0 B12R1.75 C=CC1=C(OC(C)C)C=CC=C1 P54756 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.75 CC(=O)OC1=C(CBr)C=CC=C1 B51880 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.75 COC1=C(CC(=O)O)C=CC=C1 M64892 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 M69051 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.75 COC1=C(CC(N)=O)C=CC=C1 M66295 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.75 N#CC1=C(CC(=O)O)C=CC=C1 C37989 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.75 NCC1=C(CC(=O)O)C=CC=C1 A69642 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.75 O=C(O)CC1=C(CCl)C=CC=C1 C51930 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.75 O=CC1=C(CC(=O)O)C=CC=C1 F66585 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.41 CNCC1=C(OC)C=CC=C1 M50356 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.41 COC1=C(CC#N)C=CC=C1 M62292 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.41 COC1=C(CCBr)C=CC=C1 B50155 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.41 COC1=C(CCN)C=CC=C1 M66296 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.41 COC1=C(CCO)C=CC=C1 M50284 [1,0,0,0,0,0|1,0,2]=4 14 B11R1.41 COC1=C(CNN)C=CC=C1 M12218 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 B52020 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 C52039 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 F52044 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.86 CC(=O)NC1=C(I)C=NC=C1 K63586 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 A46655 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.86 CC(=O)NC1=NC=CC=C1O H46007 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 B50144 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.86 CC(C)OC1=C(N)C=CC=C1 P67507 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 T69090 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.86 NC(=O)CC1=C(Cl)C=CC=C1 C49033 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 B39490 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 F39494 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 K48630 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.86 O=C(O)CC1=NC=CC=C1O H10790 [1,0,0,0,0,0|3,0,0]=4 29 B13R1.51 COC1=C(CC(=O)O)C=CC(Br)=C1 B51976 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.89 COC1=C([C@@H](C)C(=O)O)C=CC=C1 M38985 [0,1,0,0,0,0|2,0,0]=3 31 B13R1.89 COC1=C([C@@H](N)C(=O)O)C=CC=C1 A50095 [0,1,0,0,0,0|2,0,0]=3 32 B13R1.91 COC(=O)CC1=C(C=O)C=CC=C1 M52458 [0,1,0,0,0,0|3,0,0]=4 33 B13R1.91 COC(=O)CC1=C(OC)C=CC=C1 M52820 [0,1,0,0,0,0|1,0,0]=2 34 B13R1.91 COC1=C(NC(=O)CCl)C=CC=C1 C49814 [0,1,0,0,0,0|1,0,0]=2 35 B13R1.115 CC(=O)NC1=CC=CC(F)=C1C#N C63426 [0,1,0,0,0,0|3,0,0]=4 36 B13R1.2135 COC1=CC=CC(F)=C1CC(=O)O F51998 [0,1,0,0,0,0|2,0,0]=3 37 B13R1.3089 COC1=C(CC(=O)O)C=C(F)C=C1 F38602 [0,1,0,0,0,0|2,0,0]=3 38 B13R2.72 CC(=O)C1=CNC2=C1C=CC=C2 I24984 [0,0,0,1,0,0|2,0,1]=4 39 B13R2.72 CC(=O)C1=NNC2=C1C=CC=C2 K9334 [0,0,0,1,0,0|3,0,0]=4 40 B13R2.72 CC(=O)N1CCC2=C1C=CC=C2 K52542 [0,0,0,1,0,0|2,0,0]=3 41 B13R2.72 