0 B9R1.35 CC(=O)C1=CC(Br)=NO1 AT19699 [0,0,0,0,0,0|3,1,0]=4 1 B9R1.35 CC(=O)C1=CC=C(Br)N1 C90268 [0,0,0,0,0,0|3,1,0]=4 2 B9R1.35 CC(=O)C1=CC=C(Br)O1 O10305 [0,0,0,0,0,0|3,1,0]=4 3 B9R1.35 CC(=O)N1C=CC(N)=C1 AC4901 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 CC1=CC(C(N)=O)=NN1 N12273 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 CC1=NC(C(=O)O)=NO1 A10653 [0,0,0,0,0,0|3,1,0]=4 6 B9R1.35 CC1=NOC(C(=O)O)=N1 72017 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 CC1=NOC(C(N)=O)=C1 C11163 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 CC1=NSC(C(=O)O)=C1 AT21155 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 CN1C=C(C(=O)Cl)C=N1 AT16091 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.35 CN1C=C(C(=O)O)N=N1 S10573 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.35 CN1CC(C(=O)O)=CO1 F12190 [0,0,0,0,0,0|2,1,1]=4 12 B9R1.35 C[C@H](N)C1=CSC(Cl)=C1 P13206 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.35 C[C@H](O)C1=CC=C(Cl)O1 55260 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.35 FC(F)C1=CSC(Br)=C1 AT16867 [0,0,0,0,0,0|2,1,1]=4 15 B9R1.35 NC(=O)C1=CC(Br)=CS1 C76680 [0,0,0,0,0,0|3,1,0]=4 16 B9R1.35 NC(=O)C1=CC(O)=NO1 C72596 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.35 NC1=CN=C(C(=O)O)S1 38504 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.35 NC1=CN=C(C(=O)O)S1 70896 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.35 NC1=CSC(C(=O)O)=C1 AC7156 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.35 NC1=NN=C(C(=O)O)O1 D74010 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.35 NC1=NN=C(C(=O)O)S1 AT19542 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.35 NC1=NOC(C(=O)O)=C1 D78674 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.35 NC1=N[C@H](C(=O)O)CS1 D77103 [0,0,0,0,0,0|2,0,2]=4 24 B9R1.35 O=C(Cl)C1=CC=C(Cl)O1 AT17320 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.35 O=C(O)C1=CC(O)=CS1 AT16393 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.35 O=C(O)C1=CC=C(Br)N1 O11354 [0,0,0,0,0,0|2,1,0]=3 27 B9R1.35 O=C(O)C1=CC=C(Cl)N1 AT16176 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.35 O=C(O)C1=CN=C(Cl)N1 AT15386 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.35 O=C(O)C1=CN=C(I)O1 C91097 [0,0,0,0,0,0|2,1,0]=3 30 B9R1.35 O=C(O)C1=CSC(S)=N1 AT14870 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.35 O=C(O)C1=NC(Br)=NO1 D78703 [0,0,0,0,0,0|3,1,0]=4 32 B9R1.35 O=C(O)C1=NC(Cl)=CS1 AT14689 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.35 O=[N+]([O-])C1=CC=C(Cl)S1 W15255 [0,0,0,0,0,0|3,0,1]=4 34 B9R1.35 OB(O)C1=CSC(Cl)=C1 AT16904 [0,0,0,0,0,0|1,0,1]=2 35 B8R1.1 BrCC1=CSC(Br)=C1 AT16378 [1,0,0,0,0,0|1,1,1]=4 36 B8R1.1 C#CC1=CSC(Cl)=C1 P13211 [1,0,0,0,0,0|1,0,1]=3 37 B8R1.1 CC1=CC(CO)=CO1 AT17479 [1,0,0,0,0,0|1,1,1]=4 38 