0 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 D0879 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 A1489 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 A5381 [0,0,0,0,0,0|0,1,0]=1 3 B10R1.59 CC(=O)C1=C(Cl)SC(Cl)=C1 A3757 [0,0,0,0,0,0|2,1,0]=3 4 B10R1.59 CC1=C(C(=O)O)NC(=O)N1 D4435 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.59 CC1=CC(C(=N)N)=C(C)O1 D16850 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 D7475 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 D15082 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 D15080 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 D7443 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.59 CC1=NN(C)C(C(=O)Cl)=C1 D7476 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 D15147 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.22 CC1=CC(C)=C(C=O)N1 D15105 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.22 CC1=NC(C=O)=C(C)O1 D16214 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.35 CC(=O)C1=CC=C(Br)S1 A3938 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.35 CC(=O)C1=CNC(C)=N1 A12830 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.35 CC1=CC(C(=O)O)=CN1 M16417 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.35 CC1=CC(C(=O)O)=CN1 M16417 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.35 CC1=NC=C(C(=O)O)S1 M15609 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.35 CC1=NNC(C(=O)O)=C1 M12250 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.41 CC1=C(C(=N)N)C=CO1 M16886 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.41 CC1=C(C(=O)O)C=NO1 M1417 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.41 CC1=C(C(=O)O)SC=C1 M0715 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.41 CC1=C(C(=O)O)SC=N1 M15610 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.41 CN1C=CC=C1C(=O)O M16979 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.41 CN1N=CC=C1C(=O)O M17588 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.50 CCC1=NC(C)=C(C(=O)O)S1 E0655 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.225 CC1=CC(C(=O)O[K])=C(N)S1 A16683 [0,1,0,0,0,0|2,1,0]=4 28 B11R1.225 CC1=NN(C)C(C(=O)NN)=C1 D15149 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.225 COC(=O)C1=C(C)N=C(N)S1 M7912 [0,1,0,0,0,0|3,0,0]=4 30 B9R0.48 CCOC(=O)\C=C\C(=O)O F0286 [0,0,1,0,0,0|2,0,1]=4 31 B11R1.74 CC(=O)C1=CC(F)=CC(F)=C1 D0328 [0,0,0,0,0,1|3,0,0]=4 32 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 D4704 [0,0,0,0,0,1|3,0,0]=4 33 B11R1.74 CC1=CC(C(=O)Cl)=CC(Cl)=N1 C8587 [0,0,0,0,0,1|3,0,0]=4 34 B11R1.74 CC1=CC(C)=CC(C(=O)Cl)=C1 D3213 [0,0,0,0,0,1|2,0,0]=3 35 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 D0285 [0,0,0,0,0,1|2,0,0]=3 36 B11R1.74 CC1=CC(O)=CC(C(=O)O)=C1 H19415 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Br B10455 [0,0,0,0,0,1|3,0,0]=4 38 B11R1.166 