0 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS20414 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)C1=CC(Br)=NO1 MC431138 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 CC(=O)C1=CC(C)=NO1 MC427423 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 CC(=O)C1=CC(C)=NS1 MC106270 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CC(=O)C1=CC(Cl)=CS1 CS21207 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 CC(=O)C1=CC(N)=NN1 MC103419 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 CC(=O)C1=CC=C(Br)O1 CS20429 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 CC(=O)C1=CC=C(C)S1 CS20396 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 CC(=O)C1=CC=C(Cl)S1 CS21209 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.35 CC(=O)C1=CN=C(Br)S1 CS17877 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.35 CC(=O)C1=CSC(Br)=C1 CS12338 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.35 CC(=O)C1=CSC(N)=N1 CS20386 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.35 CC(=O)C1=NC(C)=CO1 CS16603 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.35 CC(=O)C1=NN(C)C=C1 MC104385 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.35 CC(=O)C1=NOC(C)=C1 CS20434 [0,0,0,0,0,0|2,1,0]=3 15 B9R1.35 CC(N)C1=CSC(Cl)=C1 MC104598 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.35 CC1=CC(C(=O)O)=CN1 CS15830 [0,0,0,0,0,0|1,0,0]=1 17 B9R1.35 CC1=CC(C(=O)O)=NN1 CS10435 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.35 CC1=CC(C(N)=O)=NO1 CS10575 [0,0,0,0,0,0|2,1,0]=3 19 B9R1.35 CC1=CC([N+](=O)[O-])=NN1 CS12585 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.35 CC1=CC=C(C(=O)O)O1 CS19440 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.35 CC1=CC=C(C(=O)O)S1 CS23027 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.35 CC1=CN=C(C(=O)O)O1 MC429957 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.35 CC1=COC(C(=O)O)=C1 MC104342 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.35 CC1=COC(C(=O)O)=N1 MC104071 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.35 CC1=CSC(B(O)O)=C1 MC430054 [0,0,0,0,0,0|3,0,1]=4 26 B9R1.35 CC1=NC(C(=O)[O-])=NO1 MC114548 [0,0,0,0,0,0|2,1,1]=4 27 B9R1.35 CC1=NC=C(C(=O)O)O1 MC102213 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.35 CC1=NC=C(C(=O)O)S1 CS21657 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.35 CC1=NN=C(C(=O)[O-])O1 CS10429 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.35 CC1=NN=C(C(=O)[O-])S1 CS18089 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.35 CC1=NNC(C(=O)O)=N1 MC431349 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.35 CC1=NNC([N+](=O)[O-])=C1 CS13573 [0,0,0,0,0,0|3,0,1]=4 33 B9R1.35 CC1=NOC(C(=O)O)=C1 CS22370 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.35 CC1=NOC(C(=O)[O-])=N1 MC114547 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.35 CC1=NSC(C(=O)O)=C1 MC112963 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.35 CN1C=C(B(O)O)C=N1 CS20753 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.35 CN1C=C(C(=O)O)C=N1 CS19177 [0,0,0,0,0,0|2,0,0]=2 38 B9R1.35 CN1C=C([N+](=O)[O-])C=N1 CS13475 [0,0,0,0,0,0|3,0,1]=4 39 B9R1.35 CN1C=CC(C(=O)O)=C1 MC441014 [0,0,0,0,0,0|2,0,0]=2 40 B9R1.35 CN1C=CC(C(=O)O)=N1 CS18190 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.35 CN1C=NC(C(=O)O)=C1 CS20746 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.35 CN1C=NC(C(N)=O)=C1 CS12656 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.35 Cc1coc(C(=O)O)c1 MC104343 [0,0,0,0,0,0|2,0,0]=2 44 B9R1.35 FC(F)C1=CSC(Br)=C1 MC432444 [0,0,0,0,0,0|3,0,1]=4 45 B9R1.35 NC(=O)C1=CC=C(Br)N1 MC102124 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.35 NC(=O)C1=CC=C(Br)O1 MC432199 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.35 NC(=O)C1=CN=C(Br)S1 MC443285 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.35 NC(=O)C1=CSC(N)=N1 CS19529 [0,0,0,0,0,0|3,0,0]=3 49 B9R1.35 NC1=CN=C(C(=O)O)S1 MC104625 [0,0,0,0,0,0|4,0,0]=4 50 B9R1.35 NC1=CN=C(C(=O)O)S1 MC115724 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.35 NC1=NC(C(=O)O)=CN1 CS12779 [0,0,0,0,0,0|3,0,0]=3 52 B9R1.35 NC1=NC(C(=O)O)=CS1 CS22582 [0,0,0,0,0,0|2,0,0]=2 53 B9R1.35 NC1=NC=C(C(=O)O)S1 CS18292 [0,0,0,0,0,0|3,0,0]=3 54 B9R1.35 NC1=NN=C(C(=O)O)S1 CS15409 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 MC21110 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 MC443881 [0,0,0,0,0,0|4,0,0]=4 57 B9R1.35 O=C(O)C1=CC(Br)=CN1 CS22700 [0,0,0,0,0,0|3,0,0]=3 58 B9R1.35 O=C(O)C1=CC(Br)=CO1 CS10558 [0,0,0,0,0,0|3,0,0]=3 59 B9R1.35 O=C(O)C1=CC(Br)=CS1 CS22681 [0,0,0,0,0,0|3,0,0]=3 60 B9R1.35 O=C(O)C1=CC(Br)=NO1 CS22178 [0,0,0,0,0,0|3,0,0]=3 61 B9R1.35 O=C(O)C1=CC(O)=NO1 CS13360 [0,0,0,0,0,0|3,0,0]=3 62 B9R1.35 O=C(O)C1=CC=C(Br)N1 CS16375 [0,0,0,0,0,0|3,0,0]=3 63 B9R1.35 O=C(O)C1=CC=C(Br)O1 CS22685 [0,0,0,0,0,0|3,0,0]=3 64 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS17287 [0,0,0,0,0,0|3,0,0]=3 65 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS10327 [0,0,0,0,0,0|3,0,0]=3 66 B9R1.35 O=C(O)C1=CC=C(Cl)S1 CS17350 [0,0,0,0,0,0|3,0,0]=3 67 B9R1.35 O=C(O)C1=CN=C(Br)O1 CS17421 [0,0,0,0,0,0|3,0,0]=3 68 B9R1.35 O=C(O)C1=COC(Br)=N1 CS15537 [0,0,0,0,0,0|2,1,0]=3 69 B9R1.35 O=C(O)C1=CSC(Br)=C1 MC441053 [0,0,0,0,0,0|1,0,0]=1 70 B9R1.35 O=C(O)C1=CSC(Br)=N1 CS15291 [0,0,0,0,0,0|2,0,0]=2 71 B9R1.35 O=C(O)C1=CSC(Cl)=C1 CS10357 [0,0,0,0,0,0|1,0,0]=1 72 B9R1.35 O=C(O)C1=CSC(Cl)=N1 CS21424 [0,0,0,0,0,0|2,0,0]=2 73 B9R1.35 O=C(O)C1=CSC(F)=C1 MC105198 [0,0,0,0,0,0|1,0,0]=1 74 B9R1.35 O=C(O)C1=NC(Br)=CS1 MC431678 [0,0,0,0,0,0|4,0,0]=4 75 B9R1.35 O=C(O)C1=NC=C(Br)S1 MC428239 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.35 O=C(O)C1=NC=C(Cl)S1 MC432453 [0,0,0,0,0,0|4,0,0]=4 77 B9R1.35 O=C(O)C1=NNC(Br)=N1 CS12373 [0,0,0,0,0,0|4,0,0]=4 78 B9R1.35 O=C(O)C1=NNC(Cl)=C1 CS10316 [0,0,0,0,0,0|3,0,0]=3 79 B9R1.35 O=C(O)c1cc(F)cs1 MC430853 [0,0,0,0,0,0|3,0,0]=3 80 B9R1.35 O=C1NC(C(=O)O)CS1 MC438059 [0,0,0,0,0,0|2,0,2]=4 81 B8R1.1 C#CC1=CSC(Cl)=C1 MC104599 [1,0,0,0,0,0|2,0,1]=4 82 B8R1.1 CC1=CC(C=O)=CS1 MC443650 [1,0,0,0,0,0|0,0,0]=1 83 B8R1.1 CC1=CC(CO)=NN1 CS17779 [1,0,0,0,0,0|2,0,1]=4 84 B8R1.1 CC1=CC=C(C=O)N1 CS10436 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.1 CC1=CC=C(C=O)S1 MC20284 [1,0,0,0,0,0|2,0,0]=3 86 B8R1.1 CC1=CN=C(C=O)S1 MC425517 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.1 CC1=COC(C=O)=C1 MC104341 [1,0,0,0,0,0|2,0,0]=3 88 B8R1.1 CC1=COC(C=O)=N1 MC104070 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.1 CC1=CSC(C=O)=N1 MC431095 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.1 CC1=NC(C#N)=CS1 MC106832 [1,0,0,0,0,0|2,0,1]=4 91 B8R1.1 CC1=NC(CCl)=CS1 MC442177 [1,0,0,0,0,0|2,0,1]=4 92 B8R1.1 CC1=NC(CO)=CS1 MC430697 [1,0,0,0,0,0|1,0,1]=3 93 B8R1.1 CC1=NC=C(C=O)S1 MC21171 [1,0,0,0,0,0|2,0,0]=3 94 B8R1.1 CC1=NSC(C=O)=C1 MC116147 [1,0,0,0,0,0|2,0,0]=3 95 B8R1.1 CN1C=C(C=O)C=N1 CS18189 [1,0,0,0,0,0|2,0,0]=3 96 B8R1.1 CN1C=C(CO)C=N1 CS19818 [1,0,0,0,0,0|2,0,1]=4 97 B8R1.1 CN1C=CC(C=O)=N1 CS18204 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.1 N#CC1=CSC(Br)=C1 MC104029 [1,0,0,0,0,0|2,0,1]=4 99 B8R1.1 