0 B13R1.547 COC(=O)C1=C(B(O)O)C=CC=C1 M4040 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.547 COC(=O)C1=C(C(=O)O)C=CC=C1 M64943 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.547 COC(=O)C1=C(C(Br)Br)C=CC=N1 M48469 [0,0,0,0,0,0|4,0,0]=4 3 B13R1.547 COC(=O)C1=C([N+](=O)[O-])C=NC=C1 M45256 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.547 O=C(O)C1=C(C(=O)O[O-])C=CC=C1 M67405 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.77 C#CC1=C(C(=O)OC)C=CC=C1 M53793 [1,0,0,0,0,0|1,0,1]=3 6 B12R1.77 CNC1=C(C(=O)OC)C=CC=C1 M65720 [1,0,0,0,0,0|0,0,0]=1 7 B12R1.77 COC(=O)C1=C(C#N)C=CC=C1 M51164 [1,0,0,0,0,0|2,0,0]=3 8 B12R1.77 COC(=O)C1=C(C#N)C=NC=C1 M47877 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.77 COC(=O)C1=C(C=O)C=CC=C1 M38609 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.77 COC(=O)C1=C(CBr)C=CC=C1 M36627 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.77 COC(=O)C1=C(CBr)C=CC=N1 M48916 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.77 COC(=O)C1=C(CCl)C=CC=C1 M51917 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.77 COC(=O)C1=C(CN)N=CC=C1 M36811 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.77 COC(=O)C1=C(CO)N=CC=C1 M37792 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.77 COC(=O)C1=C(OC)C=CN=C1 M49313 [1,0,0,0,0,0|2,0,0]=3 16 B12R1.77 COC(=O)C1=C(OC)N=CC=C1 M12721 [1,0,0,0,0,0|2,0,0]=3 17 B12R1.77 COC(=O)C1=CC=CN=C1CBr M37745 [1,0,0,0,0,0|3,0,0]=4 18 B12R1.77 COC(=O)C1=NC=CC=C1C=O M48497 [1,0,0,0,0,0|3,0,0]=4 19 B12R1.77 COC(=O)C1=NC=CC=C1OC M49338 [1,0,0,0,0,0|2,0,0]=3 20 B12R1.77 COC1=C(C(=O)CBr)C=CC=C1 B51907 [1,0,0,0,0,0|3,0,0]=4 21 B12R1.77 COC1=C(C(=O)CN)C=CC=C1 A52119 [1,0,0,0,0,0|3,0,0]=4 22 B12R1.261 CC(=O)C1=C(C(=O)O)C=CC=C1 A51621 [1,0,0,0,0,0|2,0,0]=3 23 B12R1.261 CC(=O)C1=C([N+](=O)[O-])C=CC=C1 N39479 [1,0,0,0,0,0|2,0,1]=4 24 B12R1.261 CC(C)C1=C(B(O)O)C=CC=C1 P3920 [1,0,0,0,0,0|2,0,1]=4 25 B12R1.261 CC(C)C1=C([N+](=O)[O-])C=CC=C1 P62146 [1,0,0,0,0,0|2,0,1]=4 26 B12R1.261 CN(C)C1=C(C(=O)O)C=CC=C1 