0 B11R1.3 C#CC1=CC=C(C=C1)B(O)O Z3227053030 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.3 C#CC1=CC=C(C=C1)C(=O)N Z1203579154 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.3 C#CC1=CC=C(C=C1)[N+](=O)[O-] Z431535574 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.3 C#CC1=CN=C(C=C1)C(=O)O Z1069125932 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.3 C=CC1=CC=C(C=C1)B(O)O Z1255403096 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.3 C=CC1=CC=C(C=C1)C(=O)N Z1203578780 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N Z56820417 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.3 CC(=O)C1=CC=C(C=C1)CN Z3018118044 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.3 CC(O)C1=CC=C(C=C1)C#N Z335245074 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.3 CCC1=CC=C(C=C1)B(O)O Z336079952 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.3 CCC1=CC=C(C=C1)C(=N)N Z1268152427 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.3 CCC1=CC=C(C=C1)C(=O)O Z104478474 [0,0,0,0,0,0|1,0,0]=1 12 B11R1.3 CCC1=CC=C(C=C1)C(=S)N Z57989304 [0,0,0,0,0,0|2,1,0]=3 13 B11R1.3 CCC1=CC=C(C=C1)C(C)N Z56347251 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.3 CCC1=CC=C(C=C1)[C@H](C)N Z1536943321 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.3 CCC1=CN=C(C=C1)C(=O)O Z3693286572 [0,0,0,0,0,0|2,0,0]=2 16 B11R1.3 CCC1=NC=C(C=C1)C(=O)O Z5589439234 [0,0,0,0,0,0|2,0,0]=2 17 B11R1.3 CNC1=CC=C(C=C1)C(=N)N Z1815149179 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.3 CNC1=CC=C(C=C1)C(=O)C Z1082871512 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.3 CNC1=CC=C(C=C1)C(=O)N Z744754554 [0,0,0,0,0,0|2,0,0]=2 20 B11R1.3 CNC1=CC=C(C=C1)C(=O)O Z727574068 [0,0,0,0,0,0|1,0,0]=1 21 B11R1.3 CNC1=CC=C(C=C1)C(C)C Z1431904364 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.3 CNC1=CN=C(C=C1)C(=O)O Z1498958162 [0,0,0,0,0,0|2,0,0]=2 23 B11R1.3 CNC1=CN=C(C=C1)[N+](=O)[O-] Z31222773 [0,0,0,0,0,0|3,0,1]=4 24 B11R1.3 CNC1=NC=C(C=C1)B(O)O Z3235039200 [0,0,0,0,0,0|3,0,1]=4 25 B11R1.3 CNC1=NC=C(C=C1)C(=O)N Z960186538 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.3 CNC1=NC=C(C=C1)C(=O)O Z330796292 [0,0,0,0,0,0|2,0,0]=2 27 B11R1.3 CNC1=NC=C(C=C1)[N+](=O)[O-] Z238434802 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.3 CNC1=NC=C(N=C1)C(=O)O Z1217204103 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.3 COC1=CC=C(C=C1)B(O)O Z336079536 [0,0,0,0,0,0|1,0,1]=2 30 B11R1.3 COC1=CC=C(C=C1)C(=N)N Z228583094 [0,0,0,0,0,0|2,0,0]=2 31 B11R1.3 COC1=CC=C(C=C1)C(=O)C Z53832960 [0,0,0,0,0,0|1,0,0]=1 32 B11R1.3 COC1=CC=C(C=C1)C(=O)N Z33546492 [0,0,0,0,0,0|1,0,0]=1 33 B11R1.3 COC1=CC=C(C=C1)C(=O)O Z56931884 [0,0,0,0,0,0|0,0,0]=0 34 B11R1.3 COC1=CC=C(C=C1)C(=S)N Z56964598 [0,0,0,0,0,0|1,1,0]=2 35 B11R1.3 COC1=CC=C(C=C1)C(C)O Z335245134 [0,0,0,0,0,0|1,0,1]=2 36 B11R1.3 COC1=CC=C(C=C1)N(C)C Z57243982 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O Z360055358 [0,0,0,0,0,0|1,0,1]=2 38 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O Z360055354 [0,0,0,0,0,0|1,0,1]=2 39 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] Z31131411 [0,0,0,0,0,0|1,0,1]=2 40 B11R1.3 COC1=CN=C(C=C1)C(=N)N Z1255420591 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.3 COC1=CN=C(N=C1)C(=O)O Z1255462743 [0,0,0,0,0,0|2,0,0]=2 42 B11R1.3 COC1=NC=C(C=C1)B(O)O Z858028390 [0,0,0,0,0,0|2,0,1]=3 43 B11R1.3 COC1=NC=C(C=C1)C(=N)N Z594272030 [0,0,0,0,0,0|3,0,0]=3 44 B11R1.3 COC1=NC=C(C=C1)C(=O)O Z135188086 [0,0,0,0,0,0|1,0,0]=1 45 B11R1.3 COC1=NC=C(C=C1)C(C)N Z3083124760 [0,0,0,0,0,0|3,0,1]=4 46 B11R1.3 COC1=NC=C(C=N1)B(O)O Z1201622058 [0,0,0,0,0,0|3,0,1]=4 47 B11R1.3 COC1=NC=C(C=N1)C(=O)O Z274574982 [0,0,0,0,0,0|2,0,0]=2 48 B11R1.3 COC1=NC=C(N=C1)C(=N)N Z3778988390 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.3 COC1=NN=C(C=C1)C(=O)O Z502287048 [0,0,0,0,0,0|2,0,0]=2 50 B11R1.3 CS(=O)C1=CC=C(C=C1)C=O Z1184878668 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.3 CS(=O)C1=CC=C(C=C1)CN Z1269182102 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.3 CSC1=CC=C(C=C1)B(O)O Z381540922 [0,0,0,0,0,0|1,1,1]=3 53 B11R1.3 CSC1=CC=C(C=C1)C(=N)N Z1267881768 [0,0,0,0,0,0|2,1,0]=3 54 B11R1.3 CSC1=CC=C(C=C1)C(=O)C Z57036277 [0,0,0,0,0,0|1,1,0]=2 55 B11R1.3 CSC1=CC=C(C=C1)C(=O)O Z57989066 [0,0,0,0,0,0|0,1,0]=1 56 B11R1.3 CSC1=CC=C(C=C1)C(C)N Z425449608 [0,0,0,0,0,0|2,1,1]=4 57 B11R1.3 CSC1=NC=C(C=C1)C(=O)O Z732206884 [0,0,0,0,0,0|1,1,0]=2 58 B11R1.3 N#CC1=CC=C(C=C1)B(O)O Z915380662 [0,0,0,0,0,0|3,0,1]=4 59 B11R1.3 N#CC1=CC=C(C=C1)C(=O)N Z33546655 [0,0,0,0,0,0|3,0,0]=3 60 B11R1.3 N#CC1=CC=C(C=C1)C(=O)O Z104476114 [0,0,0,0,0,0|2,0,0]=2 61 B11R1.3 N#CC1=CC=C(C=C1)[N+](=O)[O-] Z57756571 [0,0,0,0,0,0|3,0,1]=4 62 B11R1.3 N#CC1=CN=C(C=C1)C(=O)N Z1147474196 [0,0,0,0,0,0|4,0,0]=4 63 B11R1.3 N#CC1=CN=C(C=C1)C(=O)O Z1148282290 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.3 N#CC1=CN=C(C=N1)C(=O)O Z1416192764 [0,0,0,0,0,0|4,0,0]=4 65 B11R1.3 N#CC1=NC=C(C=C1)C(=O)O Z1079167854 [0,0,0,0,0,0|3,0,0]=3 66 B11R1.3 N#CC1=NN=C(C=C1)C(=O)O Z2350423963 [0,0,0,0,0,0|4,0,0]=4 67 B11R1.3 NC(=O)C1=CC=C(C=C1)C=O Z316909626 [0,0,0,0,0,0|3,0,0]=3 68 B11R1.3 NC(=O)C1=CC=C(C=C1)CCl Z154669306 [0,0,0,0,0,0|3,0,0]=3 69 B11R1.3 NC(=O)C1=CC=C(C=C1)CO Z33545420 [0,0,0,0,0,0|3,0,0]=3 70 B11R1.3 NCC1=CC=C(C=C1)B(O)O Z1741960674 [0,0,0,0,0,0|3,0,1]=4 71 B11R1.3 NCC1=CC=C(C=C1)C(=O)N Z57036329 [0,0,0,0,0,0|3,0,0]=3 72 B11R1.3 NCC1=CC=C(C=C1)[N+](=O)[O-] Z1259155974 [0,0,0,0,0,0|3,0,1]=4 73 B11R1.3 NCC1=CN=C(C=C1)C(=O)O Z2887729927 [0,0,0,0,0,0|3,0,0]=3 74 B11R1.3 NCC1=NC=C(C=C1)C(=O)O Z2901372939 [0,0,0,0,0,0|3,0,0]=3 75 B11R1.3 NCC1=NC=C(C=N1)C(=O)O Z2689776730 [0,0,0,0,0,0|4,0,0]=4 76 B11R1.3 NNC1=CC=C(C=C1)C(=O)O Z56957167 [0,0,0,0,0,0|2,0,0]=2 77 B11R1.3 NNC1=NC=C(C=C1)C(=O)O Z955123478 [0,0,0,0,0,0|3,0,0]=3 78 B11R1.3 O=C(O)C1=CC=C(C=C1)CBr Z55993105 [0,0,0,0,0,0|2,0,0]=2 79 B11R1.3 O=C(O)C1=CC=C(C=C1)CCl Z111868896 [0,0,0,0,0,0|2,0,0]=2 80 B11R1.3 O=C(O)C1=CC=C(C=C1)CO Z56917404 [0,0,0,0,0,0|2,0,0]=2 81 B11R1.3 O=C(O)C1=CC=C(C=C1)CS Z57989315 [0,0,0,0,0,0|2,0,0]=2 82 B11R1.3 O=C(O)C1=NC=C(C=C1)CO Z3015401233 [0,0,0,0,0,0|3,0,0]=3 83 B11R1.3 O=CC1=CC=C(C=C1)B(O)O Z819251758 [0,0,0,0,0,0|3,0,1]=4 84 B11R1.3 O=CC1=CC=C(C=C1)C(=O)O Z104475878 [0,0,0,0,0,0|2,0,0]=2 85 B11R1.3 O=CC1=CC=C(C=C1)[N+](=O)[O-] Z57772464 [0,0,0,0,0,0|3,0,1]=4 86 B11R1.3 O=CC1=CN=C(C=C1)C(=O)O Z1198311044 [0,0,0,0,0,0|3,0,0]=3 87 B11R1.3 O=[N+]([O-])C1=CC=C(C=C1)CBr Z56757346 [0,0,0,0,0,0|3,0,1]=4 88 B11R1.3 O=[N+]([O-])C1=CC=C(C=C1)CCl Z56938009 [0,0,0,0,0,0|3,0,1]=4 89 B11R1.3 OB(O)C1=CC=C(C=C1)CBr Z1269236418 [0,0,0,0,0,0|3,0,1]=4 90 B11R1.3 OCC1=CC=C(C=C1)B(O)O Z1203162320 [0,0,0,0,0,0|3,0,1]=4 91 B10R1.3 C#CC1=CC=C(C=C1)C=O Z1203159515 [1,0,0,0,0,0|1,0,1]=3 92 B10R1.3 C#CC1=CC=C(C=C1)CC Z1080385542 [1,0,0,0,0,0|2,0,1]=4 93 B10R1.3 C#CC1=CC=C(C=C1)CO Z1255489573 [1,0,0,0,0,0|1,0,2]=4 94 B10R1.3 C#CC1=NC=C(C=C1)C=O Z1255384622 [1,0,0,0,0,0|2,0,1]=4 95 B10R1.3 C#CC1=NC=C(C=C1)OC Z1255436508 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.3 C=CC1=CC=C(C=C1)C=O Z1198150327 [1,0,0,0,0,0|1,0,1]=3 97 B10R1.3 CCC1=CC=C(C=C1)C#N Z57900361 [1,0,0,0,0,0|2,0,1]=4 98 B10R1.3 CCC1=CC=C(C=C1)C=O Z104477712 [1,0,0,0,0,0|1,0,0]=2 99 B10R1.3 CCC1=CC=C(C=C1)CN Z239626560 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.3 CCC1=CN=C(C=C1)C=O Z1198235245 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.3 CCC1=CN=C(N=C1)C=O Z3243083127 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.3 CCC1=NC=C(C=C1)C=O Z1255494858 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.3 CCC1=NC=C(C=N1)C=O Z274575084 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.3 CNC1=CC=C(C=C1)C#N Z331873490 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.3 CNC1=CC=C(C=C1)C=O Z1203730934 [1,0,0,0,0,0|1,0,0]=2 106 B10R1.3 CNC1=CC=C(C=C1)CN Z954985428 [1,0,0,0,0,0|2,0,1]=4 107 B10R1.3 CNC1=CC=C(C=C1)OC Z335282780 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.3 CNC1=CC=C(C=C1)SC Z335261640 [1,0,0,0,0,0|2,1,0]=4 109 B10R1.3 CNC1=CN=C(C=C1)OC Z335249570 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.3 CNC1=NC=C(C=C1)OC Z1255359415 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.3 CNC1=NC=C(C=N1)C=O Z274575552 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.3 COC1=CC=C(C=C1)C#N Z53834531 [1,0,0,0,0,0|1,0,1]=3 113 B10R1.3 COC1=CC=C(C=C1)C=O Z53833125 [1,0,0,0,0,0|0,0,0]=1 114 B10R1.3 COC1=CC=C(C=C1)CO Z54603098 [1,0,0,0,0,0|0,0,1]=2 115 B10R1.3 COC1=CC=C(C=C1)CS Z1255360358 [1,0,0,0,0,0|0,1,1]=3 116 B10R1.3 COC1=CC=C(C=C1)OC Z53833835 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.3 COC1=CN=C(C=C1)C=O Z1198176556 [1,0,0,0,0,0|1,0,0]=2 118 B10R1.3 COC1=CN=C(N=C1)C=O Z1198277529 [1,0,0,0,0,0|2,0,0]=3 119 B10R1.3 COC1=NC=C(C=C1)C#N Z212050236 [1,0,0,0,0,0|2,0,1]=4 120 B10R1.3 COC1=NC=C(C=C1)C=O Z1255356725 [1,0,0,0,0,0|1,0,0]=2 121 B10R1.3 COC1=NC=C(C=C1)CO Z800297984 [1,0,0,0,0,0|1,0,1]=3 122 B10R1.3 COC1=NC=C(C=N1)C=O Z274574980 [1,0,0,0,0,0|2,0,0]=3 123 B10R1.3 COC1=NN=C(C=C1)C=O Z1198278266 [1,0,0,0,0,0|2,0,0]=3 124 B10R1.3 CSC1=CC=C(C=C1)C#N Z57900348 [1,0,0,0,0,0|1,1,1]=4 125 B10R1.3 CSC1=CC=C(C=C1)C=O Z104478194 [1,0,0,0,0,0|0,1,0]=2 126 B10R1.3 CSC1=CC=C(C=C1)CCl Z56347089 [1,0,0,0,0,0|1,1,1]=4 127 B10R1.3 CSC1=CC=C(C=C1)CN Z54751956 [1,0,0,0,0,0|1,1,1]=4 128 B10R1.3 N#CC1=CC=C(C=C1)C=O Z104478052 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.3 N#CC1=CC=C(C=C1)CO Z335244916 [1,0,0,0,0,0|2,0,1]=4 130 B10R1.3 N#CC1=CN=C(C=C1)C=O Z1255495682 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.3 NCC1=CC=C(C=C1)C=O Z2418414207 [1,0,0,0,0,0|2,0,0]=3 132 B10R1.3 NCC1=CC=C(C=C1)CO Z385458374 [1,0,0,0,0,0|2,0,1]=4 133 B10R1.3 O=CC1=CC=C(C=C1)C=O Z104478582 [1,0,0,0,0,0|2,0,0]=3 134 B10R1.3 O=CC1=CC=C(C=C1)CBr Z1201624503 [1,0,0,0,0,0|2,0,0]=3 135 B10R1.3 O=CC1=CC=C(C=C1)CCl Z1198151895 [1,0,0,0,0,0|2,0,0]=3 136 B10R1.3 O=CC1=CC=C(C=C1)CF Z1255498899 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.3 O=CC1=CC=C(C=C1)CO Z1255384176 [1,0,0,0,0,0|2,0,0]=3 138 B10R1.13 CC(=O)C1=CC=C(C=C1)Br Z57127459 [1,0,0,0,0,0|2,0,0]=3 139 B10R1.13 CC(=O)C1=CC=C(C=C1)C Z57127458 [1,0,0,0,0,0|1,0,0]=2 140 B10R1.13 CC(=O)C1=CC=C(C=C1)Cl Z57127462 [1,0,0,0,0,0|2,0,0]=3 141 B10R1.13 CC(=O)C1=CC=C(C=C1)F Z57127466 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.13 CC(=O)C1=CC=C(C=C1)I Z57073725 [1,0,0,0,0,0|2,0,0]=3 143 B10R1.13 CC(=O)C1=CC=C(C=C1)N Z57127377 [1,0,0,0,0,0|2,0,0]=3 144 B10R1.13 CC(=O)C1=CC=C(C=C1)O Z57040434 [1,0,0,0,0,0|1,0,0]=2 145 B10R1.13 CC(=O)C1=CN=C(C=C1)Br Z1269224642 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl Z1201622182 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.13 CC(=O)C1=CN=C(C=C1)F Z1198173101 [1,0,0,0,0,0|3,0,0]=4 148 B10R1.13 CC(=O)C1=NC=C(C=C1)Br Z1945984212 [1,0,0,0,0,0|3,0,0]=4 149 B10R1.13 CC(=O)C1=NC=C(C=C1)Cl Z1198173098 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.13 CC(=O)C1=NC=C(C=C1)F Z1575143877 [1,0,0,0,0,0|3,0,0]=4 151 B10R1.13 CC(C)C1=CC=C(C=C1)O Z56347200 [1,0,0,0,0,0|2,0,1]=4 152 B10R1.13 CC(N)C1=CC=C(C=C1)O Z1741968989 [1,0,0,0,0,0|2,0,1]=4 153 B10R1.13 CC(O)C1=CC=C(C=C1)Br Z335244904 [1,0,0,0,0,0|2,0,1]=4 154 B10R1.13 CC(O)C1=CC=C(C=C1)Cl Z104479788 [1,0,0,0,0,0|2,0,1]=4 155 B10R1.13 CC(O)C1=CC=C(C=C1)F Z56347219 [1,0,0,0,0,0|2,0,1]=4 156 B10R1.13 CC(O)C1=CC=C(C=C1)I Z228586282 [1,0,0,0,0,0|2,0,1]=4 157 B10R1.13 CC1=CC=C(C=C1)B(O)O Z336079532 [1,0,0,0,0,0|1,0,1]=3 158 B10R1.13 CC1=CC=C(C=C1)C(=N)N Z1405445841 [1,0,0,0,0,0|2,0,0]=3 159 B10R1.13 CC1=CC=C(C=C1)C(=O)O Z57902424 [1,0,0,0,0,0|0,0,0]=1 160 B10R1.13 CC1=CC=C(C=C1)C(=S)N Z56939152 [1,0,0,0,0,0|1,1,0]=3 161 B10R1.13 CC1=CC=C(C=C1)C(C)C Z104497772 [1,0,0,0,0,0|2,0,1]=4 162 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O Z1127664396 [1,0,0,0,0,0|1,0,1]=3 163 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O Z1127664278 [1,0,0,0,0,0|1,0,1]=3 164 B10R1.13 CC1=CC=C(C=C1)[N+](=O)[O-] Z104476692 [1,0,0,0,0,0|1,0,1]=3 165 B10R1.13 CC1=CC=C(C=C1)[S-](=O)=O Z104501328 [1,0,0,0,0,0|1,0,1]=3 166 B10R1.13 CC1=CN=C(C=C1)C(=O)O Z1511494596 [1,0,0,0,0,0|1,0,0]=2 167 B10R1.13 CC1=CN=C(N=C1)C(=O)O Z1198261922 [1,0,0,0,0,0|2,0,0]=3 168 B10R1.13 CC1=NC=C(C=C1)B(O)O Z3244835500 [1,0,0,0,0,0|2,0,1]=4 169 B10R1.13 CC1=NC=C(C=C1)C(=O)N Z57493539 [1,0,0,0,0,0|2,0,0]=3 170 B10R1.13 CC1=NC=C(C=C1)C(=O)O Z235485476 [1,0,0,0,0,0|1,0,0]=2 171 B10R1.13 CC1=NC=C(N=C1)C(=O)O Z104478058 [1,0,0,0,0,0|2,0,0]=3 172 B10R1.13 CC1=NN=C(C=C1)C(=O)O Z1198232969 [1,0,0,0,0,0|2,0,0]=3 173 B10R1.13 CN(C)C1=CC=C(C=C1)O Z137981254 [1,0,0,0,0,0|3,0,0]=4 174 B10R1.13 CS(=O)C1=CC=C(C=C1)N Z609944508 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)Br Z850973968 [1,0,0,0,0,0|2,0,1]=4 176 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)I Z360055808 [1,0,0,0,0,0|2,0,1]=4 177 B10R1.13 C[C@H](N)C1=CC=C(C=C1)O Z3183546879 [1,0,0,0,0,0|2,0,1]=4 178 B10R1.13 C[C@H](O)C1=CC=C(C=C1)Br Z850973970 [1,0,0,0,0,0|2,0,1]=4 179 B10R1.13 C[C@H](O)C1=CC=C(C=C1)I Z360055806 [1,0,0,0,0,0|2,0,1]=4 180 B10R1.13 N=C(N)C1=CC=C(C=C1)Br Z1263602346 [1,0,0,0,0,0|3,0,0]=4 181 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl Z56771179 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.13 N=C(N)C1=CC=C(C=C1)F Z2289798423 [1,0,0,0,0,0|3,0,0]=4 183 B10R1.13 N=C(N)C1=CC=C(C=C1)I Z2574914411 [1,0,0,0,0,0|3,0,0]=4 184 B10R1.13 N=C(N)C1=CC=C(C=C1)O Z1262398570 [1,0,0,0,0,0|2,0,0]=3 185 B10R1.13 NC(=O)C1=CC=C(C=C1)Br Z33546526 [1,0,0,0,0,0|2,0,0]=3 186 B10R1.13 NC(=O)C1=CC=C(C=C1)F Z33546459 [1,0,0,0,0,0|2,0,0]=3 187 B10R1.13 NC(=O)C1=CC=C(C=C1)I Z33546486 [1,0,0,0,0,0|2,0,0]=3 188 B10R1.13 NC(=O)C1=CC=C(C=C1)N Z104474782 [1,0,0,0,0,0|2,0,0]=3 189 B10R1.13 NC(=O)C1=CC=C(C=C1)O Z104502228 [1,0,0,0,0,0|1,0,0]=2 190 B10R1.13 NC(=O)C1=CN=C(C=C1)Cl Z33546654 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.13 NC(=O)C1=CN=C(C=C1)F Z1183725924 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.13 NC(=O)C1=CN=C(C=C1)N Z959893184 [1,0,0,0,0,0|3,0,0]=4 193 B10R1.13 NC(=O)C1=CNC(=O)C=C1 Z220564282 [1,0,0,0,0,0|2,0,1]=4 194 B10R1.13 NC(=O)C1=NC=C(C=C1)Br Z1065600734 [1,0,0,0,0,0|3,0,0]=4 195 B10R1.13 NC(=O)C1=NC=C(C=C1)I Z1269145218 [1,0,0,0,0,0|3,0,0]=4 196 B10R1.13 NC(=O)C1=NC=C(C=C1)N Z1116403989 [1,0,0,0,0,0|3,0,0]=4 197 B10R1.13 NC(=S)C1=CC=C(C=C1)Br Z56964597 [1,0,0,0,0,0|2,1,0]=4 198 B10R1.13 NC(=S)C1=CC=C(C=C1)Cl Z57070431 [1,0,0,0,0,0|2,1,0]=4 199 B10R1.13 NC(=S)C1=CC=C(C=C1)N Z234895465 [1,0,0,0,0,0|2,1,0]=4 200 B10R1.13 NC(=S)C1=CC=C(C=C1)O Z90124534 [1,0,0,0,0,0|1,1,0]=3 201 B10R1.13 NC1=CC=C(C=C1)B(O)O Z1741970842 [1,0,0,0,0,0|2,0,1]=4 202 B10R1.13 NC1=CC=C(C=C1)C(=O)O Z57127446 [1,0,0,0,0,0|1,0,0]=2 203 B10R1.13 NC1=CC=C(C=C1)[N+](=O)[O-] Z275127984 [1,0,0,0,0,0|2,0,1]=4 204 B10R1.13 NC1=CN=C(C=C1)C(=O)O Z1649677869 [1,0,0,0,0,0|2,0,0]=3 205 B10R1.13 NC1=NC=C(C=C1)C(=O)O Z90122558 [1,0,0,0,0,0|2,0,0]=3 206 B10R1.13 NC1=NC=C(C=N1)C(=O)O Z274575484 [1,0,0,0,0,0|3,0,0]=4 207 B10R1.13 NC1=NN=C(C=C1)C(=O)O Z502337450 [1,0,0,0,0,0|3,0,0]=4 208 B10R1.13 O=C(Cl)C1=CN=C(C=C1)Cl Z1255461313 [1,0,0,0,0,0|3,0,0]=4 209 B10R1.13 O=C(F)C1=CN=C(C=C1)F Z2471610470 [1,0,0,0,0,0|3,0,0]=4 210 B10R1.13 O=C(O)C1=CC=C(C=C1)Br Z57127530 [1,0,0,0,0,0|1,0,0]=2 211 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl Z104473324 [1,0,0,0,0,0|1,0,0]=2 212 B10R1.13 O=C(O)C1=CC=C(C=C1)F Z57367354 [1,0,0,0,0,0|1,0,0]=2 213 B10R1.13 O=C(O)C1=CC=C(C=C1)I Z57636572 [1,0,0,0,0,0|1,0,0]=2 214 B10R1.13 O=C(O)C1=CC=C(C=C1)O Z104498098 [1,0,0,0,0,0|0,0,0]=1 215 B10R1.13 O=C(O)C1=CC=C(C=C1)S Z223639246 [1,0,0,0,0,0|0,1,0]=2 216 B10R1.13 O=C(O)C1=CN=C(C=C1)Br Z1258919772 [1,0,0,0,0,0|2,0,0]=3 217 B10R1.13 O=C(O)C1=CN=C(C=C1)Cl Z104476110 [1,0,0,0,0,0|2,0,0]=3 218 B10R1.13 O=C(O)C1=CN=C(C=C1)F Z1182395505 [1,0,0,0,0,0|2,0,0]=3 219 B10R1.13 O=C(O)C1=CN=C(C=C1)O Z104500708 [1,0,0,0,0,0|1,0,0]=2 220 B10R1.13 O=C(O)C1=CN=C(N=C1)Br Z1721259410 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.13 O=C(O)C1=CN=C(N=C1)Cl Z1143448915 [1,0,0,0,0,0|3,0,0]=4 222 B10R1.13 O=C(O)C1=CN=C(N=C1)S Z1255444934 [1,0,0,0,0,0|2,1,0]=4 223 B10R1.13 O=C(O)C1=NC=C(C=C1)Br Z972791012 [1,0,0,0,0,0|2,0,0]=3 224 B10R1.13 O=C(O)C1=NC=C(C=C1)Cl Z1201622823 [1,0,0,0,0,0|2,0,0]=3 225 B10R1.13 O=C(O)C1=NC=C(C=C1)I Z1069125846 [1,0,0,0,0,0|2,0,0]=3 226 B10R1.13 O=C(O)C1=NC=C(C=N1)F Z1255362185 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.13 O=C(O)C1=NC=C(N=C1)Br Z1269171110 [1,0,0,0,0,0|3,0,0]=4 228 B10R1.13 O=C(O)C1=NC=C(N=C1)Cl Z1201624906 [1,0,0,0,0,0|3,0,0]=4 229 B10R1.13 O=C(O)C1=NN=C(C=C1)Br Z815272140 [1,0,0,0,0,0|3,0,0]=4 230 B10R1.13 O=C(O)C1=NN=C(C=C1)Cl Z589015292 [1,0,0,0,0,0|3,0,0]=4 231 B10R1.13 O=C1C=CC(=CO1)C(=O)O Z104472302 [1,0,0,0,0,0|1,0,1]=3 232 