0 B12R1.56 CC(=O)C1=CC(C#N)=C(Br)C=C1 A50919 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.56 CC(=O)C1=CC(C#N)=C(F)C=C1 A50949 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.56 CC(=O)C1=CC(C#N)=C(N)C=C1 A61403 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.56 CCC1=C(N)C=CC(C(=O)O)=C1 A50043 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 B48643 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=N1 B37401 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.56 COC1=C(Br)C=CC([N+](=O)[O-])=C1 B45404 [0,0,0,0,0,0|2,0,1]=3 7 B12R1.56 COC1=C(C)C=CC(B(O)O)=C1 M46943 [0,0,0,0,0,0|2,0,1]=3 8 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 M39538 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.56 COC1=C(C)C=CC([N+](=O)[O-])=C1 M69040 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.56 COC1=C(Cl)C=CC(B(O)O)=C1 C46262 [0,0,0,0,0,0|2,0,1]=3 11 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 C48658 [0,0,0,0,0,0|1,0,0]=1 12 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=N1 C45435 [0,0,0,0,0,0|2,0,0]=2 13 B12R1.56 COC1=C(Cl)C=CC([N+](=O)[O-])=C1 C45437 [0,0,0,0,0,0|2,0,1]=3 14 B12R1.56 COC1=C(F)C=CC(B(O)O)=C1 F46263 [0,0,0,0,0,0|2,0,1]=3 15 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 F6994 [0,0,0,0,0,0|1,0,0]=1 16 B12R1.56 COC1=C(F)C=CC([C@@H](C)N)=C1 F52153 [0,0,0,0,0,0|3,0,1]=4 17 B12R1.56 COC1=C(F)C=CC([C@H](C)N)=C1 F52156 [0,0,0,0,0,0|3,0,1]=4 18 B12R1.56 COC1=C(F)C=CC([N+](=O)[O-])=C1 F45449 [0,0,0,0,0,0|2,0,1]=3 19 B12R1.56 COC1=C(I)C=CC(C(C)C)=C1 K53021 [0,0,0,0,0,0|3,0,1]=4 20 B12R1.56 COC1=C(I)C=CC([N+](=O)[O-])=C1 K45455 [0,0,0,0,0,0|2,0,1]=3 21 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 H46448 [0,0,0,0,0,0|1,0,1]=2 22 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 M45855 [0,0,0,0,0,0|1,0,1]=2 23 B12R1.56 COC1=CC([N+](=O)[O-])=CN=C1Cl C25245 [0,0,0,0,0,0|3,0,1]=4 24 B12R1.56 N#CC1=C(Br)C=CC(C(=O)O)=C1 B47387 [0,0,0,0,0,0|3,0,0]=3 25 B12R1.56 N#CC1=C(Cl)C=CC(C(=O)O)=C1 C47395 [0,0,0,0,0,0|3,0,0]=3 26 B12R1.56 N#CC1=C(F)C=CC(C(=O)O)=C1 C47401 [0,0,0,0,0,0|3,0,0]=3 27 B12R1.56 N#CC1=C(N)C=CC(C(=O)O)=C1 A47876 [0,0,0,0,0,0|3,0,0]=3 28 B12R1.56 N#CC1=C(O)C=CC(B(O)O)=C1 C63176 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.56 N#CC1=C(O)C=CC(C(=O)O)=C1 C47725 [0,0,0,0,0,0|2,0,0]=2 30 B12R1.56 O=C(O)C1=CC(CO)=C(Br)C=C1 B48647 [0,0,0,0,0,0|3,0,0]=3 31 B12R1.56 O=CC1=C(F)C=CC(C(=O)O)=C1 F47806 [0,0,0,0,0,0|3,0,0]=3 32 B12R1.56 O=CC1=C(O)C=CC(C(=O)O)=C1 F68325 [0,0,0,0,0,0|2,0,0]=2 33 B12R1.56 O=CC1=C(O)C=CC([N+](=O)[O-])=C1 N66220 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 B52032 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 B39475 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.21 CC(=O)C1=CC(Br)=C(I)C=C1 B48269 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 A49026 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.21 CC(=O)C1=CC(Br)=C(O)C=C1 B48581 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=C1 B52034 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=N1 B63831 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 C52042 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 F28728 [1,0,0,0,0,0|2,0,0]=3 43 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 B48245 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 C61119 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 D39476 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 C48274 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 B48250 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.21 CC(=O)C1=CC(F)=C(Cl)C=C1 C69014 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 D39477 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.21 CC(=O)C1=CC(F)=C(N)C=C1 A49052 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 F48621 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 A50026 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.21 CC(=O)C1=CC(N)=C(Cl)C=C1 A49040 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 D68113 [1,0,0,0,0,0|1,0,0]=2 55 B11R1.21 CC(=O)C1=CN=C(Cl)C(C)=C1 C49042 [1,0,0,0,0,0|3,0,0]=4 56 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 B48570 [1,0,0,0,0,0|2,0,0]=3 57 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=N1 B64856 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.21 CC1=C(Br)C=C(C(=O)O)N=C1 B32388 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.21 CC1=C(Br)C=CC(B(O)O)=C1 B46237 [1,0,0,0,0,0|2,0,1]=4 60 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 B38437 [1,0,0,0,0,0|1,0,0]=2 61 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=N1 B37042 [1,0,0,0,0,0|2,0,0]=3 62 B11R1.21 CC1=C(Br)C=CC([N+](=O)[O-])=C1 B39379 [1,0,0,0,0,0|2,0,1]=4 63 B11R1.21 CC1=C(Br)C=NC(C(=O)O)=C1 B45347 [1,0,0,0,0,0|2,0,0]=3 64 B11R1.21 CC1=C(C)C=C(B(O)O)C=C1 D2960 [1,0,0,0,0,0|2,0,1]=4 65 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 D69089 [1,0,0,0,0,0|1,0,0]=2 66 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 D49279 [1,0,0,0,0,0|2,0,0]=3 67 B11R1.21 CC1=C(C)N=C(C(=O)O)C=N1 D46015 [1,0,0,0,0,0|3,0,0]=4 68 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 C48593 [1,0,0,0,0,0|2,0,0]=3 69 B11R1.21 CC1=C(Cl)C=C(C(=O)O)N=C1 C26055 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.21 CC1=C(Cl)C=CC(B(O)O)=C1 C2229 [1,0,0,0,0,0|2,0,1]=4 71 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 C39491 [1,0,0,0,0,0|1,0,0]=2 72 B11R1.21 CC1=C(Cl)C=CC([N+](=O)[O-])=C1 C18675 [1,0,0,0,0,0|2,0,1]=4 73 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 F48613 [1,0,0,0,0,0|2,0,0]=3 74 B11R1.21 CC1=C(F)C=C(C(=O)O)C=N1 F61560 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.21 CC1=C(F)C=C(C(=O)O)N=C1 F62992 [1,0,0,0,0,0|3,0,0]=4 76 B11R1.21 CC1=C(F)C=CC(B(O)O)=C1 F3320 [1,0,0,0,0,0|2,0,1]=4 77 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 F39495 [1,0,0,0,0,0|1,0,0]=2 78 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 F37719 [1,0,0,0,0,0|2,0,0]=3 79 B11R1.21 CC1=C(F)C=CC([N+](=O)[O-])=C1 N69301 [1,0,0,0,0,0|2,0,1]=4 80 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 K25553 [1,0,0,0,0,0|2,0,0]=3 81 B11R1.21 CC1=C(I)C=CC(C(=O)O)=C1 K63515 [1,0,0,0,0,0|1,0,0]=2 82 B11R1.21 CC1=C(I)C=CC([N+](=O)[O-])=C1 K45398 [1,0,0,0,0,0|2,0,1]=4 83 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 A39517 [1,0,0,0,0,0|1,0,0]=2 84 B11R1.21 CC1=C(O)C=C(B(O)O)C=C1 H62526 [1,0,0,0,0,0|2,0,1]=4 85 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 H49095 [1,0,0,0,0,0|1,0,0]=2 86 B11R1.21 CC1=C(O)C=C([N+](=O)[O-])C=C1 M39397 [1,0,0,0,0,0|2,0,1]=4 87 B11R1.21 CC1=C(O)C=CC(B(O)O)=C1 H46446 [1,0,0,0,0,0|1,0,1]=3 88 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 H49097 [1,0,0,0,0,0|0,0,0]=1 89 B11R1.21 CC1=C(O)C=CC([N+](=O)[O-])=C1 M45830 [1,0,0,0,0,0|1,0,1]=3 90 B11R1.21 CC1=CC(C(=O)O)=CN=C1Cl C45358 [1,0,0,0,0,0|2,0,0]=3 91 B11R1.21 CC1=CC(C(=O)O)=CNC1=O M45851 [1,0,0,0,0,0|1,0,1]=3 92 B11R1.21 CC1=CC=C(C(=O)O)N=C1Br B37453 [1,0,0,0,0,0|3,0,0]=4 93 B11R1.21 CC1=CC=C(C(=O)O)N=C1Cl C32429 [1,0,0,0,0,0|3,0,0]=4 94 B11R1.21 CC1=NC(C(=O)O)=CN=C1Cl C42410 [1,0,0,0,0,0|3,0,0]=4 95 B11R1.21 CC1=NC=C(C(=O)O)C=C1N A8134 [1,0,0,0,0,0|3,0,0]=4 96 B11R1.21 CN1C=C(C(=O)O)C=CC1=O D7475 [1,0,0,0,0,0|1,0,1]=3 97 B11R1.21 CN1C=CC(C(=O)O)=CC1=O M0305 [1,0,0,0,0,0|2,0,1]=4 98 B11R1.21 CN1N=C(C(=O)O)C=CC1=O M12596 [1,0,0,0,0,0|2,0,1]=4 99 B11R1.21 NC(=O)C1=CC(Br)=C(F)C=C1 B45032 [1,0,0,0,0,0|3,0,0]=4 100 B11R1.21 NC(=O)C1=CC(F)=C(F)C=C1 D62335 [1,0,0,0,0,0|3,0,0]=4 101 B11R1.21 NC(=O)C1=CC(O)=C(N)C=C1 A45997 [1,0,0,0,0,0|2,0,0]=3 102 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 A45330 [1,0,0,0,0,0|2,0,0]=3 103 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=N1 A21931 [1,0,0,0,0,0|3,0,0]=4 104 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 A45328 [1,0,0,0,0,0|2,0,0]=3 105 B11R1.21 NC1=C(Br)C=NC(C(=O)O)=C1 A12918 [1,0,0,0,0,0|3,0,0]=4 106 B11R1.21 NC1=C(Cl)C=C(C(=O)O)C=C1 A69418 [1,0,0,0,0,0|2,0,0]=3 107 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 A69510 [1,0,0,0,0,0|2,0,0]=3 108 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=N1 A42403 [1,0,0,0,0,0|3,0,0]=4 109 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 A45379 [1,0,0,0,0,0|2,0,0]=3 110 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 A45377 [1,0,0,0,0,0|2,0,0]=3 111 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 A45396 [1,0,0,0,0,0|2,0,0]=3 112 B11R1.21 NC1=C(I)C=CC(C(=O)O)=C1 A45395 [1,0,0,0,0,0|2,0,0]=3 113 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 A67467 [1,0,0,0,0,0|1,0,0]=2 114 B11R1.21 NC1=CC(C(=O)O)=CN=C1N