D50038 [1,0,0,0,0,0|0,0,0]=1 27 B12R1.261 CN(C)C1=C(C(=O)O)C=NC=C1 D63178 [1,0,0,0,0,0|1,0,0]=2 28 B12R1.261 CN(C)C1=C([N+](=O)[O-])C=CC=C1 D46673 [1,0,0,0,0,0|1,0,1]=3 29 B12R1.261 C[SiH](C)C1=C([SiH](C)C)C=CC=C1 B53281 [1,0,0,0,0,0|2,1,0]=4 30 B12R1.261 O=C(O)C1=C(B(O)O)C=CC=C1 C2140 [1,0,0,0,0,0|3,0,0]=4 31 B12R1.261 O=C(O)C1=C(C(F)F)C=CC=C1 D67318 [1,0,0,0,0,0|3,0,0]=4 32 B12R1.261 O=C(O)C1=C([N+](=O)[O-])C=CC=C1 N69314 [1,0,0,0,0,0|2,0,1]=4 33 B14R1.623 CCOC(=O)C1=C(B(O)O)C=CC=C1 E3000 [0,1,0,0,0,0|3,0,0]=4 34 B14R1.707 COC(=O)C1=C(B(O)O)C=CC(Cl)=C1 C62089 [0,1,0,0,0,0|3,0,0]=4 35 B14R1.707 COC(=O)C1=C([N+](=O)[O-])C=CC(C)=C1 M51838 [0,1,0,0,0,0|2,0,1]=4 36 B14R1.707 COC(=O)C1=C([N+](=O)[O-])C=CC(F)=C1 M48050 [0,1,0,0,0,0|2,0,1]=4 37 B14R1.707 COC(=O)C1=C([N+](=O)[O-])C=CC(N)=C1 M48842 [0,1,0,0,0,0|2,0,1]=4 38 B14R1.745 COC(=O)C1=C(S(=O)(=O)Cl)C=CC=C1 M48702 [0,1,0,0,0,0|3,0,0]=4 39 B14R1.746 COC(=O)C1=C(C(=O)OC)C=NC=C1 D62801 [0,1,0,0,0,0|3,0,0]=4 40 B14R1.1126 COC(=O)C1=C(B(O)O)C=C(F)C=C1 F62218 [0,1,0,0,0,0|3,0,0]=4 41 B14R1.1126 COC(=O)C1=C([N+](=O)[O-])C=C(Br)C=C1 M10946 [0,1,0,0,0,0|2,0,1]=4 42 B14R1.1126 COC(=O)C1=C([N+](=O)[O-])C=C(I)C=C1 M39039 [0,1,0,0,0,0|2,0,1]=4 43 B14R1.1153 COC(=O)C1=C([N+](=O)[O-])C(C)=CC=C1 M67304 [0,1,0,0,0,0|2,0,1]=4 44 B14R1.1153 COC(=O)C1=CC=CC(Br)=C1C(=O)O B51303 [0,1,0,0,0,0|3,0,0]=4 45 B14R1.1153 COC(=O)C1=CC=CC(F)=C1[N+](=O)[O-] M48047 [0,1,0,0,0,0|2,0,1]=4 46 B14R1.1153 COC(=O)C1=CC=CC(O)=C1[N+](=O)[O-] M48536 [0,1,0,0,0,0|2,0,1]=4 47 B14R1.1164 COC(=O)C1=C(Br)C=CC=C1[N+](=O)[O-] M48034 [0,1,0,0,0,0|2,0,1]=4 48 B14R1.1164 COC(=O)C1=C(F)C=CC=C1[N+](=O)[O-] M38208 [0,1,0,0,0,0|2,0,1]=4 49 B14R1.1164 COC(=O)C1=C([N+](=O)[O-])C=CC=C1C M51836 [0,1,0,0,0,0|2,0,1]=4 50 B14R1.1164 COC(=O)C1=C([N+](=O)[O-])C=CC=C1O M48535 [0,1,0,0,0,0|2,0,1]=4 51 B14R2.29285 CC1(C)CCC(=O)C2=C1C=CC=C2 D55916 [0,0,0,1,0,0|2,0,0]=3 52 B14R2.29285 C[Si]1(C)CNC(=O)C2=C1C=CC=C2 D61914 [0,0,0,1,0,0|2,0,0]=3 53 B14R1.744 COC(=O)C1=C(CC(=O)O)C=CC=C1 M52485 [0,0,0,0,0,1|3,0,0]=4 