=3 700 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 CS19678 [1,1,0,0,0,0|0,0,0]=2 701 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1Cl CS13204 [1,1,0,0,0,0|2,0,0]=4 702 B11R1.166 CC(=O)C1=CC=C(F)N=C1F CS16677 [1,1,0,0,0,0|2,0,0]=4 703 B11R1.166 CC(=O)C1=NC=C(F)C=C1Cl MC111197 [1,1,0,0,0,0|2,0,0]=4 704 B11R1.166 CC(=O)C1=NC=C(F)C=C1F CS15746 [1,1,0,0,0,0|2,0,0]=4 705 B11R1.166 CC(=O)c1ncc(C)cc1C MC111085 [1,1,0,0,0,0|1,0,0]=3 706 B11R1.166 CC1=C(C(=O)Cl)C=CC(F)=C1 MC40480 [1,1,0,0,0,0|2,0,0]=4 707 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=C1 CS15606 [1,1,0,0,0,0|2,0,0]=4 708 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 CS22749 [1,1,0,0,0,0|2,0,0]=4 709 B11R1.166 CC1=C(C(=O)O)C=CC(F)=C1 CS21999 [1,1,0,0,0,0|2,0,0]=4 710 B11R1.166 CC1=C(C(=O)O)C=CC(N)=C1 CS18188 [1,1,0,0,0,0|2,0,0]=4 711 B11R1.166 CC1=C(C(=O)O)C=CC(O)=C1 CS12971 [1,1,0,0,0,0|1,0,0]=3 712 B11R1.166 CC1=CC(=O)C(C(=O)O)=CN1 CS12084 [1,1,0,0,0,0|2,0,0]=4 713 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 CS21362 [1,1,0,0,0,0|1,0,0]=3 714 B11R1.166 CC1=CC(Br)=C(C(C)N)C=C1 MC112224 [1,1,0,0,0,0|1,0,1]=4 715 B11R1.166 CC1=CC(Br)=C([N+](=O)[O-])C=C1 MC41504 [1,1,0,0,0,0|2,0,0]=4 716 B11R1.166 CC1=CC(C)=C(C(=O)Cl)C=C1 MC40470 [1,1,0,0,0,0|1,0,0]=3 717 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 CS21071 [1,1,0,0,0,0|1,0,0]=3 718 B11R1.166 CC1=CC(C)=NC=C1C(=O)O CS22514 [1,1,0,0,0,0|2,0,0]=4 719 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 CS21449 [1,1,0,0,0,0|1,0,0]=3 720 B11R1.166 CC1=CC(Cl)=C([N+](=O)[O-])C=C1 CS10416 [1,1,0,0,0,0|2,0,0]=4 721 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 CS20842 [1,1,0,0,0,0|1,0,0]=3 722 B11R1.166 CC1=CC(F)=C([N+](=O)[O-])C=C1 CS10440 [1,1,0,0,0,0|2,0,0]=4 723 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 CS13976 [1,1,0,0,0,0|1,0,0]=3 724 B11R1.166 CC1=CC(N)=C(C(N)=O)C=C1 CS20440 [1,1,0,0,0,0|1,0,0]=3 725 B11R1.166 CC1=CC(N)=C([N+](=O)[O-])C=C1 CS20383 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 CS20948 [1,1,0,0,0,0|1,0,0]=3 727 B11R1.166 CC1=CC(O)=CC=C1[N+](=O)[O-] CS20328 [1,1,0,0,0,0|2,0,0]=4 728 B11R1.166 CC1=CN=C(C(=O)O)C(Br)=C1 CS15720 [1,1,0,0,0,0|2,0,0]=4 729 B11R1.166 CC1=CN=C(C(=O)O)C(F)=C1 MC103700 [1,1,0,0,0,0|2,0,0]=4 730 B11R1.166 CC1=NC(Cl)=C(C(=O)O)C=C1 CS20205 [1,1,0,0,0,0|2,0,0]=4 731 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=C1 CS15914 [1,1,0,0,0,0|2,0,0]=4 732 B11R1.166 CC1=NC=C(C(=O)O)C(F)=C1 MC432353 [1,1,0,0,0,0|2,0,0]=4 733 B11R1.166 CC1=NC=C(C(=O)O)C(N)=C1 CS12116 [1,1,0,0,0,0|2,0,0]=4 734 B11R1.166 CC1=NC=C(C(=O)O)C(O)=C1 CS20333 [1,1,0,0,0,0|2,0,0]=4 735 B11R1.166 NC(=O)C1=C(Br)C=C(Br)C=C1 MC433800 [1,1,0,0,0,0|2,0,0]=4 736 B11R1.166 NC(=O)C1=C(Br)C=C(F)C=C1 