0 B9R1.35 CC(=O)C1=CSC(N)=N1 BB0219893 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC1=CC(C(=O)O)=CS1 BB0253278 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 CC1=CC(C(=O)O)=NN1 BB0253991 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CC1=CC(C(=O)O)=NO1 BB0237313 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 CC1=CC=C(C(=O)O)O1 BB0219916 [0,0,0,0,0,0|1,1,0]=2 5 B9R1.35 CC1=CC=C([N+](=O)[O-])O1 BB0267034 [0,0,0,0,0,0|2,1,1]=4 6 B9R1.35 CC1=NC(C(=O)O)=CS1 BB0258306 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 CC1=NNC(C(=O)O)=C1 BB0219106 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 CC1=NNC(C(=O)O)=N1 BB0259241 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.35 CC1=NOC(C(=O)O)=C1 BB0250450 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.35 CN1C=C(C(=O)O)C=N1 BB0219806 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.35 CN1C=CC(C(=O)O)=N1 BB0237316 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.35 CN1C=CC(C(N)=O)=N1 BB0269616 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.35 NC(=O)C1=CSC(N)=N1 BB0270396 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.35 NC1=CC(C(=O)O)=NN1 BB0219953 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.35 NC1=NC(C(=O)O)=CS1 BB0257465 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.35 NC1=NC(C(=O)O)=NN1 BB0237735 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.35 NC1=NNC(C(=O)O)=C1 BB0260074 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 BB0268334 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.35 O=C(O)C1=CC(Br)=CS1 BB0269497 [0,0,0,0,0,0|2,1,0]=3 20 B9R1.35 O=C(O)C1=CC(O)=NO1 BB0254429 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.35 O=C(O)C1=CC=C(Br)O1 BB0242385 [0,0,0,0,0,0|0,2,0]=2 22 B9R1.35 O=C(O)C1=CSC(Br)=N1 BB0269498 [0,0,0,0,0,0|2,1,0]=3 23 B9R1.35 O=C(O)C1=NNC(O)=C1 BB0270546 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.35 O=C1C=C(C(=O)O)NN1 BB0219109 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.35 O=C1NC=C(C(=O)O)N1 BB0270256 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.1 CC1=NC=C(C=O)S1 BB0250487 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.1 O=CC1=CC=C(Br)O1 BB0254817 [1,0,0,0,0,0|0,2,0]=3 28 B8R1.7 C[C@H](N)C1=CC=CS1 BB0221014 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.7 O=C(O)C1=CC=CN1 BB0269481 [1,0,0,0,0,0|1,0,0]=2 30 B8R1.7 O=C(O)C1=CC=NN1 BB0219085 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.7 O=C(O)C1=CC=NO1 BB0270408 [1,0,0,0,0,0|1,1,0]=3 32 B8R1.7 O=C(O)C1=CN=NN1 BB0252158 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.7 