NC1=NC(CO)=CS1 CS14646 [1,0,0,0,0,0|2,0,1]=4 100 B8R1.1 NC1=NC=C(C=O)S1 CS21279 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.1 O=CC1=CC(Br)=CN1 CS14432 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.1 O=CC1=CC(Br)=CO1 CS22678 [1,0,0,0,0,0|3,0,0]=4 103 B8R1.1 O=CC1=CC(Br)=CS1 CS22689 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.1 O=CC1=CC(Cl)=CN1 MC104758 [1,0,0,0,0,0|3,0,0]=4 105 B8R1.1 O=CC1=CC(F)=CS1 MC114664 [1,0,0,0,0,0|3,0,0]=4 106 B8R1.1 O=CC1=CC(I)=CS1 CS16582 [1,0,0,0,0,0|3,0,0]=4 107 B8R1.1 O=CC1=CC=C(Br)S1 CS18323 [1,0,0,0,0,0|3,0,0]=4 108 B8R1.1 O=CC1=CC=C(I)O1 MC430408 [1,0,0,0,0,0|3,0,0]=4 109 B8R1.1 O=CC1=CSC(Br)=C1 MC103292 [1,0,0,0,0,0|1,0,0]=2 110 B8R1.1 O=CC1=CSC(Br)=N1 CS15326 [1,0,0,0,0,0|2,0,0]=3 111 B8R1.1 OCC1=CSC(Br)=N1 CS15600 [1,0,0,0,0,0|2,0,1]=4 112 B8R1.1 OCC1=CSC(Cl)=C1 MC102400 [1,0,0,0,0,0|1,0,1]=3 113 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [1,0,0,0,0,0|3,0,0]=4 114 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [1,0,0,0,0,0|3,0,0]=4 115 B8R1.7 CC(=O)C1=CC=NO1 CS15344 [1,0,0,0,0,0|3,0,0]=4 116 B8R1.7 CC(=O)C1=CNC=N1 CS20378 [1,0,0,0,0,0|3,0,0]=4 117 B8R1.7 CC(=O)C1=CSC=C1 CS18739 [1,0,0,0,0,0|1,0,0]=2 118 B8R1.7 CC(=O)C1=CSC=N1 CS13244 [1,0,0,0,0,0|2,0,0]=3 119 B8R1.7 CC(=O)C1=NNC=C1 CS13441 [1,0,0,0,0,0|3,0,0]=4 120 B8R1.7 CC(=O)C1=NOC=C1 MC116141 [1,0,0,0,0,0|2,1,0]=4 121 B8R1.7 CC(=O)N1C=CN=C1 MC428372 [1,0,0,0,0,0|3,0,0]=4 122 B8R1.7 NC(=O)C1=COC=N1 CS11829 [1,0,0,0,0,0|2,1,0]=4 123 B8R1.7 NC(=O)C1=NNC=C1 CS12173 [1,0,0,0,0,0|3,0,0]=4 124 B8R1.7 O=C(Cl)C1=NOC=C1 MC106027 [1,0,0,0,0,0|2,1,0]=4 125 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [1,0,0,0,0,0|2,0,0]=3 126 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [1,0,0,0,0,0|2,0,0]=3 127 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [1,0,0,0,0,0|2,0,0]=3 128 B8R1.7 O=C(O)C1=CC=NO1 CS15566 [1,0,0,0,0,0|2,0,0]=3 129 B8R1.7 O=C(O)C1=CN=CS1 CS15551 [1,0,0,0,0,0|2,0,0]=3 130 B8R1.7 O=C(O)C1=CNC=C1 CS16294 [1,0,0,0,0,0|1,0,0]=2 131 B8R1.7 O=C(O)C1=CNC=N1 CS19657 [1,0,0,0,0,0|2,0,0]=3 132 B8R1.7 O=C(O)C1=CNN=C1 CS19027 [1,0,0,0,0,0|2,0,0]=3 133 B8R1.7 O=C(O)C1=CNN=N1 CS20475 [1,0,0,0,0,0|3,0,0]=4 134 B8R1.7 O=C(O)C1=COC=C1 CS14540 [1,0,0,0,0,0|0,1,0]=2 135 B8R1.7 O=C(O)C1=COC=N1 MC441322 [1,0,0,0,0,0|1,1,0]=3 136 B8R1.7 O=C(O)C1=CON=C1 MC428244 [1,0,0,0,0,0|1,1,0]=3 137 B8R1.7 O=C(O)C1=CSC=C1 CS22727 [1,0,0,0,0,0|0,0,0]=1 138 B8R1.7 O=C(O)C1=CSC=N1 CS10126 [1,0,0,0,0,0|1,0,0]=2 139 B8R1.7 O=C(O)C1=CSN=C1 CS22713 [1,0,0,0,0,0|1,0,0]=2 140 B8R1.7 O=C(O)C1=NC=CN1 CS19852 [1,0,0,0,0,0|3,0,0]=4 141 B8R1.7 O=C(O)C1=NC=CO1 MC106568 [1,0,0,0,0,0|3,0,0]=4 142 B8R1.7 O=C(O)C1=NC=CS1 MC425486 [1,0,0,0,0,0|3,0,0]=4 143 B8R1.7 O=C(O)C1=NNC=C1 CS18779 [1,0,0,0,0,0|2,0,0]=3 144 B8R1.7 O=C(O)C1=NOC=C1 CS18235 [1,0,0,0,0,0|1,1,0]=3 145 B8R1.7 O=C(O)C1=NON=C1 CS20479 [1,0,0,0,0,0|2,1,0]=4 146 B8R1.7 O=C(O)C1=NSC=C1 MC113170 [1,0,0,0,0,0|1,0,0]=2 147 B8R1.7 O=C(O)C1C=CCN1 MC436934 [1,0,0,0,0,0|2,0,1]=4 148 B8R1.7 O=C(O)C1C=CCN1 MC436935 [1,0,0,0,0,0|2,0,1]=4 149 B8R1.7 O=[N+]([O-])C1=CNC=C1 CS22386 [1,0,0,0,0,0|2,0,1]=4 150 B8R1.7 OB(O)C1=CNC=C1 MC113852 [1,0,0,0,0,0|2,0,1]=4 151 B8R1.7 OB(O)C1=COC=C1 CS15915 [1,0,0,0,0,0|1,1,1]=4 152 B8R1.7 OB(O)C1=CSC=C1 CS22585 [1,0,0,0,0,0|1,0,1]=3 153 B8R1.7 OB(O)C1=CSC=N1 MC113501 [1,0,0,0,0,0|2,0,1]=4 154 B8R1.7 OB(O)C1=CSN=C1 MC107356 [1,0,0,0,0,0|2,0,1]=4 155 B10R1.14 CC1=NOC(C(=O)CBr)=C1 CS11313 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.14 CCC(=O)C1=CC=C(C)O1 MC41697 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.14 COC(=O)C1=CC(Br)=CN1 CS16309 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.14 COC(=O)C1=CC(Br)=CO1 CS11686 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.14 COC(=O)C1=CC(Br)=CS1 CS11641 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.14 COC(=O)C1=CC(F)=CN1 CS15647 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.14 COC(=O)C1=CC(O)=NO1 CS11625 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.14 COC(=O)C1=CC=C(Br)N1 CS13213 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.14 COC(=O)C1=CC=C(Br)O1 CS19025 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.14 COC(=O)C1=CC=C(Br)S1 CS10309 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.14 COC(=O)C1=CC=C(Cl)O1 MC41693 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.14 COC(=O)C1=CC=C(Cl)S1 CS17193 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.14 COC(=O)C1=CN(C)C=N1 CS20747 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.14 COC(=O)C1=CN=C(Br)S1 CS17469 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.14 COC(=O)C1=CN=C(Cl)S1 CS15219 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.14 COC(=O)C1=CN=C(N)S1 CS17987 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.14 COC(=O)C1=CNC(Br)=C1 MC428134 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.14 COC(=O)C1=COC(C)=N1 CS19368 [0,1,0,0,0,0|1,1,0]=3 173 B10R1.14 COC(=O)C1=COC(Cl)=N1 CS12427 [0,1,0,0,0,0|2,1,0]=4 174 B10R1.14 COC(=O)C1=COC(I)=N1 CS17605 [0,1,0,0,0,0|2,1,0]=4 175 B10R1.14 COC(=O)C1=CSC(Br)=C1 MC441052 [0,1,0,0,0,0|1,0,0]=2 176 B10R1.14 COC(=O)C1=CSC(Br)=N1 CS17463 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.14 COC(=O)C1=CSC(N)=N1 CS22767 [0,1,0,0,0,0|2,0,0]=3 178 B10R1.14 COC(=O)C1=NC(C)=CS1 CS11649 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.14 COC(=O)C1=NC(C)=NS1 MC42244 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.14 COC(=O)C1=NC=C(C)S1 MC20969 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.14 COC(=O)C1=NN(C)N=C1 MC113395 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.14 COC(=O)C1=NN=C(C)O1 CS15328 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.14 COC(=O)C1=NNC(Br)=C1 CS16329 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.14 COC(=O)C1=NNC(I)=C1 MC105672 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.14 COC(=O)C1=NNC(O)=C1 MC106662 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.14 COC(=O)C1=NOC(C)=C1 MC33072 [0,1,0,0,0,0|1,1,0]=3 187 B10R1.31 N#CC1=CC=C(C(=O)O)O1 MC114976 [0,1,0,0,0,0|2,0,1]=4 188 B10R1.31 N#CC1=CC=C(C(=O)O)S1 CS14026 [0,1,0,0,0,0|2,0,1]=4 189 B10R1.31 O=C(O)C1=CC(CO)=NN1 MC432486 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.31 O=C(O)C1=CC=C(CO)O1 CS19449 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.31 O=C(O)C1=CSC(CO)=N1 MC31089 [0,1,0,0,0,0|1,0,0]=2 192 B10R1.31 O=C(O)C1=NOC(CO)=C1 MC107744 [0,1,0,0,0,0|1,1,0]=3 193 B10R1.31 O=CC1=CC=C(C(=O)O)S1 MC41685 [0,1,0,0,0,0|2,0,1]=4 194 B10R1.31 O=Cc1ccc(C(=O)O)o1 CS18919 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 CS16987 [0,1,0,0,0,0|3,0,0]=4 196 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 CS15301 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.58 CC1=C(C)SC(C(=O)O)=N1 MC425658 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.58 CN1N=C(C(=O)O)C=C1Br MC443314 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.58 CN1N=C(C(=O)O)C=C1Cl MC100365 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.58 CN1N=C(C(=O)O)C=C1N MC102000 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 CS21776 