0 B11R1.266 C#CC1=CC=CC(C(C)=O)=C1 C77890 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.266 C=CC1=CC=CC(C(C)=O)=C1 75088 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.266 CC(=O)C1=CC(C=O)=CC=C1 CL9709 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.266 CC(=O)C1=CC=CC(CBr)=C1 72814 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.266 CC(=O)C1=NC=CC(C#N)=C1 50485 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.266 CCC1=NC=CC(B(O)O)=C1 FD10162 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.266 CCC1=NC=CC(C(=O)O)=C1 AC8491 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.266 CNC1=NC=CC(C(=O)O)=C1 AT13630 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 N14218 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.266 COC1=CC=NC(C(=O)O)=N1 F10461 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.266 COC1=CN=CC(C(N)=O)=N1 D75899 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.266 COC1=NC(C(=N)N)=NC=C1 38083 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.266 COC1=NC([C@H](C)N)=CC=C1 90545 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.266 COC1=NC([C@H](C)N)=CC=C1 E72740 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.266 COC1=NC=CC([C@H](C)N)=C1 F16998 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.266 CSC1=CC([C@H](C)N)=CC=C1 N11121 [0,0,0,0,0,0|2,1,1]=4 16 B11R1.266 CSC1=CN=CC(B(O)O)=C1 FD10106 [0,0,0,0,0,0|2,1,1]=4 17 B11R1.266 C[C@H](O)C1=CC(C#N)=CC=C1 AC3011 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.266 N#CC1=CC(C(=N)N)=CC=C1 AC5671 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.266 N#CC1=CC(C(=O)[O-])=NC=C1 AT22702 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.266 NCC1=CC=CC(C(=O)O)=N1 C14979 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.266 NCC1=CC=CC(C(=O)O)=N1 N10456 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.266 NCC1=CC=CC(C(N)=O)=C1 S11363 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.266 NCC1=NC=CC(C(=O)O)=C1 AT13155 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.266 NNC1=CC=CC(C(=O)O)=N1 F17297 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.266 NNC1=NC=CC(C(=O)O)=C1 P10527 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.266 O=CC1=CC(C(=O)O)=CN=C1 AT13148 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.266 O=CC1=CC=CC(C(=O)O)=N1 AT13153 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.113 C=C(C)C1=CC=CC(Br)=C1 AC1303 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.113 CC(=O)C1=CC(=O)NC=C1 90624 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.113 CC(=O)C1=CN=NC(C)=C1 E71800 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.113 CC(=O)C1=NC(N)=CC=C1 N14723 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.113 CC1=CC(B(O)O)=NC=C1 83427 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.113 CC1=CC=CC(B([O-])O)=N1 AT15842 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.113 CC1=CC=CC(C(=N)N)=N1 74734 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.113 CC1=CC=CC(C(C)C)=C1 T71023 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.113 CC1=NC=CC([C@H](C)O)=C1 F13150 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 F16880 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1245 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.113 C[C@H](O)C1=CC=CC(O)=C1 59959 [1,0,0,0,0,0|1,0,1]=3 40 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50248 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50315 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.113 NC(=S)C1=CC=CC(I)=C1 A10482 [1,0,0,0,0,0|2,1,0]=4 43 B10R1.113 NC1=CC=NC(C(=O)O)=N1 AT18255 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.113 O=C(Cl)C1=NC=CC(Cl)=C1 D84548 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.113 O=C(O)C1=NC=CC(O)=C1 AC3399 [1,0,0,0,0,0|1,0,0]=2 46 B10R1.113 O=C([O-])C1=CC=CC(Cl)=C1 I11436 [1,0,0,0,0,0|1,0,1]=3 47 B10R1.113 O=[N+]([O-])C1=CC=CC(S)=C1 AT20860 [1,0,0,0,0,0|1,1,1]=4 48 B10R1.113 O=[N+]([O-])C1=NC(O)=CC=C1 D83533 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.113 OB(O)C1=CC(O)=CN=C1 AT14949 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.113 OB(O)C1=CC=CC(S)=C1 C10361 [1,0,0,0,0,0|1,1,1]=4 51 B10R1.172 C=CC1=CC=CC(OC)=N1 52911 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.172 CCC1=CC=CC(CO)=C1 D85939 [1,0,0,0,0,0|1,0,1]=3 53 B10R1.172 CNC1=CC=CC(CO)=C1 AT21037 [1,0,0,0,0,0|1,0,1]=3 54 B10R1.172 CNC1=CC=CC(SC)=C1 AT20859 [1,0,0,0,0,0|2,1,0]=4 55 B10R1.172 CNC1=NC=CC(CO)=C1 AT18191 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.172 COC1=CC(CCl)=CN=C1 81942 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.172 COC1=CC=CC(CCl)=N1 81766 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.172 COC1=CC=NC(C=O)=N1 AT18294 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.172 COC1=CN=NC(CO)=C1 P14137 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.172 COC1=NC(CN)=CC=C1 79028 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.172 COC1=NC(NN)=CC=C1 F16103 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.172 COC1=NC=CC(CCl)=C1 P17364 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.172 