D43100 [1,0,0,0,0,0|3,0,0]=4 115 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 H38960 [1,0,0,0,0,0|1,0,1]=3 116 B11R1.21 O=C(O)C1=CC(Br)=C(Br)C=C1 D36700 [1,0,0,0,0,0|2,0,0]=3 117 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)C=C1 B44568 [1,0,0,0,0,0|2,0,0]=3 118 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)N=C1 B3744 [1,0,0,0,0,0|3,0,0]=4 119 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 B39336 [1,0,0,0,0,0|2,0,0]=3 120 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 B44584 [1,0,0,0,0,0|2,0,0]=3 121 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 B3783 [1,0,0,0,0,0|2,0,0]=3 122 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 B44571 [1,0,0,0,0,0|2,0,0]=3 123 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=N1 B32007 [1,0,0,0,0,0|3,0,0]=4 124 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=N1 D41928 [1,0,0,0,0,0|3,0,0]=4 125 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 C44591 [1,0,0,0,0,0|2,0,0]=3 126 B11R1.21 O=C(O)C1=CC(Cl)=C(I)C=C1 C38946 [1,0,0,0,0,0|2,0,0]=3 127 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 C62141 [1,0,0,0,0,0|1,0,0]=2 128 B11R1.21 O=C(O)C1=CC(F)=C(Br)C=C1 B44576 [1,0,0,0,0,0|2,0,0]=3 129 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 C37845 [1,0,0,0,0,0|2,0,0]=3 130 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 D68133 [1,0,0,0,0,0|2,0,0]=3 131 B11R1.21 O=C(O)C1=CC(F)=C(I)C=C1 F36867 [1,0,0,0,0,0|2,0,0]=3 132 B11R1.21 O=C(O)C1=CC(F)=C(O)C=C1 F68105 [1,0,0,0,0,0|1,0,0]=2 133 B11R1.21 O=C(O)C1=CC(I)=C(Br)C=C1 B67829 [1,0,0,0,0,0|2,0,0]=3 134 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 C44602 [1,0,0,0,0,0|2,0,0]=3 135 B11R1.21 O=C(O)C1=CC(I)=C(Cl)N=C1 C41944 [1,0,0,0,0,0|3,0,0]=4 136 B11R1.21 O=C(O)C1=CC(I)=C(F)C=C1 F44617 [1,0,0,0,0,0|2,0,0]=3 137 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 B45113 [1,0,0,0,0,0|1,0,0]=2 138 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 C38513 [1,0,0,0,0,0|1,0,0]=2 139 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 F24023 [1,0,0,0,0,0|1,0,0]=2 140 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 H45126 [1,0,0,0,0,0|1,0,0]=2 141 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=N1 D41898 [1,0,0,0,0,0|3,0,0]=4 142 B11R1.21 O=C(O)C1=CC=C(Cl)C(=O)N1 C42277 [1,0,0,0,0,0|2,0,1]=4 143 B11R1.21 O=C(O)C1=CC=C(Cl)C(Br)=N1 B41907 [1,0,0,0,0,0|3,0,0]=4 144 B11R1.21 O=C(O)C1=CC=C(Cl)C(Cl)=N1 D32272 [1,0,0,0,0,0|3,0,0]=4 145 B11R1.21 O=C(O)C1=CC=C(F)C(Br)=N1 B16286 [1,0,0,0,0,0|3,0,0]=4 146 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=N1 C36953 [1,0,0,0,0,0|3,0,0]=4 147 B11R1.21 O=C(O)C1=CN=C(Br)C(Br)=C1 D41897 [1,0,0,0,0,0|3,0,0]=4 148 B11R1.21 O=C(O)C1=CN=C(Br)C(F)=C1 B15602 [1,0,0,0,0,0|3,0,0]=4 149 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 D15565 [1,0,0,0,0,0|3,0,0]=4 150 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 D11881 [1,0,0,0,0,0|3,0,0]=4 151 B11R1.21 O=C(O)C1=NC(O)=C(Br)C=C1 B37386 [1,0,0,0,0,0|2,0,0]=3 152 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(O)C=C1 B42260 [1,0,0,0,0,0|2,0,1]=4 153 B11R1.21 O=[N+]([O-])C1=CC(F)=C(O)C=C1 F67644 [1,0,0,0,0,0|2,0,1]=4 154 B11R1.21 O=[N+]([O-])C1=CC(O)=C(Br)C=C1 B5176 [1,0,0,0,0,0|2,0,1]=4 155 B11R1.21 O=[N+]([O-])C1=CC(O)=C(Cl)C=C1 C42266 [1,0,0,0,0,0|2,0,1]=4 156 B11R1.21 O=[N+]([O-])C1=CC(O)=C(F)C=C1 F42279 [1,0,0,0,0,0|2,0,1]=4 157 B11R1.21 O=[N+]([O-])C1=CC(O)=C(I)C=C1 K62017 [1,0,0,0,0,0|2,0,1]=4 158 B11R1.21 O=[N+]([O-])C1=CC(O)=C(O)C=C1 N61905 [1,0,0,0,0,0|1,0,1]=3 159 B11R1.21 OB(O)C1=CC(Cl)=C(O)C=C1 C42947 [1,0,0,0,0,0|2,0,1]=4 160 B11R1.21 OB(O)C1=CC(F)=C(O)C=C1 F42953 [1,0,0,0,0,0|2,0,1]=4 161 B11R1.21 OB(O)C1=CC(O)=C(Cl)C=C1 C42949 [1,0,0,0,0,0|2,0,1]=4 162 B11R1.21 OB(O)C1=CC(O)=C(F)C=C1 F42955 [1,0,0,0,0,0|2,0,1]=4 163 B11R1.266 C#CC1=CC=CC(C(=O)O)=C1 E50962 [1,0,0,0,0,0|1,0,1]=3 164 B11R1.266 CC(=O)C1=CC(C#N)=CC=C1 A51159 [1,0,0,0,0,0|3,0,0]=4 165 B11R1.266 CCC1=CC=CC(B(O)O)=C1 E2596 [1,0,0,0,0,0|2,0,1]=4 166 B11R1.266 CCC1=CC=CC([N+](=O)[O-])=C1 E49272 [1,0,0,0,0,0|2,0,1]=4 167 B11R1.266 COC1=CC(B(O)O)=CC=C1 M4280 [1,0,0,0,0,0|1,0,1]=3 168 B11R1.266 COC1=CC(C(=N)N)=CC=C1 M49491 [1,0,0,0,0,0|2,0,0]=3 169 B11R1.266 COC1=CC(C(=N)N)=NC=C1 M37699 [1,0,0,0,0,0|3,0,0]=4 170 B11R1.266 COC1=CC(C(=O)O)=CN=C1 M45836 [1,0,0,0,0,0|1,0,0]=2 171 B11R1.266 COC1=CC(C(=O)O)=CN=N1 M19640 [1,0,0,0,0,0|2,0,0]=3 172 B11R1.266 COC1=CC(C(=O)O)=NC=C1 M3752 [1,0,0,0,0,0|1,0,0]=2 173 B11R1.266 COC1=CC(C(=O)O)=NC=N1 M23407 [1,0,0,0,0,0|2,0,0]=3 174 B11R1.266 COC1=CC(N(C)C)=CC=C1 M50347 [1,0,0,0,0,0|3,0,0]=4 175 B11R1.266 COC1=CC([C@@H](C)N)=CC=C1 M50354 [1,0,0,0,0,0|2,0,1]=4 176 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 M52175 [1,0,0,0,0,0|2,0,1]=4 177 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 M64083 [1,0,0,0,0,0|2,0,1]=4 178 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 M64469 [1,0,0,0,0,0|2,0,1]=4 179 B11R1.266 COC1=CC([C@H](C)O)=CC=C1 M50283 [1,0,0,0,0,0|1,0,1]=3 180 B11R1.266 COC1=CC=CC(C(=O)O)=N1 M45837 [1,0,0,0,0,0|1,0,0]=2 181 B11R1.266 COC1=CC=CC(C(C)=O)=C1 M27970 [1,0,0,0,0,0|1,0,0]=2 182 B11R1.266 COC1=CC=CC(C(C)=O)=N1 A49277 [1,0,0,0,0,0|2,0,0]=3 183 B11R1.266 COC1=CC=CC(C(N)=O)=N1 M39020 [1,0,0,0,0,0|2,0,0]=3 184 B11R1.266 COC1=CN=CC(B(O)O)=C1 M67381 [1,0,0,0,0,0|2,0,1]=4 185 B11R1.266 COC1=CN=CC(C(=O)O)=N1 M42788 [1,0,0,0,0,0|2,0,0]=3 186 B11R1.266 COC1=CN=CC(C(N)=O)=N1 M63359 [1,0,0,0,0,0|3,0,0]=4 187 B11R1.266 COC1=NC(B(O)O)=CC=C1 M61597 [1,0,0,0,0,0|2,0,1]=4 188 B11R1.266 COC1=NC=CC(B(O)O)=C1 M25272 [1,0,0,0,0,0|2,0,1]=4 189 B11R1.266 COC1=NC=CC(C(=O)O)=C1 M12734 [1,0,0,0,0,0|1,0,0]=2 190 B11R1.266 COC1=NC=CC(C(=O)O)=N1 M38982 [1,0,0,0,0,0|2,0,0]=3 191 B11R1.266 CSC1=CC(B(O)O)=CC=C1 M4640 [1,0,0,0,0,0|1,1,1]=4 192 B11R1.266 CSC1=CC(C(=O)O)=CC=C1 M49088 [1,0,0,0,0,0|0,1,0]=2 193 B11R1.266 CSC1=NC(C(=O)O)=CC=N1 M28646 [1,0,0,0,0,0|2,1,0]=4 194 B11R1.266 N#CC1=CC=CC(C(=O)Cl)=C1 C47437 [1,0,0,0,0,0|3,0,0]=4 195 B11R1.266 N#CC1=CC=CC(C(=O)O)=C1 C39460 [1,0,0,0,0,0|2,0,0]=3 196 B11R1.266 N#CC1=CC=CC(C(=O)O)=N1 C44350 [1,0,0,0,0,0|3,0,0]=4 197 B11R1.266 N#CC1=CC=CC(C(N)=O)=C1 C47866 [1,0,0,0,0,0|3,0,0]=4 198 B11R1.266 N#CC1=NC=CC(C(=O)O)=C1 C20592 [1,0,0,0,0,0|3,0,0]=4 199 B11R1.266 NC(=O)C1=CC(C=O)=CC=C1 F48454 [1,0,0,0,0,0|3,0,0]=4 200 B11R1.266 NC(=O)C1=CC=CC(CBr)=C1 B39073 [1,0,0,0,0,0|3,0,0]=4 201 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 A49646 [1,0,0,0,0,0|2,0,0]=3 202 B11R1.266 NCC1=CC=CC(C(N)=O)=C1 A46649 [1,0,0,0,0,0|3,0,0]=4 203 B11R1.266 NNC1=NC=CC(C(=O)O)=C1 H12517 [1,0,0,0,0,0|3,0,0]=4 204 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 H62311 [1,0,0,0,0,0|2,0,0]=3 205 B11R1.266 O=C(O)C1=CC(CO)=NC=C1 H63529 [1,0,0,0,0,0|3,0,0]=4 206 B11R1.266 O=C(O)C1=CC=CC(CBr)=C1 B38629 [1,0,0,0,0,0|2,0,0]=3 207 B11R1.266 O=C(O)C1=CC=CC(CCl)=C1 C48590 [1,0,0,0,0,0|2,0,0]=3 208 B11R1.266 O=C(O)C1=NC(CO)=CC=C1 H45841 [1,0,0,0,0,0|3,0,0]=4 209 B11R1.266 O=CC1=CC=CC(C(=O)O)=C1 F27989 [1,0,0,0,0,0|2,0,0]=3 210 B11R1.266 O=CC1=CC=CC(C(=O)O)=N1 F45004 [1,0,0,0,0,0|3,0,0]=4 211 B11R1.280 COC1=C(Br)C=CC(C#N)=C1 B48071 [1,0,0,0,0,0|2,0,1]=4 212 B11R1.280 COC1=C(Br)C=CC(C=O)=C1 B38611 [1,0,0,0,0,0|1,0,0]=2 213 B11R1.280 COC1=C(Br)C=CC(CO)=C1 B49380 [1,0,0,0,0,0|1,0,1]=3 214 B11R1.280 COC1=C(C)C=CC(C#N)=C1 M51762 [1,0,0,0,0,0|2,0,1]=4 215 B11R1.280 COC1=C(C)C=CC(C=O)=C1 M49889 [1,0,0,0,0,0|1,0,0]=2 216 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 C48599 [1,0,0,0,0,0|1,0,0]=2 217 B11R1.280 COC1=C(Cl)C=CC(CBr)=C1 B49133 [1,0,0,0,0,0|2,0,1]=4 218 B11R1.280 COC1=C(Cl)C=CC(CO)=C1 C49387 [1,0,0,0,0,0|1,0,1]=3 219 B11R1.280 COC1=C(F)C=CC(C#N)=C1 F48103 [1,0,0,0,0,0|2,0,1]=4 220 B11R1.280 COC1=C(F)C=CC(C=O)=C1 F18436 [1,0,0,0,0,0|1,0,0]=2 221 B11R1.280 COC1=C(F)C=CC(CBr)=C1 B49142 [1,0,0,0,0,0|2,0,1]=4 222 B11R1.280 COC1=C(N)C=CC(C#N)=C1 A48802 [1,0,0,0,0,0|2,0,1]=4 223 B11R1.280 COC1=C(N)C=CC(CO)=C1 A46925 [1,0,0,0,0,0|1,0,1]=3 224 B11R1.280 COC1=C(O)C=CC(C#N)=C1 H61784 [1,0,0,0,0,0|1,0,1]=3 225 B11R1.280 COC1=C(O)C=CC(CN)=C1 A68828 [1,0,0,0,0,0|1,0,1]=3 226 B11R1.280 COC1=CC(OC)=C(Br)C=C1 D3157 [1,0,0,0,0,0|3,0,0]=4 227 B11R1.280 COC1=CC(OC)=C(O)C=C1 D46840 [1,0,0,0,0,0|2,0,0]=3 228 B11R1.280 COC1=CC(OC)=C([Mg+])C=C1 D31787 [1,0,0,0,0,0|3,0,0]=4 229 B11R1.280 N#CC1=C(Br)C=CC(C=O)=C1 B37288 [1,0,0,0,0,0|3,0,0]=4 230 B11R1.280 N#CC1=C(Cl)C=CC(C=O)=C1 C37093 [1,0,0,0,0,0|3,0,0]=4 231 B11R1.280 N#CC1=C(F)C=CC(C=O)=C1 F47447 [1,0,0,0,0,0|3,0,0]=4 232 B11R1.280 N#CC1=C(O)C=CC(C=O)=C1 F47715 [1,0,0,0,0,0|2,0,0]=3 233 B11R1.280 O=CC1=C(O)C=CC(CO)=C1 H63819 [1,0,0,0,0,0|2,0,1]=4 234 B13R1.13 