O=C(O)C1=CNN=C1 BB0240464 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.7 O=C(O)C1=CON=C1 BB0253478 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.7 O=C(O)C1=NC=CN1 BB0259355 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.7 O=C(O)C1=NNC=C1 BB0265903 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.7 O=C(O)C1=NNN=C1 BB0270549 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.7 O=C(O)N1C=CN=C1 BB0262631 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.7 O=C([O-])C1=NC=CS1 BB0287222 [1,0,0,0,0,0|1,0,1]=3 40 B10R1.14 COC(=O)C1=CC(N)=CS1 BB0269574 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.14 COC(=O)C1=CC=C(C)S1 BB0267776 [0,1,0,0,0,0|1,0,0]=2 42 B10R1.14 COC(=O)C1=CN=C(N)S1 BB0268504 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.14 COC(=O)C1=CSC(C)=C1 BB0266179 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.31 CCC1=CC(C(=O)O)=CS1 BB0259473 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.31 CCC1=CC=C(C(=O)O)S1 BB0258758 [0,1,0,0,0,0|1,0,0]=2 46 B10R1.31 CCN1C=CC(C(=O)O)=N1 BB0253274 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.31 COC1=CC=C(C(=O)O)O1 BB0220587 [0,1,0,0,0,0|1,1,0]=3 48 B10R1.31 N#CC1=CC=C(C(=O)O)S1 BB0252802 [0,1,0,0,0,0|1,0,0]=2 49 B10R1.31 NCC1=CC=C(C(=O)O)O1 BB0220336 [0,1,0,0,0,0|1,1,0]=3 50 B10R1.31 O=C(O)C1=CC=C(CO)O1 BB0256593 [0,1,0,0,0,0|1,1,0]=3 51 B10R1.31 O=C(O)C1=NN(CO)C=C1 BB0267898 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.55 CC1=CC=C(S(=O)(=O)Cl)S1 BB0216456 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 BB0220659 [0,1,0,0,0,0|1,0,0]=2 54 B10R1.58 CC1=CC(C(=O)O)=NN1C BB0253249 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 BB0263285 [0,1,0,0,0,0|2,1,0]=4 56 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 BB0269791 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 BB0255031 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.59 CC1=CC(C(=O)O)=C(N)S1 BB0267773 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.59 CC1=CC(C)=C(C(=O)O)O1 BB0252149 [0,1,0,0,0,0|1,1,0]=3 60 B10R1.59 CN1C=C(Br)C(C(=O)O)=N1 BB0254252 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.59 CN1C=C(Cl)C(C(=O)O)=N1 BB0267843 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.13 CC1=NC=C(C(=O)O)C=C1 BB0267604 [0,0,0,0,0,1|2,0,0]=3 63 B10R1.13 NC(=O)C1=NN=C(Br)C=C1 BB0263053 [0,0,0,0,0,1|2,1,0]=4 64 B10R1.13 O=C(O)C1=CC=C(I)C=C1 BB0268012 [0,0,0,0,0,1|1,1,0]=3 65 B10R1.13 O=C(O)C1=CN=C(O)C=C1 BB0269518 [0,0,0,0,0,1|2,0,0]=3 66 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 BB0263306 [0,0,0,0,0,1|1,0,0]=2 67 