54 B14R1.3302 COC(=O)CC1=C(C(=O)O)C=CC=C1 M52479 [0,0,0,0,0,1|3,0,0]=4 55 B14R1.3302 COC(=O)CC1=C([N+](=O)[O-])C=CC=C1 M51833 [0,0,0,0,0,1|2,0,1]=4 56 B11R1.53 C#CC1=C(C(=O)O)C=CC=C1 E36717 [2,0,0,0,0,0|1,0,1]=4 57 B11R1.53 CC(=O)C1=C(C#N)C=CC=C1 A26401 [2,0,0,0,0,0|2,0,0]=4 58 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 E49881 [2,0,0,0,0,0|1,0,0]=3 59 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 E49269 [2,0,0,0,0,0|2,0,0]=4 60 B11R1.53 CCC1=C(C(=O)O)C=CN=C1 E49275 [2,0,0,0,0,0|2,0,0]=4 61 B11R1.53 CCC1=C(C(=O)O)C=NC=C1 E49270 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.53 CNC1=C(C(C)=O)C=CC=C1 M38276 [2,0,0,0,0,0|0,0,0]=2 63 B11R1.53 CNC1=C([N+](=O)[O-])C=CC=C1 M60711 [2,0,0,0,0,0|1,0,1]=4 64 B11R1.53 COC1=C(C(=O)O)C=CC=N1 M12720 [2,0,0,0,0,0|2,0,0]=4 65 B11R1.53 COC1=C(C(=O)O)C=NC=C1 M45835 [2,0,0,0,0,0|2,0,0]=4 66 B11R1.53 COC1=C(C(C)=O)C=CC=N1 M49287 [2,0,0,0,0,0|2,0,0]=4 67 B11R1.53 COC1=C(C(C)=O)C=CN=C1 M49288 [2,0,0,0,0,0|2,0,0]=4 68 B11R1.53 COC1=C(C(C)=O)C=NC=C1 M29754 [2,0,0,0,0,0|2,0,0]=4 69 B11R1.53 COC1=C(C(N)=O)C=CC=C1 M60565 [2,0,0,0,0,0|2,0,0]=4 70 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 M50344 [2,0,0,0,0,0|2,0,0]=4 71 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 M60510 [2,0,0,0,0,0|2,0,0]=4 72 B11R1.53 COC1=CC=CN=C1C(=O)O M45833 [2,0,0,0,0,0|2,0,0]=4 73 B11R1.53 COC1=CC=CN=C1C(C)=O M27805 [2,0,0,0,0,0|2,0,0]=4 74 B11R1.53 CSC1=C(C(=O)O)C=CC=C1 M69034 [2,0,0,0,0,0|1,0,0]=3 75 B11R1.53 CSC1=NC=CC=C1C(=O)O M62219 [2,0,0,0,0,0|2,0,0]=4 76 B11R1.53 NNC1=C(C(=O)O)C=CC=C1 H46555 [2,0,0,0,0,0|1,0,0]=3 77 B11R1.53 O=C(O)C1=C(CCl)C=CC=C1 C48588 [2,0,0,0,0,0|2,0,0]=4 78 B11R1.53 O=C(O)C1=C(CO)C=CC=C1 H49093 [2,0,0,0,0,0|2,0,0]=4 79 B11R1.222 CCC(=O)C1=C(C)C=CC=C1 M52778 [2,0,0,0,0,0|1,0,0]=3 80 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 C52038 [2,0,0,0,0,0|2,0,0]=4 81 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 H39530 [2,0,0,0,0,0|2,0,0]=4 82 B11R1.222 CNC(=O)C1=C(Br)C=CC=C1 B49022 [2,0,0,0,0,0|2,0,0]=4 83 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 A67666 [2,0,0,0,0,0|1,0,0]=3 84 B11R1.222 CNC(=O)C1=C(N)C=CN=C1 A46341 [2,0,0,0,0,0|2,0,0]=4 85 B11R1.222 CNC(=O)C1=C(N)N=CC=C1 A46340 [2,0,0,0,0,0|2,0,0]=4 86 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 M64518 [2,0,0,0,0,0|2,0,0]=4 87 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 M39488 [2,0,0,0,0,0|1,0,0]=3 88 B11R1.222 COC(=O)C1=C(Br)C=CC=N1 M14100 [2,0,0,0,0,0|2,0,0]=4 89 B11R1.222 COC(=O)C1=C(Br)C=NC=C1 M12636 [2,0,0,0,0,0|2,0,0]=4 90 B11R1.222 COC(=O)C1=C(C)C=CC=C1 M39531 [2,0,0,0,0,0|0,0,0]=2 91 B11R1.222 COC(=O)C1=C(C)C=CN=C1 M38020 [2,0,0,0,0,0|1,0,0]=3 92 B11R1.222 COC(=O)C1=C(C)C=NC=C1 M11262 [2,0,0,0,0,0|1,0,0]=3 93 B11R1.222 COC(=O)C1=C(C)C=NN=C1 M11606 [2,0,0,0,0,0|2,0,0]=4 94 B11R1.222 COC(=O)C1=C(C)N=CC=C1 M11023 [2,0,0,0,0,0|1,0,0]=3 95 B11R1.222 COC(=O)C1=C(Cl)C=CC=N1 M45351 [2,0,0,0,0,0|2,0,0]=4 96 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 M45369 [2,0,0,0,0,0|2,0,0]=4 97 B11R1.222 COC(=O)C1=C(Cl)C=NC=C1 M45356 [2,0,0,0,0,0|2,0,0]=4 98 B11R1.222 COC(=O)C1=C(F)C=CC=C1 M69073 [2,0,0,0,0,0|1,0,0]=3 99 B11R1.222 COC(=O)C1=C(F)C=CC=N1 M25907 [2,0,0,0,0,0|2,0,0]=4 100 B11R1.222 COC(=O)C1=C(F)C=NC=C1 M1911 [2,0,0,0,0,0|2,0,0]=4 101 B11R1.222 COC(=O)C1=C(I)C=CC=C1 M67835 [2,0,0,0,0,0|1,0,0]=3 102 B11R1.222 COC(=O)C1=C(I)C=CC=N1 M45391 [2,0,0,0,0,0|2,0,0]=4 103 B11R1.222 COC(=O)C1=C(I)C=NC=C1 M10415 [2,0,0,0,0,0|2,0,0]=4 104 B11R1.222 COC(=O)C1=C(N)C=CN=C1 A1097 [2,0,0,0,0,0|1,0,0]=3 105 B11R1.222 COC(=O)C1=C(N)C=NC=C1 M0549 [2,0,0,0,0,0|1,0,0]=3 106 B11R1.222 COC(=O)C1=C(N)N=CC=C1 M27310 [2,0,0,0,0,0|1,0,0]=3 107 B11R1.222 COC(=O)C1=C(O)C=NC=C1 M15996 [2,0,0,0,0,0|2,0,0]=4 108 B11R1.222 COC(=O)C1=C(O)N=CC=C1 M38592 [2,0,0,0,0,0|2,0,0]=4 109 B11R1.222 COC(=O)C1=C(S)C=CC=C1 M69035 [2,0,0,0,0,0|1,0,0]=3 110 B11R1.222 COC(=O)C1=CC=CN=C1Br M24089 [2,0,0,0,0,0|2,0,0]=4 111 B11R1.222 COC(=O)C1=CC=CN=C1Cl M0433 [2,0,0,0,0,0|2,0,0]=4 112 B11R1.222 COC(=O)C1=CC=CN=C1F M45374 [2,0,0,0,0,0|2,0,0]=4 113 B11R1.222 COC(=O)C1=CC=CNC1=O M45848 [2,0,0,0,0,0|2,0,0]=4 114 B11R1.222 COC(=O)C1=CNC=CC1=O M36878 [2,0,0,0,0,0|2,0,0]=4 115 B11R1.222 COC(=O)C1=NC=CC=C1C M24449 [2,0,0,0,0,0|1,0,0]=3 116 B11R1.222 COC(=O)C1=NC=CC=C1N M23281 [2,0,0,0,0,0|1,0,0]=3 117 B11R1.222 COC(=O)C1=NC=CN=C1C M23587 [2,0,0,0,0,0|2,0,0]=4 118 B11R1.222 COC(=O)C1=NC=CN=C1N M20687 [2,0,0,0,0,0|2,0,0]=4 119 B13R1.107 CCC1=C(C(=O)OC)C=CC=C1O M52827 [1,1,0,0,0,0|1,0,0]=3 120 B13R1.107 COC(=O)C1=C(C#N)C(C)=CC=C1 M53934 [1,1,0,0,0,0|2,0,0]=4 121 B13R1.107 COC(=O)C1=CC=CC(Br)=C1CBr M51563 [1,1,0,0,0,0|2,0,0]=4 122 B13R1.107 COC(=O)C1=CC=CC(Br)=C1OC M51971 [1,1,0,0,0,0|1,0,0]=3 123 B13R1.107 COC(=O)C1=CC=CC(Cl)=C1CBr M51567 [1,1,0,0,0,0|2,0,0]=4 124 B13R1.382 COC(=O)C1=C(CC#N)C=CC=C1 M68999 [1,1,0,0,0,0|1,0,1]=4 125 B13R1.382 COC(=O)C1=C(CCBr)C=CC=C1 M52619 [1,1,0,0,0,0|1,0,0]=3 126 B13R1.382 COC(=O)C1=C(CCN)C=CC=C1 M54159 [1,1,0,0,0,0|1,0,0]=3 127 B13R1.464 CCOC(=O)C1=C(C#N)C=CC=C1 E53918 [1,1,0,0,0,0|2,0,0]=4 128 B13R1.464 CCOC(=O)C1=C(C=O)C=CC=C1 E52451 [1,1,0,0,0,0|2,0,0]=4 129 B13R1.464 CCOC(=O)C1=C(NC)C=CC=C1 E52943 [1,1,0,0,0,0|0,0,0]=2 130 B13R1.2065 CCC1=C(C(=O)OC)C=CC(N)=C1 M52948 [1,1,0,0,0,0|1,0,0]=3 131 B13R1.2065 COC(=O)C1=C(C#N)C=C(Br)C=C1 M50862 [1,1,0,0,0,0|2,0,0]=4 132 B13R1.2065 COC(=O)C1=C(C#N)C=C(C)C=C1 M62155 [1,1,0,0,0,0|2,0,0]=4 133 B13R1.2065 COC(=O)C1=C(C#N)C=C(Cl)C=C1 M50873 [1,1,0,0,0,0|2,0,0]=4 134 B13R1.2065 COC(=O)C1=C(C#N)C=C(F)C=C1 M50881 [1,1,0,0,0,0|2,0,0]=4 135 B13R1.2065 COC(=O)C1=C(C#N)C=C(N)C=C1 M51381 [1,1,0,0,0,0|2,0,0]=4 136 B13R1.2065 COC(=O)C1=C(CBr)C=C(Br)C=C1 M51562 [1,1,0,0,0,0|2,0,0]=4 137 B13R1.2065 COC(=O)C1=C(CBr)C=C(C)C=C1 B24601 [1,1,0,0,0,0|2,0,0]=4 138 B13R1.2065 COC(=O)C1=C(CBr)C=C(Cl)C=C1 M51568 [1,1,0,0,0,0|2,0,0]=4 139 B13R1.2065 COC(=O)C1=C(OC)C=C(Br)C=C1 M51972 [1,1,0,0,0,0|1,0,0]=3 140 B13R1.2065 COC(=O)C1=C(OC)C=C(C)C=C1 M52830 [1,1,0,0,0,0|1,0,0]=3 141 B13R1.2065 COC(=O)C1=C(OC)C=C(F)C=C1 M51994 [1,1,0,0,0,0|1,0,0]=3 142 B13R1.2065 