CC(=O)C1=C(O)C=CC(C(=O)O)=C1 A38236 [0,1,0,0,0,0|1,0,0]=2 235 B13R1.13 CC(=O)C1=C(O)C=CC([N+](=O)[O-])=C1 H48521 [0,1,0,0,0,0|2,0,1]=4 236 B13R1.13 CC(=O)C1=CC([N+](=O)[O-])=C(O)C=C1 H68972 [0,1,0,0,0,0|3,0,0]=4 237 B13R1.13 CC(C)C1=C(O)C=CC([N+](=O)[O-])=C1 P50084 [0,1,0,0,0,0|2,0,1]=4 238 B13R1.13 CC1=C(B(O)O)C=C(C(=O)O)C=C1 B49415 [0,1,0,0,0,0|3,0,0]=4 239 B13R1.13 CC1=C([N+](=O)[O-])C=C(C(=O)O)C=C1 M61324 [0,1,0,0,0,0|3,0,0]=4 240 B13R1.13 NC1=C([N+](=O)[O-])C=C(C(=O)O)C=C1 A37826 [0,1,0,0,0,0|3,0,0]=4 241 B13R1.13 O=C(O)C1=CC(B(O)O)=C(Cl)C=C1 C45534 [0,1,0,0,0,0|3,0,0]=4 242 B13R1.13 O=C(O)C1=CC(B(O)O)=C(F)C=C1 B45537 [0,1,0,0,0,0|3,0,0]=4 243 B13R1.13 O=C(O)C1=CC(C(=O)O)=C(Cl)C=C1 C47820 [0,1,0,0,0,0|3,0,0]=4 244 B13R1.13 O=C(O)C1=CC(C(=O)O)=C(F)C=C1 F67154 [0,1,0,0,0,0|3,0,0]=4 245 B13R1.13 O=C(O)C1=CC(C(=O)O)=C(O)C=C1 H65677 [0,1,0,0,0,0|2,0,0]=3 246 B13R1.13 O=C(O)C1=CC([N+](=O)[O-])=C(Br)C=C1 B44495 [0,1,0,0,0,0|3,0,0]=4 247 B13R1.13 O=C(O)C1=CC([N+](=O)[O-])=C(Cl)C=C1 C38440 [0,1,0,0,0,0|3,0,0]=4 248 B13R1.13 O=C(O)C1=CC([N+](=O)[O-])=C(F)C=C1 N68073 [0,1,0,0,0,0|3,0,0]=4 249 B13R1.13 O=C(O)C1=CC([N+](=O)[O-])=C(I)C=C1 K67515 [0,1,0,0,0,0|3,0,0]=4 250 B13R1.13 O=C(O)C1=CC([N+](=O)[O-])=C(O)C=C1 H39362 [0,1,0,0,0,0|2,0,0]=3 251 B13R1.49 CCC(=O)C1=CC(OC)=C(O)C=C1 H52846 [0,1,0,0,0,0|1,0,0]=2 252 B13R1.49 COC(=O)C1=CC(C#N)=C(Cl)C=C1 M63443 [0,1,0,0,0,0|3,0,0]=4 253 B13R1.49 COC(=O)C1=CC(C#N)=C(F)C=C1 M50883 [0,1,0,0,0,0|3,0,0]=4 254 B13R1.49 COC(=O)C1=CC(C#N)=C(N)C=C1 M51382 [0,1,0,0,0,0|3,0,0]=4 255 B13R1.49 COC(=O)C1=CC(C#N)=C(O)C=C1 M51208 [0,1,0,0,0,0|2,0,0]=3 256 B13R1.49 COC(=O)C1=CC(C=O)=C(Cl)C=C1 M37291 [0,1,0,0,0,0|3,0,0]=4 257 B13R1.49 COC(=O)C1=CC(C=O)=C(N)C=C1 M51817 [0,1,0,0,0,0|3,0,0]=4 258 B13R1.49 COC(=O)C1=CC(C=O)=C(O)C=C1 M51641 [0,1,0,0,0,0|2,0,0]=3 259 B13R1.49 COC(=O)C1=CC(CBr)=C(Br)C=C1 M51564 [0,1,0,0,0,0|3,0,0]=4 260 B13R1.49 COC(=O)C1=CC(CO)=C(Br)C=C1 M63298 [0,1,0,0,0,0|3,0,0]=4 261 B13R1.49 COC(=O)C1=CC(CO)=C(N)C=C1 M50099 [0,1,0,0,0,0|3,0,0]=4 262 B13R1.49 COC(=O)C1=CC(OC)=C(Br)C=C1 M51973 [0,1,0,0,0,0|1,0,0]=2 263 B13R1.49 COC(=O)C1=CC(OC)=C(Br)C=N1 M37159 [0,1,0,0,0,0|2,0,0]=3 264 B13R1.49 COC(=O)C1=CC(OC)=C(I)C=C1 M52003 [0,1,0,0,0,0|1,0,0]=2 265 B13R1.49 COC(=O)C1=CC(OC)=C(N)C=C1 M64423 [0,1,0,0,0,0|1,0,0]=2 266 B13R1.49 COC(=O)C1=CN=C(Br)C(OC)=C1 M48990 [0,1,0,0,0,0|2,0,0]=3 267 B13R1.49 COC(=O)C1=CN=C(Cl)C(OC)=C1 M49003 [0,1,0,0,0,0|2,0,0]=3 268 B13R1.49 COC(=O)C1=NC(OC)=C(Br)C=C1 M48988 [0,1,0,0,0,0|2,0,0]=3 269 B13R1.49 COC(=O)C1=NC(OC)=C(O)C=C1 M49356 [0,1,0,0,0,0|1,0,0]=2 270 B13R1.49 COC1=C(F)C=CC(C(=O)CBr)=C1 B51591 [0,1,0,0,0,0|2,0,0]=3 271 B13R1.49 O=C(CBr)C1=CC(CO)=C(O)C=C1 B66625 [0,1,0,0,0,0|3,0,0]=4 272 B13R1.49 O=CC1=C(O)C=CC(C(=O)CBr)=C1 B51280 [0,1,0,0,0,0|3,0,0]=4 273 B13R1.50 COC1=C(N)C=CC(S(C)(=O)=O)=C1 M38702 [0,1,0,0,0,0|2,0,1]=4 274 B13R1.298 COC1=C(O)C(O)=CC(C(=O)O)=C1 D60814 [0,1,0,0,0,0|0,0,0]=1 275 B13R1.354 CCCC1=C(F)C=CC(C(=O)O)=C1 F52640 [0,1,0,0,0,0|2,0,0]=3 276 B13R1.354 CCOC1=C(Br)C=CC([N+](=O)[O-])=C1 B48984 [0,1,0,0,0,0|2,0,1]=4 277 B13R1.354 CCOC1=C(Cl)C=CC(B(O)O)=C1 C46845 [0,1,0,0,0,0|2,0,1]=4 278 B13R1.354 CCOC1=C(F)C=CC(B(O)O)=C1 E46847 [0,1,0,0,0,0|2,0,1]=4 279 B13R1.354 CCOC1=C(F)C=CC(C(C)=O)=C1 E52646 [0,1,0,0,0,0|2,0,0]=3 280 B13R1.354 CCOC1=C(F)C=CC([N+](=O)[O-])=C1 E49008 [0,1,0,0,0,0|2,0,1]=4 281 B13R1.354 COCC1=C(Cl)C=CC([N+](=O)[O-])=C1 C49005 [0,1,0,0,0,0|2,0,1]=4 282 B13R1.651 COC1=C(Cl)C=C(C)C([N+](=O)[O-])=C1 C49007 [0,1,0,0,0,0|2,0,1]=4 283 B13R1.651 COC1=C(Cl)C=C(F)C(B(O)O)=C1 C62095 [0,1,0,0,0,0|2,0,1]=4 284 B13R1.651 COC1=C(Cl)C=C(F)C([N+](=O)[O-])=C1 C39070 [0,1,0,0,0,0|2,0,1]=4 285 B13R1.651 COC1=C(F)C=C(N)C(C(=O)O)=C1 A14713 [0,1,0,0,0,0|1,0,0]=2 286 B13R1.651 COC1=CC(C(=O)O)=C(F)C=C1N A49010 [0,1,0,0,0,0|1,0,0]=2 287 B13R1.651 COC1=CC(C(C)=O)=C(F)C=C1O F37559 [0,1,0,0,0,0|1,0,0]=2 288 B13R1.651 COC1=CC([N+](=O)[O-])=C(Br)C=C1F B45007 [0,1,0,0,0,0|2,0,1]=4 289 B13R1.651 COC1=CC([N+](=O)[O-])=C(F)C=C1N F45683 [0,1,0,0,0,0|2,0,1]=4 290 B13R1.651 COC1=CC([N+](=O)[O-])=C(N)C=C1C M46691 [0,1,0,0,0,0|2,0,1]=4 291 B13R1.3091 C#CC1=C(CC)C=CC(C(=O)O)=C1 E54345 [0,1,0,0,0,0|2,0,1]=4 292 B13R1.3091 C#CC1=C(OC)C=C([N+](=O)[O-])C=C1 E51212 [0,1,0,0,0,0|2,0,1]=4 293 B13R1.3091 CCC1=C(CO)C=CC(C(C)=O)=C1 E62280 [0,1,0,0,0,0|2,0,0]=3 294 B13R1.3091 COC1=C(C#N)C=CC(B(O)O)=C1 C48982 [0,1,0,0,0,0|2,0,1]=4 295 B13R1.3091 COC1=C(OC)C=C(B(O)O)C=C1 D2780 [0,1,0,0,0,0|1,0,1]=3 296 B13R1.3091 COC1=C(OC)C=C(C(C)=O)C=C1 D67685 [0,1,0,0,0,0|1,0,0]=2 297 B13R1.3091 COC1=C(OC)C=C([C@@H](C)N)C=C1 D53151 [0,1,0,0,0,0|2,0,1]=4 298 B13R1.3091 COC1=C(OC)C=C([C@@H](C)N)C=C1 D54200 [0,1,0,0,0,0|2,0,1]=4 299 B13R1.3091 COC1=C(OC)C=C([N+](=O)[O-])C=C1 D49347 [0,1,0,0,0,0|1,0,1]=3 300 B13R1.3230 COC1=C(C)C(C(=O)O)=NC=C1C M14801 [0,1,0,0,0,0|2,0,0]=3 301 B13R1.3230 COC1=C(Cl)C(B(O)O)=CC=C1F C39097 [0,1,0,0,0,0|2,0,1]=4 302 B13R1.3230 COC1=C(F)C=CC(C(=O)O)=C1N A49009 [0,1,0,0,0,0|1,0,0]=2 303 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCC2 D65080 [0,0,0,1,0,0|2,0,0]=3 304 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 M51629 [0,0,0,1,0,0|1,0,0]=2 305 B13R2.430 NC(=O)C1=CC2=C(C=C1)OCC2 D51783 [0,0,0,1,0,0|2,0,0]=3 306 B13R2.430 O=C(O)C1=CC2=C(C=C1)C=NN2 I3443 [0,0,0,1,0,0|3,0,0]=4 307 B13R2.430 O=C(O)C1=CC2=C(C=C1)COC2 D61950 [0,0,0,1,0,0|3,0,0]=4 308 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CN2 B4612 [0,0,0,1,0,0|2,0,1]=4 309 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CO2 B20351 [0,0,0,1,0,0|1,0,1]=3 310 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 B47721 [0,0,0,1,0,0|1,1,1]=4 311 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 I5516 [0,0,0,1,0,0|2,0,1]=4 312 B13R2.430 O=C(O)C1=CC2=C(C=C1)NCC2 K51777 [0,0,0,1,0,0|2,0,0]=3 313 B13R2.430 O=C(O)C1=CC2=C(C=C1)NN=C2 I3442 [0,0,0,1,0,0|3,0,0]=4 314 B13R2.430 O=C(O)C1=CC2=C(C=C1)NN=N2 B37899 [0,0,0,1,0,0|3,0,0]=4 315 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 B50993 [0,0,0,1,0,0|1,0,1]=3 316 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=N2 B20156 [0,0,0,1,0,0|1,0,1]=3 317 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 B48236 [0,0,0,1,0,0|0,0,0]=1 318 B13R2.430 O=C(O)C1=CC2=C(C=C1)ON=C2 B60088 [0,0,0,1,0,0|2,0,0]=3 319 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 B64521 [0,0,0,1,0,0|1,1,1]=4 320 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=N2 B5791 [0,0,0,1,0,0|1,1,1]=4 321 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 I4654 [0,0,0,1,0,0|2,0,1]=4 322 B13R2.430 O=C(O)C1=CC2=C(C=CO2)C=C1 B29936 [0,0,0,1,0,0|1,0,1]=3 323 B13R2.430 O=C(O)C1=CC2=NON=C2C=C1 B22067 [0,0,0,1,0,0|3,0,0]=4 324 B13R2.430 O=C(O)C1=NC=C2OC=CC2=C1 F47727 [0,0,0,1,0,0|2,0,1]=4 325 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)OCC2 N48504 [0,0,0,1,0,0|2,0,1]=4 326 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)OCO2 N61948 [0,0,0,1,0,0|1,0,1]=3 327 B13R2.430 OB(O)C1=CC2=C(C=C1)CCO2 D38873 [0,0,0,1,0,0|2,0,1]=4 328 B13R2.430 OB(O)C1=CC2=C(C=C1)OCC2 D2710 [0,0,0,1,0,0|2,0,1]=4 329 B13R2.430 OB(O)C1=CC2=C(C=C1)OCO2 M4360 [0,0,0,1,0,0|1,0,1]=3 330 B11R1.48 COC1=CC(C(=O)O)=NN1C M43248 [0,0,0,0,1,0|3,0,0]=4 331 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 F51997 [0,0,0,0,0,1|1,0,0]=2 332 B13R1.52 N#CC1=C(F)C=CC(CC(=O)O)=C1 C50890 [0,0,0,0,0,1|3,0,0]=4 333 B10R1.13 C=C(C)C1=CC=C(O)C=C1 P49877 [2,0,0,0,0,0|2,0,0]=4 334 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M68572 [2,0,0,0,0,0|2,0,0]=4 335 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C68865 [2,0,0,0,0,0|2,0,0]=4 336 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F38426 [2,0,0,0,0,0|2,0,0]=4 337 B10R1.13 CC(=O)C1=CC=C(I)C=C1 K39500 [2,0,0,0,0,0|2,0,0]=4 338 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A68181 [2,0,0,0,0,0|2,0,0]=4 339 B10R1.13 CC(=O)C1=CC=C(O)C=C1 H64899 [2,0,0,0,0,0|1,0,0]=3 340 B10R1.13 CC(=O)C1=NC=C(O)C=C1 H45820 [2,0,0,0,0,0|2,0,0]=4 341 B10R1.13 CC1=CC=C(C(=O)O)C=C1 M64877 [2,0,0,0,0,0|1,0,0]=3 342 B10R1.13 CC1=CC=C(C(N)=O)C=C1 M39514 [2,0,0,0,0,0|2,0,0]=4 343 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M23707 [2,0,0,0,0,0|2,0,0]=4 344 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M46550 [2,0,0,0,0,0|2,0,0]=4 345 B10R1.13 CC1=NC=C(C(=O)O)C=C1 M10933 [2,0,0,0,0,0|2,0,0]=4 346 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 H46826 [2,0,0,0,0,0|1,0,1]=4 347 B10R1.13 N=C(N)C1=CC=C(O)C=C1 H46554 [2,0,0,0,0,0|2,0,0]=4 348 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 B45467 [2,0,0,0,0,0|2,0,0]=4 349 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 C45478 [2,0,0,0,0,0|2,0,0]=4 