B10R1.13 O=C1C=CC(=NN1)C(=O)O Z56878668 [1,0,0,0,0,0|2,0,1]=4 233 B10R1.13 O=P(O)C1=CC=C(C=C1)Cl Z56798029 [1,0,0,0,0,0|2,0,0]=3 234 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)Br Z104474532 [1,0,0,0,0,0|2,0,1]=4 235 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)Cl Z104474568 [1,0,0,0,0,0|2,0,1]=4 236 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)I Z56924538 [1,0,0,0,0,0|2,0,1]=4 237 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O Z57127483 [1,0,0,0,0,0|1,0,1]=3 238 B10R1.13 OB(O)C1=CC=C(C=C1)Br Z1169350731 [1,0,0,0,0,0|2,0,1]=4 239 B10R1.13 OB(O)C1=CC=C(C=C1)Cl Z295122658 [1,0,0,0,0,0|2,0,1]=4 240 B10R1.13 OB(O)C1=CC=C(C=C1)F Z381540956 [1,0,0,0,0,0|2,0,1]=4 241 B10R1.13 OB(O)C1=CC=C(C=C1)O Z336080006 [1,0,0,0,0,0|1,0,1]=3 242 B12R1.5 C#CC1=CC=C(C=C1)C(=O)CCl Z1262485899 [0,1,0,0,0,0|2,0,1]=4 243 B12R1.5 C#CC1=CC=C(C=C1)C(=O)OC Z1198151571 [0,1,0,0,0,0|1,0,1]=3 244 B12R1.5 C#CC1=NC=C(C=C1)C(=O)OC Z1122484055 [0,1,0,0,0,0|2,0,1]=4 245 B12R1.5 C=C(CO)C1=CC=C(C=C1)OC Z1896425058 [0,1,0,0,0,0|1,0,0]=2 246 B12R1.5 C=CC1=CC=C(C=C1)C(=O)CCl Z1999524831 [0,1,0,0,0,0|2,0,1]=4 247 B12R1.5 CCC(=O)C1=CC=C(C=C1)C#N Z1251353904 [0,1,0,0,0,0|3,0,0]=4 248 B12R1.5 CCC(=O)C1=CC=C(C=C1)CC Z285137084 [0,1,0,0,0,0|2,0,0]=3 249 B12R1.5 CCC(N)C1=CC=C(C=C1)OC Z85929849 [0,1,0,0,0,0|2,0,1]=4 250 B12R1.5 CCC(O)C1=CC=C(C=C1)OC Z228586320 [0,1,0,0,0,0|1,0,1]=3 251 B12R1.5 CCC1=CC=C(C=C1)/C(=N/O)/N Z104442610 [0,1,0,0,0,0|2,0,0]=3 252 B12R1.5 CCC1=CC=C(C=C1)C(=O)CCl Z56881220 [0,1,0,0,0,0|2,0,0]=3 253 B12R1.5 CCC1=CC=C(C=C1)C(=O)NN Z56926664 [0,1,0,0,0,0|2,0,0]=3 254 B12R1.5 CCC1=CC=C(C=C1)C(C)C=O Z1255424702 [0,1,0,0,0,0|2,0,1]=4 255 B12R1.5 CNC(=O)C1=CC=C(C=C1)C#N Z32016559 [0,1,0,0,0,0|3,0,0]=4 256 B12R1.5 CNC(=O)C1=CC=C(C=C1)C=O Z235353065 [0,1,0,0,0,0|3,0,0]=4 257 B12R1.5 CNC(=O)C1=CC=C(C=C1)CN Z234893745 [0,1,0,0,0,0|3,0,0]=4 258 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC Z32016396 [0,1,0,0,0,0|1,0,0]=2 259 B12R1.5 CNC(=O)C1=CC=C(C=C1)SC Z51983114 [0,1,0,0,0,0|1,1,0]=3 260 B12R1.5 CNC(C)C1=CC=C(C=C1)OC Z239628826 [0,1,0,0,0,0|2,0,1]=4 261 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC Z3014412034 [0,1,0,0,0,0|1,0,0]=2 262 B12R1.5 CNC1=NC=C(C=N1)C(=O)OC Z1939439656 [0,1,0,0,0,0|3,0,0]=4 263 B12R1.5 CNC1=NN=C(C=C1)C(=O)OC Z502405672 [0,1,0,0,0,0|3,0,0]=4 264 B12R1.5 COC(=O)C1=CC=C(C=C1)C#N Z18372983 [0,1,0,0,0,0|2,0,0]=3 265 B12R1.5 COC(=O)C1=CC=C(C=C1)C=O Z18297598 [0,1,0,0,0,0|2,0,0]=3 266 B12R1.5 COC(=O)C1=CC=C(C=C1)CBr Z57358719 [0,1,0,0,0,0|2,0,0]=3 267 B12R1.5 COC(=O)C1=CC=C(C=C1)CN Z56839665 [0,1,0,0,0,0|2,0,0]=3 268 B12R1.5 COC(=O)C1=CC=C(C=C1)CO Z25262776 [0,1,0,0,0,0|2,0,0]=3 269 B12R1.5 COC(=O)C1=CN=C(C=C1)C#N Z1198265899 [0,1,0,0,0,0|3,0,0]=4 270 B12R1.5 COC(=O)C1=CN=C(C=C1)C=O Z1139751256 [0,1,0,0,0,0|3,0,0]=4 271 B12R1.5 COC(=O)C1=CN=C(C=C1)CN Z1993522701 [0,1,0,0,0,0|3,0,0]=4 272 B12R1.5 COC(=O)C1=CN=C(C=C1)CO Z1139751257 [0,1,0,0,0,0|3,0,0]=4 273 B12R1.5 COC(=O)C1=NC=C(C=C1)C#N Z1153263089 [0,1,0,0,0,0|3,0,0]=4 274 B12R1.5 COC(=O)C1=NC=C(C=C1)C=O Z4858117581 [0,1,0,0,0,0|3,0,0]=4 275 B12R1.5 COC(=O)C1=NC=C(C=C1)CN Z2065616400 [0,1,0,0,0,0|3,0,0]=4 276 B12R1.5 COC(=O)C1=NC=C(N=C1)OC Z1255434649 [0,1,0,0,0,0|2,0,0]=3 277 B12R1.5 COC1=CC=C(C=C1)/C(=N/O)/N Z57169545 [0,1,0,0,0,0|1,0,0]=2 278 B12R1.5 COC1=CC=C(C=C1)C(=O)CCl Z56945957 [0,1,0,0,0,0|1,0,0]=2 279 B12R1.5 COC1=CC=C(C=C1)C(=O)CO Z228585822 [0,1,0,0,0,0|0,0,0]=1 280 B12R1.5 COC1=CC=C(C=C1)C(=O)NN Z57199662 [0,1,0,0,0,0|1,0,0]=2 281 B12R1.5 COC1=CC=C(C=C1)C(=O)NO Z59181957 [0,1,0,0,0,0|0,0,0]=1 282 B12R1.5 COC1=CC=C(C=C1)C(C)C=O Z1255380175 [0,1,0,0,0,0|1,0,1]=3 283 B12R1.5 COC1=CC=C(C=C1)C(N)CO Z1263714101 [0,1,0,0,0,0|1,0,1]=3 284 B12R1.5 COC1=CC=C(C=C1)[C@H](C)C=O Z1511751525 [0,1,0,0,0,0|1,0,1]=3 285 B12R1.5 CSC1=CC=C(C=C1)C(=O)C=O Z2289798581 [0,1,0,0,0,0|0,1,1]=3 286 B12R1.5 CSC1=CC=C(C=C1)C(=O)CCl Z104493412 [0,1,0,0,0,0|1,1,0]=3 287 B12R1.5 CSC1=CC=C(C=C1)C(C)C=O Z1511826610 [0,1,0,0,0,0|1,1,1]=4 288 B12R1.5 N#CC1=CC=C(C=C1)C(=O)CBr Z104496340 [0,1,0,0,0,0|3,0,0]=4 289 B12R1.5 N#CC1=CC=C(C=C1)C(=O)CCl Z854066922 [0,1,0,0,0,0|3,0,0]=4 290 B12R1.5 NCC1=CC=C(C=C1)C(=O)NO Z2065616423 [0,1,0,0,0,0|2,0,0]=3 291 B12R1.6 CCC1=CC=C(C=C1)S(=O)(=O)C Z1198163251 [0,1,0,0,0,0|2,0,1]=4 292 B12R1.6 CCC1=CC=C(C=C1)S(=O)(=O)Cl Z104505328 [0,1,0,0,0,0|2,0,1]=4 293 B12R1.6 CCC1=CC=C(C=C1)S(=O)(=O)F Z1198321297 [0,1,0,0,0,0|2,0,1]=4 294 B12R1.6 CCC1=CC=C(C=C1)S(=O)(=O)N Z57902253 [0,1,0,0,0,0|2,0,1]=4 295 B12R1.6 CNC1=CC=C(C=C1)S(=O)(=O)C Z335272338 [0,1,0,0,0,0|2,0,1]=4 296 B12R1.6 COC1=CC=C(C=C1)C(C)(C)O Z449374328 [0,1,0,0,0,0|1,0,1]=3 297 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)C Z196125820 [0,1,0,0,0,0|1,0,1]=3 298 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)Cl Z56860355 [0,1,0,0,0,0|1,0,1]=3 299 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)N Z45415561 [0,1,0,0,0,0|1,0,1]=3 300 B12R1.6 COC1=CN=C(C=C1)S(=O)(=O)F Z3016191975 [0,1,0,0,0,0|2,0,1]=4 301 B12R1.6 COC1=NC=C(C=C1)S(=O)(=O)N Z1198180944 [0,1,0,0,0,0|2,0,1]=4 302 B12R1.6 NCC1=CC=C(C=C1)P(=O)(O)O Z5346316246 [0,1,0,0,0,0|3,0,0]=4 303 B12R1.6 NNC1=CC=C(C=C1)S(=O)(=O)O Z56776891 [0,1,0,0,0,0|3,0,0]=4 304 B12R1.48 C#CC1=C(C=C(C=C1)C(=O)O)C Z1617995655 [0,1,0,0,0,0|1,0,1]=3 305 B12R1.48 CC(=O)C1=CC(=C(C=C1)C#N)F Z1198275545 [0,1,0,0,0,0|3,0,0]=4 306 B12R1.48 CC1=C(C=CC(=N1)C(=O)O)C#N Z359500776 [0,1,0,0,0,0|3,0,0]=4 307 B12R1.48 CC1=C(C=NC(=C1)C(=O)O)C#N Z1681362991 [0,1,0,0,0,0|3,0,0]=4 308 B12R1.48 CC1=C(C=NC(=C1)C(=O)O)C=O Z1813345405 [0,1,0,0,0,0|3,0,0]=4 309 B12R1.48 CC1=C(C=NC(=C1)C(=O)O)CO Z3491165711 [0,1,0,0,0,0|3,0,0]=4 310 B12R1.48 CC1=C(N=CC(=C1)C(=O)O)C#N Z2311104650 [0,1,0,0,0,0|3,0,0]=4 311 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)Cl Z1255376027 [0,1,0,0,0,0|1,0,0]=2 312 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)F Z1255438299 [0,1,0,0,0,0|1,0,0]=2 313 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)N Z1079174536 [0,1,0,0,0,0|1,0,0]=2 314 B12R1.48 CCC1=C(C=C(C=C1)[N+](=O)[O-])O Z3247263630 [0,1,0,0,0,0|2,0,1]=4 315 B12R1.48 CCN1C=CC(=CC1=O)C(=O)O Z1201626394 [0,1,0,0,0,0|2,0,0]=3 316 B12R1.48 CNC1=C(C=C(C=C1)C(=O)O)F Z995130308 [0,1,0,0,0,0|1,0,0]=2 317 B12R1.48 CNC1=C(C=C(C=C1)C(=O)O)N Z1945708092 [0,1,0,0,0,0|1,0,0]=2 318 B12R1.48 CNC1=C(C=C(C=C1)[N+](=O)[O-])N Z425800964 [0,1,0,0,0,0|2,0,1]=4 319 B12R1.48 CNC1=C(C=C(C=N1)C(=O)O)N Z5260886074 [0,1,0,0,0,0|2,0,0]=3 320 B12R1.48 COC1=C(C=C(C=C1)B(O)O)C Z415732504 [0,1,0,0,0,0|1,0,1]=3 321 B12R1.48 COC1=C(C=C(C=C1)B(O)O)Cl Z381541100 [0,1,0,0,0,0|1,0,1]=3 322 B12R1.48 COC1=C(C=C(C=C1)B(O)O)F Z57073895 [0,1,0,0,0,0|1,0,1]=3 323 B12R1.48 COC1=C(C=C(C=C1)C(=N)N)Cl Z2452277009 [0,1,0,0,0,0|2,0,0]=3 324 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)Br Z57042009 [0,1,0,0,0,0|1,0,0]=2 325 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)C Z415732058 [0,1,0,0,0,0|1,0,0]=2 326 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)Cl Z331027654 [0,1,0,0,0,0|1,0,0]=2 327 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)F Z85921976 [0,1,0,0,0,0|1,0,0]=2 328 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)O Z1255365043 [0,1,0,0,0,0|1,0,0]=2 329 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)Br Z101186024 [0,1,0,0,0,0|1,0,0]=2 330 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)F Z87615059 [0,1,0,0,0,0|1,0,0]=2 331 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)N Z239125322 [0,1,0,0,0,0|1,0,0]=2 332 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br Z57663652 [0,1,0,0,0,0|0,0,0]=1 333 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Cl Z57790676 [0,1,0,0,0,0|0,0,0]=1 334 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)F Z57169536 [0,1,0,0,0,0|0,0,0]=1 335 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)I Z57200689 [0,1,0,0,0,0|0,0,0]=1 336 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)N Z274783176 [0,1,0,0,0,0|0,0,0]=1 337 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)O Z381356676 [0,1,0,0,0,0|0,0,0]=1 338 B12R1.48 COC1=C(C=C(C=C1)C(C)C)O Z1255440315 [0,1,0,0,0,0|2,0,1]=4 339 B12R1.48 COC1=C(C=C(C=C1)C(C)O)Cl Z756121270 [0,1,0,0,0,0|1,0,1]=3 340 B12R1.48 COC1=C(C=C(C=C1)C(C)O)F Z220335558 [0,1,0,0,0,0|1,0,1]=3 341 B12R1.48 COC1=C(C=C(C=C1)[C@@H](C)O)Br Z360056130 [0,1,0,0,0,0|1,0,1]=3 342 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])N Z56782014 [0,1,0,0,0,0|1,0,1]=3 343 B12R1.48 COC1=C(C=C(C=N1)C(=O)C)Cl Z1255495809 [0,1,0,0,0,0|2,0,0]=3 344 B12R1.48 COC1=C(C=C(C=N1)C(=O)O)Br Z1269152701 [0,1,0,0,0,0|1,0,0]=2 345 B12R1.48 COC1=C(N=C(C=C1)C(=O)O)Cl Z1198174178 [0,1,0,0,0,0|1,0,0]=2 346 B12R1.48 COC1=CNC(=CC1=O)C(=O)O Z1198280174 [0,1,0,0,0,0|1,0,0]=2 347 B12R1.48 COC1=COC(=CC1=O)C(=O)O Z1198280173 [0,1,0,0,0,0|1,0,0]=2 348 B12R1.48 CSC1=C(C=C(C=C1)C(=O)C)F Z732207810 [0,1,0,0,0,0|1,1,0]=3 349 B12R1.48 N#CC1=C(C=C(C=C1)C(=O)O)Cl Z1255430722 [0,1,0,0,0,0|2,0,0]=3 350 B12R1.48 N#CC1=C(C=C(C=C1)C(=O)O)O Z1255367441 [0,1,0,0,0,0|2,0,0]=3 351 B12R1.48 N#CC1=C(C=C(C=N1)C(=O)O)Br Z1269132343 [0,1,0,0,0,0|3,0,0]=4 352 B12R1.48 N#CC1=C(N=C(C=C1)C(=O)O)Cl Z1255434383 [0,1,0,0,0,0|3,0,0]=4 353 B12R1.48 NCC1=C(C=C(C=C1)C(=O)O)Br Z2901372894 [0,1,0,0,0,0|2,0,0]=3 354 B12R1.48 NCC1=C(C=C(C=C1)C(=O)O)F Z4679492911 [0,1,0,0,0,0|2,0,0]=3 355 B12R1.48 NCC1=C(C=C(C=C1)C(=O)O)O Z3413989910 [0,1,0,0,0,0|2,0,0]=3 356 B12R1.48 O=C(O)C1=CC(=C(C=C1)CO)Cl Z1551918094 [0,1,0,0,0,0|2,0,0]=3 357 B12R1.48 O=C(O)C1=CC(=C(C=C1)CO)F Z1080722404 [0,1,0,0,0,0|2,0,0]=3 358 B12R1.48 O=C(O)C1=CC(=C(C=C1)CS)F Z381364016 [0,1,0,0,0,0|2,0,0]=3 359 B12R1.48 O=CC1=C(C=C(C=C1)C(=O)O)Cl Z1262534327 [0,1,0,0,0,0|2,0,0]=3 360 B12R1.48 O=CC1=C(C=C(C=C1)C(=O)O)O Z1255365429 [0,1,0,0,0,0|2,0,0]=3 361 B12R1.48 O=CC1=C(C=C(C=N1)C(=O)O)F Z1278924336 [0,1,0,0,0,0|3,0,0]=4 362 B12R1.113 CC(=O)C1=CC=C(C=C1)N=C=S Z56899102 [0,1,0,0,0,0|2,0,1]=4 363 B12R1.113 CCCC1=CC=C(C=C1)B(O)O Z336079950 [0,1,0,0,0,0|2,0,1]=4 364 B12R1.113 CCCC1=CC=C(C=C1)C(=O)O Z285150282 [0,1,0,0,0,0|1,0,0]=2 365 B12R1.113 CCCC1=CC=C(C=C1)[C@@H](C)O Z360056068 [0,1,0,0,0,0|2,0,1]=4 366 B12R1.113 CCNC1=CC=C(C=C1)C(=O)O Z381340222 [0,1,0,0,0,0|1,0,0]=2 367 B12R1.113 CCOC1=CC=C(C=C1)B(O)O Z336079910 [0,1,0,0,0,0|1,0,1]=3 368 B12R1.113 CCOC1=CC=C(C=C1)C(=N)N Z1262327405 [0,1,0,0,0,0|2,0,0]=3 369 B12R1.113 CCOC1=CC=C(C=C1)C(=O)C Z53832961 [0,1,0,0,0,0|1,0,0]=2 370 B12R1.113 CCOC1=CC=C(C=C1)C(=O)N Z33546681 [0,1,0,0,0,0|1,0,0]=2 371 B12R1.113 CCOC1=CC=C(C=C1)C(=O)O Z56759338 [0,1,0,0,0,0|0,0,0]=1 372 B12R1.113 CCOC1=CC=C(C=C1)C(=S)N Z56953071 [0,1,0,0,0,0|1,1,0]=3 373 B12R1.113 CCOC1=CC=C(C=C1)C(C)N Z203884180 [0,1,0,0,0,0|2,0,1]=4 374 B12R1.113 CCOC1=CC=C(C=C1)S(=O)[O-] Z2111525259 [0,1,0,0,0,0|1,0,1]=3 375 B12R1.113 CCOC1=CC=C(C=C1)[C@@H](C)O Z360055638 [0,1,0,0,0,0|1,0,1]=3 376 B12R1.113 CCOC1=CC=C(C=C1)[C@H](C)O Z360055632 [0,1,0,0,0,0|1,0,1]=3 377 B12R1.113 CCOC1=NC=C(C=C1)C(=O)N Z449377044 [0,1,0,0,0,0|2,0,0]=3 378 B12R1.113 CCOC1=NC=C(C=C1)C(=O)O Z240114982 [0,1,0,0,0,0|1,0,0]=2 379 B12R1.113 CCOC1=NC=C(C=C1)[N+](=O)[O-] Z1255373009 [0,1,0,0,0,0|2,0,1]=4 380 B12R1.113 CCOC1=NC=C(C=N1)C(=O)O Z1222424318 [0,1,0,0,0,0|2,0,0]=3 381 B12R1.113 CCOC1=NC=C(N=C1)C(=O)O Z1217205043 [0,1,0,0,0,0|2,0,0]=3 382 B12R1.113 CCSC1=CC=C(C=C1)C(=O)C Z332382324 [0,1,0,0,0,0|1,1,0]=3 383 B12R1.113 CCSC1=CC=C(C=C1)C(=O)O Z228030812 [0,1,0,0,0,0|0,1,0]=2 384 B12R1.113 CCSC1=NC=C(C=C1)C(=O)O Z332377502 [0,1,0,0,0,0|1,1,0]=3 385 B12R1.113 CNCC1=CC=C(C=C1)C(=O)N Z316170532 [0,1,0,0,0,0|2,0,0]=3 386 B12R1.113 CNCC1=CC=C(C=C1)S(=O)C Z1262607272 [0,1,0,0,0,0|3,0,0]=4 387 B12R1.113 CNCC1=CC=C(C=C1)[N+](=O)[O-] Z102766816 [0,1,0,0,0,0|2,0,1]=4 388 B12R1.113 CNCC1=NC=C(C=C1)C(=O)O Z1255404522 [0,1,0,0,0,0|2,0,0]=3 389 B12R1.113 COCC1=CC=C(C=C1)B(O)O Z823983404 [0,1,0,0,0,0|1,0,1]=3 390 B12R1.113 COCC1=CC=C(C=C1)C(=O)N Z52214428 [0,1,0,0,0,0|1,0,0]=2 391 B12R1.113 COCC1=CC=C(C=C1)C(=O)O Z57981093 [0,1,0,0,0,0|0,0,0]=1 392 B12R1.113 COCC1=NC=C(C=C1)C(=O)O Z1255402225 [0,1,0,0,0,0|1,0,0]=2 393 B12R1.113 CSCC1=CC=C(C=C1)C(=O)O Z51581091 [0,1,0,0,0,0|0,1,0]=2 394 B12R1.113 N#CCC1=CC=C(C=C1)C(=O)N Z219997172 [0,1,0,0,0,0|2,0,1]=4 395 B12R1.113 N#CCC1=CC=C(C=C1)C(=O)O Z274531454 [0,1,0,0,0,0|1,0,1]=3 396 B12R1.113 NCCC1=CC=C(C=C1)B(O)O Z3244520031 [0,1,0,0,0,0|2,0,1]=4 397 B12R1.113 NCCC1=CC=C(C=C1)C(=O)O Z104341512 [0,1,0,0,0,0|1,0,0]=2 398 B12R1.113 NCCC1=CN=C(C=C1)C(=O)O Z5777724066 [0,1,0,0,0,0|2,0,0]=3 399 B12R1.113 O=C(O)C1=CC=C(C=C1)/C=N/O Z49568495 [0,1,0,0,0,0|2,0,0]=3 400 B12R1.113 O=C(O)C1=CC=C(C=C1)CCO Z1198159608 [0,1,0,0,0,0|1,0,0]=2 401 B12R1.113 O=CNC1=CC=C(C=C1)C(=O)O Z760037024 [0,1,0,0,0,0|1,0,1]=3 402 B12R1.256 CC(=O)C1=CC=C(C=C1)B(O)O Z1203161683 [0,1,0,0,0,0|2,0,1]=4 403 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)O Z335574216 [0,1,0,0,0,0|1,0,0]=2 404 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C Z56963407 [0,1,0,0,0,0|2,0,0]=3 405 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C Z56978035 [0,1,0,0,0,0|2,0,0]=3 406 B12R1.256 CC(=O)C1=CC=C(C=C1)S(=O)C Z1276746404 [0,1,0,0,0,0|1,1,0]=3 407 B12R1.256 CC(=O)C1=CC=C(C=C1)[N+](=O)[O-] Z104473102 [0,1,0,0,0,0|2,0,1]=4 408 B12R1.256 CC(=O)C1=CN=C(C=C1)C(=O)O Z4443002849 [0,1,0,0,0,0|2,0,0]=3 409 B12R1.256 CC(=O)C1=NN=C(C=C1)C(=O)O Z4430313618 [0,1,0,0,0,0|3,0,0]=4 410 B12R1.256 CC(C)C1=CC=C(C=C1)B(O)O Z336080004 [0,1,0,0,0,0|2,0,1]=4 411 B12R1.256 CC(C)C1=CC=C(C=C1)C(=N)N Z1184858180 [0,1,0,0,0,0|3,0,0]=4 412 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)N Z33546608 [0,1,0,0,0,0|2,0,0]=3 413 B12R1.256 CC(C)C1=CC=C(C=C1)C(=S)N Z55993078 [0,1,0,0,0,0|2,1,0]=4 414 B12R1.256 CC(C)C1=CC=C(C=C1)C(C)O Z335245028 [0,1,0,0,0,0|2,0,1]=4 415 B12R1.256 CC(C)C1=CN=C(C=C1)C(=O)O Z2168282673 [0,1,0,0,0,0|2,0,0]=3 416 B12R1.256 CC(C)C1=NC=C(C=C1)C(=O)O Z1474026485 [0,1,0,0,0,0|2,0,0]=3 417 B12R1.256 CC(O)C1=CC=C(C=C1)B(O)O Z1255489462 [0,1,0,0,0,0|2,0,1]=4 418 B12R1.256 CC(O)C1=CC=C(C=C1)C(=O)O Z1198155605 [0,1,0,0,0,0|1,0,0]=2 419 B12R1.256 CC(O)C1=CC=C(C=C1)N(C)C Z228586338 [0,1,0,0,0,0|2,0,1]=4 420 B12R1.256 CC(O)C1=CC=C(C=C1)[N+](=O)[O-] Z228586132 [0,1,0,0,0,0|2,0,1]=4 421 B12R1.256 CN(C)C1=CC=C(C=C1)C(=N)N Z2327588276 [0,1,0,0,0,0|3,0,0]=4 422 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)N Z33546672 [0,1,0,0,0,0|2,0,0]=3 423 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)O Z104476964 [0,1,0,0,0,0|1,0,0]=2 424 B12R1.256 CN(C)C1=CN=C(C=C1)C(=O)O Z1262513670 [0,1,0,0,0,0|2,0,0]=3 425 B12R1.256 CN(C)C1=NC=C(C=C1)C(=O)O Z330799458 [0,1,0,0,0,0|2,0,0]=3 426 B12R1.256 CN(C)C1=NC=C(C=N1)C(=O)O Z4499470264 [0,1,0,0,0,0|3,0,0]=4 427 B12R1.256 CN(C)C1=NC=C(N=C1)C(=O)O Z1217204576 [0,1,0,0,0,0|3,0,0]=4 428 B12R1.256 CN(C)C1=NN=C(C=C1)C(=O)O Z502339072 [0,1,0,0,0,0|3,0,0]=4 429 B12R1.256 CS(=O)C1=CC=C(C=C1)C(=O)O Z119989874 [0,1,0,0,0,0|0,1,0]=2 430 B12R1.256 N=C(N)C1=CC=C(C=C1)C(=O)O Z1741969401 [0,1,0,0,0,0|2,0,0]=3 431 B12R1.256 NC(=O)C1=CC=C(C=C1)B(O)O Z1171974289 [0,1,0,0,0,0|3,0,0]=4 432 B12R1.256 NC(=O)C1=CC=C(C=C1)C(=O)O Z147646808 [0,1,0,0,0,0|2,0,0]=3 433 B12R1.256 NC(=O)C1=CC=C(C=C1)C(=S)N Z234895461 [0,1,0,0,0,0|3,0,0]=4 434 B12R1.256 NC(=O)C1=CN=C(C=C1)C(=O)O Z425333840 [0,1,0,0,0,0|3,0,0]=4 435 B12R1.256 NC(=O)C1=NC=C(C=C1)C(=O)O Z316122632 [0,1,0,0,0,0|3,0,0]=4 436 B12R1.256 NC(=S)C1=CC=C(C=C1)C(=O)O Z235362627 [0,1,0,0,0,0|2,0,0]=3 437 B12R1.256 O=C(O)C1=CC=C(C=C1)B(O)O Z285136920 [0,1,0,0,0,0|2,0,0]=3 438 B12R1.256 O=C(O)C1=CC=C(C=C1)C(=O)O Z57127536 [0,1,0,0,0,0|2,0,0]=3 439 B12R1.256 O=C(O)C1=CC=C(C=C1)C(F)F Z995167754 [0,1,0,0,0,0|2,0,0]=3 440 B12R1.256 O=C(O)C1=CC=C(C=C1)[N+](=O)[O-] Z57127484 [0,1,0,0,0,0|2,0,0]=3 441 B12R1.256 O=C(O)C1=CN=C(C=C1)C(=O)O Z104474820 [0,1,0,0,0,0|3,0,0]=4 442 B12R1.256 O=C(O)C1=CN=C(C=C1)C(F)F Z1255375051 [0,1,0,0,0,0|3,0,0]=4 443 B12R1.256 O=[N+]([O-])C1=CC=C(C=C1)S(=O)O Z56755568 [0,1,0,0,0,0|3,0,0]=4 444 B12R1.452 CC(=O)C1=C(C=C(C=C1)C#N)F Z1624971400 [0,1,0,0,0,0|3,0,0]=4 445 B12R1.452 CC1=C(C=CC(=C1)C#N)C(=O)O Z1255385069 [0,1,0,0,0,0|2,0,0]=3 446 B12R1.452 CC1=C(C=CC(=C1)C=O)C(=O)O Z1262529112 [0,1,0,0,0,0|2,0,0]=3 447 B12R1.452 CC1=C(C=CC(=N1)C#N)C(=O)O Z2311104923 [0,1,0,0,0,0|3,0,0]=4 448 B12R1.452 CC1=C(C=CC(=N1)CN)C(=O)O Z1558210273 [0,1,0,0,0,0|3,0,0]=4 449 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)C Z1255422069 [0,1,0,0,0,0|1,0,0]=2 450 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)Cl Z1255359653 [0,1,0,0,0,0|1,0,0]=2 451 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)F Z1255434596 [0,1,0,0,0,0|1,0,0]=2 452 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)N Z1188031184 [0,1,0,0,0,0|1,0,0]=2 453 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)O Z1255367412 [0,1,0,0,0,0|1,0,0]=2 454 B12R1.452 CCC1=NC(=C(C=C1)C(=O)O)Br