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 CS17233 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)S1 CS22495 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 CS20462 [0,1,0,0,0,0|1,0,0]=2 205 B10R1.59 CC(=O)C1=CC(C)=NN1C CS16943 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.59 CC1=C(C(=O)O)N=C(Br)S1 CS14381 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.59 CC1=C(C(=O)O)N=C(Cl)S1 MC115914 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.59 CC1=C(C(=O)O)NC(Br)=N1 MC105968 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.59 CC1=C(C(=O)O)SC(Br)=C1 MC442190 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 CS21361 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 CS21256 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.59 CC1=C(C(=O)O)SC(O)=N1 CS12601 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.59 CC1=C(C(N)=O)N=C(Br)S1 MC432526 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.59 CC1=NC(C(=O)O)=C(Br)O1 MC113285 [0,1,0,0,0,0|1,1,0]=3 215 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 CS13168 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 CS10099 [0,1,0,0,0,0|2,0,0]=3 217 B10R1.59 CC1=NN(C)C=C1C(=O)O CS12794 [0,1,0,0,0,0|2,0,0]=3 218 B10R1.59 CN1C=C(Br)C(C(=O)O)=N1 CS22732 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.59 CN1N=C(Br)C=C1C(=O)O MC106333 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.59 NC1=NC(C(=O)O)=C(Cl)S1 MC107862 [0,1,0,0,0,0|2,0,0]=3 221 B10R1.59 NC1=NC(Cl)=C(C(=O)O)S1 MC110584 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.59 O=C(O)C1=C(Br)N=C(Br)S1 CS10581 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.59 O=C(O)C1=C(Br)SC(Br)=C1 MC441262 [0,1,0,0,0,0|1,0,0]=2 224 B10R1.59 O=C(O)C1=C(Br)SC(Br)=N1 MC443241 [0,1,0,0,0,0|2,0,0]=3 225 B10R1.59 O=C(O)C1=C(Cl)SC(Br)=C1 MC441012 [0,1,0,0,0,0|1,0,0]=2 226 B10R1.59 O=C(O)C1=C(Cl)SC(Cl)=C1 CS17244 [0,1,0,0,0,0|1,0,0]=2 227 B10R1.59 O=C(O)C1=C(Cl)SC(Cl)=N1 CS12412 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.59 O=C(O)C1=C(F)C=C(Br)S1 MC430778 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.59 O=[N+]([O-])C1=C(Br)SC(Br)=C1 MC427252 [0,1,0,0,0,0|2,0,1]=4 230 B10R1.59 OB(O)C1=C(Cl)SC(Cl)=C1 MC442732 [0,1,0,0,0,0|2,0,1]=4 231 B10R1.194 CC(=O)C1=CNC(Br)=C1C MC442582 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.194 CC1=C(C(=O)O)C=NN1C CS20547 [0,1,0,0,0,0|2,0,0]=3 233 B10R1.194 CC1=C(C(=O)O)NN=C1Br CS17381 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.194 CC1=C(C(=O)O)SC=C1Br MC21121 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.194 CC1=CNC(C(=O)O)=C1C CS16854 [0,1,0,0,0,0|2,0,0]=3 236 B10R1.194 CC1=CSC(C(=O)O)=C1N CS22070 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.194 CC1=NNC(C(=O)O)=C1C CS13567 [0,1,0,0,0,0|2,0,0]=3 238 B10R1.194 CC1=NNC(C(=O)O)=C1O MC106331 [0,1,0,0,0,0|2,0,0]=3 239 B10R1.194 CC1=NSC(C(=O)O)=C1Br MC116148 [0,1,0,0,0,0|2,0,0]=3 240 B10R1.194 CN1C(Br)=CC=C1C(=O)O CS12581 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.194 NC1=NNC(C(=O)O)=C1Cl CS15067 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.194 O=C(O)C1=C(F)C(F)=CN1 MC104432 [0,1,0,0,0,0|3,0,0]=4 243 B8R0.28 CN(C)C\C=C\C(=O)O CS15971 [0,0,1,0,0,0|2,0,1]=4 244 B8R0.28 CN(C)C\C=C\C(=O)O CS16134 [0,0,1,0,0,0|2,0,1]=4 245 B8R0.28 CN(C)C\C=C\C(=O)O CS17703 [0,0,1,0,0,0|2,0,1]=4 246 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [0,0,0,0,0,1|3,0,0]=4 247 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 CS17999 [0,0,0,0,0,1|3,0,0]=4 248 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [0,0,0,0,0,1|2,0,0]=3 249 B10R1.13 CC(=O)C1=CC=C(C)N=N1 MC112296 [0,0,0,0,0,1|3,0,0]=4 250 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [0,0,0,0,0,1|3,0,0]=4 251 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS19687 [0,0,0,0,0,1|3,0,0]=4 252 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [0,0,0,0,0,1|3,0,0]=4 253 B10R1.13 CC(=O)C1=CC=C(F)N=C1 CS16982 [0,0,0,0,0,1|3,0,0]=4 254 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [0,0,0,0,0,1|3,0,0]=4 255 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [0,0,0,0,0,1|3,0,0]=4 256 B10R1.13 CC(=O)C1=CC=C(O)N=C1 CS12692 [0,0,0,0,0,1|3,0,0]=4 257 B10R1.13 CC(=O)C1=CN=C(C)C=C1 MC428167 [0,0,0,0,0,1|2,0,0]=3 258 B10R1.13 CC(=O)C1=CN=C(C)N=C1 MC444074 [0,0,0,0,0,1|2,0,0]=3 259 B10R1.13 CC(=O)C1=CN=C(N)N=C1 CS17494 [0,0,0,0,0,1|3,0,0]=4 260 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CS16977 [0,0,0,0,0,1|3,0,0]=4 261 B10R1.13 CC(=O)C1=NC=C(C)C=C1 MC443649 [0,0,0,0,0,1|2,0,0]=3 262 B10R1.13 CC(=O)C1=NC=C(C)N=C1 MC444078 [0,0,0,0,0,1|2,0,0]=3 263 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 CS16979 [0,0,0,0,0,1|3,0,0]=4 264 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 CS14519 [0,0,0,0,0,1|3,0,0]=4 265 B10R1.13 CC(=O)C1=NC=C(F)C=C1 MC106404 [0,0,0,0,0,1|3,0,0]=4 266 B10R1.13 CC(=O)C1=NC=C(N)C=C1 MC442802 [0,0,0,0,0,1|3,0,0]=4 267 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [0,0,0,0,0,1|3,0,0]=4 268 B10R1.13 CC1=CC=C(B(O)O)C=C1 CS10128 [0,0,0,0,0,1|2,0,1]=4 269 B10R1.13 CC1=CC=C(B(O)O)C=N1 CS18413 [0,0,0,0,0,1|2,0,1]=4 270 B10R1.13 CC1=CC=C(C(=N)N)C=C1 CS20439 [0,0,0,0,0,1|3,0,0]=4 271 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 MC40494 [0,0,0,0,0,1|2,0,0]=3 272 B10R1.13 CC1=CC=C(C(=O)O)C=C1 MC40304 [0,0,0,0,0,1|1,0,0]=2 273 B10R1.13 CC1=CC=C(C(N)=O)C=C1 CS11895 [0,0,0,0,0,1|2,0,0]=3 274 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 CS11896 [0,0,0,0,0,1|2,0,1]=4 275 B10R1.13 CC1=CC=C(S(N)=O)C=C1 CS18822 [0,0,0,0,0,1|3,0,0]=4 276 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS10458 [0,0,0,0,0,1|1,0,0]=2 277 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS17310 [0,0,0,0,0,1|1,0,0]=2 278 B10R1.13 CC1=CN=C(C(=O)O)C=N1 CS19370 [0,0,0,0,0,1|1,0,0]=2 279 B10R1.13 CC1=CN=C(C(=O)O)N=C1 CS21764 [0,0,0,0,0,1|2,0,0]=3 280 B10R1.13 CC1=CN=C([N+](=O)[O-])C=C1 CS21713 [0,0,0,0,0,1|2,0,1]=4 281 B10R1.13 CC1=NC=C(B(O)O)C=N1 MC113822 [0,0,0,0,0,1|2,0,1]=4 282 B10R1.13 CC1=NC=C(C(=O)O)C=C1 CS20324 [0,0,0,0,0,1|1,0,0]=2 283 B10R1.13 CC1=NC=C(C(=O)O)C=N1 CS21698 [0,0,0,0,0,1|1,0,0]=2 284 B10R1.13 CC1=NC=C(C(N)=O)C=C1 CS18427 [0,0,0,0,0,1|2,0,0]=3 285 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 CS19359 [0,0,0,0,0,1|2,0,1]=4 286 B10R1.13 CC1=NC=C([N+](=O)[O-])C=N1 MC104165 [0,0,0,0,0,1|2,0,1]=4 287 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS10426 [0,0,0,0,0,1|3,0,0]=4 288 B10R1.13 NC(=O)C1=CN=C(N)C=C1 MC425266 [0,0,0,0,0,1|3,0,0]=4 289 B10R1.13 NC(=O)C1=CNC(=O)C=C1 MC427340 [0,0,0,0,0,1|3,0,0]=4 290 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 MC41603 [0,0,0,0,0,1|3,0,0]=4 291 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 MC33351 [0,0,0,0,0,1|3,0,0]=4 292 B10R1.13 NC(=O)C1=NC=C(Cl)N=C1 CS10571 [0,0,0,0,0,1|3,0,0]=4 293 B10R1.13 NC(=O)C1=NC=C(F)C=C1 CS16336 [0,0,0,0,0,1|3,0,0]=4 294 B10R1.13 NC(=O)C1=NC=C(N)C=C1 CS10223 [0,0,0,0,0,1|3,0,0]=4 295 B10R1.13 NC1=CC=C(C(=O)O)C=C1 MC40224 [0,0,0,0,0,1|2,0,0]=3 296 B10R1.13 NC1=CC=C(C(=O)O)N=N1 MC444236 [0,0,0,0,0,1|3,0,0]=4 297 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 