B8R1.1 CC1=CC(CO)=CS1 AT16765 [1,0,0,0,0,0|1,0,1]=3 39 B8R1.1 CC1=CC(CO)=NS1 AT21126 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.1 CC1=NNC(C=O)=C1 79805 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.1 CC1=NSC(C=O)=C1 C16590 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.1 ClC1=CC(CBr)=CS1 AT16579 [1,0,0,0,0,0|1,0,1]=3 43 B8R1.1 ClC1=NC(CBr)=CS1 AT15272 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.1 ClCC1=CSC(Br)=C1 AT16374 [1,0,0,0,0,0|1,1,1]=4 45 B8R1.1 N#CC1=CSC(Cl)=N1 27753 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.1 N#CC1=CSC(I)=C1 AT17048 [1,0,0,0,0,0|1,1,1]=4 47 B8R1.1 NCC1=CSC(Br)=C1 AT16376 [1,0,0,0,0,0|1,1,1]=4 48 B8R1.1 NCC1=CSC(Cl)=N1 AT14764 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.1 O=CC1=CC(Cl)=CO1 50491 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.1 O=CC1=CC(Cl)=CS1 P11080 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.1 O=CC1=CN=C(O)S1 AT14773 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.1 O=CC1=COC(Br)=C1 AT17110 [1,0,0,0,0,0|0,2,0]=3 53 B8R1.1 O=CC1=NC(Cl)=CS1 P12467 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.1 O=CC1=NNC(Br)=C1 F13791 [1,0,0,0,0,0|2,1,0]=4 55 B8R1.1 OCC1=CC(Cl)=CS1 37631 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.1 OCC1=COC(Cl)=N1 P10563 [1,0,0,0,0,0|1,1,1]=4 57 B8R1.1 OCC1=CSC(Br)=C1 AT16369 [1,0,0,0,0,0|0,1,1]=3 58 B8R1.1 OCC1=CSC(F)=N1 AT14869 [1,0,0,0,0,0|1,1,1]=4 59 B8R1.7 CC(=O)C1=CN=CO1 F19037 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.7 CC(=O)C1=COC=N1 AT18593 [1,0,0,0,0,0|2,1,0]=4 61 B8R1.7 CC(=O)C1=CSN=C1 AT21129 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.7 C[C@H](N)C1=CSC=C1 27875 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.7 C[C@H](O)C1=COC=C1 AT17475 [1,0,0,0,0,0|1,1,1]=4 64 B8R1.7 C[C@H](O)C1=COC=C1 AT17477 [1,0,0,0,0,0|1,1,1]=4 65 B8R1.7 C[C@H](O)C1=CSC=N1 AT14859 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.7 NC(=O)C1=NOC=C1 AT19826 [1,0,0,0,0,0|2,1,0]=4 67 B8R1.7 NC(=S)C1=COC=C1 AT17536 [1,0,0,0,0,0|1,2,0]=4 68 B8R1.7 O=C(Cl)C1=COC=N1 D78648 [1,0,0,0,0,0|2,1,0]=4 69 B8R1.7 O=C(O)[C@@H]1C=CCN1 F10849 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.7 O=[S@](O)C1=CC=CS1 AT16558 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.7 OB(O)C1=CNC=C1 AC8593 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.14 CC1=CC=C(C(=O)CO)O1 AC5801 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.14 CC1=CC=C(C(=O)CO)S1 AC3828 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.14 COC(=O)C1=CC(N)=NO1 D78675 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.14 COC(=O)C1=CC=C(F)S1 D87046 [0,1,0,0,0,0|2,1,0]=4 76 B10R1.14 COC(=O)C1=CN=C(S)S1 SC1359 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.14 COC(=O)C1=CNC(=S)N1 S11050 