Z1269238713 [0,1,0,0,0,0|2,0,0]=3 455 B12R1.452 CCC1=NC(=C(C=C1)C(=O)O)C Z1255381842 [0,1,0,0,0,0|2,0,0]=3 456 B12R1.452 CCC1=NC(=C(C=C1)C(=O)O)O Z1198233393 [0,1,0,0,0,0|2,0,0]=3 457 B12R1.452 CCC1=NC=C(C(=O)N1)C(=O)O Z3018410360 [0,1,0,0,0,0|3,0,0]=4 458 B12R1.452 CNC1=CC(=C(C=C1)C(=O)N)Br Z2511811300 [0,1,0,0,0,0|2,0,0]=3 459 B12R1.452 CNC1=CC(=C(C=C1)C(=O)O)Cl Z1042084040 [0,1,0,0,0,0|1,0,0]=2 460 B12R1.452 CNC1=CC(=C(C=C1)[N+](=O)[O-])C Z419009538 [0,1,0,0,0,0|2,0,1]=4 461 B12R1.452 CNC1=CC(=C(C=C1)[N+](=O)[O-])N Z3244377547 [0,1,0,0,0,0|2,0,1]=4 462 B12R1.452 COC1=CC(=C(C=C1)B(O)O)C Z381541068 [0,1,0,0,0,0|1,0,1]=3 463 B12R1.452 COC1=CC(=C(C=C1)B(O)O)F Z431962152 [0,1,0,0,0,0|1,0,1]=3 464 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)Br Z454080406 [0,1,0,0,0,0|1,0,0]=2 465 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)C Z285137066 [0,1,0,0,0,0|1,0,0]=2 466 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)N Z1198165201 [0,1,0,0,0,0|1,0,0]=2 467 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)O Z57101020 [0,1,0,0,0,0|1,0,0]=2 468 B12R1.452 COC1=CC(=C(C=C1)C(=O)N)O Z57032591 [0,1,0,0,0,0|1,0,0]=2 469 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Br Z454080610 [0,1,0,0,0,0|0,0,0]=1 470 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Cl Z431962480 [0,1,0,0,0,0|0,0,0]=1 471 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)F Z89264974 [0,1,0,0,0,0|0,0,0]=1 472 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)I Z1269201449 [0,1,0,0,0,0|0,0,0]=1 473 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)N Z367452116 [0,1,0,0,0,0|0,0,0]=1 474 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)O Z104499836 [0,1,0,0,0,0|0,0,0]=1 475 B12R1.452 COC1=CC(=C(C=C1)[C@H](C)O)Br Z1541833075 [0,1,0,0,0,0|1,0,1]=3 476 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])Br Z425364656 [0,1,0,0,0,0|1,0,1]=3 477 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])C Z208835124 [0,1,0,0,0,0|1,0,1]=3 478 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])N Z111691250 [0,1,0,0,0,0|1,0,1]=3 479 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])O Z1079458544 [0,1,0,0,0,0|1,0,1]=3 480 B12R1.452 COC1=CC(=C(N=C1)C(=O)O)F Z1255367222 [0,1,0,0,0,0|1,0,0]=2 481 B12R1.452 COC1=NC(=C(C=C1)C(=O)C)C Z1255449232 [0,1,0,0,0,0|2,0,0]=3 482 B12R1.452 COC1=NC(=C(C=C1)C(=O)O)C Z1255389271 [0,1,0,0,0,0|1,0,0]=2 483 B12R1.452 COC1=NC(=C(C=C1)[N+](=O)[O-])C Z1198161540 [0,1,0,0,0,0|2,0,1]=4 484 B12R1.452 COC1=NC(=C(C=C1)[N+](=O)[O-])N Z1255419867 [0,1,0,0,0,0|2,0,1]=4 485 B12R1.452 COC1=NC(=C(C=N1)C(=O)O)C Z1255389427 [0,1,0,0,0,0|2,0,0]=3 486 B12R1.452 COC1=NC=C(C(=C1)C)C(=O)O Z1255418820 [0,1,0,0,0,0|1,0,0]=2 487 B12R1.452 CSC1=CC(=C(C=C1)C(=O)C)Cl Z871801792 [0,1,0,0,0,0|1,1,0]=3 488 B12R1.452 CSC1=CC(=C(C=C1)C(=O)O)Cl Z1042085326 [0,1,0,0,0,0|0,1,0]=2 489 B12R1.452 CSC1=NC(=C(C=N1)C(=O)O)N Z478193362 [0,1,0,0,0,0|2,1,0]=4 490 B12R1.452 N#CC1=CC(=C(C=C1)C(=O)O)O Z1255363166 [0,1,0,0,0,0|2,0,0]=3 491 B12R1.452 N#CC1=CC(=C(N=C1)C(=O)O)Cl Z1201627814 [0,1,0,0,0,0|3,0,0]=4 492 B12R1.452 N#CC1=NC(=C(C=C1)C(=O)O)Cl Z1509051728 [0,1,0,0,0,0|3,0,0]=4 493 B12R1.452 O=C(O)C1=C(C=C(C=C1)CO)F Z1255383867 [0,1,0,0,0,0|2,0,0]=3 494 B12R1.452 O=CC1=CC(=C(C=C1)C(=O)O)Cl Z1198314264 [0,1,0,0,0,0|2,0,0]=3 495 B12R1.452 O=CC1=CC(=C(C=C1)C(=O)O)F Z1198342985 [0,1,0,0,0,0|2,0,0]=3 496 B12R1.452 O=CC1=CC(=C(C=C1)C(=O)O)O Z1255375223 [0,1,0,0,0,0|2,0,0]=3 497 B10R0.82 C=C(CCC(=O)OC)C(=O)O Z1262513566 [0,0,1,0,0,0|1,0,2]=4 498 B12R2.9 CCC1=CC=C(C=C1)C2CO2 Z285186478 [0,0,0,1,0,0|2,0,1]=4 499 B12R2.9 COC1=CC=C(C=C1)C2CO2 Z278165224 [0,0,0,1,0,0|1,0,1]=3 500 B12R2.1384 O=C(O)C1=CC2=C(C=C1)CC2 Z1205494871 [0,0,0,1,0,0|1,0,0]=2 501 B10R1.31 CCC1=CC(=NO1)C(=O)O Z415731152 [0,0,0,0,1,0|3,0,0]=4 502 B10R1.31 CCC1=CC=C(N1)C(=O)O Z1416166268 [0,0,0,0,1,0|2,0,0]=3 503 B10R1.31 CCC1=CC=C(O1)C(=O)O Z57564911 [0,0,0,0,1,0|2,0,0]=3 504 B10R1.31 CCC1=CC=C(S1)C(=O)C Z89267050 [0,0,0,0,1,0|3,0,0]=4 505 B10R1.31 CCC1=CNC(=C1)C(=O)O Z3243445142 [0,0,0,0,1,0|2,0,0]=3 506 B10R1.31 CCC1=NC(=CN1)C(=O)O Z969202144 [0,0,0,0,1,0|3,0,0]=4 507 B10R1.31 CCC1=NC(=CO1)C(=O)O Z969117302 [0,0,0,0,1,0|3,0,0]=4 508 B10R1.31 CCC1=NC(=CS1)C(=O)O Z381402858 [0,0,0,0,1,0|3,0,0]=4 509 B10R1.31 CCC1=NC=C(O1)C(=O)O Z1205496428 [0,0,0,0,1,0|3,0,0]=4 510 B10R1.31 CCC1=NC=C(S1)C(=O)O Z385373332 [0,0,0,0,1,0|3,0,0]=4 511 B10R1.31 CCC1=NNC(=C1)C(=O)O Z367451040 [0,0,0,0,1,0|3,0,0]=4 512 B10R1.31 CCC1=NOC(=C1)C(=O)O Z1198173455 [0,0,0,0,1,0|3,0,0]=4 513 B10R1.31 CCN1C=C(C=N1)C(=O)O Z275170094 [0,0,0,0,1,0|3,0,0]=4 514 B10R1.31 CCN1C=CC(=N1)C(=O)O Z275169746 [0,0,0,0,1,0|3,0,0]=4 515 B10R1.31 CCN1C=NC(=C1)C(=O)O Z2568758095 [0,0,0,0,1,0|3,0,0]=4 516 B10R1.31 CNC1=NC(=CS1)C(=O)O Z756096506 [0,0,0,0,1,0|3,0,0]=4 517 B10R1.31 CNC1=NC=C(O1)C(=O)O Z2732452967 [0,0,0,0,1,0|3,0,0]=4 518 B10R1.31 CNC1=NC=C(S1)C(=O)O Z1413687885 [0,0,0,0,1,0|3,0,0]=4 519 B10R1.31 COC1=CC=C(S1)C(=O)O Z1198160366 [0,0,0,0,1,0|1,0,0]=2 520 B10R1.31 COC1=CSC(=C1)C(=O)O Z335442452 [0,0,0,0,1,0|1,0,0]=2 521 B10R1.31 COC1=NC(=CO1)C(=O)O Z1646049290 [0,0,0,0,1,0|2,0,0]=3 522 B10R1.31 COC1=NOC(=C1)C(=O)C Z1416183410 [0,0,0,0,1,0|3,0,0]=4 523 B10R1.31 COC1=NSC(=C1)C(=O)O Z2301475282 [0,0,0,0,1,0|2,0,0]=3 524 B10R1.31 CSC1=CC(=CO1)C(=O)O Z2408373903 [0,0,0,0,1,0|1,1,0]=3 525 B10R1.31 CSC1=CC=C(O1)C(=O)O Z963425062 [0,0,0,0,1,0|1,1,0]=3 526 B10R1.31 CSC1=CC=C(S1)C(=O)O Z1201619509 [0,0,0,0,1,0|1,1,0]=3 527 B10R1.31 CSC1=NC=C(S1)C(=O)O Z1416161686 [0,0,0,0,1,0|2,1,0]=4 528 B10R1.31 N#CC1=CC(=CN1)C(=O)O Z1606821800 [0,0,0,0,1,0|3,0,0]=4 529 B10R1.31 N#CC1=CC(=CS1)C(=O)O Z1536948871 [0,0,0,0,1,0|3,0,0]=4 530 B10R1.31 N#CC1=CC=C(N1)C(=O)O Z1205656493 [0,0,0,0,1,0|3,0,0]=4 531 B10R1.31 N#CC1=CC=C(O1)C(=O)O Z1203162525 [0,0,0,0,1,0|3,0,0]=4 532 B10R1.31 N#CC1=CC=C(S1)C(=O)O Z1198343175 [0,0,0,0,1,0|3,0,0]=4 533 B10R1.31 N#CC1=CNC(=C1)C(=O)O Z1198267221 [0,0,0,0,1,0|3,0,0]=4 534 B10R1.31 N#CC1=CSC(=C1)C(=O)O Z1255419942 [0,0,0,0,1,0|3,0,0]=4 535 B10R1.31 NCC1=CC=C(O1)C(=O)O Z1272117771 [0,0,0,0,1,0|3,0,0]=4 536 B10R1.31 NCC1=CSC(=C1)C(=O)O Z3487862165 [0,0,0,0,1,0|3,0,0]=4 537 B10R1.31 O=C(O)C1=CC=C(O1)CO Z385458092 [0,0,0,0,1,0|3,0,0]=4 538 B10R1.31 O=C(O)C1=CC=C(S1)CO Z1134175383 [0,0,0,0,1,0|3,0,0]=4 539 B10R1.31 O=C(O)C1=COC(=C1)CO Z970074936 [0,0,0,0,1,0|3,0,0]=4 540 B10R1.31 O=CC1=CC(=CN1)C(=O)O Z1203825503 [0,0,0,0,1,0|3,0,0]=4 541 B10R1.31 O=CC1=CC(=CO1)C(=O)O Z1197921203 [0,0,0,0,1,0|3,0,0]=4 542 B10R1.31 O=CC1=CC(=CS1)C(=O)O Z1198158838 [0,0,0,0,1,0|3,0,0]=4 543 B10R1.31 O=CC1=CC=C(N1)C(=O)O Z1198223703 [0,0,0,0,1,0|3,0,0]=4 544 B10R1.31 O=CC1=CC=C(O1)C(=O)O Z1201617369 [0,0,0,0,1,0|3,0,0]=4 545 B10R1.31 O=CC1=CC=C(S1)C(=O)O Z1201619678 [0,0,0,0,1,0|3,0,0]=4 546 B10R1.31 O=CC1=CNC(=C1)C(=O)O Z1190318813 [0,0,0,0,1,0|3,0,0]=4 547 B10R1.31 O=CC1=CSC(=C1)C(=O)O Z1262525684 [0,0,0,0,1,0|3,0,0]=4 548 B12R1.4 C#CC1=CC=C(C=C1)NC(=O)C Z1509142033 [0,0,0,0,0,1|2,0,1]=4 549 B12R1.4 CC(=O)NC1=CC=C(C=C1)C#N Z30612220 [0,0,0,0,0,1|3,0,0]=4 550 B12R1.4 CC(=O)NC1=CC=C(C=C1)C=O Z104472864 [0,0,0,0,0,1|3,0,0]=4 551 B12R1.4 CC(=O)NC1=CC=C(C=C1)CN Z235336571 [0,0,0,0,0,1|3,0,0]=4 552 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO Z228585230 [0,0,0,0,0,1|3,0,0]=4 553 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O Z57887890 [0,0,0,0,0,1|3,0,0]=4 554 B12R1.4 CC(=O)OC1=CC=C(C=C1)CCl Z1255365081 [0,0,0,0,0,1|3,0,0]=4 555 B12R1.4 CC(=O)OC1=CC=C(C=C1)CN Z2216303143 [0,0,0,0,0,1|3,0,0]=4 556 B12R1.4 CCC1=CC=C(C=C1)CC(=O)O Z274782844 [0,0,0,0,0,1|1,0,0]=2 557 B12R1.4 CCC1=CC=C(C=C1)NC(=O)C Z30917832 [0,0,0,0,0,1|2,0,0]=3 558 B12R1.4 CCC1=CC=C(C=C1)NC(=S)N Z271134316 [0,0,0,0,0,1|2,1,0]=4 559 B12R1.4 CNC1=CC=C(C=C1)NC(=O)C Z335252368 [0,0,0,0,0,1|2,0,0]=3 560 B12R1.4 COC1=CC=C(C=C1)CC(=O)N Z33546648 [0,0,0,0,0,1|1,0,0]=2 561 B12R1.4 COC1=CC=C(C=C1)CC(=O)O Z104476074 [0,0,0,0,0,1|0,0,0]=1 562 B12R1.4 COC1=CC=C(C=C1)CC(C)O Z228586162 [0,0,0,0,0,1|1,0,1]=3 563 B12R1.4 COC1=CC=C(C=C1)NC(=N)N Z118438372 [0,0,0,0,0,1|2,0,0]=3 564 B12R1.4 COC1=CC=C(C=C1)NC(=O)C Z28138902 [0,0,0,0,0,1|1,0,0]=2 565 B12R1.4 COC1=CC=C(C=C1)NC(=O)N Z56754681 [0,0,0,0,0,1|1,0,0]=2 566 B12R1.4 COC1=CC=C(C=C1)NC(=S)N Z56921428 [0,0,0,0,0,1|1,1,0]=3 567 B12R1.4 COC1=CC=C(C=C1)OC(=O)C Z30195429 [0,0,0,0,0,1|1,0,0]=2 568 B12R1.4 COC1=CN=C(C=C1)CC(=O)O Z1913661249 [0,0,0,0,0,1|1,0,0]=2 569 B12R1.4 COC1=NC=C(C=C1)CC(=O)C Z1216822629 [0,0,0,0,0,1|2,0,0]=3 570 B12R1.4 COC1=NC=C(C=C1)NC(=O)C Z26413930 [0,0,0,0,0,1|2,0,0]=3 571 B12R1.4 CSC1=CC=C(C=C1)CC(=O)O Z1212966448 [0,0,0,0,0,1|0,1,0]=2 572 B12R1.4 CSC1=CC=C(C=C1)NC(=O)C Z25066204 [0,0,0,0,0,1|1,1,0]=3 573 B12R1.4 N#CC1=CC=C(C=C1)CC(=O)N Z982774006 [0,0,0,0,0,1|3,0,0]=4 574 B12R1.4 N#CC1=CC=C(C=C1)CC(=O)O Z362118788 [0,0,0,0,0,1|2,0,0]=3 575 B12R1.4 N#CC1=CC=C(C=C1)NC(=O)N Z220331754 [0,0,0,0,0,1|3,0,0]=4 576 B12R1.4 N#CC1=NC=C(C=C1)CC(=O)O Z1255406002 [0,0,0,0,0,1|3,0,0]=4 577 B12R1.4 NCC1=CC=C(C=C1)NC(=O)N Z228589054 [0,0,0,0,0,1|3,0,0]=4 578 B12R1.4 NCC1=NC=C(C=C1)CC(=O)O Z5090941730 [0,0,0,0,0,1|3,0,0]=4 579 B12R1.4 O=CC1=CC=C(C=C1)CC(=O)O Z1198269767 [0,0,0,0,0,1|2,0,0]=3 580 B9R1.1 C=CC1=NC=C(C=C1)C Z1198181628 [2,0,0,0,0,0|2,0,0]=4 581 B9R1.1 CC1=CC=C(C=C1)C#N Z56965882 [2,0,0,0,0,0|1,0,1]=4 582 B9R1.1 CC1=CC=C(C=C1)C=O Z104477698 [2,0,0,0,0,0|0,0,0]=2 583 B9R1.1 CC1=CC=C(C=C1)NN Z56911942 [2,0,0,0,0,0|2,0,0]=4 584 B9R1.1 CC1=CN=C(C=C1)C=O Z1198172069 [2,0,0,0,0,0|1,0,0]=3 585 B9R1.1 CC1=CN=C(C=C1)CO Z1198270889 [2,0,0,0,0,0|1,0,1]=4 586 B9R1.1 CC1=NC=C(C=C1)C=O Z744849420 [2,0,0,0,0,0|1,0,0]=3 587 B9R1.1 CC1=NC=C(C=C1)CO Z397587474 [2,0,0,0,0,0|1,0,1]=4 588 B9R1.1 CC1=NC=C(C=N1)C=O Z274575088 [2,0,0,0,0,0|2,0,0]=4 589 B9R1.1 CC1=NC=C(N=C1)C=O Z1079442402 [2,0,0,0,0,0|2,0,0]=4 590 B9R1.1 CC1=NN=C(C=C1)C=O Z1198176701 [2,0,0,0,0,0|2,0,0]=4 591 B9R1.1 CCC1=CC=C(C=C1)I Z381540768 [2,0,0,0,0,0|2,0,0]=4 592 B9R1.1 CCC1=CC=C(C=C1)N Z104477836 [2,0,0,0,0,0|2,0,0]=4 593 B9R1.1 CCC1=CC=C(C=C1)O Z104479728 [2,0,0,0,0,0|1,0,0]=3 594 B9R1.1 CNC1=CC=C(C=C1)I Z744582716 [2,0,0,0,0,0|2,0,0]=4 595 B9R1.1 CNC1=CC=C(C=C1)O Z940713298 [2,0,0,0,0,0|1,0,0]=3 596 B9R1.1 COC1=CC=C(C=C1)C Z53834227 [2,0,0,0,0,0|0,0,1]=3 597 B9R1.1 COC1=CC=C(C=C1)F Z53834743 [2,0,0,0,0,0|1,0,0]=3 598 B9R1.1 COC1=CC=C(C=C1)N Z56938150 [2,0,0,0,0,0|1,0,0]=3 599 B9R1.1 COC1=CC=C(C=C1)O Z104474598 [2,0,0,0,0,0|0,0,0]=2 600 B9R1.1 COC1=CN=C(C=C1)C Z1198232754 [2,0,0,0,0,0|1,0,1]=4 601 B9R1.1 COC1=NC=C(C=C1)Br Z808608370 [2,0,0,0,0,0|2,0,0]=4 602 B9R1.1 COC1=NC=C(C=C1)Cl Z1094698482 [2,0,0,0,0,0|2,0,0]=4 603 B9R1.1 COC1=NC=C(C=C1)N Z56899049 [2,0,0,0,0,0|2,0,0]=4 604 B9R1.1 COC1=NC=C(C=C1)O Z1201623942 [2,0,0,0,0,0|1,0,0]=3 605 B9R1.1 COC1=NNC(=O)C=C1 Z1255391084 [2,0,0,0,0,0|2,0,0]=4 606 B9R1.1 CSC1=CC=C(C=C1)N Z104511114 [2,0,0,0,0,0|1,1,0]=4 607 B9R1.1 N#CC1=CC=C(C=C1)O Z104473840 [2,0,0,0,0,0|1,0,1]=4 608 B9R1.1 NCC1=CC=C(C=C1)O Z235348101 [2,0,0,0,0,0|1,0,1]=4 609 B9R1.1 O=CC1=CC=C(C=C1)Br Z57162109 [2,0,0,0,0,0|1,0,0]=3 610 B9R1.1 O=CC1=CC=C(C=C1)Cl Z57772447 [2,0,0,0,0,0|1,0,0]=3 611 B9R1.1 O=CC1=CC=C(C=C1)F Z104472914 [2,0,0,0,0,0|1,0,0]=3 612 B9R1.1 O=CC1=CC=C(C=C1)I Z57887684 [2,0,0,0,0,0|1,0,0]=3 613 B9R1.1 O=CC1=CC=C(C=C1)O Z57127520 [2,0,0,0,0,0|0,0,0]=2 614 B9R1.1 O=CC1=CC=C(C=C1)S Z1198150788 [2,0,0,0,0,0|0,1,0]=3 615 B9R1.1 O=CC1=CN=C(C=C1)O Z1741969170 [2,0,0,0,0,0|1,0,0]=3 616 B9R1.1 O=CC1=NC=C(C=C1)Br Z1079442796 [2,0,0,0,0,0|2,0,0]=4 617 B9R1.1 O=CC1=NC=C(C=C1)Cl Z1198177123 [2,0,0,0,0,0|2,0,0]=4 618 B9R1.1 O=CC1=NC=C(C=C1)F Z1201624239 [2,0,0,0,0,0|2,0,0]=4 619 B9R1.1 O=CC1=NC=C(C=C1)O Z1741979912 [2,0,0,0,0,0|1,0,0]=3 620 B9R1.1 OCC1=CC=C(C=C1)Br Z335244742 [2,0,0,0,0,0|1,0,1]=4 621 B9R1.1 OCC1=CC=C(C=C1)Cl Z104478032 [2,0,0,0,0,0|1,0,1]=4 622 B9R1.1 OCC1=CC=C(C=C1)F Z104477460 [2,0,0,0,0,0|1,0,1]=4 623 B9R1.1 OCC1=CC=C(C=C1)I Z385370342 [2,0,0,0,0,0|1,0,1]=4 624 B9R1.1 OCC1=NC=C(C=C1)O Z1217915045 [2,0,0,0,0,0|1,0,1]=4 625 B9R1.6 CC(=O)C1=CC=CC=C1 Z57127548 [2,0,0,0,0,0|1,0,0]=3 626 B9R1.6 CC(=O)C1=CN=CC=C1 Z104474436 [2,0,0,0,0,0|2,0,0]=4 627 B9R1.6 CC(=O)C1=NC=CC=C1 Z104474432 [2,0,0,0,0,0|2,0,0]=4 628 B9R1.6 CC(O)C1=CC=CC=C1 Z104494956 [2,0,0,0,0,0|1,0,1]=4 629 B9R1.6 C[C@@H](O)C1=CC=CC=C1 Z360055166 [2,0,0,0,0,0|1,0,1]=4 630 B9R1.6 C[C@H](O)C1=CC=CC=C1 Z360055168 [2,0,0,0,0,0|1,0,1]=4 631 B9R1.6 N=C(N)C1=CC=CC=C1 Z166624376 [2,0,0,0,0,0|2,0,0]=4 632 B9R1.6 NC(=O)C1=CN=CC=C1 Z33546463 [2,0,0,0,0,0|2,0,0]=4 633 B9R1.6 NC(=O)C1=NC=CC=C1 Z33546380 [2,0,0,0,0,0|2,0,0]=4 634 B9R1.6 NC(=S)C1=CC=CC=C1 Z57070430 [2,0,0,0,0,0|1,1,0]=4 635 B9R1.6 O=C(O)C1=CC=CC=C1 Z57127480 [2,0,0,0,0,0|0,0,0]=2 636 B9R1.6 O=C(O)C1=CC=NC=C1 Z104473016 [2,0,0,0,0,0|1,0,0]=3 637 B9R1.6 O=C(O)C1=CN=CC=C1 Z56755709 [2,0,0,0,0,0|1,0,0]=3 638 B9R1.6 O=C(O)C1=CN=CN=C1 Z336079948 [2,0,0,0,0,0|2,0,0]=4 639 B9R1.6 O=C(O)C1=CN=NC=C1 Z1182328443 [2,0,0,0,0,0|2,0,0]=4 640 B9R1.6 O=C(O)C1=NC=CC=C1 Z57968195 [2,0,0,0,0,0|1,0,0]=3 641 B9R1.6 O=C(O)C1=NC=CC=N1 Z1259341107 [2,0,0,0,0,0|2,0,0]=4 642 B9R1.6 O=C(O)C1=NC=CN=C1 Z104476002 [2,0,0,0,0,0|2,0,0]=4 643 B9R1.6 O=C(O)C1=NC=NC=C1 Z57064900 [2,0,0,0,0,0|2,0,0]=4 644 B9R1.6 O=C(O)C1=NN=CC=C1 Z1201621268 [2,0,0,0,0,0|2,0,0]=4 645 B9R1.6 O=[S-](=O)C1=CC=CC=C1 Z104501326 [2,0,0,0,0,0|1,0,1]=4 646 B9R1.6 OB(O)C1=CC=CC=C1 Z111782400 [2,0,0,0,0,0|1,0,1]=4 647 B11R1.83 C#CC1=CC=C(C=C1)OCC Z1080385490 [1,1,0,0,0,0|1,0,1]=4 648 B11R1.83 C/C=C/C1=CC=C(C=C1)OC Z2315575049 [1,1,0,0,0,0|1,0,0]=3 649 B11R1.83 C=CCC1=CC=C(C=C1)C=O Z1511744017 [1,1,0,0,0,0|1,0,1]=4 650 B11R1.83 CC#CC1=CC=C(C=C1)C=O Z1322793976 [1,1,0,0,0,0|1,0,0]=3 651 B11R1.83 CCC1=CC=C(C=C1)/C=N/O Z49568588 [1,1,0,0,0,0|1,0,0]=3 652 B11R1.83 CCC1=CC=C(C=C1)CCO Z992949606 [1,1,0,0,0,0|1,0,1]=4 653 B11R1.83 CCCC1=CC=C(C=C1)C=O Z147641436 [1,1,0,0,0,0|1,0,0]=3 654 B11R1.83 CCNC1=CC=C(C=C1)OC Z286371004 [1,1,0,0,0,0|1,0,1]=4 655 B11R1.83 CCOC1=CC=C(C=C1)C#N Z53834532 [1,1,0,0,0,0|1,0,1]=4 656 B11R1.83 CCOC1=CC=C(C=C1)C=O Z53833126 [1,1,0,0,0,0|0,0,0]=2 657 B11R1.83 CCOC1=CC=C(C=C1)NC Z335255846 [1,1,0,0,0,0|2,0,0]=4 658 B11R1.83 CCOC1=CN=C(C=C1)C=O Z1255437994 [1,1,0,0,0,0|1,0,0]=3 659 B11R1.83 CCOC1=CN=C(N=C1)C=O Z3674830556 [1,1,0,0,0,0|2,0,0]=4 660 B11R1.83 CCOC1=NC=C(C=C1)C=O Z1198331588 [1,1,0,0,0,0|1,0,0]=3 661 B11R1.83 CCOC1=NC=C(C=N1)C=O Z1216842962 [1,1,0,0,0,0|2,0,0]=4 662 B11R1.83 CNCC1=CC=C(C=C1)CO Z5435726703 [1,1,0,0,0,0|1,0,1]=4 663 B11R1.83 CNCC1=CC=C(C=C1)OC Z56928625 [1,1,0,0,0,0|1,0,1]=4 664 B11R1.83 COC1=CC=C(C=C1)/C=N/O Z49568452 [1,1,0,0,0,0|0,0,0]=2 665 B11R1.83 COC1=CC=C(C=C1)CC#N Z104476452 [1,1,0,0,0,0|1,0,1]=4 666 B11R1.83 COC1=CC=C(C=C1)CC=O Z993017620 [1,1,0,0,0,0|0,0,0]=2 667 B11R1.83 COC1=CC=C(C=C1)CCN Z104476454 [1,1,0,0,0,0|1,0,1]=4 668 B11R1.83 COC1=CC=C(C=C1)N=C=S Z56921427 [1,1,0,0,0,0|0,1,1]=4 669 B11R1.83 COCC1=CC=C(C=C1)C#N Z295205408 [1,1,0,0,0,0|1,0,1]=4 670 B11R1.83 COCC1=CC=C(C=C1)C=O Z1198331617 [1,1,0,0,0,0|0,0,0]=2 671 B11R1.83 COCC1=CC=C(C=C1)CN Z240084734 [1,1,0,0,0,0|1,0,1]=4 672 B11R1.83 COCC1=CC=C(C=C1)CO Z1255394253 [1,1,0,0,0,0|0,0,1]=3 673 B11R1.83 CSC1=CC=C(C=C1)/C=N/O Z49568577 [1,1,0,0,0,0|0,1,0]=3 674 B11R1.83 CSC1=CC=C(C=C1)CC=O Z1198331627 [1,1,0,0,0,0|0,1,0]=3 675 B11R1.83 CSCC1=CC=C(C=C1)C=O Z2216784275 [1,1,0,0,0,0|0,1,0]=3 676 B11R1.83 N#CCC1=CC=C(C=C1)C=O Z1255373857 [1,1,0,0,0,0|1,0,1]=4 677 B11R1.83 NCCC1=CC=C(C=C1)CO Z3243654196 [1,1,0,0,0,0|1,0,1]=4 678 B11R1.83 O=CC1=CC=C(C=C1)CCF Z1813165432 [1,1,0,0,0,0|1,0,0]=3 679 B11R1.83 O=CC1=CC=C(C=C1)OCF Z4875012342 [1,1,0,0,0,0|0,0,0]=2 680 B11R1.83 [N-]=[N+]=NC1=CC=C(C=C1)C=O Z1255356482 [1,1,0,0,0,0|2,0,0]=4 681 B11R1.279 C#CC1=C(C=C(C=C1)OC)Cl Z1862017872 [1,1,0,0,0,0|1,0,1]=4 682 B11R1.279 C#CC1=CC(=C(C=C1)C=O)F Z1511771827 [1,1,0,0,0,0|1,0,1]=4 683 B11R1.279 C#CC1=CC(=C(C=C1)OC)Br Z1269196997 [1,1,0,0,0,0|1,0,1]=4 684 B11R1.279 C#CC1=CC(=C(C=C1)OC)Cl Z1649746536 [1,1,0,0,0,0|1,0,1]=4 685 B11R1.279 C#CC1=CC(=C(C=C1)OC)F Z1080385564 [1,1,0,0,0,0|1,0,1]=4 686 B11R1.279 C=CC1=CC(=C(C=C1)OC)O Z1513804703 [1,1,0,0,0,0|1,0,0]=3 687 B11R1.279 CC1=C(C=CC(=C1)C=O)C#N Z1255505718 [1,1,0,0,0,0|2,0,0]=4 688 B11R1.279 CCC1=C(C=C(C=C1)C=O)F Z2472525344 [1,1,0,0,0,0|1,0,0]=3 689 B11R1.279 CCC1=CC(=C(C=C1)C=O)C Z1511897707 [1,1,0,0,0,0|1,0,0]=3 690 B11R1.279 CCC1=CC(=C(C=C1)C=O)F Z3244744229 [1,1,0,0,0,0|1,0,0]=3 691 B11R1.279 CCC1=CC(=C(C=C1)OC)N Z1209420082 [1,1,0,0,0,0|1,0,1]=4 692 B11R1.279 CNC1=C(C=C(C=C1)OC)I Z1878448486 [1,1,0,0,0,0|2,0,0]=4 693 B11R1.279 CNC1=CC(=C(C=C1)C=O)O Z1255444978 [1,1,0,0,0,0|1,0,0]=3 694 B11R1.279 CNC1=CC(=C(C=C1)OC)Br Z5133569872 [1,1,0,0,0,0|2,0,0]=4 695 B11R1.279 COC1=C(C=C(C=C1)C#N)C Z57900343 [1,1,0,0,0,0|1,0,1]=4 696 B11R1.279 COC1=C(C=C(C=C1)C#N)N Z425853642 [1,1,0,0,0,0|1,0,1]=4 697 B11R1.279 COC1=C(C=C(C=C1)C=O)Br Z54603118 [1,1,0,0,0,0|0,0,0]=2 698 B11R1.279 COC1=C(C=C(C=C1)C=O)C Z199532230 [1,1,0,0,0,0|0,0,0]=2 699 B11R1.279 COC1=C(C=C(C=C1)C=O)Cl Z57313891 [1,1,0,0,0,0|0,0,0]=2 700 B11R1.279 COC1=C(C=C(C=C1)C=O)F Z94599216 [1,1,0,0,0,0|0,0,0]=2 701 B11R1.279 COC1=C(C=C(C=C1)C=O)O Z104478184 [1,1,0,0,0,0|0,0,0]=2 702 B11R1.279 COC1=C(C=C(C=C1)CCl)Br Z104341250 [1,1,0,0,0,0|1,0,1]=4 703 B11R1.279 COC1=C(C=C(C=C1)CCl)F Z57980555 [1,1,0,0,0,0|1,0,1]=4 704 B11R1.279 COC1=C(C=C(C=C1)CN)C Z446021090 [1,1,0,0,0,0|1,0,1]=4 705 B11R1.279 COC1=C(C=C(C=C1)CN)Cl Z815287230 [1,1,0,0,0,0|1,0,1]=4 706 B11R1.279 COC1=C(C=C(C=C1)CN)F Z355423270 [1,1,0,0,0,0|1,0,1]=4 707 B11R1.279 COC1=C(C=C(C=C1)CN)O Z415728036 [1,1,0,0,0,0|1,0,1]=4 708 B11R1.279 COC1=C(C=C(C=C1)CO)Cl Z385370262 [1,1,0,0,0,0|0,0,1]=3 709 B11R1.279 COC1=C(C=C(C=N1)C=O)Br Z1269227157 [1,1,0,0,0,0|1,0,0]=3 710 B11R1.279 COC1=C(C=C(C=N1)C=O)C Z1255428321 [1,1,0,0,0,0|1,0,0]=3 711 B11R1.279 COC1=C(C=C(C=N1)C=O)Cl Z1198165226 [1,1,0,0,0,0|1,0,0]=3 712 B11R1.279 COC1=C(C=C(C=N1)C=O)F Z1198164109 [1,1,0,0,0,0|1,0,0]=3 713 B11R1.279 COC1=C(C=C(N=C1)C=O)Cl Z1255459195 [1,1,0,0,0,0|1,0,0]=3 714 B11R1.279 COC1=C(C=C(N=C1)C=O)O Z1201626854 [1,1,0,0,0,0|1,0,0]=3 715 B11R1.279 COC1=C(N=C(C=C1)C=O)C Z1255392726 [1,1,0,0,0,0|1,0,0]=3 716 B11R1.279 COC1=C(N=C(C=C1)CO)C Z1504670506 [1,1,0,0,0,0|1,0,1]=4 717 B11R1.279 COC1=CC(=C(C=C1)C#N)F Z1160930711 [1,1,0,0,0,0|1,0,1]=4 718 B11R1.279 COC1=CC(=C(C=C1)C#N)N Z1198165398 [1,1,0,0,0,0|1,0,1]=4 719 B11R1.279 COC1=CC(=C(C=C1)C=O)Br Z1190318854 [1,1,0,0,0,0|0,0,0]=2 720 B11R1.279 COC1=CC(=C(C=C1)C=O)C Z385370020 [1,1,0,0,0,0|0,0,0]=2 721 B11R1.279 COC1=CC(=C(C=C1)C=O)Cl Z178955320 [1,1,0,0,0,0|0,0,0]=2 722 B11R1.279 COC1=CC(=C(C=C1)C=O)F Z1190318848 [1,1,0,0,0,0|0,0,0]=2 723 B11R1.279 COC1=CC(=C(C=C1)C=O)O Z188964138 [1,1,0,0,0,0|0,0,0]=2 724 B11R1.279 COC1=CC(=C(C=C1)CN)C Z1190318959 [1,1,0,0,0,0|1,0,1]=4 725 B11R1.279 COC1=CC(=C(C=C1)CN)Cl Z5510271229 [1,1,0,0,0,0|1,0,1]=4 726 B11R1.279 COC1=CC(=C(C=C1)CN)F Z1416282396 [1,1,0,0,0,0|1,0,1]=4 727 B11R1.279 COC1=CC(=C(C=C1)CN)O Z2472857389 [1,1,0,0,0,0|1,0,1]=4 728 B11R1.279 COC1=CC(=C(C=C1)OC)Br Z299596102 [1,1,0,0,0,0|2,0,0]=4 729 B11R1.279 COC1=CC(=C(C=C1)OC)N Z56973491 [1,1,0,0,0,0|2,0,0]=4 730 B11R1.279 COC1=CC(=C(N=C1)C=O)C Z1255504594 [1,1,0,0,0,0|1,0,0]=3 731 B11R1.279 COC1=CC(=C(N=C1)C=O)Cl Z1255463662 [1,1,0,0,0,0|1,0,0]=3 732 B11R1.279 COC1=CNC(=CC1=O)CO Z1198164635 [1,1,0,0,0,0|1,0,1]=4 733 B11R1.279 COC1=COC(=CC1=O)CO Z1198152384 [1,1,0,0,0,0|1,0,1]=4 734 B11R1.279 COC1=NC(=C(C=C1)C=O)C Z1198307211 [1,1,0,0,0,0|1,0,0]=3 735 B11R1.279 COC1=NC(=C(C=C1)C=O)F Z1255500299 [1,1,0,0,0,0|1,0,0]=3 736 B11R1.279 COC1=NC=C(C(=C1)Br)C=O Z1269207586 [1,1,0,0,0,0|1,0,0]=3 737 B11R1.279 COC1=NC=C(C(=C1)C)C=O Z1198172235 [1,1,0,0,0,0|1,0,0]=3 738 B11R1.279 CSC1=C(C=C(C=C1)C=O)Cl Z1436297421 [1,1,0,0,0,0|0,1,0]=3 739 B11R1.279 CSC1=C(C=C(C=C1)CO)Cl Z1436298631 [1,1,0,0,0,0|0,1,1]=4 740 B11R1.279 CSC1=CC(=C(C=C1)C=O)Br Z1948219399 [1,1,0,0,0,0|0,1,0]=3 741 B11R1.279 CSC1=CC(=C(C=C1)C=O)F Z1686577681 [1,1,0,0,0,0|0,1,0]=3 742 B11R1.279 N#CC1=C(C=C(C=C1)C=O)Cl Z1255505615 [1,1,0,0,0,0|2,0,0]=4 743 B11R1.279 N#CC1=C(C=C(C=C1)C=O)F Z1255446726 [1,1,0,0,0,0|2,0,0]=4 744 B11R1.279 N#CC1=CC(=C(C=C1)C=O)Br Z1269207666 [1,1,0,0,0,0|2,0,0]=4 745 B11R1.279 N#CC1=CC(=C(C=C1)C=O)F Z1201624059 [1,1,0,0,0,0|2,0,0]=4 746 B11R1.19 CC(C)(O)C1=CC=C(C=C1)O Z1198750150 [1,1,0,0,0,0|1,0,1]=4 747 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)F Z1255372425 [1,1,0,0,0,0|1,0,1]=4 748 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)N Z45415564 [1,1,0,0,0,0|1,0,1]=4 749 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O Z2218556278 [1,1,0,0,0,0|1,0,0]=3 750 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O Z2306780869 [1,1,0,0,0,0|1,0,0]=3 751 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)O Z147646800 [1,1,0,0,0,0|1,0,1]=4 752 B11R1.19 NC1=CC=C(C=C1)S(=O)(=O)O Z104473374 [1,1,0,0,0,0|2,0,0]=4 753 B11R1.19 NS(=O)(=O)C1=CC=C(C=C1)O Z360053740 [1,1,0,0,0,0|1,0,1]=4 754 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)I Z1416158416 [1,1,0,0,0,0|2,0,0]=4 755 B11R1.19 O=S(=O)(F)C1=CC=C(C=C1)O Z1513807665 [1,1,0,0,0,0|1,0,1]=4 756 B11R1.19 O=S(=O)(O)C1=CC=C(C=C1)O Z2583059497 [1,1,0,0,0,0|1,0,0]=3 757 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)C Z1269191523 [1,1,0,0,0,0|2,0,0]=4 758 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)Cl Z1269244993 [1,1,0,0,0,0|2,0,0]=4 759 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)F Z1269159079 [1,1,0,0,0,0|2,0,0]=4 760 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)N Z1269218710 [1,1,0,0,0,0|2,0,0]=4 761 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)C Z104477440 [1,1,0,0,0,0|1,0,0]=3 762 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)F Z513735432 [1,1,0,0,0,0|1,0,0]=3 763 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N Z1198175137 [1,1,0,0,0,0|1,0,0]=3 764 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)O Z1198169413 [1,1,0,0,0,0|1,0,0]=3 765 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)Br Z1269168018 [1,1,0,0,0,0|2,0,0]=4 766 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)Cl Z104475662 [1,1,0,0,0,0|2,0,0]=4 767 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)F Z1201622912 [1,1,0,0,0,0|2,0,0]=4 768 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)N Z979493752 [1,1,0,0,0,0|2,0,0]=4 769 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Br Z199532232 [1,1,0,0,0,0|2,0,0]=4 770 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)C Z606338894 [1,1,0,0,0,0|2,0,0]=4 771 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Cl Z335437578 [1,1,0,0,0,0|2,0,0]=4 772 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)F Z56968900 [1,1,0,0,0,0|2,0,0]=4 773 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)N Z1198150660 [1,1,0,0,0,0|2,0,0]=4 774 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)O Z1201626572 [1,1,0,0,0,0|2,0,0]=4 775 B11R1.21 CC(=O)C1=CC(=C(C=C1)N)N Z1255447249 [1,1,0,0,0,0|2,0,0]=4 776 B11R1.21 CC(=O)C1=CC(=C(C=C1)N)O Z1198158301 [1,1,0,0,0,0|2,0,0]=4 777 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)Br Z1037557930 [1,1,0,0,0,0|1,0,0]=3 778 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)C Z57221419 [1,1,0,0,0,0|1,0,0]=3 779 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)Cl Z57905816 [1,1,0,0,0,0|1,0,0]=3 780 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)F Z385458772 [1,1,0,0,0,0|1,0,0]=3 781 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)N Z1664347745 [1,1,0,0,0,0|1,0,0]=3 782 B11R1.21 CC(=O)C1=NC(=C(C=C1)C)F Z1255393952 [1,1,0,0,0,0|2,0,0]=4 783 B11R1.21 CC1=C(C=C(C=C1)B(O)O)C Z336079990 [1,1,0,0,0,0|1,0,1]=4 784 B11R1.21 CC1=C(C=C(C=C1)B(O)O)Cl Z381540904 [1,1,0,0,0,0|1,0,1]=4 785 B11R1.21 CC1=C(C=C(C=C1)B(O)O)F Z381540952 [1,1,0,0,0,0|1,0,1]=4 786 B11R1.21 CC1=C(C=C(C=C1)B(O)O)N Z1201620793 [1,1,0,0,0,0|1,0,1]=4 787 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)Br Z3325481828 [1,1,0,0,0,0|2,0,0]=4 788 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)F Z1741959288 [1,1,0,0,0,0|2,0,0]=4 789 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)Br Z57206544 [1,1,0,0,0,0|1,0,0]=3 790 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)F Z116821650 [1,1,0,0,0,0|1,0,0]=3 791 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)N Z57912417 [1,1,0,0,0,0|1,0,0]=3 792 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)O Z323032498 [1,1,0,0,0,0|1,0,0]=3 793 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)Br Z57204180 [1,1,0,0,0,0|0,0,0]=2 794 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)C Z104477078 [1,1,0,0,0,0|0,0,0]=2 795 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)Cl Z1097117588 [1,1,0,0,0,0|0,0,0]=2 796 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F Z104510124 [1,1,0,0,0,0|0,0,0]=2 797 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I Z239685220 [1,1,0,0,0,0|0,0,0]=2 798 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)N Z57127001 [1,1,0,0,0,0|0,0,0]=2 799 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)O Z166652050 [1,1,0,0,0,0|0,0,0]=2 800 B11R1.21 CC1=C(C=C(C=C1)S(=O)[O-])C Z1455991568 [1,1,0,0,0,0|1,0,1]=4 801 B11R1.21 CC1=C(C=C(C=C1)[C@@H](C)O)C Z360055396 [1,1,0,0,0,0|1,0,1]=4 802 B11R1.21 CC1=C(C=C(C=C1)[C@H](C)O)C Z360055400 [1,1,0,0,0,0|1,0,1]=4 803 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])C Z104488476 [1,1,0,0,0,0|1,0,1]=4 804 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])F Z992934732 [1,1,0,0,0,0|1,0,1]=4 805 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])I Z56924548 [1,1,0,0,0,0|1,0,1]=4 806 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])N Z56926522 [1,1,0,0,0,0|1,0,1]=4 807 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])O Z415740552 [1,1,0,0,0,0|1,0,1]=4 808 B11R1.21 CC1=C(C=C(C=N1)C(=O)O)N Z3409985569 [1,1,0,0,0,0|1,0,0]=3 809 B11R1.21 CC1=C(C=C(N=C1)C(=O)O)C Z2894240161 [1,1,0,0,0,0|1,0,0]=3 810 B11R1.21 CC1=C(C=C(N=C1)C(=O)O)Cl Z1255439777 [1,1,0,0,0,0|1,0,0]=3 811 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)I Z1118973913 [1,1,0,0,0,0|2,0,0]=4 812 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)N Z239125318 [1,1,0,0,0,0|2,0,0]=4 813 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Br Z1269154857 [1,1,0,0,0,0|1,0,0]=3 814 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl Z1201618086 [1,1,0,0,0,0|1,0,0]=3 815 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)F Z959335402 [1,1,0,0,0,0|1,0,0]=3 816 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)I Z239685242 [1,1,0,0,0,0|1,0,0]=3 817 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)N Z223458490 [1,1,0,0,0,0|1,0,0]=3 818 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O Z995149794 [1,1,0,0,0,0|0,0,0]=2 819 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])O Z415740536 [1,1,0,0,0,0|1,0,1]=4 820 B11R1.21 CC1=C(C=CC(=N1)C(=O)O)Br Z1269158838 [1,1,0,0,0,0|2,0,0]=4 821 B11R1.21 CC1=C(C=NC(=C1)C(=O)O)Cl Z1198173117 [1,1,0,0,0,0|2,0,0]=4 822 B11R1.21 CC1=C(C=NC(=C1)C(=O)O)N Z3397321417 [1,1,0,0,0,0|2,0,0]=4 823 B11R1.21 CC1=C(N=C(C=C1)C(=O)O)Br Z1269114393 [1,1,0,0,0,0|1,0,0]=3 824 B11R1.21 CC1=C(N=C(C=C1)C(=O)O)C Z1198307150 [1,1,0,0,0,0|1,0,0]=3 825 B11R1.21 CC1=C(N=C(C=C1)C(=O)O)Cl Z1255462780 [1,1,0,0,0,0|1,0,0]=3 826 B11R1.21 CC1=C(N=C(C=C1)C(=O)O)F Z1255430474 [1,1,0,0,0,0|1,0,0]=3 827 B11R1.21 CC1=C(N=C(C=C1)C(=O)O)O Z1255445643 [1,1,0,0,0,0|1,0,0]=3 828 B11R1.21 CC1=C(N=CC(=C1)C(=O)O)Br Z1269138133 [1,1,0,0,0,0|2,0,0]=4 829 B11R1.21 CC1=C(N=CC(=C1)C(=O)O)C Z3244908427 [1,1,0,0,0,0|1,0,0]=3 830 B11R1.21 CC1=C(N=CC(=C1)C(=O)O)Cl Z1255381945 [1,1,0,0,0,0|2,0,0]=4 831 B11R1.21 CC1=C(N=CC(=C1)C(=O)O)F Z1198174583 [1,1,0,0,0,0|2,0,0]=4 832 B11R1.21 CC1=CNC(=CC1=O)C(=O)O Z1381260939 [1,1,0,0,0,0|1,0,0]=3 833 B11R1.21 CC1=[N+](C=C(N=C1)C(=O)O)[O-] Z1198155438 [1,1,0,0,0,0|2,0,0]=4 834 B11R1.21 CN1C=C(C=CC1=O)C(=O)O Z356294138 [1,1,0,0,0,0|1,0,1]=4 835 B11R1.21 CN1C=CC(=CC1=O)C(=O)N Z317545418 [1,1,0,0,0,0|2,0,0]=4 836 B11R1.21 CN1C=CC(=CC1=O)C(=O)O Z299018636 [1,1,0,0,0,0|1,0,0]=3 837 B11R1.21 CN1C=NC(=CC1=O)C(=O)O Z2509702267 [1,1,0,0,0,0|2,0,0]=4 838 B11R1.21 NC(=O)C1=CC(=C(C=C1)Br)F Z851822858 [1,1,0,0,0,0|2,0,0]=4 839 B11R1.21 NC(=O)C1=CC(=C(C=C1)Br)O Z1269119521 [1,1,0,0,0,0|2,0,0]=4 840 B11R1.21 NC(=O)C1=CC(=C(C=C1)Cl)N Z239125304 [1,1,0,0,0,0|2,0,0]=4 841 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)F Z82670082 [1,1,0,0,0,0|2,0,0]=4 842 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N Z316119774 [1,1,0,0,0,0|2,0,0]=4 843 B11R1.21 NC(=O)C1=CC(=C(C=C1)I)Br Z394874930 [1,1,0,0,0,0|2,0,0]=4 844 B11R1.21 NC(=O)C1=CC(=C(C=C1)I)F Z1127744306 [1,1,0,0,0,0|2,0,0]=4 845 B11R1.21 NC(=O)C1=CC(=C(C=C1)N)Br Z317054104 [1,1,0,0,0,0|2,0,0]=4 846 B11R1.21 NC(=O)C1=CC(=C(C=C1)N)F Z995047024 [1,1,0,0,0,0|2,0,0]=4 847 B11R1.21 NC(=O)C1=CC(=C(C=C1)N)N Z424798268 [1,1,0,0,0,0|2,0,0]=4 848 B11R1.21 NC(=O)C1=CC(=C(C=C1)N)O Z1126161217 [1,1,0,0,0,0|2,0,0]=4 849 B11R1.21 NC(=O)C1=CC(=C(C=C1)O)Cl Z68591301 [1,1,0,0,0,0|1,0,0]=3 850 B11R1.21 NC(=O)C1=CC(=C(C=C1)O)F Z1255448698 [1,1,0,0,0,0|1,0,0]=3 851 B11R1.21 NC(=O)C1=CC(=C(C=C1)O)O Z1198152898 [1,1,0,0,0,0|1,0,0]=3 852 B11R1.21 NC1=C(C=C(C=C1)C(=O)O)Br Z319214986 [1,1,0,0,0,0|1,0,0]=3 853 B11R1.21 NC1=C(C=C(C=C1)C(=O)O)Cl Z1082868852 [1,1,0,0,0,0|1,0,0]=3 854 B11R1.21 NC1=C(C=C(C=C1)C(=O)O)F Z756936498 [1,1,0,0,0,0|1,0,0]=3 855 B11R1.21 NC1=C(C=C(C=C1)C(=O)O)N Z104484514 [1,1,0,0,0,0|1,0,0]=3 856 B11R1.21 NC1=C(C=C(C=C1)C(=O)O)O Z431554234 [1,1,0,0,0,0|1,0,0]=3 857 B11R1.21 NC1=C(C=C(C=N1)C(=O)O)Br Z1269112095 [1,1,0,0,0,0|2,0,0]=4 858 B11R1.21 NC1=C(C=C(C=N1)C(=O)O)Cl Z330799286 [1,1,0,0,0,0|2,0,0]=4 859 B11R1.21 NC1=C(C=C(C=N1)C(=O)O)O Z3325079213 [1,1,0,0,0,0|2,0,0]=4 860 B11R1.21 NC1=C(C=CC(=C1)C(=O)O)Br Z57127000 [1,1,0,0,0,0|1,0,0]=3 861 B11R1.21 NC1=C(C=CC(=C1)C(=O)O)Cl Z104478358 [1,1,0,0,0,0|1,0,0]=3 862 B11R1.21 NC1=C(C=CC(=C1)C(=O)O)F Z283856672 [1,1,0,0,0,0|1,0,0]=3 863 B11R1.21 NC1=C(C=CC(=C1)C(=O)O)I Z1079174176 [1,1,0,0,0,0|1,0,0]=3 864 B11R1.21 NC1=C(C=CC(=C1)[N+](=O)[O-])O Z56346992 [1,1,0,0,0,0|1,0,1]=4 865 B11R1.21 NC1=C(C=CC(=N1)C(=O)O)Br Z1269123358 [1,1,0,0,0,0|2,0,0]=4 866 B11R1.21 NC1=C(C=CC(=N1)C(=O)O)O Z1198313022 [1,1,0,0,0,0|1,0,0]=3 867 B11R1.21 NC1=C(C=NC(=C1)C(=O)O)Cl Z3379551784 [1,1,0,0,0,0|2,0,0]=4 868 B11R1.21 NC1=C(C=NC(=C1)C(=O)O)F Z3476924546 [1,1,0,0,0,0|2,0,0]=4 869 B11R1.21 NC1=C(N=C(C=C1)C(=O)O)N Z1198311451 [1,1,0,0,0,0|2,0,0]=4 870 B11R1.21 O=C(O)C1=CC(=C(C=C1)Br)Cl Z1269111039 [1,1,0,0,0,0|1,0,0]=3 871 B11R1.21 O=C(O)C1=CC(=C(C=C1)Br)F Z756477072 [1,1,0,0,0,0|1,0,0]=3 872 B11R1.21 O=C(O)C1=CC(=C(C=C1)Br)O Z1269234103 [1,1,0,0,0,0|1,0,0]=3 873 B11R1.21 O=C(O)C1=CC(=C(C=C1)Cl)Br Z1269180540 [1,1,0,0,0,0|1,0,0]=3 874 B11R1.21 O=C(O)C1=CC(=C(C=C1)Cl)Cl Z104474098 [1,1,0,0,0,0|1,0,0]=3 875 B11R1.21 O=C(O)C1=CC(=C(C=C1)Cl)F Z636292752 [1,1,0,0,0,0|1,0,0]=3 876 B11R1.21 O=C(O)C1=CC(=C(C=C1)Cl)I Z239685218 [1,1,0,0,0,0|1,0,0]=3 877 B11R1.21 O=C(O)C1=CC(=C(C=C1)Cl)O Z1201619372 [1,1,0,0,0,0|1,0,0]=3 878 B11R1.21 O=C(O)C1=CC(=C(C=C1)F)Br Z381356490 [1,1,0,0,0,0|1,0,0]=3 879 B11R1.21 O=C(O)C1=CC(=C(C=C1)F)Cl Z1203161796 [1,1,0,0,0,0|1,0,0]=3 880 B11R1.21 O=C(O)C1=CC(=C(C=C1)F)F Z104341246 [1,1,0,0,0,0|1,0,0]=3 881 B11R1.21 O=C(O)C1=CC(=C(C=C1)F)I Z1269207858 [1,1,0,0,0,0|1,0,0]=3 882 B11R1.21 O=C(O)C1=CC(=C(C=C1)F)O Z1203161962 [1,1,0,0,0,0|1,0,0]=3 883 B11R1.21 O=C(O)C1=CC(=C(C=C1)I)Br Z382582728 [1,1,0,0,0,0|1,0,0]=3 884 B11R1.21 O=C(O)C1=CC(=C(C=C1)I)Cl Z1269153522 [1,1,0,0,0,0|1,0,0]=3 885 B11R1.21 O=C(O)C1=CC(=C(C=C1)I)F Z1115194701 [1,1,0,0,0,0|1,0,0]=3 886 B11R1.21 O=C(O)C1=CC(=C(C=C1)I)I Z1269131507 [1,1,0,0,0,0|1,0,0]=3 887 B11R1.21 O=C(O)C1=CC(=C(C=C1)I)O Z1269202149 [1,1,0,0,0,0|1,0,0]=3 888 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)Br Z57985393 [1,1,0,0,0,0|0,0,0]=2 889 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)Cl Z104503564 [1,1,0,0,0,0|0,0,0]=2 890 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)F Z57073754 [1,1,0,0,0,0|0,0,0]=2 891 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)O Z104501142 [1,1,0,0,0,0|0,0,0]=2 892 B11R1.21 O=C(O)C1=CC(=C(C=C1)S)Br Z1269190145 [1,1,0,0,0,0|0,1,0]=3 893 B11R1.21 O=C(O)C1=CC(=C(N=C1)Br)Br Z1269238021 [1,1,0,0,0,0|2,0,0]=4 894 B11R1.21 O=C(O)C1=CC(=C(N=C1)Br)Cl Z1269230032 [1,1,0,0,0,0|2,0,0]=4 895 B11R1.21 O=C(O)C1=CC(=C(N=C1)Br)O Z1269173146 [1,1,0,0,0,0|2,0,0]=4 896 B11R1.21 O=C(O)C1=CC(=C(N=C1)Cl)Br Z1269156435 [1,1,0,0,0,0|2,0,0]=4 897 B11R1.21 O=C(O)C1=CC(=C(N=C1)Cl)Cl Z104477552 [1,1,0,0,0,0|2,0,0]=4 898 B11R1.21 O=C(O)C1=CC(=C(N=C1)Cl)F Z1198320200 [1,1,0,0,0,0|2,0,0]=4 899 B11R1.21 O=C(O)C1=CC(=C(N=C1)F)Br Z1269243604 [1,1,0,0,0,0|2,0,0]=4 900 B11R1.21 O=C(O)C1=CC(=C(N=C1)F)Cl Z1198162771 [1,1,0,0,0,0|2,0,0]=4 901 B11R1.21 O=C(O)C1=CC(=C(N=C1)F)F Z1198183193 [1,1,0,0,0,0|2,0,0]=4 902 B11R1.21 O=C(O)C1=CC(=C(N=C1)I)O Z1269115116 [1,1,0,0,0,0|2,0,0]=4 903 B11R1.21 O=C(O)C1=CC(=C(N=C1)O)F Z1255436475 [1,1,0,0,0,0|1,0,0]=3 904 B11R1.21 O=C(O)C1=CC(=O)N(C=C1)O Z3244880399 [1,1,0,0,0,0|1,0,0]=3 905 B11R1.21 O=C(O)C1=CC=C(C(=O)O1)O Z1262515745 [1,1,0,0,0,0|1,0,0]=3 906 B11R1.21 O=C(O)C1=CN(C(=O)C=C1)O Z1255463617 [1,1,0,0,0,0|1,0,1]=4 907 B11R1.21 O=C(O)C1=CNC(=O)C(=C1)Br Z1259335940 [1,1,0,0,0,0|1,0,1]=4 908 B11R1.21 O=C(O)C1=CNC(=O)C(=C1)Cl Z752370728 [1,1,0,0,0,0|1,0,1]=4 909 B11R1.21 O=C(O)C1=NC(=C(C=C1)Br)Cl Z1269141215 [1,1,0,0,0,0|2,0,0]=4 910 B11R1.21 O=C(O)C1=NC(=C(C=C1)Br)F Z1269234071 [1,1,0,0,0,0|2,0,0]=4 911 B11R1.21 O=C(O)C1=NC(=C(C=C1)Br)O Z1269135378 [1,1,0,0,0,0|2,0,0]=4 912 B11R1.21 O=C(O)C1=NC(=C(C=C1)Cl)F Z1198183192 [1,1,0,0,0,0|2,0,0]=4 913 B11R1.21 