CS22580 [0,0,0,0,0,1|2,0,1]=4 298 B10R1.13 NC1=CN=C(C(=O)O)C=C1 CS19367 [0,0,0,0,0,1|2,0,0]=3 299 B10R1.13 NC1=CN=C(C(=O)O)C=N1 CS14292 [0,0,0,0,0,1|2,0,0]=3 300 B10R1.13 NC1=CN=C(C(=O)O)N=C1 MC115893 [0,0,0,0,0,1|3,0,0]=4 301 B10R1.13 NC1=NC=C(C(=O)O)C=C1 CS19354 [0,0,0,0,0,1|2,0,0]=3 302 B10R1.13 NC1=NC=C(C(=O)O)C=N1 CS18230 [0,0,0,0,0,1|2,0,0]=3 303 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 MC40440 [0,0,0,0,0,1|3,0,0]=4 304 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 MC40474 [0,0,0,0,0,1|3,0,0]=4 305 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 MC433701 [0,0,0,0,0,1|3,0,0]=4 306 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 CS20082 [0,0,0,0,0,1|2,0,0]=3 307 B10R1.13 O=C(O)C1=CC=C(Br)N=N1 MC431375 [0,0,0,0,0,1|3,0,0]=4 308 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS15821 [0,0,0,0,0,1|2,0,0]=3 309 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 MC444427 [0,0,0,0,0,1|3,0,0]=4 310 B10R1.13 O=C(O)C1=CC=C(F)C=C1 MC40280 [0,0,0,0,0,1|2,0,0]=3 311 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS20135 [0,0,0,0,0,1|2,0,0]=3 312 B10R1.13 O=C(O)C1=CC=C(O)C=C1 CS22885 [0,0,0,0,0,1|2,0,0]=3 313 B10R1.13 O=C(O)C1=CC=C(O)N=N1 CS17550 [0,0,0,0,0,1|3,0,0]=4 314 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 CS22092 [0,0,0,0,0,1|2,0,0]=3 315 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 CS22101 [0,0,0,0,0,1|2,0,0]=3 316 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 CS18270 [0,0,0,0,0,1|2,0,0]=3 317 B10R1.13 O=C(O)C1=CN=C(F)C=C1 CS18891 [0,0,0,0,0,1|2,0,0]=3 318 B10R1.13 O=C(O)C1=CN=C(O)C=C1 CS19189 [0,0,0,0,0,1|2,0,0]=3 319 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 CS22033 [0,0,0,0,0,1|2,0,0]=3 320 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 CS14223 [0,0,0,0,0,1|3,0,0]=4 321 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 CS12377 [0,0,0,0,0,1|2,0,0]=3 322 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS19376 [0,0,0,0,0,1|2,0,0]=3 323 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 CS14727 [0,0,0,0,0,1|3,0,0]=4 324 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 CS10354 [0,0,0,0,0,1|2,0,0]=3 325 B10R1.13 O=C(O)C1=NC=C(F)C=C1 CS10387 [0,0,0,0,0,1|2,0,0]=3 326 B10R1.13 O=C(O)C1=NC=C(F)C=N1 MC103707 [0,0,0,0,0,1|3,0,0]=4 327 B10R1.13 O=C(O)C1=NC=C(I)C=C1 CS10412 [0,0,0,0,0,1|2,0,0]=3 328 B10R1.13 O=C(O)C1=NC=C(O)C=C1 CS22997 [0,0,0,0,0,1|2,0,0]=3 329 B10R1.13 O=C(O)C1=NC=C(O)C=N1 MC105798 [0,0,0,0,0,1|3,0,0]=4 330 B10R1.13 O=C([O-])C1=CC=C(Br)C=C1 MC40334 [0,0,0,0,0,1|2,0,1]=4 331 B10R1.13 O=C([O-])C1=CC=C(Cl)C=C1 MC40337 [0,0,0,0,0,1|2,0,1]=4 332 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 MC40351 [0,0,0,0,0,1|2,0,1]=4 333 B10R1.54 CN1C=NC(CC(=O)O)=C1 CS16463 [0,0,0,0,0,1|3,0,0]=4 334 B10R1.54 NC1=CC(CC(=O)O)=NN1 CS20216 [0,0,0,0,0,1|3,0,0]=4 335 B10R1.54 NC1=NC(CC(=O)O)=CS1 CS17942 [0,0,0,0,0,1|2,0,0]=3 336 B10R1.54 NC1=NC=C(CC(=O)O)S1 MC103505 [0,0,0,0,0,1|3,0,0]=4 337 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 CS18865 [0,0,0,0,0,1|3,0,0]=4 338 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 CS18282 [0,0,0,0,0,1|3,0,0]=4 339 B10R1.113 CC(=O)C1=CC(C)=CN=C1 CS16656 [0,0,0,0,0,1|2,0,0]=3 340 B10R1.113 CC(=O)C1=CC(C)=NC=C1 CS18206 [0,0,0,0,0,1|2,0,0]=3 341 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS19798 [0,0,0,0,0,1|3,0,0]=4 342 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 MC116273 [0,0,0,0,0,1|3,0,0]=4 343 B10R1.113 CC(=O)C1=CC(F)=CC=C1 CS19067 [0,0,0,0,0,1|3,0,0]=4 344 B10R1.113 CC(=O)C1=CC(F)=CN=C1 MC443199 [0,0,0,0,0,1|3,0,0]=4 345 B10R1.113 CC(=O)C1=CC(I)=CC=C1 MC33049 [0,0,0,0,0,1|3,0,0]=4 346 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS19441 [0,0,0,0,0,1|3,0,0]=4 347 B10R1.113 CC(=O)C1=CC(O)=CC=C1 CS18681 [0,0,0,0,0,1|3,0,0]=4 348 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS19159 [0,0,0,0,0,1|2,0,0]=3 349 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS18426 [0,0,0,0,0,1|3,0,0]=4 350 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 MC441210 [0,0,0,0,0,1|3,0,0]=4 351 B10R1.113 CC(=O)C1=NC=CC(F)=C1 MC430529 [0,0,0,0,0,1|3,0,0]=4 352 B10R1.113 CC1=CC(B(O)O)=CC=C1 CS10529 [0,0,0,0,0,1|2,0,1]=4 353 B10R1.113 CC1=CC(B(O)O)=NC=C1 MC106710 [0,0,0,0,0,1|2,0,1]=4 354 B10R1.113 CC1=CC(C(=O)O)=CN=C1 CS20319 [0,0,0,0,0,1|1,0,0]=2 355 B10R1.113 CC1=CC(C(=O)O)=NC=C1 CS22984 [0,0,0,0,0,1|1,0,0]=2 356 B10R1.113 CC1=CC(C(N)=O)=CN=C1 MC33520 [0,0,0,0,0,1|2,0,0]=3 357 B10R1.113 CC1=CC=CC(C(=N)N)=C1 CS20438 [0,0,0,0,0,1|3,0,0]=4 358 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 MC20748 [0,0,0,0,0,1|2,0,0]=3 359 B10R1.113 CC1=CC=CC(C(=O)O)=C1 CS19799 [0,0,0,0,0,1|1,0,0]=2 360 B10R1.113 CC1=CC=CC(C(=O)O)=N1 CS16317 [0,0,0,0,0,1|2,0,0]=3 361 B10R1.113 CC1=CC=CC(C(O)=S)=C1 MC433710 [0,0,0,0,0,1|1,1,0]=3 362 B10R1.113 CC1=CN=CC(B(O)O)=C1 CS19510 [0,0,0,0,0,1|2,0,1]=4 363 B10R1.113 CC1=NC(C(=O)O)=CN=C1 MC10465 [0,0,0,0,0,1|2,0,0]=3 364 B10R1.113 CC1=NC(C(=O)O)=NC=C1 MC104691 [0,0,0,0,0,1|2,0,0]=3 365 B10R1.113 CC1=NC=CC(B(O)O)=C1 CS18378 [0,0,0,0,0,1|2,0,1]=4 366 B10R1.113 CC1=NC=CC(C(=O)O)=C1 CS19546 [0,0,0,0,0,1|1,0,0]=2 367 B10R1.113 CC1=NC=CC(C(=O)O)=N1 CS19716 [0,0,0,0,0,1|2,0,0]=3 368 B10R1.113 CC1=NC=CC([N+](=O)[O-])=C1 CS13626 [0,0,0,0,0,1|2,0,1]=4 369 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 CS22167 [0,0,0,0,0,1|3,0,0]=4 370 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 CS17785 [0,0,0,0,0,1|3,0,0]=4 371 B10R1.113 NC(=O)C1=CC(N)=CC=C1 MC433795 [0,0,0,0,0,1|3,0,0]=4 372 B10R1.113 NC(=O)C1=CC(N)=CN=C1 CS15231 [0,0,0,0,0,1|3,0,0]=4 373 B10R1.113 NC(=O)C1=CC(N)=NC=C1 MC425286 [0,0,0,0,0,1|3,0,0]=4 374 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 CS19001 [0,0,0,0,0,1|3,0,0]=4 375 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 MC427450 [0,0,0,0,0,1|3,0,0]=4 376 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 MC20489 [0,0,0,0,0,1|3,0,0]=4 377 B10R1.113 NC(=O)C1=NC=CC(N)=C1 MC116216 [0,0,0,0,0,1|3,0,0]=4 378 B10R1.113 NC1=CC(C(=O)O)=CN=C1 CS22022 [0,0,0,0,0,1|2,0,0]=3 379 B10R1.113 NC1=CC(C(=O)O)=NC=C1 CS15431 [0,0,0,0,0,1|2,0,0]=3 380 B10R1.113 NC1=CC(C(=O)O)=NC=N1 MC425236 [0,0,0,0,0,1|2,0,0]=3 381 B10R1.113 NC1=CC=CC(C(=O)O)=C1 CS13396 [0,0,0,0,0,1|2,0,0]=3 382 B10R1.113 NC1=CC=CC(C(=O)O)=N1 CS19355 [0,0,0,0,0,1|3,0,0]=4 383 B10R1.113 NC1=CN=CC(C(=O)O)=N1 CS12628 [0,0,0,0,0,1|3,0,0]=4 384 B10R1.113 NC1=NC=CC(C(=O)O)=C1 CS23021 [0,0,0,0,0,1|2,0,0]=3 385 B10R1.113 NC1=NC=CC(C(=O)O)=N1 MC10396 [0,0,0,0,0,1|3,0,0]=4 386 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 MC40439 [0,0,0,0,0,1|3,0,0]=4 387 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 MC40449 [0,0,0,0,0,1|3,0,0]=4 388 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 MC40473 [0,0,0,0,0,1|3,0,0]=4 389 B10R1.113 O=C(Cl)C1=NC=CC(O)=C1 MC106015 [0,0,0,0,0,1|3,0,0]=4 390 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 CS15122 [0,0,0,0,0,1|2,0,0]=3 391 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 MC20488 [0,0,0,0,0,1|2,0,0]=3 392 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 CS14882 [0,0,0,0,0,1|2,0,0]=3 393 