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.14 COC(=O)C1=CNC(C)=C1 AT21660 [0,1,0,0,0,0|2,0,0]=3 79 B10R1.14 COC(=O)C1=CNC(Cl)=C1 AC6843 [0,1,0,0,0,0|1,0,0]=2 80 B10R1.14 COC(=O)C1=COC(I)=N1 O11880 [0,1,0,0,0,0|1,2,0]=4 81 B10R1.14 COC(=O)C1=CSC(I)=C1 74713 [0,1,0,0,0,0|0,1,0]=2 82 B10R1.14 COC(=O)C1=NSC(N)=N1 AT11908 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.31 CCC1=CC=C(C(=O)O)O1 AT17158 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.31 CCC1=NNC(C(=O)O)=C1 W16046 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.31 CNC1=NC=C(C(=O)O)O1 AT18685 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.31 COC1=CC=C(C(=O)O)O1 AT17094 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.31 COC1=NC(C(=O)O)=CO1 AT18455 [0,1,0,0,0,0|2,1,0]=4 88 B10R1.31 CSC1=CC(C(=O)O)=CO1 AT17277 [0,1,0,0,0,0|1,1,0]=3 89 B10R1.31 CSC1=CC=C(C(=O)O)O1 AT17280 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.31 N#CC1=CC(B(O)O)=CS1 AT16890 [0,1,0,0,0,0|2,0,1]=4 91 B10R1.31 NCC1=CC=C(C(=O)O)O1 AT17184 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.31 NCC1=CC=C(C(=O)O)S1 AT24853 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.31 O=C(O)C1=COC(CBr)=N1 AT18565 [0,1,0,0,0,0|1,2,0]=4 94 B10R1.31 O=C(O)C1=COC(CO)=C1 AT17501 [0,1,0,0,0,0|1,1,0]=3 95 B10R1.31 O=CC1=CC(C(=O)O)=CS1 AT16777 [0,1,0,0,0,0|1,0,0]=2 96 B10R1.31 O=CC1=CNC(C(=O)O)=C1 I11670 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.31 O=CC1=CSC(C(=O)O)=C1 AT16396 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.55 CC1=CC(S(=O)(=O)Cl)=CS1 AT16917 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 W10228 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.58 CC1=C(Cl)N=C(C(=O)O)N1 96260 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.58 CC1=NC(C(=O)O)=CN1C AC8449 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.58 CN1C=C(C(=O)O)C=C1Br C91432 [0,1,0,0,0,0|1,1,0]=3 103 B10R1.58 CN1N=C(C(=O)O)C=C1N AT14203 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.58 CN1N=C(C(=O)O)N=C1Cl AT12337 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 27225 [0,1,0,0,0,0|2,1,0]=4 106 B10R1.59 CC1=C(C(=O)O)N=C(Br)O1 F13395 [0,1,0,0,0,0|1,2,0]=4 107 B10R1.59 CC1=CC(C(=O)O)=C(Br)S1 92997 [0,1,0,0,0,0|1,0,0]=2 108 B10R1.59 CC1=CC(C)=C(C(=O)O)O1 AT17163 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.59 CC1=CC(C)=C(C(=O)O)S1 AT16400 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.59 CC1=CN(C)C=C1C(=O)O AT10393 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.59 CC1=NC(C(=O)O)=C(Br)O1 27242 [0,1,0,0,0,0|2,1,0]=4 112 B10R1.59 CC1=NC(C(=O)O)=C(C)N1 AT15391 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.59 CC1=NC(C(=O)O)=C(C)S1 AT21448 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.59 NC(=O)C1=C(N)SC(S)=N1 SC4101 