O=C(O)C1=NC(=C(C=C1)F)Br Z1269231554 [1,1,0,0,0,0|2,0,0]=4 914 B11R1.21 O=C(O)C1=NC(=C(C=C1)F)Cl Z1250208606 [1,1,0,0,0,0|2,0,0]=4 915 B11R1.21 O=C(O)C1=NC=C(C(=C1)O)Br Z1269108466 [1,1,0,0,0,0|2,0,0]=4 916 B11R1.21 O=[N+]([O-])C1=CC(=C(C=C1)O)Br Z442212768 [1,1,0,0,0,0|1,0,1]=4 917 B11R1.21 O=[N+]([O-])C1=CC(=C(C=C1)O)Cl Z99601186 [1,1,0,0,0,0|1,0,1]=4 918 B11R1.21 O=[N+]([O-])C1=CC(=C(C=C1)O)F Z382708858 [1,1,0,0,0,0|1,0,1]=4 919 B11R1.21 O=[N+]([O-])C1=CC(=C(C=C1)O)O Z1255450010 [1,1,0,0,0,0|1,0,1]=4 920 B11R1.22 C#CC(=O)C1=CC=C(C=C1)Cl Z1266856320 [1,1,0,0,0,0|2,0,0]=4 921 B11R1.22 C=C(CO)C1=CC=C(C=C1)C Z1896562587 [1,1,0,0,0,0|1,0,0]=3 922 B11R1.22 C=CC(=O)C1=CC=C(C=C1)O Z1416178613 [1,1,0,0,0,0|1,0,0]=3 923 B11R1.22 CC1=CC=C(C=C1)/C(=N/O)/N Z57626985 [1,1,0,0,0,0|1,0,0]=3 924 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr Z104481640 [1,1,0,0,0,0|1,0,0]=3 925 B11R1.22 CC1=CC=C(C=C1)C(=O)CCl Z56886309 [1,1,0,0,0,0|1,0,0]=3 926 B11R1.22 CC1=CC=C(C=C1)C(=O)CN Z275368898 [1,1,0,0,0,0|1,0,0]=3 927 B11R1.22 CC1=CC=C(C=C1)C(=O)CO Z228585628 [1,1,0,0,0,0|0,0,0]=2 928 B11R1.22 CC1=CC=C(C=C1)C(=O)NO Z59182007 [1,1,0,0,0,0|0,0,0]=2 929 B11R1.22 CC1=CC=C(C=C1)C(C)C=O Z1198150045 [1,1,0,0,0,0|1,0,1]=4 930 B11R1.22 CC1=CC=C(C=C1)C(N)CO Z5087131901 [1,1,0,0,0,0|1,0,1]=4 931 B11R1.22 CC1=CC=C(C=C1)C(O)CN Z336086536 [1,1,0,0,0,0|1,0,1]=4 932 B11R1.22 CC1=CC=C(C=C1)[C@@H](O)CN Z1895741843 [1,1,0,0,0,0|1,0,1]=4 933 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br Z104485724 [1,1,0,0,0,0|2,0,0]=4 934 B11R1.22 CCC(=O)C1=CC=C(C=C1)Cl Z104477486 [1,1,0,0,0,0|2,0,0]=4 935 B11R1.22 CCC(=O)C1=CC=C(C=C1)F Z104477898 [1,1,0,0,0,0|2,0,0]=4 936 B11R1.22 CCC(=O)C1=CC=C(C=C1)I Z285137052 [1,1,0,0,0,0|2,0,0]=4 937 B11R1.22 CCC(=O)C1=CC=C(C=C1)N Z1203578051 [1,1,0,0,0,0|2,0,0]=4 938 B11R1.22 CCC(=O)C1=CC=C(C=C1)O Z104499156 [1,1,0,0,0,0|1,0,0]=3 939 B11R1.22 CCC(O)C1=CC=C(C=C1)C Z228586316 [1,1,0,0,0,0|1,0,1]=4 940 B11R1.22 CCC(O)C1=CC=C(C=C1)O Z228586170 [1,1,0,0,0,0|1,0,1]=4 941 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br Z30272262 [1,1,0,0,0,0|2,0,0]=4 942 B11R1.22 CNC(=O)C1=CC=C(C=C1)C Z32016517 [1,1,0,0,0,0|1,0,0]=3 943 B11R1.22 CNC(=O)C1=CC=C(C=C1)Cl Z32016366 [1,1,0,0,0,0|2,0,0]=4 944 B11R1.22 CNC(=O)C1=CC=C(C=C1)I Z30272273 [1,1,0,0,0,0|2,0,0]=4 945 B11R1.22 CNC(=O)C1=CC=C(C=C1)N Z56985799 [1,1,0,0,0,0|2,0,0]=4 946 B11R1.22 CNC(=O)C1=CC=C(C=C1)O Z183855140 [1,1,0,0,0,0|1,0,0]=3 947 B11R1.22 COC(=O)C1=CC=C(C=C1)Br Z19682625 [1,1,0,0,0,0|1,0,0]=3 948 B11R1.22 COC(=O)C1=CC=C(C=C1)I Z19776689 [1,1,0,0,0,0|1,0,0]=3 949 B11R1.22 COC(=O)C1=CC=C(C=C1)N Z54178705 [1,1,0,0,0,0|1,0,0]=3 950 B11R1.22 COC(=O)C1=CC=C(C=C1)O Z19674820 [1,1,0,0,0,0|0,0,0]=2 951 B11R1.22 COC(=O)C1=CN=C(C=C1)Br Z1269148380 [1,1,0,0,0,0|2,0,0]=4 952 B11R1.22 COC(=O)C1=CN=C(C=C1)C Z237546062 [1,1,0,0,0,0|1,0,0]=3 953 B11R1.22 COC(=O)C1=CN=C(C=C1)Cl Z18370508 [1,1,0,0,0,0|2,0,0]=4 954 B11R1.22 COC(=O)C1=CN=C(C=C1)F Z1255446614 [1,1,0,0,0,0|2,0,0]=4 955 B11R1.22 COC(=O)C1=CN=C(C=C1)N Z1117858114 [1,1,0,0,0,0|2,0,0]=4 956 B11R1.22 COC(=O)C1=CNC(=O)C=C1 Z166630186 [1,1,0,0,0,0|1,0,1]=4 957 B11R1.22 COC(=O)C1=COC(=O)C=C1 Z955121426 [1,1,0,0,0,0|1,0,1]=4 958 B11R1.22 COC(=O)C1=NC=C(C=C1)Br Z1065600802 [1,1,0,0,0,0|2,0,0]=4 959 B11R1.22 COC(=O)C1=NC=C(C=C1)Cl Z2903977159 [1,1,0,0,0,0|2,0,0]=4 960 B11R1.22 COC(=O)C1=NC=C(C=C1)I Z1322794368 [1,1,0,0,0,0|2,0,0]=4 961 B11R1.22 COC(=O)C1=NN=C(C=C1)C Z1255400513 [1,1,0,0,0,0|2,0,0]=4 962 B11R1.22 N/C(=N\O)/C1=CC=C(C=C1)Cl Z57627739 [1,1,0,0,0,0|2,0,0]=4 963 B11R1.22 N/C(=N\O)/C1=CC=C(C=C1)O Z156964722 [1,1,0,0,0,0|1,0,0]=3 964 B11R1.22 NC1=CC=C(C=C1)/C(=N/O)/N Z364003706 [1,1,0,0,0,0|2,0,0]=4 965 B11R1.22 NCC(=O)C1=CC=C(C=C1)Br Z1741980207 [1,1,0,0,0,0|2,0,0]=4 966 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl Z56928681 [1,1,0,0,0,0|2,0,0]=4 967 B11R1.22 NCC(=O)C1=CC=C(C=C1)F Z275365838 [1,1,0,0,0,0|2,0,0]=4 968 B11R1.22 NCC(=O)C1=CC=C(C=C1)O Z1198177329 [1,1,0,0,0,0|1,0,0]=3 969 B11R1.22 NNC(=O)C1=CC=C(C=C1)Br Z56899079 [1,1,0,0,0,0|2,0,0]=4 970 B11R1.22 NNC(=O)C1=CC=C(C=C1)F Z56862389 [1,1,0,0,0,0|2,0,0]=4 971 B11R1.22 NNC(=O)C1=CC=C(C=C1)N Z57199627 [1,1,0,0,0,0|2,0,0]=4 972 B11R1.22 NNC(=O)C1=CC=C(C=C1)O Z57036327 [1,1,0,0,0,0|1,0,0]=3 973 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br Z57708731 [1,1,0,0,0,0|2,0,0]=4 974 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Cl Z104484576 [1,1,0,0,0,0|2,0,0]=4 975 B11R1.22 O=C(CBr)C1=CC=C(C=C1)F Z104495742 [1,1,0,0,0,0|2,0,0]=4 976 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br Z56886257 [1,1,0,0,0,0|2,0,0]=4 977 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Cl Z104477840 [1,1,0,0,0,0|2,0,0]=4 978 B11R1.22 O=C(CCl)C1=CC=C(C=C1)F Z104478978 [1,1,0,0,0,0|2,0,0]=4 979 B11R1.22 O=C(CCl)C1=CC=C(C=C1)I Z57046985 [1,1,0,0,0,0|2,0,0]=4 980 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O Z104378296 [1,1,0,0,0,0|1,0,0]=3 981 B11R1.22 O=C(CO)C1=CC=C(C=C1)Cl Z906206720 [1,1,0,0,0,0|1,0,0]=3 982 B11R1.22 O=C(NO)C1=CC=C(C=C1)Br Z59181930 [1,1,0,0,0,0|1,0,0]=3 983 B11R1.22 O=C(NO)C1=CC=C(C=C1)Cl Z59181938 [1,1,0,0,0,0|1,0,0]=3 984 B11R1.22 O=C(NO)C1=CC=C(C=C1)I Z59181951 [1,1,0,0,0,0|1,0,0]=3 985 B11R1.22 O=C(NO)C1=CN=C(C=C1)Br Z1776118638 [1,1,0,0,0,0|2,0,0]=4 986 B11R1.22 O=CC(=O)C1=CC=C(C=C1)Br Z1269163105 [1,1,0,0,0,0|1,0,1]=4 987 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)Br Z56886263 [1,1,0,0,0,0|2,0,0]=4 988 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F Z1269134115 [1,1,0,0,0,0|2,0,0]=4 989 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)N Z906123248 [1,1,0,0,0,0|2,0,0]=4 990 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)O Z57790679 [1,1,0,0,0,0|2,0,0]=4 991 B11R1.166 CC(=O)C1=C(C=C(C=C1)C)O Z169857138 [1,1,0,0,0,0|1,0,0]=3 992 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Cl Z104477446 [1,1,0,0,0,0|2,0,0]=4 993 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)O Z1255487749 [1,1,0,0,0,0|2,0,0]=4 994 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Br Z1269135621 [1,1,0,0,0,0|2,0,0]=4 995 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)C Z1020765764 [1,1,0,0,0,0|2,0,0]=4 996 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Cl Z107334162 [1,1,0,0,0,0|2,0,0]=4 997 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)F Z57046231 [1,1,0,0,0,0|2,0,0]=4 998 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)O Z1080542132 [1,1,0,0,0,0|2,0,0]=4 999 B11R1.166 CC(=O)C1=C(C=C(C=C1)I)O Z1269204587 [1,1,0,0,0,0|2,0,0]=4 1000 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)C Z1198307593 [1,1,0,0,0,0|2,0,0]=4 1001 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)Cl Z1206884651 [1,1,0,0,0,0|2,0,0]=4 1002 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)C Z1255386683 [1,1,0,0,0,0|1,0,0]=3 1003 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)Cl Z1222422341 [1,1,0,0,0,0|1,0,0]=3 1004 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)F Z1123826135 [1,1,0,0,0,0|1,0,0]=3 1005 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)O Z57101026 [1,1,0,0,0,0|1,0,0]=3 1006 B11R1.166 CC(=O)C1=C(N=C(C=C1)C)C Z316174650 [1,1,0,0,0,0|2,0,0]=4 1007 B11R1.166 CC(=O)C1=C(N=C(C=C1)C)Cl Z1255365779 [1,1,0,0,0,0|2,0,0]=4 1008 B11R1.166 CC1=C(C=CC(=C1)Br)C(=O)O Z443357522 [1,1,0,0,0,0|1,0,0]=3 1009 B11R1.166 CC1=C(C=CC(=C1)Cl)C(=O)O Z1203161814 [1,1,0,0,0,0|1,0,0]=3 1010 B11R1.166 CC1=C(C=CC(=C1)F)C(=O)O Z732710370 [1,1,0,0,0,0|1,0,0]=3 1011 B11R1.166 CC1=C(C=CC(=C1)N)C(=O)N Z877632726 [1,1,0,0,0,0|2,0,0]=4 1012 B11R1.166 CC1=C(C=CC(=C1)N)C(=O)O Z877640950 [1,1,0,0,0,0|1,0,0]=3 1013 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)N Z1255467737 [1,1,0,0,0,0|1,0,0]=3 1014 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)O Z1255361025 [1,1,0,0,0,0|0,0,0]=2 1015 B11R1.166 CC1=C(C=CC(=C1)O)[N+](=O)[O-] Z85922875 [1,1,0,0,0,0|1,0,1]=4 1016 B11R1.166 CC1=C(C=CC(=N1)Br)C(=O)O Z1269210732 [1,1,0,0,0,0|2,0,0]=4 1017 B11R1.166 CC1=C(C=CC(=N1)Cl)C(=O)O Z1198234546 [1,1,0,0,0,0|2,0,0]=4 1018 B11R1.166 CC1=C(C=CC(=N1)F)C(=O)O Z1198165552 [1,1,0,0,0,0|2,0,0]=4 1019 B11R1.166 CC1=C(C=CC(=O)N1)C(=O)O Z1483956890 [1,1,0,0,0,0|1,0,1]=4 1020 B11R1.166 CC1=C(C=NC(=C1)Br)C(=O)O Z1269146648 [1,1,0,0,0,0|2,0,0]=4 1021 B11R1.166 CC1=C(C=NC(=C1)Cl)C(=O)O Z1255416862 [1,1,0,0,0,0|2,0,0]=4 1022 B11R1.166 CC1=C(C=NC(=C1)F)C(=O)O Z1198187145 [1,1,0,0,0,0|2,0,0]=4 1023 B11R1.166 CC1=C(C=NC(=C1)N)C(=O)O Z1198233521 [1,1,0,0,0,0|2,0,0]=4 1024 B11R1.166 CC1=C(N=CC(=C1)Br)C(=O)O Z1269174153 [1,1,0,0,0,0|2,0,0]=4 1025 B11R1.166 CC1=C(N=CC(=C1)F)C(=O)O Z4656796215 [1,1,0,0,0,0|2,0,0]=4 1026 B11R1.166 CC1=C(N=CC(=C1)N)C(=O)O Z3400152529 [1,1,0,0,0,0|2,0,0]=4 1027 B11R1.166 CC1=CC(=C(C=C1)B(O)O)C Z336080238 [1,1,0,0,0,0|1,0,1]=4 1028 B11R1.166 CC1=CC(=C(C=C1)B(O)O)Cl Z381540964 [1,1,0,0,0,0|1,0,1]=4 1029 B11R1.166 CC1=CC(=C(C=C1)B(O)O)F Z381540888 [1,1,0,0,0,0|1,0,1]=4 1030 B11R1.166 CC1=CC(=C(C=C1)C(=N)N)F Z4994084523 [1,1,0,0,0,0|2,0,0]=4 1031 B11R1.166 CC1=CC(=C(C=C1)C(=N)N)N Z223781296 [1,1,0,0,0,0|2,0,0]=4 1032 B11R1.166 CC1=CC(=C(C=C1)C(=O)N)N Z1201619842 [1,1,0,0,0,0|1,0,0]=3 1033 B11R1.166 CC1=CC(=C(C=C1)C(=O)N)O Z68591273 [1,1,0,0,0,0|1,0,0]=3 1034 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)Br Z1269191524 [1,1,0,0,0,0|0,0,0]=2 1035 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C Z104478236 [1,1,0,0,0,0|0,0,0]=2 1036 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)Cl Z1741968837 [1,1,0,0,0,0|0,0,0]=2 1037 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F Z732710382 [1,1,0,0,0,0|0,0,0]=2 1038 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O Z104500502 [1,1,0,0,0,0|0,0,0]=2 1039 B11R1.166 CC1=CC(=C(C=C1)C(=S)N)C Z85918833 [1,1,0,0,0,0|1,1,0]=4 1040 B11R1.166 CC1=CC(=C(C=C1)[C@@H](C)O)C Z360055782 [1,1,0,0,0,0|1,0,1]=4 1041 B11R1.166 CC1=CC(=C(C=C1)[C@H](C)O)C Z360055778 [1,1,0,0,0,0|1,0,1]=4 1042 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])N Z1664380848 [1,1,0,0,0,0|1,0,1]=4 1043 B11R1.166 CC1=CC(=C(N=C1)C(=O)O)C Z1198234174 [1,1,0,0,0,0|1,0,0]=3 1044 B11R1.166 CC1=CC(=C(N=C1)C(=O)O)F Z1255359416 [1,1,0,0,0,0|1,0,0]=3 1045 B11R1.166 CC1=CC(=C(N=C1)C(=O)O)O Z1694636570 [1,1,0,0,0,0|1,0,0]=3 1046 B11R1.166 CC1=CC(=O)C(=NN1)C(=O)O Z1262531104 [1,1,0,0,0,0|2,0,0]=4 1047 B11R1.166 CC1=CC(=O)NC=C1C(=O)O Z1216824441 [1,1,0,0,0,0|1,0,1]=4 1048 B11R1.166 CC1=CC=C(C(=O)N1)C(=O)N Z741559924 [1,1,0,0,0,0|2,0,0]=4 1049 B11R1.166 CC1=CC=C(C(=O)N1)C(=O)O Z381338798 [1,1,0,0,0,0|1,0,0]=3 1050 B11R1.166 CC1=NC(=C(C=C1)C(=O)N)Cl Z458889072 [1,1,0,0,0,0|2,0,0]=4 1051 B11R1.166 CC1=NC(=C(C=C1)C(=O)O)Br Z1269239832 [1,1,0,0,0,0|1,0,0]=3 1052 B11R1.166 CC1=NC(=C(C=C1)C(=O)O)C Z316174648 [1,1,0,0,0,0|1,0,0]=3 1053 B11R1.166 CC1=NC(=C(C=C1)C(=O)O)Cl Z381338796 [1,1,0,0,0,0|1,0,0]=3 1054 B11R1.166 CC1=NC(=C(C=N1)C(=O)O)Br Z1813195482 [1,1,0,0,0,0|2,0,0]=4 1055 B11R1.166 CC1=NC(=C(C=N1)C(=O)O)C Z274740268 [1,1,0,0,0,0|2,0,0]=4 1056 B11R1.166 CC1=NC(=C(C=N1)C(=O)O)N Z1198151805 [1,1,0,0,0,0|2,0,0]=4 1057 B11R1.166 CC1=NC=C(C(=C1)Br)C(=O)O Z1269167379 [1,1,0,0,0,0|1,0,0]=3 1058 B11R1.166 CC1=NC=C(C(=C1)Cl)C(=O)O Z1198330340 [1,1,0,0,0,0|1,0,0]=3 1059 B11R1.166 CC1=NC=C(C(=C1)O)C(=O)O Z1198163899 [1,1,0,0,0,0|1,0,0]=3 1060 B11R1.166 CC1=NC=C(C(=O)N1)C(=O)O Z905279506 [1,1,0,0,0,0|2,0,0]=4 1061 B11R1.166 NC(=O)C1=C(C=C(C=C1)Br)Cl Z448248264 [1,1,0,0,0,0|2,0,0]=4 1062 B11R1.166 NC(=O)C1=C(C=C(C=C1)Br)I Z1083498168 [1,1,0,0,0,0|2,0,0]=4 1063 B11R1.166 NC(=O)C1=C(C=C(C=C1)Cl)F Z116821738 [1,1,0,0,0,0|2,0,0]=4 1064 B11R1.166 NC(=O)C1=C(C=C(C=C1)Cl)N Z239125314 [1,1,0,0,0,0|2,0,0]=4 1065 B11R1.166 NC(=O)C1=C(C=C(C=C1)Cl)O Z68591606 [1,1,0,0,0,0|2,0,0]=4 1066 B11R1.166 NC(=O)C1=C(C=C(C=C1)F)Br Z101185864 [1,1,0,0,0,0|2,0,0]=4 1067 B11R1.166 NC(=O)C1=C(C=C(C=C1)F)Cl Z33546959 [1,1,0,0,0,0|2,0,0]=4 1068 B11R1.166 NC(=O)C1=C(C=C(C=C1)F)F Z33546764 [1,1,0,0,0,0|2,0,0]=4 1069 B11R1.166 NC(=O)C1=C(C=C(C=C1)F)N Z424996802 [1,1,0,0,0,0|2,0,0]=4 1070 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)Cl Z239125316 [1,1,0,0,0,0|2,0,0]=4 1071 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)F Z851815218 [1,1,0,0,0,0|2,0,0]=4 1072 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)N Z756172834 [1,1,0,0,0,0|2,0,0]=4 1073 B11R1.166 NC1=C(C=CC(=C1)Br)C(=O)O Z431518646 [1,1,0,0,0,0|1,0,0]=3 1074 B11R1.166 NC1=C(C=CC(=C1)Cl)C(=O)O Z104474094 [1,1,0,0,0,0|1,0,0]=3 1075 B11R1.166 NC1=C(C=CC(=C1)F)C(=O)O Z106939542 [1,1,0,0,0,0|1,0,0]=3 1076 B11R1.166 NC1=C(C=CC(=C1)I)C(=O)O Z1269152139 [1,1,0,0,0,0|1,0,0]=3 1077 B11R1.166 NC1=C(C=CC(=N1)Cl)C(=O)O Z1065884630 [1,1,0,0,0,0|2,0,0]=4 1078 B11R1.166 NC1=C(N=CC(=C1)Br)C(=O)O Z3244520755 [1,1,0,0,0,0|2,0,0]=4 1079 B11R1.166 NC1=C(N=CC(=C1)F)C(=O)O Z4171968197 [1,1,0,0,0,0|2,0,0]=4 1080 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)Br Z3185477282 [1,1,0,0,0,0|1,0,0]=3 1081 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)Cl Z734133022 [1,1,0,0,0,0|1,0,0]=3 1082 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)F Z851819874 [1,1,0,0,0,0|1,0,0]=3 1083 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)I Z1020801338 [1,1,0,0,0,0|1,0,0]=3 1084 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)O Z90121065 [1,1,0,0,0,0|1,0,0]=3 1085 B11R1.166 NC1=CC(=C(N=C1)C(=O)O)Cl Z4965855374 [1,1,0,0,0,0|2,0,0]=4 1086 B11R1.166 NC1=CC(=NC=C1C(=O)O)N Z4497378996 [1,1,0,0,0,0|2,0,0]=4 1087 B11R1.166 O=C(O)C1=C(C=C(C=C1)Br)Br Z1259341990 [1,1,0,0,0,0|1,0,0]=3 1088 B11R1.166 O=C(O)C1=C(C=C(C=C1)Br)Cl Z448102192 [1,1,0,0,0,0|1,0,0]=3 1089 B11R1.166 O=C(O)C1=C(C=C(C=C1)Br)F Z106938872 [1,1,0,0,0,0|1,0,0]=3 1090 B11R1.166 O=C(O)C1=C(C=C(C=C1)Br)I Z607863674 [1,1,0,0,0,0|1,0,0]=3 1091 B11R1.166 O=C(O)C1=C(C=C(C=C1)Br)O Z367679208 [1,1,0,0,0,0|1,0,0]=3 1092 B11R1.166 O=C(O)C1=C(C=C(C=C1)Cl)Br Z1269165449 [1,1,0,0,0,0|1,0,0]=3 1093 B11R1.166 O=C(O)C1=C(C=C(C=C1)Cl)Cl Z57127531 [1,1,0,0,0,0|1,0,0]=3 1094 B11R1.166 O=C(O)C1=C(C=C(C=C1)Cl)F Z104510482 [1,1,0,0,0,0|1,0,0]=3 1095 B11R1.166 O=C(O)C1=C(C=C(C=C1)Cl)I Z239685216 [1,1,0,0,0,0|1,0,0]=3 1096 B11R1.166 O=C(O)C1=C(C=C(C=C1)Cl)O Z57901799 [1,1,0,0,0,0|1,0,0]=3 1097 B11R1.166 O=C(O)C1=C(C=C(C=C1)F)Br Z104509888 [1,1,0,0,0,0|1,0,0]=3 1098 B11R1.166 O=C(O)C1=C(C=C(C=C1)F)Cl Z104480224 [1,1,0,0,0,0|1,0,0]=3 1099 B11R1.166 O=C(O)C1=C(C=C(C=C1)F)F Z104477622 [1,1,0,0,0,0|1,0,0]=3 1100 B11R1.166 O=C(O)C1=C(C=C(C=C1)F)I Z239685232 [1,1,0,0,0,0|1,0,0]=3 1101 B11R1.166 O=C(O)C1=C(C=C(C=C1)F)O Z854336256 [1,1,0,0,0,0|1,0,0]=3 1102 B11R1.166 O=C(O)C1=C(C=C(C=C1)F)S Z228584386 [1,1,0,0,0,0|1,0,0]=3 1103 B11R1.166 O=C(O)C1=C(C=C(C=C1)I)Cl Z1083220146 [1,1,0,0,0,0|1,0,0]=3 1104 B11R1.166 O=C(O)C1=C(C=C(C=C1)I)O Z367679324 [1,1,0,0,0,0|1,0,0]=3 1105 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)F Z1201620915 [1,1,0,0,0,0|0,0,0]=2 1106 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)O Z104502292 [1,1,0,0,0,0|0,0,0]=2 1107 B11R1.166 O=C(O)C1=C(C=C(C=C1)S)Cl Z1042085338 [1,1,0,0,0,0|0,1,0]=3 1108 B11R1.166 O=C(O)C1=C(C=C(C=N1)Br)I Z5299000520 [1,1,0,0,0,0|2,0,0]=4 1109 B11R1.166 O=C(O)C1=C(C=C(C=N1)Br)O Z1269189085 [1,1,0,0,0,0|2,0,0]=4 1110 B11R1.166 O=C(O)C1=C(C=C(C=N1)Cl)Cl Z1201622141 [1,1,0,0,0,0|2,0,0]=4 1111 B11R1.166 O=C(O)C1=C(C=C(C=N1)F)F Z1201623169 [1,1,0,0,0,0|2,0,0]=4 1112 B11R1.166 O=C(O)C1=C(C=C(C=N1)O)F Z1255504709 [1,1,0,0,0,0|1,0,0]=3 1113 B11R1.166 O=C(O)C1=C(C=C(N=C1)Br)Cl Z1269234069 [1,1,0,0,0,0|2,0,0]=4 1114 B11R1.166 O=C(O)C1=C(C=C(N=C1)Br)F Z1269175181 [1,1,0,0,0,0|2,0,0]=4 1115 B11R1.166 O=C(O)C1=C(C=C(N=C1)Cl)Cl Z1201619913 [1,1,0,0,0,0|2,0,0]=4 1116 B11R1.166 O=C(O)C1=C(C=C(N=C1)Cl)I Z1269235024 [1,1,0,0,0,0|2,0,0]=4 1117 B11R1.166 O=C(O)C1=C(C=C(N=C1)F)F Z1198183146 [1,1,0,0,0,0|2,0,0]=4 1118 B11R1.166 O=C(O)C1=C(C=C(N=C1)O)O Z1198152580 [1,1,0,0,0,0|1,0,0]=3 1119 B11R1.166 O=C(O)C1=C(C=C(N=N1)O)O Z1431403161 [1,1,0,0,0,0|2,0,0]=4 1120 B11R1.166 O=C(O)C1=C(N=C(C=C1)Br)Cl Z1269173797 [1,1,0,0,0,0|2,0,0]=4 1121 B11R1.166 O=C(O)C1=C(N=C(C=C1)Br)F Z1269199776 [1,1,0,0,0,0|2,0,0]=4 1122 B11R1.166 O=C(O)C1=C(N=C(C=C1)Cl)Br Z1269122856 [1,1,0,0,0,0|2,0,0]=4 1123 B11R1.166 O=C(O)C1=C(N=C(C=C1)Cl)Cl Z829930522 [1,1,0,0,0,0|2,0,0]=4 1124 B11R1.166 O=C(O)C1=C(N=C(C=C1)Cl)F Z1255425984 [1,1,0,0,0,0|2,0,0]=4 1125 B11R1.166 O=C(O)C1=C(N=C(C=C1)F)Br Z1269148462 [1,1,0,0,0,0|2,0,0]=4 1126 B11R1.166 O=C(O)C1=C(N=C(C=C1)F)Cl Z1255404425 [1,1,0,0,0,0|2,0,0]=4 1127 B11R1.166 O=C(O)C1=C(N=C(C=C1)F)F Z1201624415 [1,1,0,0,0,0|2,0,0]=4 1128 B11R1.166 O=[N+]([O-])C1=C(C=C(C=C1)O)Cl Z859818112 [1,1,0,0,0,0|1,0,1]=4 1129 B11R1.166 O=[N+]([O-])C1=C(C=C(C=C1)O)F Z825783030 [1,1,0,0,0,0|1,0,1]=4 1130 B11R1.166 O=[N+]([O-])C1=C(C=C(C=C1)O)O Z336080410 [1,1,0,0,0,0|1,0,1]=4 1131 B11R1.727 CS1(=NC=C(C=C1)C(=O)O)=O Z1262519784 [1,1,0,0,0,0|2,0,0]=4 