0 B8R1.7 C[C@H](N)C1=CC=CS1 BB0221014 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.7 N=C(N)N1C=CC=N1 BB0263151 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.7 NC(=O)C1=CNN=C1 BB0267649 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.7 O=C(O)C1=CC=CN1 BB0269481 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.7 O=C(O)C1=CC=NN1 BB0219085 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.7 O=C(O)C1=CC=NO1 BB0270408 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.7 O=C(O)C1=CN=NN1 BB0252158 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.7 O=C(O)C1=CNN=C1 BB0240464 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.7 O=C(O)C1=CON=C1 BB0253478 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.7 O=C(O)C1=NC=CN1 BB0259355 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.7 O=C(O)C1=NNC=C1 BB0265903 [0,0,0,0,0,0|2,0,1]=3 11 B8R1.7 O=C(O)C1=NNN=C1 BB0270549 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.7 O=C(O)N1C=CN=C1 BB0262631 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.7 O=C([O-])C1=NC=CS1 BB0287222 [0,0,0,0,0,0|2,0,1]=3 14 B8R1.7 O=[N+]([O-])C1=CC=NN1 BB0257637 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.1 CCN1C=CC=N1 BB0257844 [1,0,0,0,0,0|1,0,2]=4 16 B7R1.1 N#CC1=CC=CN1 BB0269735 [1,0,0,0,0,0|1,0,1]=3 17 B7R1.1 O=CC1=CC=CN1 BB0269480 [1,0,0,0,0,0|0,0,0]=1 18 B7R1.1 O=CC1=CC=CS1 BB0268058 [1,0,0,0,0,0|1,0,0]=2 19 B7R1.1 O=CC1=CNN=C1 BB0250537 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.1 O=CC1=NNC=C1 BB0267966 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.11 CCC(=O)C1=CC=CS1 BB0268344 [0,1,0,0,0,0|1,0,0]=2 22 B9R1.11 COC(=O)C1=CC=CN1 BB0267781 [0,1,0,0,0,0|0,0,0]=1 23 B9R1.11 COC(=O)C1=CC=CO1 BB0267962 [0,1,0,0,0,0|1,0,0]=2 24 B9R1.11 COC(=O)C1=CC=NN1 BB0258847 [0,1,0,0,0,0|1,0,0]=2 25 B9R1.11 COC(=O)C1=CNN=C1 BB0259302 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.11 COC(=O)C1=CSC=C1 BB0269294 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.11 C\C(=N/O)C1=CC=CS1 BB0286878 [0,1,0,0,0,0|1,0,1]=3 28 B9R1.11 NCC(=O)C1=CSC=C1 BB0269535 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.11 NNC(=O)C1=CC=CO1 BB0282860 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.11 NNC(=O)C1=CC=NN1 BB0267482 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.11 N\C(=N/O)C1=CC=CS1 BB0218105 [0,1,0,0,0,0|2,0,1]=4 32 B9R1.11 O=C(CCl)N1C=CC=N1 BB0241919 [0,1,0,0,0,0|1,0,1]=3 33 B9R1.35 CC(=O)C1=CSC(N)=N1 BB0219893 [0,1,0,0,0,0|1,0,1]=3 34 B9R1.35 CC1=CC(C(=O)O)=CS1 BB0253278 