COC1=NC=CC(SC)=C1 F50801 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.172 CSC1=CC(CN)=CC=C1 N14326 [1,0,0,0,0,0|1,1,1]=4 65 B10R1.172 NCC1=CC=CC(CO)=C1 C75075 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.172 O=CC1=CC(C=O)=NC=C1 CS1671 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.172 O=CC1=NC=CC(CO)=C1 60952 [1,0,0,0,0,0|3,0,0]=4 68 B12R1.11 CC1=CC(C(=O)O)=CC(C=O)=C1 N12736 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.11 CNC1=CC(C(=O)O)=CC(O)=C1 AC7157 [0,1,0,0,0,0|1,0,0]=2 70 B12R1.11 CNC1=NC(C)=CC(C(=O)O)=N1 AT18322 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.11 COC1=CC(C)=CC(B(O)O)=C1 D71660 [0,1,0,0,0,0|1,0,1]=3 72 B12R1.11 COC1=NC(C(=O)O)=CC(Cl)=N1 97025 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.11 O=C(O)C1=CC(CO)=CC(Cl)=C1 AC4463 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.56 CC(=O)C1=CC(CBr)=C(Br)C=C1 N16965 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.56 CC(=O)C1=CC(CCl)=C(Br)C=C1 F16009 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.56 CC(=O)C1=CC(CO)=C(Br)C=C1 AT15931 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.56 CC1=C(C=O)C=C(C(=O)O)C=C1 CL9386 [0,1,0,0,0,0|2,0,0]=3 78 B12R1.56 CC1=C(NN)C=C(C(=O)O)C=C1 H10079 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.56 CCC1=C(F)C=CC([N+](=O)[O-])=C1 D84265 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.56 CCC1=C(N)C=CC([N+](=O)[O-])=C1 C13883 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.56 CCC1=C(O)C=CC(B(O)O)=C1 N11749 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.56 CCC1=NC(C(=O)O)=CNC1=O 57163 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.56 CCN1C=C(C(=O)O)C=CC1=O AT13776 [0,1,0,0,0,0|2,0,0]=3 84 B12R1.56 CCN1N=C(C(=O)O)C=CC1=O AT13814 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.56 CNC1=C(Cl)C=CC([N+](=O)[O-])=C1 D88187 [0,1,0,0,0,0|2,0,1]=4 86 B12R1.56 CNC1=C(N)C=CC([N+](=O)[O-])=C1 71927 [0,1,0,0,0,0|2,0,1]=4 87 B12R1.56 COC1=C(Br)C=CC(B(O)O)=C1 N12676 [0,1,0,0,0,0|1,0,1]=3 88 B12R1.56 COC1=C(Br)C=CC(C(=N)N)=C1 56647 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.56 COC1=C(Br)C=CC(C(C)C)=C1 D87066 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.56 COC1=C(Br)C=CC(C(N)=O)=N1 96346 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.56 COC1=C(O)C=CC([C@H](C)N)=C1 N14804 [0,1,0,0,0,0|2,0,1]=4 92 B12R1.56 COC1=C(O)C=CC([C@H](C)N)=C1 N14805 [0,1,0,0,0,0|2,0,1]=4 93 B12R1.56 COC1=CC(B(O)O)=CN=C1Cl F17105 [0,1,0,0,0,0|2,0,1]=4 94 B12R1.56 COC1=CC(B(O)O)=CN=C1F D71646 [0,1,0,0,0,0|2,0,1]=4 95 B12R1.56 COC1=CC(C(=O)O)=CN=C1Br AT21522 [0,1,0,0,0,0|1,0,0]=2 96 B12R1.56 COC1=CC(C(=O)O)=CN=C1F 91701 [0,1,0,0,0,0|1,0,0]=2 97 B12R1.56 N#CC1=C(Cl)C=CC(C(=O)Cl)=C1 O11211 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.258 CC(=O)C1=NC(N(C)C)=CC=C1 F13170 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.258 CN(C)C1=CC(C(=O)O)=CN=C1 30492 [0,1,0,0,0,0|2,0,0]=3 100 B12R1.258 C[C@H](O)C1=CC(N(C)C)=CC=C1 T71018 [0,1,0,0,0,0|2,0,1]=4 101 B12R1.258 C[C@H](O)C1=CC=CC([N+](=O)[O-])=C1 C14061 [0,1,0,0,0,0|2,0,1]=4 102 B12R1.258 NC(=O)C1=CC=CC(C(=O)O)=N1 C16847 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.258 O=C(O)C1=CC=CC(C(F)F)=C1 AT10610 [0,1,0,0,0,0|2,0,0]=3 104 B12R1.258 O=C(O)C1=NC=CC(B(O)O)=C1 AT14615 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.279 CCOC1=CC([C@H](C)N)=CC=C1 N12264 [0,1,0,0,0,0|2,0,1]=4 106 B12R1.279 CCOC1=CN=CC(B(O)O)=C1 FD10219 [0,1,0,0,0,0|2,0,1]=4 107 B12R1.279 CCOC1=NC=CC(B(O)O)=C1 FD10161 [0,1,0,0,0,0|2,0,1]=4 108 B12R1.279 CCSC1=CC(C(=O)O)=CC=C1 AT22915 [0,1,0,0,0,0|0,1,0]=2 109 B12R1.279 CNCC1=CC=CC(C(N)=O)=C1 C78630 [0,1,0,0,0,0|2,0,0]=3 110 B12R1.279 COCC1=CC=CC([N+](=O)[O-])=C1 AC4431 [0,1,0,0,0,0|1,0,1]=3 111 B12R1.279 CSCC1=CC([N+](=O)[O-])=CC=C1 W11214 [0,1,0,0,0,0|1,1,1]=4 112 B12R1.279 NCCC1=CC=CC(C(=O)O)=C1 D87884 [0,1,0,0,0,0|1,0,0]=2 113 B12R1.435 C=CC1=CC=CC(C(=O)OC)=N1 87880 [0,1,0,0,0,0|2,0,1]=4 114 B12R1.435 C=C[C@H](N)C1=CC=CC(OC)=C1 N15286 [0,1,0,0,0,0|2,0,1]=4 115 B12R1.435 C=C[C@H](N)C1=CC=CC(OC)=C1 N15287 [0,1,0,0,0,0|2,0,1]=4 116 B12R1.435 C=C[C@H](N)C1=CC=CC(OC)=C1 N15288 [0,1,0,0,0,0|2,0,1]=4 117 B12R1.435 CCC(=O)C1=CC(OC)=NC=C1 N14282 [0,1,0,0,0,0|2,0,0]=3 118 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 N11148 [0,1,0,0,0,0|2,0,1]=4 119 B12R1.435 CC[C@H](O)C1=CC=CC(OC)=C1 N12603 [0,1,0,0,0,0|1,0,1]=3 120 B12R1.435 CNC(=O)C1=CC(CN)=CC=C1 A50522 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.435 COC(=O)C1=CC(CBr)=NC=C1 O11854 [0,1,0,0,0,0|3,0,0]=4 122 B12R1.435 COC(=O)C1=CC(SC)=CN=C1 31497 [0,1,0,0,0,0|1,1,0]=3 123 B12R1.435 COC(=O)C1=CN=NC(OC)=C1 F30499 [0,1,0,0,0,0|2,0,0]=3 124 B12R1.435 COC(=O)C1=NC(CN)=CC=C1 AC8758 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.435 COC(=O)C1=NC(OC)=NC=C1 F30443 [0,1,0,0,0,0|2,0,0]=3 126 B12R1.435 COC1=CC(C(=O)NN)=NC=C1 D74450 [0,1,0,0,0,0|2,0,0]=3 127 B12R1.435 COC1=CC([C@@H](C)CN)=CC=C1 W13097 [0,1,0,0,0,0|2,0,1]=4 128 B12R1.435 COC1=CC([C@@H](C)CN)=CC=C1 W19078 [0,1,0,0,0,0|2,0,1]=4 129 B12R1.435 COC1=CC([C@@H](N)CN)=CC=C1 N13477 [0,1,0,0,0,0|2,0,1]=4 130 B12R1.435 COC1=CC([C@@H](N)CN)=CC=C1 N13478 [0,1,0,0,0,0|2,0,1]=4 131 B12R1.435 COC1=CC([C@@H](N)CN)=CC=C1 N13479 [0,1,0,0,0,0|2,0,1]=4 132 B12R1.435 COC1=CC([C@@H](N)CN)=CC=C1 N13485 [0,1,0,0,0,0|2,0,1]=4 133 B12R1.435 COC1=CC([C@@H](N)CN)=CC=C1 N13486 [0,1,0,0,0,0|2,0,1]=4 134 B12R1.435 COC1=CC([C@@H](N)CN)=CC=C1 N13487 [0,1,0,0,0,0|2,0,1]=4 135 B12R1.435 COC1=CC([C@@H](O)CN)=CC=C1 C78115 [0,1,0,0,0,0|1,0,1]=3 136 B12R1.435 COC1=CC(\C(N)=N\O)=CC=C1 71626 [0,1,0,0,0,0|1,0,0]=2 137 B12R1.435 COC1=CC=CC(C(=O)CN)=C1 C78086 [0,1,0,0,0,0|1,0,0]=2 138 B12R1.435 COC1=CC=CC(C(=O)CO)=C1 AC7045 [0,1,0,0,0,0|0,0,0]=1 139 B12R1.435 COC1=CC=CC(\C(Cl)=N\O)=C1 65924 [0,1,0,0,0,0|1,0,0]=2 140 B12R1.435 COC1=NC([C@@H](N)CO)=CC=C1 Y12867 [0,1,0,0,0,0|2,0,1]=4 141 B12R1.435 COC1=NC=CC([C@@H](N)CO)=C1 F16967 [0,1,0,0,0,0|2,0,1]=4 142 B12R1.435 COC1=NC=CC([C@@H](N)CO)=C1 Y11227 [0,1,0,0,0,0|2,0,1]=4 143 B12R1.435 CSC1=CC([C@@H](N)CO)=CC=C1 N10545 [0,1,0,0,0,0|1,1,1]=4 144 B12R1.435 N#CC1=CC=CC(C(=O)CO)=C1 AC6884 [0,1,0,0,0,0|2,0,0]=3 145 B12R1.436 COC1=CC(S(=O)(=O)Cl)=CN=C1 AT11621 [0,1,0,0,0,0|2,0,1]=4 146 B12R1.436 COC1=CC=CC(S(=O)(=O)Cl)=N1 AT26543 [0,1,0,0,0,0|2,0,1]=4 147 B12R1.436 COC1=CC=CC(S(=O)(=O)F)=N1 AT26551 [0,1,0,0,0,0|2,0,1]=4 148 B12R1.436 COC1=CC=CC([S@@](C)(=N)=O)=C1 E72374 [0,1,0,0,0,0|2,0,0]=3 149 B12R1.436 COC1=NC=CC(S(C)(=O)=O)=C1 F50800 [0,1,0,0,0,0|2,0,1]=4 150 B12R1.436 [2H]C([2H])([2H])C1=CC=CC(OC)=C1 D99758 [0,1,0,0,0,0|2,0,1]=4 151 B12R1.440 CC1=C(C(=O)O)C=CC=C1C#N AT21035 [0,1,0,0,0,0|2,0,0]=3 152 B12R1.440 CNC1=CC=CC(C(=O)O)=C1O W11124 [0,1,0,0,0,0|1,0,0]=2 153 B12R1.440 COC1=C(Br)C(B(O)O)=CC=C1 N10026 [0,1,0,0,0,0|1,0,1]=3 154 B12R1.440 COC1=C(C)C(C(=O)O)=NC=C1 CS1893 [0,1,0,0,0,0|1,0,0]=2 155 B12R1.440 COC1=C(F)C(C(C)=O)=CC=C1 57987 [0,1,0,0,0,0|1,0,0]=2 156 B12R1.440 COC1=C(F)C([C@H](C)O)=CC=C1 57985 [0,1,0,0,0,0|1,0,1]=3 157 B12R1.440 COC1=CN=CC(C(=O)O)=C1C CS1896 [0,1,0,0,0,0|1,0,0]=2 158 B12R1.453 CC(=O)C1=C(Br)C=CC(C#N)=C1 AC8255 [0,1,0,0,0,0|3,0,0]=4 159 B12R1.453 CC(=O)C1=C(O)C=CC(CCl)=C1 F13165 [0,1,0,0,0,0|3,0,0]=4 160 B12R1.453 CC(=O)C1=C(O)C=CC(CO)=C1 F13145 [0,1,0,0,0,0|3,0,0]=4 161 B12R1.453 CC1=C(C(=O)O)C=C(CN)C=C1 F13782 [0,1,0,0,0,0|2,0,0]=3 162 B12R1.453 CCC1=NC(C(=O)O)=C(Cl)C=N1 AT18442 [0,1,0,0,0,0|3,0,0]=4 163 B12R1.453 COC1=CC(C(C)=O)=C(F)C=N1 54893 [0,1,0,0,0,0|2,0,0]=3 164 B12R1.453 COC1=CC(C(C)=O)=C(O)N=C1 P20934 [0,1,0,0,0,0|2,0,0]=3 165 B12R1.453 COC1=CC([C@H](C)N)=C(F)C=C1 57899 [0,1,0,0,0,0|2,0,1]=4 166 B12R1.453 COC1=CC([C@H](C)N)=C(F)C=C1 57900 [0,1,0,0,0,0|2,0,1]=4 167 B12R1.453 COC1=CC([C@H](C)N)=C(O)C=C1 N12705 [0,1,0,0,0,0|2,0,1]=4 168 B12R1.453 COC1=CC([C@H](C)N)=C(O)C=C1 N14812 [0,1,0,0,0,0|2,0,1]=4 169 B12R1.453 COC1=CN=C(Cl)C([N+](=O)[O-])=C1 O10738 [0,1,0,0,0,0|2,0,1]=4 170 B12R1.453 COC1=CN=C(F)C(C(=O)O)=C1 F12187 [0,1,0,0,0,0|1,0,0]=2 171 B12R1.453 COC1=NC(C(=O)O)=C(Cl)C=C1 AC6970 [0,1,0,0,0,0|1,0,0]=2 172 B12R1.453 CSC1=CC(C(=O)O)=C(C)C=C1 AT20791 [0,1,0,0,0,0|0,1,0]=2 173 B12R1.453 CSC1=CC(C(=O)O)=C(O)C=C1 AT20799 [0,1,0,0,0,0|0,1,0]=2 174 B12R1.453 CSC1=CC([N+](=O)[O-])=C(Cl)C=C1 75197 [0,1,0,0,0,0|1,1,1]=4 175 B12R1.453 N#CC1=CC(C(=O)Cl)=C(Cl)C=C1 AB8868 [0,1,0,0,0,0|3,0,0]=4 176 B12R1.453 O=C(O)C1=C(Br)C=CC(CBr)=C1 W11383 [0,1,0,0,0,0|2,0,0]=3 177 B12R1.453 O=C(O)C1=C(F)C=CC(CBr)=C1 F21176 [0,1,0,0,0,0|2,0,0]=3 178 B12R2.43 COC1=CC(C2CC2)=CC=C1 AC8808 [0,0,0,1,0,0|2,0,1]=4 179 B10R1.31 CCC1=CC=C(C(=O)O)O1 AT17158 [0,0,0,0,1,0|2,0,0]=3 180 B10R1.31 CCC1=CSC(C(=O)O)=N1 C71580 [0,0,0,0,1,0|3,0,0]=4 181 B10R1.31 CCC1=NNC(C(=O)O)=C1 W16046 [0,0,0,0,1,0|3,0,0]=4 182 B10R1.31 CCN1C=NC(C(=O)O)=C1 79486 [0,0,0,0,1,0|3,0,0]=4 183 B10R1.31 CNC1=NC=C(C(=O)O)O1 AT18685 [0,0,0,0,1,0|3,0,0]=4 184 B10R1.31 COC1=CC=C(C(=O)O)O1 AT17094 [0,0,0,0,1,0|1,0,0]=2 185 B10R1.31 COC1=NC(C(=O)O)=CO1 AT18455 [0,0,0,0,1,0|2,0,0]=3 186 B10R1.31 COC1=NOC(C(N)=O)=C1 W11044 [0,0,0,0,1,0|3,0,0]=4 187 B10R1.31 CSC1=CC(C(=O)O)=CO1 AT17277 [0,0,0,0,1,0|1,1,0]=3 188 B10R1.31 CSC1=CC=C(C(=O)O)O1 AT17280 [0,0,0,0,1,0|1,1,0]=3 189 B10R1.31 NCC1=CC=C(C(=O)O)O1 AT17184 [0,0,0,0,1,0|3,0,0]=4 190 B10R1.31 NCC1=CC=C(C(=O)O)S1 AT24853 [0,0,0,0,1,0|3,0,0]=4 191 B10R1.31 O=C(O)C1=COC(CO)=C1 AT17501 [0,0,0,0,1,0|3,0,0]=4 192 B10R1.31 O=CC1=CC(C(=O)O)=CS1 AT16777 [0,0,0,0,1,0|3,0,0]=4 193 B10R1.31 O=CC1=CNC(C(=O)O)=C1 I11670 [0,0,0,0,1,0|3,0,0]=4 194 B10R1.31 O=CC1=CSC(C(=O)O)=C1 AT16396 [0,0,0,0,1,0|3,0,0]=4 195 B10R1.39 CCC1=C(C(=O)O)C=CO1 AT17500 [0,0,0,0,1,0|2,0,0]=3 196 B10R1.39 CCC1=C(C(=O)O)C=NO1 71632 [0,0,0,0,1,0|3,0,0]=4 197 B10R1.39 CCC1=C(C(=O)O)N=CO1 AT12735 [0,0,0,0,1,0|3,0,0]=4 198 B10R1.39 CCC1=C(C(=O)O)N=CS1 81006 [0,0,0,0,1,0|3,0,0]=4 199 B10R1.39 CCC1=C(C(=O)O)NC=N1 AT15438 [0,0,0,0,1,0|3,0,0]=4 200 B10R1.39 CCC1=C(C(=O)O)SC=C1 AT16411 [0,0,0,0,1,0|2,0,0]=3 201 B10R1.39 CSC1=C(C(=O)O)SC=C1 AT16424 [0,0,0,0,1,0|1,1,0]=3 202 B10R1.39 O=CC1=C(C(=O)O)C=CO1 AT17493 [0,0,0,0,1,0|3,0,0]=4 203 B12R1.438 CC(=O)NC1=CC(C=O)=CC=C1 A11079 [0,0,0,0,0,1|3,0,0]=4 204 B12R1.438 CC(=O)NC1=CC(CO)=CC=C1 D85913 [0,0,0,0,0,1|3,0,0]=4 205 B12R1.438 COC1=CC(CC(=N)N)=CC=C1 F13308 [0,0,0,0,0,1|2,0,0]=3 206 B12R1.438 COC1=CC(C[C@H](C)N)=CC=C1 N10869 [0,0,0,0,0,1|2,0,1]=4 207 