350 B10R1.13 NC(=O)C1=CC=C(N)C=C1 A37818 [2,0,0,0,0,0|2,0,0]=4 351 B10R1.13 NC(=S)C1=CC=C(O)C=C1 H39401 [2,0,0,0,0,0|1,1,0]=4 352 B10R1.13 NC1=CN=C(C(=O)O)C=C1 A1119 [2,0,0,0,0,0|2,0,0]=4 353 B10R1.13 NC1=NC=C(C(=O)O)C=C1 A4758 [2,0,0,0,0,0|2,0,0]=4 354 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 C67273 [2,0,0,0,0,0|1,0,0]=3 355 B10R1.13 O=C(O)C1=CC=C(I)C=C1 K39365 [2,0,0,0,0,0|1,0,0]=3 356 B10R1.13 O=C(O)C1=CC=C(S)C=C1 M69070 [2,0,0,0,0,0|0,1,0]=3 357 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 B4499 [2,0,0,0,0,0|2,0,0]=4 358 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 C24114 [2,0,0,0,0,0|2,0,0]=4 359 B10R1.13 O=C(O)C1=CN=C(F)C=C1 F2849 [2,0,0,0,0,0|2,0,0]=4 360 B10R1.13 O=C(O)C1=CN=C(O)N=C1 H4911 [2,0,0,0,0,0|2,0,0]=4 361 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 B4511 [2,0,0,0,0,0|2,0,0]=4 362 B10R1.13 O=C(O)C1=NC=C(F)C=C1 F13767 [2,0,0,0,0,0|2,0,0]=4 363 B10R1.13 O=C(O)C1=NC=C(I)C=C1 I38885 [2,0,0,0,0,0|2,0,0]=4 364 B10R1.13 O=C(O)C1=NC=C(O)C=C1 H8151 [2,0,0,0,0,0|1,0,0]=3 365 B10R1.13 O=C(O)C1=NC=C(O)N=C1 H12388 [2,0,0,0,0,0|2,0,0]=4 366 B10R1.13 O=C(O)C1=NN=C(O)C=C1 H0266 [2,0,0,0,0,0|2,0,0]=4 367 B10R1.13 O=C(O)C1=NN=C(O)C=C1 H41345 [2,0,0,0,0,0|2,0,0]=4 368 B10R1.13 O=C1C=CC(C(=O)O)=CN1 H12738 [2,0,0,0,0,0|1,0,1]=4 369 B10R1.13 O=C1C=CC(C(=O)O)=CO1 C7780 [2,0,0,0,0,0|1,0,1]=4 370 B10R1.13 O=[S@](O)C1=CC=C(Br)C=C1 B42696 [2,0,0,0,0,0|2,0,0]=4 371 B10R1.113 CC(=O)C1=CC(C)=CC=C1 T39528 [2,0,0,0,0,0|1,0,0]=3 372 B10R1.113 CC(=O)C1=CC(C)=NC=C1 M49265 [2,0,0,0,0,0|2,0,0]=4 373 B10R1.113 CC(=O)C1=CC(N)=CC=C1 A68568 [2,0,0,0,0,0|2,0,0]=4 374 B10R1.113 CC(=O)C1=CC(O)=CC=C1 H60763 [2,0,0,0,0,0|1,0,0]=3 375 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 C69069 [2,0,0,0,0,0|2,0,0]=4 376 B10R1.113 CC(=O)C1=CC=CC(F)=C1 F48736 [2,0,0,0,0,0|2,0,0]=4 377 B10R1.113 CC(=O)C1=CC=CC(I)=C1 I37889 [2,0,0,0,0,0|2,0,0]=4 378 B10R1.113 CC(=O)C1=CN=CC(C)=C1 M63719 [2,0,0,0,0,0|2,0,0]=4 379 B10R1.113 CC(=O)C1=NC(C)=CC=C1 A49259 [2,0,0,0,0,0|2,0,0]=4 380 B10R1.113 CC(=O)C1=NC=CC(C)=C1 M4575 [2,0,0,0,0,0|2,0,0]=4 381 B10R1.113 CC1=CC(C(=O)O)=CN=C1 M10515 [2,0,0,0,0,0|1,0,0]=3 382 B10R1.113 CC1=CC(C(=O)O)=CN=N1 M16625 [2,0,0,0,0,0|2,0,0]=4 383 B10R1.113 CC1=CC(C(=O)O)=NC=C1 M38719 [2,0,0,0,0,0|1,0,0]=3 384 B10R1.113 CC1=CC(C(=O)O)=NC=N1 M14544 [2,0,0,0,0,0|2,0,0]=4 385 B10R1.113 CC1=CC(C(=O)O)=NN=C1 M17544 [2,0,0,0,0,0|2,0,0]=4 386 B10R1.113 CC1=CC=CC(B(O)O)=C1 T5210 [2,0,0,0,0,0|1,0,1]=4 387 B10R1.113 CC1=CC=CC(C(=N)N)=C1 M49488 [2,0,0,0,0,0|2,0,0]=4 388 B10R1.113 CC1=CC=CC(C(=O)O)=N1 M45823 [2,0,0,0,0,0|1,0,0]=3 389 B10R1.113 CC1=CC=NC(C(=O)O)=N1 M14425 [2,0,0,0,0,0|2,0,0]=4 390 B10R1.113 CC1=CN=CC(C(=O)O)=N1 M10680 [2,0,0,0,0,0|2,0,0]=4 391 B10R1.113 CC1=NC=CC(C(=O)O)=C1 M15805 [2,0,0,0,0,0|1,0,0]=3 392 B10R1.113 CC1=NC=CC(C(=O)O)=N1 M42778 [2,0,0,0,0,0|2,0,0]=4 393 B10R1.113 NC(=O)C1=CC(O)=CC=C1 H45813 [2,0,0,0,0,0|1,0,0]=3 394 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 B45466 [2,0,0,0,0,0|2,0,0]=4 395 B10R1.113 NC(=O)C1=CC=CC(F)=C1 F45492 [2,0,0,0,0,0|2,0,0]=4 396 B10R1.113 NC(=O)C1=NC(O)=CC=C1 H42772 [2,0,0,0,0,0|2,0,0]=4 397 B10R1.113 NC1=CC(C(=O)O)=CN=C1 A4566 [2,0,0,0,0,0|2,0,0]=4 398 B10R1.113 NC1=CC(C(=O)O)=NC=C1 A10317 [2,0,0,0,0,0|2,0,0]=4 399 B10R1.113 NC1=CC=CC(C(=O)O)=C1 A69286 [2,0,0,0,0,0|1,0,0]=3 400 B10R1.113 NC1=CC=CC(C(=O)O)=N1 A4798 [2,0,0,0,0,0|2,0,0]=4 401 B10R1.113 NC1=NC=CC(C(=O)O)=C1 A3938 [2,0,0,0,0,0|2,0,0]=4 402 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=C1 C64820 [2,0,0,0,0,0|2,0,0]=4 403 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 B69308 [2,0,0,0,0,0|2,0,0]=4 404 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 B2422 [2,0,0,0,0,0|2,0,0]=4 405 B10R1.113 O=C(O)C1=CC(Cl)=CN=C1 C10556 [2,0,0,0,0,0|2,0,0]=4 406 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 C12400 [2,0,0,0,0,0|2,0,0]=4 407 B10R1.113 O=C(O)C1=CC(F)=CN=C1 F12047 [2,0,0,0,0,0|2,0,0]=4 408 B10R1.113 O=C(O)C1=CC(F)=NC=C1 F42254 [2,0,0,0,0,0|2,0,0]=4 409 B10R1.113 O=C(O)C1=CC(O)=NC=C1 H3170 [2,0,0,0,0,0|1,0,0]=3 410 B10R1.113 O=C(O)C1=CC(O)=NC=C1 H38104 [2,0,0,0,0,0|1,0,0]=3 411 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 B39364 [2,0,0,0,0,0|1,0,0]=3 412 B10R1.113 O=C(O)C1=CC=CC(Br)=N1 B4508 [2,0,0,0,0,0|2,0,0]=4 413 B10R1.113 O=C(O)C1=CC=CC(F)=C1 F68888 [2,0,0,0,0,0|1,0,0]=3 414 B10R1.113 O=C(O)C1=CC=CC(F)=N1 F3784 [2,0,0,0,0,0|2,0,0]=4 415 B10R1.113 O=C(O)C1=CC=CC(I)=C1 K68155 [2,0,0,0,0,0|1,0,0]=3 416 B10R1.113 O=C(O)C1=CN=CC(O)=C1 H4735 [2,0,0,0,0,0|1,0,0]=3 417 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 B7920 [2,0,0,0,0,0|2,0,0]=4 418 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 C24201 [2,0,0,0,0,0|2,0,0]=4 419 B10R1.113 O=C(O)C1=NC=CC(F)=C1 F42252 [2,0,0,0,0,0|2,0,0]=4 420 B10R1.113 O=C(O)C1=NC=CC(I)=C1 I3949 [2,0,0,0,0,0|2,0,0]=4 421 B10R1.113 O=C(O)C1=NC=CC(O)=C1 H9415 [2,0,0,0,0,0|1,0,0]=3 422 B10R1.113 O=C(O)C1=NC=NC(O)=C1 H3196 [2,0,0,0,0,0|2,0,0]=4 423 B10R1.113 OB(O)C1=CC=CC(O)=C1 H3740 [2,0,0,0,0,0|1,0,1]=4 424 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 B48714 [2,0,0,0,0,0|2,0,0]=4 425 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 B48717 [2,0,0,0,0,0|1,0,0]=3 426 B10R1.176 CC1=C(Br)C=CC(C=O)=N1 B19216 [2,0,0,0,0,0|2,0,0]=4 427 B10R1.176 CC1=C(Br)C=CC(CO)=C1 B49433 [2,0,0,0,0,0|1,0,1]=4 428 B10R1.176 CC1=C(Br)C=NC(C=O)=C1 B45474 [2,0,0,0,0,0|2,0,0]=4 429 B10R1.176 CC1=C(C)C=C(CO)C=C1 D50275 [2,0,0,0,0,0|1,0,1]=4 430 B10R1.176 CC1=C(Cl)C=C(C=O)C=C1 C48728 [2,0,0,0,0,0|2,0,0]=4 431 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 C48730 [2,0,0,0,0,0|1,0,0]=3 432 B10R1.176 CC1=C(F)C=CC(C=O)=C1 F48742 [2,0,0,0,0,0|1,0,0]=3 433 B10R1.176 CC1=C(F)C=CC(C=O)=N1 F26082 [2,0,0,0,0,0|2,0,0]=4 434 B10R1.176 CC1=C(O)C=C(C=O)C=C1 H67820 [2,0,0,0,0,0|1,0,0]=3 435 B10R1.176 CC1=C(O)C=CC(C#N)=C1 H48450 [2,0,0,0,0,0|1,0,1]=4 436 B10R1.176 CC1=C(O)C=CC(C=O)=C1 H49074 [2,0,0,0,0,0|0,0,0]=2 437 B10R1.176 CC1=C(O)C=CC(CO)=C1 H46832 [2,0,0,0,0,0|0,0,1]=3 438 B10R1.176 CC1=CC(C=O)=CN=C1Br B45476 [2,0,0,0,0,0|2,0,0]=4 439 B10R1.176 COC1=CC(C)=C(O)C=C1 H38045 [2,0,0,0,0,0|2,0,0]=4 440 B10R1.176 N#CC1=CC(O)=C(O)C=C1 P68087 [2,0,0,0,0,0|1,0,1]=4 441 B10R1.176 NC1=C(O)C=CC(CO)=C1 A46403 [2,0,0,0,0,0|1,0,1]=4 442 B10R1.176 O=CC1=CC(Br)=C(Br)C=C1 D44634 [2,0,0,0,0,0|2,0,0]=4 443 B10R1.176 O=CC1=CC(Br)=C(Cl)C=C1 B44639 [2,0,0,0,0,0|2,0,0]=4 444 B10R1.176 O=CC1=CC(Br)=C(F)C=C1 B64545 [2,0,0,0,0,0|2,0,0]=4 445 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 B45084 [2,0,0,0,0,0|1,0,0]=3 446 B10R1.176 O=CC1=CC(Cl)=C(Br)C=C1 B44641 [2,0,0,0,0,0|2,0,0]=4 447 B10R1.176 O=CC1=CC(Cl)=C(F)C=C1 C69059 [2,0,0,0,0,0|2,0,0]=4 448 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 C45092 [2,0,0,0,0,0|1,0,0]=3 449 B10R1.176 O=CC1=CC(Cl)=C(O)N=C1 C42251 [2,0,0,0,0,0|2,0,0]=4 450 B10R1.176 O=CC1=CC(F)=C(Br)C=C1 B18680 [2,0,0,0,0,0|2,0,0]=4 451 B10R1.176 O=CC1=CC(F)=C(Cl)C=C1 C44666 [2,0,0,0,0,0|2,0,0]=4 452 B10R1.176 O=CC1=CC(F)=C(F)C=C1 D39346 [2,0,0,0,0,0|2,0,0]=4 453 B10R1.176 O=CC1=CC(F)=C(I)C=C1 F44687 [2,0,0,0,0,0|2,0,0]=4 454 B10R1.176 O=CC1=CC(F)=C(O)C=C1 F45101 [2,0,0,0,0,0|1,0,0]=3 455 B10R1.176 O=CC1=CC(I)=C(Cl)C=C1 C44674 [2,0,0,0,0,0|2,0,0]=4 456 B10R1.176 O=CC1=CC(I)=C(O)C=C1 H69424 [2,0,0,0,0,0|1,0,0]=3 457 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 B36771 [2,0,0,0,0,0|1,0,0]=3 458 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 C36636 [2,0,0,0,0,0|1,0,0]=3 459 B10R1.176 O=CC1=CC(O)=C(I)C=C1 H61294 [2,0,0,0,0,0|1,0,0]=3 460 B10R1.176 OCC1=CC(Br)=C(O)C=C1 B45902 [2,0,0,0,0,0|1,0,1]=4 461 B10R1.176 OCC1=CC(O)=C(Br)C=C1 B45903 [2,0,0,0,0,0|1,0,1]=4 462 B10R1.176 OCC1=CC(O)=C(F)C=C1 F45920 [2,0,0,0,0,0|1,0,1]=4 463 B10R1.176 OCC1=CC(O)=C(I)C=C1 H45924 [2,0,0,0,0,0|1,0,1]=4 464 B10R1.172 C#CC1=CC=CC(C=O)=C1 E50961 [2,0,0,0,0,0|1,0,1]=4 465 B10R1.172 C#CC1=CC=CC(OC)=C1 E25312 [2,0,0,0,0,0|1,0,1]=4 466 B10R1.172 CCC1=CC=CC(C=O)=C1 E49870 [2,0,0,0,0,0|1,0,0]=3 467 B10R1.172 CCC1=CC=CC(C=O)=N1 E49258 [2,0,0,0,0,0|2,0,0]=4 468 B10R1.172 COC1=CC(C#N)=CC=C1 M65442 [2,0,0,0,0,0|1,0,1]=4 469 B10R1.172 COC1=CC(C=O)=CN=C1 M2961 [2,0,0,0,0,0|1,0,0]=3 470 B10R1.172 COC1=CC(C=O)=NC=C1 M38180 [2,0,0,0,0,0|1,0,0]=3 471 B10R1.172 COC1=CC(CN)=CC=C1 M27985 [2,0,0,0,0,0|1,0,1]=4 472 B10R1.172 COC1=CC(CO)=CC=C1 M39430 [2,0,0,0,0,0|0,0,1]=3 473 B10R1.172 COC1=CC(CO)=NC=C1 M38100 [2,0,0,0,0,0|1,0,1]=4 474 B10R1.172 COC1=CC(NN)=CC=C1 M69005 [2,0,0,0,0,0|2,0,0]=4 475 B10R1.172 COC1=CC=CC(C=O)=C1 M67838 [2,0,0,0,0,0|0,0,0]=2 476 B10R1.172 COC1=CC=CC(C=O)=N1 M24168 [2,0,0,0,0,0|1,0,0]=3 477 