CC(=O)N1N=CC2=C1C=CC=C2 K51355 [0,0,0,1,0,0|3,0,0]=4 42 B13R2.72 O=C(O)C1=COC2=C1C=CC=C2 B50992 [0,0,0,1,0,0|2,0,1]=4 43 B13R2.72 O=C(O)[C@@H]1CCC2=C1C=CC=C2 K52427 [0,0,0,1,0,0|3,0,0]=4 44 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 D52553 [0,0,0,1,0,0|2,0,0]=3 45 B13R2.163 O=C1CCCC2=CC=CN=C2N1 D49730 [0,0,0,1,0,0|3,0,0]=4 46 B13R2.328 CC1=CC(C)=NC2=CC=CC=C12 D54369 [0,0,0,1,0,0|3,0,0]=4 47 B13R2.328 CC1=NC2=CC=CC=C2C(C)=N1 D52275 [0,0,0,1,0,0|3,0,0]=4 48 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)O1 C63746 [0,0,0,1,0,0|2,0,1]=4 49 B13R2.328 O=C1CC(=O)C2=C(C=CC=C2)N1 Q51171 [0,0,0,1,0,0|3,0,0]=4 50 B13R2.581 COC1=C2C=C(C)NC2=NC=C1 M22953 [0,0,0,1,0,0|3,0,0]=4 51 B13R2.581 COC1=CC=CC2=C1N=C(N)S2 A24194 [0,0,0,1,0,0|2,1,0]=4 52 B13R2.581 COC1=CC=CC2=C1NC(=O)S2 M60833 [0,0,0,1,0,0|2,0,0]=3 53 B11R1.53 C#CC1=C(C(=O)O)C=CC=C1 E36717 [0,0,0,0,1,0|2,0,1]=4 54 B11R1.53 CC(=O)C1=C(C#N)C=CC=C1 A26401 [0,0,0,0,1,0|2,0,0]=3 55 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 E49881 [0,0,0,0,1,0|2,0,0]=3 56 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 E49269 [0,0,0,0,1,0|3,0,0]=4 57 B11R1.53 CCC1=C(C(=O)O)C=CN=C1 E49275 [0,0,0,0,1,0|3,0,0]=4 58 B11R1.53 CCC1=C(C(=O)O)C=NC=C1 E49270 [0,0,0,0,1,0|3,0,0]=4 59 B11R1.53 CCC1=NC=CN=C1C(C)=O E46656 [0,0,0,0,1,0|3,0,0]=4 60 B11R1.53 CNC1=C(C(C)=O)C=CC=C1 M38276 [0,0,0,0,1,0|1,0,0]=2 61 B11R1.53 CNC1=C([N+](=O)[O-])C=CC=C1 M60711 [0,0,0,0,1,0|3,0,0]=4 62 B11R1.53 COC1=C(B(O)O)C=CC=C1 M4260 [0,0,0,0,1,0|2,0,1]=4 63 B11R1.53 COC1=C(C(=O)O)C=CC=N1 M12720 [0,0,0,0,1,0|2,0,0]=3 64 B11R1.53 COC1=C(C(=O)O)C=NC=C1 M45835 [0,0,0,0,1,0|2,0,0]=3 65 B11R1.53 COC1=C(C(=O)O)C=NC=N1 M25068 [0,0,0,0,1,0|3,0,0]=4 66 B11R1.53 COC1=C(C(C)=O)C=CC=N1 M49287 [0,0,0,0,1,0|1,0,0]=2 67 B11R1.53 COC1=C(C(C)=O)C=CN=C1 M49288 [0,0,0,0,1,0|1,0,0]=2 68 B11R1.53 COC1=C(C(C)=O)C=NC=C1 M29754 [0,0,0,0,1,0|1,0,0]=2 69 B11R1.53 COC1=C(C(N)=O)C=CC=C1 M60565 [0,0,0,0,1,0|1,0,0]=2 70 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 M50344 [0,0,0,0,1,0|1,0,1]=3 71 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 M60510 [0,0,0,0,1,0|1,0,1]=3 72 B11R1.53 COC1=C([N+](=O)[O-])C=CC=N1 M42782 [0,0,0,0,1,0|3,0,0]=4 73 B11R1.53 COC1=C([N+](=O)[O-])C=NC=C1 M3151 [0,0,0,0,1,0|3,0,0]=4 74 B11R1.53 COC1=CC=CN=C1C(=O)O M45833 [0,0,0,0,1,0|2,0,0]=3 75 B11R1.53 COC1=CC=CN=C1C(C)=O M27805 [0,0,0,0,1,0|1,0,0]=2 76 B11R1.53 COC1=CC=CN=C1[N+](=O)[O-] M39264 [0,0,0,0,1,0|3,0,0]=4 77 B11R1.53 COC1=NC=CN=C1C(=O)O M42787 [0,0,0,0,1,0|3,0,0]=4 78 B11R1.53 CSC1=C(C(=O)O)C=CC=C1 M69034 [0,0,0,0,1,0|1,1,0]=3 79 B11R1.53 CSC1=C([N+](=O)[O-])C=CC=C1 M45826 [0,0,0,0,1,0|2,1,0]=4 80 B11R1.53 CSC1=NC=CC=C1C(=O)O M62219 [0,0,0,0,1,0|2,1,0]=4 81 B11R1.53 NNC1=C(C(=O)O)C=CC=C1 H46555 [0,0,0,0,1,0|3,0,0]=4 82 B11R1.53 O=C(O)C1=C(CCl)C=CC=C1 C48588 [0,0,0,0,1,0|3,0,0]=4 83 B11R1.53 O=C(O)C1=C(CO)C=CC=C1 H49093 [0,0,0,0,1,0|3,0,0]=4 84 B13R1.90 CC(=O)OCC1=C(C#N)C=CC=C1 A0595 [0,0,0,0,0,1|2,0,0]=3 85 B13R1.90 COC1=C(C=CC(=O)O)C=CC=C1 M39590 [0,0,0,0,0,1|2,0,0]=3 86 