B12R1.438 COC1=CC=CC(NC(C)=S)=C1 81291 [0,0,0,0,0,1|1,1,0]=3 208 B12R1.438 COC1=NC=CC(CC(=O)O)=C1 AT18202 [0,0,0,0,0,1|1,0,0]=2 209 B9R1.2 CC1=CC(C=O)=NC=N1 AT18315 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.2 COC1=CC(O)=NC=C1 F17762 [2,0,0,0,0,0|1,0,0]=3 211 B9R1.2 COC1=CN=CC(N)=C1 P11509 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.2 NC1=NC=CC(C=O)=C1 O10660 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.2 O=CC1=CC(I)=CN=C1 H10413 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.6 O=C(Cl)C1=CC=NC=C1 D78267 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.6 O=C([O-])C1=NC=CC=C1 T71798 [2,0,0,0,0,0|1,0,1]=4 216 B9R1.6 O=[13C](O)C1=CC=CC=C1 F13987 [2,0,0,0,0,0|0,0,0]=2 217 B9R1.6 [2H]C(=C)C1=CC=CC=C1 D97969 [2,0,0,0,0,0|2,0,0]=4 218 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 69909 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.21 CC1=C(C)C=C([C@H](C)O)C=C1 44393 [1,1,0,0,0,0|1,0,1]=4 220 B11R1.21 CC1=C(O)C=CC(C(=O)O)=N1 E71908 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.21 CC1=NC(C(=O)O)=CNC1=O 57159 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.21 NC(=O)C1=CC(F)=C(O)C=C1 D96313 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.21 NC(=O)C1=CC(N)=C(O)C=C1 D87298 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.21 NC(=O)C1=CC(O)=C(I)C=C1 D77904 [1,1,0,0,0,0|1,0,0]=3 225 B11R1.21 NC1=C(Cl)C=NC(C(=O)O)=C1 AT24933 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.21 O=C(Cl)C1=CC(F)=C(Br)C=C1 76037 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.21 O=C(O)C1=CC(I)=C(O)N=C1 AC6008 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.21 O=C(O)C1=CN=C(Br)C(Cl)=C1 AT10807 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.21 O=C(O)C1=CN=C(Br)C(O)=C1 AT21523 [1,1,0,0,0,0|1,0,0]=3 230 B11R1.21 O=C(O)C1=NC(O)=C(F)C=C1 F51217 [1,1,0,0,0,0|1,0,0]=3 231 B11R1.23 C#C[C@@H](O)C1=CC(C)=CC=C1 AC5841 [1,1,0,0,0,0|1,0,1]=4 232 B11R1.23 CC1=CC(\C(C)=N\O)=NC=C1 D87307 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.23 CC1=CC=CC(C(=O)CO)=C1 AC3231 [1,1,0,0,0,0|0,0,0]=2 234 B11R1.23 CC1=CC=CC([C@@H](O)CN)=C1 C78286 [1,1,0,0,0,0|1,0,1]=4 235 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 34175 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.23 CC[C@H](O)C1=CC(C)=CC=C1 N14416 [1,1,0,0,0,0|1,0,1]=4 237 B11R1.23 CNC(=O)C1=NC=CC(O)=C1 N13116 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.23 COC(=O)C1=CC(N)=NC=C1 W17825 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.23 COC(=O)C1=CC(S)=NC=C1 F18003 [1,1,0,0,0,0|1,1,0]=4 240 B11R1.23 COC(=O)C1=CC=CC(I)=N1 C16472 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.23 COC(=O)C1=NC=CC(O)=C1 AC3417 [1,1,0,0,0,0|1,0,0]=3 242 B11R1.23 NCC(=O)C1=CC(O)=CC=C1 C77908 [1,1,0,0,0,0|1,0,0]=3 243 B11R1.23 O=C(CO)C1=CC=CC(Br)=C1 AC6088 [1,1,0,0,0,0|1,0,0]=3 244 B11R1.23 O=C(CO)C1=CC=CC(F)=C1 AC5675 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.23 O=CC(=O)C1=CC=CC(Cl)=C1 AB10250 [1,1,0,0,0,0|1,0,1]=4 246 B11R1.23 O\N=C(/Cl)C1=CC=CC(Cl)=C1 65906 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.74 CC(=O)C1=CC(C)=NC(C)=C1 90618 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.74 CC(=O)C1=CC(F)=CC(O)=C1 C90880 [1,1,0,0,0,0|1,0,0]=3 249 B11R1.74 CC1=CC(Br)=NC(C(=O)O)=C1 H11547 [1,1,0,0,0,0|1,0,0]=3 250 B11R1.74 CC1=CC(C(=O)O)=CC(N)=N1 39217 [1,1,0,0,0,0|1,0,0]=3 251 B11R1.74 CC1=CC(C(N)=O)=CC(C)=N1 F12421 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.74 CC1=CC(I)=CC([N+](=O)[O-])=C1 36223 [1,1,0,0,0,0|1,0,1]=4 253 B11R1.74 CC1=NC(O)=CC(C(=O)O)=N1 W10241 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.74 NC(=O)C1=CC(Br)=CC(Cl)=C1 C13391 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.74 NC(=O)C1=CC(O)=NC(O)=C1 AC7631 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.74 O=C(Cl)C1=CC(Br)=CC(Cl)=C1 75770 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.159 C=C(C)C1=C(N)C(C)=CC=C1 F18673 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.159 CC(=O)C1=C(C)C(N)=CC=C1 O10268 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.159 CC(=O)C1=C(C)C(O)=CC=C1 C76227 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1I 94553 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.159 CC(=O)C1=CC=CC(O)=C1F AT11003 [1,1,0,0,0,0|1,0,0]=3 262 B11R1.159 CC1=C(C(N)=O)C=CC=C1N 93043 [1,1,0,0,0,0|2,0,0]=4 263 B11R1.159 CC1=C(O)C(B(O)O)=CC=C1 D71388 [1,1,0,0,0,0|1,0,1]=4 264 B11R1.159 CC1=C(O)C=CN=C1C(=O)O C11063 [1,1,0,0,0,0|1,0,0]=3 265 B11R1.159 CC1=C(O)N=CN=C1C(=O)O F52192 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.159 CC1=CC=CC(C(N)=O)=C1Cl D87582 [1,1,0,0,0,0|1,0,0]=3 267 B11R1.159 CC1=CC=CC(C(N)=O)=C1O AC4144 [1,1,0,0,0,0|1,0,0]=3 268 B11R1.159 CC1=CN=CC(C(=O)O)=C1O AT13143 [1,1,0,0,0,0|1,0,0]=3 269 B11R1.159 CC1=NC=CC(C(=O)O)=C1C D87767 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.159 CN1C=NC=C(C(=O)O)C1=O AT13877 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.159 NC(=O)C1=C(N)C(N)=CC=C1 F12396 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.159 NC(=O)C1=CC=CC(S)=C1Cl 92372 [1,1,0,0,0,0|1,1,0]=4 273 B11R1.159 NC1=C(C(=O)O)C=CC=C1O T72518 [1,1,0,0,0,0|0,0,0]=2 274 B11R1.159 NC1=C(C(=O)O)C=CN=C1Br C11136 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.159 O=C(O)C1=CC=CC(I)=C1O AT10718 [1,1,0,0,0,0|1,0,0]=3 276 B11R1.167 CC(=O)C1=C(C)C=CC(Cl)=C1 F52542 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.167 CC(=O)C1=C(N)C=CC(O)=C1 32344 [1,1,0,0,0,0|1,0,0]=3 278 B11R1.167 CC(=O)C1=CC(C)=CN=C1F N13305 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.167 CC1=C(B(O)O)C=C(O)C=C1 D71410 [1,1,0,0,0,0|1,0,1]=4 280 B11R1.167 CC1=C(C(=O)Cl)C=C(Br)C=C1 C15328 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.167 CC1=C(C(=O)Cl)C=C(Cl)C=C1 F52326 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.167 CC1=C(C(N)=O)C=C(Cl)C=C1 F52323 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.167 CC1=CC(B(O)O)=C(Br)C=C1 D71825 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.167 CC1=CN=C(Br)C(C(=O)O)=C1 C16185 [1,1,0,0,0,0|1,0,0]=3 285 B11R1.167 CC1=NC(C(=O)O)=C(F)C=C1 FD10677 [1,1,0,0,0,0|1,0,0]=3 286 B11R1.167 NC1=CC(C(=O)O)=C(F)C=N1 97786 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.167 NC1=CN=C(F)C=C1C(=O)O W19653 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.167 O=C(Cl)C1=C(F)C=CC(Br)=C1 F17494 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.167 O=C(Cl)C1=C(I)C=CC(Br)=C1 AC5820 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.167 O=C(O)C1=C(S)C=CC(Br)=C1 S10260 [1,1,0,0,0,0|1,0,0]=3 291 B11R1.167 O=C(O)C1=C(S)C=CC(Cl)=C1 AT20778 [1,1,0,0,0,0|1,0,0]=3 292 B11R1.167 O=C(O)C1=CC(I)=CN=C1F 98093 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.9 COC1=CC(C#N)=CC(C)=C1 88823 [1,1,0,0,0,0|1,0,1]=4 294 B11R1.9 COC1=CC(C)=CC(CBr)=C1 C90360 [1,1,0,0,0,0|1,0,1]=4 295 B11R1.9 COC1=CC(CBr)=CC(Cl)=C1 F31067 [1,1,0,0,0,0|1,0,1]=4 296 B11R1.9 COC1=CC(CO)=CC(Cl)=C1 F13565 [1,1,0,0,0,0|0,0,1]=3 297 B11R1.9 COC1=CC(N)=CC(CO)=C1 C72079 [1,1,0,0,0,0|0,0,1]=3 298 B11R1.9 COC1=NC(C=O)=CC(Cl)=N1 97024 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.9 O=CC1=CC(CF)=CC(F)=C1 94379 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.9 O=CC1=CC(O)=CC(C=O)=C1 P17854 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.189 CCCC1=CC=CC(OC)=C1 AC9509 [1,1,0,0,0,0|1,0,1]=4 302 B11R1.189 CCOC1=CC(C=O)=CN=C1 N12988 [1,1,0,0,0,0|1,0,0]=3 303 B11R1.189 CCOC1=CC(C=O)=NC=C1 C15039 [1,1,0,0,0,0|1,0,0]=3 304 B11R1.189 CCOC1=CC(CN)=CC=C1 N12140 [1,1,0,0,0,0|1,0,1]=4 305 B11R1.189 CCOC1=NC=CC(C=O)=C1 AT18194 [1,1,0,0,0,0|1,0,0]=3 306 B11R1.189 COCC1=CC(C#N)=CC=C1 O10889 [1,1,0,0,0,0|1,0,1]=4 307 B11R1.189 COCC1=CC=CC(OC)=C1 N11528 [1,1,0,0,0,0|0,0,1]=3 308 B11R1.267 CCC1=CC=CC(OC)=C1F 57989 [1,1,0,0,0,0|1,0,1]=4 309 B11R1.267 CCC1=CC=CC(OC)=C1O O10769 [1,1,0,0,0,0|1,0,1]=4 310 B11R1.267 COC1=C(C)C(C#N)=CC=C1 FD10708 [1,1,0,0,0,0|1,0,1]=4 311 B11R1.267 COC1=C(Cl)C(CO)=CC=C1 N12987 [1,1,0,0,0,0|0,0,1]=3 312 B11R1.267 COC1=C(Cl)C(CO)=CC=N1 E72782 [1,1,0,0,0,0|1,0,1]=4 313 B11R1.267 COC1=C(F)C(C=O)=CC=N1 AT18197 [1,1,0,0,0,0|1,0,0]=3 314 B11R1.267 COC1=CC=CC(CBr)=C1Cl C90795 [1,1,0,0,0,0|1,0,1]=4 315 B11R1.267 COC1=CC=CC(OC)=C1S AT20891 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.267 O=CC1=C(Br)C(CO)=CC=C1 I11841 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.280 C=CC1=C(Cl)C=CC(OC)=C1 D85759 [1,1,0,0,0,0|1,0,0]=3 318 B11R1.280 C=CC1=C(N)C=CC(OC)=C1 78403 [1,1,0,0,0,0|1,0,0]=3 319 B11R1.280 CCC1=C(F)C=CC(C=O)=C1 97122 [1,1,0,0,0,0|1,0,0]=3 320 B11R1.280 CCC1=CC(OC)=C(F)C=C1 57977 [1,1,0,0,0,0|1,0,1]=4 321 B11R1.280 COC1=C(Br)C=CC(C=O)=N1 D70757 [1,1,0,0,0,0|1,0,0]=3 322 B11R1.280 COC1=C(F)C=CC(CN)=C1 CK2401 [1,1,0,0,0,0|1,0,1]=4 323 B11R1.280 COC1=C(I)C=CC(CO)=C1 97841 [1,1,0,0,0,0|0,0,1]=3 324 B11R1.280 COC1=C(S)C=CC(C=O)=C1 AT20890 [1,1,0,0,0,0|0,0,0]=2 325 B11R1.280 COC1=CC(C=O)=C(I)C=C1 N10139 [1,1,0,0,0,0|0,0,0]=2 326 B11R1.280 COC1=CC(C=O)=C(N)C=C1 F15852 [1,1,0,0,0,0|0,0,0]=2 327 B11R1.280 COC1=CC(CN)=C(F)C=C1 Y10771 [1,1,0,0,0,0|1,0,1]=4 328 B11R1.280 COC1=CC(CO)=CN=C1Cl 91755 [1,1,0,0,0,0|1,0,1]=4 329 B11R1.280 COC1=NC(CO)=C(Cl)C=C1 C14397 [1,1,0,0,0,0|1,0,1]=4 330 B11R1.280 COC1=[N+]([O-])C=CC(CO)=C1 C92064 [1,1,0,0,0,0|1,0,1]=4 331 B11R1.280 N#CC1=C(N)C=CC(C=O)=C1 AT22957 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.50 CSC1=CC(C(=O)O)=C(C)O1 AT17304 [0,1,0,0,1,0|1,1,0]=4 333 B11R1.50 CSC1=CC(C)=C(C(=O)O)O1 AT17283 [0,1,0,0,1,0|1,1,0]=4 334 B11R1.124 CCCC1=CC=C(C(=O)O)S1 AT16415 [0,1,0,0,1,0|2,0,0]=4 335 B11R1.124 CCOC1=CC=C(C(=O)O)S1 AC3902 [0,1,0,0,1,0|1,0,0]=3 336 B11R1.124 COCC1=CC=C(C(=O)O)O1 78079 [0,1,0,0,1,0|1,0,0]=3 337 B11R1.124 COCC1=NC(C(=O)O)=CS1 C77639 [0,1,0,0,1,0|2,0,0]=4 338 B11R1.124 O=C(O)C1=CC=C(CCO)S1 F19738 [0,1,0,0,1,0|2,0,0]=4 339 B11R1.175 CC(=O)C1=CC=C(C(=O)O)O1 AT17166 [0,1,0,0,1,0|2,0,0]=4 340 B11R1.175 CC(C)C1=CC=C(C(=O)O)O1 81689 [0,1,0,0,1,0|2,0,0]=4 341 B11R1.175 CC(C)C1=CC=C(C(=O)O)S1 AT16423 [0,1,0,0,1,0|2,0,0]=4 342 B11R1.473 COC1=NOC(C(=O)O)=C1C P16882 [0,1,0,0,1,0|2,0,0]=4 343 B11R1.59 CCC1=C(C(=O)OC)C=CN1 F17904 [0,1,0,0,1,0|2,0,0]=4 344 B11R1.178 CC(C)C1=C(C(=O)O)C=CO1 AT17510 [0,1,0,0,1,0|2,0,0]=4 345 B11R1.178 CC(C)C1=C(C(=O)O)OC=C1 AT17168 [0,1,0,0,1,0|2,0,0]=4 346 B11R1.178 CC(C)C1=C(C(=O)O)SC=C1 