COC(=O)C1=C(OC)C=C(N)C=C1 M66638 [1,1,0,0,0,0|1,0,0]=3 143 B13R1.2065 COC(=O)C1=C(OC)C=C(O)C=C1 M36782 [1,1,0,0,0,0|1,0,0]=3 144 B13R1.2065 COC(=O)C1=C(OC)N=C(Br)C=C1 M48989 [1,1,0,0,0,0|2,0,0]=4 145 B13R1.2065 COC(=O)C1=C(OC)N=C(Cl)C=C1 M32275 [1,1,0,0,0,0|2,0,0]=4 146 B13R1.2065 COC(=O)C1=C(OC)N=C(N)C=C1 M46696 [1,1,0,0,0,0|2,0,0]=4 147 B13R1.2209 CCC1=C(C(=O)OC)C=C(Br)C=C1 M52618 [1,1,0,0,0,0|1,0,0]=3 148 B13R1.2209 CNC1=C(C(=O)OC)C=C(Cl)C=C1 M38328 [1,1,0,0,0,0|0,0,0]=2 149 B13R1.2209 CNC1=C(C(=O)OC)C=C(F)C=C1 M49833 [1,1,0,0,0,0|0,0,0]=2 150 B13R1.2209 CNC1=C(C(=O)OC)N=C(Br)C=N1 M46064 [1,1,0,0,0,0|2,0,0]=4 151 B13R1.2209 COC(=O)C1=C(C#N)C=CC(Br)=C1 M50863 [1,1,0,0,0,0|2,0,0]=4 152 B13R1.2209 COC(=O)C1=C(C#N)C=CC(Cl)=C1 M50874 [1,1,0,0,0,0|2,0,0]=4 153 B13R1.2209 COC(=O)C1=C(C#N)C=CC(F)=C1 M50882 [1,1,0,0,0,0|2,0,0]=4 154 B13R1.2209 COC(=O)C1=C(C=O)C=CC(Br)=C1 M51276 [1,1,0,0,0,0|2,0,0]=4 155 B13R1.2209 COC(=O)C1=C(C=O)C=CC(F)=C1 M63786 [1,1,0,0,0,0|2,0,0]=4 156 B13R1.2209 COC(=O)C1=C(CBr)C=CC(Br)=C1 M51565 [1,1,0,0,0,0|2,0,0]=4 157 B13R1.2209 COC(=O)C1=C(CBr)C=CC(Cl)=C1 M24806 [1,1,0,0,0,0|2,0,0]=4 158 B13R1.2209 COC(=O)C1=C(CN)C=CC(Br)=C1 M32177 [1,1,0,0,0,0|2,0,0]=4 159 B13R1.2209 COC(=O)C1=CC(Br)=CN=C1OC M12771 [1,1,0,0,0,0|2,0,0]=4 160 B13R1.2357 COC(=O)C1=C(CBr)C=CC=C1Cl M51569 [1,1,0,0,0,0|2,0,0]=4 161 B13R1.2357 COC(=O)C1=C(Cl)C=CN=C1OC M49001 [1,1,0,0,0,0|2,0,0]=4 162 B13R1.2357 COC(=O)C1=C(OC)C=CC=C1C M52831 [1,1,0,0,0,0|1,0,0]=3 163 B13R1.2357 COC(=O)C1=C(OC)C=CC=C1N M52124 [1,1,0,0,0,0|1,0,0]=3 164 B13R1.2357 COC(=O)C1=C(OC)C=CC=C1O M61524 [1,1,0,0,0,0|1,0,0]=3 165 B13R1.2357 COC(=O)C1=C(OC)C=CN=C1Cl M61522 [1,1,0,0,0,0|2,0,0]=4 166 B13R1.349 CS(=O)(=O)C1=C(C(=O)O)C=CC=C1 M67504 [1,1,0,0,0,0|2,0,0]=4 167 B15R1.38521 COC(=O)C1=C(C(=O)OC)C=C(Br)C=C1 D54032 [0,2,0,0,0,0|2,0,0]=4 168 B15R1.38521 COC(=O)C1=C(C(=O)OC)C=C(F)C=C1 D54038 [0,2,0,0,0,0|2,0,0]=4 169 B15R1.38521 COC(=O)C1=C(C(=O)OC)C=C(O)C=C1 D52491 [0,2,0,0,0,0|2,0,0]=4 170 B15R1.38509 COC(=O)C1=CC=CC(Br)=C1C(=O)OC