B10R1.13 O=C(O)C1=NC=C(O)C=C1 BB0270262 [0,0,0,0,0,1|2,0,0]=3 68 B10R1.13 O=C1C=CC(C(=O)O)=NN1 BB0237015 [0,0,0,0,0,1|2,0,0]=3 69 B10R1.13 O=[N+]([O-])C1=CN=C(Cl)C=C1 BB0268202 [0,0,0,0,0,1|2,0,1]=4 70 B10R1.54 CC1=NN(CC(=O)O)C=C1 BB0267521 [0,0,0,0,0,1|3,0,0]=4 71 B10R1.54 CN1C=CC(CC(=O)O)=N1 BB0251966 [0,0,0,0,0,1|3,0,0]=4 72 B10R1.54 O=C(O)CN1C=C(Cl)C=N1 BB0256702 [0,0,0,0,0,1|3,0,0]=4 73 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 BB0263044 [0,0,0,0,0,1|2,0,0]=3 74 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 BB0244175 [0,0,0,0,0,1|2,1,0]=4 75 B10R1.113 NC(=O)C1=CC(Br)=NC=C1 BB0262961 [0,0,0,0,0,1|2,1,0]=4 76 B10R1.113 NC(=O)C1=CC(N)=CC=C1 BB0242898 [0,0,0,0,0,1|3,0,0]=4 77 B10R1.113 NC(=O)C1=CC=CC(F)=C1 BB0266818 [0,0,0,0,0,1|2,1,0]=4 78 B10R1.113 NC1=CC(C(=O)O)=CN=C1 BB0244174 [0,0,0,0,0,1|2,0,0]=3 79 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 BB0246832 [0,0,0,0,0,1|1,1,0]=3 80 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 BB0262970 [0,0,0,0,0,1|1,1,0]=3 81 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 BB0242421 [0,0,0,0,0,1|1,0,0]=2 82 B10R1.113 O=C(O)C1=CC=CC(Br)=N1 BB0269344 [0,0,0,0,0,1|1,1,0]=3 83 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 BB0290222 [0,0,0,0,0,1|1,0,0]=2 84 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 BB0267780 [0,0,0,0,0,1|1,0,0]=2 85 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 BB0270068 [0,0,0,0,0,1|1,1,0]=3 86 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 BB0218110 [0,0,0,0,0,1|1,0,0]=2 87 B10R1.113 O=C(O)C1=NC=CC(I)=C1 BB0270067 [0,0,0,0,0,1|1,1,0]=3 88 B10R1.113 O=C(O)C1=NC=CC(O)=C1 BB0270064 [0,0,0,0,0,1|2,0,0]=3 89 B10R1.113 O=[N+]([O-])C1=CC(Cl)=NC=C1 BB0270720 [0,0,0,0,0,1|2,0,1]=4 90 B7R1.1 O=CC1=CC=CN1 BB0269480 [2,0,0,0,0,0|1,0,0]=3 91 B7R1.1 O=CC1=CC=CS1 BB0268058 [2,0,0,0,0,0|0,0,0]=2 92 B7R1.1 O=CC1=NNC=C1 BB0267966 [2,0,0,0,0,0|2,0,0]=4 93 B7R1.2 C=C1C=CC(=O)O1 BB0268541 [2,0,0,0,0,0|1,1,0]=4 94 B7R1.2 CC1=CC=C(N)S1 BB0260663 [2,0,0,0,0,0|1,0,1]=4 95 B9R1.11 CCC(=O)C1=CC=CS1 BB0268344 [1,1,0,0,0,0|1,0,0]=3 96 B9R1.11 COC(=O)C1=CC=CN1 BB0267781 [1,1,0,0,0,0|1,0,0]=3 97 B9R1.11 COC(=O)C1=CC=CO1 BB0267962 [1,1,0,0,0,0|0,1,0]=3 98 B9R1.11 COC(=O)C1=CC=NN1 BB0258847 [1,1,0,0,0,0|2,0,0]=4 99 B9R1.11 COC(=O)C1=CSC=C1 BB0269294 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.11 C\C(=N/O)C1=CC=CS1 BB0286878 [1,1,0,0,0,0|1,0,0]=3 101 B9R1.11 NNC(=O)C1=CC=CO1 BB0282860 [1,1,0,0,0,0|1,1,0]=4 102 B9R1.11 N\C(=N/O)C1=CC=CS1 BB0218105 [1,1,0,0,0,0|1,0,0]=3 103 B9R1.41 CC1=C(B(O)O)SC=C1 BB0277632 [1,1,0,0,0,0|1,0,1]=4 104 B9R1.41 