1132 B11R1.44 CCC1=CC=C(S1)C(=O)CO Z228586068 [0,1,0,0,1,0|2,0,0]=4 1133 B11R1.44 COC(=O)C1=NC=C(O1)OC Z1198158653 [0,1,0,0,1,0|2,0,0]=4 1134 B11R1.48 CCC1=C(C=C(O1)C(=O)O)C Z1262529610 [0,1,0,0,1,0|2,0,0]=4 1135 B11R1.48 CCC1=C(C=C(S1)C(=O)O)Br Z1245633690 [0,1,0,0,1,0|2,0,0]=4 1136 B11R1.48 CCC1=C(C=C(S1)C(=O)O)C Z90123545 [0,1,0,0,1,0|2,0,0]=4 1137 B11R1.48 CCC1=C(SC(=C1)C(=O)O)C Z56347192 [0,1,0,0,1,0|2,0,0]=4 1138 B11R1.48 COC1=C(SC(=C1)C(=O)O)Br Z1518607679 [0,1,0,0,1,0|1,0,0]=3 1139 B11R1.48 COC1=C(SC(=C1)C(=O)O)Cl Z1262545034 [0,1,0,0,1,0|1,0,0]=3 1140 B11R1.48 COC1=C(SC(=N1)C(=O)O)C Z2795963296 [0,1,0,0,1,0|2,0,0]=4 1141 B11R1.48 COC1=CC(=NN1C)C(=O)O Z1255462748 [0,1,0,0,1,0|2,0,0]=4 1142 B11R1.48 CSC1=C(OC(=C1)C(=O)O)C Z1192103311 [0,1,0,0,1,0|1,1,0]=4 1143 B11R1.50 CCC1=CC(=C(O1)C(=O)O)C Z1262542741 [0,1,0,0,1,0|2,0,0]=4 1144 B11R1.50 CCC1=CC(=C(O1)C)C(=O)O Z1198307772 [0,1,0,0,1,0|2,0,0]=4 1145 B11R1.50 COC1=NN(C(=C1)C(=O)O)C Z1255494735 [0,1,0,0,1,0|2,0,0]=4 1146 B11R1.50 CSC1=CC(=C(O1)C(=O)O)C Z2587789644 [0,1,0,0,1,0|1,1,0]=4 1147 B11R1.50 CSC1=CC(=C(O1)C)C(=O)O Z2525907624 [0,1,0,0,1,0|1,1,0]=4 1148 B11R1.124 CCCC1=CC=C(N1)C(=O)O Z1504677549 [0,1,0,0,1,0|2,0,0]=4 1149 B11R1.124 CCCC1=CC=C(S1)C(=O)O Z1198165049 [0,1,0,0,1,0|2,0,0]=4 1150 B11R1.124 CCOC1=CC=C(O1)C(=O)C Z2895178482 [0,1,0,0,1,0|2,0,0]=4 1151 B11R1.124 CCOC1=NC=C(S1)C(=O)O Z1198220977 [0,1,0,0,1,0|2,0,0]=4 1152 B11R1.124 CCOC1=NNC(=C1)C(=O)O Z2218554954 [0,1,0,0,1,0|2,0,0]=4 1153 B11R1.124 CCOC1=NOC(=C1)C(=O)O Z1198321054 [0,1,0,0,1,0|2,0,0]=4 1154 B11R1.124 CNCC1=CC=C(O1)C(=O)O Z2865741221 [0,1,0,0,1,0|2,0,0]=4 1155 B11R1.124 COCC1=CC(=CS1)C(=O)O Z1262519516 [0,1,0,0,1,0|1,0,0]=3 1156 B11R1.124 COCC1=CC(=NO1)C(=O)O Z815737082 [0,1,0,0,1,0|2,0,0]=4 1157 B11R1.124 COCC1=CC=C(S1)C(=O)O Z1134175323 [0,1,0,0,1,0|1,0,0]=3 1158 B11R1.124 COCC1=NC(=CS1)C(=O)O Z825741954 [0,1,0,0,1,0|2,0,0]=4 1159 B11R1.124 COCC1=NNC(=C1)C(=O)O Z1255381522 [0,1,0,0,1,0|2,0,0]=4 1160 B11R1.124 COCC1=NOC(=C1)C(=O)O Z1262529038 [0,1,0,0,1,0|2,0,0]=4 1161 B11R1.124 CSCC1=CC=C(O1)C(=O)O Z57000520 [0,1,0,0,1,0|1,1,0]=4 1162 B11R1.124 NCCC1=CC=C(S1)C(=O)O Z2310679138 [0,1,0,0,1,0|2,0,0]=4 1163 B11R1.175 CC(=O)C1=CC(=CS1)C(=O)O Z835833262 [0,1,0,0,1,0|2,0,0]=4 1164 B11R1.175 CC(=O)C1=CC=C(N1)C(=O)O Z1198219139 [0,1,0,0,1,0|2,0,0]=4 1165 B11R1.175 CC(=O)C1=CC=C(O1)C(=O)O Z1255368340 [0,1,0,0,1,0|2,0,0]=4 1166 B11R1.175 CC(=O)C1=CC=C(S1)C(=O)O Z104378254 [0,1,0,0,1,0|2,0,0]=4 1167 B11R1.175 CC(=O)C1=CNC(=C1)C(=O)O Z104510032 [0,1,0,0,1,0|2,0,0]=4 1168 B11R1.175 CC(=O)C1=CSC(=C1)C(=O)O Z1123806397 [0,1,0,0,1,0|2,0,0]=4 1169 B11R1.175 CC(C)C1=CC=C(S1)C(=O)O Z361925570 [0,1,0,0,1,0|2,0,0]=4 1170 B11R1.473 CCN1C=CC(=C1C)C(=O)O Z1813084297 [0,1,0,0,1,0|2,0,0]=4 1171 B11R1.473 COC1=NOC(=C1Br)C(=O)O Z3242910697 [0,1,0,0,1,0|2,0,0]=4 1172 B13R1.4 COC1=CC=C(C=C1)CS(=O)(=O)F Z2732843735 [0,1,0,0,0,1|1,0,1]=4 1173 B13R1.5 C=CC(=O)NC1=CC=C(C=C1)OC Z440633656 [0,1,0,0,0,1|1,0,0]=3 1174 B13R1.5 C=CC(=O)NC1=CN=C(C=C1)OC Z440633620 [0,1,0,0,0,1|2,0,0]=4 1175 B13R1.5 CCC(=O)NC1=CC=C(C=C1)CC Z30917878 [0,1,0,0,0,1|2,0,0]=4 1176 B13R1.5 CCC(=O)NC1=CC=C(C=C1)SC Z110120998 [0,1,0,0,0,1|1,1,0]=4 1177 B13R1.5 CCC(=O)NC1=CN=C(C=C1)OC Z26413976 [0,1,0,0,0,1|2,0,0]=4 1178 B13R1.5 CCC1=CC=C(C=C1)NC(=O)CCl Z56886400 [0,1,0,0,0,1|2,0,0]=4 1179 B13R1.5 CNC(=O)NC1=CC=C(C=C1)OC Z104757974 [0,1,0,0,0,1|1,0,0]=3 1180 B13R1.5 COC(=O)CC1=CC=C(C=C1)C#N Z987351304 [0,1,0,0,0,1|2,0,0]=4 1181 B13R1.5 COC(=O)CC1=CC=C(C=C1)C=O Z1255502340 [0,1,0,0,0,1|2,0,0]=4 1182 B13R1.5 COC(=O)NC1=CC=C(C=C1)CO Z1250127728 [0,1,0,0,0,1|2,0,0]=4 1183 B13R1.5 COC1=CC=C(C=C1)/C=C(\C)/C=O Z2417557210 [0,1,0,0,0,1|1,0,0]=3 1184 B13R1.5 COC1=CC=C(C=C1)C/C(=N/O)/N Z285225846 [0,1,0,0,0,1|1,0,0]=3 1185 B13R1.5 COC1=CC=C(C=C1)CC(=O)NN Z56347401 [0,1,0,0,0,1|1,0,0]=3 1186 B13R1.5 COC1=CC=C(C=C1)CC(=O)NO Z59182049 [0,1,0,0,0,1|0,0,0]=2 1187 B13R1.5 COC1=CC=C(C=C1)NC(=O)CCl Z56862381 [0,1,0,0,0,1|1,0,0]=3 1188 B13R1.5 COC1=CC=C(C=C1)NC(=O)CN Z46280202 [0,1,0,0,0,1|1,0,0]=3 1189 B13R1.5 COC1=CC=C(C=C1)NC(=S)NN Z56827765 [0,1,0,0,0,1|1,1,0]=4 1190 B13R1.5 COC1=CC=C(C=C1)NC(=S)SC Z56757835 [0,1,0,0,0,1|0,2,0]=4 1191 B13R1.5 COC1=NC=C(C=C1)NC(=O)CCl Z57043501 [0,1,0,0,0,1|2,0,0]=4 1192 B13R1.5 CSC1=CC=C(C=C1)NC(=O)CCl Z199423718 [0,1,0,0,0,1|1,1,0]=4 1193 B13R1.35 CC1=C(C=CC(=C1)CC(=O)O)CO Z1551958932 [0,1,0,0,0,1|2,0,0]=4 1194 B13R1.35 CCC1=C(C=C(C=C1)CC(=O)O)F Z1551924486 [0,1,0,0,0,1|1,0,0]=3 1195 B13R1.35 COC1=C(C=C(C=C1)CC(=N)N)F Z1263602367 [0,1,0,0,0,1|2,0,0]=4 1196 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)Cl Z1205414415 [0,1,0,0,0,1|0,0,0]=2 1197 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)F Z94598730 [0,1,0,0,0,1|0,0,0]=2 1198 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)O Z1065613560 [0,1,0,0,0,1|0,0,0]=2 1199 B13R1.35 COC1=C(C=C(C=C1)NC(=S)N)Cl Z291279070 [0,1,0,0,0,1|1,1,0]=4 1200 B13R1.35 CSC1=C(C=C(C=C1)NC(=O)C)Cl Z1324842283 [0,1,0,0,0,1|1,1,0]=4 1201 B13R1.35 CSC1=C(C=C(C=C1)NC(=O)N)Cl Z1328048865 [0,1,0,0,0,1|1,1,0]=4 1202 B13R1.36 CC(C(=O)O)C1=CC=C(C=C1)C=O Z1198177006 [0,1,0,0,0,1|2,0,0]=4 1203 B13R1.36 CCC1=CC=C(C=C1)C(C)C(=O)O Z792377226 [0,1,0,0,0,1|1,0,0]=3 1204 B13R1.36 CCC1=CC=C(C=C1)C(N)C(=O)O Z317024600 [0,1,0,0,0,1|1,0,0]=3 1205 B13R1.36 COC1=CC=C(C=C1)C(C)C(=O)C Z1276728136 [0,1,0,0,0,1|1,0,0]=3 1206 B13R1.36 COC1=CC=C(C=C1)C(C)C(=O)O Z792377298 [0,1,0,0,0,1|0,0,0]=2 1207 B13R1.36 COC1=CC=C(C=C1)C(N)C(=O)O Z56755722 [0,1,0,0,0,1|0,0,0]=2 1208 B13R1.36 COC1=CC=C(C=C1)C(N)C(C)O Z3037763603 [0,1,0,0,0,1|1,0,1]=4 1209 B13R1.36 COC1=CC=C(C=C1)N(C)C(=O)N Z905094782 [0,1,0,0,0,1|1,0,0]=3 1210 B13R1.36 N#CC1=CC=C(C=C1)C(O)C(=O)O Z1262556648 [0,1,0,0,0,1|2,0,0]=4 1211 B13R1.36 NC(C(=O)O)C1=CC=C(C=C1)CO Z2510296391 [0,1,0,0,0,1|2,0,0]=4 1212 B13R1.142 CC(=O)NC1=CC=C(C=C1)CCN Z285143822 [0,1,0,0,0,1|2,0,0]=4 1213 B13R1.142 CC(=O)NC1=CC=C(C=C1)CCO Z785801482 [0,1,0,0,0,1|2,0,0]=4 1214 B13R1.142 CCOC1=CC=C(C=C1)CC(=O)O Z56877838 [0,1,0,0,0,1|0,0,0]=2 1215 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)C Z27807932 [0,1,0,0,0,1|1,0,0]=3 1216 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)N Z56754688 [0,1,0,0,0,1|1,0,0]=3 1217 B13R1.142 CCOC1=CN=C(C=C1)CC(=O)O Z3020571152 [0,1,0,0,0,1|1,0,0]=3 1218 B13R1.142 CCSC1=CC=C(C=C1)CC(=O)O Z1251117782 [0,1,0,0,0,1|0,1,0]=3 1219 B13R1.142 CNCC1=CC=C(C=C1)NC(=O)C Z2452335463 [0,1,0,0,0,1|2,0,0]=4 1220 B13R1.585 CC(=O)C1=CC=C(C=C1)CC(=O)O Z382690832 [0,1,0,0,0,1|1,0,0]=3 1221 B13R1.585 CC(=O)C1=CC=C(C=C1)NC(=O)N Z198194978 [0,1,0,0,0,1|2,0,0]=4 1222 B13R1.585 CC(=O)NC1=CC=C(C=C1)C(=O)C Z27699519 [0,1,0,0,0,1|2,0,0]=4 1223 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=O)C Z28188387 [0,1,0,0,0,1|2,0,0]=4 1224 B13R1.585 CC(C)C1=CC=C(C=C1)CC(=O)O Z362118700 [0,1,0,0,0,1|1,0,0]=3 1225 B13R1.585 CC(N)C1=CC=C(C=C1)NC(=O)N Z278090892 [0,1,0,0,0,1|2,0,0]=4 1226 B13R1.585 CS(=O)C1=CC=C(C=C1)CC(=O)O Z1251124311 [0,1,0,0,0,1|0,1,0]=3 1227 B13R1.585 O=C(O)CC1=CC=C(C=C1)B(O)O Z1198162651 [0,1,0,0,0,1|2,0,0]=4 1228 B13R1.585 O=C(O)CC1=CC=C(C=C1)C(F)F Z1198264636 [0,1,0,0,0,1|2,0,0]=4 1229 B13R1.585 O=C(O)CC1=CC=C(C=C1)[N+](=O)[O-] Z104477118 [0,1,0,0,0,1|2,0,0]=4 1230 B13R1.653 COC1=CC(=C(C=C1)CC(=O)O)C Z1198160688 [0,1,0,0,0,1|0,0,0]=2 1231 B13R1.653 COC1=CC(=C(C=C1)CC(=O)O)Cl Z1269126399 [0,1,0,0,0,1|0,0,0]=2 1232 B13R1.653 COC1=CC(=C(C=C1)CC(=O)O)F Z1201623880 [0,1,0,0,0,1|0,0,0]=2 1233 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)C Z56871751 [0,1,0,0,0,1|1,0,0]=3 1234 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)N Z239120272 [0,1,0,0,0,1|1,0,0]=3 1235 B13R1.653 COC1=CC(=C(C=C1)NC(=O)N)I Z1875070570 [0,1,0,0,0,1|1,0,0]=3 1236 B13R1.653 N#CC1=CC(=C(C=C1)CC(=O)O)F Z1255445753 [0,1,0,0,0,1|2,0,0]=4 1237 B13R1.39 CCC(C=O)C1=CC=C(C=C1)OC Z1255400148 [0,2,0,0,0,0|1,0,1]=4 1238 B13R1.39 CNC(CO)C1=CC=C(C=C1)OC Z734147394 [0,2,0,0,0,0|1,0,1]=4 1239 B13R1.39 COC1=CC=C(C=C1)C(CN)OC Z4261448724 [0,2,0,0,0,0|1,0,1]=4 1240 B13R1.95 CNC(=O)C1=C(C=C(C=C1)OC)F Z135505270 [0,2,0,0,0,0|1,0,0]=3 1241 B13R1.95 COC(=O)C1=C(C=C(C=C1)C=O)Br Z1650063197 [0,2,0,0,0,0|2,0,0]=4 1242 B13R1.95 COC(=O)C1=C(C=C(C=C1)C=O)C Z1486013252 [0,2,0,0,0,0|2,0,0]=4 1243 B13R1.95 COC(=O)C1=C(C=C(C=C1)C=O)Cl Z1511892697 [0,2,0,0,0,0|2,0,0]=4 1244 B13R1.95 COC(=O)C1=C(C=C(C=C1)C=O)F Z1278924424 [0,2,0,0,0,0|2,0,0]=4 1245 B13R1.95 COC(=O)C1=C(C=C(C=C1)C=O)O Z1511746985 [0,2,0,0,0,0|2,0,0]=4 1246 B13R1.95 COC(=O)C1=C(C=C(C=C1)CN)C Z3485357954 [0,2,0,0,0,0|2,0,0]=4 1247 B13R1.95 COC(=O)C1=C(C=C(C=C1)CO)C Z1486037182 [0,2,0,0,0,0|2,0,0]=4 1248 B13R1.95 COC(=O)C1=C(C=C(C=C1)OC)F Z88016191 [0,2,0,0,0,0|0,0,0]=2 1249 B13R1.95 COC(=O)C1=C(C=C(C=C1)OC)N Z847464376 [0,2,0,0,0,0|0,0,0]=2 1250 B13R1.95 COC(=O)C1=C(C=C(C=C1)OC)O Z24769843 [0,2,0,0,0,0|0,0,0]=2 1251 B13R1.139 CCCC1=CC=C(C=C1)C(=O)CCl Z56891225 [0,2,0,0,0,0|2,0,0]=4 1252 B13R1.139 CCOC1=CC=C(C=C1)C(=O)CBr Z56968562 [0,2,0,0,0,0|1,0,0]=3 1253 B13R1.139 CCOC1=CC=C(C=C1)C(=O)CCl Z90661771 [0,2,0,0,0,0|1,0,0]=3 1254 B13R1.139 CCOC1=CC=C(C=C1)C(=O)NN Z56862721 [0,2,0,0,0,0|1,0,0]=3 1255 B13R1.139 CCOC1=CC=C(C=C1)C(C)C=O Z1255425331 [0,2,0,0,0,0|1,0,1]=4 1256 B13R1.139 CNC(=O)C1=CC=C(C=C1)CCN Z2786070966 [0,2,0,0,0,0|2,0,0]=4 1257 B13R1.139 CNC(=O)C1=CC=C(C=C1)CSC Z32015680 [0,2,0,0,0,0|1,1,0]=4 1258 B13R1.139 CNCC1=CC=C(C=C1)C(=O)NC Z104378218 [0,2,0,0,0,0|2,0,0]=4 1259 B13R1.139 CNCC1=CC=C(C=C1)C(=O)OC Z1245537813 [0,2,0,0,0,0|1,0,0]=3 1260 B13R1.139 CNCC1=NC=C(C=C1)C(=O)OC Z2405066000 [0,2,0,0,0,0|2,0,0]=4 1261 B13R1.139 COC(=O)C1=CC=C(C=C1)/C=N/O Z49568623 [0,2,0,0,0,0|2,0,0]=4 1262 B13R1.139 COC(=O)C1=CC=C(C=C1)CC#N Z283862222 [0,2,0,0,0,0|1,0,1]=4 1263 B13R1.139 COC(=O)C1=CC=C(C=C1)CCN Z367678640 [0,2,0,0,0,0|1,0,0]=3 1264 B13R1.139 COC(=O)C1=NC=C(C=C1)CCN Z5787524890 [0,2,0,0,0,0|2,0,0]=4 1265 B13R1.139 COCC1=CC=C(C=C1)C(=O)OC Z51567779 [0,2,0,0,0,0|0,0,0]=2 1266 B13R1.187 CNS(=O)(=O)C1=CC=C(C=C1)OC Z45527657 [0,2,0,0,0,0|1,0,1]=4 1267 B13R1.187 COC1=CC=C(C=C1)C(C)(O)CN Z3244870706 [0,2,0,0,0,0|1,0,1]=4 1268 B13R1.452 CCC1=CC=C(C=C1)C(=O)/C=C/[O-] Z1097067713 [0,2,0,0,0,0|1,0,1]=4 1269 B13R1.452 CCCC(=O)C1=CC=C(C=C1)OC Z385418282 [0,2,0,0,0,0|1,0,0]=3 1270 B13R1.452 CCNC(=O)C1=CC=C(C=C1)OC Z32024428 [0,2,0,0,0,0|1,0,0]=3 1271 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CN Z56788169 [0,2,0,0,0,0|2,0,0]=4 1272 B13R1.452 CCOC(=O)C1=CC=C(C=C1)SC Z292454850 [0,2,0,0,0,0|0,1,0]=3 1273 B13R1.452 COC1=CC=C(C=C1)/C(=C/C#N)/Cl Z56969677 [0,2,0,0,0,0|2,0,0]=4 1274 B13R1.452 COC1=CC=C(C=C1)/C(=N/C#N)/N Z56759641 [0,2,0,0,0,0|2,0,0]=4 1275 B13R1.452 COC1=CC=C(C=C1)C(=O)/C=C/[O-] Z2259173493 [0,2,0,0,0,0|0,0,1]=3 1276 B13R1.452 COC1=CC=C(C=C1)C(=O)CC#N Z55928932 [0,2,0,0,0,0|1,0,0]=3 1277 B13R1.452 CONC(=O)C1=CC=C(C=C1)C#N Z188880130 [0,2,0,0,0,0|2,0,0]=4 1278 B13R1.452 CONC(=O)C1=CC=C(C=C1)OC Z240605130 [0,2,0,0,0,0|0,0,0]=2 1279 B13R1.537 CC(C)C1=CC=C(C=C1)C(=O)CCl Z104492314 [0,2,0,0,0,0|2,0,0]=4 1280 B13R1.537 CCC(=O)C1=CC=C(C=C1)C(=O)O Z1198160271 [0,2,0,0,0,0|1,0,0]=3 1281 B13R1.537 CCC(=O)C1=CC=C(C=C1)N(C)C Z1255458026 [0,2,0,0,0,0|2,0,0]=4 1282 B13R1.537 CCC(C)C1=CC=C(C=C1)C(=O)O Z285150268 [0,2,0,0,0,0|1,0,0]=3 1283 B13R1.537 CCN(C)C1=CC=C(C=C1)C(=O)C Z409025570 [0,2,0,0,0,0|2,0,0]=4 1284 B13R1.537 CCN(C)C1=CC=C(C=C1)C(=O)O Z1259041005 [0,2,0,0,0,0|1,0,0]=3 1285 B13R1.537 CN(C)C1=CC=C(C=C1)/C(=N/O)/N Z744843658 [0,2,0,0,0,0|2,0,0]=4 1286 B13R1.537 CN(C)C1=CC=C(C=C1)C(=O)CCl Z4180223285 [0,2,0,0,0,0|2,0,0]=4 1287 B13R1.537 CNC(=O)C1=CC=C(C=C1)N(C)C Z32016576 [0,2,0,0,0,0|2,0,0]=4 1288 B13R1.537 CNC(=O)C1=NC=C(C=C1)C(=O)O Z370745496 [0,2,0,0,0,0|2,0,0]=4 1289 B13R1.537 COC(=O)C1=CC=C(C=C1)B(O)O Z1095162714 [0,2,0,0,0,0|1,0,1]=4 1290 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=N)N Z2168541787 [0,2,0,0,0,0|2,0,0]=4 1291 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=O)C Z419615084 [0,2,0,0,0,0|1,0,0]=3 1292 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=O)N Z33546865 [0,2,0,0,0,0|1,0,0]=3 1293 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=O)O Z104492722 [0,2,0,0,0,0|0,0,0]=2 1294 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=S)N Z905062558 [0,2,0,0,0,0|1,1,0]=4 1295 B13R1.537 COC(=O)C1=CC=C(C=C1)C(C)O Z816113634 [0,2,0,0,0,0|1,0,0]=3 1296 B13R1.537 COC(=O)C1=CC=C(C=C1)C(F)F Z1027514108 [0,2,0,0,0,0|2,0,0]=4 1297 B13R1.537 COC(=O)C1=CC=C(C=C1)[N+](=O)[O-] Z19757043 [0,2,0,0,0,0|1,0,1]=4 1298 B13R1.537 COC(=O)C1=CN=C(C=C1)C(=O)C Z1255374742 [0,2,0,0,0,0|2,0,0]=4 1299 B13R1.537 COC(=O)C1=CN=C(C=C1)C(=O)N Z287485568 [0,2,0,0,0,0|2,0,0]=4 1300 B13R1.537 COC(=O)C1=CN=C(C=C1)C(=O)O Z285045546 [0,2,0,0,0,0|1,0,0]=3 1301 B13R1.537 COC(=O)C1=NC=C(C=C1)C(=O)O Z254336720 [0,2,0,0,0,0|1,0,0]=3 1302 B13R1.537 COC(=O)C1=NC=C(N=C1)C(=O)O Z1222423546 [0,2,0,0,0,0|2,0,0]=4 1303 B13R1.537 O=C(O)C1=CC=C(C=C1)C(O)CF Z3003535596 [0,2,0,0,0,0|1,0,0]=3 1304 B13R1.3088 CCC(=O)C1=CC(=C(C=C1)OC)Cl Z362839112 [0,2,0,0,0,0|1,0,0]=3 1305 B13R1.3088 CNC(=O)C1=CC(=C(C=C1)OC)Cl Z2212094371 [0,2,0,0,0,0|1,0,0]=3 1306 B13R1.3088 CNC(=O)C1=CC(=C(C=C1)OC)F Z87539849 [0,2,0,0,0,0|1,0,0]=3 1307 B13R1.3088 CNC(=O)C1=CC(=C(C=C1)OC)N Z239124744 [0,2,0,0,0,0|1,0,0]=3 1308 B13R1.3088 CNC1=C(C=C(C=C1)C(=O)OC)N Z802832548 [0,2,0,0,0,0|1,0,0]=3 1309 B13R1.3088 COC(=O)C1=CC(=C(C=C1)C#N)O Z1198233831 [0,2,0,0,0,0|2,0,0]=4 1310 B13R1.3088 COC(=O)C1=CC(=C(C=C1)C=O)Br Z1269226369 [0,2,0,0,0,0|2,0,0]=4 1311 B13R1.3088 COC(=O)C1=CC(=C(C=C1)C=O)Cl Z1255366968 [0,2,0,0,0,0|2,0,0]=4 1312 B13R1.3088 COC(=O)C1=CC(=C(C=C1)C=O)F Z1255358363 [0,2,0,0,0,0|2,0,0]=4 1313 B13R1.3088 COC(=O)C1=CC(=C(C=C1)C=O)O Z1255397942 [0,2,0,0,0,0|2,0,0]=4 1314 B13R1.3088 COC(=O)C1=CC(=C(C=C1)CN)Br Z4969499133 [0,2,0,0,0,0|2,0,0]=4 1315 B13R1.3088 COC(=O)C1=CC(=C(C=C1)CN)C Z5399774684 [0,2,0,0,0,0|2,0,0]=4 1316 B13R1.3088 COC(=O)C1=CC(=C(C=C1)CN)F Z2574914548 [0,2,0,0,0,0|2,0,0]=4 1317 B13R1.3088 COC(=O)C1=CC(=C(C=C1)OC)Br Z57204686 [0,2,0,0,0,0|0,0,0]=2 1318 B13R1.3088 COC(=O)C1=CC(=C(C=C1)OC)Cl Z335793416 [0,2,0,0,0,0|0,0,0]=2 1319 B13R1.3088 COC(=O)C1=CC(=C(N=C1)OC)N Z1262634957 [0,2,0,0,0,0|1,0,0]=3 1320 B13R1.3088 COC(=O)C1=NC(=C(C=C1)OC)C Z1255462452 [0,2,0,0,0,0|1,0,0]=3 1321 B13R1.3088 COC1=C(C=C(C=C1)C(=O)CCl)Br Z57040445 [0,2,0,0,0,0|1,0,0]=3 1322 B13R1.3088 COC1=C(C=C(C=C1)C(=O)CCl)Cl Z89267925 [0,2,0,0,0,0|1,0,0]=3 1323 B13R1.3088 COC1=C(C=C(C=C1)C(=O)CCl)F Z85921959 [0,2,0,0,0,0|1,0,0]=3 1324 B13R1.3088 COC1=C(C=C(C=C1)C(=O)CO)Cl Z228586064 [0,2,0,0,0,0|0,0,0]=2 1325 B13R1.3088 COC1=C(C=C(C=C1)C(=O)NO)F Z88293978 [0,2,0,0,0,0|0,0,0]=2 1326 B13R1.38 CCC1=C(C=C(C=C1)S(=O)(=O)O)N Z1509400225 [0,2,0,0,0,0|2,0,0]=4 1327 B13R1.38 COC1=C(C=C(C=C1)S(=O)(=O)C)O Z2732819258 [0,2,0,0,0,0|1,0,1]=4 1328 B13R1.38 COC1=C(C=C(C=C1)S(=O)(=O)Cl)C Z283680996 [0,2,0,0,0,0|1,0,1]=4 1329 B13R1.38 COC1=C(C=C(C=C1)S(=O)(=O)Cl)Cl Z283680852 [0,2,0,0,0,0|1,0,1]=4 1330 B13R1.38 COC1=C(C=C(C=C1)S(=O)(=O)Cl)F Z283680756 [0,2,0,0,0,0|1,0,1]=4 1331 B13R1.38 COC1=C(C=C(C=C1)S(=O)(=O)F)O Z1513891598 [0,2,0,0,0,0|1,0,1]=4 1332 B13R1.38 COC1=C(C=C(C=C1)S(=O)(=O)N)Br Z45415613 [0,2,0,0,0,0|1,0,1]=4 1333 B13R1.38 COC1=C(C=C(C=C1)S(=O)(=O)N)C Z57271788 [0,2,0,0,0,0|1,0,1]=4 1334 B13R1.38 COC1=C(C=C(C=C1)S(=O)(=O)N)Cl Z57647000 [0,2,0,0,0,0|1,0,1]=4 1335 B13R1.38 COC1=C(C=C(C=C1)S(=O)(=O)N)F Z238470940 [0,2,0,0,0,0|1,0,1]=4 1336 B13R1.38 COC1=C(C=C(C=C1)S(=O)(=O)N)N Z166648618 [0,2,0,0,0,0|1,0,1]=4 1337 B13R1.38 COC1=C(C=C(C=C1)S(=O)(=O)N)O Z1269234954 [0,2,0,0,0,0|1,0,1]=4 1338 B13R1.96 COC1=CC(=C(C=C1)S(=O)(=O)N)C Z737930274 [0,2,0,0,0,0|1,0,1]=4 1339 B13R1.96 COC1=CC(=C(C=C1)S(=O)(=O)N)N Z359331376 [0,2,0,0,0,0|1,0,1]=4 1340 B13R1.140 CCOC1=CC=C(C=C1)S(=O)(=O)Cl Z96092029 [0,2,0,0,0,0|1,0,1]=4 1341 B13R1.140 CCOC1=CC=C(C=C1)S(=O)(=O)F Z1416169486 [0,2,0,0,0,0|1,0,1]=4 1342 B13R1.140 CCOC1=CC=C(C=C1)S(=O)(=O)N Z45415565 [0,2,0,0,0,0|1,0,1]=4 1343 B13R1.338 CC(=O)C1=CC=C(C=C1)C(C)(C)C Z85956680 [0,2,0,0,0,0|2,0,0]=4 1344 B13R1.338 CC(=O)C1=CC=C(C=C1)C(C)(C)O Z1238572199 [0,2,0,0,0,0|2,0,0]=4 1345 B13R1.338 CC(=O)C1=CC=C(C=C1)S(=O)(=O)C Z57046982 [0,2,0,0,0,0|1,1,0]=4 1346 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=O)N Z33546472 [0,2,0,0,0,0|2,0,0]=4 1347 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=O)O Z104473486 [0,2,0,0,0,0|1,0,0]=3 1348 B13R1.338 CC(C)(C)C1=CN=C(C=C1)C(=O)O Z2335632290 [0,2,0,0,0,0|2,0,0]=4 1349 B13R1.338 CC(C)(O)C1=CC=C(C=C1)C(=O)O Z1198159906 [0,2,0,0,0,0|1,0,0]=3 1350 B13R1.338 CC(F)(F)C1=CC=C(C=C1)C(=O)N Z1262637185 [0,2,0,0,0,0|2,0,0]=4 1351 B13R1.338 CC(F)(F)C1=CC=C(C=C1)C(=O)O Z1262522751 [0,2,0,0,0,0|1,0,0]=3 1352 B13R1.338 CC(F)(F)C1=NC=C(C=C1)C(=O)O Z1255505037 [0,2,0,0,0,0|2,0,0]=4 1353 B13R1.338 CS(=O)(=O)C1=CC=C(C=C1)C(=O)N Z33545772 [0,2,0,0,0,0|1,1,0]=4 