0 B12R1.256 CC(=O)C1=CC=C(C=C1)B(O)O Z1203161683 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)O Z335574216 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C Z56963407 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C Z56978035 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.256 CC(=O)C1=CC=C(C=C1)S(=O)C Z1276746404 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.256 CC(=O)C1=CC=C(C=C1)[N+](=O)[O-] Z104473102 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.256 CC(=O)C1=CN=C(C=C1)C(=O)O Z4443002849 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.256 CC(=O)C1=NN=C(C=C1)C(=O)O Z4430313618 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.256 CC(C)C1=CC=C(C=C1)B(O)O Z336080004 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.256 CC(C)C1=CC=C(C=C1)C(=N)N Z1184858180 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)N Z33546608 [0,0,0,0,0,0|2,0,0]=2 11 B12R1.256 CC(C)C1=CC=C(C=C1)C(=S)N Z55993078 [0,0,0,0,0,0|2,1,0]=3 12 B12R1.256 CC(C)C1=CC=C(C=C1)C(C)N Z56347268 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.256 CC(C)C1=CC=C(C=C1)C(C)O Z335245028 [0,0,0,0,0,0|2,0,1]=3 14 B12R1.256 CC(C)C1=CC=C(C=C1)[C@@H](C)N Z1688198407 [0,0,0,0,0,0|3,0,1]=4 15 B12R1.256 CC(C)C1=CN=C(C=C1)C(=O)O Z2168282673 [0,0,0,0,0,0|2,0,0]=2 16 B12R1.256 CC(C)C1=NC=C(C=C1)C(=O)O Z1474026485 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.256 CC(O)C1=CC=C(C=C1)B(O)O Z1255489462 [0,0,0,0,0,0|3,0,1]=4 18 B12R1.256 CC(O)C1=CC=C(C=C1)C(=O)O Z1198155605 [0,0,0,0,0,0|2,0,0]=2 19 B12R1.256 CC(O)C1=CC=C(C=C1)N(C)C Z228586338 [0,0,0,0,0,0|1,0,1]=2 20 B12R1.256 CC(O)C1=CC=C(C=C1)[N+](=O)[O-] Z228586132 [0,0,0,0,0,0|3,0,1]=4 21 B12R1.256 CC(O)C1=NC=C(C=C1)N(C)C Z1575334500 [0,0,0,0,0,0|2,0,1]=3 22 B12R1.256 CN(C)C1=CC=C(C=C1)C(=N)N Z2327588276 [0,0,0,0,0,0|2,0,0]=2 23 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)N Z33546672 [0,0,0,0,0,0|1,0,0]=1 24 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)O Z104476964 [0,0,0,0,0,0|0,0,0]=0 25 B12R1.256 CN(C)C1=CN=C(C=C1)C(=O)O Z1262513670 [0,0,0,0,0,0|1,0,0]=1 26 B12R1.256 CN(C)C1=NC=C(C=C1)C(=O)O Z330799458 [0,0,0,0,0,0|1,0,0]=1 27 B12R1.256 CN(C)C1=NC=C(C=C1)[N+](=O)[O-] Z57727175 [0,0,0,0,0,0|2,0,1]=3 28 B12R1.256 CN(C)C1=NC=C(C=N1)B(O)O Z3344488925 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.256 CN(C)C1=NC=C(C=N1)C(=O)O Z4499470264 [0,0,0,0,0,0|2,0,0]=2 30 B12R1.256 CN(C)C1=NC=C(N=C1)C(=O)O Z1217204576 [0,0,0,0,0,0|2,0,0]=2 31 B12R1.256 CN(C)C1=NN=C(C=C1)C(=O)O Z502339072 [0,0,0,0,0,0|2,0,0]=2 32 B12R1.256 CS(=O)C1=CC=C(C=C1)C(=O)O Z119989874 [0,0,0,0,0,0|2,0,0]=2 33 B12R1.256 N=C(N)C1=CC=C(C=C1)C(=O)O Z1741969401 [0,0,0,0,0,0|3,0,0]=3 34 B12R1.256 NC(=O)C1=CC=C(C=C1)B(O)O Z1171974289 [0,0,0,0,0,0|4,0,0]=4 35 B12R1.256 NC(=O)C1=CC=C(C=C1)C(=O)O Z147646808 [0,0,0,0,0,0|3,0,0]=3 36 B12R1.256 NC(=O)C1=CC=C(C=C1)C(=S)N Z234895461 [0,0,0,0,0,0|4,0,0]=4 37 B12R1.256 NC(=O)C1=CN=C(C=C1)C(=O)O Z425333840 [0,0,0,0,0,0|4,0,0]=4 38 B12R1.256 NC(=O)C1=NC=C(C=C1)C(=O)O Z316122632 [0,0,0,0,0,0|4,0,0]=4 39 B12R1.256 NC(=S)C1=CC=C(C=C1)C(=O)O Z235362627 [0,0,0,0,0,0|3,0,0]=3 40 B12R1.256 O=C(O)C1=CC=C(C=C1)B(O)O Z285136920 [0,0,0,0,0,0|3,0,0]=3 41 B12R1.256 O=C(O)C1=CC=C(C=C1)C(=O)O Z57127536 [0,0,0,0,0,0|3,0,0]=3 42 B12R1.256 O=C(O)C1=CC=C(C=C1)C(F)F Z995167754 [0,0,0,0,0,0|3,0,0]=3 43 B12R1.256 O=C(O)C1=CC=C(C=C1)[N+](=O)[O-] Z57127484 [0,0,0,0,0,0|2,0,1]=3 44 B12R1.256 O=C(O)C1=CN=C(C=C1)C(=O)O Z104474820 [0,0,0,0,0,0|4,0,0]=4 45 B12R1.256 O=C(O)C1=CN=C(C=C1)C(F)F Z1255375051 [0,0,0,0,0,0|4,0,0]=4 46 B12R1.256 O=[N+]([O-])C1=CC=C(C=C1)S(=O)O Z56755568 [0,0,0,0,0,0|3,0,1]=4 47 B11R1.3 C#CC1=CC=C(C=C1)C(=O)N Z1203579154 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.3 C#CC1=CN=C(C=C1)C(=O)O Z1069125932 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.3 C=CC1=CC=C(C=C1)C(=O)N Z1203578780 [1,0,0,0,0,0|2,0,1]=4 50 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N Z56820417 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.3 CC(=O)C1=CC=C(C=C1)CN Z3018118044 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.3 CC(C)C1=CC=C(C=C1)C#N Z56964596 [1,0,0,0,0,0|2,0,1]=4 53 B11R1.3 CC(C)C1=CC=C(C=C1)C=O Z104476006 [1,0,0,0,0,0|1,0,0]=2 54 B11R1.3 CC(C)C1=CC=C(C=C1)CN Z54845985 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.3 CC(C)C1=CC=C(C=C1)CO Z56347221 [1,0,0,0,0,0|1,0,1]=3 56 B11R1.3 CC(C)C1=CN=C(N=C1)C=O Z1347205914 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.3 CC(C)C1=NC=C(C=C1)C=O Z1255402249 [1,0,0,0,0,0|2,0,0]=3 58 B11R1.3 CC(C)C1=NC=C(C=N1)C=O Z274575086 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.3 CCC1=CC=C(C=C1)B(O)O Z336079952 [1,0,0,0,0,0|2,0,1]=4 60 B11R1.3 CCC1=CC=C(C=C1)C(=N)N Z1268152427 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.3 CCC1=CC=C(C=C1)C(=O)O Z104478474 [1,0,0,0,0,0|1,0,0]=2 62 B11R1.3 CCC1=CC=C(C=C1)C(=S)N Z57989304 [1,0,0,0,0,0|2,1,0]=4 63 B11R1.3 CCC1=CN=C(C=C1)C(=O)O Z3693286572 [1,0,0,0,0,0|2,0,0]=3 64 B11R1.3 CCC1=NC=C(C=C1)C(=O)O Z5589439234 [1,0,0,0,0,0|2,0,0]=3 65 B11R1.3 CN(C)C1=CC=C(C=C1)C#N Z57756572 [1,0,0,0,0,0|1,0,1]=3 66 B11R1.3 CN(C)C1=CC=C(C=C1)C=O Z57127528 [1,0,0,0,0,0|0,0,0]=1 67 B11R1.3 CN(C)C1=CC=C(C=C1)CN Z90122421 [1,0,0,0,0,0|1,0,1]=3 68 B11R1.3 CN(C)C1=CC=C(C=C1)CO Z228585234 [1,0,0,0,0,0|0,0,1]=2 69 B11R1.3 CN(C)C1=CN=C(C=C1)C#N Z1255430701 [1,0,0,0,0,0|2,0,1]=4 70 B11R1.3 CN(C)C1=CN=C(C=C1)C=O Z1255434290 [1,0,0,0,0,0|1,0,0]=2 71 B11R1.3 CN(C)C1=NC=C(C=C1)C#N Z281802052 [1,0,0,0,0,0|2,0,1]=4 72 B11R1.3 CN(C)C1=NC=C(C=C1)C=O Z1162448666 [1,0,0,0,0,0|1,0,0]=2 73 B11R1.3 CN(C)C1=NC=C(C=C1)CN Z270758784 [1,0,0,0,0,0|2,0,1]=4 74 B11R1.3 CN(C)C1=NC=C(C=N1)C=O Z274575566 [1,0,0,0,0,0|2,0,0]=3 75 B11R1.3 CN(C)C1=NC=C(N=C1)C=O Z1198277952 [1,0,0,0,0,0|2,0,0]=3 76 B11R1.3 CNC1=CC=C(C=C1)C(=N)N Z1815149179 [1,0,0,0,0,0|2,0,0]=3 77 B11R1.3 CNC1=CC=C(C=C1)C(=O)C Z1082871512 [1,0,0,0,0,0|1,0,0]=2 78 B11R1.3 CNC1=CC=C(C=C1)C(=O)N Z744754554 [1,0,0,0,0,0|1,0,0]=2 79 B11R1.3 CNC1=CC=C(C=C1)C(=O)O Z727574068 [1,0,0,0,0,0|0,0,0]=1 80 B11R1.3 CNC1=CC=C(C=C1)C(C)C Z1431904364 [1,0,0,0,0,0|2,0,1]=4 81 B11R1.3 CNC1=CN=C(C=C1)C(=O)O Z1498958162 [1,0,0,0,0,0|1,0,0]=2 82 B11R1.3 CNC1=CN=C(C=C1)[N+](=O)[O-] Z31222773 [1,0,0,0,0,0|2,0,1]=4 83 B11R1.3 CNC1=NC=C(C=C1)B(O)O Z3235039200 [1,0,0,0,0,0|2,0,1]=4 84 B11R1.3 CNC1=NC=C(C=C1)C(=O)N Z960186538 [1,0,0,0,0,0|2,0,0]=3 85 B11R1.3 CNC1=NC=C(C=C1)C(=O)O Z330796292 [1,0,0,0,0,0|1,0,0]=2 86 B11R1.3 CNC1=NC=C(C=C1)[N+](=O)[O-] Z238434802 [1,0,0,0,0,0|2,0,1]=4 87 B11R1.3 CNC1=NC=C(N=C1)C(=O)O Z1217204103 [1,0,0,0,0,0|2,0,0]=3 88 B11R1.3 COC1=CC=C(C=C1)B(O)O Z336079536 [1,0,0,0,0,0|2,0,1]=4 89 B11R1.3 COC1=CC=C(C=C1)C(=N)N Z228583094 [1,0,0,0,0,0|3,0,0]=4 90 B11R1.3 COC1=CC=C(C=C1)C(=O)C Z53832960 [1,0,0,0,0,0|2,0,0]=3 91 B11R1.3 COC1=CC=C(C=C1)C(=O)N Z33546492 [1,0,0,0,0,0|2,0,0]=3 92 B11R1.3 COC1=CC=C(C=C1)C(=O)O Z56931884 [1,0,0,0,0,0|1,0,0]=2 93 B11R1.3 COC1=CC=C(C=C1)C(=S)N Z56964598 [1,0,0,0,0,0|2,1,0]=4 94 B11R1.3 COC1=CC=C(C=C1)C(C)O Z335245134 [1,0,0,0,0,0|2,0,1]=4 95 B11R1.3 COC1=CC=C(C=C1)N(C)C Z57243982 [1,0,0,0,0,0|2,0,0]=3 96 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O Z360055358 [1,0,0,0,0,0|2,0,1]=4 97 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O Z360055354 [1,0,0,0,0,0|2,0,1]=4 98 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] Z31131411 [1,0,0,0,0,0|2,0,1]=4 99 B11R1.3 COC1=CN=C(N=C1)C(=O)O Z1255462743 [1,0,0,0,0,0|3,0,0]=4 100 B11R1.3 COC1=NC=C(C=C1)C(=O)O Z135188086 [1,0,0,0,0,0|2,0,0]=3 101 B11R1.3 COC1=NC=C(C=N1)C(=O)O Z274574982 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.3 COC1=NN=C(C=C1)C(=O)O Z502287048 [1,0,0,0,0,0|3,0,0]=4 103 B11R1.3 CS(=O)C1=CC=C(C=C1)C=O Z1184878668 [1,0,0,0,0,0|2,0,0]=3 104 B11R1.3 CSC1=CC=C(C=C1)B(O)O Z381540922 [1,0,0,0,0,0|2,0,1]=4 105 B11R1.3 CSC1=CC=C(C=C1)C(=N)N Z1267881768 [1,0,0,0,0,0|3,0,0]=4 106 B11R1.3 CSC1=CC=C(C=C1)C(=O)C Z57036277 [1,0,0,0,0,0|2,0,0]=3 107 B11R1.3 CSC1=CC=C(C=C1)C(=O)O Z57989066 [1,0,0,0,0,0|1,0,0]=2 108 B11R1.3 CSC1=NC=C(C=C1)C(=O)O Z732206884 [1,0,0,0,0,0|2,0,0]=3 109 B11R1.3 N#CC1=CC=C(C=C1)C(=O)N Z33546655 [1,0,0,0,0,0|3,0,0]=4 110 B11R1.3 N#CC1=CC=C(C=C1)C(=O)O Z104476114 [1,0,0,0,0,0|2,0,0]=3 111 B11R1.3 N#CC1=CN=C(C=C1)C(=O)O Z1148282290 [1,0,0,0,0,0|3,0,0]=4 112 B11R1.3 N#CC1=NC=C(C=C1)C(=O)O Z1079167854 [1,0,0,0,0,0|3,0,0]=4 113 B11R1.3 NC(=O)C1=CC=C(C=C1)C=O Z316909626 [1,0,0,0,0,0|3,0,0]=4 114 B11R1.3 NC(=O)C1=CC=C(C=C1)CCl Z154669306 [1,0,0,0,0,0|3,0,0]=4 115 B11R1.3 NC(=O)C1=CC=C(C=C1)CO Z33545420 [1,0,0,0,0,0|3,0,0]=4 116 B11R1.3 NCC1=CC=C(C=C1)C(=O)N Z57036329 [1,0,0,0,0,0|3,0,0]=4 117 B11R1.3 NCC1=CN=C(C=C1)C(=O)O Z2887729927 [1,0,0,0,0,0|3,0,0]=4 118 B11R1.3 NCC1=NC=C(C=C1)C(=O)O Z2901372939 [1,0,0,0,0,0|3,0,0]=4 119 B11R1.3 NNC1=CC=C(C=C1)C(=O)O Z56957167 [1,0,0,0,0,0|1,0,0]=2 120 B11R1.3 NNC1=NC=C(C=C1)C(=O)O Z955123478 [1,0,0,0,0,0|2,0,0]=3 121 B11R1.3 O=C(O)C1=CC=C(C=C1)CBr Z55993105 [1,0,0,0,0,0|2,0,0]=3 122 B11R1.3 O=C(O)C1=CC=C(C=C1)CCl Z111868896 [1,0,0,0,0,0|2,0,0]=3 123 B11R1.3 O=C(O)C1=CC=C(C=C1)CO Z56917404 [1,0,0,0,0,0|2,0,0]=3 124 B11R1.3 O=C(O)C1=CC=C(C=C1)CS Z57989315 [1,0,0,0,0,0|2,0,0]=3 125 B11R1.3 O=C(O)C1=NC=C(C=C1)CO Z3015401233 [1,0,0,0,0,0|3,0,0]=4 126 B11R1.3 O=CC1=CC=C(C=C1)B(O)O Z819251758 [1,0,0,0,0,0|3,0,0]=4 127 B11R1.3 O=CC1=CC=C(C=C1)C(=O)O Z104475878 [1,0,0,0,0,0|2,0,0]=3 128 B11R1.3 O=CC1=CC=C(C=C1)C(Cl)Cl Z1262488914 [1,0,0,0,0,0|3,0,0]=4 129 B11R1.3 O=CC1=CC=C(C=C1)C(F)F Z1216817922 [1,0,0,0,0,0|3,0,0]=4 130 B11R1.3 O=CC1=CC=C(C=C1)[N+](=O)[O-] Z57772464 [1,0,0,0,0,0|2,0,1]=4 131 B11R1.3 O=CC1=CN=C(C=C1)C(=O)O Z1198311044 [1,0,0,0,0,0|3,0,0]=4 132 B13R1.120 CC(=O)C1=C(C=C(C=C1)C(=O)O)C Z1262516363 [0,1,0,0,0,0|2,0,0]=3 133 B13R1.120 CC(=O)C1=C(C=C(C=C1)C(=O)O)F Z1681383107 [0,1,0,0,0,0|2,0,0]=3 134 B13R1.120 CC(=O)C1=C(C=C(C=C1)C(=O)O)O Z1262514240 [0,1,0,0,0,0|2,0,0]=3 135 B13R1.120 CC(=O)C1=C(C=C(C=C1)N(C)C)O Z1255387915 [0,1,0,0,0,0|1,0,0]=2 136 B13R1.120 CC(=O)C1=CC(=C(C=C1)C(=O)N)F Z1609185404 [0,1,0,0,0,0|3,0,0]=4 137 B13R1.120 CC(=O)C1=CC(=C(C=C1)C(=O)O)F Z1262558957 [0,1,0,0,0,0|2,0,0]=3 138 B13R1.120 CC(=O)C1=CC=C(C(=O)N1)C(=O)O Z1258795373 [0,1,0,0,0,0|3,0,0]=4 139 B13R1.120 CC(C)C1=C(C=C(C=C1)B(O)O)Cl Z4918975081 [0,1,0,0,0,0|2,0,1]=4 140 B13R1.120 CC(C)C1=C(C=C(C=C1)C(=O)O)Cl Z1262516670 [0,1,0,0,0,0|1,0,0]=2 141 B13R1.120 CC(C)C1=C(C=C(C=C1)C(=O)O)F Z1171157991 [0,1,0,0,0,0|1,0,0]=2 142 B13R1.120 CC(C)C1=CC(=C(C=C1)B(O)O)F Z1861997010 [0,1,0,0,0,0|2,0,1]=4 143 B13R1.120 CC(C)C1=CC(=C(C=C1)C(=O)O)O Z367679386 [0,1,0,0,0,0|1,0,0]=2 144 B13R1.120 CC(C)C1=CC=C(C(=O)N1)C(=O)O Z431947160 [0,1,0,0,0,0|2,0,0]=3 145 B13R1.120 CC(C)C1=NC(=C(C=N1)C(=O)O)Cl Z1721258148 [0,1,0,0,0,0|3,0,0]=4 146 B13R1.120 CC(C)N1C=CC(=CC1=O)C(=O)O Z1557326608 [0,1,0,0,0,0|2,0,0]=3 147 B13R1.120 CC1=C(C=CC(=C1)B(O)O)C(=O)O Z1198184367 [0,1,0,0,0,0|3,0,0]=4 148 B13R1.120 CC1=C(C=CC(=C1)B(O)O)N(C)C Z1201623582 [0,1,0,0,0,0|1,0,1]=3 149 B13R1.120 CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-] Z57914810 [0,1,0,0,0,0|2,0,1]=4 150 B13R1.120 CC1=C(C=CC(=C1)C(C)C)C(=O)O Z1262518693 [0,1,0,0,0,0|1,0,0]=2 151 B13R1.120 CC1=C(C=CC(=C1)N(C)C)P(=O)O Z1198155497 [0,1,0,0,0,0|1,0,0]=2 152 B13R1.120 CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O Z850331524 [0,1,0,0,0,0|2,0,1]=4 153 B13R1.120 CC1=C(C=CC(=N1)C(C)C)C(=O)O Z2216303128 [0,1,0,0,0,0|2,0,0]=3 154 B13R1.120 CC1=C(C=NC(=N1)C(C)C)C(=O)O Z851011372 [0,1,0,0,0,0|3,0,0]=4 155 B13R1.120 CN(C)C1=C(C=C(C=C1)C(=N)N)F Z1431002627 [0,1,0,0,0,0|2,0,0]=3 156 B13R1.120 CN(C)C1=C(C=C(C=C1)C(=O)N)N Z1165158977 [0,1,0,0,0,0|1,0,0]=2 157 B13R1.120 CN(C)C1=C(C=C(C=C1)C(=O)O)F Z335441410 [0,1,0,0,0,0|0,0,0]=1 158 B13R1.120 CN(C)C1=C(C=C(C=N1)C(=O)O)Cl Z330799454 [0,1,0,0,0,0|1,0,0]=2 159 B13R1.120 CN(C)C1=CC(=C(C=C1)C(=N)N)Cl Z1042089730 [0,1,0,0,0,0|2,0,0]=3 160 B13R1.120 CN(C)C1=CC(=C(C=C1)C(=N)N)F Z1431216269 [0,1,0,0,0,0|2,0,0]=3 161 B13R1.120 CN(C)C1=CC(=C(C=C1)C(=O)O)F Z1434892857 [0,1,0,0,0,0|0,0,0]=1 162 B13R1.120 CN(C)C1=CC(=C(C=C1)[N+](=O)[O-])N Z1255435316 [0,1,0,0,0,0|1,0,1]=3 163 B13R1.120 CN(C)C1=CC(=C(C=C1)[N+](=O)[O-])O Z1326937904 [0,1,0,0,0,0|1,0,1]=3 164 B13R1.120 NC(=O)C1=C(C=C(C=C1)C(=O)O)Cl Z3210757706 [0,1,0,0,0,0|3,0,0]=4 165 B13R1.120 NC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O Z56899198 [0,1,0,0,0,0|2,0,1]=4 166 B13R1.120 O=C(O)C1=C(C=C(C=C1)B(O)O)Cl Z1269125656 [0,1,0,0,0,0|3,0,0]=4 167 B13R1.120 O=C(O)C1=C(C=C(C=C1)B(O)O)F Z1171974293 [0,1,0,0,0,0|3,0,0]=4 168 B13R1.120 O=C(O)C1=C(C=C(C=C1)C(F)F)F Z1262561456 [0,1,0,0,0,0|3,0,0]=4 169 B13R1.120 O=C(O)C1=C(C=C(C=C1)[N+](=O)[O-])Br Z1238547381 [0,1,0,0,0,0|2,0,1]=4 170 B13R1.120 O=C(O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl Z57915332 [0,1,0,0,0,0|2,0,1]=4 171 B13R1.120 O=C(O)C1=C(C=C(C=C1)[N+](=O)[O-])F Z609263558 [0,1,0,0,0,0|2,0,1]=4 172 B13R1.120 O=C(O)C1=C(C=C(C=C1)[N+](=O)[O-])I Z991517184 [0,1,0,0,0,0|2,0,1]=4 173 B13R1.120 O=C(O)C1=C(C=C(C=C1)[N+](=O)[O-])O Z858215338 [0,1,0,0,0,0|2,0,1]=4 174 B13R1.120 O=C(O)C1=CC(=C(C=C1)B(O)O)F Z1171974294 [0,1,0,0,0,0|3,0,0]=4 175 B13R1.120 O=C(O)C1=CC(=C(C=C1)C(=O)O)O Z1198233600 [0,1,0,0,0,0|3,0,0]=4 176 B13R1.120 O=C(O)C1=CC(=C(C=C1)C(F)F)F Z2035299503 [0,1,0,0,0,0|3,0,0]=4 177 B13R1.120 O=C(O)C1=CC(=C(C=C1)[N+](=O)[O-])Cl Z1259161443 [0,1,0,0,0,0|2,0,1]=4 178 B13R1.120 O=C(O)C1=CC(=C(C=C1)[N+](=O)[O-])F Z995046708 [0,1,0,0,0,0|2,0,1]=4 179 B13R1.120 O=C(O)C1=CC(=C(C=C1)[N+](=O)[O-])O Z85939519 [0,1,0,0,0,0|2,0,1]=4 180 B13R1.338 CC(=O)C1=CC=C(C=C1)C(C)(C)C Z85956680 [0,1,0,0,0,0|2,0,0]=3 181 B13R1.338 CC(=O)C1=CC=C(C=C1)C(C)(C)O Z1238572199 [0,1,0,0,0,0|2,0,0]=3 182 B13R1.338 CC(=O)C1=CC=C(C=C1)S(=O)(=O)C Z57046982 [0,1,0,0,0,0|3,0,0]=4 183 B13R1.338 CC(C)(C)C1=CC=C(C=C1)B(O)O Z330828692 [0,1,0,0,0,0|2,0,1]=4 184 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=N)N Z2941369665 [0,1,0,0,0,0|3,0,0]=4 185 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=O)N Z33546472 [0,1,0,0,0,0|2,0,0]=3 186 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=O)O Z104473486 [0,1,0,0,0,0|1,0,0]=2 187 B13R1.338 CC(C)(C)C1=CN=C(C=C1)C(=O)O Z2335632290 [0,1,0,0,0,0|2,0,0]=3 188 B13R1.338 CC(C)(N)C1=CC=C(C=C1)[N+](=O)[O-] Z1359429552 [0,1,0,0,0,0|2,0,1]=4 189 B13R1.338 CC(C)(O)C1=CC=C(C=C1)C(=O)O Z1198159906 [0,1,0,0,0,0|1,0,0]=2 190 B13R1.338 CC(C)C1=CC=C(C=C1)S(=O)(=O)Cl Z56893268 [0,1,0,0,0,0|2,0,1]=4 191 B13R1.338 CC(C)C1=CC=C(C=C1)S(=O)(=O)N Z45415598 [0,1,0,0,0,0|2,0,1]=4 192 B13R1.338 CC(F)(F)C1=CC=C(C=C1)C(=O)N Z1262637185 [0,1,0,0,0,0|3,0,0]=4 193 B13R1.338 