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.35 CC1=CC(C(=O)O)=NN1 BB0253991 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.35 CC1=CC(C(=O)O)=NO1 BB0237313 [0,1,0,0,0,0|2,0,1]=4 37 B9R1.35 CC1=CC(C(N)=O)=NN1 BB0293273 [0,1,0,0,0,0|2,0,1]=4 38 B9R1.35 CC1=CC=C(C(=O)O)O1 BB0219916 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.35 CC1=CC=C([N+](=O)[O-])O1 BB0267034 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.35 CC1=NC(C(=O)O)=CS1 BB0258306 [0,1,0,0,0,0|2,0,1]=4 41 B9R1.35 CC1=NNC(C(=O)O)=C1 BB0219106 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.35 CC1=NNC(C(=O)O)=N1 BB0259241 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.35 CC1=NOC(C(=O)O)=C1 BB0250450 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.35 CN1C=CC(C(=O)O)=N1 BB0237316 [0,1,0,0,0,0|2,0,1]=4 45 B9R1.35 CN1C=CC(C(N)=O)=N1 BB0269616 [0,1,0,0,0,0|2,0,1]=4 46 B9R1.35 NC(=O)C1=CSC(N)=N1 BB0270396 [0,1,0,0,0,0|2,0,1]=4 47 B9R1.35 NC1=CC(C(=O)O)=NN1 BB0219953 [0,1,0,0,0,0|2,0,1]=4 48 B9R1.35 NC1=NC(C(=O)O)=CS1 BB0257465 [0,1,0,0,0,0|2,0,1]=4 49 B9R1.35 NC1=NNC(C(=O)O)=C1 BB0260074 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.35 O=C(O)C1=CC(Br)=CS1 BB0269497 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.35 O=C(O)C1=CC(O)=NO1 BB0254429 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.35 O=C(O)C1=CC=C(Br)O1 BB0242385 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.35 O=C(O)C1=CSC(Br)=N1 BB0269498 [0,1,0,0,0,0|2,0,1]=4 54 B9R1.35 O=C(O)C1=NNC(O)=C1 BB0270546 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.35 O=C1C=C(C(=O)O)NN1 BB0219109 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.35 O=C1NC=C(C(=O)O)N1 BB0270256 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.41 CC(=O)C1=CC=NN1C BB0259259 [0,1,0,0,0,0|1,0,0]=2 58 B9R1.41 CC1=C(C(=O)O)SC=N1 BB0241904 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.41 CC1=C([N+](=O)[O-])NN=C1 BB0267501 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.41 CN1C=CN=C1C(=O)O BB0253147 [0,1,0,0,0,0|2,0,0]=3 61 B9R1.41 CN1N=CC=C1C(=O)O BB0267511 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.41 CN1N=CC=C1C(N)=O BB0259447 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.41 C[C@H](N)C1=CC=NN1C BB0266076 [0,1,0,0,0,0|2,0,1]=4 64 B9R1.41 NC(=O)C1=C(N)SC=C1 BB0240550 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.41 NC1=CSN=C1C(=O)O BB0259384 [0,1,0,0,0,0|2,0,1]=4 66 B9R1.41 O=C(O)C1=C(Br)C=NN1 BB0256425 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.41 O=C(O)C1=C(Br)OC=C1 BB0268347 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.41 