1354 B13R1.338 CS(=O)(=O)C1=CC=C(C=C1)C(=O)O Z57042070 [0,2,0,0,0,0|0,1,0]=3 1355 B13R1.338 CS(=O)(=O)C1=NC=C(C=C1)C(=O)O Z1269134346 [0,2,0,0,0,0|1,1,0]=4 1356 B13R1.338 C[S@](=N)(=O)C1=CC=C(C=C1)C(=O)O Z3486437907 [0,2,0,0,0,0|0,1,0]=3 1357 B13R1.338 NS(=O)(=O)C1=CC=C(C=C1)C(=O)O Z53021532 [0,2,0,0,0,0|1,1,0]=4 1358 B13R1.338 O=C(O)C1=CC=C(C=C1)C(F)(F)F Z56922105 [0,2,0,0,0,0|2,0,0]=4 1359 B13R1.338 O=C(O)C1=CC=C(C=C1)S(=O)(=O)Cl Z57032569 [0,2,0,0,0,0|1,1,0]=4 1360 B13R1.338 O=C(O)C1=CC=C(C=C1)S(=O)(=O)F Z56756006 [0,2,0,0,0,0|1,1,0]=4 1361 B13R1.338 O=C(O)C1=CC=C(C=C1)S(=O)(=O)O Z1269169205 [0,2,0,0,0,0|1,1,0]=4 1362 B13R1.120 CC(=O)C1=C(C=C(C=C1)C(=O)O)C Z1262516363 [0,2,0,0,0,0|1,0,0]=3 1363 B13R1.120 CC(=O)C1=C(C=C(C=C1)C(=O)O)F Z1681383107 [0,2,0,0,0,0|1,0,0]=3 1364 B13R1.120 CC(=O)C1=C(C=C(C=C1)C(=O)O)O Z1262514240 [0,2,0,0,0,0|1,0,0]=3 1365 B13R1.120 CC(=O)C1=C(C=C(C=C1)N(C)C)O Z1255387915 [0,2,0,0,0,0|2,0,0]=4 1366 B13R1.120 CC(=O)C1=CC(=C(C=C1)C(=O)N)F Z1609185404 [0,2,0,0,0,0|2,0,0]=4 1367 B13R1.120 CC(=O)C1=CC(=C(C=C1)C(=O)O)F Z1262558957 [0,2,0,0,0,0|1,0,0]=3 1368 B13R1.120 CC(=O)C1=CC=C(C(=O)N1)C(=O)O Z1258795373 [0,2,0,0,0,0|2,0,0]=4 1369 B13R1.120 CC(C)C1=C(C=C(C=C1)C(=O)O)Cl Z1262516670 [0,2,0,0,0,0|1,0,0]=3 1370 B13R1.120 CC(C)C1=C(C=C(C=C1)C(=O)O)F Z1171157991 [0,2,0,0,0,0|1,0,0]=3 1371 B13R1.120 CC(C)C1=CC(=C(C=C1)C(=O)O)O Z367679386 [0,2,0,0,0,0|1,0,0]=3 1372 B13R1.120 CC(C)C1=CC=C(C(=O)N1)C(=O)O Z431947160 [0,2,0,0,0,0|2,0,0]=4 1373 B13R1.120 CC(C)N1C=CC(=CC1=O)C(=O)O Z1557326608 [0,2,0,0,0,0|2,0,0]=4 1374 B13R1.120 CC1=C(C=CC(=C1)B(O)O)C(=O)O Z1198184367 [0,2,0,0,0,0|2,0,0]=4 1375 B13R1.120 CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-] Z57914810 [0,2,0,0,0,0|2,0,0]=4 1376 B13R1.120 CC1=C(C=CC(=C1)C(C)C)C(=O)O Z1262518693 [0,2,0,0,0,0|1,0,0]=3 1377 B13R1.120 CC1=C(C=CC(=C1)N(C)C)P(=O)O Z1198155497 [0,2,0,0,0,0|2,0,0]=4 1378 B13R1.120 CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O Z850331524 [0,2,0,0,0,0|2,0,0]=4 1379 B13R1.120 CC1=C(C=CC(=N1)C(C)C)C(=O)O Z2216303128 [0,2,0,0,0,0|2,0,0]=4 1380 B13R1.120 CN(C)C1=C(C=C(C=C1)C(=O)N)N Z1165158977 [0,2,0,0,0,0|2,0,0]=4 1381 B13R1.120 CN(C)C1=C(C=C(C=C1)C(=O)O)F Z335441410 [0,2,0,0,0,0|1,0,0]=3 1382 B13R1.120 CN(C)C1=C(C=C(C=N1)C(=O)O)Cl Z330799454 [0,2,0,0,0,0|2,0,0]=4 1383 B13R1.120 CN(C)C1=CC(=C(C=C1)C(=O)O)F Z1434892857 [0,2,0,0,0,0|1,0,0]=3 1384 B13R1.120 NC(=O)C1=C(C=C(C=C1)C(=O)O)Cl Z3210757706 [0,2,0,0,0,0|2,0,0]=4 1385 B13R1.120 NC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O Z56899198 [0,2,0,0,0,0|2,0,0]=4 1386 B13R1.120 O=C(O)C1=C(C=C(C=C1)B(O)O)Cl Z1269125656 [0,2,0,0,0,0|2,0,0]=4 1387 B13R1.120 O=C(O)C1=C(C=C(C=C1)B(O)O)F Z1171974293 [0,2,0,0,0,0|2,0,0]=4 1388 B13R1.120 O=C(O)C1=C(C=C(C=C1)C(F)F)F Z1262561456 [0,2,0,0,0,0|2,0,0]=4 1389 B13R1.120 O=C(O)C1=C(C=C(C=C1)[N+](=O)[O-])Br Z1238547381 [0,2,0,0,0,0|2,0,0]=4 1390 B13R1.120 O=C(O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl Z57915332 [0,2,0,0,0,0|2,0,0]=4 1391 B13R1.120 O=C(O)C1=C(C=C(C=C1)[N+](=O)[O-])F Z609263558 [0,2,0,0,0,0|2,0,0]=4 1392 B13R1.120 O=C(O)C1=C(C=C(C=C1)[N+](=O)[O-])I Z991517184 [0,2,0,0,0,0|2,0,0]=4 1393 B13R1.120 O=C(O)C1=C(C=C(C=C1)[N+](=O)[O-])O Z858215338 [0,2,0,0,0,0|2,0,0]=4 1394 B13R1.120 O=C(O)C1=CC(=C(C=C1)B(O)O)F Z1171974294 [0,2,0,0,0,0|2,0,0]=4 1395 B13R1.120 O=C(O)C1=CC(=C(C=C1)C(=O)O)O Z1198233600 [0,2,0,0,0,0|2,0,0]=4 1396 B13R1.120 O=C(O)C1=CC(=C(C=C1)C(F)F)F Z2035299503 [0,2,0,0,0,0|2,0,0]=4 1397 B13R1.120 O=C(O)C1=CC(=C(C=C1)[N+](=O)[O-])Cl Z1259161443 [0,2,0,0,0,0|2,0,0]=4 1398 B13R1.120 O=C(O)C1=CC(=C(C=C1)[N+](=O)[O-])F Z995046708 [0,2,0,0,0,0|2,0,0]=4 1399 B13R1.120 O=C(O)C1=CC(=C(C=C1)[N+](=O)[O-])O Z85939519 [0,2,0,0,0,0|2,0,0]=4 1400 B13R1.144 CCCC1=C(C=C(C=C1)C(=O)O)N Z1262513578 [0,2,0,0,0,0|1,0,0]=3 1401 B13R1.144 CCNC1=C(C=C(C=C1)C(=O)N)N Z424797750 [0,2,0,0,0,0|2,0,0]=4 1402 B13R1.144 CCNC1=C(C=C(C=C1)C(=O)O)N Z56885818 [0,2,0,0,0,0|1,0,0]=3 1403 B13R1.144 CCNC1=C(C=C(C=N1)C(=O)O)Cl Z330796316 [0,2,0,0,0,0|2,0,0]=4 1404 B13R1.144 CCOC1=C(C=C(C=C1)B(O)O)C Z1098335303 [0,2,0,0,0,0|1,0,1]=4 1405 B13R1.144 CCOC1=C(C=C(C=C1)B(O)O)F Z1255458150 [0,2,0,0,0,0|1,0,1]=4 1406 B13R1.144 CCOC1=C(C=C(C=C1)C(=O)O)C Z995146744 [0,2,0,0,0,0|0,0,0]=2 1407 B13R1.144 CCOC1=C(C=C(C=C1)C(=O)O)O Z1255400792 [0,2,0,0,0,0|0,0,0]=2 1408 B13R1.144 CCOC1=C(C=C(C=C1)[N+](=O)[O-])N Z991540744 [0,2,0,0,0,0|1,0,1]=4 1409 B13R1.144 CCOC1=C(C=C(C=N1)C(=O)O)Cl Z240114984 [0,2,0,0,0,0|1,0,0]=3 1410 B13R1.144 COCC1=C(C=C(C=C1)C(=O)O)F Z1080715152 [0,2,0,0,0,0|0,0,0]=2 1411 B13R1.144 O=C(O)C1=CC(=O)N(C=C1)CCO Z1557326695 [0,2,0,0,0,0|2,0,0]=4 1412 B13R1.652 CCC1=C(C=C(C(=C1)F)C(=O)O)F Z2755951401 [0,2,0,0,0,0|1,0,0]=3 1413 B13R1.652 CCC1=C(C=C(C(=C1)N)C(=O)O)F Z2065639825 [0,2,0,0,0,0|1,0,0]=3 1414 B13R1.652 CCC1=C(C=C(C(=O)N1)C(=O)O)C Z839026728 [0,2,0,0,0,0|2,0,0]=4 1415 B13R1.652 COC1=C(C=C(C(=C1)Br)C(=O)O)F Z1939446978 [0,2,0,0,0,0|0,0,0]=2 1416 B13R1.652 COC1=C(C=C(C(=C1)C)B(O)O)C Z1201623917 [0,2,0,0,0,0|1,0,1]=4 1417 B13R1.652 COC1=C(C=C(C(=C1)C)C(=O)C)C Z1198331248 [0,2,0,0,0,0|1,0,0]=3 1418 B13R1.652 COC1=C(C=C(C(=C1)C)C(=O)O)Br Z1269112086 [0,2,0,0,0,0|0,0,0]=2 1419 B13R1.652 COC1=C(C=C(C(=C1)C)C(=O)O)Cl Z1718490464 [0,2,0,0,0,0|0,0,0]=2 1420 B13R1.652 COC1=C(C=C(C(=C1)C)C(C)O)C Z1255466885 [0,2,0,0,0,0|1,0,1]=4 1421 B13R1.652 COC1=C(C=C(C(=C1)C)S(=O)C)O Z1513901836 [0,2,0,0,0,0|2,0,0]=4 1422 B13R1.652 COC1=C(C=C(C(=C1)Cl)B(O)O)Cl Z1269212159 [0,2,0,0,0,0|1,0,1]=4 1423 B13R1.652 COC1=C(C=C(C(=C1)Cl)C(=O)O)Cl Z1416168819 [0,2,0,0,0,0|0,0,0]=2 1424 B13R1.652 COC1=C(C=C(C(=C1)F)C(=O)O)Br Z1486020858 [0,2,0,0,0,0|0,0,0]=2 1425 B13R1.652 COC1=C(C=C(C(=C1)F)C(=O)O)N Z3002948365 [0,2,0,0,0,0|0,0,0]=2 1426 B13R1.652 COC1=C(C=C(C(=C1)N)C(=O)O)Br Z1318418561 [0,2,0,0,0,0|0,0,0]=2 1427 B13R1.652 COC1=C(C=C(C(=C1)N)C(=O)O)Cl Z1508939251 [0,2,0,0,0,0|0,0,0]=2 1428 B13R1.652 COC1=C(C=C(C(=C1)N)C(=O)O)F Z1618107109 [0,2,0,0,0,0|0,0,0]=2 1429 B13R1.652 COC1=C(C=C(C(=C1)N)C(=O)O)I Z2311273417 [0,2,0,0,0,0|0,0,0]=2 1430 B13R1.652 COC1=C(C=C(C(=C1)N)C(=O)O)O Z1255463445 [0,2,0,0,0,0|0,0,0]=2 1431 B13R1.652 COC1=C(C=C(C(=C1)O)C(=O)C)Cl Z1269126405 [0,2,0,0,0,0|1,0,0]=3 1432 B13R1.652 COC1=C(C=C(C(=C1)O)C(=O)O)Br Z1269156689 [0,2,0,0,0,0|0,0,0]=2 1433 B13R1.652 COC1=CN(C(=CC1=O)C(=O)O)C Z1198159164 [0,2,0,0,0,0|1,0,0]=3 1434 B13R1.652 O=CC1=CC(=C(C=C1F)C(=O)O)F Z2670839302 [0,2,0,0,0,0|2,0,0]=4 1435 B13R1.3091 C=C(C)C1=CC(=C(C=C1)OC)OC Z1238836374 [0,2,0,0,0,0|2,0,0]=4 1436 B13R1.3091 CCC1=C(C=C(C=C1)C(=O)O)C#N Z1262556666 [0,2,0,0,0,0|1,0,0]=3 1437 B13R1.3091 CCC1=C(C=C(C=C1)C(=O)O)CC Z1262524593 [0,2,0,0,0,0|1,0,0]=3 1438 B13R1.3091 CCC1=C(C=C(C=C1)C(=O)O)OC Z1198232631 [0,2,0,0,0,0|1,0,0]=3 1439 B13R1.3091 CCC1=C(C=CC(=C1)C(=O)O)OC Z1255466895 [0,2,0,0,0,0|0,0,0]=2 1440 B13R1.3091 CNC1=C(C=CC(=C1)[N+](=O)[O-])OC Z56871728 [0,2,0,0,0,0|1,0,1]=4 1441 B13R1.3091 COC1=C(C=C(C=C1)B(O)O)C#N Z1198277518 [0,2,0,0,0,0|1,0,1]=4 1442 B13R1.3091 COC1=C(C=C(C=C1)B(O)O)CO Z1255459290 [0,2,0,0,0,0|1,0,1]=4 1443 B13R1.3091 COC1=C(C=C(C=C1)B(O)O)OC Z336079998 [0,2,0,0,0,0|1,0,1]=4 1444 B13R1.3091 COC1=C(C=C(C=C1)C(=O)C)C#N Z1255435976 [0,2,0,0,0,0|1,0,0]=3 1445 B13R1.3091 COC1=C(C=C(C=C1)C(=O)C)CCl Z90124792 [0,2,0,0,0,0|1,0,0]=3 1446 B13R1.3091 COC1=C(C=C(C=C1)C(=O)C)CO Z228585632 [0,2,0,0,0,0|1,0,0]=3 1447 B13R1.3091 COC1=C(C=C(C=C1)C(=O)C)OC Z54182939 [0,2,0,0,0,0|1,0,0]=3 1448 B13R1.3091 COC1=C(C=C(C=C1)C(=O)N)OC Z33546772 [0,2,0,0,0,0|1,0,0]=3 1449 B13R1.3091 COC1=C(C=C(C=C1)C(=O)O)C=O Z1255436097 [0,2,0,0,0,0|0,0,0]=2 1450 B13R1.3091 COC1=C(C=C(C=C1)C(=O)O)OC Z104478452 [0,2,0,0,0,0|0,0,0]=2 1451 B13R1.3091 COC1=C(C=C(C=C1)C(=S)N)OC Z56998594 [0,2,0,0,0,0|1,1,0]=4 1452 B13R1.3091 COC1=C(C=C(C=C1)C(C)O)OC Z228586178 [0,2,0,0,0,0|1,0,1]=4 1453 B13R1.3091 COC1=C(C=C(C=C1)[N+](=O)[O-])CCl Z57036275 [0,2,0,0,0,0|1,0,1]=4 1454 B13R1.3091 COC1=C(C=C(C=C1)[N+](=O)[O-])CN Z124320350 [0,2,0,0,0,0|1,0,1]=4 1455 B13R1.3091 COC1=C(C=CC(=C1)C(=O)C)SC Z927375054 [0,2,0,0,0,0|1,1,0]=4 1456 B13R1.3091 COC1=C(C=CC(=C1)C(=O)O)C#N Z1255464361 [0,2,0,0,0,0|2,0,0]=4 1457 B13R1.3091 COC1=C(C=CC(=C1)C(=O)O)C=O Z1262528048 [0,2,0,0,0,0|2,0,0]=4 1458 B13R1.3091 COC1=C(N=C(C=C1)C(=O)O)OC Z1201625961 [0,2,0,0,0,0|1,0,0]=3 1459 B13R1.3096 COC1=C(C(=C(C=C1)B(O)O)C)F Z1681361400 [0,2,0,0,0,0|1,0,1]=4 1460 B13R1.3096 COC1=C(C(=C(C=C1)B(O)O)Cl)F Z1504689254 [0,2,0,0,0,0|1,0,1]=4 1461 B13R1.3096 COC1=C(C(=C(C=C1)B(O)O)F)F Z1201624025 [0,2,0,0,0,0|1,0,1]=4 1462 B13R1.3096 COC1=C(C(=C(C=C1)C(=O)O)Br)F Z1946018895 [0,2,0,0,0,0|0,0,0]=2 1463 B13R1.3096 COC1=C(C(=C(C=C1)C(=O)O)F)F Z1201622339 [0,2,0,0,0,0|0,0,0]=2 1464 B13R1.3096 COC1=C(C(=C(C=C1)C(=O)O)N)Cl Z1508932746 [0,2,0,0,0,0|0,0,0]=2 1465 B13R1.3096 COC1=C(C(=C(C=C1)C(=O)O)N)F Z1267774044 [0,2,0,0,0,0|0,0,0]=2 1466 B13R1.3096 COC1=C(C(=C(C=C1)C(=O)O)O)F Z3243598160 [0,2,0,0,0,0|0,0,0]=2 1467 B13R1.3096 N#CC1=C(C(=C(C=C1)C(=O)O)Br)F Z2310118497 [0,2,0,0,0,0|2,0,0]=4 1468 B13R1.3380 CCC1=C(C=C(C=C1Br)C(=O)O)Br Z1989505014 [0,2,0,0,0,0|1,0,0]=3 1469 B13R1.3380 COC1=C(C=C(C=C1Br)[N+](=O)[O-])Br Z56871716 [0,2,0,0,0,0|1,0,1]=4 1470 B13R1.3380 COC1=C(C=C(C=C1C)B(O)O)Cl Z1269205404 [0,2,0,0,0,0|1,0,1]=4 1471 B13R1.3380 COC1=C(C=C(C=C1C)C(=O)C)Cl Z1504675594 [0,2,0,0,0,0|1,0,0]=3 1472 B13R1.3380 COC1=C(C=C(C=C1C)C(=O)O)C Z361435118 [0,2,0,0,0,0|0,0,0]=2 1473 B13R1.3380 COC1=C(C=C(C=C1C)C(=O)O)Cl Z1504689389 [0,2,0,0,0,0|0,0,0]=2 1474 B13R1.3380 COC1=C(C=C(C=C1Cl)C(=O)N)Cl Z101186172 [0,2,0,0,0,0|1,0,0]=3 1475 B13R1.3380 COC1=C(C=C(C=C1Cl)C(=O)O)Cl Z57441607 [0,2,0,0,0,0|0,0,0]=2 1476 B13R1.3380 N#CC1=C(C=C(C=C1F)C(=O)O)F Z1681383029 [0,2,0,0,0,0|2,0,0]=4 1477 B13R1.3380 O=CC1=C(C=C(C=C1F)C(=O)O)F Z1198233472 [0,2,0,0,0,0|2,0,0]=4 1478 B13R1.74 C#CCOC1=CC=C(C=C1)C(=O)C Z54955554 [0,2,0,0,0,0|1,0,0]=3 1479 B13R1.74 C#CCOC1=CC=C(C=C1)C(=O)O Z118453292 [0,2,0,0,0,0|0,0,0]=2 1480 B13R1.74 C#CCOC1=CC=C(C=C1)C(C)O Z425762754 [0,2,0,0,0,0|1,0,1]=4 1481 B13R1.74 C#CCOC1=CC=C(C=C1)[N+](=O)[O-] Z51177329 [0,2,0,0,0,0|1,0,1]=4 1482 B13R1.74 C=CCOC1=CC=C(C=C1)C(=O)N Z111505666 [0,2,0,0,0,0|1,0,0]=3 1483 B13R1.74 C=CCOC1=CC=C(C=C1)C(=O)O Z111782346 [0,2,0,0,0,0|0,0,0]=2 1484 B13R1.74 CC(=O)C1=CC=C(C=C1)OCC#N Z53791514 [0,2,0,0,0,0|1,0,0]=3 1485 B13R1.74 CCCCC1=CC=C(C=C1)C(=O)O Z57169481 [0,2,0,0,0,0|1,0,0]=3 1486 B13R1.74 CCCOC1=CC=C(C=C1)C(=O)C Z53832963 [0,2,0,0,0,0|1,0,0]=3 1487 B13R1.74 CCCOC1=CC=C(C=C1)C(=O)O Z56862795 [0,2,0,0,0,0|0,0,0]=2 1488 B13R1.74 CCCSC1=CC=C(C=C1)C(=O)O Z239951692 [0,2,0,0,0,0|0,1,0]=3 1489 B13R1.74 CCSCC1=CC=C(C=C1)C(=O)O Z149347580 [0,2,0,0,0,0|0,1,0]=3 1490 B13R1.74 CO/N=C/C1=CC=C(C=C1)C(=O)O Z55992985 [0,2,0,0,0,0|0,0,0]=2 1491 B13R1.74 COCCC1=CC=C(C=C1)B(O)O Z381541066 [0,2,0,0,0,0|1,0,1]=4 1492 B13R1.74 COCOC1=CC=C(C=C1)C(=O)O Z149150724 [0,2,0,0,0,0|0,0,0]=2 1493 B13R1.74 N#CCSC1=CC=C(C=C1)C(=O)O Z228030840 [0,2,0,0,0,0|0,1,0]=3 1494 B13R1.74 NCCCC1=CC=C(C=C1)C(=O)O Z4493174887 [0,2,0,0,0,0|1,0,0]=3 1495 B13R1.74 NCCOC1=CC=C(C=C1)C(=O)O Z2901994635 [0,2,0,0,0,0|0,0,0]=2 1496 B13R1.74 NCCOC1=CC=C(C=C1)[N+](=O)[O-] Z2466331835 [0,2,0,0,0,0|1,0,1]=4 1497 B13R1.74 O=C(O)C1=CC=C(C=C1)NCCO Z228588946 [0,2,0,0,0,0|1,0,0]=3 1498 B13R1.74 O=C(O)C1=CC=C(C=C1)OCCF Z1262520598 [0,2,0,0,0,0|0,0,0]=2 1499 B13R1.74 O=C(O)C1=CC=C(C=C1)OCCO Z118461560 [0,2,0,0,0,0|0,0,0]=2 1500 B13R1.74 O=C(O)C1=NC=C(C=C1)OCCF Z4280333103 [0,2,0,0,0,0|1,0,0]=3 1501 B13R1.74 O=[N+]([O-])C1=CC=C(C=C1)OCCBr Z285922196 [0,2,0,0,0,0|1,0,1]=4 1502 B13R1.74 O=[N+]([O-])C1=CC=C(C=C1)OCCO Z71183286 [0,2,0,0,0,0|1,0,1]=4 1503 B13R1.385 CCOC1=CC(=C(C=C1)B(O)O)F Z1198181581 [0,2,0,0,0,0|1,0,1]=4 1504 B13R1.385 CCOC1=CC(=C(N=C1)C(=O)O)Cl Z1999517361 [0,2,0,0,0,0|1,0,0]=3 1505 B13R1.385 COCC1=NC(=C(C=N1)C(=O)O)N Z1699863296 [0,2,0,0,0,0|2,0,0]=4 1506 B13R1.99 CCC1=C(C=CC(=C1)OC)C(=O)O Z1255449510 [0,2,0,0,0,0|0,0,0]=2 1507 B13R1.99 COC1=C(C=CC(=C1)C#N)C(=O)O Z1198330390 [0,2,0,0,0,0|2,0,0]=4 1508 B13R1.99 COC1=C(C=CC(=C1)C=O)C(=O)O Z1262517185 [0,2,0,0,0,0|2,0,0]=4 1509 B13R1.99 COC1=C(C=CC(=C1)CO)C(=O)O Z1262514029 [0,2,0,0,0,0|2,0,0]=4 1510 B13R1.99 COC1=C(C=CC(=C1)SC)C(=O)N Z33546776 [0,2,0,0,0,0|1,1,0]=4 1511 B13R1.99 COC1=C(C=CC(=C1)SC)C(=O)O Z104477850 [0,2,0,0,0,0|0,1,0]=3 1512 B13R1.99 COC1=CC(=C(C=C1)B(O)O)OC Z336080000 [0,2,0,0,0,0|1,0,1]=4 1513 B13R1.99 COC1=CC(=C(C=C1)C(=O)C)OC Z54850161 [0,2,0,0,0,0|1,0,0]=3 1514 B13R1.99 COC1=CC(=C(C=C1)C(=O)N)OC Z33546669 [0,2,0,0,0,0|1,0,0]=3 1515 B13R1.99 COC1=CC(=C(C=C1)C(=O)O)C=O Z1198727782 [0,2,0,0,0,0|0,0,0]=2 1516 B13R1.99 COC1=CC(=C(C=C1)C(=O)O)OC Z104476538 [0,2,0,0,0,0|0,0,0]=2 1517 B13R1.99 COC1=CC(=C(C=C1)C(=S)N)OC Z56995179 [0,2,0,0,0,0|1,1,0]=4 1518 B13R1.99 COC1=CC(=C(C=C1)[N+](=O)[O-])CN Z5630869846 [0,2,0,0,0,0|1,0,1]=4 1519 B13R1.99 COC1=NC(=C(C=C1)C(=O)C)OC Z1255489949 [0,2,0,0,0,0|2,0,0]=4 1520 B13R1.99 COC1=NC(=C(C=C1)C(=O)O)OC Z1255415671 [0,2,0,0,0,0|1,0,0]=3 1521 B13R1.99 COC1=NC(=C(N=C1)C(=O)O)OC Z1650167480 [0,2,0,0,0,0|2,0,0]=4 1522 B13R1.99 N#CC1=CC(=C(C=C1)C(=O)O)C=O Z1198304563 [0,2,0,0,0,0|2,0,0]=4 1523 B13R1.428 CC1=CC(=CC(=C1C(=O)O)C)C#N Z1262520402 [0,2,0,0,0,0|2,0,0]=4 1524 B13R1.428 CCC1=CC(=C(C(=C1)F)C(=O)O)F Z2755951402 [0,2,0,0,0,0|1,0,0]=3 1525 B13R1.428 CCC1=CC(=C(C(=C1)N)C(=O)O)F Z2755973013 [0,2,0,0,0,0|1,0,0]=3 1526 B13R1.428 COC1=CC(=C(C(=C1)C)C(=O)C)C Z1198164666 [0,2,0,0,0,0|1,0,0]=3 1527 B13R1.428 COC1=CC(=C(C(=C1)C)C(=O)O)C Z1198156438 [0,2,0,0,0,0|0,0,0]=2 1528 B13R1.428 COC1=CC(=C(C(=C1)C)C(=O)O)F Z1681354695 [0,2,0,0,0,0|0,0,0]=2 1529 B13R1.428 COC1=CC(=C(C(=C1)F)C(=O)O)Cl Z1999523739 [0,2,0,0,0,0|0,0,0]=2 1530 B13R1.428 COC1=CC(=C(C(=C1)F)C(=O)O)F Z645299590 [0,2,0,0,0,0|0,0,0]=2 1531 B13R1.428 COC1=CC(=C(C(=C1)F)C(C)O)F Z756118498 [0,2,0,0,0,0|1,0,1]=4 1532 B13R1.428 COC1=CC(=C(C(=C1)F)[N+](=O)[O-])F Z645314146 [0,2,0,0,0,0|1,0,1]=4 1533 B13R1.428 COC1=CC(=C(C(=C1)N)C(=O)O)Br Z1269167976 [0,2,0,0,0,0|0,0,0]=2 1534 B13R1.428 COC1=CC(=C(C(=C1)N)C(=O)O)F Z1430526299 [0,2,0,0,0,0|0,0,0]=2 1535 B13R1.428 N#CC1=CC(=C(C(=C1)Cl)C(=O)O)Cl Z1269199663 [0,2,0,0,0,0|2,0,0]=4 1536 B13R1.428 N#CC1=CC(=C(C(=C1)F)C(=O)O)F Z1198233477 [0,2,0,0,0,0|2,0,0]=4 1537 B13R1.428 NCC1=CC(=C(C(=C1)F)C(=O)O)F Z2186882749 [0,2,0,0,0,0|2,0,0]=4 1538 B13R1.428 O=CC1=CC(=C(C(=C1)F)C(=O)O)Br Z3325789349 [0,2,0,0,0,0|2,0,0]=4 1539 B13R1.428 O=CC1=CC(=C(C(=C1)F)C(=O)O)F Z1255430066 [0,2,0,0,0,0|2,0,0]=4 1540 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)Br Z1269235887 [0,0,1,1,0,0|2,0,0]=4 1541 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)C Z56899190 [0,0,1,1,0,0|1,0,1]=4 1542 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)Cl Z1201618851 [0,0,1,1,0,0|2,0,0]=4 1543 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)F Z1201617985 [0,0,1,1,0,0|2,0,0]=4 1544 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)I Z239685230 [0,0,1,1,0,0|2,0,0]=4 1545 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)N Z94600359 [0,0,1,1,0,0|2,0,0]=4 1546 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)O Z56917421 [0,0,1,1,0,0|2,0,0]=4 1547 B11R1.159 CN1C=CC=C(C1=O)C(=O)O Z852222336 [0,0,1,1,0,0|2,0,0]=4 1548 B11R2.34 CC1=CC=C(C=C1)C2CO2 Z278165170 [1,0,0,1,0,0|1,0,1]=4 1549 B13R2.16 COC1=CC=C(C=C1)C2OC2C Z278165290 [0,0,0,1,0,1|1,0,1]=4 1550 B13R2.16 COC1=CC=C(C=C1)[C@@H]2O[C@H]2C Z2527564242 [0,0,0,1,0,1|1,0,1]=4 1551 B13R2.1279 O=C(O)CC1=CC2=C(C=C1)CC2 Z1551937159 [0,0,0,1,0,1|1,0,0]=3 1552 B13R2.2121 CCC1=CC2=C(C=C1)N=C(N2)O Z1766245361 [0,0,0,1,0,1|2,0,0]=4 1553 B13R2.2121 COC1=CC2=C(C=C1)N=C(S2)C Z90123542 [0,0,0,1,0,1|1,1,0]=4 1554 B13R2.2121 COC1=CC2=C(C=C1)N=C(S2)N Z56756338 [0,0,0,1,0,1|1,1,0]=4 1555 B13R2.2121 COC1=CC2=C(C=C1)NC(=C2)C Z1197882538 [0,0,0,1,0,1|2,0,0]=4 1556 B13R2.2121 COC1=CC2=C(C=C1)NC(=N2)C Z1587257377 [0,0,0,1,0,1|2,0,0]=4 1557 B13R2.2121 COC1=CC2=C(C=C1)NC(=N2)N Z1198160975 [0,0,0,1,0,1|2,0,0]=4 1558 B13R2.2121 COC1=CC2=C(C=C1)NC(=N2)S Z221604426 [0,0,0,1,0,1|1,1,0]=4 1559 B13R2.2121 COC1=CC2=C(C=C1)OC(=N2)N Z1255435333 [0,0,0,1,0,1|2,0,0]=4 1560 B13R2.2121 COC1=NC=C2CC(=O)NC2=C1 Z1198180903 [0,0,0,1,0,1|2,0,0]=4 1561 B13R2.2121 N#CC1=CC2=C(C=C1)NC(=O)O2 Z1255403754 [0,0,0,1,0,1|2,0,0]=4 1562 B13R2.2121 O=CC1=CC2=C(C=C1)NC(=O)O2 Z385370014 [0,0,0,1,0,1|2,0,0]=4 1563 B13R2.2121 O=CC1=CC2=C(C=C1)OC(=O)O2 Z1511745480 [0,0,0,1,0,1|2,0,0]=4 1564 B13R2.2130 COC1=CC2=C(C=C1)B(OC2)O Z1198279536 [0,1,0,1,0,0|1,0,1]=4 1565 B13R2.2130 COC1=CC2=C(C=C1)C(=CN2)C Z1255420864 [0,1,0,1,0,0|2,0,0]=4 1566 B13R2.2130 COC1=CC2=C(C=C1)C(=NO2)N Z1216820032 [0,1,0,1,0,0|1,0,0]=3 1567 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CC2 Z1203162378 [0,1,0,1,0,0|1,0,0]=3 1568 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 Z1089974846 [0,1,0,1,0,0|0,0,0]=2 1569 B13R2.2130 