B10R1.172 COC1=CC=CC(CCl)=C1 C49452 [2,0,0,0,0,0|1,0,1]=4 478 B10R1.172 COC1=CN=CC(CO)=C1 M14136 [2,0,0,0,0,0|1,0,1]=4 479 B10R1.172 COC1=NC(CO)=CC=C1 M46402 [2,0,0,0,0,0|1,0,1]=4 480 B10R1.172 COC1=NC=CC(C=O)=C1 M3688 [2,0,0,0,0,0|1,0,0]=3 481 B10R1.172 COC1=NC=CC(C=O)=N1 M67794 [2,0,0,0,0,0|2,0,0]=4 482 B10R1.172 COC1=NC=CC(CO)=C1 M0582 [2,0,0,0,0,0|1,0,1]=4 483 B10R1.172 N#CC1=CC=CC(C=O)=C1 C47711 [2,0,0,0,0,0|2,0,0]=4 484 B10R1.172 O=CC1=CC(CO)=CC=C1 H36764 [2,0,0,0,0,0|2,0,0]=4 485 B10R1.172 O=CC1=CC=CC(CBr)=C1 B48710 [2,0,0,0,0,0|2,0,0]=4 486 B10R1.30 CCC1=C(Br)C=CC(O)=C1 B49425 [2,0,0,0,0,0|2,0,0]=4 487 B10R1.30 CNC1=C(C)C=CC(O)=C1 M46910 [2,0,0,0,0,0|2,0,0]=4 488 B10R1.30 COC1=C(Br)C=CC(Br)=C1 D45542 [2,0,0,0,0,0|2,0,0]=4 489 B10R1.30 COC1=C(Br)C=CC(C)=C1 B49434 [2,0,0,0,0,0|1,0,1]=4 490 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 B45562 [2,0,0,0,0,0|2,0,0]=4 491 B10R1.30 COC1=C(Br)C=CC(F)=C1 B45575 [2,0,0,0,0,0|2,0,0]=4 492 B10R1.30 COC1=C(Br)C=CC(I)=C1 B45582 [2,0,0,0,0,0|2,0,0]=4 493 B10R1.30 COC1=C(Br)C=CC(N)=C1 B46156 [2,0,0,0,0,0|2,0,0]=4 494 B10R1.30 COC1=C(Br)C=CC(O)=C1 B45901 [2,0,0,0,0,0|1,0,0]=3 495 B10R1.30 COC1=C(C)C=CC(Br)=C1 B49441 [2,0,0,0,0,0|2,0,0]=4 496 B10R1.30 COC1=C(C)C=CC(C)=C1 M50278 [2,0,0,0,0,0|1,0,1]=4 497 B10R1.30 COC1=C(C)C=CC(N)=C1 M46899 [2,0,0,0,0,0|2,0,0]=4 498 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 B45554 [2,0,0,0,0,0|2,0,0]=4 499 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 D45591 [2,0,0,0,0,0|2,0,0]=4 500 B10R1.30 COC1=C(Cl)C=CC(F)=C1 C45592 [2,0,0,0,0,0|2,0,0]=4 501 B10R1.30 COC1=C(Cl)C=CC(I)=C1 C45601 [2,0,0,0,0,0|2,0,0]=4 502 B10R1.30 COC1=C(Cl)C=CC(N)=C1 C46190 [2,0,0,0,0,0|2,0,0]=4 503 B10R1.30 COC1=C(Cl)C=CC(O)=C1 C45912 [2,0,0,0,0,0|1,0,0]=3 504 B10R1.30 COC1=C(F)C=CC(Br)=C1 B45577 [2,0,0,0,0,0|2,0,0]=4 505 B10R1.30 COC1=C(F)C=CC(I)=C1 F63969 [2,0,0,0,0,0|2,0,0]=4 506 B10R1.30 COC1=C(F)C=CC(N)=C1 F46210 [2,0,0,0,0,0|2,0,0]=4 507 B10R1.30 COC1=C(F)C=CC(O)=C1 F45918 [2,0,0,0,0,0|1,0,0]=3 508 B10R1.30 COC1=C(I)C=CC(Br)=C1 B38625 [2,0,0,0,0,0|2,0,0]=4 509 B10R1.30 COC1=C(I)C=CC(Cl)=C1 C45603 [2,0,0,0,0,0|2,0,0]=4 510 B10R1.30 COC1=C(I)C=CC(N)=C1 K46230 [2,0,0,0,0,0|2,0,0]=4 511 B10R1.30 COC1=C(N)C=CC(Br)=C1 B37849 [2,0,0,0,0,0|2,0,0]=4 512 B10R1.30 COC1=C(N)C=CC(C)=C1 M69494 [2,0,0,0,0,0|1,0,1]=4 513 B10R1.30 COC1=C(N)C=CC(Cl)=C1 C46189 [2,0,0,0,0,0|2,0,0]=4 514 B10R1.30 COC1=C(N)C=CC(Cl)=C1 C46203 [2,0,0,0,0,0|2,0,0]=4 515 B10R1.30 COC1=C(N)C=CC(F)=C1 F46209 [2,0,0,0,0,0|2,0,0]=4 516 B10R1.30 COC1=C(N)C=CC(N)=C1 M43596 [2,0,0,0,0,0|2,0,0]=4 517 B10R1.30 COC1=C(O)C=CC(Br)=C1 B1785 [2,0,0,0,0,0|1,0,0]=3 518 B10R1.30 COC1=C(O)C=CC(Br)=N1 B61798 [2,0,0,0,0,0|2,0,0]=4 519 B10R1.30 COC1=C(O)C=CC(C)=C1 M69495 [2,0,0,0,0,0|0,0,1]=3 520 B10R1.30 COC1=C(O)C=CC(Cl)=C1 C63275 [2,0,0,0,0,0|1,0,0]=3 521 B10R1.30 COC1=C(O)C=CC(F)=C1 F23730 [2,0,0,0,0,0|1,0,0]=3 522 B10R1.30 COC1=C(O)C=CC(N)=C1 A46396 [2,0,0,0,0,0|1,0,0]=3 523 B10R1.30 COC1=C([Mg+])C=CC(Cl)=C1 C31792 [2,0,0,0,0,0|2,0,0]=4 524 B10R1.30 COC1=CC(O)=CN=C1Cl C12083 [2,0,0,0,0,0|2,0,0]=4 525 B10R1.30 O=CC1=C(O)C=CC(O)=C1 D60796 [2,0,0,0,0,0|2,0,0]=4 526 B12R1.48 C#CC1=C(C)C=C(C(=O)O)C=C1 E53795 [1,1,0,0,0,0|1,0,0]=3 527 B12R1.48 C#CC1=C(Cl)C=C(C(=O)O)C=C1 C50768 [1,1,0,0,0,0|2,0,0]=4 528 B12R1.48 C#CC1=C(F)C=C(C(=O)O)C=C1 E50773 [1,1,0,0,0,0|2,0,0]=4 529 B12R1.48 CC1=C(C#N)C=CC(C(=O)O)=C1 C51177 [1,1,0,0,0,0|1,0,0]=3 530 B12R1.48 CC1=C(CO)C=CC([N+](=O)[O-])=C1 M49322 [1,1,0,0,0,0|1,0,1]=4 531 B12R1.48 CCC1=C(Br)C=C(C(=O)O)C=C1 B36941 [1,1,0,0,0,0|2,0,0]=4 532 B12R1.48 CCC1=C(N)C=C(C(=O)O)C=C1 A50040 [1,1,0,0,0,0|2,0,0]=4 533 B12R1.48 CNC1=C(N)C=C(C(=O)O)C=C1 A46677 [1,1,0,0,0,0|2,0,0]=4 534 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=C1 B48640 [1,1,0,0,0,0|1,0,0]=3 535 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 B45411 [1,1,0,0,0,0|2,0,0]=4 536 B12R1.48 COC1=C(Br)C=C(C(C)=O)C=C1 B51906 [1,1,0,0,0,0|2,0,0]=4 537 B12R1.48 COC1=C(C)C=C(B(O)O)C=C1 M2759 [1,1,0,0,0,0|1,0,1]=4 538 B12R1.48 COC1=C(C)C=C(C(=O)O)C=C1 M49918 [1,1,0,0,0,0|0,0,0]=2 539 B12R1.48 COC1=C(C)C=C(C(C)=O)C=C1 M52806 [1,1,0,0,0,0|1,0,0]=3 540 B12R1.48 COC1=C(C)C=C([N+](=O)[O-])C=C1 M49329 [1,1,0,0,0,0|1,0,1]=4 541 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=C1 C36658 [1,1,0,0,0,0|1,0,0]=3 542 B12R1.48 COC1=C(Cl)C=C(C(=O)O)N=C1 C13348 [1,1,0,0,0,0|2,0,0]=4 543 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 F69026 [1,1,0,0,0,0|1,0,0]=3 544 B12R1.48 COC1=C(F)C=C(C(=O)O)C=N1 F45448 [1,1,0,0,0,0|2,0,0]=4 545 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 F51937 [1,1,0,0,0,0|2,0,0]=4 546 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 A69041 [1,1,0,0,0,0|1,0,0]=3 547 B12R1.48 COC1=C(O)C=C([N+](=O)[O-])C=C1 M39400 [1,1,0,0,0,0|1,0,1]=4 548 B12R1.48 COC1=CC=C(C(=O)O)N=C1Br B45415 [1,1,0,0,0,0|2,0,0]=4 549 B12R1.48 N#CC1=C(Cl)C=C(C(=O)O)C=C1 C47394 [1,1,0,0,0,0|2,0,0]=4 550 B12R1.48 N#CC1=C(F)C=C(C(=O)O)C=C1 C47404 [1,1,0,0,0,0|2,0,0]=4 551 B12R1.48 N#CC1=C(N)C=C(C(=O)O)C=C1 A36828 [1,1,0,0,0,0|2,0,0]=4 552 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 B47798 [1,1,0,0,0,0|1,0,1]=4 553 B12R1.48 O=CC1=C(O)C=C(C(=O)O)C=C1 F48232 [1,1,0,0,0,0|0,0,1]=3 554 B12R1.232 CC(=O)C1=C(O)C=C(O)C(O)=C1 T49116 [1,1,0,0,0,0|1,0,0]=3 555 B12R1.232 CC(=O)C1=CC(C)=C(Cl)C=C1F C63624 [1,1,0,0,0,0|2,0,0]=4 556 B12R1.232 CC1=C(Br)C=C(C(=O)O)C(F)=C1 B48151 [1,1,0,0,0,0|2,0,0]=4 557 B12R1.232 CC1=C(Br)C=C(F)C(C(=O)O)=C1 B48150 [1,1,0,0,0,0|1,0,0]=3 558 B12R1.232 CC1=C(C)N=C(Cl)C(C(=O)O)=C1 C37544 [1,1,0,0,0,0|2,0,0]=4 559 B12R1.232 CC1=C(Cl)C=C(N)C(C(=O)O)=C1 A65831 [1,1,0,0,0,0|1,0,0]=3 560 B12R1.232 CC1=CC(Br)=C(C(=O)O)C=C1F B48146 [1,1,0,0,0,0|2,0,0]=4 561 B12R1.232 CC1=CC(Br)=C(C(=O)O)C=C1N A48930 [1,1,0,0,0,0|2,0,0]=4 562 B12R1.232 CC1=CC(Br)=C(F)C=C1C(=O)O B37638 [1,1,0,0,0,0|2,0,0]=4 563 B12R1.232 CC1=CC(C(=O)O)=C(Br)C=C1F B48144 [1,1,0,0,0,0|1,0,0]=3 564 B12R1.232 CC1=CC(C(=O)O)=C(C)C=C1N A50067 [1,1,0,0,0,0|1,0,0]=3 565 B12R1.232 CC1=CC(C(=O)O)=C(F)C=C1F D48193 [1,1,0,0,0,0|1,0,0]=3 566 B12R1.232 CC1=CC(C)=C(Br)C=C1C(=O)O B67324 [1,1,0,0,0,0|2,0,0]=4 567 B12R1.232 CC1=CC(Cl)=C(Cl)C=C1C(=O)O D48163 [1,1,0,0,0,0|2,0,0]=4 568 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1F D48194 [1,1,0,0,0,0|2,0,0]=4 569 B12R1.232 CC1=CC(F)=C(F)C=C1C(=O)O D48198 [1,1,0,0,0,0|2,0,0]=4 570 B12R1.232 CC1=CC(N)=C(C(=O)O)C=C1C A50065 [1,1,0,0,0,0|1,0,0]=3 571 B12R1.232 CC1=CC([N+](=O)[O-])=C(C)C=C1O D49310 [1,1,0,0,0,0|1,0,1]=4 572 B12R1.232 NC1=CC(Br)=C(Br)C=C1C(=O)O A44932 [1,1,0,0,0,0|2,0,0]=4 573 B12R1.232 NC1=CC(Br)=C(Cl)C=C1C(=O)O A37910 [1,1,0,0,0,0|2,0,0]=4 574 B12R1.232 NC1=CC(Br)=C(F)C=C1C(=O)O A37099 [1,1,0,0,0,0|2,0,0]=4 575 B12R1.232 NC1=CC(Cl)=C(Br)C=C1C(=O)O A39023 [1,1,0,0,0,0|2,0,0]=4 576 B12R1.232 NC1=CC(Cl)=C(F)C=C1C(=O)O A67721 [1,1,0,0,0,0|2,0,0]=4 577 B12R1.232 NC1=CC(F)=C(Br)C=C1C(=O)O A37782 [1,1,0,0,0,0|2,0,0]=4 578 B12R1.232 NC1=CC(F)=C(Cl)C=C1C(=O)O A44974 [1,1,0,0,0,0|2,0,0]=4 579 B12R1.232 NC1=CC(F)=C(F)C=C1C(=O)O A67487 [1,1,0,0,0,0|2,0,0]=4 580 B12R1.232 O=C(O)C1=C(Br)C=C(F)C(F)=C1 B44198 [1,1,0,0,0,0|2,0,0]=4 581 B12R1.232 O=C(O)C1=C(Cl)C=C(F)C(F)=C1 C44211 [1,1,0,0,0,0|2,0,0]=4 582 B12R1.232 O=C(O)C1=C(I)C=C(F)C(F)=C1 D44221 [1,1,0,0,0,0|2,0,0]=4 583 B12R1.232 O=C(O)C1=CC(Br)=C(Br)C=C1F D44191 [1,1,0,0,0,0|2,0,0]=4 584 B12R1.232 O=C(O)C1=CC(Br)=C(Cl)C=C1F B22852 [1,1,0,0,0,0|2,0,0]=4 585 B12R1.232 O=C(O)C1=CC(Br)=C(F)C=C1F B22818 [1,1,0,0,0,0|2,0,0]=4 586 B12R1.232 O=C(O)C1=CC(Cl)=C(Br)C=C1Cl B38727 [1,1,0,0,0,0|2,0,0]=4 587 B12R1.232 O=C(O)C1=CC(Cl)=C(Br)C=C1F B37657 [1,1,0,0,0,0|2,0,0]=4 588 B12R1.232 O=C(O)C1=CC(Cl)=C(Cl)C=C1Cl T44208 [1,1,0,0,0,0|2,0,0]=4 589 B12R1.232 O=C(O)C1=CC(Cl)=C(Cl)C=C1F D69529 [1,1,0,0,0,0|2,0,0]=4 590 B12R1.232 O=C(O)C1=CC(Cl)=C(F)C=C1F C44216 [1,1,0,0,0,0|2,0,0]=4 591 B12R1.232 O=C(O)C1=CC(F)=C(Br)C=C1Cl B44194 [1,1,0,0,0,0|2,0,0]=4 592 B12R1.232 O=C(O)C1=CC(F)=C(Br)C=C1F B44201 [1,1,0,0,0,0|2,0,0]=4 593 B12R1.232 O=C(O)C1=CC(F)=C(Cl)C=C1Cl D44205 [1,1,0,0,0,0|2,0,0]=4 594 B12R1.232 O=C(O)C1=CC(F)=C(F)C=C1O D44627 [1,1,0,0,0,0|2,0,0]=4 595 B12R1.232 O=C(O)C1=CC(I)=C(F)C=C1Cl C44218 [1,1,0,0,0,0|2,0,0]=4 596 B12R1.232 O=C(O)C1=CC(I)=C(F)C=C1F D29699 [1,1,0,0,0,0|2,0,0]=4 597 B12R1.232 O=C(O)C1=NC(O)=C(Cl)C=C1Cl D41972 [1,1,0,0,0,0|2,0,0]=4 598 B12R1.367 CCC(=O)C1=CC(C)=C(C)C=C1 D54760 [1,1,0,0,0,0|2,0,0]=4 599 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=C1 M51896 [1,1,0,0,0,0|2,0,0]=4 600 B12R1.367 COC(=O)C1=CC(Br)=C(Cl)C=C1 M48123 [1,1,0,0,0,0|2,0,0]=4 601 B12R1.367 COC(=O)C1=CC(Br)=C(F)C=C1 M48132 [1,1,0,0,0,0|2,0,0]=4 602 B12R1.367 COC(=O)C1=CC(Br)=C(I)C=C1 M48157 [1,1,0,0,0,0|2,0,0]=4 603 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 M48912 [1,1,0,0,0,0|2,0,0]=4 604 B12R1.367 COC(=O)C1=CC(Br)=C(O)C=C1 M48645 [1,1,0,0,0,0|1,0,0]=3 605 B12R1.367 COC(=O)C1=CC(Br)=C(O)N=C1 M62090 [1,1,0,0,0,0|2,0,0]=4 606 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 M51899 [1,1,0,0,0,0|1,0,0]=3 607 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=N1 M26172 [1,1,0,0,0,0|2,0,0]=4 608 B12R1.367 COC(=O)C1=CC(C)=C(Cl)C=C1 M51925 [1,1,0,0,0,0|1,0,0]=3 609 B12R1.367 COC(=O)C1=CC(C)=C(F)C=C1 M51943 [1,1,0,0,0,0|1,0,0]=3 610 B12R1.367 COC(=O)C1=CC(C)=C(I)C=C1 M51963 [1,1,0,0,0,0|1,0,0]=3 611 B12R1.367 COC(=O)C1=CC(C)=C(N)C=C1 M9471 [1,1,0,0,0,0|1,0,0]=3 612 B12R1.367 COC(=O)C1=CC(C)=C(O)C=C1 M49925 [1,1,0,0,0,0|0,0,0]=2 613 B12R1.367 COC(=O)C1=CC(Cl)=C(Br)C=C1 M61234 [1,1,0,0,0,0|2,0,0]=4 614 B12R1.367 COC(=O)C1=CC(Cl)=C(F)C=C1 M48165 [1,1,0,0,0,0|2,0,0]=4 615 B12R1.367 COC(=O)C1=CC(Cl)=C(N)C=C1 M48942 [1,1,0,0,0,0|2,0,0]=4 616 B12R1.367 COC(=O)C1=CC(Cl)=C(O)C=C1 M48662 [1,1,0,0,0,0|1,0,0]=3 617 B12R1.367 COC(=O)C1=CC(F)=C(Br)C=C1 M48135 [1,1,0,0,0,0|2,0,0]=4 618 B12R1.367 COC(=O)C1=CC(F)=C(C)C=C1 M51942 [1,1,0,0,0,0|2,0,0]=4 619 B12R1.367 COC(=O)C1=CC(F)=C(Cl)C=C1 M48168 [1,1,0,0,0,0|2,0,0]=4 620 B12R1.367 COC(=O)C1=CC(F)=C(F)C=C1 M39474 [1,1,0,0,0,0|2,0,0]=4 621 B12R1.367 COC(=O)C1=CC(F)=C(I)C=C1 M48205 [1,1,0,0,0,0|2,0,0]=4 622 B12R1.367 COC(=O)C1=CC(F)=C(N)C=C1 M48969 [1,1,0,0,0,0|2,0,0]=4 623 B12R1.367 COC(=O)C1=CC(F)=C(O)C=C1 M48682 [1,1,0,0,0,0|1,0,0]=3 624 B12R1.367 COC(=O)C1=CC(I)=C(C)C=C1 M51961 [1,1,0,0,0,0|2,0,0]=4 625 B12R1.367 COC(=O)C1=CC(I)=C(Cl)C=C1 M63038 [1,1,0,0,0,0|2,0,0]=4 626 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 M37851 [1,1,0,0,0,0|2,0,0]=4 627 B12R1.367 COC(=O)C1=CC(I)=C(O)C=C1 M48696 [1,1,0,0,0,0|1,0,0]=3 628 B12R1.367 COC(=O)C1=CC(N)=C(Br)C=C1 M48909 [1,1,0,0,0,0|2,0,0]=4 629 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 M9472 [1,1,0,0,0,0|2,0,0]=4 630 B12R1.367 COC(=O)C1=CC(N)=C(Cl)C=C1 M68943 [1,1,0,0,0,0|2,0,0]=4 631 B12R1.367 COC(=O)C1=CC(N)=C(F)C=C1 M48966 [1,1,0,0,0,0|2,0,0]=4 632 B12R1.367 COC(=O)C1=CC(N)=C(I)C=C1 M48978 [1,1,0,0,0,0|2,0,0]=4 633 B12R1.367 COC(=O)C1=CC(N)=C(N)C=C1 M46666 [1,1,0,0,0,0|2,0,0]=4 634 B12R1.367 COC(=O)C1=CC(N)=C(O)C=C1 M38011 [1,1,0,0,0,0|1,0,0]=3 635 B12R1.367 COC(=O)C1=CC(O)=C(Br)C=C1 M48646 [1,1,0,0,0,0|1,0,0]=3 636 B12R1.367 COC(=O)C1=CC(O)=C(Cl)C=C1 M48664 [1,1,0,0,0,0|1,0,0]=3 637 B12R1.367 COC(=O)C1=CC(O)=C(I)C=C1 M48695 [1,1,0,0,0,0|1,0,0]=3 638 B12R1.367 COC(=O)C1=CC(O)=C(N)C=C1 M38523 [1,1,0,0,0,0|1,0,0]=3 639 B12R1.367 COC(=O)C1=CN(C)C(=O)C=C1 M1648 [1,1,0,0,0,0|1,0,1]=4 640 B12R1.367 COC(=O)C1=CN=C(Br)C(C)=C1 M37456 [1,1,0,0,0,0|2,0,0]=4 641 B12R1.367 COC(=O)C1=CN=C(Cl)C(C)=C1 M48949 [1,1,0,0,0,0|2,0,0]=4 642 B12R1.367 COC(=O)C1=CN=C(Cl)C(O)=C1 M39050 [1,1,0,0,0,0|2,0,0]=4 643 B12R1.367 COC(=O)C1=CN=C(N)C(C)=C1 M63585 [1,1,0,0,0,0|2,0,0]=4 644 B12R1.367 COC(=O)C1=CN=C(N)C(O)=C1 M46034 [1,1,0,0,0,0|2,0,0]=4 645 B12R1.367 COC(=O)C1=CNC(=O)C(O)=C1 M19066 [1,1,0,0,0,0|1,0,1]=4 646 B12R1.367 COC(=O)C1=NC(C)=C(F)C=C1 M29575 [1,1,0,0,0,0|2,0,0]=4 647 B12R1.367 COC(=O)C1=NC(O)=C(O)C=C1 M7768 [1,1,0,0,0,0|1,0,0]=3 648 B12R1.367 COC(=O)C1=NC=C(N)C(C)=C1 M8118 [1,1,0,0,0,0|2,0,0]=4 649 B12R1.367 COC(=O)C1=NC=C(O)C(O)=C1 D7769 [1,1,0,0,0,0|1,0,0]=3 650 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 C39498 [1,1,0,0,0,0|1,0,0]=3 651 B12R1.893 CC(=O)C1=C(N)C(C)=C(O)C=C1 A65596 [1,1,0,0,0,0|1,0,0]=3 652 B12R1.893 CC1=C(Br)C=CC(C(=O)O)=C1F B48149 [1,1,0,0,0,0|1,0,0]=3 653 B12R1.893 CC1=C(Br)C=CC(C(=O)O)=C1N A48927 [1,1,0,0,0,0|1,0,0]=3 654 B12R1.893 CC1=C(C(=O)O)C=CC(F)=C1F D48197 [1,1,0,0,0,0|2,0,0]=4 655 B12R1.893 CC1=C(C)C(I)=C(C(=O)O)C=C1 K51965 [1,1,0,0,0,0|1,0,0]=3 656 B12R1.893 CC1=C(C)C(N)=C(C(=O)O)C=C1 A50064 [1,1,0,0,0,0|1,0,0]=3 657 B12R1.893 CC1=C(Cl)C=CC(C(=O)O)=C1Cl D38773 [1,1,0,0,0,0|1,0,0]=3 658 B12R1.893 CC1=C(Cl)C=CC(C(=O)O)=C1F C38357 [1,1,0,0,0,0|1,0,0]=3 659 B12R1.893 CC1=C(F)C=CC(C(=O)O)=C1F D48192 [1,1,0,0,0,0|1,0,0]=3 660 B12R1.893 CC1=C(F)C=CC(C(=O)O)=C1N A48977 [1,1,0,0,0,0|1,0,0]=3 661 B12R1.893 CC1=C(N)C=CC(C(=O)O)=C1C A50066 [1,1,0,0,0,0|1,0,0]=3 662 B12R1.893 CC1=C(N)C=CC(C(=O)O)=C1F A63436 [1,1,0,0,0,0|1,0,0]=3 663 B12R1.893 CC1=C(O)C=CC([N+](=O)[O-])=C1C D49309 [1,1,0,0,0,0|1,0,1]=4 664 B12R1.893 CC1=CC=C(C(=O)O)C(F)=C1F D48191 [1,1,0,0,0,0|2,0,0]=4 665 B12R1.893 NC1=C(C(=O)O)C=CC(Br)=C1F A31092 [1,1,0,0,0,0|2,0,0]=4 666 B12R1.893 NC1=C(Cl)C(Cl)=CC=C1C(=O)O A44960 [1,1,0,0,0,0|2,0,0]=4 667 B12R1.893 NC1=C(F)C(F)=CC=C1C(=O)O A44985 [1,1,0,0,0,0|2,0,0]=4 668 B12R1.893 NC1=CC=C(C(=O)O)C(Cl)=C1Cl A44963 [1,1,0,0,0,0|2,0,0]=4 669 B12R1.893 NC1=CC=C(C(=O)O)C(F)=C1F A44990 [1,1,0,0,0,0|2,0,0]=4 670 B12R1.893 O=C(O)C1=C(F)C(Cl)=C(Br)C=C1 B63442 [1,1,0,0,0,0|2,0,0]=4 671 B12R1.893 O=C(O)C1=C(F)C(F)=C(Br)C=C1 B69535 [1,1,0,0,0,0|2,0,0]=4 672 B12R1.893 O=C(O)C1=C(F)C(F)=C(Cl)C=C1 C44215 [1,1,0,0,0,0|2,0,0]=4 673 B12R1.893 O=C(O)C1=C(F)C(F)=C(I)C=C1 D44219 [1,1,0,0,0,0|2,0,0]=4 674 B12R1.893 O=C(O)C1=CC=C(F)C(Cl)=C1Cl D44204 [1,1,0,0,0,0|2,0,0]=4 675 B12R1.893 O=C(O)C1=CC=C(F)C(Cl)=C1F C44213 [1,1,0,0,0,0|2,0,0]=4 676 B12R1.893 O=C(O)C1=CC=C(F)C(F)=C1Br B44196 [1,1,0,0,0,0|2,0,0]=4 677 B12R1.893 O=C(O)C1=CC=C(F)C(F)=C1F T60789 [1,1,0,0,0,0|2,0,0]=4 678 B12R1.893 O=C(O)C1=CC=C(F)C(F)=C1O D44626 [1,1,0,0,0,0|2,0,0]=4 679 B12R1.893 O=C(O)C1=CC=C(O)C(O)=C1Cl C45131 [1,1,0,0,0,0|0,0,0]=2 680 B12R1.1005 CC1=C(Cl)C=C(C(=O)O)C=C1Cl D48162 [1,1,0,0,0,0|2,0,0]=4 681 B12R1.1005 CC1=C(N)C=C(C(=O)O)C=C1N D46675 [1,1,0,0,0,0|2,0,0]=4 682 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1Br B63456 [1,1,0,0,0,0|1,0,0]=3 683 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1N A69197 [1,1,0,0,0,0|1,0,0]=3 684 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1O H49927 [1,1,0,0,0,0|0,0,0]=2 685 B12R1.1005 CC1=CC(C(=O)O)=CN(C)C1=O D49343 [1,1,0,0,0,0|1,0,1]=4 686 B12R1.1005 CC1=CC(C(N)=O)=CC(C)=C1I K66951 [1,1,0,0,0,0|2,0,0]=4 687 B12R1.1005 CC1=CC([N+](=O)[O-])=CC(C)=C1O D49311 [1,1,0,0,0,0|1,0,1]=4 688 B12R1.1005 NC1=C(Br)C=C(C(=O)O)C=C1Br A44933 [1,1,0,0,0,0|2,0,0]=4 689 B12R1.1005 NC1=C(Br)C=C(C(=O)O)C=C1F A44949 [1,1,0,0,0,0|2,0,0]=4 690 B12R1.1005 NC1=C(F)C=C(C(=O)O)C=C1F A38829 [1,1,0,0,0,0|2,0,0]=4 691 B12R1.1005 O=C(O)C1=CC(Br)=C(F)C(F)=C1 B44200 [1,1,0,0,0,0|2,0,0]=4 692 B12R1.1005 O=C(O)C1=CC(Cl)=C(Br)C(Cl)=C1 B44193 [1,1,0,0,0,0|2,0,0]=4 693 B12R1.1005 O=C(O)C1=CC(Cl)=C(Cl)C(Cl)=C1 T44209 [1,1,0,0,0,0|2,0,0]=4 694 B12R1.1005 O=C(O)C1=CC(Cl)=C(F)C(F)=C1 C44214 [1,1,0,0,0,0|2,0,0]=4 695 B12R1.1005 O=C(O)C1=CC(Cl)=C(O)C(Cl)=C1 D44622 [1,1,0,0,0,0|1,0,0]=3 696 B12R1.1005 O=C(O)C1=CC(Cl)=C(O)C(O)=C1 C45132 [1,1,0,0,0,0|0,0,0]=2 697 B12R1.1005 O=C(O)C1=CC(F)=C(Br)C(F)=C1 B36911 [1,1,0,0,0,0|2,0,0]=4 698 B12R1.1005 O=C(O)C1=CC(F)=C(F)C(F)=C1 T28052 [1,1,0,0,0,0|2,0,0]=4 699 B12R1.1005 O=C(O)C1=CC(I)=C(O)C(I)=C1 H44628 [1,1,0,0,0,0|1,0,0]=3 700 B12R1.1005 O=C(O)C1=CC(O)=C(Br)C(O)=C1 B21679 [1,1,0,0,0,0|1,0,0]=3 701 B12R1.11 COC1=CC(B(O)O)=CC(Br)=C1 B61781 [1,1,0,0,0,0|1,0,1]=4 702 B12R1.11 COC1=CC(B(O)O)=CC(Cl)=C1 C46260 [1,1,0,0,0,0|1,0,1]=4 703 B12R1.11 COC1=CC(B(O)O)=CC(F)=C1 F2233 [1,1,0,0,0,0|1,0,1]=4 704 B12R1.11 COC1=CC(Br)=NC(C(=O)O)=C1 B45414 [1,1,0,0,0,0|1,0,0]=3 705 B12R1.11 COC1=CC(C(=O)O)=CC(Br)=C1 B48641 [1,1,0,0,0,0|0,0,0]=2 706 B12R1.11 COC1=CC(C(=O)O)=CC(Br)=N1 B38842 [1,1,0,0,0,0|1,0,0]=3 707 B12R1.11 COC1=CC(C(=O)O)=CC(Cl)=C1 C48656 [1,1,0,0,0,0|0,0,0]=2 708 B12R1.11 COC1=CC(C(=O)O)=CC(Cl)=N1 C45439 [1,1,0,0,0,0|1,0,0]=3 709 B12R1.11 COC1=CC(C(=O)O)=CC(F)=C1 F48674 [1,1,0,0,0,0|0,0,0]=2 710 B12R1.11 COC1=CC(C(=O)O)=CC(I)=C1 K48692 [1,1,0,0,0,0|0,0,0]=2 711 B12R1.11 COC1=CC(C)=CC(C(=O)O)=C1 M49914 [1,1,0,0,0,0|0,0,0]=2 712 B12R1.11 COC1=CC(C)=CC(C(C)=O)=C1 M52814 [1,1,0,0,0,0|1,0,0]=3 713 B12R1.11 COC1=CC(Cl)=NC(C(=O)O)=C1 C38896 [1,1,0,0,0,0|1,0,0]=3 714 B12R1.11 COC1=CC(N)=CC(C(=O)O)=C1 A49319 [1,1,0,0,0,0|0,0,0]=2 715 B12R1.11 COC1=CC(N)=CC(C(N)=O)=C1 A46663 [1,1,0,0,0,0|1,0,0]=3 716 B12R1.11 COC1=CC([N+](=O)[O-])=CC(Br)=C1 B45417 [1,1,0,0,0,0|1,0,1]=4 717 B12R1.11 N#CC1=CC(C(=O)O)=CC(Br)=C1 B47386 [1,1,0,0,0,0|2,0,0]=4 718 B12R1.11 N#CC1=CC(C(=O)O)=CC(F)=C1 C47402 [1,1,0,0,0,0|2,0,0]=4 719 B12R1.11 N#CC1=CC(C(=O)O)=CC(N)=C1 A61016 [1,1,0,0,0,0|2,0,0]=4 720 B12R1.11 O=C(O)C1=CC(CO)=CC(F)=C1 F48686 [1,1,0,0,0,0|2,0,0]=4 721 B12R1.258 CC(=O)C1=CC(C(C)C)=CC=C1 P54758 [1,1,0,0,0,0|2,0,0]=4 722 B12R1.258 CC(=O)C1=CC=CC(C(=O)O)=C1 X69118 [1,1,0,0,0,0|1,0,0]=3 723 