B13R1.90 COC1=C(CCC(=O)O)C=CC=C1 M52828 [0,0,0,0,0,1|2,0,0]=3 87 B13R1.90 COC1=C(OCC(=O)O)C=CC=C1 M64054 [0,0,0,0,0,1|1,0,0]=2 88 B13R1.90 COC1=C(\C=C\[N+](=O)[O-])C=CC=C1 M66294 [0,0,0,0,0,1|3,0,0]=4 89 B13R1.90 O=C(O)COC1=C(CO)C=CC=C1 H49947 [0,0,0,0,0,1|3,0,0]=4 90 B13R1.90 O=CC1=C(OCC(=O)O)C=CC=C1 F67142 [0,0,0,0,0,1|3,0,0]=4 91 B10R1.4 CCOC1=C([Mg+])C=CC=C1 E31764 [2,0,0,0,0,0|1,0,1]=4 92 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.20 C#CC1=C(C=O)C=CC=C1 E67701 [2,0,0,0,0,0|1,0,1]=4 95 B10R1.20 C#CC1=C(OC)C=CC=C1 E38630 [2,0,0,0,0,0|0,0,2]=4 96 B10R1.20 C=CC1=C(C=O)C=CC=C1 V51543 [2,0,0,0,0,0|1,0,1]=4 97 B10R1.20 CCC1=C(C=O)C=CC=C1 E49869 [2,0,0,0,0,0|1,0,0]=3 98 B10R1.20 CNC1=C(C=O)C=CC=C1 M49260 [2,0,0,0,0,0|1,0,0]=3 99 B10R1.20 CNC1=C(C=O)C=CC=N1 M45978 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.20 CNC1=C(NC)C=CC=C1 D46973 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.20 CNC1=C(OC)C=CC=C1 M46897 [2,0,0,0,0,0|1,0,0]=3 102 B10R1.20 COC1=C(C#N)C=CC=C1 M67889 [2,0,0,0,0,0|1,0,1]=4 103 B10R1.20 COC1=C(C=O)C=CC=C1 A69129 [2,0,0,0,0,0|0,0,0]=2 104 B10R1.20 COC1=C(C=O)C=CC=N1 M4987 [2,0,0,0,0,0|1,0,0]=3 105 B10R1.20 COC1=C(C=O)C=CN=C1 M32191 [2,0,0,0,0,0|1,0,0]=3 106 B10R1.20 COC1=C(C=O)C=NC=C1 M45822 [2,0,0,0,0,0|1,0,0]=3 107 B10R1.20 COC1=C(CN)C=CC=C1 M46906 [2,0,0,0,0,0|1,0,1]=4 108 B10R1.20 COC1=C(OC)C=CC=C1 D64830 [2,0,0,0,0,0|0,0,0]=2 109 B10R1.20 COC1=C(OC)C=NC=C1 D37489 [2,0,0,0,0,0|1,0,0]=3 110 B10R1.20 COC1=CC=CN=C1C=O M3691 [2,0,0,0,0,0|1,0,0]=3 111 B10R1.20 COC1=CC=CN=C1OC D1095 [2,0,0,0,0,0|1,0,0]=3 112 B10R1.20 COC1=CN=CN=C1OC D43216 [2,0,0,0,0,0|2,0,0]=4 113 B10R1.20 N#CC1=C(C=O)C=CC=C1 C38451 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.20 O=CC1=C(C=O)C=CC=C1 B68577 [2,0,0,0,0,0|2,0,0]=4 115 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [2,0,0,0,0,0|2,0,0]=4 117 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [2,0,0,0,0,0|1,0,0]=3 118 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [2,0,0,0,0,0|2,0,0]=4 121 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [2,0,0,0,0,0|1,0,0]=3 122 B10R1.18 S=C(Cl)OC1=CC=CC=C1 P37341 [2,0,0,0,0,0|1,1,0]=4 123 B12R1.112 CCOC1=NC=C(Br)C=C1OC B46774 [1,1,0,0,0,0|1,0,1]=4 124 B12R1.121 COC1=C(CCC=O)C=CC=C1 M52790 [1,1,0,0,0,0|1,0,0]=3 125 B12R1.121 COC1=C(CCCO)C=CC=C1 M53089 [1,1,0,0,0,0|1,0,1]=4 126 B12R1.121 COC1=C(OCCBr)C=CC=C1 B50122 [1,1,0,0,0,0|0,0,1]=3 127 B12R1.121 COC1=C(OCCN)C=CC=C1 M39585 [1,1,0,0,0,0|0,0,1]=3 128 B12R1.121 COC1=C(OCCN)C=CC=C1 M50361 [1,1,0,0,0,0|0,0,1]=3 129 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 A49337 [1,1,0,0,0,0|2,0,0]=4 130 B12R1.127 CC(=O)NC1=C(C)C=CC(F)=C1 A49862 [1,1,0,0,0,0|1,0,0]=3 131 B12R1.127 CC(=O)NC1=C(I)C=CC(F)=C1 F48552 [1,1,0,0,0,0|2,0,0]=4 132 B12R1.127 CC1=C(CC(=O)O)C=C(Br)C=C1 B51909 [1,1,0,0,0,0|2,0,0]=4 133 B12R1.127 CC1=C(OC(C)C)C=C(N)C=C1 P54195 [1,1,0,0,0,0|1,0,1]=4 134 B12R1.127 CC1=CC(CC(=O)O)=C(C)C=C1 D39606 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.127 O=C(O)CC1=C(O)C=CC(Br)=C1 B48648 [1,1,0,0,0,0|2,0,0]=4 136 B12R1.224 CC1=C(F)C=CC=C1CC(=O)O F51950 [1,1,0,0,0,0|2,0,0]=4 137 B12R1.224 CC1=CC=CC(CC(=O)O)=C1C D52800 [1,1,0,0,0,0|2,0,0]=4 138 B12R1.233 CC(=O)CC1=C(Br)C=C(Cl)C=C1 B51652 [1,1,0,0,0,0|2,0,0]=4 139 B12R1.233 CC(=O)CC1=C(F)C=C(F)C=C1 D37777 [1,1,0,0,0,0|2,0,0]=4 140 B12R1.233 CC(=O)NC1=C(Cl)C=C(Br)C=C1 B48546 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.233 CC(=O)NC1=C(F)C=C(C)C=C1 F49864 [1,1,0,0,0,0|2,0,0]=4 142 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 F51952 [1,1,0,0,0,0|2,0,0]=4 143 B12R1.233 CC1=CC(C)=C(CC(=O)O)C=C1 D52798 [1,1,0,0,0,0|2,0,0]=4 144 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 M51890 [1,1,0,0,0,0|2,0,0]=4 145 B12R1.371 COC(=O)CC1=C(C)C=CC=C1 M62751 [1,1,0,0,0,0|1,0,0]=3 146 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 C61032 [1,1,0,0,0,0|2,0,0]=4 147 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 M50057 [1,1,0,0,0,0|2,0,0]=4 148 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 M52111 [1,1,0,0,0,0|2,0,0]=4 149 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 M37939 [1,1,0,0,0,0|1,0,0]=3 150 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 M67182 [1,1,0,0,0,0|2,0,0]=4 151 B12R1.1009 CC1=CC=CC(C)=C1CC(=O)O D52807 [1,1,0,0,0,0|2,0,0]=4 152 B12R1.46 CNC1=C(C(N)=O)C=C(Br)C=C1 B49190 [0,1,0,0,1,0|2,0,0]=4 153 B12R1.46 COC1=C(C(=O)O)C=C(Br)C=C1 B67990 [0,1,0,0,1,0|1,0,0]=3 154 B12R1.46 COC1=C(C(=O)O)C=C(C)C=C1 M49911 [0,1,0,0,1,0|1,0,0]=3 155 B12R1.46 COC1=C(C(=O)O)C=C(C)C=N1 M62514 [0,1,0,0,1,0|2,0,0]=4 156 B12R1.46 COC1=C(C(=O)O)C=C(Cl)C=C1 C38453 [0,1,0,0,1,0|1,0,0]=3 157 B12R1.46 COC1=C(C(=O)O)C=C(F)C=C1 F48676 [0,1,0,0,1,0|1,0,0]=3 158 B12R1.46 COC1=C(C(=O)O)C=C(I)C=C1 K48693 [0,1,0,0,1,0|1,0,0]=3 159 B12R1.46 COC1=C(C(=O)O)N=C(Br)C=C1 B45413 [0,1,0,0,1,0|2,0,0]=4 160 B12R1.46 COC1=C(C(C)=O)C=C(C)C=C1 M52812 [0,1,0,0,1,0|0,0,0]=2 161 B12R1.46 COC1=C(C(C)=O)C=C(F)C=C1 F51949 [0,1,0,0,1,0|0,0,0]=2 162 B12R1.46 COC1=C(C(C)C)C=C(C)C=C1 P54953 [0,1,0,0,1,0|1,0,1]=4 163 B12R1.46 COC1=C(C(C)C)C=C(N)C=C1 P53137 [0,1,0,0,1,0|1,0,1]=4 164 B12R1.46 COC1=C([C@H](C)O)C=C(F)C=C1 F62532 [0,1,0,0,1,0|0,0,2]=4 165 B12R1.46 COC1=C([N+](=O)[O-])C=C(Br)C=C1 B45421 [0,1,0,0,1,0|2,0,0]=4 166 B12R1.46 COC1=C([N+](=O)[O-])C=C(C)C=C1 M60627 [0,1,0,0,1,0|2,0,0]=4 167 B12R1.46 COC1=C([N+](=O)[O-])C=C(F)C=C1 F45451 [0,1,0,0,1,0|2,0,0]=4 168 B12R1.46 COC1=C([N+](=O)[O-])C=C(N)C=C1 M46025 [0,1,0,0,1,0|2,0,0]=4 169 B12R1.46 COC1=C([N+](=O)[O-])C=C(O)C=C1 M45858 [0,1,0,0,1,0|2,0,0]=4 170 B12R1.46 COC1=CN=C(Br)C=C1C(=O)O B45423 [0,1,0,0,1,0|2,0,0]=4 171 B12R1.46 COC1=NC=C(Br)C=C1C(=O)O B12772 [0,1,0,0,1,0|2,0,0]=4 172 B12R1.46 COC1=NC=C(Cl)C=C1C(=O)O C12909 [0,1,0,0,1,0|2,0,0]=4 173 B12R1.46 COC1=NC=C(F)C=C1C(=O)O F45447 [0,1,0,0,1,0|2,0,0]=4 174 B12R1.57 CCC1=C(C(=O)O)C=CC(N)=C1 A50042 [0,1,0,0,1,0|2,0,0]=4 175 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=C1 B48642 [0,1,0,0,1,0|1,0,0]=3 176 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=N1 B45412 [0,1,0,0,1,0|2,0,0]=4 177 B12R1.57 