COC1=CC2=C(C=C1)C(=O)NC2 Z1198177422 [0,1,0,1,0,0|1,0,0]=3 1570 B13R2.2130 COC1=CC2=C(C=C1)C(=O)NN2 Z2160914711 [0,1,0,1,0,0|1,0,0]=3 1571 B13R2.2130 COC1=CC2=C(C=C1)C(=O)NO2 Z1255432717 [0,1,0,1,0,0|0,0,0]=2 1572 B13R2.2130 COC1=CC2=NNC(=C2C=C1)N Z1889917114 [0,1,0,1,0,0|2,0,0]=4 1573 B13R2.2130 NCC1=CC2=C(C=C1)C(=O)OC2 Z4646459268 [0,1,0,1,0,0|2,0,0]=4 1574 B13R2.430 CC(=O)C1=CC2=C(C=C1)CCC2 Z90665628 [0,1,0,1,0,0|2,0,0]=4 1575 B13R2.430 CC(=O)C1=CC2=C(C=C1)CNC2 Z2306626530 [0,1,0,1,0,0|2,0,0]=4 1576 B13R2.430 CC(=O)C1=CC2=C(C=C1)COC2 Z851017722 [0,1,0,1,0,0|1,0,0]=3 1577 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCC2 Z212063108 [0,1,0,1,0,0|1,0,0]=3 1578 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 Z104477826 [0,1,0,1,0,0|1,0,0]=3 1579 B13R2.430 CC(O)C1=CC2=C(C=C1)OCC2 Z445987286 [0,1,0,1,0,0|1,0,1]=4 1580 B13R2.430 NC(=O)C1=CC2=C(C=C1)CCC2 Z49524894 [0,1,0,1,0,0|2,0,0]=4 1581 B13R2.430 NC(=O)C1=CC2=C(C=C1)COC2 Z955504160 [0,1,0,1,0,0|1,0,0]=3 1582 B13R2.430 NC(=O)C1=CC2=C(C=C1)NCC2 Z1696091761 [0,1,0,1,0,0|2,0,0]=4 1583 B13R2.430 NC(=O)C1=CC2=C(C=C1)OCC2 Z337983212 [0,1,0,1,0,0|1,0,0]=3 1584 B13R2.430 NC(=O)C1=CC2=C(C=C1)OCO2 Z33546650 [0,1,0,1,0,0|1,0,0]=3 1585 B13R2.430 NC(=S)C1=CC2=C(C=C1)OCO2 Z381430268 [0,1,0,1,0,0|1,1,0]=4 1586 B13R2.430 O=C(O)C1=CC2=C(C=C1)C=NN2 Z235348199 [0,1,0,1,0,0|2,0,0]=4 1587 B13R2.430 O=C(O)C1=CC2=C(C=C1)C=NO2 Z1551943591 [0,1,0,1,0,0|2,0,0]=4 1588 B13R2.430 O=C(O)C1=CC2=C(C=C1)C=NS2 Z1258976720 [0,1,0,1,0,0|2,0,0]=4 1589 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCC2 Z85936364 [0,1,0,1,0,0|1,0,0]=3 1590 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCN2 Z2895200811 [0,1,0,1,0,0|1,0,0]=3 1591 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCO2 Z1198272392 [0,1,0,1,0,0|1,0,0]=3 1592 B13R2.430 O=C(O)C1=CC2=C(C=C1)CNC2 Z1142498037 [0,1,0,1,0,0|1,0,0]=3 1593 B13R2.430 O=C(O)C1=CC2=C(C=C1)COC2 Z940646330 [0,1,0,1,0,0|0,0,0]=2 1594 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=NN2 Z1718361949 [0,1,0,1,0,0|2,0,0]=4 1595 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 Z1118536235 [0,1,0,1,0,0|1,0,1]=4 1596 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=N2 Z56922116 [0,1,0,1,0,0|1,0,1]=4 1597 B13R2.430 O=C(O)C1=CC2=C(C=C1)NN=C2 Z235353827 [0,1,0,1,0,0|1,0,1]=4 1598 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 Z1201620762 [0,1,0,1,0,0|0,0,1]=3 1599 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=N2 Z1198266513 [0,1,0,1,0,0|0,0,1]=3 1600 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 Z104476884 [0,1,0,1,0,0|0,0,0]=2 1601 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 Z1198165376 [0,1,0,1,0,0|0,1,1]=4 1602 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=N2 Z1203159514 [0,1,0,1,0,0|0,1,1]=4 1603 B13R2.430 O=C(O)C1=CC2=C(C=C1)SN=C2 Z1255464724 [0,1,0,1,0,0|0,1,1]=4 1604 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 Z385481296 [0,1,0,1,0,0|1,0,1]=4 1605 B13R2.430 O=C(O)C1=CC2=C(C=CS2)C=C1 Z1198183978 [0,1,0,1,0,0|1,0,1]=4 1606 B13R2.430 O=C(O)C1=CC2=C(CCC2)N=C1 Z1198183915 [0,1,0,1,0,0|2,0,0]=4 1607 B13R2.430 O=C(O)C1=CC2=C(CNC2)N=C1 Z3444493869 [0,1,0,1,0,0|2,0,0]=4 1608 B13R2.430 O=C(O)C1=CC2=C(N=C1)NCC2 Z3038435594 [0,1,0,1,0,0|2,0,0]=4 1609 B13R2.430 O=C(O)C1=CC2=C(N=C1)OC=C2 Z1198237740 [0,1,0,1,0,0|1,0,1]=4 1610 B13R2.430 O=C(O)C1=CC2=NON=C2C=C1 Z1255372852 [0,1,0,1,0,0|1,0,0]=3 1611 B13R2.430 O=C(O)C1=NC2=C(C=C1)CCC2 Z3071179012 [0,1,0,1,0,0|2,0,0]=4 1612 B13R2.430 O=C(O)C1=NC2=C(C=C1)CCN2 Z4630185001 [0,1,0,1,0,0|2,0,0]=4 1613 B13R2.430 O=C(O)C1=NC2=C(C=C1)CNC2 Z4658050345 [0,1,0,1,0,0|2,0,0]=4 1614 B13R2.430 O=C(O)C1=NC2=C(C=C1)OC=C2 Z1255440192 [0,1,0,1,0,0|1,0,1]=4 1615 B13R2.430 O=C(O)C1=NC2=C(C=C1)OC=N2 Z1551949931 [0,1,0,1,0,0|1,0,1]=4 1616 B13R2.430 O=C(O)C1=NC2=C(C=C1)OCC2 Z1813160090 [0,1,0,1,0,0|1,0,0]=3 1617 B13R2.430 O=C(O)C1=NC=C2OCOC2=C1 Z1255382393 [0,1,0,1,0,0|1,0,0]=3 1618 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)OCC2 Z1486003387 [0,1,0,1,0,0|1,0,1]=4 1619 B13R2.430 OB(O)C1=CC2=C(C=C1)OCC2 Z381541086 [0,1,0,1,0,0|1,0,1]=4 1620 B13R2.430 OB(O)C1=CC2=C(C=C1)OCO2 Z381540928 [0,1,0,1,0,0|1,0,1]=4 1621 B13R2.2396 COC1=C(C=C(C=C1)C2CO2)F Z316089178 [0,1,0,1,0,0|1,0,1]=4 1622 B13R2.428 O=C(O)C1=CC=C(C=C1)C2CC2 Z992239742 [0,1,0,1,0,0|1,0,0]=3 1623 B13R2.428 O=C(O)C1=CC=C(C=C1)C2CO2 Z1262512353 [0,1,0,1,0,0|0,0,0]=2 1624 B13R2.428 O=C(O)C1=CN=C(C=C1)C2CC2 Z5083291906 [0,1,0,1,0,0|2,0,0]=4 1625 B13R2.428 O=C(O)C1=NC=C(C=C1)C2CC2 Z1065600232 [0,1,0,1,0,0|2,0,0]=4 1626 B13R2.428 O=[N+]([O-])C1=CC=C(C=C1)C2CO2 Z56755866 [0,1,0,1,0,0|1,0,1]=4 1627 B9R0.42 C=C(CC(=O)OC)C(=O)O Z1201617378 [0,0,1,0,1,0|1,0,1]=4 1628 B9R1.21 CCC1=CC=C(N1)C=O Z1251356864 [1,0,0,0,1,0|2,0,0]=4 1629 B9R1.21 CCC1=CC=C(O1)C=O Z274774406 [1,0,0,0,1,0|2,0,0]=4 1630 B9R1.21 CCC1=CC=C(S1)C=O Z385369988 [1,0,0,0,1,0|2,0,0]=4 1631 B9R1.21 CCN1C=CC(=C1)C=O Z1255361868 [1,0,0,0,1,0|2,0,0]=4 1632 B9R1.21 COC1=CC=C(O1)C=O Z1309664827 [1,0,0,0,1,0|1,0,0]=3 1633 B9R1.21 COC1=CC=C(S1)C=O Z1255429054 [1,0,0,0,1,0|1,0,0]=3 1634 B9R1.21 COC1=NC(=CS1)C=O Z1216842200 [1,0,0,0,1,0|2,0,0]=4 1635 B9R1.21 COC1=NC=C(S1)C=O Z1198220900 [1,0,0,0,1,0|2,0,0]=4 1636 B9R1.21 COC1=NSC(=C1)C=O Z1216842689 [1,0,0,0,1,0|2,0,0]=4 1637 B9R1.21 CSC1=CC=C(N1)C=O Z1198158851 [1,0,0,0,1,0|1,1,0]=4 1638 B9R1.21 CSC1=CC=C(O1)C=O Z1157748816 [1,0,0,0,1,0|1,1,0]=4 1639 B9R1.21 CSC1=CC=C(S1)C=O Z367487368 [1,0,0,0,1,0|1,1,0]=4 1640 B9R1.35 CC(=O)C1=CC=C(O1)C Z94598638 [1,0,0,0,1,0|2,0,0]=4 1641 B9R1.35 CC(=O)C1=CN(C=C1)C Z1255475557 [1,0,0,0,1,0|2,0,0]=4 1642 B9R1.35 CC(=O)C1=CSC(=C1)C Z1238833318 [1,0,0,0,1,0|2,0,0]=4 1643 B9R1.35 CC1=CC(=CN1)C(=O)O Z1198267230 [1,0,0,0,1,0|1,0,0]=3 1644 B9R1.35 CC1=CC(=CO1)C(=O)O Z1205493994 [1,0,0,0,1,0|1,0,0]=3 1645 B9R1.35 CC1=CC(=CS1)C(=O)O Z979749380 [1,0,0,0,1,0|1,0,0]=3 1646 B9R1.35 CC1=CC(=NN1)C(=O)O Z752370868 [1,0,0,0,1,0|2,0,0]=4 1647 B9R1.35 CC1=CC=C(O1)C(=O)N Z33547151 [1,0,0,0,1,0|2,0,0]=4 1648 B9R1.35 CC1=CC=C(O1)C(=O)O Z56895714 [1,0,0,0,1,0|1,0,0]=3 1649 B9R1.35 CC1=CC=C(S1)C(=O)O Z104494884 [1,0,0,0,1,0|1,0,0]=3 1650 B9R1.35 CC1=CNC(=C1)C(=O)O Z1201622537 [1,0,0,0,1,0|1,0,0]=3 1651 B9R1.35 CC1=CNC(=N1)C(=O)O Z2265206911 [1,0,0,0,1,0|2,0,0]=4 1652 B9R1.35 CC1=COC(=C1)C(=O)O Z1205494707 [1,0,0,0,1,0|1,0,0]=3 1653 B9R1.35 CC1=CSC(=C1)C(=O)O Z1203160201 [1,0,0,0,1,0|1,0,0]=3 1654 B9R1.35 CC1=NC(=CN1)C(=O)O Z969202142 [1,0,0,0,1,0|2,0,0]=4 1655 B9R1.35 CC1=NC(=CS1)C(=O)O Z381356522 [1,0,0,0,1,0|2,0,0]=4 1656 B9R1.35 CC1=NC=C(S1)C(=O)O Z385373334 [1,0,0,0,1,0|2,0,0]=4 1657 B9R1.35 CC1=NOC(=C1)C(=O)O Z90660974 [1,0,0,0,1,0|2,0,0]=4 1658 B9R1.35 CC1=NSC(=C1)C(=O)O Z1198313658 [1,0,0,0,1,0|2,0,0]=4 1659 B9R1.35 CN1C=C(C=N1)C(=O)O Z99601198 [1,0,0,0,1,0|2,0,0]=4 1660 B9R1.35 CN1C=CC(=C1)C(=O)O Z1198315029 [1,0,0,0,1,0|1,0,0]=3 1661 B9R1.35 CN1C=CC(=N1)C(=O)O Z275170294 [1,0,0,0,1,0|2,0,0]=4 1662 B9R1.35 O=C(O)C1=CC(=CN1)Cl Z104341138 [1,0,0,0,1,0|2,0,0]=4 1663 B9R1.35 O=C(O)C1=CC(=CN1)I Z1183442837 [1,0,0,0,1,0|2,0,0]=4 1664 B9R1.35 O=C(O)C1=CC(=CO1)Br Z1198150497 [1,0,0,0,1,0|2,0,0]=4 1665 B9R1.35 O=C(O)C1=CC(=CS1)Br Z275128148 [1,0,0,0,1,0|2,0,0]=4 1666 B9R1.35 O=C(O)C1=CC(=CS1)F Z1198275133 [1,0,0,0,1,0|2,0,0]=4 1667 B9R1.35 O=C(O)C1=CC(=CS1)O Z1157742699 [1,0,0,0,1,0|1,0,0]=3 1668 B9R1.35 O=C(O)C1=CC(=NO1)O Z1198180707 [1,0,0,0,1,0|2,0,0]=4 1669 B9R1.35 O=C(O)C1=CC=C(N1)Cl Z1205496495 [1,0,0,0,1,0|2,0,0]=4 1670 B9R1.35 O=C(O)C1=CC=C(O1)Br Z57233752 [1,0,0,0,1,0|2,0,0]=4 1671 B9R1.35 O=C(O)C1=CC=C(O1)Cl Z119989852 [1,0,0,0,1,0|2,0,0]=4 1672 B9R1.35 O=C(O)C1=CC=C(O1)F Z1509050307 [1,0,0,0,1,0|2,0,0]=4 1673 B9R1.35 O=C(O)C1=CC=C(S1)Br Z56946865 [1,0,0,0,1,0|2,0,0]=4 1674 B9R1.35 O=C(O)C1=CC=C(S1)Cl Z56346822 [1,0,0,0,1,0|2,0,0]=4 1675 B9R1.35 O=C(O)C1=CC=C(S1)F Z1198175121 [1,0,0,0,1,0|2,0,0]=4 1676 B9R1.35 O=C(O)C1=CC=C(S1)I Z1269191681 [1,0,0,0,1,0|2,0,0]=4 1677 B9R1.35 O=C(O)C1=CNC(=C1)Br Z1171220840 [1,0,0,0,1,0|2,0,0]=4 1678 B9R1.35 O=C(O)C1=COC(=C1)Br Z255102436 [1,0,0,0,1,0|2,0,0]=4 1679 B9R1.35 O=C(O)C1=COC(=C1)Cl Z1255365854 [1,0,0,0,1,0|2,0,0]=4 1680 B9R1.35 O=C(O)C1=CSC(=C1)Br Z234969399 [1,0,0,0,1,0|2,0,0]=4 1681 B9R1.35 O=C(O)C1=CSC(=C1)Cl Z1198150257 [1,0,0,0,1,0|2,0,0]=4 1682 B9R1.35 O=C(O)C1=CSC(=C1)I Z952016278 [1,0,0,0,1,0|2,0,0]=4 1683 B11R1.20 CC(=O)CC1=CC=C(C=C1)F Z329711590 [1,0,0,0,0,1|2,0,0]=4 1684 B11R1.20 CC(=O)NC1=CC=C(C=C1)C Z28134680 [1,0,0,0,0,1|1,0,0]=3 1685 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl Z28161730 [1,0,0,0,0,1|2,0,0]=4 1686 B11R1.20 CC(=O)NC1=CC=C(C=C1)F Z27805821 [1,0,0,0,0,1|2,0,0]=4 1687 B11R1.20 CC(=O)NC1=CC=C(C=C1)I Z30316374 [1,0,0,0,0,1|2,0,0]=4 1688 B11R1.20 CC(=O)NC1=CC=C(C=C1)N Z56926521 [1,0,0,0,0,1|2,0,0]=4 1689 B11R1.20 CC(=O)NC1=CC=C(C=C1)O Z56946051 [1,0,0,0,0,1|1,0,0]=3 1690 B11R1.20 CC(=O)NC1=CC=C(C=C1)S Z104484984 [1,0,0,0,0,1|1,1,0]=4 1691 B11R1.20 CC(=O)OC1=CC=C(C=C1)O Z1198155166 [1,0,0,0,0,1|1,0,0]=3 1692 B11R1.20 CC1=CC=C(C=C1)CC(=N)N Z3244909870 [1,0,0,0,0,1|2,0,0]=4 1693 B11R1.20 CC1=CC=C(C=C1)CC(=O)O Z104507548 [1,0,0,0,0,1|0,0,0]=2 1694 B11R1.20 CC1=CC=C(C=C1)NC(=O)N Z56754677 [1,0,0,0,0,1|1,0,0]=3 1695 B11R1.20 CC1=CC=C(C=C1)NC(=S)N Z57965505 [1,0,0,0,0,1|1,1,0]=4 1696 B11R1.20 CC1=NC=C(C=C1)CC(=O)O Z424795892 [1,0,0,0,0,1|1,0,0]=3 1697 B11R1.20 NC(=O)CC1=CC=C(C=C1)Br Z33546958 [1,0,0,0,0,1|2,0,0]=4 1698 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl Z33546677 [1,0,0,0,0,1|2,0,0]=4 1699 B11R1.20 NC(=O)CC1=CC=C(C=C1)F Z33546755 [1,0,0,0,0,1|2,0,0]=4 1700 B11R1.20 NC(=O)CC1=CC=C(C=C1)N Z234895133 [1,0,0,0,0,1|2,0,0]=4 1701 B11R1.20 NC(=O)NC1=CC=C(C=C1)Br Z89283357 [1,0,0,0,0,1|2,0,0]=4 1702 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl Z56754682 [1,0,0,0,0,1|2,0,0]=4 1703 B11R1.20 NC(=O)NC1=CC=C(C=C1)F Z166687094 [1,0,0,0,0,1|2,0,0]=4 1704 B11R1.20 NC(=O)NC1=CC=C(C=C1)I Z56754684 [1,0,0,0,0,1|2,0,0]=4 1705 B11R1.20 NC(=O)NC1=CC=C(C=C1)N Z239123648 [1,0,0,0,0,1|2,0,0]=4 1706 B11R1.20 NC1=CC=C(C=C1)CC(=O)O Z104481066 [1,0,0,0,0,1|1,0,0]=3 1707 B11R1.20 O=C(Cl)CC1=CC=C(C=C1)Cl Z217293314 [1,0,0,0,0,1|2,0,0]=4 1708 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br Z90121253 [1,0,0,0,0,1|1,0,0]=3 1709 B11R1.20 O=C(O)CC1=CC=C(C=C1)Cl Z104477676 [1,0,0,0,0,1|1,0,0]=3 1710 B11R1.20 O=C(O)CC1=CC=C(C=C1)F Z104477312 [1,0,0,0,0,1|1,0,0]=3 1711 B11R1.20 O=C(O)CC1=CN=C(C=C1)Cl Z1165304038 [1,0,0,0,0,1|2,0,0]=4 1712 B11R1.20 O=C(O)CC1=CNC(=O)C=C1 Z1198338224 [1,0,0,0,0,1|1,0,1]=4 1713 B11R1.20 O=C(O)CC1=NC=C(C=C1)F Z1945984141 [1,0,0,0,0,1|2,0,0]=4 1714 B11R1.266 C#CC1=CC=CC(=C1)C(=O)O Z1198169474 [0,0,0,0,1,1|1,0,1]=4 1715 B11R1.266 C#CC1=CN=CC(=C1)C(=O)O Z1205656977 [0,0,0,0,1,1|1,0,1]=4 1716 B11R1.266 CCC1=CC(=CN=C1)C(=O)O Z1198306513 [0,0,0,0,1,1|1,0,0]=3 1717 B11R1.266 CCC1=CC(=NC=C1)C(=O)O Z1198155041 [0,0,0,0,1,1|1,0,0]=3 1718 B11R1.266 CCC1=NC(=CC=C1)C(=O)O Z1741980295 [0,0,0,0,1,1|2,0,0]=4 1719 B11R1.266 CCC1=NC=CC(=C1)C(=O)O Z5485733526 [0,0,0,0,1,1|1,0,0]=3 1720 B11R1.266 CNC1=CC(=CC=C1)C(=O)N Z3714846457 [0,0,0,0,1,1|2,0,0]=4 1721 B11R1.266 CNC1=CC(=CN=C1)C(=O)O Z1198165175 [0,0,0,0,1,1|1,0,0]=3 1722 B11R1.266 CNC1=NC=CC(=C1)C(=O)O Z285782460 [0,0,0,0,1,1|1,0,0]=3 1723 B11R1.266 COC1=CC(=CC=C1)B(O)O Z381513356 [0,0,0,0,1,1|1,0,1]=4 1724 B11R1.266 COC1=CC(=CC=C1)C(=N)N Z1263714060 [0,0,0,0,1,1|2,0,0]=4 1725 B11R1.266 COC1=CC(=CC=C1)C(=O)C Z54179675 [0,0,0,0,1,1|1,0,0]=3 1726 B11R1.266 COC1=CC(=CC=C1)C(=O)O Z57127526 [0,0,0,0,1,1|0,0,0]=2 1727 B11R1.266 COC1=CC(=CC=C1)C(=S)N Z56950570 [0,0,0,0,1,1|1,1,0]=4 1728 B11R1.266 COC1=CC(=CC=C1)C(C)O Z228586154 [0,0,0,0,1,1|1,0,1]=4 1729 B11R1.266 COC1=CC(=CC=C1)[C@@H](C)O Z360055364 [0,0,0,0,1,1|1,0,1]=4 1730 B11R1.266 COC1=CC(=CC=C1)[C@H](C)O Z360055368 [0,0,0,0,1,1|1,0,1]=4 1731 B11R1.266 COC1=CC(=CN=C1)C(=O)C Z3446459961 [0,0,0,0,1,1|1,0,0]=3 1732 B11R1.266 COC1=CC(=CN=C1)C(=O)O Z1160905076 [0,0,0,0,1,1|0,0,0]=2 1733 B11R1.266 COC1=CC(=NC=C1)C(=N)N Z2760930341 [0,0,0,0,1,1|2,0,0]=4 1734 B11R1.266 COC1=CC(=NC=C1)C(=O)N Z1201620706 [0,0,0,0,1,1|1,0,0]=3 1735 B11R1.266 COC1=CC(=NC=C1)C(=O)O Z381411824 [0,0,0,0,1,1|0,0,0]=2 1736 B11R1.266 COC1=CC(=NN=C1)C(=O)O Z3242712401 [0,0,0,0,1,1|1,0,0]=3 1737 B11R1.266 COC1=NC(=CC=C1)C(=O)O Z969095262 [0,0,0,0,1,1|1,0,0]=3 1738 B11R1.266 COC1=NC(=CC=N1)C(=O)O Z1255500631 [0,0,0,0,1,1|1,0,0]=3 1739 B11R1.266 COC1=NC(=CN=C1)C(=O)O Z1198152489 [0,0,0,0,1,1|1,0,0]=3 1740 B11R1.266 COC1=NC=CC(=C1)B(O)O Z1201624064 [0,0,0,0,1,1|1,0,1]=4 1741 B11R1.266 COC1=NC=CC(=C1)C(=N)N Z4920055179 [0,0,0,0,1,1|2,0,0]=4 1742 B11R1.266 COC1=NC=CC(=C1)C(=O)C Z1198277852 [0,0,0,0,1,1|1,0,0]=3 1743 B11R1.266 COC1=NC=CC(=C1)C(=O)O Z227823722 [0,0,0,0,1,1|0,0,0]=2 1744 B11R1.266 COC1=NC=CC(=C1)C(=S)N Z255149988 [0,0,0,0,1,1|1,1,0]=4 1745 B11R1.266 COC1=NC=NC(=C1)C(=O)O Z1198153986 [0,0,0,0,1,1|1,0,0]=3 1746 B11R1.266 CSC1=CC(=CC=C1)C(=O)O Z1201631828 [0,0,0,0,1,1|0,1,0]=3 1747 B11R1.266 CSC1=CC(=CN=C1)C(=O)O Z1198158905 [0,0,0,0,1,1|0,1,0]=3 1748 B11R1.266 CSC1=NC(=CC=C1)C(=O)O Z24821871 [0,0,0,0,1,1|1,1,0]=4 1749 B11R1.266 CSC1=NC(=CC=N1)C(=O)O Z1198233185 [0,0,0,0,1,1|1,1,0]=4 1750 B11R1.266 CSC1=NC(=CN=C1)C(=O)O Z1278639333 [0,0,0,0,1,1|1,1,0]=4 1751 B11R1.266 CSC1=NC(=NC=C1)C(=O)O Z1255401962 [0,0,0,0,1,1|1,1,0]=4 1752 B11R1.266 CSC1=NC=CC(=C1)C(=O)O Z732206876 [0,0,0,0,1,1|0,1,0]=3 1753 B11R1.266 CSC1=NC=NC(=C1)C(=O)O Z1255487883 [0,0,0,0,1,1|1,1,0]=4 1754 B11R1.266 N#CC1=CC(=NC=C1)C(=O)O Z1198184865 [0,0,0,0,1,1|2,0,0]=4 1755 B11R1.266 N#CC1=CC=CC(=C1)C(=O)O Z56921155 [0,0,0,0,1,1|2,0,0]=4 1756 B11R1.266 N#CC1=NC=CC(=C1)C(=O)O Z1198162090 [0,0,0,0,1,1|2,0,0]=4 1757 B11R1.266 NCC1=CC(=CC=C1)C(=O)O Z1262691668 [0,0,0,0,1,1|2,0,0]=4 1758 B11R1.266 NCC1=CC(=NC=C1)C(=O)O Z3814744753 [0,0,0,0,1,1|2,0,0]=4 1759 B11R1.266 NCC1=NC=CC(=C1)C(=O)O Z2685925257 [0,0,0,0,1,1|2,0,0]=4 1760 B11R1.266 NNC1=CC(=CC=C1)C(=O)O Z815264094 [0,0,0,0,1,1|2,0,0]=4 1761 B11R1.266 O=C(O)C1=CC(=CC=C1)CBr Z57980664 [0,0,0,0,1,1|2,0,0]=4 1762 B11R1.266 O=C(O)C1=CC(=CC=C1)CCl Z57834460 [0,0,0,0,1,1|2,0,0]=4 1763 B11R1.266 O=C(O)C1=CC(=CC=C1)CS Z228024598 [0,0,0,0,1,1|2,0,0]=4 1764 B11R1.266 O=C(O)C1=CC(=NC=C1)CO Z2856164825 [0,0,0,0,1,1|2,0,0]=4 1765 B11R1.266 O=C(O)C1=CC=CC(=C1)CO Z385458084 [0,0,0,0,1,1|2,0,0]=4 1766 B11R1.266 O=C(O)C1=CN=CC(=C1)CO Z4748876044 [0,0,0,0,1,1|2,0,0]=4 1767 B11R1.266 O=CC1=CC(=NC=C1)C(=O)O Z4202384577 [0,0,0,0,1,1|2,0,0]=4 1768 B11R1.266 O=CC1=CC=CC(=C1)C(=O)O Z1065768480 [0,0,0,0,1,1|2,0,0]=4 1769 B11R1.266 O=CC1=CN=CC(=C1)C(=O)O Z2902338030 [0,0,0,0,1,1|2,0,0]=4 1770 B13R1.3 CCC1=CC=C(C=C1)/C=C/C(=O)O Z2942851866 [0,0,0,0,0,2|1,0,0]=3 1771 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)N Z62734438 [0,0,0,0,0,2|2,0,0]=4 1772 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)O Z85929397 [0,0,0,0,0,2|1,0,0]=3 1773 B13R1.3 CCC1=CC=C(C=C1)OCC(=O)O Z56824185 [0,0,0,0,0,2|1,0,0]=3 1774 B13R1.3 COC1=CC=C(C=C1)/C=C/C(=O)O Z56931888 [0,0,0,0,0,2|0,0,0]=2 1775 B13R1.3 COC1=CC=C(C=C1)/C=C/[N+](=O)[O-] Z56755542 [0,0,0,0,0,2|1,0,1]=4 1776 B13R1.3 COC1=CC=C(C=C1)C#CC(=O)O Z57100824 [0,0,0,0,0,2|0,0,0]=2 1777 B13R1.3 COC1=CC=C(C=C1)CCC(=O)N Z33545386 [0,0,0,0,0,2|1,0,0]=3 1778 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O Z104486868 [0,0,0,0,0,2|0,0,0]=2 1779 B13R1.3 COC1=CC=C(C=C1)CNC(=O)N Z198194812 [0,0,0,0,0,2|1,0,0]=3 1780 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O Z57229609 [0,0,0,0,0,2|0,0,0]=2 1781 B13R1.3 COC1=CC=C(C=C1)OCC(=S)N Z295395794 [0,0,0,0,0,2|1,1,0]=4 1782 B13R1.3 COC1=CC=C(C=C1)SCC(=O)N Z51312064 [0,0,0,0,0,2|1,0,0]=3 1783 B13R1.3 COC1=CC=C(C=C1)SCC(=O)O Z56770877 [0,0,0,0,0,2|0,0,0]=2 1784 B13R1.3 COC1=CN=C(C=C1)/C=C/C(=O)O Z1815157394 [0,0,0,0,0,2|1,0,0]=3 1785 B13R1.3 COC1=NC=C(C=C1)CCC(=O)O Z1255504957 [0,0,0,0,0,2|1,0,0]=3 1786 B13R1.3 COC1=NC=C(C=N1)/C=C/C(=O)O Z2887852697 [0,0,0,0,0,2|2,0,0]=4 1787 B13R1.3 CSC1=CC=C(C=C1)/C=C/C(=O)O Z2895087258 [0,0,0,0,0,2|0,1,0]=3 1788 B13R1.3 CSC1=CC=C(C=C1)CCC(=O)O Z363916360 [0,0,0,0,0,2|0,1,0]=3 1789 B13R1.3 N#CC1=CC=C(C=C1)/C=C/C(=O)O Z2942851604 [0,0,0,0,0,2|2,0,0]=4 1790 B13R1.3 N#CC1=CC=C(C=C1)CCC(=O)O Z178961286 [0,0,0,0,0,2|2,0,0]=4 1791 B13R1.3 N#CC1=CC=C(C=C1)NCC(=O)O Z331870794 [0,0,0,0,0,2|2,0,0]=4 1792 B13R1.3 N#CC1=CC=C(C=C1)OCC(=O)O Z56823031 [0,0,0,0,0,2|2,0,0]=4 1793 B13R1.3 N#CC1=CC=C(C=C1)SCC(=O)O Z331871190 [0,0,0,0,0,2|2,0,0]=4 1794 B13R1.3 NCC1=CC=C(C=C1)CCC(=O)O Z3301412701 [0,0,0,0,0,2|2,0,0]=4 1795 B13R1.3 O=C(O)CCC1=CC=C(C=C1)CO Z1262512949 [0,0,0,0,0,2|2,0,0]=4 1796 B13R1.3 O=C(O)COC1=CC=C(C=C1)CO Z359627548 [0,0,0,0,0,2|2,0,0]=4 1797 B13R1.3 O=CC1=CC=C(C=C1)/C=C/C(=O)O Z1255434745 [0,0,0,0,0,2|2,0,0]=4 1798 B13R1.3 O=CC1=CC=C(C=C1)CCC(=O)O Z1954800611 [0,0,0,0,0,2|2,0,0]=4 1799 B13R1.3 O=CC1=CC=C(C=C1)OCC(=O)O Z57305439 [0,0,0,0,0,2|2,0,0]=4