AT16418 [0,1,0,0,1,0|2,0,0]=4 347 B11R1.193 COCC1=C(C(=O)O)OC=C1 AT17181 [0,1,0,0,1,0|1,0,0]=3 348 B11R1.471 COC1=C(C(=O)O)N(C)N=C1 C91428 [0,1,0,0,1,0|2,0,0]=4 349 B13R1.52 COC1=C(Br)C=CC(CC(=O)O)=C1 98291 [0,1,0,0,0,1|0,0,0]=2 350 B13R1.52 COC1=C(Cl)C=CC(CC(=O)O)=C1 AT23094 [0,1,0,0,0,1|0,0,0]=2 351 B13R1.56 COC1=CC(CC(=O)O)=CC(Br)=C1 D96287 [0,1,0,0,0,1|0,0,0]=2 352 B13R1.80 COC1=CC=CC(C[S@@](C)(=N)=O)=C1 E72407 [0,1,0,0,0,1|2,0,0]=4 353 B13R1.81 C=CC(=O)NC1=CC(OC)=CC=C1 N11725 [0,1,0,0,0,1|1,0,0]=3 354 B13R1.81 COC1=CC(C[C@H](N)CO)=CC=C1 N11308 [0,1,0,0,0,1|1,0,1]=4 355 B13R1.81 COC1=CC=CC(O\C(Cl)=C/Cl)=C1 95278 [0,1,0,0,0,1|2,0,0]=4 356 B13R1.97 CCC1=CC(CC(=O)O)=C(I)C=C1 C13400 [0,1,0,0,0,1|1,0,0]=3 357 B13R1.97 COC1=CC(CC(=O)O)=C(Br)C=C1 D96276 [0,1,0,0,0,1|0,0,0]=2 358 B13R1.641 COC1=CC=CC(NC(C)=O)=C1C F18126 [0,1,0,0,0,1|1,0,0]=3 359 B13R1.642 COC1=CC(C(N)C(C)O)=CC=C1 N15596 [0,1,0,0,0,1|1,0,1]=4 360 B13R1.642 COC1=CC([C@@H](N)C(C)O)=CC=C1 N15597 [0,1,0,0,0,1|1,0,1]=4 361 B13R1.642 COC1=CC([C@@H](N)[C@@H](C)O)=CC=C1 N15599 [0,1,0,0,0,1|1,0,1]=4 362 B13R1.642 COC1=CC([C@@H](N)[C@@H](C)O)=CC=C1 N15600 [0,1,0,0,0,1|1,0,1]=4 363 B13R1.642 COC1=CC([C@@H](N)[C@H](C)O)=CC=C1 N15598 [0,1,0,0,0,1|1,0,1]=4 364 B13R1.642 COC1=CC=CC([C@@H](F)C(=O)O)=C1 98552 [0,1,0,0,0,1|0,0,0]=2 365 B13R1.642 COC1=CC=CC([C@@H](N)C(C)=O)=C1 N15595 [0,1,0,0,0,1|1,0,0]=3 366 B13R1.642 CSC1=CC([C@@H](N)C(C)=O)=CC=C1 N15602 [0,1,0,0,0,1|1,1,0]=4 367 B13R1.31 CCOC1=CC(C(=O)O)=CC(Cl)=N1 F50768 [0,2,0,0,0,0|1,0,0]=3 368 B13R1.57 COC1=CC(N)=CC(S(C)(=O)=O)=C1 C13365 [0,2,0,0,0,0|1,0,1]=4 369 B13R1.126 CC1=CC(B(O)O)=CC(C(=O)O)=C1 D71591 [0,2,0,0,0,0|2,0,0]=4 370 B13R1.298 COC1=C(N)C(C)=CC([N+](=O)[O-])=C1 AC1624 [0,2,0,0,0,0|1,0,1]=4 371 B13R1.298 COC1=CC([N+](=O)[O-])=CC(F)=C1F C14430 [0,2,0,0,0,0|1,0,1]=4 372 B13R1.299 COC1=C(N)C(C(=O)O)=CC(Cl)=C1 D78732 [0,2,0,0,0,0|0,0,0]=2 373 B13R1.299 COC1=C(O)C([N+](=O)[O-])=CC(Br)=C1 F19556 [0,2,0,0,0,0|1,0,1]=4 374 B13R1.313 NCC1=CC(CN)=CC(C(=O)O)=C1 C14102 [0,2,0,0,0,0|2,0,0]=4 375 B13R1.313 O=C(O)C1=CC(CO)=CC(CO)=C1 N13168 [0,2,0,0,0,0|2,0,0]=4 376 B13R1.314 CCC(=O)C1=CC(Cl)=CC(OC)=C1 N14093 [0,2,0,0,0,0|1,0,0]=3 377 B13R1.314 COC(=O)C1=CC(Br)=CC(C#N)=C1 32038 [0,2,0,0,0,0|2,0,0]=4 378 B13R1.314 COC(=O)C1=CC(CBr)=CC(F)=C1 W10896 [0,2,0,0,0,0|2,0,0]=4 379 B13R1.314 COC(=O)C1=CC(Cl)=CC(OC)=C1 F14182 [0,2,0,0,0,0|0,0,0]=2 380 B13R1.314 COC(=O)C1=CC(F)=CC(OC)=C1 93255 [0,2,0,0,0,0|0,0,0]=2 381 B13R1.314 COC(=O)C1=CC(I)=CC(OC)=C1 52944 [0,2,0,0,0,0|0,0,0]=2 382 B13R1.314 COC1=CC([C@@H](N)CO)=CC(F)=C1 E72745 [0,2,0,0,0,0|1,0,1]=4 383 B13R1.437 COC1=CC(Br)=C(C)C([N+](=O)[O-])=C1 F18061 [0,2,0,0,0,0|1,0,1]=4 384 B13R1.437 COC1=CC(Br)=C(Cl)C([N+](=O)[O-])=C1 96228 [0,2,0,0,0,0|1,0,1]=4 385 B13R1.437 COC1=CC(Br)=C(N)C(C(=O)O)=C1 34904 [0,2,0,0,0,0|0,0,0]=2 386 B13R1.437 COC1=CC(C(=O)O)=C(O)C(N)=C1 AC3346 [0,2,0,0,0,0|0,0,0]=2 387 B13R1.437 COC1=CC([N+](=O)[O-])=C(C)C(C)=C1 N10020 [0,2,0,0,0,0|1,0,1]=4 388 B13R1.437 COC1=CC([N+](=O)[O-])=C(C)C(N)=C1 76304 [0,2,0,0,0,0|1,0,1]=4 389 B13R1.437 COC1=CC([N+](=O)[O-])=C(F)C(C)=C1 98256 [0,2,0,0,0,0|1,0,1]=4 390 B13R1.437 N#CC1=CC(Br)=C(Cl)C(C(=O)O)=C1 C90939 [0,2,0,0,0,0|2,0,0]=4 391 B13R1.13 CC(=O)C1=C(Br)C=CC(N(C)C)=C1 AC5522 [0,2,0,0,0,0|2,0,0]=4 392 B13R1.13 CC(C)C1=C(Br)C=CC(C(=O)O)=C1 W19185 [0,2,0,0,0,0|1,0,0]=3 393 B13R1.13 CC(C)C1=CC(C(=O)O)=C(O)C=C1 AC7664 [0,2,0,0,0,0|1,0,0]=3 394 B13R1.13 CC(C)N1C=C(C(=O)O)C=CC1=O AT13797 [0,2,0,0,0,0|2,0,0]=4 395 B13R1.13 CC1=C(C(=O)O)C=C(B(O)O)C=C1 D71489 [0,2,0,0,0,0|2,0,0]=4 396 B13R1.13 O=C(O)C1=C(F)C=CC([S@](=O)O)=C1 C12533 [0,2,0,0,0,0|1,1,0]=4 397 B13R1.13 O=C(O)C1=CC(B(O)O)=C(Br)C=C1 D71850 [0,2,0,0,0,0|2,0,0]=4 398 B13R1.13 O=C(O)C1=CC(C(=O)O)=C(S)C=C1 FD10689 [0,2,0,0,0,0|2,0,0]=4 399 B13R1.49 CCC1=C(O)C=CC(C(=O)OC)=C1 71709 [0,2,0,0,0,0|1,0,0]=3 400 B13R1.49 COC(=O)C1=CC(C=O)=C(C)C=C1 CL9398 [0,2,0,0,0,0|2,0,0]=4 401 B13R1.49 COC(=O)C1=CC(CCl)=C(Cl)C=C1 76651 [0,2,0,0,0,0|2,0,0]=4 402 B13R1.49 COC(=O)C1=CC(CN)=C(C)C=C1 E72339 [0,2,0,0,0,0|2,0,0]=4 403 B13R1.49 COC(=O)C1=NC(OC)=C(C)C=C1 81832 [0,2,0,0,0,0|1,0,0]=3 404 B13R1.49 COC1=C(C)C=CC(\C(N)=N\O)=C1 93024 [0,2,0,0,0,0|1,0,0]=3 405 B13R1.50 COC1=C(F)C=CC(S(=O)(=O)Cl)=C1 W16362 [0,2,0,0,0,0|1,0,1]=4 406 B13R1.354 CCNC1=C(F)C=CC(C(N)=O)=C1 72299 [0,2,0,0,0,0|2,0,0]=4 407 B13R1.354 CCOC1=C(Br)C=CC(C(=O)O)=C1 D85821 [0,2,0,0,0,0|0,0,0]=2 408 B13R1.354 CCOC1=C(C)C=CC(B(O)O)=C1 I12136 [0,2,0,0,0,0|1,0,1]=4 409 B13R1.354 CCOC1=C(N)C=CC(C(N)=O)=C1 W10061 [0,2,0,0,0,0|1,0,0]=3 410 B13R1.354 O=C(O)C1=CN(CCO)C(=O)C=C1 AT19292 [0,2,0,0,0,0|2,0,0]=4 411 B13R1.651 CC1=CC(C)=C(C(=O)O)C=C1C=O 81020 [0,2,0,0,0,0|2,0,0]=4 412 B13R1.651 COC1=C(F)C=C(C)C([N+](=O)[O-])=C1 89270 [0,2,0,0,0,0|1,0,1]=4 413 B13R1.651 COC1=C(F)C=C(N)C(C(C)=O)=C1 34091 [0,2,0,0,0,0|1,0,0]=3 414 B13R1.651 COC1=CC([N+](=O)[O-])=C(Cl)C=C1N W11197 [0,2,0,0,0,0|1,0,1]=4 415 B13R1.651 O=CC1=CC(C(=O)O)=C(F)C=C1F C90889 [0,2,0,0,0,0|2,0,0]=4 416 B13R1.3091 CCC1=C(OC)C=CC(C(C)=O)=C1 AT10959 [0,2,0,0,0,0|2,0,0]=4 417 B13R1.3230 COC1=C(Cl)C(C(=O)O)=CN=C1F 91700 [0,2,0,0,0,0|1,0,0]=3 418 B13R1.3230 COC1=C(F)C(B(O)O)=CC=C1F