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.59 NC1=C(C(=O)O)SC(Br)=C1 58229 [0,1,0,0,0,0|2,1,0]=4 116 B10R1.194 CC1=C(Br)C(C(=O)O)=NO1 AT19732 [0,1,0,0,0,0|2,1,0]=4 117 B10R1.194 CC1=C(C)C(C(=O)O)=NN1 O11128 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.194 CC1=COC(C(=O)O)=C1C AT17164 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.194 CC1=CSC(C(=O)O)=C1Br AT11772 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.194 CN1C(C(=O)O)=CN=C1Br 91202 [0,1,0,0,0,0|2,1,0]=4 121 B10R1.194 CN1C(C(=O)O)=CN=C1Cl AT20498 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.194 CN1N=CC(C(=O)O)=C1O AT14052 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.194 NC1=C(C(=O)O)SC=C1Br N16943 [0,1,0,0,0,0|2,1,0]=4 124 B10R1.194 O=C(Cl)C1=C(Cl)C(Cl)=NS1 AT21250 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.13 CC(=O)C1=CN=C(C)N=C1 32219 [0,0,0,0,0,1|3,0,0]=4 126 B10R1.13 CC1=NC=C(C(=O)Cl)C=C1 C90488 [0,0,0,0,0,1|3,0,0]=4 127 B10R1.13 CC1=NC=C(C(N)=O)C=N1 81927 [0,0,0,0,0,1|3,0,0]=4 128 B10R1.13 N=C(N)C1=NC=C(Cl)C=C1 AC8768 [0,0,0,0,0,1|3,0,0]=4 129 B10R1.13 NC(=O)C1=CN=C(Br)C=N1 N13142 [0,0,0,0,0,1|2,1,0]=4 130 B10R1.13 NC(=O)C1=CN=C(N)N=C1 81842 [0,0,0,0,0,1|3,0,0]=4 131 B10R1.13 O=C(Cl)C1=CN=C(Cl)N=C1 C14171 [0,0,0,0,0,1|2,0,0]=3 132 B10R1.13 O=C(O)C1=CN=C(S)N=C1 AT18396 [0,0,0,0,0,1|2,0,0]=3 133 B10R1.54 CC1=CC(CC(=O)O)=NN1 AT15993 [0,0,0,0,0,1|3,0,0]=4 134 B10R1.54 CC1=CC(CC(=O)O)=NO1 72026 [0,0,0,0,0,1|2,1,0]=4 135 B10R1.54 CC1=NC=C(CC(=O)O)S1 W18595 [0,0,0,0,0,1|3,0,0]=4 136 B10R1.54 NC(=O)CC1=CSC(Br)=N1 C75333 [0,0,0,0,0,1|2,1,0]=4 137 B10R1.54 NC1=CC(CC(=O)O)=NN1 CS1431 [0,0,0,0,0,1|3,0,0]=4 138 B10R1.54 NC1=NC=C(CC(=O)O)N1 C90531 [0,0,0,0,0,1|3,0,0]=4 139 B10R1.54 O=C(O)CC1=NC(Cl)=CS1 39265 [0,0,0,0,0,1|3,0,0]=4 140 B10R1.54 O=C(O)CN1C=NC(Cl)=N1 AT12177 [0,0,0,0,0,1|3,0,0]=4 141 B10R1.113 CC(=O)C1=CC(=O)NC=C1 90624 [0,0,0,0,0,1|3,0,0]=4 142 B10R1.113 CC(=O)C1=CC(Cl)=NC=N1 91059 [0,0,0,0,0,1|2,0,0]=3 143 B10R1.113 CC(=O)C1=CN=NC(C)=C1 E71800 [0,0,0,0,0,1|3,0,0]=4 144 B10R1.113 N=C(N)C1=CC(Cl)=NC=C1 87823 [0,0,0,0,0,1|3,0,0]=4 145 B10R1.113 N=C(N)C1=NC=CC(Cl)=C1 67989 [0,0,0,0,0,1|3,0,0]=4 146 B10R1.113 NC1=CC=NC(C(=O)O)=N1 AT18255 [0,0,0,0,0,1|3,0,0]=4 147 B10R1.113 O=C(Cl)C1=CC=NC(Cl)=N1 C14874 [0,0,0,0,0,1|3,0,0]=4 148 B10R1.113 O=C(Cl)C1=NC=CC(Cl)=C1 D84548 [0,0,0,0,0,1|2,0,0]=3 149 B10R1.113 O=C(O)C1=NC=CC(O)=C1 AC3399 [0,0,0,0,0,1|2,0,0]=3 150 B10R1.113 O=C([O-])C1=CC=CC(Cl)=C1 I11436 [0,0,0,0,0,1|1,0,1]=3 151 B7R1.1 ClCC1=CSC=C1 AT17055 [2,0,0,0,0,0|1,0,1]=4 152 B7R1.1 O=CC1=CSN=C1 83208 [2,0,0,0,0,0|1,0,0]=3 153 B7R1.1 O=CC1=CSN=N1 A51062 [2,0,0,0,0,0|2,0,0]=4 154 B7R1.2 BrC1=CSC(I)=C1 F10349 [2,0,0,0,0,0|1,1,0]=4 155 B7R1.2 CC1=CC(N)=CS1 27442 [2,0,0,0,0,0|2,0,0]=4 156 B7R1.2 CC1=CSC(N)=C1 N12877 [2,0,0,0,0,0|1,0,1]=4 157 