D11284 [0,2,0,0,0,0|2,0,0]=4 171 B15R1.38509 COC(=O)C1=CC=CC(N)=C1C(=O)OC D11283 [0,2,0,0,0,0|2,0,0]=4 172 B13R2.32 C[C@H]1CCC2=C(C=CC=C2)C1=O M54547 [1,0,0,1,0,0|2,0,0]=4 173 B13R2.371 C[C@H]1CCC(=O)C2=C1C=CC=C2 M54548 [1,0,0,1,0,0|2,0,0]=4 174 B13R2.371 O=C1COC(=O)C2=C1C=CC=C2 C50991 [1,0,0,1,0,0|2,0,0]=4 175 B13R2.582 COC1=C2C(=O)CCC2=CC=C1 M52436 [1,0,0,1,0,0|2,0,0]=4 176 B13R2.3085 CN1C(=O)C(=O)C2=C1C=CC=C2 M61712 [1,0,0,1,0,0|2,0,0]=4 177 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 T16671 [1,0,0,1,0,0|1,0,0]=3 178 B13R2.5252 O=C1NCCCC2=C1C=CC=C2 T52555 [1,0,0,1,0,0|2,0,0]=4 179 B13R2.5252 O=C1NCCNC2=C1C=CC=C2 D69503 [1,0,0,1,0,0|1,0,0]=3 180 B13R2.5514 O=C(O)C1=NC=CC=C1C2CC2 C51778 [1,0,0,1,0,0|2,0,0]=4 181 B13R2.12159 CC1(C)CC(=O)C2=C1C=CC=C2 D54541 [1,0,0,1,0,0|1,0,0]=3 182 B13R2.12159 CC1(C)NC(=O)C2=C1C=CC=C2 D10521 [1,0,0,1,0,0|2,0,0]=4 183 B15R2.19309 COC(=O)C1=C2C=C(C)NC2=CC=C1 M23148 [0,0,0,1,0,1|2,0,0]=4 184 B15R2.19309 COC(=O)C1=CC=CC2=C1NC(=O)C2 M12584 [0,0,0,1,0,1|2,0,0]=4 185 B15R2.19309 COC(=O)C1=CC=CC2=CN(C)N=C21 M3567 [0,0,0,1,0,1|0,0,1]=3 186 B15R2.19309 COC(=O)C1=CC=CC2=NN(C)C=C12 M3564 [0,0,0,1,0,1|1,0,0]=3 187 B15R2.23388 COC(=O)C1=CN(C)C2=C1C=CC=C2 M16466 [0,0,0,1,0,1|0,0,1]=3 188 B15R2.61763 CC1(C)C(=O)OC(=O)C2=C1C=CC=C2 D36749 [0,1,0,1,0,0|1,0,1]=4 189 B15R2.7494 CC1(C)CCC(=O)C2=C1C=CC(Br)=C2 B62964 [0,1,0,1,0,0|2,0,0]=4 190 B15R2.19310 COC(=O)C1=C2C(=CC=C1)C=NN2C M3563 [0,1,0,1,0,0|0,0,1]=3 191 B15R2.14787 CC1(C)CCC(=O)C2=C1C=C(Br)C=C2 B55850 [0,1,0,1,0,0|2,0,0]=4 192 B11R1.59 COC(=O)C1=C(OC)C=CS1 M61504 [1,0,0,0,1,0|2,0,0]=4 193 B13R1.91 COC(=O)CC1=C(C=O)C=CC=C1 M52458 [1,0,0,0,0,1|2,0,0]=4 194 B13R1.91 COC(=O)CC1=C(OC)C=CC=C1 M52820 [1,0,0,0,0,1|1,0,0]=3 195 B13R1.543 CN(C)C1=CC=CC(C(=O)NN)=C1 D64572 [0,0,0,0,1,1|2,0,0]=4 196 B13R1.543 COC(=O)C1=CC(C(C)=O)=CC=C1 M52453 [0,0,0,0,1,1|2,0,0]=4 197 B13R1.543 COC(=O)C1=CC([C@@H](C)N)=CC=C1 M54164 [0,0,0,0,1,1|2,0,0]=4 198 B13R1.543 COC(=O)C1=CC([C@H](C)N)=CC=C1 M54165 [0,0,0,0,1,1|2,0,0]=4