D71421 [0,2,0,0,0,0|1,0,1]=4 419 B13R1.345 CC(C)(C)C1=CC(C(=O)O)=CN=C1 F17285 [0,2,0,0,0,0|2,0,0]=4 420 B13R1.345 CC(C)(C)C1=CC=CC(C(=O)O)=N1 AT13152 [0,2,0,0,0,0|2,0,0]=4 421 B13R1.345 CC(C)(F)C1=CC(C(=O)O)=NC=C1 C92367 [0,2,0,0,0,0|2,0,0]=4 422 B13R1.345 CC(C)(F)C1=NC=CC(C(=O)O)=C1 C92384 [0,2,0,0,0,0|2,0,0]=4 423 B13R1.345 CC(C)(O)C1=CC(C(=O)O)=NC=C1 C92365 [0,2,0,0,0,0|2,0,0]=4 424 B13R1.345 CC(F)(F)C1=CC(C(=O)O)=CC=C1 F53138 [0,2,0,0,0,0|1,0,0]=3 425 B13R1.345 CC(F)(F)C1=NC=CC(C(=O)O)=C1 C92370 [0,2,0,0,0,0|2,0,0]=4 426 B13R1.345 CP(C)(=O)C1=CN=CC(C(=O)O)=C1 AT13623 [0,2,0,0,0,0|2,0,0]=4 427 B13R1.543 COC(=O)C1=CC([C@H](C)N)=CC=C1 20350 [0,2,0,0,0,0|1,0,0]=3 428 B13R1.543 COC(=O)C1=CC([C@H](C)N)=CC=C1 F16989 [0,2,0,0,0,0|1,0,0]=3 429 B13R1.543 COC(=O)C1=CC([C@H](C)N)=CC=C1 F53301 [0,2,0,0,0,0|1,0,0]=3 430 B13R1.543 COC(=O)C1=CC([C@H](C)O)=CC=C1 AC7054 [0,2,0,0,0,0|1,0,0]=3 431 B13R1.543 COC(=O)C1=CN=CC(C(=O)[O-])=C1 S11741 [0,2,0,0,0,0|1,0,1]=4 432 B13R1.543 COC(=O)C1=CN=CC([C@H](C)N)=C1 N14648 [0,2,0,0,0,0|2,0,0]=4 433 B13R1.543 COC(=O)C1=NC(N(C)C)=CC=C1 F13913 [0,2,0,0,0,0|2,0,0]=4 434 B13R1.543 COC(=O)C1=NC=NC(C(=O)O)=C1 56687 [0,2,0,0,0,0|2,0,0]=4 435 B13R1.543 CO[C@@H](C)C1=CC(B(O)O)=CC=C1 AT12637 [0,2,0,0,0,0|1,0,1]=4 436 B13R1.543 N[C@@H](CO)C1=CC=CC(C(=O)O)=N1 N14649 [0,2,0,0,0,0|2,0,0]=4 437 B13R1.543 N[C@@H](CO)C1=CC=CC(C(=O)O)=N1 N14650 [0,2,0,0,0,0|2,0,0]=4 438 B13R1.543 O=C(CO)C1=CC=CC([N+](=O)[O-])=C1 AC6690 [0,2,0,0,0,0|2,0,0]=4 439 B13R1.374 CNCC1=CC=CC(C(=O)OC)=C1 C16721 [0,2,0,0,0,0|1,0,0]=3 440 B13R1.374 COC(=O)C1=CC(CCO)=CC=C1 D80387 [0,2,0,0,0,0|1,0,0]=3 441 B13R1.374 COC(=O)C1=CC=CC(C#CBr)=C1 94427 [0,2,0,0,0,0|1,0,1]=4 442 B13R1.374 COCC1=CC([C@@H](N)CO)=CC=C1 Y11228 [0,2,0,0,0,0|1,0,1]=4 443 B13R1.375 COCC1=CC=CC(S(=O)(=O)Cl)=C1 AC8634 [0,2,0,0,0,0|1,0,1]=4 444 B13R1.377 CCOC1=CC=CC([N+](=O)[O-])=C1C F18241 [0,2,0,0,0,0|1,0,1]=4 445 B13R1.377 NCCC1=CC=CC(C(=O)O)=C1O 51331 [0,2,0,0,0,0|1,0,0]=3 446 B13R1.387 CCOC1=CC(C(=O)O)=C(N)C=C1 W15272 [0,2,0,0,0,0|0,0,0]=2 447 B13R1.568 C#CCOC1=CC=CC(C(C)=O)=C1 AT23369 [0,2,0,0,0,0|1,0,0]=3 448 B13R1.568 CCOCC1=CC(B(O)O)=CC=C1 I12250 [0,2,0,0,0,0|1,0,1]=4 449 B13R1.568 CNCCC1=CC=CC(C(=O)O)=C1 CS3246 [0,2,0,0,0,0|1,0,0]=3 450 B13R1.568 CNCCC1=CC=CC(C(=O)O)=C1 CS3249 [0,2,0,0,0,0|1,0,0]=3 451 B13R1.568 NCCOC1=CC=CC([N+](=O)[O-])=C1 31481 [0,2,0,0,0,0|1,0,1]=4 452 B13R1.568 O=C(O)C1=CC(C#CCO)=CC=C1 AT20407 [0,2,0,0,0,0|1,0,0]=3 453 B13R1.568 O=C(O)C1=CC(OCCO)=NC=C1 AT18138 [0,2,0,0,0,0|1,0,0]=3 454 B13R1.568 O=C(O)C1=CC=CC(OCCF)=C1 AT21997 [0,2,0,0,0,0|0,0,0]=2 455 B13R1.82 COC(=O)C1=C(F)C(OC)=CC=N1 D80102 [0,2,0,0,0,0|1,0,0]=3 456 B13R1.82 COC(=O)C1=CC=CC(OC)=C1Br 97421 [0,2,0,0,0,0|0,0,0]=2 457 B13R1.460 CCCC(=O)C1=CC(OC)=CC=C1 N13991 [0,2,0,0,0,0|1,0,0]=3 458 B13R1.460 CCOC(=O)C1=CC(CN)=CC=C1 S11364 [0,2,0,0,0,0|2,0,0]=4 459 B13R1.460 CCOC(=O)C1=NN=CC(OC)=C1 F30534 [0,2,0,0,0,0|2,0,0]=4 460 B13R1.460 COC[C@H](N)C1=CC=CC(OC)=C1 N12800 [0,2,0,0,0,0|1,0,1]=4 461 B13R1.2431 COC(=O)C1=C(Cl)C=CC(OC)=N1 AT10099 [0,2,0,0,0,0|1,0,0]=3 462 B13R1.2431 COC(=O)C1=C(O)C=CC(CO)=C1 D75890 [0,2,0,0,0,0|2,0,0]=4 463 B13R1.2431 [C-]#[N+]C1=CC(C(=O)OC)=C(C)C=C1 74714 [0,2,0,0,0,0|1,0,1]=4 464 B13R1.98 COC1=CC(S(=O)(=O)Cl)=C(Br)C=C1 AT12647 [0,2,0,0,0,0|1,0,1]=4 465 B13R1.98 COC1=CC(S(=O)(=O)Cl)=C(I)C=C1 AT12656 [0,2,0,0,0,0|1,0,1]=4 466 B13R1.98 COC1=CC(S(N)(=O)=O)=C(Cl)C=C1 F53506 [0,2,0,0,0,0|1,0,1]=4 467 B13R1.98 COC1=CC(S(N)(=O)=O)=C(N)C=C1 P16643 [0,2,0,0,0,0|1,0,1]=4 468 B13R1.645 COC1=CC=CC(S(=O)(=O)Cl)=C1F AT12643 [0,2,0,0,0,0|1,0,1]=4 469 B13R1.2137 COC1=C(C(=O)O)C=CC=C1C#N C91680 [0,2,0,0,0,0|2,0,0]=4 470 B13R1.2137 COC1=CC=CC(C(N)=S)=C1OC A10499 [0,2,0,0,0,0|1,1,0]=4 471 B13R1.3097 COC1=C(C)C(C(=O)O)=C(Br)C=C1 F52180 [0,2,0,0,0,0|0,0,0]=2 472 B13R1.3097 COC1=C(C)C(C(=O)O)=C(O)C=C1 D76424 [0,2,0,0,0,0|0,0,0]=2 473 B13R1.3097 COC1=C(Cl)C(C(=O)O)=C(Br)C=C1 94825 [0,2,0,0,0,0|0,0,0]=2 474 B13R1.3097 COC1=CC=C(Cl)C(C(=O)O)=C1Br 94819 [0,2,0,0,0,0|0,0,0]=2 475 B13R1.3097 N#CC1=CC=C(F)C(C(=O)O)=C1F 95134 [0,2,0,0,0,0|2,0,0]=4 476 B13R1.3097 NCC1=CC=C(Cl)C(C(=O)O)=C1Cl 69746 [0,2,0,0,0,0|2,0,0]=4 477 B13R1.2430 COC1=CC(C(=O)O)=C(C=O)C=C1 AT14868 [0,2,0,0,0,0|0,0,0]=2 478 B13R1.2430 COC1=CC(C(N)=S)=C(OC)C=C1 A10501 [0,2,0,0,0,0|1,1,0]=4 479 B13R1.2430 COC1=CC([N+](=O)[O-])=C(CO)C=C1 F15886 [0,2,0,0,0,0|1,0,1]=4 480 B13R1.2430 N#CC1=CC(C(=O)O)=C(C=O)C=C1 94690 [0,2,0,0,0,0|2,0,0]=4 481 B11R1.17 CO\C=C\C1=CC=CN=C1Br D85678 [0,0,1,1,0,0|2,0,0]=4 482 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 O10854 [0,0,1,1,0,0|1,0,1]=4 483 B13R2.581 COC1=C2N=C(N)NC2=CC=C1 AC7968 [0,0,0,1,0,1|2,0,0]=4 484 B13R2.581 COC1=CC=CC2=C1SC(Cl)=N2 C11224 [0,0,0,1,0,1|1,1,0]=4 485 B13R2.581 COC1=CC=NC2=C1CC(=O)N2 D96676 [0,0,0,1,0,1|2,0,0]=4 486 B13R2.2121 COC1=CC2=C(C=C1)C=C(I)S2 C12034 [0,0,0,1,0,1|2,0,0]=4 487 B13R2.2121 COC1=CC2=C(C=C1)OC(C)=N2 AC6374 [0,0,0,1,0,1|1,0,0]=3 488 B13R2.2121 COC1=CC2=C(C=C1)SC(Br)=N2 S10142 [0,0,0,1,0,1|1,1,0]=4 489 B13R2.2121 N#CC1=CC2=C(C=C1)OC(=O)N2 C15253 [0,0,0,1,0,1|2,0,0]=4 490 B13R2.430 CC(=O)C1=CC2=C(C=C1)CNC2 F19658 [0,1,0,1,0,0|2,0,0]=4 491 B13R2.430 