MC430721 [1,1,0,0,0,0|2,0,0]=4 737 B11R1.166 NC(=O)C1=C(Br)C=C(I)C=C1 MC432630 [1,1,0,0,0,0|2,0,0]=4 738 B11R1.166 NC(=O)C1=C(N)C=C(Br)C=C1 MC111276 [1,1,0,0,0,0|2,0,0]=4 739 B11R1.166 NC(=O)C1=C(N)C=C(Cl)C=C1 CS14625 [1,1,0,0,0,0|2,0,0]=4 740 B11R1.166 NC(=O)C1=C(N)C=C(F)C=C1 CS15300 [1,1,0,0,0,0|2,0,0]=4 741 B11R1.166 NC(=O)C1=C(N)C=C(O)C=C1 MC445681 [1,1,0,0,0,0|1,0,0]=3 742 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=C1 CS20180 [1,1,0,0,0,0|2,0,0]=4 743 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 CS20207 [1,1,0,0,0,0|2,0,0]=4 744 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 CS21809 [1,1,0,0,0,0|2,0,0]=4 745 B11R1.166 NC1=C(C(=O)O)C=CC(I)=C1 CS21253 [1,1,0,0,0,0|2,0,0]=4 746 B11R1.166 NC1=C(C(=O)O)C=CC(O)=C1 CS12851 [1,1,0,0,0,0|1,0,0]=3 747 B11R1.166 NC1=C([N+](=O)[O-])C=CC(O)=C1 MC30063 [1,1,0,0,0,0|2,0,0]=4 748 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 CS10414 [1,1,0,0,0,0|2,0,0]=4 749 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 CS20227 [1,1,0,0,0,0|2,0,0]=4 750 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 CS22593 [1,1,0,0,0,0|2,0,0]=4 751 B11R1.166 NC1=CC(O)=NC=C1C(=O)O CS22578 [1,1,0,0,0,0|2,0,0]=4 752 B11R1.166 O=C(Cl)C1=C(F)C=C(Br)C=C1 MC40444 [1,1,0,0,0,0|2,0,0]=4 753 B11R1.166 O=C(Cl)C1=C(F)C=C(F)C=C1 MC40465 [1,1,0,0,0,0|2,0,0]=4 754 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=C1 CS21072 [1,1,0,0,0,0|2,0,0]=4 755 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)C=C1 CS19824 [1,1,0,0,0,0|2,0,0]=4 756 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=C1 CS21353 [1,1,0,0,0,0|2,0,0]=4 757 B11R1.166 O=C(O)C1=C(Br)C=C(I)C=C1 CS15275 [1,1,0,0,0,0|2,0,0]=4 758 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 CS10220 [1,1,0,0,0,0|2,0,0]=4 759 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 CS14611 [1,1,0,0,0,0|2,0,0]=4 760 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 MC40252 [1,1,0,0,0,0|2,0,0]=4 761 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 CS20109 [1,1,0,0,0,0|1,0,0]=3 762 B11R1.166 O=C(O)C1=C(Cl)N=C(O)C=C1 CS19029 [1,1,0,0,0,0|2,0,0]=4 763 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 CS21987 [1,1,0,0,0,0|2,0,0]=4 764 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 MC40253 [1,1,0,0,0,0|2,0,0]=4 765 B11R1.166 O=C(O)C1=C(F)C=C(F)C=C1 MC40267 [1,1,0,0,0,0|2,0,0]=4 766 B11R1.166 O=C(O)C1=C(F)C=C(I)C=C1 CS21546 [1,1,0,0,0,0|2,0,0]=4 767 B11R1.166 O=C(O)C1=C(F)C=C(O)C=C1 CS10370 [1,1,0,0,0,0|1,0,0]=3 768 B11R1.166 O=C(O)C1=C(F)C=C(S)C=C1 MC106336 [1,1,0,0,0,0|1,1,0]=4 769 B11R1.166 O=C(O)C1=C(I)C=C(Cl)C=C1 CS22743 [1,1,0,0,0,0|2,0,0]=4 770 B11R1.166 O=C(O)C1=C(I)C=C(F)C=C1 CS14997 [1,1,0,0,0,0|2,0,0]=4 771 B11R1.166 O=C(O)C1=C(I)C=C(O)C=C1 MC442268 [1,1,0,0,0,0|1,0,0]=3 772 B11R1.166 O=C(O)C1=C(O)C=C(Br)C=C1 MC30324 [1,1,0,0,0,0|2,0,0]=4 773 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 CS14628 [1,1,0,0,0,0|2,0,0]=4 774 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 CS14175 [1,1,0,0,0,0|2,0,0]=4 775 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 MC33215 [1,1,0,0,0,0|1,0,0]=3 776 B11R1.166 O=C(O)C1=CN=C(O)C=C1Cl CS15170 [1,1,0,0,0,0|2,0,0]=4 777 B11R1.166 O=C([O-])C1=C(F)C=C(F)C=C1 MC40347 [1,1,0,0,0,0|2,0,0]=4 778 B11R1.166 O=[N+]([O-])C1=C(Br)C=C(O)C=C1 MC106939 [1,1,0,0,0,0|2,0,0]=4 779 B11R1.166 O=[N+]([O-])C1=C(Cl)C=C(O)C=C1 CS15925 [1,1,0,0,0,0|2,0,0]=4 780 B11R1.166 O=[N+]([O-])C1=C(F)C=C(O)C=C1 CS22937 [1,1,0,0,0,0|2,0,0]=4 781 B11R1.166 O=[N+]([O-])C1=C(I)C=C(O)C=C1 CS14969 [1,1,0,0,0,0|2,0,0]=4 782 B11R1.166 O=[N+]([O-])C1=C(O)C=C(O)C=C1 MC442453 [1,1,0,0,0,0|2,0,0]=4 783 B13R1.4 COC1=CC=C(CC(C)(C)N)C=C1 MC445286 [0,1,0,0,0,1|1,0,1]=4 784 B13R1.5 COC(=O)CC1=CC=C(C#N)C=C1 CS18347 [0,1,0,0,0,1|2,0,0]=4 785 B13R1.5 COC(=O)CC1=CC=C(C=O)C=C1 MC427596 [0,1,0,0,0,1|2,0,0]=4 786 B13R1.5 COC(=O)CC1=CC=C(CBr)C=C1 MC40073 [0,1,0,0,0,1|2,0,0]=4 787 B13R1.5 COC(=O)CC1=CC=C(CN)C=C1 MC40062 [0,1,0,0,0,1|2,0,0]=4 788 B13R1.35 COC1=C(Br)C=C(CC(=O)O)C=C1 MC40149 [0,1,0,0,0,1|1,0,0]=3 789 B13R1.35 COC1=C(C)C=C(CC(=O)O)C=C1 CS11122 [0,1,0,0,0,1|1,0,0]=3 790 B13R1.35 COC1=C(F)C=C(CC(=O)O)C=C1 MC40168 [0,1,0,0,0,1|1,0,0]=3 791 B13R1.35 COC1=C(F)C=C(NC(C)=O)C=C1 MC106799 [0,1,0,0,0,1|0,0,0]=2 792 B13R1.36 COC1=CC=C(C(=O)C(C)=O)C=C1 CS18460 [0,1,0,0,0,1|0,0,0]=2 793 B13R1.36 COC1=CC=C(C(C)C(=O)O)C=C1 MC106807 [0,1,0,0,0,1|1,0,0]=3 794 B13R1.36 COC1=CC=C(C(O)C(=O)O)C=C1 CS14677 [0,1,0,0,0,1|1,0,0]=3 795 B13R1.36 COC1=CC=C(C(O)C(=O)O)C=C1 CS20288 [0,1,0,0,0,1|1,0,0]=3 796 B13R1.36 COC1=CC=C(C(O)C(C)C)C=C1 MC33344 [0,1,0,0,0,1|1,0,1]=4 797 B13R1.142 CCCC1=CC=C(CC(=O)O)C=C1 MC40189 [0,1,0,0,0,1|2,0,0]=4 798 B13R1.585 CC(=O)CC1=CC=C([N+](=O)[O-])C=C1 MC41290 [0,1,0,0,0,1|2,0,0]=4 799 B13R1.585 CC(=O)OC1=CC=C([N+](=O)[O-])C=C1 MC33268 [0,1,0,0,0,1|2,0,0]=4 800 B13R1.653 COC1=CC(Br)=C(CC(=O)O)C=C1 MC40148 [0,1,0,0,0,1|1,0,0]=3 801 B13R1.653 COC1=CC(Cl)=C(CC(=O)O)C=C1 MC20587 [0,1,0,0,0,1|1,0,0]=3 802 B13R1.653 COC1=CC(Cl)=C(CC(C)=O)C=C1 MC110578 [0,1,0,0,0,1|0,0,0]=2 803 B13R1.653 COC1=CC(F)=C(CC(=O)O)C=C1 CS16204 [0,1,0,0,0,1|1,0,0]=3 804 B13R1.39 COC1=CC=C(C(CN)CO)C=C1 MC105885 [0,2,0,0,0,0|0,0,2]=4 805 B13R1.39 COC1=CC=C(C(CN)CO)C=C1 MC105886 [0,2,0,0,0,0|0,0,2]=4 806 B13R1.95 COC(=O)C1=C(Br)C=C(CBr)C=C1 CS11683 [0,2,0,0,0,0|2,0,0]=4 807 B13R1.95 COC(=O)C1=C(Cl)C=C(C#N)C=C1 CS13811 [0,2,0,0,0,0|2,0,0]=4 808 B13R1.95 COC(=O)C1=C(Cl)N=C(OC)C=C1 CS11602 [0,2,0,0,0,0|1,0,0]=3 809 B13R1.95 COC(=O)C1=C(F)C=C(C#N)C=C1 