CC(=O)C1=CC=C(F)C=C1Br B9783 [0,0,0,0,0,1|3,0,0]=4 39 B11R1.166 CC(=O)C1=CC=C(F)C=C1F D4962 [0,0,0,0,0,1|3,0,0]=4 40 B11R1.166 CC(=O)C1=CC=C(F)C=C1O F11061 [0,0,0,0,0,1|3,0,0]=4 41 B11R1.166 CC(=O)C1=CC=C(O)C=C1Br B3803 [0,0,0,0,0,1|3,0,0]=4 42 B11R1.166 CC(=O)C1=CC=C(O)C=C1Cl H4710 [0,0,0,0,0,1|3,0,0]=4 43 B11R1.166 CC(=O)C1=CC=C(O)C=C1F F2843 [0,0,0,0,0,1|3,0,0]=4 44 B11R1.166 CC1=C(C(=O)O)C=CC(O)=C1 E0648 [0,0,0,0,0,1|3,0,0]=4 45 B11R1.166 CC1=C(C(=O)O)C=NC(N)=N1 A14668 [0,0,0,0,0,1|3,0,0]=4 46 B11R1.166 CC1=CC(Br)=CC=C1C(=O)O B12389 [0,0,0,0,0,1|3,0,0]=4 47 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 D18767 [0,0,0,0,0,1|2,0,0]=3 48 B11R1.166 CC1=CC(F)=CC=C1C(=O)O F6690 [0,0,0,0,0,1|3,0,0]=4 49 B11R1.166 CC1=CC(N)=CC=C1C(=O)O A18227 [0,0,0,0,0,1|3,0,0]=4 50 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 M1241 [0,0,0,0,0,1|3,0,0]=4 51 B11R1.166 CC1=CC(O)=C(C(=O)O)C=N1 H17849 [0,0,0,0,0,1|3,0,0]=4 52 B11R1.166 CC1=CC=C(C(=N)N)C(C)=C1 D13639 [0,0,0,0,0,1|3,0,0]=4 53 B11R1.166 CC1=CC=C(C(=O)O)C(Br)=C1 B1484 [0,0,0,0,0,1|3,0,0]=4 54 B11R1.166 CC1=CC=C(C(=O)O)C(F)=C1 F5187 [0,0,0,0,0,1|3,0,0]=4 55 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 A0794 [0,0,0,0,0,1|3,0,0]=4 56 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 A0794 [0,0,0,0,0,1|3,0,0]=4 57 B11R1.166 CC1=CC=C(C(N)=O)C(O)=C1 M11731 [0,0,0,0,0,1|3,0,0]=4 58 B11R1.166 CC1=NC(Cl)=C(C(=O)O)C=C1 C7883 [0,0,0,0,0,1|3,0,0]=4 59 B11R1.166 CC1=NC=C(C(=O)O)C(C)=N1 D14251 [0,0,0,0,0,1|2,0,0]=3 60 B11R1.167 CC(=O)C1=C(Cl)C=CC(Cl)=C1 D0509 [0,0,0,0,0,1|3,0,0]=4 61 B11R1.167 CC(=O)C1=CC(Br)=CC=C1O B4788 [0,0,0,0,0,1|3,0,0]=4 62 B11R1.167 CC(=O)C1=CC(F)=CC=C1F D2678 [0,0,0,0,0,1|3,0,0]=4 63 B11R1.167 CC(=O)C1=CC(F)=CC=C1O F4692 [0,0,0,0,0,1|3,0,0]=4 64 B11R1.167 CC1=CC(C(=O)O)=C(F)C=C1 F5311 [0,0,0,0,0,1|3,0,0]=4 65 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 A1076 [0,0,0,0,0,1|3,0,0]=4 66 B11R1.167 CC1=CC=C(Br)C(C(=O)O)=C1 B9676 [0,0,0,0,0,1|3,0,0]=4 67 B11R1.167 CC1=CC=C(Br)C=C1C(=O)O B12383 [0,0,0,0,0,1|3,0,0]=4 68 B11R1.167 CC1=CC=C(Br)C=C1C(=O)O B12383 [0,0,0,0,0,1|3,0,0]=4 69 B11R1.167 CC1=CC=C(C)C(C(=N)N)=C1 D13640 [0,0,0,0,0,1|3,0,0]=4 70 B11R1.167 CC1=CC=C(F)C=C1C(=O)O F0174 [0,0,0,0,0,1|3,0,0]=4 71 B11R1.167 CC1=CC=C(N)C(C(N)=O)=C1 A3784 [0,0,0,0,0,1|3,0,0]=4 72 B11R1.645 CC1=NC(CC(=O)O)=C(C)S1 D7871 [0,0,0,0,0,1|2,1,0]=4 73 B8R1.1 C(=O)C1=CC=C(C)S1 M5366 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.1 CC1=NC=C(C=O)S1 M15635 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.1 CN1C=C(C=O)C=N1 M11562 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.11 C(=O)C1=C(C)C=CS1 M0714 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.11 CC1=C(C=O)N=CN1 M12761 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.11 CC1=C(C=O)SC=N1 T6714 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.11 CSC1=C(C)OC=C1 