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 CS18845 [0,0,0,0,0,1|2,0,0]=3 394 B10R1.113 O=C(O)C1=CC(F)=CC=C1 CS10368 [0,0,0,0,0,1|2,0,0]=3 395 B10R1.113 O=C(O)C1=CC(F)=NC=C1 CS18886 [0,0,0,0,0,1|2,0,0]=3 396 B10R1.113 O=C(O)C1=CC(I)=CC=C1 CS10375 [0,0,0,0,0,1|2,0,0]=3 397 B10R1.113 O=C(O)C1=CC(O)=CC=C1 CS19800 [0,0,0,0,0,1|2,0,0]=3 398 B10R1.113 O=C(O)C1=CC(S)=CC=C1 MC20304 [0,0,0,0,0,1|2,0,0]=3 399 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 CS22040 [0,0,0,0,0,1|2,0,0]=3 400 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 CS18852 [0,0,0,0,0,1|2,0,0]=3 401 B10R1.113 O=C(O)C1=CN=CC(F)=C1 CS22934 [0,0,0,0,0,1|2,0,0]=3 402 B10R1.113 O=C(O)C1=CN=CC(O)=C1 CS22067 [0,0,0,0,0,1|2,0,0]=3 403 B10R1.113 O=C(O)C1=CN=NC(Cl)=C1 CS17230 [0,0,0,0,0,1|2,0,0]=3 404 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 CS22087 [0,0,0,0,0,1|3,0,0]=4 405 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 MC441120 [0,0,0,0,0,1|3,0,0]=4 406 B10R1.113 O=C(O)C1=NC(Br)=NC=C1 MC443368 [0,0,0,0,0,1|3,0,0]=4 407 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 CS21854 [0,0,0,0,0,1|3,0,0]=4 408 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 CS12423 [0,0,0,0,0,1|3,0,0]=4 409 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 CS17265 [0,0,0,0,0,1|3,0,0]=4 410 B10R1.113 O=C(O)C1=NC(F)=CC=C1 CS14295 [0,0,0,0,0,1|3,0,0]=4 411 B10R1.113 O=C(O)C1=NC(O)=CC=C1 CS22114 [0,0,0,0,0,1|3,0,0]=4 412 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 CS14122 [0,0,0,0,0,1|2,0,0]=3 413 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 CS14963 [0,0,0,0,0,1|2,0,0]=3 414 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CS17501 [0,0,0,0,0,1|2,0,0]=3 415 B10R1.113 O=C(O)C1=NC=CC(I)=C1 CS17506 [0,0,0,0,0,1|2,0,0]=3 416 B10R1.113 O=C(O)C1=NC=CC(O)=C1 CS22894 [0,0,0,0,0,1|2,0,0]=3 417 B10R1.113 O=C(O)C1=NC=NC(Cl)=C1 MC444429 [0,0,0,0,0,1|2,0,0]=3 418 B10R1.113 O=C(O)C1=NC=NC(O)=C1 CS17537 [0,0,0,0,0,1|2,0,0]=3 419 B10R1.113 O=C([O-])C1=CC(Cl)=CC=C1 MC40336 [0,0,0,0,0,1|2,0,1]=4 420 B10R1.113 O=C([O-])C1=CC(F)=CC=C1 MC40350 [0,0,0,0,0,1|2,0,1]=4 421 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 MC430296 [0,0,0,0,0,1|2,0,1]=4 422 B10R1.113 O=C1C=C(C(=O)O)C=NN1 CS22119 [0,0,0,0,0,1|2,0,0]=3 423 B10R1.113 O=C1C=NC=C(C(=O)O)N1 CS17150 [0,0,0,0,0,1|3,0,0]=4 424 B10R1.113 O=C1N=CC=C(C(=O)O)N1 CS12225 [0,0,0,0,0,1|3,0,0]=4 425 B7R0.4 CCO\C=C\C(=O)O CS22271 [1,0,1,0,0,0|0,1,1]=4 426 B7R0.4 C\C=C\C=C\C(=O)[O-] CS11961 [1,0,1,0,0,0|1,0,1]=4 427 B7R0.6 C=C(C)CCC(=O)O CS16527 [1,0,1,0,0,0|0,0,2]=4 428 B7R1.1 COC1=CSC=C1 CS22351 [2,0,0,0,0,0|2,0,0]=4 429 B7R1.1 I[Zn]c1ccsc1 MC116065 [2,0,0,0,0,0|2,0,0]=4 430 B7R1.1 N#CC1=CSC=C1 CS17418 [2,0,0,0,0,0|1,0,1]=4 431 B7R1.1 NCC1=CSC=C1 CS22417 [2,0,0,0,0,0|1,0,1]=4 432 B7R1.1 O=CC1=CC=CN1 CS17764 [2,0,0,0,0,0|2,0,0]=4 433 B7R1.1 O=CC1=CC=CN1 MC434011 [2,0,0,0,0,0|2,0,0]=4 434 B7R1.1 O=CC1=CC=CO1 MC41686 [2,0,0,0,0,0|2,0,0]=4 435 B7R1.1 O=CC1=CC=CS1 CS16400 [2,0,0,0,0,0|2,0,0]=4 436 B7R1.1 O=CC1=CN=CO1 MC100355 [2,0,0,0,0,0|2,0,0]=4 437 B7R1.1 O=CC1=CN=CS1 CS15582 [2,0,0,0,0,0|2,0,0]=4 438 B7R1.1 O=CC1=CNC=C1 CS20728 [2,0,0,0,0,0|1,0,0]=3 439 B7R1.1 O=CC1=CNC=N1 CS14113 [2,0,0,0,0,0|2,0,0]=4 440 B7R1.1 O=CC1=CNN=C1 CS17644 [2,0,0,0,0,0|2,0,0]=4 441 B7R1.1 O=CC1=CNN=C1 CS18258 [2,0,0,0,0,0|2,0,0]=4 442 B7R1.1 O=CC1=CSC=C1 CS14553 [2,0,0,0,0,0|0,0,0]=2 443 B7R1.1 O=CC1=CSC=N1 MC33021 [2,0,0,0,0,0|1,0,0]=3 444 B7R1.1 O=CC1=NNC=C1 CS18284 [2,0,0,0,0,0|2,0,0]=4 445 B7R1.1 OCC1=COC=C1 CS22303 [2,0,0,0,0,0|0,1,1]=4 446 B7R1.1 OCC1=CSC=C1 CS18039 [2,0,0,0,0,0|0,0,1]=3 447 B7R1.1 OCC1=CSC=N1 CS22892 [2,0,0,0,0,0|1,0,1]=4 448 B7R1.2 BrC1=CSC(Br)=C1 MC41669 [2,0,0,0,0,0|2,0,0]=4 449 B7R1.2 CC1=CC(=O)CC1 CS22356 [2,0,0,0,0,0|1,0,1]=4 450 B7R1.2 CC1=CC(=O)CO1 MC429080 [2,0,0,0,0,0|0,1,1]=4 451 B7R1.2 CC1=CC(=O)NN1 CS22601 [2,0,0,0,0,0|2,0,0]=4 452 B7R1.2 CC1=CC(Br)=CS1 CS22736 [2,0,0,0,0,0|1,0,0]=3 453 B7R1.2 CC1=CSC(C)=N1 CS22781 [2,0,0,0,0,0|1,0,1]=4 454 B7R1.2 CC1=CSC(N)=C1 MC113026 [2,0,0,0,0,0|1,0,1]=4 455 B7R1.2 CC1=CSC(N)=C1 MC121228 [2,0,0,0,0,0|1,0,1]=4 456 B7R1.2 CC1=NC(I)=CS1 MC432141 [2,0,0,0,0,0|2,0,0]=4 457 B7R1.2 FC1=CSC(Br)=C1 MC430931 [2,0,0,0,0,0|2,0,0]=4 458 B7R1.2 NC1=CC(Cl)=CS1 MC104036 [2,0,0,0,0,0|2,0,0]=4 459 B7R1.2 NC1=CSC(Cl)=C1 MC102443 [2,0,0,0,0,0|2,0,0]=4 460 B7R1.2 NC1=CSC(Cl)=C1 MC104600 [2,0,0,0,0,0|2,0,0]=4 461 B7R1.2 NC1=NC(O)=CS1 MC111277 [2,0,0,0,0,0|2,0,0]=4 462 B7R1.2 OC1=NSC(Cl)=C1 MC31103 [2,0,0,0,0,0|2,0,0]=4 463 B9R1.7 CC1=NC(\C=N\O)=CN1 MC107346 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.21 CCC1=CC(C=O)=NO1 MC105910 [1,1,0,0,0,0|1,1,0]=4 465 B9R1.21 CCC1=NC=C(C=O)S1 CS15904 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.21 COC1=NC=C(C=O)S1 MC443812 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.21 O=CC1=CC=C(CO)N1 CS16660 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.21 O=CC1=CC=C(CO)O1 CS15585 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.21 O=CC1=CSC(C=O)=C1 CS17580 [1,1,0,0,0,0|0,0,1]=3 470 B9R1.22 CC1=CC(C#N)=C(N)S1 CS19410 [1,1,0,0,0,0|1,0,1]=4 471 B9R1.22 CC1=CC(C)=C(C=O)N1 CS10535 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.22 CC1=NC(C)=C(C=O)N1 MC427470 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.22 CC1=NN(C)C(C=O)=C1 MC21034 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.22 CC1=NN(C)C=C1C=O CS13371 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.132 CC1=NSC(C=O)=C1Br MC106268 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.11 COC(=O)C1=CC=CN1 CS17868 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.11 COC(=O)C1=CC=CO1 CS11606 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.11 COC(=O)C1=CC=NS1 MC106643 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.11 COC(=O)C1=CNC=C1 CS20729 [1,1,0,0,0,0|1,0,0]=3 480 B9R1.11 COC(=O)C1=CNC=N1 CS18794 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.11 COC(=O)C1=CNN=C1 MC425198 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.11 COC(=O)C1=NNC=C1 CS11588 [1,1,0,0,0,0|2,0,0]=4 483 B9R1.19 O=S(=O)(Cl)C1=CSC=C1 CS22418 [1,1,0,0,0,0|1,0,1]=4 484 B9R1.41 CC(=O)C1=CNC=C1C MC442581 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.41 CC1=C(B(O)O)C=CS1 MC428308 [1,1,0,0,0,0|1,0,1]=4 486 B9R1.41 CC1=C(C(=O)O)C=CO1 CS21668 [1,1,0,0,0,0|0,1,0]=3 487 B9R1.41 CC1=C(C(=O)O)C=CS1 CS21702 [1,1,0,0,0,0|0,0,0]=2 488 B9R1.41 CC1=C(C(=O)O)C=NO1 CS17770 [1,1,0,0,0,0|1,1,0]=4 489 B9R1.41 CC1=C(C(=O)O)N=CO1 CS10431 [1,1,0,0,0,0|1,1,0]=4 490 B9R1.41 CC1=C(C(=O)O)N=CS1 CS17596 [1,1,0,0,0,0|1,0,0]=3 491 B9R1.41 CC1=C(C(=O)O)NC=C1 MC106666 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.41 CC1=C(C(=O)O)OC=N1 CS18905 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.41 CC1=C(C(=O)O)SC=C1 CS23026 [1,1,0,0,0,0|2,0,0]=4 494 B9R1.41 CC1=C(C(=O)O)SC=N1 CS22753 [1,1,0,0,0,0|2,0,0]=4 495 B9R1.41 CC1=C(C(=O)O)SN=C1 MC106261 [1,1,0,0,0,0|2,0,0]=4 496 B9R1.41 CC1=CSC=C1B(O)O CS22958 [1,1,0,0,0,0|1,0,1]=4 497 B9R1.41 CC1=CSC=C1C(=O)O CS14827 [1,1,0,0,0,0|0,0,0]=2 498 B9R1.41 CC1=NNC=C1C(=O)O CS18295 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.41 CC1=NOC=C1C(=O)O CS18046 [1,1,0,0,0,0|1,1,0]=4 500 B9R1.41 CN1C=NC=C1C(=O)O CS20748 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.41 CN1N=CC=C1C(=O)O CS17278 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.41 NC(=O)C1=C(N)SC=C1 CS21314 [1,1,0,0,0,0|1,0,0]=3 503 B9R1.41 NC(=O)C1=C(N)SC=N1 MC21008 [1,1,0,0,0,0|2,0,0]=4 504 B9R1.41 NC1=CNN=C1C(=O)O CS15323 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.41 NC1=NSN=C1C(=O)O CS12587 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.41 O=C(O)C1=C(Br)C=CS1 CS17286 [1,1,0,0,0,0|2,0,0]=4 507 B9R1.41 O=C(O)C1=C(Br)C=NN1 CS13587 [1,1,0,0,0,0|2,0,0]=4 508 B9R1.41 O=C(O)C1=C(Br)SC=C1 CS21343 [1,1,0,0,0,0|0,0,0]=2 509 B9R1.41 O=C(O)C1=C(Cl)C=CS1 MC20302 [1,1,0,0,0,0|2,0,0]=4 510 B9R1.41 O=C(O)C1=C(Cl)SC=C1 CS12218 [1,1,0,0,0,0|0,0,0]=2 511 B9R1.41 O=C(O)C1=C(F)C=CS1 CS21775 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.41 O=C(O)C1=C(I)C=NN1 CS13410 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.41 O=C(O)C1=C(S)C=CS1 MC116754 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.41 O=C(O)C1=CSC=C1Br MC442191 [1,1,0,0,0,0|0,0,0]=2 515 B9R1.41 O=C(O)C1=NNC=C1Br CS22625 [1,1,0,0,0,0|2,0,0]=4 516 B9R1.41 O=C(O)C1=NNC=C1Cl CS15482 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.41 O=C(O)c1ccsc1F MC430854 [1,1,0,0,0,0|0,0,0]=2 518 B9R1.41 O=[N+]([O-])c1ccsc1Br CS21342 [1,1,0,0,0,0|1,0,1]=4 519 B9R1.164 CC1(C)C=C(C(=O)O)C1 MC101960 [0,1,0,0,1,0|0,0,2]=4 520 B11R1.3 C#Cc1ccc(C(=O)O)cc1 CS17809 [0,1,0,0,0,1|1,0,1]=4 521 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 MC425378 [0,1,0,0,0,1|1,0,1]=4 522 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 CS12193 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 CS13406 [0,1,0,0,0,1|1,0,0]=3 524 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 MC441036 [0,1,0,0,0,1|1,0,0]=3 525 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 MC20232 [0,1,0,0,0,1|1,0,0]=3 526 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 MC20515 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.3 COC1=CC=C(C(C)=O)C=C1 MC41262 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.3 COC1=CC=C(C(C)=O)C=N1 CS20044 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.3 COC1=CN=C(C(=O)Cl)C=N1 MC106028 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.3 COC1=CN=C(C(=O)O)C=C1 CS18937 [0,1,0,0,0,1|1,0,0]=3 531 B11R1.3 COC1=CN=C(C(=O)O)C=N1 CS12309 [0,1,0,0,0,1|1,0,0]=3 532 B11R1.3 COC1=CN=C(C(C)=O)C=C1 MC105069 [0,1,0,0,0,1|2,0,0]=4 533 B11R1.3 COC1=NC=C(C(=O)O)C=C1 CS10490 [0,1,0,0,0,1|1,0,0]=3 534 B11R1.3 N#CC1=CC=C(C(=O)O)C=C1 CS21997 [0,1,0,0,0,1|1,0,1]=4 535 B11R1.3 N#CC1=NC=C(C(=O)O)C=N1 MC103593 [0,1,0,0,0,1|1,0,1]=4 536 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 CS15778 [0,1,0,0,0,1|2,0,0]=4 537 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 MC20325 [0,1,0,0,0,1|1,0,0]=3 538 B11R1.3 NCC1=NC=C(C(N)=O)C=C1 CS18466 [0,1,0,0,0,1|2,0,0]=4 539 B11R1.3 NCc1ccc(C(N)=O)cn1 MC431292 [0,1,0,0,0,1|2,0,0]=4 540 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 CS10519 [0,1,0,0,0,1|2,0,0]=4 541 B11R1.3 O=C(Cl)C1=CC=C(CCl)C=C1 MC40458 [0,1,0,0,0,1|2,0,0]=4 542 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 MC10316 [0,1,0,0,0,1|1,0,0]=3 543 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 CS20829 [0,1,0,0,0,1|1,0,0]=3 544 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 CS20945 [0,1,0,0,0,1|1,0,0]=3 545 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 MC115965 [0,1,0,0,0,1|1,0,0]=3 546 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 CS20792 [0,1,0,0,0,1|1,0,1]=4 547 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS12653 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC102832 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC107660 [0,1,0,0,0,1|2,0,0]=4 550 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC111069 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC111070 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC114003 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC115790 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC20639 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC20805 [0,1,0,0,0,1|2,0,0]=4 556 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC33259 [0,1,0,0,0,1|2,0,0]=4 557 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC425317 [0,1,0,0,0,1|2,0,0]=4 558 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC425323 [0,1,0,0,0,1|2,0,0]=4 559 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=N1 CS19700 [0,1,0,0,0,1|2,0,0]=4 560 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 MC436139 [0,1,0,0,0,1|2,0,0]=4 561 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 MC41231 [0,1,0,0,0,1|2,0,0]=4 562 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 CS20811 [0,1,0,0,0,1|1,0,0]=3 563 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 MC433136 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=N1 MC431672 [0,1,0,0,0,1|2,0,0]=4 565 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 CS21076 [0,1,0,0,0,1|1,0,0]=3 566 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 MC111082 [0,1,0,0,0,1|1,0,0]=3 567 B11R1.21 CC1=C(C)N=C(C(=O)O)C=N1 CS16867 [0,1,0,0,0,1|1,0,0]=3 568 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 CS20828 [0,1,0,0,0,1|1,0,0]=3 569 B11R1.21 CC1=C(Cl)C=C(C(=O)[O-])C=C1 MC40343 [0,1,0,0,0,1|1,0,1]=4 570 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 CS19324 [0,1,0,0,0,1|2,0,0]=4 571 B11R1.21 CC1=C(Cl)N=C(C(=O)O)C=C1 CS14760 [0,1,0,0,0,1|1,0,0]=3 572 B11R1.21 CC1=C(Cl)N=CC(C(=O)O)=C1 MC429982 [0,1,0,0,0,1|2,0,0]=4 573 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 CS21927 [0,1,0,0,0,1|1,0,0]=3 574 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 CS14298 [0,1,0,0,0,1|2,0,0]=4 575 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 CS12903 [0,1,0,0,0,1|2,0,0]=4 576 B11R1.21 CC1=C(I)C=C(C(=O)Cl)C=C1 MC433702 [0,1,0,0,0,1|2,0,0]=4 577 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 CS21937 [0,1,0,0,0,1|1,0,0]=3 578 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 CS21906 [0,1,0,0,0,1|1,0,0]=3 579 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 CS21001 [0,1,0,0,0,1|2,0,0]=4 580 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 CS20943 [0,1,0,0,0,1|1,0,0]=3 581 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 CS20947 [0,1,0,0,0,1|2,0,0]=4 582 B11R1.21 CC1=CC(C(=O)O)=NC=C1Br CS17571 [0,1,0,0,0,1|2,0,0]=4 583 B11R1.21 CC1=CC=C(C(=O)O)NC1=O CS16105 [0,1,0,0,0,1|1,0,0]=3 584 B11R1.21 CC1=CN=C(C(=O)O)C=C1Br MC432004 [0,1,0,0,0,1|1,0,0]=3 585 B11R1.21 CC1=CN=C(C(=O)O)C=C1Cl CS17916 [0,1,0,0,0,1|1,0,0]=3 586 B11R1.21 CC1=[N+]([O-])C=C(C(=O)O)N=C1 CS14626 [0,1,0,0,0,1|1,0,0]=3 587 B11R1.21 CN1N=CC(C(=O)O)=CC1=O MC116439 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 MC40225 [0,1,0,0,0,1|2,0,0]=4 589 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 MC33100 [0,1,0,0,0,1|2,0,0]=4 590 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 CS20206 [0,1,0,0,0,1|2,0,0]=4 591 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 CS20228 [0,1,0,0,0,1|2,0,0]=4 592 