MC40090 [0,2,0,0,0,0|2,0,0]=4 810 B13R1.95 COC(=O)C1=C(F)C=C(CBr)C=C1 MC429306 [0,2,0,0,0,0|2,0,0]=4 811 B13R1.95 COC(=O)C1=C(F)C=C(OC)C=C1 CS13585 [0,2,0,0,0,0|0,0,0]=2 812 B13R1.139 COC(=O)C1=CC=C(CC#N)C=C1 CS11360 [0,2,0,0,0,0|1,0,1]=4 813 B13R1.139 COC(=O)C1=CC=C(CC=O)C=C1 MC106359 [0,2,0,0,0,0|1,0,1]=4 814 B13R1.139 COC(=O)C1=CC=C(CCBr)C=C1 MC40068 [0,2,0,0,0,0|1,0,0]=3 815 B13R1.139 COC(=O)C1=CC=C(CCN)C=C1 MC106653 [0,2,0,0,0,0|1,0,0]=3 816 B13R1.139 COC(=O)c1ccc(N=C=O)cc1 MC433980 [0,2,0,0,0,0|1,0,1]=4 817 B13R1.452 CCOC(=O)C1=CC=C(C#N)C=C1 CS15724 [0,2,0,0,0,0|2,0,0]=4 818 B13R1.537 CCC(=O)C1=CC=C(B(O)O)C=C1 MC441467 [0,2,0,0,0,0|2,0,0]=4 819 B13R1.537 CNC(=O)C1=CC=C(B(O)O)C=C1 CS13552 [0,2,0,0,0,0|2,0,0]=4 820 B13R1.537 COC(=O)C1=CC=C(B(O)O)C=C1 CS20978 [0,2,0,0,0,0|2,0,0]=4 821 B13R1.537 COC(=O)C1=CC=C(C(=O)Cl)C=C1 MC40078 [0,2,0,0,0,0|1,0,0]=3 822 B13R1.537 COC(=O)C1=CC=C(C(=O)O)C=C1 CS21635 [0,2,0,0,0,0|1,0,0]=3 823 B13R1.537 COC(=O)C1=CC=C(C(C)=O)C=C1 CS11067 [0,2,0,0,0,0|0,0,0]=2 824 B13R1.537 COC(=O)C1=CC=C(C(C)N)C=C1 CS16094 [0,2,0,0,0,0|1,0,0]=3 825 B13R1.537 O=C(CBr)C1=CC=C([N+](=O)[O-])C=C1 CS20690 [0,2,0,0,0,0|2,0,0]=4 826 B13R1.537 O=C(CO)C1=CC=C([N+](=O)[O-])C=C1 MC425684 [0,2,0,0,0,0|2,0,0]=4 827 B13R1.537 O=C(O)C1=CC=C(C(=O)CBr)C=C1 CS21501 [0,2,0,0,0,0|2,0,0]=4 828 B13R1.3088 CCC(N)C1=CC(Br)=C(OC)C=C1 MC112070 [0,2,0,0,0,0|1,0,1]=4 829 B13R1.3088 COC(=O)C1=CC(Br)=C(C#N)C=C1 MC427582 [0,2,0,0,0,0|2,0,0]=4 830 B13R1.3088 COC(=O)C1=CC(Br)=C(C=O)C=C1 CS16856 [0,2,0,0,0,0|2,0,0]=4 831 B13R1.3088 COC(=O)C1=CC(C)=C(C#N)C=C1 CS12676 [0,2,0,0,0,0|2,0,0]=4 832 B13R1.3088 COC(=O)C1=CC(C)=C(OC)N=C1 MC115595 [0,2,0,0,0,0|1,0,0]=3 833 B13R1.3088 COC(=O)C1=CC(Cl)=C(C#N)C=C1 CS15776 [0,2,0,0,0,0|2,0,0]=4 834 B13R1.3088 COC(=O)C1=CC(Cl)=C(CBr)C=C1 CS11634 [0,2,0,0,0,0|2,0,0]=4 835 B13R1.3088 COC(=O)C1=CC(F)=C(C#N)C=C1 MC40091 [0,2,0,0,0,0|2,0,0]=4 836 B13R1.3088 COC(=O)C1=CC(F)=C(C=O)C=C1 CS15741 [0,2,0,0,0,0|2,0,0]=4 837 B13R1.3088 COC(=O)C1=CC(F)=C(CBr)C=C1 CS22688 [0,2,0,0,0,0|2,0,0]=4 838 B13R1.3088 COC(=O)C1=CC(F)=C(CO)C=C1 CS15475 [0,2,0,0,0,0|2,0,0]=4 839 B13R1.3088 COC(=O)C1=CC(I)=C(OC)C=C1 MC40107 [0,2,0,0,0,0|0,0,0]=2 840 B13R1.3088 COC(=O)C1=CC(N)=C(CN)C=C1 MC40054 [0,2,0,0,0,0|2,0,0]=4 841 B13R1.3088 COC(=O)C1=CC(N)=C(OC)C=C1 MC40060 [0,2,0,0,0,0|0,0,0]=2 842 B13R1.3088 COC(=O)C1=CC(O)=C(OC)C=C1 CS11624 [0,2,0,0,0,0|0,0,0]=2 843 B13R1.3088 COC(=O)C1=CC(O)=C(OC)N=C1 MC430370 [0,2,0,0,0,0|1,0,0]=3 844 B13R1.3088 COC(=O)C1=CN=C(OC)C(Br)=C1 CS16557 [0,2,0,0,0,0|1,0,0]=3 845 B13R1.3088 COC(=O)C1=CN=C(OC)C(Cl)=C1 MC443202 [0,2,0,0,0,0|1,0,0]=3 846 B13R1.3088 COC(=O)C1=CN=C(OC)C(F)=C1 CS17219 [0,2,0,0,0,0|1,0,0]=3 847 B13R1.3088 COC(=O)C1=NC(N)=C(OC)C=C1 MC432302 [0,2,0,0,0,0|1,0,0]=3 848 B13R1.3088 COC(=O)C1=NC=C(OC)C(Cl)=C1 MC104264 [0,2,0,0,0,0|1,0,0]=3 849 B13R1.38 COC1=C(Br)C=C(C(C)(C)C)C=C1 MC41324 [0,2,0,0,0,0|1,0,1]=4 850 B13R1.38 COC1=C(F)C=C(S(=O)(=O)Cl)C=C1 MC40381 [0,2,0,0,0,0|2,0,0]=4 851 B13R1.38 COC1=C(F)C=C(S(C)(=O)=O)C=C1 MC31081 [0,2,0,0,0,0|1,0,0]=3 852 B13R1.96 COC1=CC(Br)=C(S(=O)(=O)Cl)C=C1 MC106907 [0,2,0,0,0,0|2,0,0]=4 853 B13R1.140 CCOC1=CC=C(S(=O)(=O)Cl)C=C1 MC433926 [0,2,0,0,0,0|2,0,0]=4 854 B13R1.338 CC(=O)C1=CC=C(C(C)(C)C)N=C1 MC432307 [0,2,0,0,0,0|2,0,0]=4 855 B13R1.338 CC(=O)C1=CC=C(C(F)(F)F)C=C1 CS15700 [0,2,0,0,0,0|2,0,0]=4 856 B13R1.338 CC(=O)C1=CC=C(S(C)(=O)=O)C=C1 CS21115 [0,2,0,0,0,0|0,1,0]=3 857 B13R1.338 CC(C)(C)C1=CC=C(C(=O)O)C=C1 CS16421 [0,2,0,0,0,0|2,0,0]=4 858 B13R1.338 CC(F)(F)C1=CC=C(C(=O)O)C=C1 MC102233 [0,2,0,0,0,0|2,0,0]=4 859 B13R1.338 CS(=O)(=O)C1=CC=C(C(=O)O)C=C1 CS20962 [0,2,0,0,0,0|1,1,0]=4 860 B13R1.120 CC(=O)C1=C(Br)C=C([N+](=O)[O-])C=C1 MC107322 [0,2,0,0,0,0|2,0,0]=4 861 B13R1.120 CC(=O)C1=C(C)C=C([N+](=O)[O-])C=C1 MC41266 [0,2,0,0,0,0|2,0,0]=4 862 B13R1.120 CC(=O)C1=C(Cl)C=C([N+](=O)[O-])C=C1 CS20389 [0,2,0,0,0,0|2,0,0]=4 863 B13R1.120 CC(=O)C1=C(F)C=C(B(O)O)C=C1 MC441447 [0,2,0,0,0,0|2,0,0]=4 864 B13R1.120 CC(=O)C1=C(F)C=C([N+](=O)[O-])C=C1 MC41258 [0,2,0,0,0,0|2,0,0]=4 865 B13R1.120 CC(=O)C1=CC(Br)=C([N+](=O)[O-])C=C1 MC107323 [0,2,0,0,0,0|2,0,0]=4 866 B13R1.120 CC(=O)C1=CC(F)=C([N+](=O)[O-])C=C1 CS16728 [0,2,0,0,0,0|2,0,0]=4 867 B13R1.652 COC1=C(Br)C=C([N+](=O)[O-])C(F)=C1 MC33254 [0,2,0,0,0,0|2,0,0]=4 868 B13R1.652 COC1=C(N)C=C([N+](=O)[O-])C(F)=C1 CS17587 [0,2,0,0,0,0|2,0,0]=4 869 B13R1.652 COC1=CC(Br)=C([N+](=O)[O-])C=C1F MC30234 [0,2,0,0,0,0|2,0,0]=4 870 B13R1.652 COC1=CC(Cl)=C(C(=O)O)C=C1Cl CS17728 [0,2,0,0,0,0|1,0,0]=3 871 B13R1.652 COC1=CC(F)=C(C(=O)O)C=C1F MC429640 [0,2,0,0,0,0|1,0,0]=3 872 B13R1.652 COC1=CC(N)=C(C(=O)O)C=C1Br MC30208 [0,2,0,0,0,0|1,0,0]=3 873 B13R1.652 COC1=CC(N)=C(C(=O)O)C=C1F MC104813 [0,2,0,0,0,0|1,0,0]=3 874 B13R1.3091 COC1=C(CCl)C=C(C(C)=O)C=C1 MC41241 [0,2,0,0,0,0|0,0,0]=2 875 B13R1.3091 COC1=C(OC)C=C(C(=O)Cl)C=C1 MC40469 [0,2,0,0,0,0|1,0,0]=3 876 B13R1.3091 COC1=C(OC)C=C(C(=O)O)C=C1 MC40279 [0,2,0,0,0,0|1,0,0]=3 877 B13R1.3096 COC1=C(C)C(C)=C([N+](=O)[O-])C=C1 MC30140 [0,2,0,0,0,0|2,0,0]=4 878 B13R1.3096 COC1=C(C)C(N)=C(C(C)=O)C=C1 MC10451 [0,2,0,0,0,0|0,0,0]=2 879 B13R1.3096 COC1=C(F)C(F)=C(C(=O)O)C=C1 MC433658 [0,2,0,0,0,0|1,0,0]=3 880 B13R1.3096 COC1=C(F)C(F)=C([N+](=O)[O-])C=C1 MC433143 [0,2,0,0,0,0|2,0,0]=4 881 B13R1.3380 COC1=C(C)C=C(C(=O)O)C=C1C CS10021 [0,2,0,0,0,0|1,0,0]=3 882 B13R1.3380 COC1=C(F)C=C(C(=O)O)C=C1F CS21989 [0,2,0,0,0,0|1,0,0]=3 883 B13R1.3380 COC1=C(F)C=C([N+](=O)[O-])C=C1F MC41337 [0,2,0,0,0,0|2,0,0]=4 884 B13R1.74 