B7R1.2 CC1=CSC(N)=C1 S11464 [2,0,0,0,0,0|1,0,1]=4 158 B7R1.2 CC1=CSC(S)=C1 AT16548 [2,0,0,0,0,0|1,0,1]=4 159 B7R1.2 ClC1=CSC(Br)=C1 AT16371 [2,0,0,0,0,0|1,1,0]=4 160 B7R1.2 NC1=CSC(Cl)=C1 38492 [2,0,0,0,0,0|1,0,0]=3 161 B7R1.2 NC1=CSC(Cl)=C1 P13129 [2,0,0,0,0,0|1,0,0]=3 162 B7R1.2 O=C1NC(O)=CS1 D73417 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.21 CCC1=NC(C=O)=CS1 AT15240 [1,1,0,0,0,0|2,0,0]=4 164 B9R1.21 COC1=NC(C=O)=CS1 AT15252 [1,1,0,0,0,0|2,0,0]=4 165 B9R1.21 N#CC1=CC(C=O)=CS1 AT17083 [1,1,0,0,0,0|1,0,0]=3 166 B9R1.21 O=CC1=CC(CCl)=CS1 AT17066 [1,1,0,0,0,0|2,0,0]=4 167 B9R1.21 O=CC1=CC=C(CCl)O1 F11818 [1,1,0,0,0,0|2,0,0]=4 168 B9R1.22 CC1=C(C=O)N=C(Br)S1 AT15268 [1,1,0,0,0,0|1,1,0]=4 169 B9R1.22 CC1=C(C=O)N=C(Cl)S1 F12184 [1,1,0,0,0,0|1,0,0]=3 170 B9R1.22 CC1=C(CO)N=C(Cl)S1 F12058 [1,1,0,0,0,0|1,0,1]=4 171 B9R1.22 CC1=CC(C=O)=C(C)O1 AT17481 [1,1,0,0,0,0|1,1,0]=4 172 B9R1.22 CC1=CC(CO)=C(C)S1 AT16768 [1,1,0,0,0,0|1,0,1]=4 173 B9R1.22 CC1=NC(C=O)=C(Br)S1 C15352 [1,1,0,0,0,0|2,0,0]=4 174 B9R1.22 CC1=NC(C=O)=C(C)S1 AT15238 [1,1,0,0,0,0|2,0,0]=4 175 B9R1.22 O=CC1=C(Br)SC(Br)=N1 AT10198 [1,1,0,0,0,0|1,1,0]=4 176 B9R1.22 OCC1=C(Br)SC(Cl)=N1 AT10263 [1,1,0,0,0,0|1,0,1]=4 177 B9R1.22 OCC1=C(Cl)SC(Cl)=N1 AT10261 [1,1,0,0,0,0|1,0,1]=4 178 B9R1.132 CC1=C(C)C(C=O)=CS1 AT17088 [1,1,0,0,0,0|1,0,0]=3 179 B9R1.132 CN1C(C=O)=CN=C1Cl AT15676 [1,1,0,0,0,0|2,0,0]=4 180 B9R1.132 CN1C(Cl)=CC=C1C=O AT16174 [1,1,0,0,0,0|2,0,0]=4 181 B9R1.11 COC(=O)C1=NOC=C1 AT19828 [1,1,0,0,0,0|1,1,0]=4 182 B9R1.11 COC(=O)C1=NSC=C1 AT21127 [1,1,0,0,0,0|1,0,0]=3 183 B9R1.11 N[C@@H](CO)C1=CSC=C1 N13030 [1,1,0,0,0,0|1,0,1]=4 184 B9R1.11 O=C(CBr)C1=CSC=N1 79583 [1,1,0,0,0,0|2,0,0]=4 185 B9R1.11 O=C(CCl)C1=CSN=C1 AT21136 [1,1,0,0,0,0|2,0,0]=4 186 B9R1.11 O=C(CO)C1=CC=CS1 AC7083 [1,1,0,0,0,0|2,0,0]=4 187 B9R1.11 O=CC(=O)C1=CSC=C1 AT16766 [1,1,0,0,0,0|0,0,1]=3 188 B9R1.41 CC1=C(C(=O)O)SN=C1 AT21154 [1,1,0,0,0,0|2,0,0]=4 189 B9R1.41 CC1=CNC=C1C(=O)O 71038 [1,1,0,0,0,0|1,0,0]=3 190 B9R1.41 CC1=COC=C1C(=O)O 72440 [1,1,0,0,0,0|0,1,0]=3 191 B9R1.41 CC1=CSC=C1C(=O)Cl AT17065 [1,1,0,0,0,0|1,0,0]=3 192 B9R1.41 NC(=O)C1=C(Br)SC=N1 C14022 [1,1,0,0,0,0|2,0,0]=4 193 B9R1.41 NC(=O)C1=NSC=C1Br D80071 [1,1,0,0,0,0|2,0,0]=4 194 B9R1.41 NC1=C(C(=O)O)N=CN1 C90485 [1,1,0,0,0,0|2,0,0]=4 195 B9R1.41 NC1=CSN=C1C(=O)O AT21158 [1,1,0,0,0,0|1,0,0]=3 196 B9R1.41 O=C(O)C1=C(Br)OC=C1 AT17113 [1,1,0,0,0,0|0,1,0]=3 197 B9R1.41 O=C(O)C1=C(Cl)N=CS1 AT15210 [1,1,0,0,0,0|2,0,0]=4 198 B9R1.41 O=C(O)C1=C(F)NN=C1 C92334 [1,1,0,0,0,0|2,0,0]=4 199 B9R1.41 O=C(O)C1=CNC=C1Br AT16233 [1,1,0,0,0,0|1,0,0]=3 200 B9R1.41 O=C(O)C1=CNN=C1I E72213 [1,1,0,0,0,0|2,0,0]=4 201 B9R1.41 O=C(O)C1=CSC=C1Cl AT14983 [1,1,0,0,0,0|0,0,0]=2 202 B9R1.41 O=C(O)C1=NSC=C1I AT21161 [1,1,0,0,0,0|1,0,0]=3 203 B9R1.41 O=C(O)C1=NSN=C1Cl