B12R1.258 CC(=O)C1=CC=CC(C(=O)O)=N1 A65564 [1,1,0,0,0,0|2,0,0]=4 724 B12R1.258 CC(C)C1=CC=CC(C(=O)O)=N1 I12033 [1,1,0,0,0,0|2,0,0]=4 725 B12R1.258 CC(C)C1=NC=CC(C(=O)O)=C1 P50048 [1,1,0,0,0,0|2,0,0]=4 726 B12R1.258 CN(C)C1=CC=CC(C(=O)O)=C1 D69119 [1,1,0,0,0,0|1,0,0]=3 727 B12R1.258 C[C@H](O)C1=CC=CC(C(=O)O)=C1 H49912 [1,1,0,0,0,0|1,0,0]=3 728 B12R1.258 NC(=O)C1=CC=CC(C(=O)O)=C1 C48496 [1,1,0,0,0,0|2,0,0]=4 729 B12R1.258 O=C(O)C1=CC(B(O)O)=CC=C1 C2160 [1,1,0,0,0,0|2,0,0]=4 730 B12R1.258 O=C(O)C1=CC=CC([N+](=O)[O-])=C1 N69400 [1,1,0,0,0,0|2,0,0]=4 731 B12R1.279 CCOC1=CC(B(O)O)=CC=C1 E3080 [1,1,0,0,0,0|1,0,1]=4 732 B12R1.279 CCOC1=CC=CC(C(=O)O)=C1 E63619 [1,1,0,0,0,0|0,0,0]=2 733 B12R1.279 CCOC1=CC=CC([N+](=O)[O-])=C1 E49302 [1,1,0,0,0,0|1,0,1]=4 734 B12R1.279 COCC1=CC=CC(C(=O)O)=C1 M49910 [1,1,0,0,0,0|0,0,0]=2 735 B12R1.279 N#CCC1=CC=CC(C(=O)O)=C1 C51172 [1,1,0,0,0,0|1,0,1]=4 736 B12R1.279 O=C(O)C1=NC=CC(CCO)=C1 H49325 [1,1,0,0,0,0|2,0,0]=4 737 B12R1.435 C#CC1=CC=CC(C(=O)OC)=C1 M37583 [1,1,0,0,0,0|1,0,1]=4 738 B12R1.435 CCC(=O)C1=CC(OC)=CC=C1 M52788 [1,1,0,0,0,0|1,0,0]=3 739 B12R1.435 CCC1=CC=CC(C(=O)OC)=N1 M50036 [1,1,0,0,0,0|2,0,0]=4 740 B12R1.435 COC(=O)C1=CC(C#N)=CC=C1 M51165 [1,1,0,0,0,0|2,0,0]=4 741 B12R1.435 COC(=O)C1=CC(C=O)=CC=C1 M51624 [1,1,0,0,0,0|2,0,0]=4 742 B12R1.435 COC(=O)C1=CC(CN)=CC=C1 M52109 [1,1,0,0,0,0|2,0,0]=4 743 B12R1.435 COC(=O)C1=CC(CO)=CC=C1 M63250 [1,1,0,0,0,0|2,0,0]=4 744 B12R1.435 COC(=O)C1=CC(OC)=NC=C1 M12735 [1,1,0,0,0,0|1,0,0]=3 745 B12R1.435 COC(=O)C1=CC=CC(CBr)=C1 M51884 [1,1,0,0,0,0|2,0,0]=4 746 B12R1.435 COC(=O)C1=CN=CC(OC)=C1 M15226 [1,1,0,0,0,0|1,0,0]=3 747 B12R1.435 COC(=O)C1=NC(OC)=CC=C1 M49314 [1,1,0,0,0,0|1,0,0]=3 748 B12R1.435 COC(=O)C1=NC(OC)=CN=C1 M46038 [1,1,0,0,0,0|2,0,0]=4 749 B12R1.435 COC(=O)C1=NC=CC(OC)=C1 M49339 [1,1,0,0,0,0|1,0,0]=3 750 B12R1.435 COC1=CC([C@H](N)CO)=CC=C1 A37413 [1,1,0,0,0,0|1,0,1]=4 751 B12R1.435 COC1=CC([C@H](N)CO)=CC=C1 A52184 [1,1,0,0,0,0|1,0,1]=4 752 B12R1.435 COC1=CC=CC(C(=O)C=O)=C1 M61518 [1,1,0,0,0,0|0,0,1]=3 753 B12R1.435 COC1=CC=CC(C(=O)CBr)=C1 B38521 [1,1,0,0,0,0|1,0,0]=3 754 B12R1.436 COC1=CC=CC(S(=O)(=O)Cl)=C1 M45941 [1,1,0,0,0,0|1,0,1]=4 755 B12R1.440 COC1=C(Br)C(C(=O)O)=CC=C1 B32255 [1,1,0,0,0,0|0,0,0]=2 756 B12R1.440 COC1=C(Br)C([N+](=O)[O-])=CC=C1 B45419 [1,1,0,0,0,0|1,0,1]=4 757 B12R1.440 COC1=C(C)C(B(O)O)=CC=C1 M46947 [1,1,0,0,0,0|1,0,1]=4 758 B12R1.440 COC1=C(Cl)C(B(O)O)=CC=C1 C25720 [1,1,0,0,0,0|1,0,1]=4 759 B12R1.440 COC1=C(Cl)C(C(=O)O)=CC=C1 C68934 [1,1,0,0,0,0|0,0,0]=2 760 B12R1.440 COC1=C(Cl)C(C(=O)O)=CC=N1 C37427 [1,1,0,0,0,0|1,0,0]=3 761 B12R1.440 COC1=C(Cl)C([N+](=O)[O-])=CC=C1 C15637 [1,1,0,0,0,0|1,0,1]=4 762 B12R1.440 COC1=C(F)C(B(O)O)=CC=C1 F3220 [1,1,0,0,0,0|1,0,1]=4 763 B12R1.440 COC1=C(F)C(C(=O)O)=CC=C1 F37044 [1,1,0,0,0,0|0,0,0]=2 764 B12R1.440 COC1=C(O)C(C(=O)O)=NC=C1 H63871 [1,1,0,0,0,0|1,0,0]=3 765 B12R1.440 COC1=CC=CC(C(=O)O)=C1C M39537 [1,1,0,0,0,0|0,0,0]=2 766 B12R1.440 COC1=CC=CC(C(=O)O)=C1N A10799 [1,1,0,0,0,0|0,0,0]=2 767 B12R1.440 COC1=CC=CC(C(=O)O)=C1O M69038 [1,1,0,0,0,0|0,0,0]=2 768 B12R1.440 COC1=CC=CC(C(C)=O)=C1N A50070 [1,1,0,0,0,0|1,0,0]=3 769 B12R1.440 COC1=CC=CC(C(C)=O)=C1O H11176 [1,1,0,0,0,0|1,0,0]=3 770 B12R1.440 COC1=CC=CC([N+](=O)[O-])=C1C M15641 [1,1,0,0,0,0|1,0,1]=4 771 B12R1.440 COC1=CC=CC([N+](=O)[O-])=C1N M37941 [1,1,0,0,0,0|1,0,1]=4 772 B12R1.440 COC1=CC=CC([N+](=O)[O-])=C1O M45856 [1,1,0,0,0,0|1,0,1]=4 773 B12R1.440 COC1=NC=CC(C(=O)O)=C1C M49334 [1,1,0,0,0,0|1,0,0]=3 774 B12R1.440 COC1=NC=CC(C(=O)O)=C1N A69509 [1,1,0,0,0,0|1,0,0]=3 775 B12R1.440 N#CC1=C(Cl)C(C(=O)O)=CC=C1 C47392 [1,1,0,0,0,0|2,0,0]=4 776 B12R1.440 N#CC1=C(F)C(C(=O)O)=CC=C1 C36790 [1,1,0,0,0,0|2,0,0]=4 777 B12R1.440 O=CC1=CC=CC(C(=O)O)=C1F F63119 [1,1,0,0,0,0|2,0,0]=4 778 B12R1.440 O=CC1=CC=CC(C(=O)O)=C1O F64756 [1,1,0,0,0,0|2,0,0]=4 779 B12R1.453 CCC1=CC(C(=O)O)=C(N)C=C1 A50037 [1,1,0,0,0,0|1,0,0]=3 780 B12R1.453 COC1=CC(B(O)O)=C(Br)C=C1 B45952 [1,1,0,0,0,0|1,0,1]=4 781 B12R1.453 COC1=CC(B(O)O)=C(C)C=C1 M46950 [1,1,0,0,0,0|1,0,1]=4 782 B12R1.453 COC1=CC(B(O)O)=C(Cl)C=C1 C46259 [1,1,0,0,0,0|1,0,1]=4 783 B12R1.453 COC1=CC(B(O)O)=C(F)C=C1 F3230 [1,1,0,0,0,0|1,0,1]=4 784 B12R1.453 COC1=CC(C(=O)O)=C(Br)C=C1 B39497 [1,1,0,0,0,0|0,0,0]=2 785 B12R1.453 COC1=CC(C(=O)O)=C(C)C=C1 M37945 [1,1,0,0,0,0|0,0,0]=2 786 B12R1.453 COC1=CC(C(=O)O)=C(Cl)C=C1 C48654 [1,1,0,0,0,0|0,0,0]=2 787 B12R1.453 COC1=CC(C(=O)O)=C(F)C=C1 F48671 [1,1,0,0,0,0|0,0,0]=2 788 B12R1.453 COC1=CC(C(=O)O)=C(F)C=N1 F45452 [1,1,0,0,0,0|1,0,0]=3 789 B12R1.453 COC1=CC(C(=O)O)=C(I)C=C1 K48690 [1,1,0,0,0,0|0,0,0]=2 790 B12R1.453 COC1=CC(C(=O)O)=C(N)C=N1 A12852 [1,1,0,0,0,0|1,0,0]=3 791 B12R1.453 COC1=CC(C(C)=O)=C(Br)C=C1 B51903 [1,1,0,0,0,0|1,0,0]=3 792 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 H49921 [1,1,0,0,0,0|1,0,0]=3 793 B12R1.453 COC1=CC(C(N)=O)=C(N)C=C1 A46662 [1,1,0,0,0,0|1,0,0]=3 794 B12R1.453 COC1=CC([N+](=O)[O-])=C(Br)C=C1 B45418 [1,1,0,0,0,0|1,0,1]=4 795 B12R1.453 COC1=CC([N+](=O)[O-])=C(C)C=C1 M49303 [1,1,0,0,0,0|1,0,1]=4 796 B12R1.453 COC1=CC([N+](=O)[O-])=C(F)C=C1 F45450 [1,1,0,0,0,0|1,0,1]=4 797 B12R1.453 COC1=CC([N+](=O)[O-])=C(I)C=C1 K45456 [1,1,0,0,0,0|1,0,1]=4 798 B12R1.453 COC1=CC([N+](=O)[O-])=C(O)C=C1 M45857 [1,1,0,0,0,0|1,0,1]=4 799 B12R1.453 COC1=CC=C(N)C(C(=O)O)=N1 A36939 [1,1,0,0,0,0|1,0,0]=3 800 B12R1.453 COC1=CN=C(Cl)C(C(=O)O)=C1 C11817 [1,1,0,0,0,0|1,0,0]=3 801 B12R1.453 COC1=NC(C(=O)O)=C(Br)C=C1 B45408 [1,1,0,0,0,0|1,0,0]=3 802 B12R1.453 N#CC1=CC(C(=O)O)=C(Br)C=C1 B47385 [1,1,0,0,0,0|2,0,0]=4 803 B12R1.453 N#CC1=CC(C(=O)O)=C(Cl)C=C1 C47393 [1,1,0,0,0,0|2,0,0]=4 804 B12R1.453 N#CC1=CC(C(=O)O)=C(F)C=C1 C69556 [1,1,0,0,0,0|2,0,0]=4 805 B12R1.453 N#CC1=CC(C(=O)O)=C(N)C=C1 A47875 [1,1,0,0,0,0|2,0,0]=4 806 B12R1.453 O=C(O)C1=C(F)C=CC(CO)=C1 F67155 [1,1,0,0,0,0|2,0,0]=4 807 B12R1.453 O=CC1=CC(C(=O)O)=C(F)C=C1 F67123 [1,1,0,0,0,0|2,0,0]=4 808 B12R1.78 C=CC1=CC(OC)=C(OC)C=C1 D52795 [1,1,0,0,0,0|1,0,0]=3 809 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 E53088 [1,1,0,0,0,0|1,0,1]=4 810 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 D60501 [1,1,0,0,0,0|1,0,1]=4 811 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 V69274 [1,1,0,0,0,0|0,0,0]=2 812 B12R1.78 COC1=C(OC)C=C(CBr)C=C1 B38021 [1,1,0,0,0,0|1,0,1]=4 813 B12R1.78 COC1=C(OC)C=C(NN)C=C1 D67774 [1,1,0,0,0,0|2,0,0]=4 814 B12R1.270 CCOC1=C(Br)C=CC(C=O)=C1 B51879 [1,1,0,0,0,0|1,0,0]=3 815 B12R1.270 CCOC1=C(O)C=CC(C#N)=C1 E69849 [1,1,0,0,0,0|1,0,1]=4 816 B12R1.300 COC1=C(O)C(C)=CC(C#N)=C1 H15564 [1,1,0,0,0,0|1,0,1]=4 817 B12R1.300 COC1=C(O)C(O)=CC(C=O)=C1 D61559 [1,1,0,0,0,0|0,0,0]=2 818 B12R1.300 COC1=CC(C=O)=CC(Br)=C1O B67398 [1,1,0,0,0,0|0,0,0]=2 819 B12R1.300 COC1=CC(C=O)=CC(F)=C1O F48688 [1,1,0,0,0,0|0,0,0]=2 820 B12R1.449 COC1=C(Br)C=C(F)C(C=O)=C1 B62798 [1,1,0,0,0,0|1,0,0]=3 821 B12R1.449 COC1=CC(C=O)=C(Br)C=C1F B63346 [1,1,0,0,0,0|1,0,0]=3 822 B12R1.449 COC1=CC(C=O)=C(Br)C=C1O B48649 [1,1,0,0,0,0|0,0,0]=2 823 B12R1.654 COC1=C(Cl)C(C=O)=CC=C1O C64134 [1,1,0,0,0,0|0,0,0]=2 824 B12R1.766 COC1=C(C(=O)O)SC(Cl)=C1Cl D42329 [0,1,0,0,1,0|2,0,0]=4 825 B14R1.41 COC1=C(F)C=CC([C@H](N)C(=O)O)=C1 A52081 [0,1,0,0,0,1|1,0,0]=3 826 B14R1.705 CC(=O)NC1=CC(C(C)=O)=C(O)C=C1 A52591 [0,1,0,0,0,1|2,0,0]=4 827 B14R1.3651 COC1=C(OC)C=C(CC(=N)N)C=C1 D65815 [0,1,0,0,0,1|2,0,0]=4 828 B14R1.3651 COC1=C(OC)C=C(CC(N)=O)C=C1 D65019 [0,1,0,0,0,1|1,0,0]=3 829 B14R1.12 O=C(O)C1=CC(C(F)(F)F)=C(O)C=C1 H47814 [0,2,0,0,0,0|2,0,0]=4 830 B14R1.31 COC1=C(C(=O)O)C=C(C(=O)O)C=C1 M60818 [0,2,0,0,0,0|2,0,0]=4 831 B14R1.31 COC1=C([N+](=O)[O-])C=C(C(=O)O)C=C1 M39483 [0,2,0,0,0,0|2,0,0]=4 832 B14R1.31 O=C(O)C1=CC([N+](=O)[O-])=C(CO)C=C1 H48538 [0,2,0,0,0,0|2,0,0]=4 833 B14R1.706 COC(=O)C1=C(Br)C=CC(C(C)=O)=C1 M67773 [0,2,0,0,0,0|2,0,0]=4 834 B14R1.706 COC(=O)C1=C(N)C=CC(C(=O)O)=C1 A51849 [0,2,0,0,0,0|1,0,0]=3 835 B14R1.706 COC(=O)C1=C(O)C=CC(C(C)=O)=C1 M39591 [0,2,0,0,0,0|1,0,0]=3 836 B14R1.706 COC(=O)C1=C(O)C=CC([N+](=O)[O-])=C1 M48534 [0,2,0,0,0,0|1,0,1]=4 837 B14R1.748 COC(=O)C1=CC(C(=O)O)=C(O)C=C1 H51650 [0,2,0,0,0,0|2,0,0]=4 838 B14R1.748 COC(=O)C1=CC(C(C)=O)=C(N)C=C1 M52587 [0,2,0,0,0,0|2,0,0]=4 839 B14R1.748 COC(=O)C1=CC(C(C)=O)=C(O)C=C1 M52475 [0,2,0,0,0,0|1,0,0]=3 840 B14R1.6035 CC(=O)C1=C(O)C=C(O)C(C(C)C)=C1 D54803 [0,2,0,0,0,0|2,0,0]=4 841 B14R1.6035 CC(C)C1=CC(C(=O)O)=C(O)C=C1O D52857 [0,2,0,0,0,0|1,0,0]=3 842 B14R1.6035 O=C(O)C1=CC(C(=O)O)=C(O)C=C1O D38307 [0,2,0,0,0,0|2,0,0]=4 843 B14R1.6035 O=C(O)C1=CC([N+](=O)[O-])=C(O)C=C1O D45029 [0,2,0,0,0,0|2,0,0]=4 844 B14R1.358 COC(=O)C1=CC(Br)=C(O)C(C=O)=C1 M63904 [0,2,0,0,0,0|2,0,0]=4 845 B14R1.626 CCOC(=O)C1=CC(OC)=C(Br)C=C1 