COC1=C(C(=O)O)C=CC(C)=C1 M49919 [0,1,0,0,1,0|1,0,0]=3 178 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=C1 C48657 [0,1,0,0,1,0|1,0,0]=3 179 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=N1 C36979 [0,1,0,0,1,0|2,0,0]=4 180 B12R1.57 COC1=C(C(=O)O)C=CC(F)=C1 F48675 [0,1,0,0,1,0|1,0,0]=3 181 B12R1.57 COC1=C(C(=O)O)C=CC(N)=N1 A46029 [0,1,0,0,1,0|2,0,0]=4 182 B12R1.57 COC1=C(C(C)=O)C=CC(Br)=C1 B38809 [0,1,0,0,1,0|0,0,0]=2 183 B12R1.57 COC1=C(C(C)=O)C=CC(F)=C1 F51948 [0,1,0,0,1,0|0,0,0]=2 184 B12R1.57 COC1=C(C(C)=O)C=CC(N)=C1 A50071 [0,1,0,0,1,0|0,0,0]=2 185 B12R1.57 COC1=C([N+](=O)[O-])C=CC(Br)=C1 B45422 [0,1,0,0,1,0|2,0,0]=4 186 B12R1.57 COC1=C([N+](=O)[O-])C=CC(C)=C1 M68557 [0,1,0,0,1,0|2,0,0]=4 187 B12R1.57 COC1=C([N+](=O)[O-])C=CC(Cl)=C1 C45426 [0,1,0,0,1,0|2,0,0]=4 188 B12R1.57 COC1=C([N+](=O)[O-])C=CC(F)=C1 F27965 [0,1,0,0,1,0|2,0,0]=4 189 B12R1.57 COC1=C([N+](=O)[O-])C=CC(N)=C1 M46024 [0,1,0,0,1,0|2,0,0]=4 190 B12R1.57 COC1=C([N+](=O)[O-])C=CC(O)=C1 M27966 [0,1,0,0,1,0|2,0,0]=4 191 B12R1.57 COC1=CC(Br)=CN=C1C(=O)O B45410 [0,1,0,0,1,0|2,0,0]=4 192 B12R1.57 COC1=CC(Br)=NC=C1C(=O)O B37276 [0,1,0,0,1,0|2,0,0]=4 193 B12R1.57 COC1=CC(Cl)=CN=C1C(=O)O C29584 [0,1,0,0,1,0|2,0,0]=4 194 B12R1.57 COC1=CC(Cl)=NC=C1C(=O)O C45436 [0,1,0,0,1,0|2,0,0]=4 195 B12R1.76 COC1=C(S(=O)(=O)Cl)C=CC=C1 M45940 [0,1,0,0,1,0|2,0,0]=4 196 B12R1.87 CCC1=C(Br)C=CC=C1C(=O)O B51875 [0,1,0,0,1,0|2,0,0]=4 197 B12R1.87 CNC1=C(F)C=CC=C1C(=O)O F48976 [0,1,0,0,1,0|2,0,0]=4 198 B12R1.87 COC1=C(Br)C=CC=C1C(=O)O B48639 [0,1,0,0,1,0|1,0,0]=3 199 B12R1.87 COC1=C(Br)C=CC=C1C(C)=O B51905 [0,1,0,0,1,0|0,0,0]=2 200 B12R1.87 COC1=C(Br)C=CC=C1C(N)=O B48905 [0,1,0,0,1,0|1,0,0]=3 201 B12R1.87 COC1=C(Br)C=CC=C1[N+](=O)[O-] B26989 [0,1,0,0,1,0|2,0,0]=4 202 B12R1.87 COC1=C(Cl)C=CC=C1C(C)=O C51929 [0,1,0,0,1,0|0,0,0]=2 203 B12R1.87 COC1=C(Cl)C=CC=C1[N+](=O)[O-] C45425 [0,1,0,0,1,0|2,0,0]=4 204 B12R1.87 COC1=C(F)C=CC=C1C(=O)O F48673 [0,1,0,0,1,0|1,0,0]=3 205 B12R1.87 COC1=C(F)C=CC=C1C(C)=O F51947 [0,1,0,0,1,0|0,0,0]=2 206 B12R1.261 CC(=O)C1=C(C(=O)O)C=CC=C1 A51621 [0,1,0,0,1,0|2,0,0]=4 207 B12R1.261 CC(=O)C1=C([N+](=O)[O-])C=CC=C1 N39479 [0,1,0,0,1,0|2,0,0]=4 208 B12R1.261 CN(C)C1=C(C(=O)O)C=CC=C1 D50038 [0,1,0,0,1,0|2,0,0]=4 209 B12R1.437 CCC1=CC=CC(N)=C1C(=O)O A64846 [0,1,0,0,1,0|2,0,0]=4 210 B12R1.437 COC1=C(C(=O)O)C(C)=CC=C1 M38620 [0,1,0,0,1,0|1,0,0]=3 211 B12R1.437 COC1=C(C(=O)O)C(Cl)=NC=C1 C38099 [0,1,0,0,1,0|2,0,0]=4 212 B12R1.437 COC1=C(C(=O)O)C(F)=NC=C1 F45446 [0,1,0,0,1,0|2,0,0]=4 213 B12R1.437 COC1=C(C(=O)O)C(N)=CC=C1 A49318 [0,1,0,0,1,0|1,0,0]=3 214 B12R1.437 COC1=C(C(C)=O)C(C)=CC=C1 M52813 [0,1,0,0,1,0|0,0,0]=2 215 B12R1.437 COC1=C(C(C)=O)C(O)=CC=C1 H49930 [0,1,0,0,1,0|0,0,0]=2 216 B12R1.437 COC1=C([N+](=O)[O-])C(C)=CC=C1 M49330 [0,1,0,0,1,0|2,0,0]=4 217 B12R1.437 COC1=C([N+](=O)[O-])C(N)=CC=C1 M46023 [0,1,0,0,1,0|2,0,0]=4 218 B12R1.437 COC1=CC=CC(Br)=C1C(=O)O B48638 [0,1,0,0,1,0|1,0,0]=3 219 B12R1.437 COC1=CC=CC(Br)=C1C(C)=O B51904 [0,1,0,0,1,0|0,0,0]=2 220 B12R1.437 COC1=CC=CC(Br)=C1C(N)=O B48904 [0,1,0,0,1,0|1,0,0]=3 221 B12R1.437 COC1=CC=CC(Br)=C1[N+](=O)[O-] B45416 [0,1,0,0,1,0|2,0,0]=4 222 B12R1.437 COC1=CC=CC(Cl)=C1C(=O)O C48655 [0,1,0,0,1,0|1,0,0]=3 223 B12R1.437 COC1=CC=CC(Cl)=C1C(C)=O C51928 [0,1,0,0,1,0|0,0,0]=2 224 B12R1.437 COC1=CC=CC(F)=C1C(=O)O F48672 [0,1,0,0,1,0|1,0,0]=3 225 B12R1.437 COC1=CC=CC(F)=C1C(C)=O F51946 [0,1,0,0,1,0|0,0,0]=2 226 B12R1.437 COC1=CC=CC(F)=C1[N+](=O)[O-] F36975 [0,1,0,0,1,0|2,0,0]=4 227 B12R1.437 COC1=CC=CC(I)=C1C(=O)O K48691 [0,1,0,0,1,0|1,0,0]=3 228 B12R1.437 COC1=NC=CC(Br)=C1C(=O)O B45409 [0,1,0,0,1,0|2,0,0]=4 229 B12R1.437 COC1=NC=CC(Cl)=C1C(=O)O C45434 [0,1,0,0,1,0|2,0,0]=4 230 B12R1.437 COC1=NC=CC(I)=C1C(=O)O K61990 [0,1,0,0,1,0|2,0,0]=4 231 B14R1.863 COC(=O)COC1=C(C=O)C=CC=C1 M52474 [0,1,0,0,0,1|2,0,0]=4 232 B14R1.3135 COC1=C(C[C@H](N)C(=O)O)C=CC=C1 A52981 [0,1,0,0,0,1|2,0,0]=4 233 B14R1.101 COC1=C(OC(C)C)C=CC(CO)=C1 P66814 [0,2,0,0,0,0|1,0,1]=4 234 B14R1.2178 CCC1=C(NC(=O)CCl)C(C)=CC=C1 C54752 [0,2,0,0,0,0|2,0,0]=4 235 B14R1.744 COC(=O)C1=C(CC(=O)O)C=CC=C1 M52485 [0,2,0,0,0,0|2,0,0]=4 236 B14R1.814 CC(=O)NC1=C(NC(C)=O)C=CC=C1 P52695 [0,2,0,0,0,0|2,0,0]=4 237 B12R1.440 COC1=CC=CC(C(C)=O)=C1N A50070 [0,0,1,1,0,0|2,0,0]=4 238 B12R1.440 COC1=CC=CC(C(C)=O)=C1O H11176 [0,0,1,1,0,0|2,0,0]=4 239 B12R1.453 COC1=CC(C(C)=O)=C(Br)C=C1 B51903 [0,0,1,1,0,0|2,0,0]=4 240 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 H49921 [0,0,1,1,0,0|2,0,0]=4 241 B12R2.1 O=CC1=COC2=C1C=CC=C2 B23789 [1,0,0,1,0,0|1,0,1]=4 242 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)O1 B62060 [1,0,0,1,0,0|2,0,0]=4 243 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 D68340 [1,0,0,1,0,0|2,0,0]=4 244 B12R2.18 CC1=CC2=C(C=CC=C2)N1C D26007 [1,0,0,1,0,0|2,0,0]=4 245 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 M48815 [1,0,0,1,0,0|2,0,0]=4 246 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 D67464 [1,0,0,1,0,0|2,0,0]=4 247 B12R2.24 O=C1COC2=C(C=CC=C2)N1 B48457 [1,0,0,1,0,0|1,0,0]=3 248 B12R2.24 O=C1COC2=C(C=CC=C2)O1 B62111 [1,0,0,1,0,0|0,0,0]=2 249 B12R2.24 O=C1COC2=C(C=CC=N2)N1 P61000 [1,0,0,1,0,0|2,0,0]=4 250 B12R2.24 O=C1COC2=CC=CN=C2N1 P38148 [1,0,0,1,0,0|2,0,0]=4 251 B12R2.41 C1=CC2=C(C=C1)OCCNC2 T50030 [1,0,0,1,0,0|2,0,0]=4 252 B12R2.315 COC1=C2C=CNC2=CC=C1 M2322 [1,0,0,1,0,0|2,0,0]=4 253 B12R2.315 COC1=C2CNCC2=CC=C1 M52105 [1,0,0,1,0,0|2,0,0]=4 254 B12R2.315 COC1=C2NC=CC2=CC=C1 M2324 [1,0,0,1,0,0|1,0,1]=4 255 B12R2.315 COC1=C2NC=NC2=CC=C1 M48806 [1,0,0,1,0,0|2,0,0]=4 256 B12R2.315 COC1=C2OC=CC2=CC=C1 M51551 [1,0,0,1,0,0|0,0,1]=3 257 B12R2.315 COC1=C2OC=CC2=CC=N1 M12912 [1,0,0,1,0,0|1,0,1]=4 258 B12R2.315 COC1=CC=CC2=C1C=CS2 M63543 [1,0,0,1,0,0|1,1,0]=4 259 B12R2.202 CC1=CC2=C(O)C=CC=C2N1 M23244 [1,0,0,1,0,0|2,0,0]=4 260 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 M51751 [1,0,0,1,0,0|2,0,0]=4 261 B12R2.202 CC1=CC=CC2=C1NC(C)=N2 D63300 [1,0,0,1,0,0|2,0,0]=4 262 B12R2.202 CC1=CC=NC2=C1NC(=O)C2 M48820 [1,0,0,1,0,0|2,0,0]=4 263 B12R2.202 NC1=CC=CC2=C1NC(=O)C2 A48794 [1,0,0,1,0,0|2,0,0]=4 264 B12R2.202 NC1=CC=CC2=C1OC(=O)N2 