CC1=C(C(=O)O)SC=N1 BB0241904 [1,1,0,0,0,0|1,0,0]=3 105 B9R1.41 CC1=C(C(=O)O)SN=N1 BB0218315 [1,1,0,0,0,0|2,0,0]=4 106 B9R1.41 CN1C=CN=C1C(=O)O BB0253147 [1,1,0,0,0,0|2,0,0]=4 107 B9R1.41 CN1N=CC=C1C(=O)O BB0267511 [1,1,0,0,0,0|2,0,0]=4 108 B9R1.41 NC1=CSN=C1C(=O)O BB0259384 [1,1,0,0,0,0|2,0,0]=4 109 B9R1.41 O=C(O)C1=C(Br)C=NN1 BB0256425 [1,1,0,0,0,0|2,0,0]=4 110 B9R1.41 O=C(O)C1=C(Br)OC=C1 BB0268347 [1,1,0,0,0,0|2,0,0]=4 111 B9R1.41 O=C(O)C1=C(Cl)C=NN1 BB0267531 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 BB0269510 [0,1,0,0,0,1|2,0,0]=4 113 B11R1.3 COC1=NC=C(C(=O)O)C=C1 BB0218333 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.3 COC1=NN=C(C(=O)O)C=C1 BB0270147 [0,1,0,0,0,1|2,0,0]=4 115 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 BB0220537 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 BB0267753 [0,1,0,0,0,1|1,1,0]=4 117 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 BB0267787 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 BB0277867 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 BB0269509 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.21 CN1N=C(C(=O)O)C=CC1=O BB0270255 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 BB0266835 [0,1,0,0,0,1|1,1,0]=4 122 B11R1.21 NC1=C(Cl)C=C(C(=O)O)C=C1 BB0266836 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 BB0245793 [0,1,0,0,0,1|1,0,0]=3 124 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 BB0258964 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 BB0268233 [0,1,0,0,0,1|1,1,0]=4 126 B11R1.21 O=C(O)C1=CC(Cl)=C(O)N=C1 BB0268241 [0,1,0,0,0,1|2,0,0]=4 127 B11R1.21 O=C(O)C1=CN=C(I)C(O)=C1 BB0270135 [0,1,0,0,0,1|1,1,0]=4 128 B11R1.22 COC(=O)C1=CC=C(C)C=C1 BB0258797 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 BB0267982 [0,1,0,0,0,1|1,0,0]=3 130 B11R1.22 COC(=O)C1=CC=C(I)C=C1 BB0268055 [0,1,0,0,0,1|1,1,0]=4 131 B11R1.22 COC(=O)C1=CC=C(N)C=C1 BB0263172 [0,1,0,0,0,1|2,0,0]=4 132 B11R1.22 COC(=O)C1=CC=C(O)C=C1 BB0263150 [0,1,0,0,0,1|2,0,0]=4 133 B11R1.166 CC1=CC=C(C(=O)O)C(=O)N1 BB0219102 [0,1,0,0,0,1|2,0,0]=4 134 B11R1.166 CC1=CC=C(C(=O)O)C(Cl)=N1 BB0268114 [0,1,0,0,0,1|2,0,0]=4 135 B11R1.166 NC(=O)C1=C(N)C=C(Cl)C=C1 BB0217598 [0,1,0,0,0,1|2,0,0]=4 136 B11R1.166 NC1=CC(Br)=C(C(=O)O)C=C1 BB0267060 [0,1,0,0,0,1|2,0,0]=4 137 B11R1.166 NC1=CC(Cl)=NC=C1C(=O)O BB0261924 [0,1,0,0,0,1|1,0,0]=3 138 B11R1.39 COC(=O)CC1=CN=C(N)S1 BB0253168 [0,1,0,0,0,1|2,0,0]=4 139 B11R1.80 CC(=O)NC1=CC(C)=C(C)S1 BB0220575 [0,1,0,0,0,1|2,0,0]=4 140 B11R1.645 CC1=NC(C)=C(CC(=O)O)S1 BB0220501 [0,1,0,0,0,1|2,0,0]=4 141 B11R1.645 O=C(O)\C=C1/SC(=O)NC1=O