D76149 [1,1,0,0,0,0|2,0,0]=4 204 B9R1.41 OB(O)C1=CSC=C1Cl AT16897 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.3 CNC1=CN=C(C(=O)O)C=C1 AT13629 [0,1,0,0,0,1|2,0,0]=4 206 B11R1.3 N#[N+]C1=CC=C(C(=O)O)C=C1 A11547 [0,1,0,0,0,1|2,0,0]=4 207 B11R1.3 O=CC1=CN=C(C(=O)O)C=C1 N13056 [0,1,0,0,0,1|2,0,0]=4 208 B11R1.21 CC1=C(O)C=CC(C(=O)O)=N1 E71908 [0,1,0,0,0,1|2,0,0]=4 209 B11R1.21 CC1=NC(C(=O)O)=CNC1=O 57159 [0,1,0,0,0,1|2,0,0]=4 210 B11R1.21 NC1=C(Cl)C=NC(C(=O)O)=C1 AT24933 [0,1,0,0,0,1|1,0,0]=3 211 B11R1.21 NC1=NC=C(C(=O)O)N=C1I P13455 [0,1,0,0,0,1|2,0,0]=4 212 B11R1.21 O=C(O)C1=CC(I)=C(O)N=C1 AC6008 [0,1,0,0,0,1|2,0,0]=4 213 B11R1.21 O=C(O)C1=CN=C(Br)C(Cl)=C1 AT10807 [0,1,0,0,0,1|1,1,0]=4 214 B11R1.21 O=C(O)C1=CN=C(Br)C(O)=C1 AT21523 [0,1,0,0,0,1|1,1,0]=4 215 B11R1.21 O=C(O)C1=NC(O)=C(F)C=C1 F51217 [0,1,0,0,0,1|1,1,0]=4 216 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 AC6089 [0,1,0,0,0,1|2,0,0]=4 217 B11R1.22 CNC(=O)C1=CN=C(Cl)N=C1 C72448 [0,1,0,0,0,1|2,0,0]=4 218 B11R1.22 COC(=O)C1=CN=C(C)N=C1 P11085 [0,1,0,0,0,1|2,0,0]=4 219 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 24831 [0,1,0,0,0,1|2,0,0]=4 220 B11R1.22 O=C(CO)C1=CC=C(O)C=C1 D87702 [0,1,0,0,0,1|2,0,0]=4 221 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 O10480 [0,1,0,0,0,1|1,0,1]=4 222 B11R1.166 CC(=O)C1=C(Br)C=C(Cl)C=N1 BL010230 [0,1,0,0,0,1|2,0,0]=4 223 B11R1.166 CC(=O)C1=NC=C(Cl)N=C1Cl 58574 [0,1,0,0,0,1|2,0,0]=4 224 B11R1.166 CC1=CC(Cl)=NC=C1C(N)=O D85781 [0,1,0,0,0,1|2,0,0]=4 225 B11R1.166 CC1=CC(F)=C(C(=O)O)C=N1 N17088 [0,1,0,0,0,1|2,0,0]=4 226 B11R1.166 CC1=CC(F)=CN=C1C(=O)O 55148 [0,1,0,0,0,1|1,1,0]=4 227 B11R1.166 CC1=CC(N)=C(C(=O)O)C=N1 25712 [0,1,0,0,0,1|2,0,0]=4 228 B11R1.166 CC1=CC=C(C(=O)O)C(Br)=N1 N12689 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.166 CC1=CN=C(C(=O)O)C(N)=N1 70364 [0,1,0,0,0,1|2,0,0]=4 230 B11R1.166 NC(=O)C1=CN=C(Cl)C=C1N AT11356 [0,1,0,0,0,1|2,0,0]=4 231 B11R1.166 NC1=C(C(=O)O)C=NC(O)=C1 35476 [0,1,0,0,0,1|2,0,0]=4 232 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O 37099 [0,1,0,0,0,1|1,1,0]=4 233 B11R1.166 NC1=CC(Cl)=C(C(=O)O)N=C1 BL010122 [0,1,0,0,0,1|2,0,0]=4 234 B11R1.166 NC1=CC(I)=C(C(=O)O)C=C1 D87628 [0,1,0,0,0,1|2,0,0]=4 235 B11R1.166 NC1=NC(N)=C(C(=O)O)C=C1 AC4722 [0,1,0,0,0,1|2,0,0]=4 236 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=N1 BL010139 [0,1,0,0,0,1|2,0,0]=4 237 B11R1.166 O=C(O)C1=C(S)C=C(Br)C=C1 AT20781 [0,1,0,0,0,1|1,1,0]=4 238 B11R1.166 O=C(O)C1=C(S)C=C(F)C=C1 AT20779 [0,1,0,0,0,1|1,1,0]=4 239 B11R1.313 O=C(O)CN1C=NC(Cl)=C1Cl AC9505 [0,1,0,0,0,1|2,0,0]=4 240 B11R1.645 CC(=O)NC1=C(Br)SC(Br)=C1 H11570 [0,1,0,0,0,1|1,1,0]=4 241 B11R1.23 CC1=CC=CC(C(=O)CO)=C1 AC3231 [0,1,0,0,0,1|2,0,0]=4 242 B11R1.23 CCC(=O)C1=CC(Cl)=NC=C1 N13049 [0,1,0,0,0,1|2,0,0]=4 243 B11R1.23 