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 CS10439 [0,1,0,0,0,1|2,0,0]=4 593 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 MC10142 [0,1,0,0,0,1|2,0,0]=4 594 B11R1.21 NC1=C(I)C=CC(C(=O)O)=C1 MC31156 [0,1,0,0,0,1|2,0,0]=4 595 B11R1.21 NC1=C(I)N=C(C(=O)O)C=N1 MC104768 [0,1,0,0,0,1|2,0,0]=4 596 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 CS20381 [0,1,0,0,0,1|2,0,0]=4 597 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 CS20332 [0,1,0,0,0,1|2,0,0]=4 598 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 CS10491 [0,1,0,0,0,1|2,0,0]=4 599 B11R1.21 NC1=CC(C(=O)O)=NC=C1F MC431827 [0,1,0,0,0,1|2,0,0]=4 600 B11R1.21 NC1=CC=C(C(=O)O)C=C1Cl MC20248 [0,1,0,0,0,1|2,0,0]=4 601 B11R1.21 NC1=NC=C(C(=O)O)C=C1Br CS12387 [0,1,0,0,0,1|2,0,0]=4 602 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br MC101922 [0,1,0,0,0,1|2,0,0]=4 603 B11R1.21 Nc1cc(C(=O)O)ncc1Br MC104060 [0,1,0,0,0,1|2,0,0]=4 604 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 CS13169 [0,1,0,0,0,1|2,0,0]=4 605 B11R1.21 O=C(O)C1=CC(Br)=C(Br)C=C1 MC433643 [0,1,0,0,0,1|2,0,0]=4 606 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)C=C1 CS19835 [0,1,0,0,0,1|2,0,0]=4 607 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 CS21914 [0,1,0,0,0,1|2,0,0]=4 608 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 CS16354 [0,1,0,0,0,1|2,0,0]=4 609 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 MC40236 [0,1,0,0,0,1|2,0,0]=4 610 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=C1 CS14672 [0,1,0,0,0,1|2,0,0]=4 611 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 CS19962 [0,1,0,0,0,1|2,0,0]=4 612 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 CS20110 [0,1,0,0,0,1|2,0,0]=4 613 B11R1.21 O=C(O)C1=CC(F)=C(Br)C=C1 CS21990 [0,1,0,0,0,1|2,0,0]=4 614 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 CS19967 [0,1,0,0,0,1|2,0,0]=4 615 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 CS20015 [0,1,0,0,0,1|2,0,0]=4 616 B11R1.21 O=C(O)C1=CC(F)=C(I)C=C1 CS22285 [0,1,0,0,0,1|2,0,0]=4 617 B11R1.21 O=C(O)C1=CC(F)=C(O)C=C1 MC40282 [0,1,0,0,0,1|2,0,0]=4 618 B11R1.21 O=C(O)C1=CC(I)=C(Br)C=C1 MC441218 [0,1,0,0,0,1|2,0,0]=4 619 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 MC434062 [0,1,0,0,0,1|2,0,0]=4 620 B11R1.21 O=C(O)C1=CC(I)=C(F)C=C1 CS12746 [0,1,0,0,0,1|2,0,0]=4 621 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 MC441219 [0,1,0,0,0,1|2,0,0]=4 622 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 CS22662 [0,1,0,0,0,1|2,0,0]=4 623 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 CS20111 [0,1,0,0,0,1|2,0,0]=4 624 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 MC40283 [0,1,0,0,0,1|2,0,0]=4 625 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 CS18380 [0,1,0,0,0,1|2,0,0]=4 626 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 CS20259 [0,1,0,0,0,1|2,0,0]=4 627 B11R1.21 O=C(O)C1=CC=C(Cl)C(=O)N1 CS16864 [0,1,0,0,0,1|2,0,0]=4 628 B11R1.21 O=C(O)C1=CC=C(O)C(=O)N1 CS17670 [0,1,0,0,0,1|2,0,0]=4 629 B11R1.21 O=C(O)C1=CN=C(Br)C(Br)=C1 MC20828 [0,1,0,0,0,1|2,0,0]=4 630 B11R1.21 O=C(O)C1=CN=C(Br)C(F)=C1 MC431134 [0,1,0,0,0,1|2,0,0]=4 631 B11R1.21 O=C(O)C1=CN=C(Cl)C(Br)=C1 CS14093 [0,1,0,0,0,1|2,0,0]=4 632 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 CS22861 [0,1,0,0,0,1|2,0,0]=4 633 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 MC432210 [0,1,0,0,0,1|2,0,0]=4 634 B11R1.21 O=C(O)C1=CN=C(F)C(Br)=C1 CS13277 [0,1,0,0,0,1|2,0,0]=4 635 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 MC103666 [0,1,0,0,0,1|2,0,0]=4 636 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 CS13224 [0,1,0,0,0,1|2,0,0]=4 637 B11R1.21 O=C(O)C1=NC(Cl)=C(Cl)C=C1 CS15048 [0,1,0,0,0,1|2,0,0]=4 638 B11R1.21 O=C(O)C1=NC(Cl)=C(F)C=C1 CS15050 [0,1,0,0,0,1|2,0,0]=4 639 B11R1.21 O=C(O)C1=NC(Cl)=C(O)C=C1 MC432469 [0,1,0,0,0,1|2,0,0]=4 640 B11R1.21 O=C(O)C1=NC(O)=C(F)C=C1 CS17967 [0,1,0,0,0,1|2,0,0]=4 641 B11R1.21 O=C(O)C1=NC(O)=C(O)N=C1 CS17143 [0,1,0,0,0,1|2,0,0]=4 642 B11R1.21 O=C(O)C1=NC=C(Br)C(Cl)=C1 CS15157 [0,1,0,0,0,1|2,0,0]=4 643 B11R1.21 O=C(O)C1=NC=C(Cl)C(Br)=C1 MC430521 [0,1,0,0,0,1|2,0,0]=4 644 B11R1.21 O=C(O)C1=NC=C(O)C(Cl)=C1 MC432602 [0,1,0,0,0,1|2,0,0]=4 645 B11R1.22 CC1=CC=C(C(=O)CBr)C=N1 MC431197 [0,1,0,0,0,1|2,0,0]=4 646 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 CS15303 [0,1,0,0,0,1|2,0,0]=4 647 B11R1.22 COC(=O)C1=CC=C(C)C=C1 MC40114 [0,1,0,0,0,1|1,0,0]=3 648 B11R1.22 COC(=O)C1=CC=C(F)C=C1 CS20841 [0,1,0,0,0,1|2,0,0]=4 649 B11R1.22 COC(=O)C1=CC=C(I)C=C1 CS20853 [0,1,0,0,0,1|2,0,0]=4 650 B11R1.22 COC(=O)C1=CC=C(N)C=C1 CS20990 [0,1,0,0,0,1|2,0,0]=4 651 B11R1.22 COC(=O)C1=CC=C(O)C=C1 CS19446 [0,1,0,0,0,1|2,0,0]=4 652 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 CS14052 [0,1,0,0,0,1|2,0,0]=4 653 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 MC442840 [0,1,0,0,0,1|2,0,0]=4 654 B11R1.22 COC(=O)C1=CN=C(C)C=C1 CS10875 [0,1,0,0,0,1|1,0,0]=3 655 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 CS11603 [0,1,0,0,0,1|2,0,0]=4 656 B11R1.22 COC(=O)C1=CN=C(F)C=C1 CS13697 [0,1,0,0,0,1|2,0,0]=4 657 B11R1.22 COC(=O)C1=CN=C(N)C=C1 CS14193 [0,1,0,0,0,1|2,0,0]=4 658 B11R1.22 COC(=O)C1=CN=C(N)N=C1 CS12441 [0,1,0,0,0,1|2,0,0]=4 659 B11R1.22 COC(=O)C1=CN=C(O)C=C1 CS19248 [0,1,0,0,0,1|2,0,0]=4 660 B11R1.22 COC(=O)C1=CNC(=O)N=C1 MC443636 [0,1,0,0,0,1|2,0,0]=4 661 B11R1.22 COC(=O)C1=COC(=O)C=C1 CS19181 [0,1,0,0,0,1|1,1,0]=4 662 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 CS14099 [0,1,0,0,0,1|2,0,0]=4 663 B11R1.22 COC(=O)C1=NC=C(Br)N=C1 CS11655 [0,1,0,0,0,1|2,0,0]=4 664 B11R1.22 COC(=O)C1=NC=C(C)C=C1 CS15553 [0,1,0,0,0,1|1,0,0]=3 665 B11R1.22 COC(=O)C1=NC=C(C)C=N1 MC115976 [0,1,0,0,0,1|2,0,0]=4 666 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 CS14158 [0,1,0,0,0,1|2,0,0]=4 667 B11R1.22 COC(=O)C1=NC=C(F)C=C1 CS16224 [0,1,0,0,0,1|2,0,0]=4 668 B11R1.22 COC(=O)C1=NC=C(N)C=C1 CS21755 [0,1,0,0,0,1|2,0,0]=4 669 B11R1.22 COC(=O)C1=NC=C(N)N=C1 MC444546 [0,1,0,0,0,1|2,0,0]=4 670 B11R1.22 COC(=O)C1=NC=C(O)C=C1 CS10406 [0,1,0,0,0,1|2,0,0]=4 671 B11R1.22 COC(=O)C1=NC=C(O)N=C1 CS19747 [0,1,0,0,0,1|2,0,0]=4 672 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 MC111201 [0,1,0,0,0,1|2,0,0]=4 673 B11R1.166 CC(=O)C1=C(F)C=C(C)C=C1 MC430999 [0,1,0,0,0,1|2,0,0]=4 674 B11R1.166 CC(=O)c1ncc(C)cc1C MC111085 [0,1,0,0,0,1|2,0,0]=4 675 B11R1.166 CC1=C(C(=O)O)C=CC(=O)O1 MC427282 [0,1,0,0,0,1|1,1,0]=4 676 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=C1 CS15606 [0,1,0,0,0,1|2,0,0]=4 677 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 CS22749 [0,1,0,0,0,1|2,0,0]=4 678 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=N1 CS14724 [0,1,0,0,0,1|2,0,0]=4 679 B11R1.166 CC1=C(C(=O)O)C=CC(F)=C1 CS21999 [0,1,0,0,0,1|2,0,0]=4 680 B11R1.166 CC1=C(C(=O)O)C=CC(F)=N1 CS19398 [0,1,0,0,0,1|2,0,0]=4 681 B11R1.166 CC1=C(C(=O)O)C=CC(N)=C1 CS18188 [0,1,0,0,0,1|2,0,0]=4 682 B11R1.166 CC1=C(C(=O)O)C=CC(O)=C1 CS12971 [0,1,0,0,0,1|2,0,0]=4 683 B11R1.166 CC1=CC(=O)C(C(=O)O)=CN1 CS12084 [0,1,0,0,0,1|1,0,0]=3 684 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 CS21362 [0,1,0,0,0,1|1,0,0]=3 685 B11R1.166 CC1=CC(Br)=CN=C1C(=O)O CS17552 [0,1,0,0,0,1|2,0,0]=4 