CC(F)(F)C1=CC=C(C=C1)C(=O)O Z1262522751 [0,1,0,0,0,0|2,0,0]=3 194 B13R1.338 CC(F)(F)C1=NC=C(C=C1)C(=O)O Z1255505037 [0,1,0,0,0,0|3,0,0]=4 195 B13R1.338 CC(O)C1=CC=C(C=C1)C(C)(C)C Z228586202 [0,1,0,0,0,0|2,0,1]=4 196 B13R1.338 CN(C)C1=NC=C(C=C1)S(=O)(=O)N Z211345202 [0,1,0,0,0,0|2,0,1]=4 197 B13R1.338 CP(=O)(C)C1=CC=C(C=C1)B(O)O Z1618144854 [0,1,0,0,0,0|1,1,1]=4 198 B13R1.338 CS(=O)(=O)C1=CC=C(C=C1)C(=O)N Z33545772 [0,1,0,0,0,0|3,0,0]=4 199 B13R1.338 CS(=O)(=O)C1=CC=C(C=C1)C(=O)O Z57042070 [0,1,0,0,0,0|2,0,0]=3 200 B13R1.338 CS(=O)(=O)C1=NC=C(C=C1)C(=O)O Z1269134346 [0,1,0,0,0,0|3,0,0]=4 201 B13R1.338 C[C@@H](O)C1=CC=C(C=C1)C(C)(C)C Z360055554 [0,1,0,0,0,0|2,0,1]=4 202 B13R1.338 C[C@H](O)C1=CC=C(C=C1)C(C)(C)C Z360055548 [0,1,0,0,0,0|2,0,1]=4 203 B13R1.338 C[S@](=N)(=O)C1=CC=C(C=C1)C(=O)O Z3486437907 [0,1,0,0,0,0|2,0,0]=3 204 B13R1.338 C[Si](C)(C)C1=CC=C(C=C1)B(O)O Z1255486786 [0,1,0,0,0,0|2,0,1]=4 205 B13R1.338 NS(=O)(=O)C1=CC=C(C=C1)C(=O)O Z53021532 [0,1,0,0,0,0|3,0,0]=4 206 B13R1.338 O=C(O)C1=CC=C(C=C1)C(F)(F)F Z56922105 [0,1,0,0,0,0|3,0,0]=4 207 B13R1.338 O=C(O)C1=CC=C(C=C1)S(=O)(=O)Cl Z57032569 [0,1,0,0,0,0|3,0,0]=4 208 B13R1.338 O=C(O)C1=CC=C(C=C1)S(=O)(=O)F Z56756006 [0,1,0,0,0,0|3,0,0]=4 209 B13R1.338 O=C(O)C1=CC=C(C=C1)S(=O)(=O)O Z1269169205 [0,1,0,0,0,0|3,0,0]=4 210 B13R1.537 CC(C)C1=CC=C(C=C1)C(=O)CCl Z104492314 [0,1,0,0,0,0|2,0,0]=3 211 B13R1.537 CC(C)C1=CC=C(C=C1)C(C)C=O Z1198152281 [0,1,0,0,0,0|2,0,1]=4 212 B13R1.537 CC(CN)C1=CC=C(C=C1)[N+](=O)[O-] Z478193320 [0,1,0,0,0,0|2,0,1]=4 213 B13R1.537 CCC(=O)C1=CC=C(C=C1)C(=O)O Z1198160271 [0,1,0,0,0,0|2,0,0]=3 214 B13R1.537 CCC(=O)C1=CC=C(C=C1)N(C)C Z1255458026 [0,1,0,0,0,0|1,0,0]=2 215 B13R1.537 CCC(C)C1=CC=C(C=C1)B(O)O Z381541044 [0,1,0,0,0,0|2,0,1]=4 216 B13R1.537 CCC(C)C1=CC=C(C=C1)C(=O)O Z285150268 [0,1,0,0,0,0|1,0,0]=2 217 B13R1.537 CCN(C)C1=CC=C(C=C1)C(=N)N Z409025366 [0,1,0,0,0,0|2,0,0]=3 218 B13R1.537 CCN(C)C1=CC=C(C=C1)C(=O)C Z409025570 [0,1,0,0,0,0|1,0,0]=2 219 B13R1.537 CCN(C)C1=CC=C(C=C1)C(=O)O Z1259041005 [0,1,0,0,0,0|0,0,0]=1 220 B13R1.537 CN(C)C1=CC=C(C=C1)/C(=N/O)/N Z744843658 [0,1,0,0,0,0|1,0,0]=2 221 B13R1.537 CN(C)C1=CC=C(C=C1)C(=O)CCl Z4180223285 [0,1,0,0,0,0|1,0,0]=2 222 B13R1.537 CNC(=O)C1=CC=C(C=C1)N(C)C Z32016576 [0,1,0,0,0,0|1,0,0]=2 223 B13R1.537 CNC(=O)C1=NC=C(C=C1)C(=O)O Z370745496 [0,1,0,0,0,0|3,0,0]=4 224 B13R1.537 CNC(C)C1=CC=C(C=C1)S(=O)C Z1312177721 [0,1,0,0,0,0|3,0,0]=4 225 B13R1.537 COC(=O)C1=CC=C(C=C1)B(O)O Z1095162714 [0,1,0,0,0,0|3,0,0]=4 226 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=N)N Z2168541787 [0,1,0,0,0,0|3,0,0]=4 227 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=O)C Z419615084 [0,1,0,0,0,0|2,0,0]=3 228 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=O)N Z33546865 [0,1,0,0,0,0|3,0,0]=4 229 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=O)O Z104492722 [0,1,0,0,0,0|2,0,0]=3 230 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=S)N Z905062558 [0,1,0,0,0,0|3,0,0]=4 231 B13R1.537 COC(=O)C1=CC=C(C=C1)C(C)O Z816113634 [0,1,0,0,0,0|2,0,0]=3 232 B13R1.537 COC(=O)C1=CC=C(C=C1)C(F)F Z1027514108 [0,1,0,0,0,0|3,0,0]=4 233 B13R1.537 COC(=O)C1=CC=C(C=C1)[N+](=O)[O-] Z19757043 [0,1,0,0,0,0|2,0,1]=4 234 B13R1.537 COC(=O)C1=CN=C(C=C1)C(=O)C Z1255374742 [0,1,0,0,0,0|3,0,0]=4 235 B13R1.537 COC(=O)C1=CN=C(C=C1)C(=O)O Z285045546 [0,1,0,0,0,0|3,0,0]=4 236 B13R1.537 COC(=O)C1=NC=C(C=C1)C(=O)O Z254336720 [0,1,0,0,0,0|3,0,0]=4 237 B13R1.537 O=C(O)C1=CC=C(C=C1)C(O)CF Z3003535596 [0,1,0,0,0,0|2,0,0]=3 238 B13R2.428 CC(C)C1=CC=C(C=C1)C2CO2 Z285186480 [0,0,0,1,0,0|2,0,1]=4 239 B13R2.428 O=C(O)C1=CC=C(C=C1)C2CC2 Z992239742 [0,0,0,1,0,0|1,0,0]=2 240 B13R2.428 O=C(O)C1=CC=C(C=C1)C2CO2 Z1262512353 [0,0,0,1,0,0|2,0,0]=3 241 B13R2.428 O=C(O)C1=CN=C(C=C1)C2CC2 Z5083291906 [0,0,0,1,0,0|2,0,0]=3 242 B13R2.428 O=C(O)C1=CN=C(N=C1)C2CC2 Z1013716158 [0,0,0,1,0,0|3,0,0]=4 243 B13R2.428 O=C(O)C1=NC=C(C=C1)C2CC2 Z1065600232 [0,0,0,1,0,0|2,0,0]=3 244 B11R1.175 CC(=O)C1=CC(=CS1)C(=O)O Z835833262 [0,0,0,0,1,0|3,0,0]=4 245 B11R1.175 CC(=O)C1=CC=C(N1)C(=O)O Z1198219139 [0,0,0,0,1,0|3,0,0]=4 246 B11R1.175 CC(=O)C1=CC=C(O1)C(=O)O Z1255368340 [0,0,0,0,1,0|3,0,0]=4 247 B11R1.175 CC(=O)C1=CC=C(S1)C(=O)O Z104378254 [0,0,0,0,1,0|3,0,0]=4 248 B11R1.175 CC(=O)C1=CNC(=C1)C(=O)O Z104510032 [0,0,0,0,1,0|3,0,0]=4 249 B11R1.175 CC(=O)C1=CSC(=C1)C(=O)O Z1123806397 [0,0,0,0,1,0|3,0,0]=4 250 B11R1.175 CC(C)C1=CC(=NN1)C(=O)O Z240119298 [0,0,0,0,1,0|3,0,0]=4 251 B11R1.175 CC(C)C1=CC(=NO1)C(=O)O Z182952422 [0,0,0,0,1,0|3,0,0]=4 252 B11R1.175 CC(C)C1=CC=C(S1)C(=O)O Z361925570 [0,0,0,0,1,0|2,0,0]=3 253 B11R1.175 CC(C)C1=NC(=CN1)C(=O)O Z1259335782 [0,0,0,0,1,0|3,0,0]=4 254 B11R1.175 CC(C)C1=NC(=CO1)C(=O)O Z969117296 [0,0,0,0,1,0|3,0,0]=4 255 B11R1.175 CC(C)C1=NC(=CS1)C(=O)O Z381402826 [0,0,0,0,1,0|3,0,0]=4 256 B11R1.175 CC(C)C1=NC=C(S1)C(=O)O Z385373298 [0,0,0,0,1,0|3,0,0]=4 257 B11R1.175 CC(C)C1=NOC(=C1)C(=O)O Z975823514 [0,0,0,0,1,0|3,0,0]=4 258 B11R1.175 CC(C)N1C=CC(=N1)C(=O)O Z1170243849 [0,0,0,0,1,0|3,0,0]=4 259 B11R1.175 CC(C)N1C=NC(=C1)C(=O)O Z1982493973 [0,0,0,0,1,0|3,0,0]=4 260 B11R1.175 CN(C)C1=NC(=CO1)C(=O)O Z1646050865 [0,0,0,0,1,0|2,0,0]=3 261 B11R1.175 CN(C)C1=NC=C(O1)C(=O)O Z1416192484 [0,0,0,0,1,0|2,0,0]=3 262 B13R1.585 CC(=O)C1=CC=C(C=C1)CC(=O)O Z382690832 [0,0,0,0,0,1|2,0,0]=3 263 B13R1.585 CC(=O)C1=CC=C(C=C1)CC(C)C Z104484764 [0,0,0,0,0,1|2,0,0]=3 264 B13R1.585 CC(=O)C1=CC=C(C=C1)CN(C)C Z1198272465 [0,0,0,0,0,1|1,0,0]=2 265 B13R1.585 CC(=O)C1=CC=C(C=C1)NC(=O)N Z198194978 [0,0,0,0,0,1|3,0,0]=4 266 B13R1.585 CC(=O)C1=CC=C(C=C1)OC(C)C Z53832962 [0,0,0,0,0,1|2,0,0]=3 267 B13R1.585 CC(=O)C1=CC=C(C=C1)SC(C)C Z600447052 [0,0,0,0,0,1|2,0,0]=3 268 B13R1.585 CC(=O)NC1=CC=C(C=C1)C(=O)C Z27699519 [0,0,0,0,0,1|3,0,0]=4 269 B13R1.585 CC(=O)NC1=CC=C(C=C1)C(=O)O Z57042001 [0,0,0,0,0,1|2,0,0]=3 270 B13R1.585 CC(=O)NC1=NC=C(C=C1)N(C)C Z914115824 [0,0,0,0,0,1|2,0,0]=3 271 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=O)C Z28188387 [0,0,0,0,0,1|3,0,0]=4 272 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=O)O Z57169570 [0,0,0,0,0,1|2,0,0]=3 273 B13R1.585 CC(C)C1=CC=C(C=C1)CC(=O)O Z362118700 [0,0,0,0,0,1|1,0,0]=2 274 B13R1.585 CC(C)CC1=CC=C(C=C1)C(=O)O Z57052892 [0,0,0,0,0,1|1,0,0]=2 275 B13R1.585 CC(C)CC1=CC=C(C=C1)C(C)O Z228586258 [0,0,0,0,0,1|2,0,1]=4 276 B13R1.585 CC(C)NC1=CC=C(C=C1)C(=O)O Z381340356 [0,0,0,0,0,1|1,0,0]=2 277 B13R1.585 CC(C)NC1=CC=C(C=C1)[N+](=O)[O-] Z31190935 [0,0,0,0,0,1|2,0,1]=4 278 B13R1.585 CC(C)NC1=NC=C(C=C1)C(=O)O Z330796166 [0,0,0,0,0,1|2,0,0]=3 279 B13R1.585 CC(C)OC1=CC=C(C=C1)B(O)O Z381513180 [0,0,0,0,0,1|2,0,1]=4 280 B13R1.585 CC(C)OC1=CC=C(C=C1)C(=N)N Z1262245650 [0,0,0,0,0,1|3,0,0]=4 281 B13R1.585 CC(C)OC1=CC=C(C=C1)C(=O)N Z33546687 [0,0,0,0,0,1|2,0,0]=3 282 B13R1.585 CC(C)OC1=CC=C(C=C1)C(=O)O Z56862736 [0,0,0,0,0,1|1,0,0]=2 283 B13R1.585 CC(C)OC1=CN=C(C=C1)C(=O)O Z1262520591 [0,0,0,0,0,1|2,0,0]=3 284 B13R1.585 CC(C)OC1=NC=C(C=C1)C(=O)O Z285179434 [0,0,0,0,0,1|2,0,0]=3 285 B13R1.585 CC(C)OC1=NC=C(N=C1)C(=O)O Z1217205114 [0,0,0,0,0,1|3,0,0]=4 286 B13R1.585 CC(C)OC1=NN=C(C=C1)C(=O)O Z502297546 [0,0,0,0,0,1|3,0,0]=4 287 B13R1.585 CC(C)SC1=CC=C(C=C1)C(=O)O Z228030824 [0,0,0,0,0,1|1,0,0]=2 288 B13R1.585 CC(N)C1=CC=C(C=C1)NC(=O)N Z278090892 [0,0,0,0,0,1|3,0,0]=4 289 B13R1.585 CC(N)CC1=CC=C(C=C1)N(C)C Z969560732 [0,0,0,0,0,1|2,0,1]=4 290 B13R1.585 CN(C)CC1=CC=C(C=C1)C(=N)N Z228583176 [0,0,0,0,0,1|2,0,0]=3 291 B13R1.585 CN(C)CC1=CC=C(C=C1)C(=O)O Z993967208 [0,0,0,0,0,1|0,0,0]=1 292 B13R1.585 CN(C)CC1=NC=C(C=C1)C(=O)O Z2004547738 [0,0,0,0,0,1|1,0,0]=2 293 B13R1.585 CS(=O)C1=CC=C(C=C1)CC(=O)O Z1251124311 [0,0,0,0,0,1|2,0,0]=3 294 B13R1.585 NC(=O)CC1=CC=C(C=C1)C(=O)O Z1255359559 [0,0,0,0,0,1|3,0,0]=4 295 B13R1.585 NC(=O)NC1=CC=C(C=C1)C(=O)O Z56896940 [0,0,0,0,0,1|3,0,0]=4 296 B13R1.585 O=C(O)C1=CC=C(C=C1)OC(F)F Z56899181 [0,0,0,0,0,1|3,0,0]=4 297 B13R1.585 O=C(O)C1=CC=C(C=C1)SC(F)F Z234774662 [0,0,0,0,0,1|3,0,0]=4 298 B13R1.585 O=C(O)CC1=CC=C(C=C1)B(O)O Z1198162651 [0,0,0,0,0,1|3,0,0]=4 299 B13R1.585 O=C(O)CC1=CC=C(C=C1)C(F)F Z1198264636 [0,0,0,0,0,1|3,0,0]=4 300 B13R1.585 O=C(O)CC1=CC=C(C=C1)[N+](=O)[O-] Z104477118 [0,0,0,0,0,1|2,0,1]=4 301 B10R1.3 C#CC1=CC=C(C=C1)C=O Z1203159515 [2,0,0,0,0,0|1,0,1]=4 302 B10R1.3 C=CC1=CC=C(C=C1)C=O Z1198150327 [2,0,0,0,0,0|1,0,1]=4 303 B10R1.3 CCC1=CC=C(C=C1)C=O Z104477712 [2,0,0,0,0,0|1,0,0]=3 304 B10R1.3 CCC1=CN=C(C=C1)C=O Z1198235245 [2,0,0,0,0,0|2,0,0]=4 305 B10R1.3 CCC1=NC=C(C=C1)C=O Z1255494858 [2,0,0,0,0,0|2,0,0]=4 306 B10R1.3 CNC1=CC=C(C=C1)C#N Z331873490 [2,0,0,0,0,0|1,0,1]=4 307 B10R1.3 CNC1=CC=C(C=C1)C=O Z1203730934 [2,0,0,0,0,0|0,0,0]=2 308 B10R1.3 CNC1=CC=C(C=C1)CN Z954985428 [2,0,0,0,0,0|1,0,1]=4 309 B10R1.3 CNC1=CC=C(C=C1)OC Z335282780 [2,0,0,0,0,0|2,0,0]=4 310 B10R1.3 CNC1=CC=C(C=C1)SC Z335261640 [2,0,0,0,0,0|2,0,0]=4 311 B10R1.3 CNC1=NC=C(C=N1)C=O Z274575552 [2,0,0,0,0,0|2,0,0]=4 312 B10R1.3 COC1=CC=C(C=C1)C=O Z53833125 [2,0,0,0,0,0|1,0,0]=3 313 B10R1.3 COC1=CC=C(C=C1)CO Z54603098 [2,0,0,0,0,0|1,0,1]=4 314 B10R1.3 COC1=CN=C(C=C1)C=O Z1198176556 [2,0,0,0,0,0|2,0,0]=4 315 B10R1.3 COC1=NC=C(C=C1)C=O Z1255356725 [2,0,0,0,0,0|2,0,0]=4 316 B10R1.3 CSC1=CC=C(C=C1)C=O Z104478194 [2,0,0,0,0,0|1,0,0]=3 317 B10R1.3 N#CC1=CC=C(C=C1)C=O Z104478052 [2,0,0,0,0,0|2,0,0]=4 318 B10R1.3 NCC1=CC=C(C=C1)C=O Z2418414207 [2,0,0,0,0,0|2,0,0]=4 319 B10R1.3 O=CC1=CC=C(C=C1)C=O Z104478582 [2,0,0,0,0,0|2,0,0]=4 320 B10R1.3 O=CC1=CC=C(C=C1)CBr Z1201624503 [2,0,0,0,0,0|2,0,0]=4 321 B10R1.3 O=CC1=CC=C(C=C1)CCl Z1198151895 [2,0,0,0,0,0|2,0,0]=4 322 B10R1.3 O=CC1=CC=C(C=C1)CF Z1255498899 [2,0,0,0,0,0|2,0,0]=4 323 B10R1.3 O=CC1=CC=C(C=C1)CO Z1255384176 [2,0,0,0,0,0|2,0,0]=4 324 B10R1.13 CC(=O)C1=CC=C(C=C1)Br Z57127459 [2,0,0,0,0,0|2,0,0]=4 325 B10R1.13 CC(=O)C1=CC=C(C=C1)C Z57127458 [2,0,0,0,0,0|1,0,0]=3 326 B10R1.13 CC(=O)C1=CC=C(C=C1)Cl Z57127462 [2,0,0,0,0,0|2,0,0]=4 327 B10R1.13 CC(=O)C1=CC=C(C=C1)F Z57127466 [2,0,0,0,0,0|2,0,0]=4 328 B10R1.13 CC(=O)C1=CC=C(C=C1)I Z57073725 [2,0,0,0,0,0|2,0,0]=4 329 B10R1.13 CC(=O)C1=CC=C(C=C1)N Z57127377 [2,0,0,0,0,0|1,0,0]=3 330 B10R1.13 CC(=O)C1=CC=C(C=C1)O Z57040434 [2,0,0,0,0,0|2,0,0]=4 331 B10R1.13 CC(C)C1=CC=C(C=C1)Br Z732229746 [2,0,0,0,0,0|2,0,0]=4 332 B10R1.13 CC(C)C1=CC=C(C=C1)Cl Z1255372793 [2,0,0,0,0,0|2,0,0]=4 333 B10R1.13 CC(C)C1=CC=C(C=C1)N Z104476320 [2,0,0,0,0,0|2,0,0]=4 334 B10R1.13 CC(C)C1=CC=C(C=C1)O Z56347200 [2,0,0,0,0,0|1,0,0]=3 335 B10R1.13 CC(N)C1=CC=C(C=C1)O Z1741968989 [2,0,0,0,0,0|2,0,0]=4 336 B10R1.13 CC1=CC=C(C=C1)B(O)O Z336079532 [2,0,0,0,0,0|1,0,1]=4 337 B10R1.13 CC1=CC=C(C=C1)C(=N)N Z1405445841 [2,0,0,0,0,0|2,0,0]=4 338 B10R1.13 CC1=CC=C(C=C1)C(=O)O Z57902424 [2,0,0,0,0,0|0,0,0]=2 339 B10R1.13 CC1=CC=C(C=C1)C(=S)N Z56939152 [2,0,0,0,0,0|1,1,0]=4 340 B10R1.13 CC1=CC=C(C=C1)C(C)C Z104497772 [2,0,0,0,0,0|1,0,1]=4 341 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O Z1127664396 [2,0,0,0,0,0|1,0,1]=4 342 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O Z1127664278 [2,0,0,0,0,0|1,0,1]=4 343 B10R1.13 CC1=CC=C(C=C1)[N+](=O)[O-] Z104476692 [2,0,0,0,0,0|1,0,1]=4 344 B10R1.13 CC1=CC=C(C=C1)[S-](=O)=O Z104501328 [2,0,0,0,0,0|1,0,1]=4 345 B10R1.13 CC1=CN=C(C=C1)C(=O)O Z1511494596 [2,0,0,0,0,0|1,0,0]=3 346 B10R1.13 CC1=CN=C(N=C1)C(=O)O Z1198261922 [2,0,0,0,0,0|2,0,0]=4 347 B10R1.13 CC1=NC=C(C=C1)C(=O)N Z57493539 [2,0,0,0,0,0|2,0,0]=4 348 B10R1.13 CC1=NC=C(C=C1)C(=O)O Z235485476 [2,0,0,0,0,0|1,0,0]=3 349 B10R1.13 CC1=NC=C(N=C1)C(=O)O Z104478058 [2,0,0,0,0,0|2,0,0]=4 350 B10R1.13 CC1=NN=C(C=C1)C(=O)O Z1198232969 [2,0,0,0,0,0|2,0,0]=4 351 B10R1.13 CN(C)C1=CC=C(C=C1)O Z137981254 [2,0,0,0,0,0|0,0,0]=2 352 B10R1.13 CN(C)C1=NC=C(C=C1)Br Z808607100 [2,0,0,0,0,0|2,0,0]=4 353 B10R1.13 CS(=O)C1=CC=C(C=C1)N Z609944508 [2,0,0,0,0,0|2,0,0]=4 354 B10R1.13 C[C@H](N)C1=CC=C(C=C1)O Z3183546879 [2,0,0,0,0,0|2,0,0]=4 355 B10R1.13 NC(=O)C1=CC=C(C=C1)Br Z33546526 [2,0,0,0,0,0|2,0,0]=4 356 B10R1.13 NC(=O)C1=CC=C(C=C1)F Z33546459 [2,0,0,0,0,0|2,0,0]=4 357 B10R1.13 NC(=O)C1=CC=C(C=C1)I Z33546486 [2,0,0,0,0,0|2,0,0]=4 358 B10R1.13 NC(=O)C1=CC=C(C=C1)N Z104474782 [2,0,0,0,0,0|1,0,0]=3 359 B10R1.13 NC(=O)C1=CC=C(C=C1)O Z104502228 [2,0,0,0,0,0|2,0,0]=4 360 B10R1.13 NC(=O)C1=CN=C(C=C1)N Z959893184 [2,0,0,0,0,0|2,0,0]=4 361 B10R1.13 NC(=O)C1=NC=C(C=C1)N Z1116403989 [2,0,0,0,0,0|2,0,0]=4 362 B10R1.13 NC(=S)C1=CC=C(C=C1)N Z234895465 [2,0,0,0,0,0|1,1,0]=4 363 B10R1.13 NC1=CC=C(C=C1)B(O)O Z1741970842 [2,0,0,0,0,0|1,0,1]=4 364 B10R1.13 NC1=CC=C(C=C1)C(=O)O Z57127446 [2,0,0,0,0,0|0,0,0]=2 365 B10R1.13 NC1=CC=C(C=C1)[N+](=O)[O-] Z275127984 [2,0,0,0,0,0|1,0,1]=4 366 B10R1.13 NC1=CN=C(C=C1)C(=O)O Z1649677869 [2,0,0,0,0,0|1,0,0]=3 367 B10R1.13 NC1=NC=C(C=C1)C(=O)O Z90122558 [2,0,0,0,0,0|1,0,0]=3 368 B10R1.13 NC1=NC=C(C=N1)C(=O)O Z274575484 [2,0,0,0,0,0|2,0,0]=4 369 B10R1.13 NC1=NN=C(C=C1)C(=O)O Z502337450 [2,0,0,0,0,0|2,0,0]=4 370 B10R1.13 O=C(O)C1=CC=C(C=C1)Br Z57127530 [2,0,0,0,0,0|1,0,0]=3 371 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl Z104473324 [2,0,0,0,0,0|1,0,0]=3 372 B10R1.13 O=C(O)C1=CC=C(C=C1)F Z57367354 [2,0,0,0,0,0|1,0,0]=3 373 B10R1.13 O=C(O)C1=CC=C(C=C1)I Z57636572 [2,0,0,0,0,0|1,0,0]=3 374 B10R1.13 O=C(O)C1=CC=C(C=C1)O Z104498098 [2,0,0,0,0,0|1,0,0]=3 375 B10R1.13 O=C(O)C1=CC=C(C=C1)S Z223639246 [2,0,0,0,0,0|1,0,0]=3 376 B10R1.13 O=C(O)C1=CN=C(C=C1)Br Z1258919772 [2,0,0,0,0,0|2,0,0]=4 377 B10R1.13 O=C(O)C1=CN=C(C=C1)Cl Z104476110 [2,0,0,0,0,0|2,0,0]=4 378 B10R1.13 O=C(O)C1=CN=C(C=C1)F Z1182395505 [2,0,0,0,0,0|2,0,0]=4 379 B10R1.13 O=C(O)C1=CN=C(C=C1)O Z104500708 [2,0,0,0,0,0|2,0,0]=4 380 B10R1.13 O=C(O)C1=NC=C(C=C1)Br Z972791012 [2,0,0,0,0,0|2,0,0]=4 381 B10R1.13 O=C(O)C1=NC=C(C=C1)Cl Z1201622823 [2,0,0,0,0,0|2,0,0]=4 382 B10R1.13 O=C(O)C1=NC=C(C=C1)I Z1069125846 [2,0,0,0,0,0|2,0,0]=4 383 B10R1.13 O=C1C=CC(=CO1)C(=O)O Z104472302 [2,0,0,0,0,0|2,0,0]=4 384 B10R1.13 O=P(O)C1=CC=C(C=C1)Cl Z56798029 [2,0,0,0,0,0|2,0,0]=4 385 B12R1.5 C#CC1=CC=C(C=C1)C(=O)OC Z1198151571 [1,1,0,0,0,0|1,0,1]=4 386 B12R1.5 C=C(CO)C1=CC=C(C=C1)OC Z1896425058 [1,1,0,0,0,0|2,0,0]=4 387 B12R1.5 CCC(=O)C1=CC=C(C=C1)CC Z285137084 [1,1,0,0,0,0|2,0,0]=4 388 B12R1.5 CCC(C)C1=CC=C(C=C1)C=O Z385369904 [1,1,0,0,0,0|1,0,0]=3 389 B12R1.5 CCC1=CC=C(C=C1)/C(=N/O)/N Z104442610 [1,1,0,0,0,0|2,0,0]=4 390 B12R1.5 CCC1=CC=C(C=C1)C(=O)CCl Z56881220 [1,1,0,0,0,0|2,0,0]=4 391 B12R1.5 CCC1=CC=C(C=C1)C(=O)NN Z56926664 [1,1,0,0,0,0|2,0,0]=4 392 B12R1.5 CCN(C)C1=CC=C(C=C1)CO Z409026316 [1,1,0,0,0,0|0,0,1]=3 393 B12R1.5 CCN(C)C1=NC=C(C=C1)C=O Z1255447297 [1,1,0,0,0,0|1,0,0]=3 394 B12R1.5 CN(N=O)C1=CC=C(C=C1)N=O Z1198148642 [1,1,0,0,0,0|2,0,0]=4 395 B12R1.5 CNC(=O)C1=CC=C(C=C1)C=O Z235353065 [1,1,0,0,0,0|2,0,0]=4 396 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC Z32016396 [1,1,0,0,0,0|2,0,0]=4 397 B12R1.5 CNC(=O)C1=CC=C(C=C1)SC Z51983114 [1,1,0,0,0,0|2,0,0]=4 398 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC Z3014412034 [1,1,0,0,0,0|0,0,0]=2 399 B12R1.5 CNC1=NC=C(C=N1)C(=O)OC Z1939439656 [1,1,0,0,0,0|2,0,0]=4 400 B12R1.5 CNC1=NN=C(C=C1)C(=O)OC Z502405672 [1,1,0,0,0,0|2,0,0]=4 401 B12R1.5 COC(=O)C1=CC=C(C=C1)C#N Z18372983 [1,1,0,0,0,0|2,0,0]=4 402 B12R1.5 COC(=O)C1=CC=C(C=C1)C=O Z18297598 [1,1,0,0,0,0|2,0,0]=4 403 B12R1.5 COC(=O)C1=CC=C(C=C1)CBr Z57358719 [1,1,0,0,0,0|2,0,0]=4 404 B12R1.5 COC(=O)C1=CC=C(C=C1)CN Z56839665 [1,1,0,0,0,0|2,0,0]=4 405 B12R1.5 COC(=O)C1=CC=C(C=C1)CO Z25262776 [1,1,0,0,0,0|2,0,0]=4 406 B12R1.5 COC1=CC=C(C=C1)/C(=N/O)/N Z57169545 [1,1,0,0,0,0|2,0,0]=4 407 B12R1.5 COC1=CC=C(C=C1)C(=O)CCl Z56945957 [1,1,0,0,0,0|2,0,0]=4 408 B12R1.5 COC1=CC=C(C=C1)C(=O)CO Z228585822 [1,1,0,0,0,0|1,0,0]=3 409 B12R1.5 COC1=CC=C(C=C1)C(=O)NN Z57199662 [1,1,0,0,0,0|2,0,0]=4 410 B12R1.5 COC1=CC=C(C=C1)C(=O)NO Z59181957 [1,1,0,0,0,0|1,0,0]=3 411 B12R1.5 CSC1=CC=C(C=C1)C(=O)C=O Z2289798581 [1,1,0,0,0,0|1,0,1]=4 412 B12R1.5 CSC1=CC=C(C=C1)C(=O)CCl Z104493412 [1,1,0,0,0,0|2,0,0]=4 413 B12R1.5 NCC1=CC=C(C=C1)C(=O)NO Z2065616423 [1,1,0,0,0,0|2,0,0]=4 414 B12R1.6 CC(C)(C)C1=CC=C(C=C1)C=O Z57887687 [1,1,0,0,0,0|1,0,0]=3 415 B12R1.6 CC(C)(C)C1=CN=C(C=C1)C=O Z1255438018 [1,1,0,0,0,0|2,0,0]=4 416 B12R1.6 CC(C)(C)C1=NC=C(C=C1)C=O Z1198182869 [1,1,0,0,0,0|2,0,0]=4 417 B12R1.6 CC(C)(O)C1=CC=C(C=C1)C=O Z1511747837 [1,1,0,0,0,0|1,0,0]=3 418 B12R1.6 CC(F)(F)C1=CC=C(C=C1)C=O Z1255389617 [1,1,0,0,0,0|2,0,0]=4 419 B12R1.6 CNC1=CC=C(C=C1)S(=O)(=O)C Z335272338 [1,1,0,0,0,0|1,0,1]=4 420 B12R1.6 CP(=O)(C)C1=NC=C(C=C1)C=O Z3981166591 [1,1,0,0,0,0|1,1,0]=4 421 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)C=O Z732216198 [1,1,0,0,0,0|2,0,0]=4 422 B12R1.6 C[N+](C)(C)C1=CC=C(C=C1)C=O Z56785107 [1,1,0,0,0,0|0,0,1]=3 423 B12R1.6 C[Si](C)(C)C1=CC=C(C=C1)C=O Z1198176233 [1,1,0,0,0,0|1,0,0]=3 424 B12R1.6 NNC1=CC=C(C=C1)S(=O)(=O)O Z56776891 [1,1,0,0,0,0|2,0,0]=4 425 B12R1.48 C#CC1=C(C=C(C=C1)C(=O)O)C Z1617995655 [1,1,0,0,0,0|1,0,1]=4 426 B12R1.48 CC(C)C1=CC(=C(C=C1)C=O)F Z1171158410 [1,1,0,0,0,0|1,0,0]=3 427 B12R1.48 CC1=C(C=CC(=C1)N(C)C)C#N Z1203162977 [1,1,0,0,0,0|1,0,1]=4 428 B12R1.48 CC1=C(C=CC(=C1)N(C)C)C=O Z959352824 [1,1,0,0,0,0|0,0,0]=2 429 B12R1.48 CC1=C(C=CC(=C1)N(C)C)CN Z959357814 [1,1,0,0,0,0|1,0,1]=4 430 B12R1.48 CC1=CC(=NC=C1C=O)N(C)C Z1198176756 [1,1,0,0,0,0|1,0,0]=3 431 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)Cl Z1255376027 [1,1,0,0,0,0|1,0,0]=3 432 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)F Z1255438299 [1,1,0,0,0,0|1,0,0]=3 433 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)N Z1079174536 [1,1,0,0,0,0|1,0,0]=3 434 B12R1.48 CCN1C=CC(=CC1=O)C(=O)O Z1201626394 [1,1,0,0,0,0|2,0,0]=4 435 B12R1.48 CN(C)C1=CC(=C(C=C1)C#N)Br Z3243491618 [1,1,0,0,0,0|1,0,1]=4 436 B12R1.48 CN(C)C1=CC(=C(C=C1)C#N)F Z1469660863 [1,1,0,0,0,0|1,0,1]=4 437 B12R1.48 CN(C)C1=CC(=C(C=C1)C#N)N Z1216845763 [1,1,0,0,0,0|1,0,1]=4 438 B12R1.48 CN(C)C1=CC(=C(C=C1)C=O)O Z1255364776 [1,1,0,0,0,0|0,0,0]=2 439 B12R1.48 CN(C)C1=NC=C(C(=C1)Cl)C=O Z2511806456 [1,1,0,0,0,0|1,0,0]=3 440 B12R1.48 CNC1=C(C=C(C=C1)C(=O)O)F Z995130308 [1,1,0,0,0,0|0,0,0]=2 441 B12R1.48 CNC1=C(C=C(C=C1)C(=O)O)N Z1945708092 [1,1,0,0,0,0|0,0,0]=2 442 B12R1.48 CNC1=C(C=C(C=C1)[N+](=O)[O-])N Z425800964 [1,1,0,0,0,0|1,0,1]=4 443 B12R1.48 CNC1=C(C=C(C=N1)C(=O)O)N Z5260886074 [1,1,0,0,0,0|1,0,0]=3 444 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)Br Z57042009 [1,1,0,0,0,0|2,0,0]=4 445 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)C Z415732058 [1,1,0,0,0,0|2,0,0]=4 446 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)Cl Z331027654 [1,1,0,0,0,0|2,0,0]=4 447 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)F Z85921976 [1,1,0,0,0,0|2,0,0]=4 448 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)O Z1255365043 [1,1,0,0,0,0|2,0,0]=4 449 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)Br Z101186024 [1,1,0,0,0,0|2,0,0]=4 450 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)F Z87615059 [1,1,0,0,0,0|2,0,0]=4 451 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)N Z239125322 [1,1,0,0,0,0|2,0,0]=4 452 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br Z57663652 [1,1,0,0,0,0|1,0,0]=3 453 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Cl Z57790676 [1,1,0,0,0,0|1,0,0]=3 454 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)F Z57169536 [1,1,0,0,0,0|1,0,0]=3 455 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)I Z57200689 [1,1,0,0,0,0|1,0,0]=3 456 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)N Z274783176 [1,1,0,0,0,0|1,0,0]=3 457 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)O Z381356676 [1,1,0,0,0,0|1,0,0]=3 458 B12R1.48 COC1=C(C=C(C=N1)C(=O)O)Br Z1269152701 [1,1,0,0,0,0|2,0,0]=4 459 B12R1.48 COC1=C(N=C(C=C1)C(=O)O)Cl Z1198174178 [1,1,0,0,0,0|2,0,0]=4 460 B12R1.48 COC1=CNC(=CC1=O)C(=O)O Z1198280174 [1,1,0,0,0,0|2,0,0]=4 461 B12R1.48 COC1=COC(=CC1=O)C(=O)O Z1198280173 [1,1,0,0,0,0|2,0,0]=4 462 B12R1.48 CSC1=C(C=C(C=C1)C(=O)C)F Z732207810 [1,1,0,0,0,0|2,0,0]=4 463 B12R1.48 N#CC1=C(C=C(C=C1)C(=O)O)Cl Z1255430722 [1,1,0,0,0,0|2,0,0]=4 464 B12R1.48 N#CC1=C(C=C(C=C1)C(=O)O)O Z1255367441 [1,1,0,0,0,0|2,0,0]=4 465 B12R1.48 NCC1=C(C=C(C=C1)C(=O)O)Br Z2901372894 [1,1,0,0,0,0|2,0,0]=4 466 B12R1.48 NCC1=C(C=C(C=C1)C(=O)O)F Z4679492911 [1,1,0,0,0,0|2,0,0]=4 467 B12R1.48 NCC1=C(C=C(C=C1)C(=O)O)O Z3413989910 [1,1,0,0,0,0|2,0,0]=4 468 B12R1.48 O=C(O)C1=CC(=C(C=C1)CO)Cl Z1551918094 [1,1,0,0,0,0|2,0,0]=4 469 B12R1.48 O=C(O)C1=CC(=C(C=C1)CO)F Z1080722404 [1,1,0,0,0,0|2,0,0]=4 470 B12R1.48 O=C(O)C1=CC(=C(C=C1)CS)F Z381364016 [1,1,0,0,0,0|2,0,0]=4 471 B12R1.48 O=CC1=C(C=C(C=C1)C(=O)O)Cl Z1262534327 [1,1,0,0,0,0|2,0,0]=4 472 B12R1.48 O=CC1=C(C=C(C=C1)C(=O)O)O Z1255365429 [1,1,0,0,0,0|2,0,0]=4 473 B12R1.113 C/N=C/C1=CC=C(C=C1)C(C)C Z56944543 [1,1,0,0,0,0|2,0,0]=4 474 B12R1.113 CC(C)C1=CC=C(C=C1)/C=N/O Z49568517 [1,1,0,0,0,0|1,0,0]=3 475 B12R1.113 CC(C)C1=CC=C(C=C1)CC=O Z1020792742 [1,1,0,0,0,0|1,0,0]=3 476 B12R1.113 CCCC1=CC=C(C=C1)C(=O)O Z285150282 [1,1,0,0,0,0|1,0,0]=3 477 B12R1.113 CCNC1=CC=C(C=C1)C(=O)O Z381340222 [1,1,0,0,0,0|0,0,0]=2 478 B12R1.113 CCOC1=CC=C(C=C1)C(=O)C Z53832961 [1,1,0,0,0,0|2,0,0]=4 479 B12R1.113 CCOC1=CC=C(C=C1)C(=O)N Z33546681 [1,1,0,0,0,0|2,0,0]=4 480 B12R1.113 CCOC1=CC=C(C=C1)C(=O)O Z56759338 [1,1,0,0,0,0|1,0,0]=3 481 B12R1.113 CCOC1=NC=C(C=C1)C(=O)O Z240114982 [1,1,0,0,0,0|2,0,0]=4 482 B12R1.113 CCSC1=CC=C(C=C1)C(=O)C Z332382324 [1,1,0,0,0,0|2,0,0]=4 483 B12R1.113 CCSC1=CC=C(C=C1)C(=O)O Z228030812 [1,1,0,0,0,0|1,0,0]=3 484 B12R1.113 CCSC1=NC=C(C=C1)C(=O)O Z332377502 [1,1,0,0,0,0|2,0,0]=4 485 B12R1.113 CN(C)C1=CC=C(C=C1)/C=N/O Z49568328 [1,1,0,0,0,0|0,0,0]=2 486 B12R1.113 CN(C)C1=CC=C(C=C1)CCN Z285143748 [1,1,0,0,0,0|1,0,1]=4 487 B12R1.113 CN(C)C1=CC=C(C=C1)SC#N Z87001968 [1,1,0,0,0,0|1,0,1]=4 488 B12R1.113 CNCC1=CC=C(C=C1)C(=O)N Z316170532 [1,1,0,0,0,0|1,0,0]=3 489 B12R1.113 CNCC1=CC=C(C=C1)N(C)C Z57327129 [1,1,0,0,0,0|1,0,1]=4 490 B12R1.113 CNCC1=CC=C(C=C1)S(=O)C Z1262607272 [1,1,0,0,0,0|2,0,0]=4 491 B12R1.113 CNCC1=CC=C(C=C1)[N+](=O)[O-] Z102766816 [1,1,0,0,0,0|1,0,1]=4 492 B12R1.113 CNCC1=NC=C(C=C1)C(=O)O Z1255404522 [1,1,0,0,0,0|1,0,0]=3 493 B12R1.113 COCC1=CC=C(C=C1)C(=O)N Z52214428 [1,1,0,0,0,0|2,0,0]=4 494 B12R1.113 COCC1=CC=C(C=C1)C(=O)O Z57981093 [1,1,0,0,0,0|1,0,0]=3 495 B12R1.113 COCC1=NC=C(C=C1)C(=O)O Z1255402225 [1,1,0,0,0,0|2,0,0]=4 496 B12R1.113 CSCC1=CC=C(C=C1)C(=O)O Z51581091 [1,1,0,0,0,0|1,0,0]=3 497 B12R1.113 N#CCC1=CC=C(C=C1)C(=O)O Z274531454 [1,1,0,0,0,0|1,0,1]=4 498 B12R1.113 NCCC1=CC=C(C=C1)C(=O)O Z104341512 [1,1,0,0,0,0|1,0,0]=3 499 B12R1.113 NCCC1=CN=C(C=C1)C(=O)O Z5777724066 [1,1,0,0,0,0|2,0,0]=4 500 B12R1.113 O=C(O)C1=CC=C(C=C1)/C=N/O Z49568495 [1,1,0,0,0,0|1,0,1]=4 501 B12R1.113 O=C(O)C1=CC=C(C=C1)CCO Z1198159608 [1,1,0,0,0,0|1,0,0]=3 502 B12R1.113 O=CNC1=CC=C(C=C1)C(=O)O Z760037024 [1,1,0,0,0,0|0,0,1]=3 503 B12R1.452 CC(C)C1=C(C=C(C=C1)C=O)Br Z3242862201 [1,1,0,0,0,0|1,0,0]=3 504 B12R1.452 CC1=C(C=CC(=C1)C#N)C(=O)O Z1255385069 [1,1,0,0,0,0|2,0,0]=4 505 B12R1.452 CC1=C(C=CC(=C1)C=O)C(=O)O Z1262529112 [1,1,0,0,0,0|2,0,0]=4 506 B12R1.452 CC1=C(C=CC(=C1)CN)N(C)C Z1266823112 [1,1,0,0,0,0|1,0,1]=4 507 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)C Z1255422069 [1,1,0,0,0,0|1,0,0]=3 508 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)Cl Z1255359653 [1,1,0,0,0,0|1,0,0]=3 509 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)F Z1255434596 [1,1,0,0,0,0|1,0,0]=3 510 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)N Z1188031184 [1,1,0,0,0,0|1,0,0]=3 511 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)O Z1255367412 [1,1,0,0,0,0|1,0,0]=3 512 B12R1.452 CCC1=NC(=C(C=C1)C(=O)O)Br Z1269238713 [1,1,0,0,0,0|2,0,0]=4 513 B12R1.452 CCC1=NC(=C(C=C1)C(=O)O)C Z1255381842 [1,1,0,0,0,0|2,0,0]=4 514 B12R1.452 CCC1=NC(=C(C=C1)C(=O)O)O Z1198233393 [1,1,0,0,0,0|2,0,0]=4 515 B12R1.452 CN(C)C1=C(C=C(C=C1)C#N)Br Z1544712728 [1,1,0,0,0,0|1,0,1]=4 516 B12R1.452 CN(C)C1=C(C=C(C=C1)C#N)F Z445161418 [1,1,0,0,0,0|1,0,1]=4 517 B12R1.452 CN(C)C1=C(C=C(C=C1)C=O)F Z335439982 [1,1,0,0,0,0|0,0,0]=2 518 B12R1.452 CN(C)C1=C(C=C(C=C1)CN)F Z362597184 [1,1,0,0,0,0|1,0,1]=4 519 B12R1.452 CN(C)C1=C(C=C(C=C1)CO)F Z362022086 [1,1,0,0,0,0|0,0,1]=3 520 B12R1.452 CNC1=CC(=C(C=C1)C(=O)N)Br Z2511811300 [1,1,0,0,0,0|1,0,0]=3 521 B12R1.452 CNC1=CC(=C(C=C1)C(=O)O)Cl Z1042084040 [1,1,0,0,0,0|0,0,0]=2 522 B12R1.452 CNC1=CC(=C(C=C1)[N+](=O)[O-])C Z419009538 [1,1,0,0,0,0|1,0,1]=4 523 B12R1.452 CNC1=CC(=C(C=C1)[N+](=O)[O-])N Z3244377547 [1,1,0,0,0,0|1,0,1]=4 524 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)Br Z454080406 [1,1,0,0,0,0|2,0,0]=4 525 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)C Z285137066 [1,1,0,0,0,0|2,0,0]=4 526 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)N Z1198165201 [1,1,0,0,0,0|2,0,0]=4 527 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)O Z57101020 [1,1,0,0,0,0|2,0,0]=4 528 B12R1.452 COC1=CC(=C(C=C1)C(=O)N)O Z57032591 [1,1,0,0,0,0|2,0,0]=4 529 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Br Z454080610 [1,1,0,0,0,0|1,0,0]=3 530 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Cl Z431962480 [1,1,0,0,0,0|1,0,0]=3 531 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)F Z89264974 [1,1,0,0,0,0|1,0,0]=3 532 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)I Z1269201449 [1,1,0,0,0,0|1,0,0]=3 533 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)N Z367452116 [1,1,0,0,0,0|1,0,0]=3 534 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)O Z104499836 [1,1,0,0,0,0|1,0,0]=3 535 B12R1.452 COC1=CC(=C(N=C1)C(=O)O)F Z1255367222 [1,1,0,0,0,0|2,0,0]=4 536 B12R1.452 COC1=NC(=C(C=C1)C(=O)O)C Z1255389271 [1,1,0,0,0,0|2,0,0]=4 537 B12R1.452 COC1=NC=C(C(=C1)C)C(=O)O Z1255418820 [1,1,0,0,0,0|2,0,0]=4 538 B12R1.452 CSC1=CC(=C(C=C1)C(=O)C)Cl Z871801792 [1,1,0,0,0,0|2,0,0]=4 539 B12R1.452 CSC1=CC(=C(C=C1)C(=O)O)Cl Z1042085326 [1,1,0,0,0,0|1,0,0]=3 540 B12R1.452 N#CC1=CC(=C(C=C1)C(=O)O)O Z1255363166 [1,1,0,0,0,0|2,0,0]=4 541 B12R1.452 O=C(O)C1=C(C=C(C=C1)CO)F Z1255383867 [1,1,0,0,0,0|2,0,0]=4 542 B12R1.452 O=CC1=CC(=C(C=C1)C(=O)O)Cl Z1198314264 [1,1,0,0,0,0|2,0,0]=4 543 B12R1.452 O=CC1=CC(=C(C=C1)C(=O)O)F Z1198342985 [1,1,0,0,0,0|2,0,0]=4 544 B12R1.452 O=CC1=CC(=C(C=C1)C(=O)O)O Z1255375223 [1,1,0,0,0,0|2,0,0]=4 545 B12R1.111 CC1=C(C=C(O1)C(C)C)C(=O)O Z1198164685 [0,1,0,0,1,0|2,0,0]=4 546 B12R1.254 CC(C)(C)C1=CC(=CS1)C(=O)O Z1601539340 [0,1,0,0,1,0|2,0,0]=4 547 B12R1.254 CC(C)(C)C1=CC=C(N1)C(=O)O Z1262554111 [0,1,0,0,1,0|2,0,0]=4 548 B12R1.254 CC(C)(C)C1=CC=C(S1)C(=O)O Z431535920 [0,1,0,0,1,0|2,0,0]=4 549 B12R1.254 CC(C)(C)N1C=CC(=C1)C(=O)O Z1198369358 [0,1,0,0,1,0|2,0,0]=4 550 B12R1.901 CC1=C(C=CN1C(C)C)C(=O)O Z1813188619 [0,1,0,0,1,0|2,0,0]=4 551 B14R1.124 CC(=O)NC1=C(C=C(C=C1)C(=O)O)C Z224251106 [0,1,0,0,0,1|2,0,0]=4 552 B14R1.124 CC(=O)NC1=C(C=C(C=C1)C(=O)O)F Z1097094275 [0,1,0,0,0,1|2,0,0]=4 553 B14R1.124 CC(C)OC1=C(C=C(C=C1)C(=O)O)N Z415732804 [0,1,0,0,0,1|1,0,0]=3 554 B14R1.124 CC(C)OC1=C(C=C(C=N1)C(=O)O)Cl Z285179436 [0,1,0,0,0,1|2,0,0]=4 555 B14R1.124 CN(C)CC1=C(C=C(C=C1)B(O)O)F Z2417560387 [0,1,0,0,0,1|1,0,1]=4 556 B14R1.124 CN(C)CC1=C(C=C(C=C1)C(=O)N)N Z415698644 [0,1,0,0,0,1|1,0,0]=3 557 B14R1.414 CC(=O)C1=CC=C(C=C1)OC(C)(C)C Z362803202 [0,1,0,0,0,1|2,0,0]=4 558 B14R1.414 CC(C)(C)CC1=CC=C(C=C1)C(=O)O Z1198218360 [0,1,0,0,0,1|1,0,0]=3 559 B14R1.414 CC(C)(C)OC1=CC=C(C=C1)C(=O)O Z362803716 [0,1,0,0,0,1|1,0,0]=3 560 B14R1.414 CC(C)(C)OC1=CN=C(C=C1)C(=O)O Z1498961679 [0,1,0,0,0,1|2,0,0]=4 561 B14R1.414 CC(C)(C)OC1=NC=C(C=C1)C(=O)O Z362798962 [0,1,0,0,0,1|2,0,0]=4 562 B14R1.414 CS(=O)(=O)CC1=CC=C(C=C1)C(=O)O Z85929478 [0,1,0,0,0,1|2,0,0]=4 563 B14R1.414 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)O Z45636695 [0,1,0,0,0,1|2,0,0]=4 564 B14R1.717 C/C=C(\C)/C1=CC=C(C=C1)OC(=O)C Z2856149369 [0,1,0,0,0,1|2,0,0]=4 565 B14R1.717 CC(C)OC1=CC=C(C=C1)C(=O)NN Z56862722 [0,1,0,0,0,1|2,0,0]=4 566 B14R1.717 CNC(=O)C1=CC=C(C=C1)CC(=O)O Z3376227041 [0,1,0,0,0,1|2,0,0]=4 567 B14R1.717 CNC(=O)C1=CC=C(C=C1)SC(C)C Z605596270 [0,1,0,0,0,1|2,0,0]=4 568 B14R1.717 COC(=O)C1=CC=C(C=C1)CC(=O)O Z1262510931 [0,1,0,0,0,1|2,0,0]=4 569 B14R1.717 COC(=O)C1=CC=C(C=C1)CC(C)N Z4954271721 [0,1,0,0,0,1|2,0,0]=4 570 B14R1.806 CC(C)(C)C1=CC=C(C=C1)CC(=O)O Z57309485 [0,1,0,0,0,1|1,0,0]=3 571 B14R1.806 CN(C)CC1=CC=C(C=C1)S(=O)(=O)N Z1603795575 [0,1,0,0,0,1|1,0,1]=4 572 B14R1.806 CS(=O)(=O)C1=CC=C(C=C1)CC(=O)O Z362118826 [0,1,0,0,0,1|2,0,0]=4 573 B14R1.2879 C=CC(=O)NC1=CC=C(C=C1)N(C)C Z440636810 [0,1,0,0,0,1|1,0,0]=3 574 B14R1.2879 CC(C)C1=CC=C(C=C1)CC(=O)CCl Z3579510120 [0,1,0,0,0,1|2,0,0]=4 575 B14R1.2879 CC(C)C1=CC=C(C=C1)NC(=O)CCl Z56896166 [0,1,0,0,0,1|2,0,0]=4 576 B14R1.2879 CCC(=O)NC1=CC=C(C=C1)C(=O)O Z85880334 [0,1,0,0,0,1|2,0,0]=4 577 B14R1.2879 CCC(C)NC1=CC=C(C=C1)C(=O)N Z334919138 [0,1,0,0,0,1|2,0,0]=4 578 B14R1.2879 CCC(C)OC1=CC=C(C=C1)C(=O)O Z57243688 [0,1,0,0,0,1|1,0,0]=3 579 B14R1.2879 CN(C)C1=CC=C(C=C1)NC(=O)CCl Z1562121940 [0,1,0,0,0,1|1,0,0]=3 580 B14R1.2879 CNC(=O)CC1=CC=C(C=C1)C(=O)O Z3690357341 [0,1,0,0,0,1|2,0,0]=4 581 B14R1.2879 CNC(=O)NC1=CC=C(C=C1)C(=O)O Z763651592 [0,1,0,0,0,1|2,0,0]=4 582 B14R1.2879 COC(=O)CC1=CC=C(C=C1)C(=O)C Z847500522 [0,1,0,0,0,1|2,0,0]=4 583 B14R1.2879 COC(=O)CC1=CC=C(C=C1)C(=O)O Z1198661961 [0,1,0,0,0,1|2,0,0]=4 584 B14R1.2879 COC(=O)NC1=CC=C(C=C1)C(=O)O Z192948760 [0,1,0,0,0,1|2,0,0]=4 585 