COC(=O)C1=CC(I)=NN=C1 C92378 [0,1,0,0,0,1|1,1,0]=4 244 B11R1.23 COC(=O)C1=CC(N)=NC=C1 W17825 [0,1,0,0,0,1|2,0,0]=4 245 B11R1.23 COC(=O)C1=CC(S)=NC=C1 F18003 [0,1,0,0,0,1|2,0,0]=4 246 B11R1.23 COC(=O)C1=NC=CC(O)=C1 AC3417 [0,1,0,0,0,1|2,0,0]=4 247 B11R1.23 O=C(CBr)C1=NC=CC(Cl)=C1 C16275 [0,1,0,0,0,1|2,0,0]=4 248 B11R1.23 O=C(CBr)C1=NC=NC(Cl)=C1 91057 [0,1,0,0,0,1|2,0,0]=4 249 B11R1.23 O=C(CO)C1=CC=CC(Br)=C1 AC6088 [0,1,0,0,0,1|1,1,0]=4 250 B11R1.23 O=C(CO)C1=CC=CC(F)=C1 AC5675 [0,1,0,0,0,1|1,1,0]=4 251 B11R1.23 O=CC(=O)C1=CC=CC(Cl)=C1 AB10250 [0,1,0,0,0,1|1,0,1]=4 252 B11R1.23 O\N=C(/Cl)C1=CC=CC(Cl)=C1 65906 [0,1,0,0,0,1|2,0,0]=4 253 B11R1.74 CC1=CC(Br)=NC(C(=O)O)=C1 H11547 [0,1,0,0,0,1|2,0,0]=4 254 B11R1.74 CC1=CC(C(=O)O)=CC(N)=N1 39217 [0,1,0,0,0,1|2,0,0]=4 255 B11R1.74 CC1=NC(O)=CC(C(=O)O)=N1 W10241 [0,1,0,0,0,1|2,0,0]=4 256 B11R1.74 NC(=O)C1=CC(Br)=CC(Cl)=C1 C13391 [0,1,0,0,0,1|2,0,0]=4 257 B11R1.74 NC1=CC(C(=O)O)=NC(N)=N1 D76795 [0,1,0,0,0,1|2,0,0]=4 258 B11R1.74 O=C(Cl)C1=CC(Br)=CC(Cl)=C1 75770 [0,1,0,0,0,1|2,0,0]=4 259 B11R1.74 O=C(Cl)C1=NC(Cl)=NC(Cl)=C1 F15036 [0,1,0,0,0,1|2,0,0]=4 260 B11R1.159 CC(=O)C1=C(F)C(Cl)=NC=C1 AT26683 [0,1,0,0,0,1|2,0,0]=4 261 B11R1.159 CC(=O)C1=C(F)C(Cl)=NC=N1 91061 [0,1,0,0,0,1|2,0,0]=4 262 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1I 94553 [0,1,0,0,0,1|2,0,0]=4 263 B11R1.159 CC1=C(O)C=CN=C1C(=O)O C11063 [0,1,0,0,0,1|2,0,0]=4 264 B11R1.159 CC1=C(O)N=CN=C1C(=O)O F52192 [0,1,0,0,0,1|2,0,0]=4 265 B11R1.159 CC1=CN=CC(C(=O)O)=C1O AT13143 [0,1,0,0,0,1|2,0,0]=4 266 B11R1.159 CC1=NC=CC(C(=O)O)=C1C D87767 [0,1,0,0,0,1|2,0,0]=4 267 B11R1.159 NC1=C(C(=O)O)C=CC=C1O T72518 [0,1,0,0,0,1|2,0,0]=4 268 B11R1.159 NC1=C(C(=O)O)C=CN=C1Br C11136 [0,1,0,0,0,1|1,1,0]=4 269 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=NC=N1 C16696 [0,1,0,0,0,1|1,0,0]=3 270 B11R1.159 O=C(O)C1=CC=CC(I)=C1O AT10718 [0,1,0,0,0,1|1,1,0]=4 271 B11R1.167 CC(=O)C1=C(C)C=CC(Cl)=C1 F52542 [0,1,0,0,0,1|2,0,0]=4 272 B11R1.167 CC(=O)C1=CC(Cl)=NC=C1F AT18807 [0,1,0,0,0,1|2,0,0]=4 273 B11R1.167 CC(=O)C1=CC(Cl)=NC=C1N 92761 [0,1,0,0,0,1|2,0,0]=4 274 B11R1.167 CC1=C(C(=O)Cl)C=C(Cl)C=C1 F52326 [0,1,0,0,0,1|2,0,0]=4 275 B11R1.167 CC1=C(C(N)=O)C=C(Cl)C=C1 F52323 [0,1,0,0,0,1|2,0,0]=4 276 B11R1.167 CC1=CN=C(Br)C(C(=O)O)=C1 C16185 [0,1,0,0,0,1|2,0,0]=4 277 B11R1.167 NC(=O)C1=C(Br)C=NC(Cl)=C1 AT22391 [0,1,0,0,0,1|2,0,0]=4 278 B11R1.167 NC(=O)C1=CC(Cl)=NC=C1Cl F12412 [0,1,0,0,0,1|2,0,0]=4 279 B11R1.167 NC1=CC(C(=O)O)=C(F)C=N1 97786 [0,1,0,0,0,1|2,0,0]=4 280 B11R1.167 NC1=CN=C(F)C=C1C(=O)O W19653 [0,1,0,0,0,1|1,1,0]=4 281 B11R1.167 O=C(O)C1=C(S)C=CC(Br)=C1 S10260 [0,1,0,0,0,1|1,1,0]=4 282 B11R1.167 O=C(O)C1=C(S)C=CC(Cl)=C1 AT20778 [0,1,0,0,0,1|1,0,0]=3 283 B11R1.167 O=C(O)C1=CC(I)=CN=C1F 98093 [0,1,0,0,0,1|1,1,0]=4 284 B11R1.266 CCC1=NC=CC(C(=O)O)=C1 