O=C(O)C1=C(Cl)C=NN1 BB0267531 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.41 O=[N+]([O-])C1=C(Cl)C=NN1 BB0267683 [0,1,0,0,0,0|3,0,0]=4 70 B9R2.2 C1=NNC(C2CC2)=C1 BB0267839 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.18 O=C(O)C1=CCC1 BB0262190 [0,0,0,0,1,0|1,0,2]=4 72 B9R1.6 C=C(C)C1=CC=CC=C1 BB0220511 [0,0,0,0,0,1|2,0,0]=3 73 B9R1.6 C[C@H](Cl)C1=CC=CC=C1 BB0267980 [0,0,0,0,0,1|2,0,1]=4 74 B9R1.6 C[C@H](O)C1=CC=CC=C1 BB0265980 [0,0,0,0,0,1|1,0,2]=4 75 B9R1.6 N=C(N)C1=CC=CN=C1 BB0221335 [0,0,0,0,0,1|2,0,1]=4 76 B9R1.6 O=C(Cl)C1=CN=CC=C1 BB0269554 [0,0,0,0,0,1|1,0,1]=3 77 B9R1.6 O=C(O)C1=CC=CC=C1 BB0269653 [0,0,0,0,0,1|2,0,0]=3 78 B9R1.13 CC(=O)CN1C=CN=C1 BB0240472 [0,0,0,0,0,1|3,0,0]=4 79 B9R1.13 O=C(O)CN1C=CC=C1 BB0270376 [0,0,0,0,0,1|3,0,0]=4 80 B9R1.13 O=C(O)CN1C=CC=N1 BB0258606 [0,0,0,0,0,1|2,0,1]=4 81 B6R1.2 BrC1=CC=NN1 BB0269359 [2,0,0,0,0,0|2,0,0]=4 82 B6R1.2 NC1=CC=CS1 BB0248296 [2,0,0,0,0,0|2,0,0]=4 83 B6R1.2 NC1=CC=NN1 BB0219775 [2,0,0,0,0,0|2,0,0]=4 84 B6R1.2 NC1=CN=CN1 BB0262079 [2,0,0,0,0,0|2,0,0]=4 85 B6R1.2 NC1=NC=CN1 BB0262960 [2,0,0,0,0,0|2,0,0]=4 86 B6R1.2 O=C1NC=CN1 BB0265892 [2,0,0,0,0,0|1,0,0]=3 87 B8R1.1 CC1=CC(C=O)=NN1 BB0254585 [1,1,0,0,0,0|1,0,1]=4 88 B8R1.1 CC1=NC=C(C=O)S1 BB0250487 [1,1,0,0,0,0|2,0,0]=4 89 B8R1.1 O=CC1=CC=C(Br)O1 BB0254817 [1,1,0,0,0,0|1,0,0]=3 90 B8R1.8 BrCCC1=CC=CS1 BB0256668 [1,1,0,0,0,0|1,0,1]=4 91 B8R1.8 CNCC1=CC=CO1 BB0257378 [1,1,0,0,0,0|1,0,1]=4 92 B8R1.8 CNCC1=CC=CS1 BB0279516 [1,1,0,0,0,0|1,0,1]=4 93 B8R1.8 O\N=C\C1=CC=CS1 BB0286786 [1,1,0,0,0,0|1,0,1]=4 94 B8R1.11 CC1=C(C=O)SC=N1 BB0259236 [1,1,0,0,0,0|2,0,0]=4 95 B8R1.11 CCC1=CC=NN1C BB0267877 [1,1,0,0,0,0|1,0,1]=4 96 B8R1.11 CN1C=CC=C1C=O BB0269486 [1,1,0,0,0,0|0,0,0]=2 97 B8R1.11 CN1C=CC=C1CN BB0262289 [1,1,0,0,0,0|1,0,1]=4 98 B8R1.11 CN1N=CC=C1C=O BB0262533 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.13 CC1=NC=C(C(=O)O)C=C1 BB0267604 [0,1,0,0,0,1|1,0,1]=4 100 B10R1.13 NC(=O)C1=NN=C(Br)C=C1 BB0263053 [0,1,0,0,0,1|1,0,1]=4 101 B10R1.13 O=C(O)C1=CC=C(I)C=C1 BB0268012 [0,1,0,0,0,1|2,0,0]=4 102 B10R1.13 O=C(O)C1=CN=C(O)C=C1 BB0269518 [0,1,0,0,0,1|1,0,1]=4 103 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 BB0263306 [0,1,0,0,0,1|1,0,1]=4 104 B10R1.13 O=C(O)C1=NC=C(O)C=C1 BB0270262 [0,1,0,0,0,1|1,0,1]=4 105 B10R1.13 O=C1C=CC(C(=O)O)=NN1 BB0237015 [0,1,0,0,0,1|1,0,0]=3 106 B10R1.15 C#CC(=O)C1=CC=CC=C1 BB0270313 [0,1,0,0,0,1|1,0,1]=4 107 B10R1.15 CN(C=O)C1=CC=CC=C1 BB0258777 [0,1,0,0,0,1|2,0,0]=4 108 B10R1.15 C\C(=N/O)C1=CC=CC=C1 