B14R1.2879 COC(=O)OC1=CC=C(C=C1)C(=O)C Z56757229 [0,1,0,0,0,1|2,0,0]=4 586 B14R1.2879 O=C(CCl)NC1=CC=C(C=C1)C(=O)O Z56889406 [0,1,0,0,0,1|2,0,0]=4 587 B14R1.5801 CC(=O)NC1=CC(=C(C=C1)C(=O)O)Cl Z816002218 [0,1,0,0,0,1|2,0,0]=4 588 B14R1.5801 CC(=O)NC1=CC(=C(C=C1)C(=O)O)F Z1255375392 [0,1,0,0,0,1|2,0,0]=4 589 B14R1.5801 CC(C)OC1=CC(=C(C=C1)C(=O)O)Cl Z1042085062 [0,1,0,0,0,1|1,0,0]=3 590 B14R1.5801 CC1=C(C=CC(=C1)NC(C)C)C(=O)N Z1104856356 [0,1,0,0,0,1|2,0,0]=4 591 B14R1.6402 CC(=O)C1=CC=C(C=C1)C(=O)N(C)C Z1171658806 [0,1,0,0,0,1|1,0,0]=3 592 B14R1.6402 CC(=O)N(C)C1=CC=C(C=C1)C(=O)O Z1262515023 [0,1,0,0,0,1|2,0,0]=4 593 B14R1.6402 CC(C(=O)O)C1=CC=C(C=C1)N(C)C Z792363902 [0,1,0,0,0,1|0,0,0]=2 594 B14R1.6402 CC(C)N(C)C1=CC=C(C=C1)C(=O)O Z1270387217 [0,1,0,0,0,1|1,0,0]=3 595 B14R1.6402 CC(C)S(=O)C1=CC=C(C=C1)C(=O)O Z228034650 [0,1,0,0,0,1|1,0,0]=3 596 B14R1.6402 CN(C)C(=O)C1=CC=C(C=C1)B(O)O Z1255458076 [0,1,0,0,0,1|1,0,1]=4 597 B14R1.6402 CN(C)C(=O)C1=CC=C(C=C1)C(=O)O Z425332786 [0,1,0,0,0,1|0,0,0]=2 598 B14R1.6402 CN(C)C(=O)C1=CN=C(C=C1)C(=O)O Z295228412 [0,1,0,0,0,1|1,0,0]=3 599 B14R1.43 CCC1=C(C=CC(=N1)C(C)C)C(=O)O Z2216303069 [0,2,0,0,0,0|2,0,0]=4 600 B14R1.43 CN(C)C1=C(C=C(C=C1)C(=O)O)C=O Z2867581776 [0,2,0,0,0,0|0,0,0]=2 601 B14R1.43 CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C=O Z57727225 [0,2,0,0,0,0|1,0,1]=4 602 B14R1.43 CN(C)C1=CC(=C(C=C1)C(=O)O)C=O Z1262545869 [0,2,0,0,0,0|0,0,0]=2 603 B14R1.747 CCC(C)C1=CC=C(C(=O)N1)C(=O)O Z839026558 [0,2,0,0,0,0|2,0,0]=4 604 B14R1.747 COC(=O)C1=CC(=C(C=C1)C(=O)C)C Z1198314889 [0,2,0,0,0,0|2,0,0]=4 605 B14R1.747 COC(=O)C1=CC(=C(C=C1)C(=O)O)Cl Z1416179515 [0,2,0,0,0,0|2,0,0]=4 606 B14R1.747 COC(=O)C1=CC(=C(C=C1)C(=O)O)F Z1262517125 [0,2,0,0,0,0|2,0,0]=4 607 B14R1.747 COC(=O)C1=CC(=C(C=C1)C(C)C)N Z1262627938 [0,2,0,0,0,0|1,0,0]=3 608 B14R1.1128 CNC(=O)C1=C(C=C(C=C1)N(C)C)F Z1497330165 [0,2,0,0,0,0|1,0,0]=3 609 B14R1.1128 COC(=O)C1=C(C=C(C=C1)C(=O)C)C Z1862015875 [0,2,0,0,0,0|2,0,0]=4 610 B14R1.1128 COC(=O)C1=C(C=C(C=C1)C(=O)O)Br Z1269171741 [0,2,0,0,0,0|2,0,0]=4 611 B14R1.1128 COC(=O)C1=C(C=C(C=C1)C(=O)O)F Z1262515384 [0,2,0,0,0,0|2,0,0]=4 612 B14R1.1128 COC(=O)C1=C(C=C(C=C1)N(C)C)O Z3244939955 [0,2,0,0,0,0|0,0,0]=2 613 B14R1.1128 COC(=O)C1=CNC(=NC1=N)N(C)C Z1708089816 [0,2,0,0,0,0|2,0,0]=4 614 B14R1.4227 CC(C)(C)C1=CC(=C(C=C1)C(=O)O)N Z1188031178 [0,2,0,0,0,0|1,0,0]=3 615 B14R1.4227 CC(C)(C)C1=NC(=C(C=C1)C(=O)O)Cl Z1269167817 [0,2,0,0,0,0|2,0,0]=4 616 B14R1.4227 CC1=C(C=CC(=C1)C(C)(C)C)C(=O)O Z1201625407 [0,2,0,0,0,0|1,0,0]=3 617 B14R1.4227 CN(C)C1=C(C=C(C=C1)S(=O)(=O)N)N Z57980662 [0,2,0,0,0,0|1,0,1]=4 618 B14R1.4227 CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)N Z1269205919 [0,2,0,0,0,0|2,0,0]=4 619 B14R1.6039 CC(C)(C)C1=C(C=C(C=C1)C(=O)O)Cl Z1455445263 [0,2,0,0,0,0|1,0,0]=3 620 B14R1.6039 CS(=O)(=O)C1=C(C=C(C=C1)C(=O)O)Br Z1269204989 [0,2,0,0,0,0|2,0,0]=4 621 B14R1.307 CC(C)(C#N)C1=CC=C(C=C1)C(=O)O Z1255366114 [0,2,0,0,0,0|1,0,0]=3 622 B14R1.307 CCC(C)(C)C1=CC=C(C=C1)C(=O)O Z1198218373 [0,2,0,0,0,0|1,0,0]=3 623 B14R1.307 CCS(=O)(=O)C1=CC=C(C=C1)C(=O)O Z228037846 [0,2,0,0,0,0|2,0,0]=4 624 B14R1.307 CNS(=O)(=O)C1=CC=C(C=C1)C(=O)O Z53038396 [0,2,0,0,0,0|2,0,0]=4 625 B14R1.307 NCC(F)(F)C1=CC=C(C=C1)C(=O)O Z4613029574 [0,2,0,0,0,0|2,0,0]=4 626 B14R1.719 C#CC(=O)C1=CC=C(C=C1)C(C)(C)C Z1763802775 [0,2,0,0,0,0|2,0,0]=4 627 B14R1.719 CC(C)(C)C1=CC=C(C=C1)C(=O)CCl Z56891292 [0,2,0,0,0,0|2,0,0]=4 628 B14R1.719 CC(C)(C)C1=CC=C(C=C1)C(=O)NN Z57206656 [0,2,0,0,0,0|2,0,0]=4 629 B14R1.719 COC(=O)C1=CC=C(C=C1)C(C)(C)C Z19722468 [0,2,0,0,0,0|1,0,0]=3 630 B14R1.719 COC(=O)C1=CC=C(C=C1)C(C)(C)N Z3247248834 [0,2,0,0,0,0|1,0,0]=3 631 B14R1.719 COC(=O)C1=CC=C(C=C1)S(=O)(=O)C Z17305687 [0,2,0,0,0,0|2,0,0]=4 632 B14R1.3332 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)O Z56818709 [0,2,0,0,0,0|2,0,0]=4 633 B14R1.395 CCN(CC)C1=CC=C(C=C1)C(=O)O Z104476068 [0,2,0,0,0,0|0,0,0]=2 634 B14R1.395 CCN(CC)C1=NC=C(C=C1)C(=O)O Z330796124 [0,2,0,0,0,0|1,0,0]=3 635 B14R1.610 CC(C)C1=CC=C(C=C1)C(=O)CC#N Z56347067 [0,2,0,0,0,0|2,0,0]=4 636 B14R1.610 CCCN(C)C1=CC=C(C=C1)C(=O)O Z1259041050 [0,2,0,0,0,0|0,0,0]=2 637 B14R1.610 CCCN(C)C1=NC=C(C=C1)C(=O)O Z409203408 [0,2,0,0,0,0|1,0,0]=3 638 B14R1.610 CCOC(=O)C1=CC=C(C=C1)C(=O)C Z104474458 [0,2,0,0,0,0|2,0,0]=4 639 B14R1.610 CCOC(=O)C1=CC=C(C=C1)C(=O)O Z1198153982 [0,2,0,0,0,0|2,0,0]=4 640 B14R1.610 CN(CCO)C1=CC=C(C=C1)[N+](=O)[O-] Z31205911 [0,2,0,0,0,0|1,0,1]=4 641 B14R1.718 CCC(=O)C1=CC=C(C=C1)C(=O)OC Z1255388533 [0,2,0,0,0,0|2,0,0]=4 642 B14R1.718 CCC(C)C1=CC=C(C=C1)C(=O)CCl Z56891222 [0,2,0,0,0,0|2,0,0]=4 643 B14R1.718 CN(C=O)C1=CC=C(C=C1)C(=O)CCl Z382815780 [0,2,0,0,0,0|1,0,1]=4 644 B14R1.718 CNC(=O)C1=CC=C(C=C1)C(=O)OC Z32016769 [0,2,0,0,0,0|2,0,0]=4 645 B14R1.718 COC(=O)C1=CC=C(C=C1)C(=O)CCl Z1508664971 [0,2,0,0,0,0|2,0,0]=4 646 B14R1.718 COC(=O)C1=CC=C(C=C1)C(=O)OC Z16251478 [0,2,0,0,0,0|2,0,0]=4 647 B14R1.718 COC(=O)C1=CC=C(C=C1)C(N)CO Z2787651357 [0,2,0,0,0,0|2,0,0]=4 648 B12R1.389 CN(C)CC1=CC=C(N1)C(=O)O Z3033510964 [0,0,1,1,0,0|1,0,1]=4 649 B12R2.9 O=CC1=CC=C(C=C1)C2CC2 Z992239772 [1,0,0,1,0,0|1,0,0]=3 650 B12R2.9 O=CC1=CN=C(C=C1)C2CC2 Z1255503250 [1,0,0,1,0,0|2,0,0]=4 651 B12R2.1384 O=C(O)C1=CC2=C(C=C1)CC2 Z1205494871 [1,0,0,1,0,0|1,0,0]=3 652 B12R2.251 O=C(O)C1=CC(=CS1)C2CC2 Z1416198755 [0,0,0,1,1,0|2,0,0]=4 653 B12R2.251 O=C(O)C1=CC=C(S1)C2CC2 Z992239760 [0,0,0,1,1,0|2,0,0]=4 654 B14R2.601 CC(=O)C1=CC2=C(C=C1)NC(=O)O2 Z381350958 [0,0,0,1,0,1|2,0,0]=4 655 B14R2.601 CC(N)C1=CC2=C(C=C1)NC(=O)O2 Z2739025457 [0,0,0,1,0,1|2,0,0]=4 656 B14R2.601 CC1=CC2=C(O1)C=C(C=C2)C(=O)O Z1262519623 [0,0,0,1,0,1|2,0,0]=4 657 B14R2.601 CC1=CC2=C(S1)C=CC(=C2)C(=O)O Z1255363025 [0,0,0,1,0,1|1,0,1]=4 658 B14R2.601 CC1=NC2=C(N1)C=CC(=C2)C(=O)O Z1622825549 [0,0,0,1,0,1|2,0,0]=4 659 B14R2.601 CC1=NC2=C(O1)C=C(C=C2)C(=O)O Z1198175088 [0,0,0,1,0,1|2,0,0]=4 660 B14R2.601 CC1=NC2=C(O1)C=CC(=C2)C(=O)O Z1198224457 [0,0,0,1,0,1|2,0,0]=4 661 B14R2.601 CC1=NC2=C(S1)C=C(C=C2)C(=O)O Z1201624118 [0,0,0,1,0,1|2,0,0]=4 662 B14R2.601 CC1CC2=C(O1)C=CC(=C2)C(=O)O Z57952782 [0,0,0,1,0,1|1,0,0]=3 663 B14R2.601 CN(C)C1=CC2=C(C=C1)N=C(N2)O Z3064089912 [0,0,0,1,0,1|1,0,0]=3 664 B14R2.601 CN1C=C2C=C(C=CC2=N1)C(=O)O Z1255392740 [0,0,0,1,0,1|0,0,1]=3 665 B14R2.601 CN1C=C2C=CC(=CC2=N1)C(=O)O Z1255388877 [0,0,0,1,0,1|1,0,0]=3 666 B14R2.601 CN1CC2=C(C1)C=C(C=C2)C(=O)O Z3217362728 [0,0,0,1,0,1|0,0,0]=2 667 B14R2.601 NC1CC2=C(C1)C=C(C=C2)C(=O)O Z1508939334 [0,0,0,1,0,1|2,0,0]=4 668 B14R2.601 O=C1CC2=C(N1)C=CC(=C2)C(=O)O Z285150648 [0,0,0,1,0,1|2,0,0]=4 669 B14R2.1006 O=C(O)CC1=CC=C(C=C1)C2CC2 Z1198727367 [0,0,0,1,0,1|1,0,0]=3 670 B14R2.9474 CC(=O)C1=CC=C(C=C1)OC2CC2 Z1255421918 [0,0,0,1,0,1|2,0,0]=4 671 B14R2.9474 O=C(O)C1=CC=C(C=C1)CC2CC2 Z1262559215 [0,0,0,1,0,1|1,0,0]=3 672 B14R2.9474 O=C(O)C1=CC=C(C=C1)OC2CC2 Z1255358859 [0,0,0,1,0,1|1,0,0]=3 673 B14R2.9474 O=C(O)C1=CC=C(C=C1)SC2CC2 Z1262558216 [0,0,0,1,0,1|1,0,0]=3 674 B14R2.9474 O=C(O)C1=CN=C(C=C1)NC2CC2 Z330796236 [0,0,0,1,0,1|2,0,0]=4 675 B14R2.4349 CC1=C(C=CC(=C1)C2CC2)C(=O)O Z1262528680 [0,1,0,1,0,0|1,0,0]=3 676 B14R2.4349 CC1=C(C=CC(=N1)C2CC2)C(=O)O Z2218555821 [0,1,0,1,0,0|2,0,0]=4 677 B14R2.4349 CC1=C(C=NC(=C1)C2CC2)C(=O)O Z2961500752 [0,1,0,1,0,0|2,0,0]=4 678 B14R2.4349 CC1=C(N=CC(=C1)C2CC2)C(=O)O Z4768276495 [0,1,0,1,0,0|2,0,0]=4 679 B14R2.4349 O=C(O)C1=C(C=C(C=N1)C2CC2)F Z1278924868 [0,1,0,1,0,0|2,0,0]=4 680 B14R2.4349 O=C(O)C1=CC=C(NC1=O)C2CC2 Z839026842 [0,1,0,1,0,0|2,0,0]=4 681 B14R2.5719 CC(=O)C1=CC2=C(C=C1)N(N=C2)C Z1255357259 [0,1,0,1,0,0|1,0,1]=4 682 B14R2.5719 CC1=NNC2=C1C=CC(=C2)C(=O)O Z4639407863 [0,1,0,1,0,0|2,0,0]=4 683 B14R2.5719 CC1=NOC2=C1C=CC(=C2)C(=O)O Z1262557158 [0,1,0,1,0,0|2,0,0]=4 684 B14R2.5719 CN1C=CC2=C1N=CC(=C2)C(=O)O Z1198306540 [0,1,0,1,0,0|1,0,1]=4 685 B14R2.5719 CN1C=NC2=C1C=CC(=C2)C(=O)O Z356293884 [0,1,0,1,0,0|0,0,1]=3 686 B14R2.5719 CN1C=NC2=C1N=CC(=C2)C(=O)O Z1201625976 [0,1,0,1,0,0|1,0,1]=4 687 B14R2.5719 CN1CCC2=C1C=CC(=C2)C(=O)O Z951175606 [0,1,0,1,0,0|0,0,0]=2 688 B14R2.5719 CN1N=CC2=C1C=CC(=C2)C(=O)N Z4918227714 [0,1,0,1,0,0|1,0,1]=4 689 B14R2.5719 CN1N=CC2=C1N=CC(=C2)C(=O)O Z875036244 [0,1,0,1,0,0|1,0,1]=4 690 B14R2.5719 CN1N=NC2=C1C=CC(=C2)C(=O)O Z327223644 [0,1,0,1,0,0|1,0,0]=3 691 B14R2.5719 CN1N=NC2=C1N=CC(=C2)C(=O)O Z1198369144 [0,1,0,1,0,0|2,0,0]=4 692 B14R2.5719 O=C(O)C1=CC2=C(C=C1)B(OC2)O Z1888380472 [0,1,0,1,0,0|2,0,0]=4 693 B14R2.5719 O=C(O)C1=CC2=C(C=C1)C(=O)CC2 Z1198162049 [0,1,0,1,0,0|2,0,0]=4 694 B14R2.5719 O=C(O)C1=CC2=C(C=C1)C(=O)NC2 Z1255432661 [0,1,0,1,0,0|2,0,0]=4 695 B14R2.9476 CC1(CC1)C2=CC=C(C=C2)C(=O)O Z1198168671 [0,1,0,1,0,0|1,0,0]=3 696 B14R2.964 COC(=O)C1=CC=C(C=C1)C2CO2 Z1020679950 [0,1,0,1,0,0|2,0,0]=4 697 B14R2.964 O=C(CCl)C1=CC=C(C=C1)C2CC2 Z3267823186 [0,1,0,1,0,0|2,0,0]=4 698 B14R2.9475 O=C(O)C1=CC=C(C=C1)C2CCC2 Z1251414965 [0,1,0,1,0,0|1,0,0]=3 699 B14R2.9475 O=C(O)C1=CN=C(C=C1)N2CCC2 Z1278925492 [0,1,0,1,0,0|1,0,0]=3 700 B10R1.31 CC(C)C1=CC=C(S1)C=O Z1416177549 [1,0,0,0,1,0|2,0,0]=4 701 B10R1.31 CC(C)N1C=CC(=C1)C=O Z1201625737 [1,0,0,0,1,0|2,0,0]=4 702 B10R1.31 CCC1=CC=C(N1)C(=O)O Z1416166268 [1,0,0,0,1,0|2,0,0]=4 703 B10R1.31 CCC1=CC=C(O1)C(=O)O Z57564911 [1,0,0,0,1,0|2,0,0]=4 704 B10R1.31 CCC1=CNC(=C1)C(=O)O Z3243445142 [1,0,0,0,1,0|2,0,0]=4 705 B10R1.31 CN(C)C1=CC=C(S1)C=O Z90122611 [1,0,0,0,1,0|1,0,0]=3 706 B10R1.31 CN(C)C1=NC=C(S1)C=O Z727778768 [1,0,0,0,1,0|2,0,0]=4 707 B10R1.31 CNC1=NC(=CS1)C(=O)O Z756096506 [1,0,0,0,1,0|2,0,0]=4 708 B10R1.31 CNC1=NC=C(O1)C(=O)O Z2732452967 [1,0,0,0,1,0|2,0,0]=4 709 B10R1.31 CNC1=NC=C(S1)C(=O)O Z1413687885 [1,0,0,0,1,0|2,0,0]=4 710 B10R1.31 COC1=CC=C(S1)C(=O)O Z1198160366 [1,0,0,0,1,0|2,0,0]=4 711 B10R1.31 COC1=CSC(=C1)C(=O)O Z335442452 [1,0,0,0,1,0|2,0,0]=4 712 B10R1.31 CSC1=CC(=CO1)C(=O)O Z2408373903 [1,0,0,0,1,0|2,0,0]=4 713 B10R1.31 CSC1=CC=C(O1)C(=O)O Z963425062 [1,0,0,0,1,0|2,0,0]=4 714 B10R1.31 CSC1=CC=C(S1)C(=O)O Z1201619509 [1,0,0,0,1,0|2,0,0]=4 715 B12R1.4 CC(=O)NC1=CC=C(C=C1)C=O Z104472864 [1,0,0,0,0,1|2,0,0]=4 716 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O Z57887890 [1,0,0,0,0,1|2,0,0]=4 717 B12R1.4 CC(C)CC1=CC=C(C=C1)C=O Z385369920 [1,0,0,0,0,1|1,0,0]=3 718 B12R1.4 CC(C)CC1=CC=C(C=C1)CO Z385370338 [1,0,0,0,0,1|1,0,1]=4 719 B12R1.4 CC(C)CC1=NC=C(C=C1)C=O Z2732484016 [1,0,0,0,0,1|2,0,0]=4 720 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O Z53833127 [1,0,0,0,0,1|1,0,0]=3 721 B12R1.4 CC(C)OC1=CC=C(C=C1)CO Z54549633 [1,0,0,0,0,1|1,0,1]=4 722 B12R1.4 CC(C)OC1=NC=C(C=C1)C=O Z1198172232 [1,0,0,0,0,1|2,0,0]=4 723 B12R1.4 CC(C)SC1=CC=C(C=C1)CO Z1157828975 [1,0,0,0,0,1|1,0,1]=4 724 B12R1.4 CC(O)CC1=CC=C(C=C1)C=O Z1511913303 [1,0,0,0,0,1|2,0,0]=4 725 B12R1.4 CCC1=CC=C(C=C1)CC(=O)O Z274782844 [1,0,0,0,0,1|1,0,0]=3 726 B12R1.4 CCC1=CC=C(C=C1)NC(=O)C Z30917832 [1,0,0,0,0,1|2,0,0]=4 727 B12R1.4 CN(C)CC1=CC=C(C=C1)C#N Z54750053 [1,0,0,0,0,1|1,0,1]=4 728 B12R1.4 CN(C)CC1=CC=C(C=C1)C=O Z1065726000 [1,0,0,0,0,1|0,0,0]=2 729 B12R1.4 CN(C)CC1=CC=C(C=C1)CO Z336081024 [1,0,0,0,0,1|0,0,1]=3 730 B12R1.4 CNC1=CC=C(C=C1)NC(=O)C Z335252368 [1,0,0,0,0,1|1,0,0]=3 731 B12R1.4 COC1=CC=C(C=C1)CC(=O)N Z33546648 [1,0,0,0,0,1|2,0,0]=4 732 B12R1.4 COC1=CC=C(C=C1)CC(=O)O Z104476074 [1,0,0,0,0,1|1,0,0]=3 733 B12R1.4 COC1=CC=C(C=C1)NC(=O)C Z28138902 [1,0,0,0,0,1|2,0,0]=4 734 B12R1.4 COC1=CC=C(C=C1)NC(=O)N Z56754681 [1,0,0,0,0,1|2,0,0]=4 735 B12R1.4 COC1=CC=C(C=C1)OC(=O)C Z30195429 [1,0,0,0,0,1|2,0,0]=4 736 B12R1.4 COC1=CN=C(C=C1)CC(=O)O Z1913661249 [1,0,0,0,0,1|2,0,0]=4 737 B12R1.4 CSC1=CC=C(C=C1)CC(=O)O Z1212966448 [1,0,0,0,0,1|1,0,0]=3 738 B12R1.4 CSC1=CC=C(C=C1)NC(=O)C Z25066204 [1,0,0,0,0,1|2,0,0]=4 739 B12R1.4 N#CC1=CC=C(C=C1)CC(=O)O Z362118788 [1,0,0,0,0,1|2,0,0]=4 740 B12R1.4 O=CC1=CC=C(C=C1)CC(=O)O Z1198269767 [1,0,0,0,0,1|2,0,0]=4 741 B12R1.258 CC(=O)C1=CC(=CC=C1)C(=O)O Z1203161684 [0,0,0,0,1,1|2,0,0]=4 742 B12R1.258 CC(=O)C1=CC(=CN=C1)C(=O)O Z1255382323 [0,0,0,0,1,1|2,0,0]=4 743 B12R1.258 CC(C)C1=CC(=CC=C1)C(=O)O Z1171158000 [0,0,0,0,1,1|1,0,0]=3 744 B12R1.258 CC(C)C1=CC(=CN=C1)C(=O)O Z3854252237 [0,0,0,0,1,1|1,0,0]=3 745 B12R1.258 CC(C)C1=NC(=CC=C1)C(=O)O Z1255449261 [0,0,0,0,1,1|2,0,0]=4 746 B12R1.258 CN(C)C1=CC(=CC=C1)B(O)O Z1741975737 [0,0,0,0,1,1|1,0,1]=4 747 B12R1.258 CN(C)C1=CC(=CC=C1)C(=O)O Z104476962 [0,0,0,0,1,1|0,0,0]=2 748 B12R1.258 CN(C)C1=CC(=CN=C1)C(=O)O Z1198165176 [0,0,0,0,1,1|0,0,0]=2 749 B12R1.258 CN(C)C1=CC(=NC=C1)C(=O)O Z234895477 [0,0,0,0,1,1|0,0,0]=2 750 B12R1.258 CN(C)C1=NC=CC(=C1)C(=O)O Z285782398 [0,0,0,0,1,1|0,0,0]=2 751 B12R1.258 CS(=O)C1=CC(=CC=C1)C(=O)O Z1198340914 [0,0,0,0,1,1|2,0,0]=4 752 B14R1.419 CC(=O)/C=C/C1=CC=C(C=C1)N(C)C Z234853610 [0,0,0,0,0,2|1,0,0]=3 753 B14R1.419 CC(=O)C1=CC=C(C=C1)/N=C/N(C)C Z55888331 [0,0,0,0,0,2|1,0,0]=3 754 B14R1.419 CC(=O)C1=CC=C(C=C1)OCC(=O)O Z56900769 [0,0,0,0,0,2|2,0,0]=4 755 B14R1.419 CC(=O)C1=CC=C(C=C1)OCC(C)C Z53832964 [0,0,0,0,0,2|2,0,0]=4 756 B14R1.419 CC(=O)C1=CC=C(C=C1)SCC(=O)O Z443257116 [0,0,0,0,0,2|2,0,0]=4 757 B14R1.419 CC(=O)NCC1=CC=C(C=C1)C(=O)O Z71394357 [0,0,0,0,0,2|2,0,0]=4 758 B14R1.419 CC(=O)NCC1=CN=C(C=C1)N(C)C Z367103228 [0,0,0,0,0,2|2,0,0]=4 759 B14R1.419 CC(=O)OCC1=CC=C(C=C1)C(=O)O Z54580268 [0,0,0,0,0,2|2,0,0]=4 760 B14R1.419 CC(C)C1=CC=C(C=C1)/C=C/C(=O)O Z2311574705 [0,0,0,0,0,2|1,0,0]=3 761 B14R1.419 CC(C)C1=CC=C(C=C1)CCC(=O)N Z274795168 [0,0,0,0,0,2|2,0,0]=4 762 B14R1.419 CC(C)C1=CC=C(C=C1)CCC(=O)O Z169914022 [0,0,0,0,0,2|1,0,0]=3 763 B14R1.419 CC(C)C1=CC=C(C=C1)OCC(=O)O Z57396918 [0,0,0,0,0,2|1,0,0]=3 764 B14R1.419 CC(C)C1=CC=C(C=C1)SCC(=O)O Z239812086 [0,0,0,0,0,2|1,0,0]=3 765 B14R1.419 CC(C)COC1=CC=C(C=C1)C(=O)O Z56862705 [0,0,0,0,0,2|1,0,0]=3 766 B14R1.419 CC(C)COC1=NC=C(C=C1)C(=O)O Z285179302 [0,0,0,0,0,2|2,0,0]=4 767 B14R1.419 CC(C)OCC1=CC=C(C=C1)C(=O)O Z85917617 [0,0,0,0,0,2|1,0,0]=3 768 B14R1.419 CC(N)COC1=CC=C(C=C1)C(=O)O Z4321086593 [0,0,0,0,0,2|2,0,0]=4 769 B14R1.419 CN(C)C1=CC=C(C=C1)/C=C/C(=O)O Z2942851546 [0,0,0,0,0,2|0,0,0]=2 770 B14R1.419 CN(C)C1=CC=C(C=C1)/C=C/[N+](=O)[O-] Z56880483 [0,0,0,0,0,2|1,0,1]=4 771 B14R1.419 CN(C)C1=CC=C(C=C1)CCC(=O)O Z99599548 [0,0,0,0,0,2|0,0,0]=2 772 B14R1.419 CN(C)C1=NC=C(C=C1)CCC(=O)O Z4014729929 [0,0,0,0,0,2|1,0,0]=3 773 B14R1.419 CN(C)CCC1=CC=C(C=C1)B(O)O Z2378827740 [0,0,0,0,0,2|1,0,1]=4 774 B14R1.419 CN(C)CCC1=CC=C(C=C1)C(=O)O Z2197092514 [0,0,0,0,0,2|0,0,0]=2 775 B14R1.805 CC(=O)NC1=CC=C(C=C1)CC(=O)O Z90122510 [0,0,0,0,0,2|2,0,0]=4 776 B14R1.805 CC(=O)OC1=CC=C(C=C1)CC(=O)O Z1255442303 [0,0,0,0,0,2|2,0,0]=4 777 B14R1.805 CC(C)CC1=CC=C(C=C1)CC(=O)O Z94602147 [0,0,0,0,0,2|1,0,0]=3 778 B14R1.805 CC(C)OC1=CC=C(C=C1)CC(=O)O Z227753968 [0,0,0,0,0,2|1,0,0]=3