CC(=O)C1=CC=C(OCCF)C=C1 MC112249 [0,2,0,0,0,0|0,0,0]=2 885 B13R1.74 CCCCC1=CC=C(C(=O)O)C=C1 CS10078 [0,2,0,0,0,0|2,0,0]=4 886 B13R1.74 CCCOC1=CC=C(C(=O)O)C=C1 CS10022 [0,2,0,0,0,0|1,0,0]=3 887 B13R1.74 CNCCC1=CC=C(C(=O)O)C=C1 MC102778 [0,2,0,0,0,0|2,0,0]=4 888 B13R1.74 O=[N+]([O-])C1=CC=C(OCCCl)C=C1 MC33109 [0,2,0,0,0,0|2,0,0]=4 889 B13R1.385 CCOC1=CC(N)=C([N+](=O)[O-])C=C1 MC40910 [0,2,0,0,0,0|2,0,0]=4 890 B13R1.99 COC1=CC(C#N)=C([N+](=O)[O-])C=C1 CS12765 [0,2,0,0,0,0|2,0,0]=4 891 B13R1.99 COC1=CC(OC)=C(C(=O)O)C=C1 CS21119 [0,2,0,0,0,0|1,0,0]=3 892 B13R1.99 COC1=CC(OC)=C([N+](=O)[O-])C=C1 CS21111 [0,2,0,0,0,0|2,0,0]=4 893 B13R1.428 COC1=CC(Cl)=C([N+](=O)[O-])C(Cl)=C1 MC20960 [0,2,0,0,0,0|2,0,0]=4 894 B13R1.428 COC1=CC(Cl)=C([N+](=O)[O-])C(Cl)=C1 MC433378 [0,2,0,0,0,0|2,0,0]=4 895 B13R1.428 COC1=CC(F)=C([N+](=O)[O-])C(F)=C1 MC111220 [0,2,0,0,0,0|2,0,0]=4 896 B11R1.159 CC(=O)C1=C(C)C(C)=CC=C1 MC33077 [0,0,1,1,0,0|1,0,1]=4 897 B11R1.159 CC(=O)C1=C(O)C(C)=CC=C1 CS13325 [0,0,1,1,0,0|2,0,0]=4 898 B11R2.34 CC1=CC=C(C2CO2)C=C1 MC112355 [1,0,0,1,0,0|0,0,2]=4 899 B13R2.2121 CNC1=CC2=C(C=C1)OC(C)=N2 MC100356 [0,0,0,1,0,1|2,0,0]=4 900 B13R2.2121 COC1=CC2=C(C=C1)N=C(Br)S2 CS14096 [0,0,0,1,0,1|1,1,0]=4 901 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)N2 MC425727 [0,0,0,1,0,1|1,0,0]=3 902 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)O2 CS10723 [0,0,0,1,0,1|0,0,1]=3 903 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)S2 CS10722 [0,0,0,1,0,1|0,1,0]=3 904 B13R2.2121 COC1=CC2=C(C=C1)N=C(Cl)S2 CS20737 [0,0,0,1,0,1|1,1,0]=4 905 B13R2.2121 COC1=CC2=C(C=C1)N=C(N)S2 CS20926 [0,0,0,1,0,1|1,1,0]=4 906 B13R2.2121 COC1=CC2=C(C=C1)N=C(S)N2 MC426122 [0,0,0,1,0,1|1,1,0]=4 907 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)S2 MC31142 [0,0,0,1,0,1|1,0,0]=3 908 B13R2.2121 COC1=CC2=C(C=C1)NC(=S)S2 MC31086 [0,0,0,1,0,1|1,1,0]=4 909 B13R2.2121 COC1=CC2=C(C=C1)SC(=O)N2 CS16845 [0,0,0,1,0,1|1,0,0]=3 910 B13R2.2121 COC1=CC2=C(C=C1)SC(Cl)=N2 CS12902 [0,0,0,1,0,1|2,0,0]=4 911 B13R2.2121 COC1=CC=C2CC(=O)NC2=C1 CS15903 [0,0,0,1,0,1|1,0,0]=3 912 B13R2.2121 COC1=CC=C2NC(C)=CC2=C1 MC10333 [0,0,0,1,0,1|1,0,0]=3 913 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 MC20845 [0,1,0,1,0,0|0,0,0]=2 914 B13R2.2130 COC1=CC2=C(C=C1)C(C)=CO2 MC446648 [0,1,0,1,0,0|0,0,1]=3 915 B13R2.2130 COC1=CC2=C(C=C1)N(C)C=N2 MC33417 [0,1,0,1,0,0|2,0,0]=4 916 B13R2.2130 COC1=CC=C2C(=C1)CCC2N CS17884 [0,1,0,1,0,0|1,0,1]=4 917 B13R2.2130 COC1=CC=C2C(=C1)NN=C2Br MC106942 [0,1,0,1,0,0|2,0,0]=4 918 B13R2.2130 COC1=CC=C2C(=C1)NN=C2C CS13313 [0,1,0,1,0,0|1,0,0]=3 919 B13R2.2130 COC1=CC=C2C(=C1)NN=C2I CS12160 [0,1,0,1,0,0|2,0,0]=4 920 B13R2.2130 COC1=CC=C2C(=O)CCC2=C1 CS10007 [0,1,0,1,0,0|0,0,0]=2 921 B13R2.2130 