BB0269917 [0,1,0,0,0,1|2,0,0]=4 142 B11R1.23 CCC(=O)C1=CC(Cl)=NC=C1 BB0262963 [0,1,0,0,0,1|2,0,0]=4 143 B11R1.23 COC(=O)C1=CC(N)=CC=C1 BB0245098 [0,1,0,0,0,1|2,0,0]=4 144 B11R1.23 COC(=O)C1=CC(O)=CC=C1 BB0287095 [0,1,0,0,0,1|2,0,0]=4 145 B11R1.23 COC(=O)C1=CC=CC(Cl)=C1 BB0267029 [0,1,0,0,0,1|1,0,0]=3 146 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 BB0258123 [0,1,0,0,0,1|1,1,0]=4 147 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 BB0269953 [0,1,0,0,0,1|2,0,0]=4 148 B11R1.74 NC1=NC(O)=CC(C(=O)O)=N1 BB0241912 [0,1,0,0,0,1|2,0,0]=4 149 B11R1.159 CC1=CC=CC(C(=O)O)=C1O BB0267000 [0,1,0,0,0,1|2,0,0]=4 150 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=NC=C1 BB0263309 [0,1,0,0,0,1|1,0,0]=3 151 B11R1.159 O=C(O)C1=C(F)C(F)=NC=C1 BB0272409 [0,1,0,0,0,1|1,1,0]=4 152 B11R1.159 O=C(O)C1=CC=CC(Br)=C1O BB0266790 [0,1,0,0,0,1|1,1,0]=4 153 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1O BB0266864 [0,1,0,0,0,1|1,0,0]=3 154 B11R1.167 NC(=O)C1=C(Br)C=CC(Cl)=C1 BB0245680 [0,1,0,0,0,1|2,0,0]=4 155 B11R1.167 NC(=O)C1=C(O)C=CC(Cl)=C1 BB0293054 [0,1,0,0,0,1|2,0,0]=4 156 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=C1 BB0244022 [0,1,0,0,0,1|1,1,0]=4 157 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 BB0244021 [0,1,0,0,0,1|1,0,0]=3 158 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 BB0244024 [0,1,0,0,0,1|1,1,0]=4 159 B11R1.167 O=C(O)C1=C(Br)C=CC(I)=C1 BB0245937 [0,1,0,0,0,1|1,1,0]=4 160 B11R1.167 O=C(O)C1=C(I)C=CC(I)=C1 BB0244986 [0,1,0,0,0,1|1,1,0]=4 161 B11R1.266 CNC1=CC(C(=O)O)=CN=C1 BB0270071 [0,1,0,0,0,1|2,0,0]=4 162 B11R1.266 COC1=CC(C(=O)O)=NC=C1 BB0270069 [0,1,0,0,0,1|2,0,0]=4 163 B11R1.44 COC(=O)C1=CC(CCl)=CS1 BB0256769 [0,2,0,0,0,0|2,0,0]=4 164 B11R1.44 COC(=O)C1=CC=C(CBr)S1 BB0265987 [0,2,0,0,0,0|0,1,0]=3 165 B11R1.44 COC(=O)C1=CC=C(CCl)O1 BB0220506 [0,2,0,0,0,0|0,1,0]=3 166 B11R1.44 COC(=O)C1=CC=C(CN)O1 BB0220335 [0,2,0,0,0,0|1,1,0]=4 167 B11R1.44 COC(=O)C1=CC=C(CO)O1 BB0252351 [0,2,0,0,0,0|1,1,0]=4 168 B11R1.124 CCCC1=CC=C(C(=O)O)S1 BB0258759 [0,2,0,0,0,0|1,0,0]=3 169 B9R1.6 O=C(O)C1=CC=CC=C1 BB0269653 [0,0,1,1,0,0|2,0,0]=4 170 B7R1.18 O=C(O)C1=CCC1 BB0262190 [1,0,0,0,1,0|0,0,2]=4 171 B9R1.2 O=CC1=CC=CC(F)=N1 BB0268587 [1,0,0,0,0,1|1,1,0]=4 172 B9R1.13 O=C(O)CN1C=CC=C1 BB0270376 [1,0,0,0,0,1|2,0,0]=4 173 B9R1.13 O=C(O)CN1C=CC=N1 BB0258606 [1,0,0,0,0,1|2,0,0]=4 174 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BB0244247 [0,0,0,0,0,2|2,0,0]=4 175 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 BB0267785 [0,0,0,0,0,2|1,1,0]=4 176 B11R1.75 CC1=CC=C(CCC(=O)O)O1 BB0253375 [0,0,0,0,0,2|1,1,0]=4