M6703 [2,0,0,0,0,0|1,0,0]=3 80 B8R1.18 CC1=C(C)OC(=O)O1 D0822 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.18 CC1=NC(C)=C(C)S1 T11320 [2,0,0,0,0,0|1,1,0]=4 82 B8R1.7 CC(=O)C1=CC=CN1 A0582 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.7 CC(=O)C1=CC=CO1 A1473 [2,0,0,0,0,0|2,0,0]=4 84 B8R1.7 CC(=O)C1=CC=CS1 A0583 [2,0,0,0,0,0|2,0,0]=4 85 B8R1.7 CC(=O)C1=CNC=C1 P7297 [2,0,0,0,0,0|1,0,0]=3 86 B8R1.7 CC(=O)C1=CNN=C1 A17999 [2,0,0,0,0,0|2,0,0]=4 87 B8R1.7 N=C(N)C1=COC=C1 F16868 [2,0,0,0,0,0|2,0,0]=4 88 B8R1.7 O=C(O)C1=CNC=C1 P7298 [2,0,0,0,0,0|2,0,0]=4 89 B8R1.7 O=C(O)C1=CNC=C1 P7298 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.256 COC1=C(C)OC(C)C1=O M7036 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.14 COC(=O)C1=COC(C)=N1 M3673 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.149 COC(=O)C1=C(C)C=CO1 M4783 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.149 COC(=O)C1=C(C)N=CS1 M7444 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.149 COC(=O)C1=C(N)SC=C1 M7445 [1,1,0,0,0,0|1,1,0]=4 95 B10R1.192 CC(=O)C1=C(C)NC=C1C D4109 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.192 CC(=O)C1=C(C)NN=C1C D15148 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.11 COC1=CC(C(=O)O)=CC(C)=C1 M19335 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.102 CC1=CC(C)=CC(S(C)(=O)=O)=C1 D8380 [0,1,0,0,0,1|2,0,0]=4 99 B12R1.358 COC(=O)C1=NC(Cl)=NC(C)=C1 M13736 [0,1,0,0,0,1|2,0,0]=4 100 B12R1.511 CC(=O)C1=CC(C)=CC(C)=C1O D7643 [0,1,0,0,0,1|1,0,0]=3 101 B12R1.511 CC(=O)C1=CC(C)=CC(N)=C1O A7674 [0,1,0,0,0,1|2,0,0]=4 102 B12R1.511 CC1=CC(C)=C(N)C(C(=O)O)=C1 A6758 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.1005 CC1=CC(C(N)=O)=CC(C)=C1Br B10205 [0,1,0,0,0,1|2,0,0]=4 104 B12R1.1005 CC1=CC(C(N)=O)=CC(C)=C1N A18112 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.126 CC1=CC(C)=C(S(C)(=O)=O)C=C1 D8377 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.232 CC(=O)C1=CC(C)=C(C)C=C1O H7632 [0,1,0,0,0,1|2,0,0]=4 107 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 F0241 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.452 COC1=CC=C(C(C)=O)C(N)=C1 A18258 [0,1,0,0,0,1|2,0,0]=4 109 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 M4708 [0,1,0,0,0,1|2,0,0]=4 110 B12R1.1000 CC(=O)C1=C([O-])C=C(C)OC1=O D8596 [0,1,0,0,0,1|1,0,0]=3 111 B12R1.1000 CC(=O)C1C(=O)C=C(C)OC1=O A0324 [0,1,0,0,0,1|1,0,1]=4 112 B12R1.1000 CC1=CC(C)=C(C(=O)Cl)C(C)=C1 T8307 [0,1,0,0,0,1|2,0,0]=4 113 B12R1.1000 CC1=CC(C)=C(C(=O)O)C(C)=C1 T1839 [0,1,0,0,0,1|2,0,0]=4 114 B12R1.1000 CC1=CC(C)=NC(N)=C1C(N)=O A7676 [0,1,0,0,0,1|2,0,0]=4 115 B12R1.1703 CC1=CC=C(C(=O)CCl)C(O)=C1 C15659 [0,1,0,0,0,1|2,0,0]=4 116 B12R1.1703 COC(=O)C1=C(Br)C=C(C)C=C1 M4483 [0,1,0,0,0,1|2,0,0]=4 117 B12R1.1703 COC(=O)C1=CC=C(C)C=C1O M7710 [0,1,0,0,0,1|2,0,0]=4 118 B12R1.46 COC1=C(C(C)=O)C=C(Br)C=C1 B10268 [0,1,0,0,0,1|2,0,0]=4 119 B12R1.46 COC1=C(C(C)=O)C=C(Cl)C=C1 C16138 [0,1,0,0,0,1|2,0,0]=4 120 B12R1.46 COC1=CC=C(C)C=C1C(=O)O M2853 [0,1,0,0,0,1|2,0,0]=4 121 B12R1.354 CCC(=O)C1=CC(C)=CC=C1O H7641 [0,1,0,0,0,1|2,0,0]=4 122 B12R1.354 COC(=O)C1=C(O)C=CC(C)=C1 M7708 [0,1,0,0,0,1|2,0,0]=4 123 B12R1.354 COC(=O)C1=CC(N)=CC=C1C M12387 [0,1,0,0,0,1|2,0,0]=4 124 B12R1.854 CC(=O)OC1=C(C)OC(C)C1=O F7002 [0,1,0,0,0,1|0,0,1]=3 125 B12R1.608 CCC1=CC(C(=O)OC)=C(N)S1 A8415 [0,2,0,0,0,0|1,1,0]=4 126 B12R1.608 COC(=O)C1=C(C)OC(CO)=C1 H14922 [0,2,0,0,0,0|0,0,0]=2 127 B12R1.313 CC1=CC(C(=O)CC#N)=C(C)O1 D7583 [0,2,0,0,0,0|0,0,0]=2 128 B12R1.313 CCOC(=O)C1=C(C)C=C(C)N1 D7750 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.313 CCOC(=O)C1=CC(C)=NN1C E7769 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.3443 COC(=O)C1=C(N)SC(C)=C1C A8414 [0,2,0,0,0,0|1,1,0]=4 131 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 B3805 [0,0,0,1,0,1|2,0,0]=4 132 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 B3805 [0,0,0,1,0,1|2,0,0]=4 133 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 C0119 [0,0,0,1,0,1|2,0,0]=4 134 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 F0986 [0,0,0,1,0,1|2,0,0]=4 135 B12R2.612 O=C1CCC2=CC(O)=CC=C12 H4064 [0,0,0,1,0,1|2,0,0]=4 136 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 B13710 [0,0,0,1,0,1|2,0,0]=4 137 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 C17004 [0,0,0,1,0,1|2,0,0]=4 138 B12R2.132 O=C1CCC2=CC=C(F)C=C12 F14034 [0,0,0,1,0,1|2,0,0]=4 139 B10R1.8 C(=O)C1=CC(C)=CC(C)=C1 D5519 [1,0,0,0,0,1|1,0,0]=3 140 B10R1.8 CC1=CC(C=O)=CC(F)=C1 F5299 [1,0,0,0,0,1|2,0,0]=4 141 B10R1.25 C(=O)C1=CC=C(F)C=C1C F4548 [1,0,0,0,0,1|2,0,0]=4 142 B10R1.25 C(=O)C1=CC=C(F)C=C1C F4548 [1,0,0,0,0,1|2,0,0]=4 143 B10R1.25 CC1=CC(Br)=CN=C1C=O B13827 [1,0,0,0,0,1|2,0,0]=4 144 B10R1.25 CC1=CC=C(C=O)C(F)=C1 F4547 [1,0,0,0,0,1|2,0,0]=4 145 B10R1.25 CC1=CC=C(C=O)C(F)=C1 F4547 [1,0,0,0,0,1|2,0,0]=4 146 B10R1.25 CC1=CC=C(C=O)C(O)=C1 H6704 [1,0,0,0,0,1|2,0,0]=4 147 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F1700 [1,0,0,0,0,1|2,0,0]=4 148 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A18848 [1,0,0,0,0,1|2,0,0]=4 149 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 B11426 [1,0,0,0,0,1|2,0,0]=4 150 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 M18854 [1,0,0,0,0,1|2,0,0]=4 151 B10R1.13 CC1=CC=C(C(=O)O)C=N1 M5526 [1,0,0,0,0,1|2,0,0]=4 152 B10R1.13 CC1=CC=C(C(=O)O)C=N1 M5526 [1,0,0,0,0,1|2,0,0]=4 153 B10R1.13 CC1=CN=C(C(=O)O)C=N1 M0470 [1,0,0,0,0,1|2,0,0]=4 154 B10R1.13 CC1=NC=C(C(=O)O)C=N1 M12568 [1,0,0,0,0,1|2,0,0]=4 155 B12R1.233 CC(=O)NC1=C(C)C=C(Cl)C=C1 C8342 [0,0,0,0,0,2|2,0,0]=4 156 B12R1.233 CC(=O)NC1=CC=C(C)C=C1Br B18488 [0,0,0,0,0,2|2,0,0]=4 157 B12R1.233 CC1=CC(C)=C(NC(N)=O)C=C1 D7647 [0,0,0,0,0,2|2,0,0]=4 158 B12R1.233 CC1=CC=C(CC(=O)O)C(C)=C1 D7645 [0,0,0,0,0,2|2,0,0]=4