NCC1=CC=C2C(=O)NCC2=C1 MC102999 [0,1,0,1,0,0|2,0,0]=4 922 B13R2.2130 NCC1=CC=C2C(=O)NCC2=C1 MC107137 [0,1,0,1,0,0|2,0,0]=4 923 B13R2.430 CC(=O)C1=CC2=C(C=C1)CCO2 MC442785 [0,1,0,1,0,0|1,0,0]=3 924 B13R2.430 CC(=O)C1=CC2=C(C=C1)N=CS2 MC427236 [0,1,0,1,0,0|1,0,1]=4 925 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 CS11018 [0,1,0,1,0,0|0,0,0]=2 926 B13R2.430 CC(=O)C1=CC2=C(C=C1)SC=N2 CS16602 [0,1,0,1,0,0|0,1,1]=4 927 B13R2.430 CC(=O)C1=CC=C2C=CNC2=C1 CS16097 [0,1,0,1,0,0|1,0,1]=4 928 B13R2.430 CC(=O)C1=CC=C2C=NNC2=C1 MC107017 [0,1,0,1,0,0|2,0,0]=4 929 B13R2.430 CC(=O)C1=CC=C2NC=CC2=C1 CS19941 [0,1,0,1,0,0|1,0,1]=4 930 B13R2.430 CC(=O)C1=CC=C2NN=CC2=C1 MC431159 [0,1,0,1,0,0|1,0,1]=4 931 B13R2.430 CC(N)C1=CC2=C(C=C1)OCO2 MC106693 [0,1,0,1,0,0|1,0,1]=4 932 B13R2.430 CC(N)C1=CC2=C(C=C1)OCO2 MC106694 [0,1,0,1,0,0|1,0,1]=4 933 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCO2 CS21041 [0,1,0,1,0,0|2,0,0]=4 934 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 CS21477 [0,1,0,1,0,0|1,0,1]=4 935 B13R2.428 O=C(O)C1=CC=C(C2CC2)C=C1 MC106586 [0,1,0,1,0,0|2,0,0]=4 936 B9R1.21 COC1=NC=C(C=O)S1 MC443812 [1,0,0,0,1,0|2,0,0]=4 937 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS20414 [1,0,0,0,1,0|2,0,0]=4 938 B9R1.35 CC(=O)C1=CC(C)=NO1 MC427423 [1,0,0,0,1,0|2,0,0]=4 939 B9R1.35 CC(=O)C1=CC(C)=NS1 MC106270 [1,0,0,0,1,0|2,0,0]=4 940 B9R1.35 CC(=O)C1=CC(Cl)=CS1 CS21207 [1,0,0,0,1,0|2,0,0]=4 941 B9R1.35 CC(=O)C1=CC=C(Br)O1 CS20429 [1,0,0,0,1,0|2,0,0]=4 942 B9R1.35 CC(=O)C1=CC=C(C)S1 CS20396 [1,0,0,0,1,0|1,0,0]=3 943 B9R1.35 CC(=O)C1=CC=C(Cl)S1 CS21209 [1,0,0,0,1,0|2,0,0]=4 944 B9R1.35 CC(=O)C1=CSC(Br)=C1 CS12338 [1,0,0,0,1,0|2,0,0]=4 945 B9R1.35 CC(=O)C1=NC(C)=CO1 CS16603 [1,0,0,0,1,0|2,0,0]=4 946 B9R1.35 CC(=O)C1=NN(C)C=C1 MC104385 [1,0,0,0,1,0|2,0,0]=4 947 B9R1.35 CC(=O)C1=NOC(C)=C1 CS20434 [1,0,0,0,1,0|2,0,0]=4 948 B9R1.35 CC1=CC(C(=O)O)=CN1 CS15830 [1,0,0,0,1,0|2,0,0]=4 949 B9R1.35 CC1=CC=C(C(=O)O)O1 CS19440 [1,0,0,0,1,0|2,0,0]=4 950 B9R1.35 CC1=CC=C(C(=O)O)S1 CS23027 [1,0,0,0,1,0|2,0,0]=4 951 B9R1.35 CC1=COC(C(=O)O)=C1 MC104342 [1,0,0,0,1,0|2,0,0]=4 952 B9R1.35 CN1C=CC(C(=O)O)=C1 MC441014 [1,0,0,0,1,0|2,0,0]=4 953 B9R1.35 Cc1coc(C(=O)O)c1 MC104343 [1,0,0,0,1,0|2,0,0]=4 954 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 MC10315 [1,0,0,0,0,1|1,0,0]=3 955 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 CS22844 [1,0,0,0,0,1|1,0,0]=3 956 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 MC428013 [1,0,0,0,0,1|0,0,0]=2 957 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 MC33116 [1,0,0,0,0,1|1,0,0]=3 958 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 CS19283 [1,0,0,0,0,1|2,0,0]=4 959 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 MC40002 [1,0,0,0,0,1|1,0,0]=3 960 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 MC20138 [1,0,0,0,0,1|1,0,0]=3 961 B11R1.20 CC(=O)OC1=CC=C(I)C=C1 MC103137 [1,0,0,0,0,1|1,0,0]=3 962 B11R1.20 CC(C)OC1=CC=C(O)C=C1 MC443483 [1,0,0,0,0,1|1,0,1]=4 963 B11R1.20 CC(C)SC1=CC=C(O)C=C1 MC112512 [1,0,0,0,0,1|1,0,1]=4 964 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 CS21084 [1,0,0,0,0,1|1,0,0]=3 965 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 MC429948 [1,0,0,0,0,1|2,0,0]=4 966 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 CS14692 [1,0,0,0,0,1|2,0,0]=4 967 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 CS21002 [1,0,0,0,0,1|2,0,0]=4 968 B11R1.20 O=C(Cl)Oc1ccc(Br)cc1 MC434070 [1,0,0,0,0,1|2,0,0]=4 969 B11R1.20 O=C(Cl)Oc1ccc(F)cc1 MC434069 [1,0,0,0,0,1|2,0,0]=4 970 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 CS20812 [1,0,0,0,0,1|2,0,0]=4 971 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 MC40158 [1,0,0,0,0,1|2,0,0]=4 972 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 CS10817 [1,0,0,0,0,1|2,0,0]=4 973 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 CS20852 [1,0,0,0,0,1|2,0,0]=4 974 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 MC40180 [1,0,0,0,0,1|1,0,0]=3 975 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 MC40184 [1,0,0,0,0,1|1,1,0]=4 976 B11R1.266 CC(=O)C1=CC(C#N)=CN=C1 MC430333 [0,0,0,0,1,1|2,0,0]=4 977 B11R1.266 CC(=O)C1=CC=CC(C#N)=C1 MC33169 [0,0,0,0,1,1|2,0,0]=4 978 B11R1.266 CC(=O)c1cccc(CCl)c1 MC30280 [0,0,0,0,1,1|2,0,0]=4 979 B11R1.266 CNC1=CC(C(=O)O)=CN=C1 MC33524 [0,0,0,0,1,1|2,0,0]=4 980 B11R1.266 COC1=CC(C(=O)O)=CN=C1 CS20059 [0,0,0,0,1,1|1,0,0]=3 981 B11R1.266 COC1=CC(C(=O)O)=CN=N1 CS17802 [0,0,0,0,1,1|2,0,0]=4 982 B11R1.266 COC1=CC(C(=O)O)=NC=C1 CS20334 [0,0,0,0,1,1|1,0,0]=3 983 B11R1.266 COC1=CC(C(=O)O)=NC=N1 MC441129 [0,0,0,0,1,1|2,0,0]=4 984 B11R1.266 COC1=CC(C(C)=O)=NC=C1 MC442668 [0,0,0,0,1,1|0,0,0]=2 985 B11R1.266 COC1=CC(C(C)N)=NC=C1 MC112203 [0,0,0,0,1,1|1,0,1]=4 986 B11R1.266 COC1=CC(N(C)C)=CC=C1 MC445041 [0,0,0,0,1,1|2,0,0]=4 987 B11R1.266 COC1=CC=CC(C(=N)N)=C1 CS18198 [0,0,0,0,1,1|2,0,0]=4 988 B11R1.266 COC1=CC=CC(C(=O)Cl)=C1 MC40493 [0,0,0,0,1,1|1,0,0]=3 989 B11R1.266 COC1=CC=CC(C(=O)O)=C1 MC40298 [0,0,0,0,1,1|1,0,0]=3 990 B11R1.266 COC1=CC=CC(C(=O)O)=N1 CS18200 [0,0,0,0,1,1|2,0,0]=4 991 B11R1.266 COC1=CN=CC(C(=O)O)=N1 CS14316 [0,0,0,0,1,1|2,0,0]=4 992 B11R1.266 COC1=CN=NC(C(=O)O)=C1 MC116095 [0,0,0,0,1,1|2,0,0]=4 993 B11R1.266 COC1=NC=CC(C(=O)O)=C1 CS10487 [0,0,0,0,1,1|1,0,0]=3 994 B11R1.266 COC1=NC=CC(C(=O)O)=N1 MC441255 [0,0,0,0,1,1|2,0,0]=4 995 B11R1.266 CSC1=NC=CC(C(C)=O)=N1 CS14547 [0,0,0,0,1,1|1,1,0]=4 996 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 MC21104 [0,0,0,0,0,2|1,0,0]=3