BB0268020 [0,1,0,0,0,1|1,0,1]=4 109 B10R1.61 CC(=O)C1=CC=CN=C1Cl BB0262982 [0,1,0,0,0,1|0,0,1]=3 110 B10R1.61 CC1=C(C(=O)O)C=CC=C1 BB0269526 [0,1,0,0,0,1|2,0,0]=4 111 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 BB0267985 [0,1,0,0,0,1|2,0,0]=4 112 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 BB0285709 [0,1,0,0,0,1|2,0,0]=4 113 B10R1.61 O=C(O)C1=C(Br)C=CC=N1 BB0270076 [0,1,0,0,0,1|1,0,1]=4 114 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 BB0270107 [0,1,0,0,0,1|2,0,0]=4 115 B10R1.61 O=C(O)C1=C(Cl)C=NC=N1 BB0257032 [0,1,0,0,0,1|1,0,1]=4 116 B10R1.61 O=C(O)C1=C(F)C=NC=C1 BB0270722 [0,1,0,0,0,1|2,0,0]=4 117 B10R1.61 O=C(O)C1=C(O)C=CN=C1 BB0269959 [0,1,0,0,0,1|1,0,1]=4 118 B10R1.61 O=C(O)C1=CC=CN=C1S BB0242382 [0,1,0,0,0,1|1,0,1]=4 119 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 BB0263044 [0,1,0,0,0,1|1,0,0]=3 120 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 BB0244175 [0,1,0,0,0,1|1,0,1]=4 121 B10R1.113 NC(=O)C1=CC(Br)=NC=C1 BB0262961 [0,1,0,0,0,1|2,0,0]=4 122 B10R1.113 NC(=O)C1=CC(N)=CC=C1 BB0242898 [0,1,0,0,0,1|2,0,0]=4 123 B10R1.113 NC(=O)C1=CC=CC(F)=C1 BB0266818 [0,1,0,0,0,1|2,0,0]=4 124 B10R1.113 NC1=CC(C(=O)O)=CN=C1 BB0244174 [0,1,0,0,0,1|1,0,1]=4 125 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 BB0246832 [0,1,0,0,0,1|1,0,1]=4 126 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 BB0262970 [0,1,0,0,0,1|2,0,0]=4 127 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 BB0242421 [0,1,0,0,0,1|2,0,0]=4 128 B10R1.113 O=C(O)C1=CC=CC(Br)=N1 BB0269344 [0,1,0,0,0,1|1,0,1]=4 129 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 BB0290222 [0,1,0,0,0,1|2,0,0]=4 130 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 BB0267780 [0,1,0,0,0,1|1,0,1]=4 131 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 BB0270068 [0,1,0,0,0,1|1,0,1]=4 132 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 BB0218110 [0,1,0,0,0,1|1,0,1]=4 133 B10R1.113 O=C(O)C1=NC=CC(I)=C1 BB0270067 [0,1,0,0,0,1|1,0,1]=4 134 B10R1.113 O=C(O)C1=NC=CC(O)=C1 BB0270064 [0,1,0,0,0,1|1,0,1]=4 135 B10R1.27 O=C(CCl)NC1=NC=CS1 BB0243191 [0,1,0,0,0,1|1,0,1]=4 136 B10R1.11 CCOC(=O)C1=CC=NN1 BB0259275 [0,2,0,0,0,0|1,0,0]=3 137 B10R1.14 CC1=NNC(C(=O)NN)=C1 BB0219208 [0,2,0,0,0,0|2,0,0]=4 138 B10R1.14 CNC(=O)C1=COC(N)=N1 BB0270343 [0,2,0,0,0,0|1,0,1]=4 139 B10R1.14 COC(=O)C1=CC(N)=CS1 BB0269574 [0,2,0,0,0,0|1,0,0]=3 140 B10R1.14 COC(=O)C1=CC=C(C)S1 BB0267776 [0,2,0,0,0,0|1,0,0]=3 141 B10R1.14 COC(=O)C1=CN=C(N)S1 BB0268504 [0,2,0,0,0,0|2,0,0]=4 142 B10R1.14 COC(=O)C1=CSC(C)=C1 BB0266179 [0,2,0,0,0,0|2,0,0]=4 143 B10R1.149 COC(=O)C1=C(Cl)C=NN1 BB0258772 [0,2,0,0,0,0|1,0,0]=3 144 B10R1.149 COC(=O)C1=CC=NN1C BB0269427 [0,2,0,0,0,0|1,0,0]=3 145 B10R1.149 COC(=O)C1=NC=CN1C BB0262991 [0,2,0,0,0,0|1,0,0]=3 146 B10R1.31 CCC1=CC=C(C(=O)O)S1 BB0258758 [0,2,0,0,0,0|2,0,0]=4 147 B10R1.31 CCC1=NNC(C(=O)O)=C1 BB0267648 [0,2,0,0,0,0|2,0,0]=4 148 B10R1.31 COC1=CC=C(C(=O)O)O1 BB0220587 [0,2,0,0,0,0|2,0,0]=4 149 B10R1.31 N#CC1=CC=C(C(=O)O)S1 BB0252802 [0,2,0,0,0,0|2,0,0]=4 150 B10R1.31 NCC1=CC=C(C(=O)O)O1 BB0220336 [0,2,0,0,0,0|2,0,0]=4 151 B10R1.31 O=C(O)C1=CC=C(CO)O1 BB0256593 [0,2,0,0,0,0|2,0,0]=4 152 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 BB0220659 [0,2,0,0,0,0|2,0,0]=4 153 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 BB0263285 [0,2,0,0,0,0|1,0,0]=3 154 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 BB0269791 [0,2,0,0,0,0|2,0,0]=4 155 B10R1.59 CC1=CC(C)=C(C(=O)O)O1 BB0252149 [0,2,0,0,0,0|2,0,0]=4 156 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 BB0219187 [0,2,0,0,0,0|2,0,0]=4 157 B10R1.59 CN1N=C(N)C=C1C(=O)O BB0267864 [0,2,0,0,0,0|2,0,0]=4 158 B10R1.194 NC1=NNC(C(=O)O)=C1Br BB0269610 [0,2,0,0,0,0|2,0,0]=4 159 B10R1.39 CCN1C=NC=C1C(=O)O BB0219952 [0,2,0,0,0,0|2,0,0]=4 160 B10R1.39 CCN1N=CC=C1C(C)=O BB0267523 [0,2,0,0,0,0|1,0,0]=3 161 B10R1.39 O=CC1=C(C(=O)O)NN=C1 BB0269468 [0,2,0,0,0,0|2,0,0]=4 162 B10R1.192 CC(=O)C1=C(Br)C=NN1C BB0256789 [0,2,0,0,0,0|1,0,0]=3 163 B10R1.192 CN1N=CC(Br)=C1C(=O)O BB0254531 [0,2,0,0,0,0|2,0,0]=4 164 B10R1.192 CN1N=CC(Cl)=C1C(=O)O BB0256691 [0,2,0,0,0,0|2,0,0]=4 165 B10R1.192 CN1N=CC(I)=C1C(=O)O BB0254493 [0,2,0,0,0,0|2,0,0]=4 166 B10R1.192 CN1N=CC(N)=C1C(=O)O BB0268399 [0,2,0,0,0,0|2,0,0]=4 167 B8R1.4 CC1=CC(N)=NC=C1 BB0267603 [0,0,1,1,0,0|2,0,0]=4 168 B8R1.4 CC1=CC=CC(N)=N1 BB0267615 [0,0,1,1,0,0|1,0,0]=3 169 B8R1.4 NC1=CC=CC(Cl)=N1 BB0263334 [0,0,1,1,0,0|2,0,0]=4 170 B8R1.5 CC1=CC=CN=C1N BB0267617 [0,0,1,1,0,0|2,0,0]=4 171 B8R1.5 NC1=CC=CN=C1Cl BB0267620 [0,0,1,1,0,0|2,0,0]=4 172 B8R1.2 C=CC1=CC=CN=C1 BB0267984 [1,0,0,0,0,1|0,0,2]=4 173 B8R1.2 CCC1=CC=CN=C1 BB0263315 [1,0,0,0,0,1|0,0,2]=4 174 B8R1.2 COC1=CC=CC=C1 BB0266015 [1,0,0,0,0,1|2,0,0]=4 175 B10R1.18 CC(=O)CC1=NC=CC=C1 BB0255238 [0,0,0,0,0,2|0,0,1]=3 176 B10R1.18 O=C(O)CC1=CN=CC=C1 BB0259224 [0,0,0,0,0,2|1,0,1]=4 177 B10R1.66 NC(=O)\C=C\C1=CC=CO1 BB0279604 [0,0,0,0,0,2|2,0,0]=4 178 B10R1.66 O=C(O)CCC1=CC=CO1 BB0256622 [0,0,0,0,0,2|2,0,0]=4 179 B10R1.66 O=C(O)\C=C\C1=CC=CO1 BB0238505 [0,0,0,0,0,2|2,0,0]=4 180 B10R1.66 O=C(O)\C=C\C1=CC=CS1 BB0280516 [0,0,0,0,0,2|2,0,0]=4