E52654 [0,2,0,0,0,0|1,0,0]=3 846 B14R1.626 CCOC(=O)C1=CC(OC)=C(N)C=C1 E52978 [0,2,0,0,0,0|1,0,0]=3 847 B14R1.1864 CCC(=O)C1=CC(OC)=C(OC)C=C1 D54796 [0,2,0,0,0,0|1,0,0]=3 848 B14R1.1864 COC(=O)C1=CC(C=O)=C(OC)C=C1 M60502 [0,2,0,0,0,0|2,0,0]=4 849 B14R1.1864 COC(=O)C1=CC(CBr)=C(OC)C=C1 M37767 [0,2,0,0,0,0|2,0,0]=4 850 B14R1.1864 COC(=O)C1=CC(OC)=C(C=O)C=C1 M52477 [0,2,0,0,0,0|0,0,1]=3 851 B14R1.1864 COC(=O)C1=CC(OC)=C(CBr)C=C1 M38545 [0,2,0,0,0,0|1,0,0]=3 852 B14R1.1864 COC(=O)C1=CC(OC)=C(OC)C=C1 M52852 [0,2,0,0,0,0|0,0,0]=2 853 B14R1.1864 COC1=C(OC)C=C(C(=O)CBr)C=C1 D0755 [0,2,0,0,0,0|1,0,0]=3 854 B14R1.2283 COC(=O)C1=CC(OC)=C(Br)C=C1N M37146 [0,2,0,0,0,0|1,0,0]=3 855 B14R1.2283 COC(=O)C1=CC(OC)=C(Cl)C=C1N M63916 [0,2,0,0,0,0|1,0,0]=3 856 B14R1.3654 COC1=C(OC)C=C(S(=O)(=O)Cl)C=C1 D49420 [0,2,0,0,0,0|1,0,1]=4 857 B14R1.350 COC1=C(OC)C(O)=CC([N+](=O)[O-])=C1 D49363 [0,2,0,0,0,0|1,0,1]=4 858 B14R1.362 COC1=CC(C(=O)O)=CC(OC)=C1Br B52006 [0,2,0,0,0,0|1,0,0]=3 859 B14R1.12249 COC1=C(F)C(F)=CC(C(=O)O)=C1F T62880 [0,2,0,0,0,0|1,0,0]=3 860 B14R1.441 CCOC1=C(OC)C=CC(C(C)=O)=C1 E54800 [0,2,0,0,0,0|1,0,0]=3 861 B14R1.441 CCOC1=C(OC)C=CC(C(N)=O)=C1 E69848 [0,2,0,0,0,0|1,0,0]=3 862 B14R1.5389 CCCC1=C(O)C=CC(C(C)=O)=C1O D65565 [0,2,0,0,0,0|2,0,0]=4 863 B14R1.1851 COC1=CC(Br)=C(C(=O)O)C=C1OC B68668 [0,2,0,0,0,0|0,0,0]=2 864 B14R1.1851 COC1=CC(C)=C(C(C)=O)C=C1OC D54801 [0,2,0,0,0,0|1,0,0]=3 865 B14R1.1851 COC1=CC(F)=C(C(=O)O)C=C1OC F52013 [0,2,0,0,0,0|0,0,0]=2 866 B14R1.1851 COC1=CC(N)=C(C(=O)O)C=C1OC A39544 [0,2,0,0,0,0|0,0,0]=2 867 B14R1.1851 COC1=CC(O)=C(C(=O)O)C=C1OC H36639 [0,2,0,0,0,0|0,0,0]=2 868 B14R1.1851 COC1=CC(O)=C(C(C)=O)C=C1OC H62405 [0,2,0,0,0,0|1,0,0]=3 869 B14R1.43 C=CC1=C(C(=O)O)C=CC(C(=O)O)=C1 V53816 [0,2,0,0,0,0|1,0,1]=4 870 B14R1.43 CNC1=C([N+](=O)[O-])C=CC(C(=O)O)=C1 M63303 [0,2,0,0,0,0|1,0,1]=4 871 B14R1.43 COC1=C(C(=O)O)C=CC(C(C)=O)=C1 A52470 [0,2,0,0,0,0|1,0,0]=3 872 B14R1.43 COC1=C([N+](=O)[O-])C=CC(C(=O)O)=C1 M48531 [0,2,0,0,0,0|0,0,1]=3 873 B14R1.43 COC1=C([N+](=O)[O-])C=CC(C(=O)O)=N1 M45260 [0,2,0,0,0,0|1,0,1]=4 874 B14R1.2023 COC1=C(OC)C(N)=C(C(=O)O)C=C1 A50107 [0,2,0,0,0,0|0,0,0]=2 875 B14R1.2023 COC1=C(OC)C(O)=C(C(=O)O)C=C1 H38333 [0,2,0,0,0,0|0,0,0]=2 876 B14R1.2023 COC1=CC=C(C(=O)O)C(Cl)=C1OC C52011 [0,2,0,0,0,0|0,0,0]=2 877 B12R1.283 COCC1=C(C(=O)O)C=CC=C1 M49909 [0,0,1,1,0,0|1,0,1]=4 878 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 H68558 [0,0,1,1,0,0|1,0,1]=4 879 B12R2.1384 O=C(O)C1=CC2=C(C=C1)CC2 B51559 [1,0,0,1,0,0|1,0,0]=3 880 B12R2.44 C#CC1=CC2=C(C=C1)OCO2 E50963 [1,0,0,1,0,0|1,0,1]=4 881 B12R2.44 N#CC1=CC2=C(C=C1)OCO2 M47716 [1,0,0,1,0,0|1,0,1]=4 882 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 K52409 [1,0,0,1,0,0|2,0,0]=4 883 B12R2.44 O=CC1=CC2=C(C=C1)N=CO2 B67798 [1,0,0,1,0,0|1,0,1]=4 884 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 B37163 [1,0,0,1,0,0|1,0,1]=4 885 B12R2.44 O=CC1=CC2=C(C=C1)OC=N2 B61014 [1,0,0,1,0,0|1,0,1]=4 886 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 D51558 [1,0,0,1,0,0|1,0,0]=3 887 B12R2.44 OCC1=CC2=C(C=C1)CCO2 D37247 [1,0,0,1,0,0|1,0,1]=4 888 B12R2.44 OCC1=CC2=C(C=C1)OCC2 D65568 [1,0,0,1,0,0|1,0,1]=4 889 B14R2.1008 O=C(Cl)OC1=CC2=C(C=C1)OCO2 B47823 [0,0,0,1,0,1|1,0,0]=3 890 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCC2 D65567 [0,0,0,1,0,1|1,0,0]=3 891 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCO2 B67866 [0,0,0,1,0,1|0,0,0]=2 892 B14R2.24358 CC1=CNC2=C1C=C(C(=O)O)C=C2 M24409 [0,1,0,1,0,0|2,0,0]=4 893 B14R2.24358 CN1C=CC2=C1C=C(C(=O)O)C=C2 M53940 [0,1,0,1,0,0|2,0,0]=4 894 B14R2.24358 CN1C=NC2=C1C=C(C(=O)O)C=C2 M24126 [0,1,0,1,0,0|2,0,0]=4 895 B14R2.24358 CN1N=CC2=C1C=C(C(=O)O)C=C2 M10311 [0,1,0,1,0,0|2,0,0]=4 896 B14R2.24358 O=C(O)C1=CC2=C(C=C1)CCC2=O X53810 [0,1,0,1,0,0|2,0,0]=4 897 B14R2.24358 O=C(O)C1=CC2=C(C=C1)COC2=O P23807 [0,1,0,1,0,0|2,0,0]=4 898 B14R2.966 COC(=O)C1=CC2=C(C=C1)CCO2 M61702 [0,1,0,1,0,0|1,0,0]=3 899 B14R2.966 COC(=O)C1=CC2=C(C=C1)NCC2 M52559 [0,1,0,1,0,0|2,0,0]=4 900 B14R2.966 COC(=O)C1=CC2=C(C=C1)OC=N2 M51216 [0,1,0,1,0,0|1,0,1]=4 901 B14R2.966 COC(=O)C1=CC2=C(C=CO2)C=C1 M61626 [0,1,0,1,0,0|1,0,1]=4 902 B14R2.966 O=C(CBr)C1=CC2=C(C=C1)OCC2 B65081 [0,1,0,1,0,0|2,0,0]=4 903 B14R2.966 O=C(CCl)C1=CC2=C(C=C1)OCC2 C65548 [0,1,0,1,0,0|2,0,0]=4 904 B14R2.2167 COC1=C(F)C=C2CCC(=O)C2=C1 F54004 [0,1,0,1,0,0|2,0,0]=4 905 B14R2.601 CC1=CC2=C(C=C(C(=O)O)C=C2)N1 M25102 [0,1,0,1,0,0|2,0,0]=4 906 B14R2.601 CC1=CC2=C(C=CC(C(=O)O)=C2)N1 M23910 [0,1,0,1,0,0|2,0,0]=4 907 B14R2.601 CC1=NC2=C(C=C(C(=O)O)C=C2)O1 M32341 [0,1,0,1,0,0|1,0,0]=3 908 B14R2.601 CC1=NC2=C(C=CC(C(=O)O)=C2)O1 M51218 [0,1,0,1,0,0|1,0,0]=3 909 B14R2.601 CC1=NC2=C(C=CC(C(=O)O)=C2)S1 M51195 [0,1,0,1,0,0|1,1,0]=4 910 B14R2.601 CN1C=C2C=C(C(=O)O)C=CC2=N1 M10310 [0,1,0,1,0,0|2,0,0]=4 911 B14R2.601 CN1C=C2C=CC(C(=O)O)=CC2=N1 M0376 [0,1,0,1,0,0|2,0,0]=4 912 B14R2.601 O=C1NC2=C(C=C(C(=O)O)C=C2)O1 X47733 [0,1,0,1,0,0|1,0,1]=4 913 B14R2.781 CC(=O)C1=CC2=C(C=C1)OCCO2 D69218 [0,1,0,1,0,0|1,0,0]=3 914 B14R2.781 O=C(O)C1=CC2=C(C=C1)CCCO2 C60940 [0,1,0,1,0,0|1,0,0]=3 915 B14R2.781 O=C(O)C1=CC2=C(C=C1)CCNC2 T54112 [0,1,0,1,0,0|2,0,0]=4 916 B14R2.781 O=C(O)C1=CC2=C(C=C1)NCCC2 T52576 [0,1,0,1,0,0|2,0,0]=4 917 B14R2.781 O=C(O)C1=CC2=C(C=C1)NCCO2 D11868 [0,1,0,1,0,0|1,0,0]=3 918 B14R2.781 O=C(O)C1=CC2=C(C=C1)OCCO2 D51646 [0,1,0,1,0,0|0,0,0]=2 919 B14R2.781 OB(O)C1=CC2=C(C=C1)OCCO2 B1439 [0,1,0,1,0,0|1,0,1]=4 920 B14R2.8653 CC(=O)C1=C2OCOC2=C(Br)C=C1 B67276 [0,1,0,1,0,0|2,0,0]=4 921 B14R2.624 CC1=C([N+](=O)[O-])C=C2OCOC2=C1 M48524 [0,1,0,1,0,0|1,0,1]=4 922 B14R2.624 NC1=C(C(=O)O)C=C2OCOC2=C1 A48527 [0,1,0,1,0,0|0,0,0]=2 923 B14R2.624 O=C(O)C1=C(F)C=C2C=COC2=C1 F37578 [0,1,0,1,0,0|1,0,1]=4 924 B14R2.5719 O=C(O)C1=CC2=C(C=C1)C(=O)CC2 K67538 [0,1,0,1,0,0|1,0,1]=4 925 B14R2.5998 CC1=C(C(=O)O)C=CC2=C1OCO2 M67104 [0,1,0,1,0,0|0,0,0]=2 926 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 B42699 [1,0,0,0,1,0|2,0,0]=4 927 B10R1.58 CN1N=C(C(=O)O)C=C1O H3231 [1,0,0,0,1,0|2,0,0]=4 928 B10R1.194 CC1=C(C(=O)O)C=CN1C D46413 [1,0,0,0,1,0|2,0,0]=4 929 B10R1.194 CC1=CNC(C(=O)O)=C1C D0626 [1,0,0,0,1,0|2,0,0]=4 930 B10R1.194 CC1=CSC(C(=O)O)=C1C D46250 [1,0,0,0,1,0|2,0,0]=4 931 B10R1.194 CN1C(Br)=CC=C1C(=O)O B42855 [1,0,0,0,1,0|2,0,0]=4 932 B10R1.31 COC1=CN=C(C(=O)O)O1 M41003 [1,0,0,0,1,0|2,0,0]=4 933 B10R1.39 COC1=CSC=C1C(=O)O M42956 [1,0,0,0,1,0|1,0,0]=3 934 B12R1.438 COC1=CC(NC(=N)N)=CC=C1 M46874 [1,0,0,0,0,1|2,0,0]=4 935 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 M68843 [1,0,0,0,0,1|0,0,0]=2 936 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 M52801 [1,0,0,0,0,1|1,0,0]=3 937 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 A65096 [1,0,0,0,0,1|1,0,0]=3 938 B12R1.438 COC1=NC=CC(CC(=O)O)=C1 M49335 [1,0,0,0,0,1|1,0,0]=3 939 B12R1.438 N#CC1=CC=CC(CC(=O)O)=C1 C51174 [1,0,0,0,0,1|2,0,0]=4 940 B12R1.438 O=CC1=CC=CC(CC(=O)O)=C1 F51625 [1,0,0,0,0,1|2,0,0]=4 941 B12R1.57 CCC1=C(C(=O)O)C=CC(N)=C1 A50042 [0,0,0,0,1,1|2,0,0]=4 942 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=C1 B48642 [0,0,0,0,1,1|1,0,0]=3 943 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=N1 B45412 [0,0,0,0,1,1|1,0,0]=3 944 B12R1.57 COC1=C(C(=O)O)C=CC(C)=C1 M49919 [0,0,0,0,1,1|1,0,0]=3 945 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=C1 C48657 [0,0,0,0,1,1|1,0,0]=3 946 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=N1 C36979 [0,0,0,0,1,1|1,0,0]=3 947 B12R1.57 COC1=C(C(=O)O)C=CC(F)=C1 F48675 [0,0,0,0,1,1|1,0,0]=3 948 B12R1.57 COC1=C(C(=O)O)C=CC(N)=N1 A46029 [0,0,0,0,1,1|1,0,0]=3 949 B12R1.57 COC1=C(C(C)=O)C=CC(Br)=C1 B38809 [0,0,0,0,1,1|2,0,0]=4 950 B12R1.57 COC1=C(C(C)=O)C=CC(F)=C1 F51948 [0,0,0,0,1,1|2,0,0]=4 951 B12R1.57 COC1=C(C(C)=O)C=CC(N)=C1 A50071 [0,0,0,0,1,1|2,0,0]=4 952 B12R1.57 COC1=C([N+](=O)[O-])C=CC(O)=C1 M27966 [0,0,0,0,1,1|1,0,1]=4 953 B12R1.57 COC1=CC(Br)=CN=C1C(=O)O B45410 [0,0,0,0,1,1|2,0,0]=4 954 B12R1.57 COC1=CC(Br)=NC=C1C(=O)O B37276 [0,0,0,0,1,1|2,0,0]=4 955 B12R1.57 COC1=CC(Cl)=CN=C1C(=O)O C29584 [0,0,0,0,1,1|2,0,0]=4 956 B12R1.57 COC1=CC(Cl)=NC=C1C(=O)O C45436 [0,0,0,0,1,1|2,0,0]=4 957 B12R1.87 CCC1=C(Br)C=CC=C1C(=O)O B51875 [0,0,0,0,1,1|2,0,0]=4 958 B12R1.87 CNC1=C(F)C=CC=C1C(=O)O F48976 [0,0,0,0,1,1|2,0,0]=4 959 B12R1.87 COC1=C(Br)C=CC=C1C(=O)O B48639 [0,0,0,0,1,1|1,0,0]=3 960 B12R1.87 COC1=C(Br)C=CC=C1C(C)=O B51905 [0,0,0,0,1,1|2,0,0]=4 961 B12R1.87 COC1=C(Br)C=CC=C1C(N)=O B48905 [0,0,0,0,1,1|2,0,0]=4 962 B12R1.87 COC1=C(Cl)C=CC=C1C(C)=O C51929 [0,0,0,0,1,1|2,0,0]=4 963 B12R1.87 COC1=C(F)C=CC=C1C(=O)O F48673 [0,0,0,0,1,1|1,0,0]=3 964 B12R1.87 COC1=C(F)C=CC=C1C(C)=O F51947 [0,0,0,0,1,1|2,0,0]=4