CC(=O)C1=CC2=NON=C2C=C1 92484 [0,1,0,1,0,0|2,0,0]=4 492 B13R2.430 C[C@H](O)C1=CC2=C(C=C1)CCO2 92507 [0,1,0,1,0,0|1,0,1]=4 493 B13R2.430 NC(=O)C1=CC2=C(C=C1)CCN2 F18619 [0,1,0,1,0,0|2,0,0]=4 494 B13R2.430 O=C(Cl)C1=CC2=C(C=CO2)C=C1 F30696 [0,1,0,1,0,0|1,0,1]=4 495 B13R2.430 O=C(O)C1=CC2=C(C=C1)CNC2 C10540 [0,1,0,1,0,0|1,0,0]=3 496 B13R2.430 O=C(O)C1=CN=C2NCCC2=C1 D78592 [0,1,0,1,0,0|2,0,0]=4 497 B13R2.430 O=C(O)C1=NC=C2OCCC2=C1 D86317 [0,1,0,1,0,0|2,0,0]=4 498 B13R2.429 NC(=O)C1=CC(C2CC2)=CC=C1 AC9036 [0,1,0,1,0,0|2,0,0]=4 499 B13R2.429 O=C(O)C1=CN=CC(C2CC2)=C1 94061 [0,1,0,1,0,0|2,0,0]=4 500 B13R2.429 O=C(O)C1=NC=CC(C2CC2)=C1 94065 [0,1,0,1,0,0|2,0,0]=4 501 B13R2.5569 NC(=O)C1=C2N=COC2=CC=C1 F17766 [0,1,0,1,0,0|1,0,1]=4 502 B13R2.5569 NC(=O)C1=C2OCOC2=CC=C1 AC6635 [0,1,0,1,0,0|1,0,0]=3 503 B13R2.5569 O=C(O)C1=C2COCC2=CC=C1 AT12720 [0,1,0,1,0,0|0,0,0]=2 504 B13R2.5569 O=C(O)C1=C2NCCC2=CC=C1 F18376 [0,1,0,1,0,0|1,0,0]=3 505 B13R2.5569 O=C(O)C1=C2OCOC2=NC=C1 D85483 [0,1,0,1,0,0|1,0,0]=3 506 B13R2.5569 O=C(O)C1=NC=CC2=C1C=CO2 C77574 [0,1,0,1,0,0|1,0,1]=4 507 B13R2.5569 O=[N+]([O-])C1=C2CCOC2=CC=C1 P12945 [0,1,0,1,0,0|1,0,1]=4 508 B13R2.5569 O=[N+]([O-])C1=C2COCC2=CC=C1 AC7483 [0,1,0,1,0,0|1,0,1]=4 509 B13R2.573 COC1=C2CC[C@H](O)C2=CC=C1 N12758 [0,1,0,1,0,0|1,0,1]=4 510 B13R2.573 COC1=C2OC[C@H](N)C2=CC=C1 N10972 [0,1,0,1,0,0|1,0,1]=4 511 B13R2.573 COC1=C2OC[C@H](N)C2=CC=C1 N11233 [0,1,0,1,0,0|1,0,1]=4 512 B13R2.573 COC1=C2OC[C@H](N)C2=CC=C1 N11255 [0,1,0,1,0,0|1,0,1]=4 513 B13R2.573 COC1=CC=CC2=C1COC2=O 76158 [0,1,0,1,0,0|0,0,0]=2 514 B13R2.573 COC1=CC=CC2=C1NNC2=O 32311 [0,1,0,1,0,0|1,0,0]=3 515 B13R2.669 CCC1=CC2=C(C=C1)OCC2=O AC6735 [0,1,0,1,0,0|1,0,0]=3 516 B13R2.669 COC1=CC2=C(C=C1)CC[C@@H]2O N14436 [0,1,0,1,0,0|1,0,1]=4 517 B13R2.669 COC1=CC2=C(C=C1)COB2O D73941 [0,1,0,1,0,0|1,0,1]=4 518 B13R2.669 COC1=CC2=C(C=C1)NN=C2I 75851 [0,1,0,1,0,0|2,0,0]=4 519 B13R2.669 COC1=CC2=C(C=C1)OC=C2Br C74713 [0,1,0,1,0,0|1,0,0]=3 520 B13R2.669 COC1=CC2=C(C=C1)OC=C2C 82257 [0,1,0,1,0,0|1,0,0]=3 521 B13R2.669 COC1=CC2=C(C=C1)OC[C@@H]2N N11234 [0,1,0,1,0,0|1,0,1]=4 522 B13R2.669 COC1=CC2=C(C=C1)OC[C@@H]2N N11257 [0,1,0,1,0,0|1,0,1]=4 523 B13R2.669 COC1=CC2=C(C=C1)OC[C@@H]2N N16527 [0,1,0,1,0,0|1,0,1]=4 524 B13R2.669 COC1=CC2=C(C=C1)ON=C2Cl AT10780 [0,1,0,1,0,0|1,0,0]=3 525 B13R2.669 COC1=CC2=C(C=C1)ONC2=O D78696 [0,1,0,1,0,0|0,0,0]=2 526 B13R2.669 COC1=CC2=C(C=C1)SC=C2C AC9273 [0,1,0,1,0,0|1,1,0]=4 527 B9R1.35 CC1=NSC(C(=O)O)=C1 AT21155 [1,0,0,0,1,0|2,0,0]=4 528 B9R1.35 NC1=CSC(C(=O)O)=C1 AC7156 [1,0,0,0,1,0|2,0,0]=4 529 B9R1.35 O=C(O)C1=CC(O)=CS1 AT16393 [1,0,0,0,1,0|1,0,0]=3 530 B9R1.35 O=C(O)C1=CC=C(Br)N1 O11354 [1,0,0,0,1,0|2,0,0]=4 531 B9R1.35 O=C(O)C1=CC=C(Cl)N1 AT16176 [1,0,0,0,1,0|2,0,0]=4 532 B9R1.41 CC(=O)C1=C(O)C=CS1 AT16388 [1,0,0,0,1,0|2,0,0]=4 533 B9R1.41 CC1=C(C(=O)O)SN=C1 AT21154 [1,0,0,0,1,0|2,0,0]=4 534 B9R1.41 CC1=CNC=C1C(=O)O 71038 [1,0,0,0,1,0|1,0,0]=3 535 B9R1.41 CC1=COC=C1C(=O)O 72440 [1,0,0,0,1,0|1,0,0]=3 536 B9R1.41 CC1=CSC=C1C(=O)Cl AT17065 [1,0,0,0,1,0|2,0,0]=4 537 B9R1.41 NC(=O)C1=C(O)C=CS1 75845 [1,0,0,0,1,0|2,0,0]=4 538 B9R1.41 O=C(O)C1=C(Br)OC=C1 AT17113 [1,0,0,0,1,0|2,0,0]=4 539 B9R1.41 O=C(O)C1=CNC=C1Br AT16233 [1,0,0,0,1,0|2,0,0]=4 540 B9R1.41 O=C(O)C1=CSC=C1Cl AT14983 [1,0,0,0,1,0|2,0,0]=4 541 B9R1.14 COC1=NNC=C1C=O P10701 [1,0,0,0,1,0|2,0,0]=4 542 B9R1.21 CCN1C=CC(C=O)=C1 AT16331 [1,0,0,0,1,0|2,0,0]=4 543 B9R1.21 COC1=CC=C(C=O)O1 AT17092 [1,0,0,0,1,0|1,0,0]=3 544 B9R1.21 COC1=CC=C(C=O)S1 F53534 [1,0,0,0,1,0|1,0,0]=3 545 B9R1.21 COC1=NC(C=O)=CS1 AT15252 [1,0,0,0,1,0|2,0,0]=4 546 B9R1.21 COC1=NSC(C=O)=C1 AT11785 [1,0,0,0,1,0|2,0,0]=4 547 B9R1.21 CSC1=CC=C(C=O)O1 AT17272 [1,0,0,0,1,0|1,1,0]=4 548 B9R1.21 CSC1=CC=C(C=O)S1 T72147 [1,0,0,0,1,0|1,1,0]=4 549 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 N12785 [1,0,0,0,0,1|1,0,0]=3 550 B11R1.157 CC1=CC(CC(=O)O)=NC=N1 C91524 [1,0,0,0,0,1|2,0,0]=4 551 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 AC5601 [1,0,0,0,0,1|1,0,0]=3 552 B11R1.157 N=C(N)NC1=CC=CC(O)=C1 S11159 [1,0,0,0,0,1|2,0,0]=4 553 B11R1.157 NC(=O)NC1=CC(N)=CC=C1 F19865 [1,0,0,0,0,1|2,0,0]=4 554 B11R1.157 NC1=CC=CC(CC(=O)O)=N1 S12253 [1,0,0,0,0,1|2,0,0]=4 555 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 N10485 [1,0,0,0,0,1|2,0,0]=4 556 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 Y10709 [1,0,0,0,0,1|2,0,0]=4 557 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 AT23257 [1,0,0,0,0,1|2,0,0]=4 558 B11R1.3 CCC1=NC=C(C(C)=O)C=C1 P12273 [0,0,0,0,1,1|2,0,0]=4 559 B11R1.3 CNC1=CN=C(C(=O)O)C=C1 AT13629 [0,0,0,0,1,1|1,0,0]=3 560 B11R1.3 CNC1=NN=C(C(=O)O)C=C1 AC2109 [0,0,0,0,1,1|2,0,0]=4 561 B11R1.3 COC1=CN=C(B(O)O)C=C1 64590 [0,0,0,0,1,1|1,0,1]=4 562 B11R1.3 COC1=CN=C(C(C)=O)C=C1 P10973 [0,0,0,0,1,1|1,0,0]=3 563 B11R1.3 COC1=CN=C(C(N)=O)C=C1 D74451 [0,0,0,0,1,1|1,0,0]=3 564 B11R1.3 COC1=CN=C([N+](=O)[O-])C=C1 N10328 [0,0,0,0,1,1|1,0,1]=4 565 B11R1.3 N#[N+]C1=CC=C(C(=O)O)C=C1 A11547 [0,0,0,0,1,1|2,0,0]=4 566 B11R1.3 O=CC1=CN=C(C(=O)O)C=C1 N13056 [0,0,0,0,1,1|2,0,0]=4 567 B11R1.3 [2H]C(=O)C1=CC=C(OC)C=C1 D98577 [0,0,0,0,1,1|1,0,0]=3 568 B13R1.643 O=CC1=CC=CC(CCC(=O)O)=C1 F10937 [0,0,0,0,0,2|2,0,0]=4