AC8491 [0,1,0,0,0,1|2,0,0]=4 285 B11R1.266 CNC1=NC=CC(C(=O)O)=C1 AT13630 [0,1,0,0,0,1|2,0,0]=4 286 B11R1.266 NCC1=NC=CC(C(=O)O)=C1 AT13155 [0,1,0,0,0,1|2,0,0]=4 287 B11R1.266 NNC1=NC=CC(C(=O)O)=C1 P10527 [0,1,0,0,0,1|2,0,0]=4 288 B11R1.266 O=CC1=CC(C(=O)O)=CN=C1 AT13148 [0,1,0,0,0,1|2,0,0]=4 289 B11R1.15 CCOC(=O)C1=CC(Cl)=CN1 68050 [0,2,0,0,0,0|2,0,0]=4 290 B11R1.15 CCOC(=O)C1=CSC(=S)N1 W17120 [0,2,0,0,0,0|2,0,0]=4 291 B11R1.15 CCOC(=O)C1=NOC(Cl)=C1 AT22370 [0,2,0,0,0,0|1,1,0]=4 292 B11R1.15 CCOC(=O)C1=NSC(Br)=C1 AT25966 [0,2,0,0,0,0|1,1,0]=4 293 B11R1.44 COC(=O)C1=CNC(C=O)=C1 D85282 [0,2,0,0,0,0|2,0,0]=4 294 B11R1.44 COC(=O)C1=COC(C=O)=C1 AT20020 [0,2,0,0,0,0|1,1,0]=4 295 B11R1.44 COC(=O)C1=COC(CCl)=C1 AT17456 [0,2,0,0,0,0|0,1,0]=3 296 B11R1.225 CC1=CC(C(=O)CO)=C(C)S1 AC4311 [0,2,0,0,0,0|1,0,0]=3 297 B11R1.225 COC(=O)C1=C(C)SC(Cl)=N1 F12363 [0,2,0,0,0,0|1,0,0]=3 298 B11R1.225 NCC(=O)C1=C(Br)SC(Br)=C1 AC1510 [0,2,0,0,0,0|1,1,0]=4 299 B11R1.226 COC(=O)C1=CC(Br)=C(Cl)N1 AC8289 [0,2,0,0,0,0|2,0,0]=4 300 B11R1.226 COC(=O)C1=CC(Cl)=C(Cl)N1 72393 [0,2,0,0,0,0|2,0,0]=4 301 B11R1.226 COC(=O)C1=CC(N)=C(Cl)S1 24651 [0,2,0,0,0,0|2,0,0]=4 302 B11R1.226 COC(=O)C1=CN(C)C(Br)=C1 C91431 [0,2,0,0,0,0|1,1,0]=4 303 B11R1.50 CSC1=CC(C(=O)O)=C(C)O1 AT17304 [0,2,0,0,0,0|1,1,0]=4 304 B11R1.124 COCC1=NC(C(=O)O)=CS1 C77639 [0,2,0,0,0,0|2,0,0]=4 305 B11R1.175 O=C(O)C1=COC(C(F)F)=C1 AT17243 [0,2,0,0,0,0|0,2,0]=4 306 B11R1.646 CC1=C(S(=O)(=O)Cl)C=C(Cl)S1 AT16966 [0,2,0,0,0,0|1,0,1]=4 307 B11R1.49 CCC1=C(C(=O)O)N=C(Cl)S1 80817 [0,2,0,0,0,0|1,0,0]=3 308 B11R1.673 CC1=C(Br)C(C(=O)O)=C(C)O1 D86964 [0,2,0,0,0,0|1,1,0]=4 309 B11R1.673 CC1=C(C)C(C(=O)O)=C(C)O1 AT17504 [0,2,0,0,0,0|1,1,0]=4 310 B9R1.6 O=[13C](O)C1=CC=CC=C1 F13987 [0,0,1,1,0,0|2,0,0]=4 311 B9R1.2 CC1=CC(C=O)=NC=N1 AT18315 [1,0,0,0,0,1|2,0,0]=4 312 B9R1.2 NC1=NC=CC(C=O)=C1 O10660 [1,0,0,0,0,1|2,0,0]=4 313 B9R1.2 O=CC1=CC(I)=CN=C1 H10413 [1,0,0,0,0,1|1,1,0]=4 314 B9R1.13 CC(=O)CC1=CSC=C1 66590 [1,0,0,0,0,1|1,0,0]=3 315 B9R1.13 C[C@H](O)CC1=CSC=C1 58210 [1,0,0,0,0,1|1,0,1]=4 316 B9R1.13 C[C@H](O)CC1=CSC=C1 58214 [1,0,0,0,0,1|1,0,1]=4 317 B9R1.13 C[C@H](O)CC1=CSC=C1 58218 [1,0,0,0,0,1|1,0,1]=4 318 B9R1.13 O=C(O)CC1=CC=NN1 79593 [1,0,0,0,0,1|2,0,0]=4 319 B9R1.13 O=C(O)CC1=CNN=C1 AT16113 [1,0,0,0,0,1|2,0,0]=4 320 B9R1.13 O=C(O)CC1=CSC=N1 AC3265 [1,0,0,0,0,1|1,0,0]=3 321 B11R1.75 CC1=NC(CCC(=O)O)=CS1 AT24339 [0,0,0,0,0,2|2,0,0]=4 322 B11R1.75 CC1=NC(CCC(=O)O)=CS1 AT24340 [0,0,0,0,0,2|2,0,0]=4 323 B11R1.157 CC1=CC(CC(=O)O)=NC=N1 C91524 [0,0,0,0,0,2|2,0,0]=4 324 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 N10485 [0,0,0,0,0,2|2,0,0]=4 325 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 Y10709 [0,0,0,0,0,2|2,0,0]=4 326 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 AT23257 [0,0,0,0,0,2|1,1,0]=4