A45229 [1,0,0,1,0,0|2,0,0]=4 265 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 H48455 [1,0,0,1,0,0|2,0,0]=4 266 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 B10978 [1,0,0,1,0,0|2,0,0]=4 267 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 B12492 [1,0,0,1,0,0|2,0,0]=4 268 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 F48096 [1,0,0,1,0,0|2,0,0]=4 269 B12R2.202 O=C1NC2=CC=CC(Br)=C2O1 B44448 [1,0,0,1,0,0|2,0,0]=4 270 B12R2.2028 CC1=CN(C)C2=C1C=CC=C2 D52502 [0,0,0,1,1,0|2,0,0]=4 271 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 M48798 [0,0,0,1,1,0|2,0,0]=4 272 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 I36660 [0,0,0,1,1,0|2,0,0]=4 273 B14R2.2 CC(=O)O[C@H]1CCC2=CC=CN=C21 D60958 [0,0,0,1,0,1|2,0,0]=4 274 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 M22616 [0,0,0,1,0,1|2,0,0]=4 275 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)O1 C37839 [0,0,0,1,0,1|2,0,0]=4 276 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 D9562 [0,0,0,1,0,1|1,0,0]=3 277 B14R2.1073 COC1=CC=CC2=C1C=CC(=O)N2 M53923 [0,0,0,1,0,1|2,0,0]=4 278 B14R2.1073 COC1=CC=CC2=C1CCC(=O)C2 M4692 [0,0,0,1,0,1|1,0,0]=3 279 B14R2.11625 COC1=C(OC[C@H]2CO2)C=CC=C1 M52842 [0,0,0,1,0,1|0,0,2]=4 280 B14R2.300 CC(=O)N1CCC2=C1C=CC(O)=C2 H52564 [0,1,0,1,0,0|2,0,0]=4 281 B14R2.7974 NC1=CC2=C(C=C1)NC(=O)CCC2 A14224 [0,1,0,1,0,0|2,0,0]=4 282 B14R2.25733 CC(=O)C1=CN(C)C2=C1C=CC=C2 A54401 [0,1,0,1,0,0|2,0,0]=4 283 B14R2.25733 CC(=O)C1=NN(C)C2=C1C=CC=C2 M9335 [0,1,0,1,0,0|2,0,0]=4 284 B14R2.25733 CC(=O)N1CC(=O)C2=C1C=CC=C2 A21724 [0,1,0,1,0,0|2,0,0]=4 285 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 D12993 [0,1,0,1,0,0|2,0,0]=4 286 B14R2.741 CN1CCC2=C(C=CC=C2)CC1=O M64138 [0,1,0,1,0,0|2,0,0]=4 287 B14R2.741 N[C@H]1CCC2=C(C=CC=C2)NC1=O A52692 [0,1,0,1,0,0|2,0,0]=4 288 B14R2.741 O=C1NC2=C(C=CC=C2)CC[C@@H]1Br B52396 [0,1,0,1,0,0|2,0,0]=4 289 B14R2.11645 COC1=CC=CC2=C1NC(=O)C2=O M51201 [0,1,0,1,0,0|1,0,1]=4 290 B14R2.11684 COC1=C2OC(=O)C=CC2=CC=C1 M61686 [0,1,0,1,0,0|0,0,1]=3 291 B14R2.8032 CC(=O)N1CCC2=C1C=CC=C2N A52687 [0,1,0,1,0,0|2,0,0]=4 292 B14R2.8032 CC(=O)N1CCC2=C1C=CC=C2O H52563 [0,1,0,1,0,0|2,0,0]=4 293 B14R2.9440 CC(=O)OC1=C2C=CNC2=CC=C1 K53914 [0,1,0,1,0,0|1,0,1]=4 294 B14R2.9440 CC(=O)OC1=C2NC=CC2=CC=C1 A53913 [0,1,0,1,0,0|1,0,1]=4 295 B14R2.28454 O=C1CCCC2=C(F)C=CC=C2N1 F52402 [0,1,0,1,0,0|2,0,0]=4 296 B14R2.1146 COC1=CC(=O)NC2=C1C=CC=C2 M53922 [0,1,0,1,0,0|1,0,1]=4 297 B14R2.1146 COC1=CC(=O)OC2=C1C=CC=C2 M62171 [0,1,0,1,0,0|0,0,1]=3 298 B14R2.390 O=C1CCCC2=CC=CC(F)=C2N1 F52403 [0,1,0,1,0,0|2,0,0]=4 299 B14R2.380 NC1=CC2=C(C=C1)CCCC(=O)N2 A1769 [0,1,0,1,0,0|2,0,0]=4 300 B14R2.1726 COC1=C2C=C(C)NC2=C(F)C=C1 F60320 [0,1,0,1,0,0|2,0,0]=4 301 B10R1.61 C=C(C)C1=C(N)C=CC=C1 P49976 [1,0,0,0,1,0|2,0,0]=4 302 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 B48708 [1,0,0,0,1,0|1,0,0]=3 303 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 B45470 [1,0,0,0,1,0|2,0,0]=4 304 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 A10416 [1,0,0,0,1,0|2,0,0]=4 305 B10R1.61 CC(=O)C1=C(C)C=CC=C1 T39529 [1,0,0,0,1,0|0,0,0]=2 306 B10R1.61 CC(=O)C1=C(C)N=CC=C1 M21788 [1,0,0,0,1,0|1,0,0]=3 307 B10R1.61 CC(=O)C1=C(C)N=CN=C1 M45983 [1,0,0,0,1,0|2,0,0]=4 308 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 C68333 [1,0,0,0,1,0|1,0,0]=3 309 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 A11386 [1,0,0,0,1,0|2,0,0]=4 310 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 C16933 [1,0,0,0,1,0|2,0,0]=4 311 B10R1.61 CC(=O)C1=C(F)C=CC=C1 F69325 [1,0,0,0,1,0|1,0,0]=3 312 B10R1.61 CC(=O)C1=C(F)C=CC=N1 A12617 [1,0,0,0,1,0|2,0,0]=4 313 B10R1.61 CC(=O)C1=C(F)C=NC=C1 A12618 [1,0,0,0,1,0|2,0,0]=4 314 B10R1.61 CC(=O)C1=C(I)C=CC=C1 K48750 [1,0,0,0,1,0|1,0,0]=3 315 B10R1.61 CC(=O)C1=C(N)C=CC=C1 A49645 [1,0,0,0,1,0|1,0,0]=3 316 B10R1.61 CC(=O)C1=C(N)C=NC=C1 A45980 [1,0,0,0,1,0|2,0,0]=4 317 B10R1.61 CC(=O)C1=C(N)N=CC=C1 A45979 [1,0,0,0,1,0|2,0,0]=4 318 B10R1.61 CC(=O)C1=C(O)C=NC=C1 H45819 [1,0,0,0,1,0|1,0,0]=3 319 B10R1.61 CC(=O)C1=CC=CN=C1Br A13535 [1,0,0,0,1,0|2,0,0]=4 320 B10R1.61 CC(=O)C1=CC=CN=C1Cl A12691 [1,0,0,0,1,0|2,0,0]=4 321 B10R1.61 CC(=O)C1=CC=CN=C1F A45493 [1,0,0,0,1,0|2,0,0]=4 322 B10R1.61 CC(=O)C1=CC=CNC1=O A45815 [1,0,0,0,1,0|1,0,1]=4 323 B10R1.61 CC(=O)C1=CNC=CC1=O A45816 [1,0,0,0,1,0|1,0,1]=4 324 B10R1.61 CC(=O)C1=NC=CC=C1O H37046 [1,0,0,0,1,0|1,0,0]=3 325 B10R1.61 CC(=O)C1=NC=CN=C1C M45981 [1,0,0,0,1,0|2,0,0]=4 326 B10R1.61 CC1=C(C(=N)N)C=CC=C1 M49487 [1,0,0,0,1,0|2,0,0]=4 327 B10R1.61 CC1=C(C(=O)O)C=CC=C1 T69330 [1,0,0,0,1,0|1,0,0]=3 328 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M14576 [1,0,0,0,1,0|2,0,0]=4 329 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M45814 [1,0,0,0,1,0|2,0,0]=4 330 B10R1.61 CC1=C(C(=O)O)C=CN=C1 M14013 [1,0,0,0,1,0|2,0,0]=4 331 B10R1.61 CC1=C(C(=O)O)C=NC=C1 M4658 [1,0,0,0,1,0|2,0,0]=4 332 B10R1.61 CC1=C(C(N)=O)C=CC=N1 M45974 [1,0,0,0,1,0|2,0,0]=4 333 B10R1.61 CC1=C(C(N)=O)C=CN=C1 M45976 [1,0,0,0,1,0|2,0,0]=4 334 B10R1.61 CC1=C(C(N)=S)C=CC=C1 M69080 [1,0,0,0,1,0|1,1,0]=4 335 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 T52160 [1,0,0,0,1,0|1,0,1]=4 336 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 T52162 [1,0,0,0,1,0|1,0,1]=4 337 B10R1.61 CC1=CC=CN=C1C(=O)O M14577 [1,0,0,0,1,0|2,0,0]=4 338 B10R1.61 CC1=CC=CN=C1C(=O)O M62138 [1,0,0,0,1,0|2,0,0]=4 339 B10R1.61 CN(C)C1=C(O)C=CC=C1 D23348 [1,0,0,0,1,0|2,0,0]=4 340 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 B61279 [1,0,0,0,1,0|2,0,0]=4 341 B10R1.61 NC(=O)C1=C(I)C=CC=C1 K45507 [1,0,0,0,1,0|2,0,0]=4 342 B10R1.61 NC(=O)C1=C(N)C=CC=C1 A64967 [1,0,0,0,1,0|2,0,0]=4 343 B10R1.61 NC(=O)C1=C(O)C=NC=C1 H63051 [1,0,0,0,1,0|2,0,0]=4 344 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 K44672 [1,0,0,0,1,0|2,0,0]=4 345 B10R1.61 O=C(O)C1=C(O)C=NC=C1 H12635 [1,0,0,0,1,0|2,0,0]=4 346 B10R1.61 O=C(O)C1=NC=CC=C1O H25980 [1,0,0,0,1,0|2,0,0]=4 347 B10R1.64 CC(=O)SC1=C(C)OC=C1 M46247 [1,0,0,0,1,0|1,1,0]=4 348 B10R1.39 CCN1C=CC=C1C(C)=O E46916 [0,0,0,0,2,0|2,0,0]=4 349 B10R1.39 COC1=CSC=C1C(=O)O M42956 [0,0,0,0,2,0|2,0,0]=4