686 B11R1.166 CC1=CC(Br)=NC=C1C(=O)O MC431042 [0,1,0,0,0,1|2,0,0]=4 687 B11R1.166 CC1=CC(C)=C(C(=O)Cl)C=C1 MC40470 [0,1,0,0,0,1|2,0,0]=4 688 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 CS21071 [0,1,0,0,0,1|1,0,0]=3 689 B11R1.166 CC1=CC(C)=NC=C1C(=O)O CS22514 [0,1,0,0,0,1|1,0,0]=3 690 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 CS21449 [0,1,0,0,0,1|1,0,0]=3 691 B11R1.166 CC1=CC(Cl)=CN=C1C(=O)O CS17583 [0,1,0,0,0,1|2,0,0]=4 692 B11R1.166 CC1=CC(Cl)=NC=C1C(=O)O MC425056 [0,1,0,0,0,1|2,0,0]=4 693 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 CS20842 [0,1,0,0,0,1|1,0,0]=3 694 B11R1.166 CC1=CC(F)=CN=C1C(=O)O MC431877 [0,1,0,0,0,1|2,0,0]=4 695 B11R1.166 CC1=CC(F)=NC=C1C(=O)O MC432072 [0,1,0,0,0,1|2,0,0]=4 696 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 CS13976 [0,1,0,0,0,1|1,0,0]=3 697 B11R1.166 CC1=CC(N)=C(C(N)=O)C=C1 CS20440 [0,1,0,0,0,1|2,0,0]=4 698 B11R1.166 CC1=CC(N)=NC=C1C(=O)O MC427212 [0,1,0,0,0,1|2,0,0]=4 699 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 CS20948 [0,1,0,0,0,1|1,0,0]=3 700 B11R1.166 CC1=CN=C(C(=O)O)C(Br)=C1 CS15720 [0,1,0,0,0,1|1,0,0]=3 701 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 CS15178 [0,1,0,0,0,1|1,0,0]=3 702 B11R1.166 CC1=CN=C(C(=O)O)C(F)=C1 MC103700 [0,1,0,0,0,1|1,0,0]=3 703 B11R1.166 CC1=NC(Cl)=C(C(=O)O)C=C1 CS20205 [0,1,0,0,0,1|1,0,0]=3 704 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=C1 CS15914 [0,1,0,0,0,1|1,0,0]=3 705 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=N1 MC443338 [0,1,0,0,0,1|1,0,0]=3 706 B11R1.166 CC1=NC=C(C(=O)O)C(F)=C1 MC432353 [0,1,0,0,0,1|1,0,0]=3 707 B11R1.166 CC1=NC=C(C(=O)O)C(N)=C1 CS12116 [0,1,0,0,0,1|1,0,0]=3 708 B11R1.166 CC1=NC=C(C(=O)O)C(O)=C1 CS20333 [0,1,0,0,0,1|1,0,0]=3 709 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=C1 CS20180 [0,1,0,0,0,1|2,0,0]=4 710 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=N1 MC432153 [0,1,0,0,0,1|2,0,0]=4 711 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 CS20207 [0,1,0,0,0,1|2,0,0]=4 712 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=N1 CS14921 [0,1,0,0,0,1|2,0,0]=4 713 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 CS21809 [0,1,0,0,0,1|2,0,0]=4 714 B11R1.166 NC1=C(C(=O)O)C=CC(I)=C1 CS21253 [0,1,0,0,0,1|2,0,0]=4 715 B11R1.166 NC1=C(C(=O)O)C=CC(O)=C1 CS12851 [0,1,0,0,0,1|2,0,0]=4 716 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O CS14395 [0,1,0,0,0,1|2,0,0]=4 717 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 CS10414 [0,1,0,0,0,1|2,0,0]=4 718 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O MC429964 [0,1,0,0,0,1|2,0,0]=4 719 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 CS20227 [0,1,0,0,0,1|2,0,0]=4 720 B11R1.166 NC1=CC(F)=NC=C1C(=O)O MC103397 [0,1,0,0,0,1|2,0,0]=4 721 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 CS22593 [0,1,0,0,0,1|2,0,0]=4 722 B11R1.166 NC1=CC(O)=NC=C1C(=O)O CS22578 [0,1,0,0,0,1|2,0,0]=4 723 B11R1.166 NC1=NC=C(C(=O)O)C(=O)N1 MC442168 [0,1,0,0,0,1|2,0,0]=4 724 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=C1 CS21072 [0,1,0,0,0,1|2,0,0]=4 725 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)C=C1 CS19824 [0,1,0,0,0,1|2,0,0]=4 726 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=C1 CS21353 [0,1,0,0,0,1|2,0,0]=4 727 B11R1.166 O=C(O)C1=C(Br)C=C(I)C=C1 CS15275 [0,1,0,0,0,1|2,0,0]=4 728 B11R1.166 O=C(O)C1=C(Br)N=C(F)C=C1 MC431766 [0,1,0,0,0,1|2,0,0]=4 729 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 CS10220 [0,1,0,0,0,1|2,0,0]=4 730 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 CS14611 [0,1,0,0,0,1|2,0,0]=4 731 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 MC40252 [0,1,0,0,0,1|2,0,0]=4 732 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 CS20109 [0,1,0,0,0,1|2,0,0]=4 733 B11R1.166 O=C(O)C1=C(Cl)N=C(Br)C=C1 MC432617 [0,1,0,0,0,1|2,0,0]=4 734 B11R1.166 O=C(O)C1=C(Cl)N=C(Cl)C=C1 CS21796 [0,1,0,0,0,1|2,0,0]=4 735 B11R1.166 O=C(O)C1=C(Cl)N=C(F)C=C1 MC431623 [0,1,0,0,0,1|2,0,0]=4 736 B11R1.166 O=C(O)C1=C(Cl)N=C(O)C=C1 CS19029 [0,1,0,0,0,1|2,0,0]=4 737 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 CS21987 [0,1,0,0,0,1|2,0,0]=4 738 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 MC40253 [0,1,0,0,0,1|2,0,0]=4 739 B11R1.166 O=C(O)C1=C(F)C=C(F)C=C1 MC40267 [0,1,0,0,0,1|2,0,0]=4 740 B11R1.166 O=C(O)C1=C(F)C=C(I)C=C1 CS21546 [0,1,0,0,0,1|2,0,0]=4 741 B11R1.166 O=C(O)C1=C(F)C=C(O)C=C1 CS10370 [0,1,0,0,0,1|2,0,0]=4 742 B11R1.166 O=C(O)C1=C(F)C=C(S)C=C1 MC106336 [0,1,0,0,0,1|2,0,0]=4 743 B11R1.166 O=C(O)C1=C(F)N=C(Cl)C=C1 CS17032 [0,1,0,0,0,1|2,0,0]=4 744 B11R1.166 O=C(O)C1=C(I)C=C(Cl)C=C1 CS22743 [0,1,0,0,0,1|2,0,0]=4 745 B11R1.166 O=C(O)C1=C(I)C=C(F)C=C1 CS14997 [0,1,0,0,0,1|2,0,0]=4 746 B11R1.166 O=C(O)C1=C(I)C=C(O)C=C1 MC442268 [0,1,0,0,0,1|2,0,0]=4 747 B11R1.166 O=C(O)C1=C(O)C=C(Br)C=C1 MC30324 [0,1,0,0,0,1|2,0,0]=4 748 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 CS14628 [0,1,0,0,0,1|2,0,0]=4 749 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 CS14175 [0,1,0,0,0,1|2,0,0]=4 750 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 MC33215 [0,1,0,0,0,1|2,0,0]=4 751 B11R1.166 O=C(O)C1=C(O)N=C(Cl)C=C1 CS15315 [0,1,0,0,0,1|2,0,0]=4 752 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Br CS13280 [0,1,0,0,0,1|2,0,0]=4 753 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl MC103222 [0,1,0,0,0,1|2,0,0]=4 754 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Br MC445336 [0,1,0,0,0,1|2,0,0]=4 755 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Cl CS15782 [0,1,0,0,0,1|2,0,0]=4 756 B11R1.166 O=C(O)C1=CN=C(O)C=C1Cl CS15170 [0,1,0,0,0,1|2,0,0]=4 757 B11R1.166 O=C(O)C1=CN=C(O)N=C1O CS13988 [0,1,0,0,0,1|2,0,0]=4 758 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Br MC20838 [0,1,0,0,0,1|2,0,0]=4 759 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl MC31031 [0,1,0,0,0,1|2,0,0]=4 760 B11R1.166 O=C(O)C1=NC=C(Br)C=C1F MC429610 [0,1,0,0,0,1|2,0,0]=4 761 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Cl CS21897 [0,1,0,0,0,1|2,0,0]=4 762 B11R1.166 O=C(O)C1=NC=C(Cl)N=C1Cl MC442260 [0,1,0,0,0,1|2,0,0]=4 763 B11R1.166 O=C(O)C1=NC=C(F)C=C1Br MC429650 [0,1,0,0,0,1|2,0,0]=4 764 B11R1.166 O=C(O)C1=NC=C(F)C=C1Cl MC430828 [0,1,0,0,0,1|2,0,0]=4 765 B11R1.166 O=C(O)C1=NC=C(F)C=C1F MC429507 [0,1,0,0,0,1|2,0,0]=4 766 B11R1.39 COC(=O)CC1=NNC(C)=C1 MC429556 [0,1,0,0,0,1|2,0,0]=4 767 B11R1.23 COC(=O)C1=CC(=O)NC=C1 CS11585 [0,1,0,0,0,1|2,0,0]=4 768 B11R1.23 COC(=O)C1=CC(Br)=CC=C1 CS20038 [0,1,0,0,0,1|2,0,0]=4 769 B11R1.23 COC(=O)C1=CC(C)=CC=C1 MC40113 [0,1,0,0,0,1|1,0,0]=3 770 B11R1.23 COC(=O)C1=CC(Cl)=CC=C1 CS11622 [0,1,0,0,0,1|2,0,0]=4 771 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 CS18382 [0,1,0,0,0,1|2,0,0]=4 772 B11R1.23 COC(=O)C1=CC(F)=CC=C1 MC40102 [0,1,0,0,0,1|2,0,0]=4 773 B11R1.23 COC(=O)C1=CC(I)=CC=C1 CS19204 [0,1,0,0,0,1|2,0,0]=4 774 B11R1.23 COC(=O)C1=CC(N)=CC=C1 MC40055 [0,1,0,0,0,1|2,0,0]=4 775 B11R1.23 COC(=O)C1=CC(N)=NC=C1 CS19528 [0,1,0,0,0,1|2,0,0]=4 776 B11R1.23 COC(=O)C1=CC(N)=NC=C1 MC442551 [0,1,0,0,0,1|2,0,0]=4 777 B11R1.23 COC(=O)C1=CC(O)=CC=C1 CS13404 [0,1,0,0,0,1|2,0,0]=4 778 B11R1.23 COC(=O)C1=CC(S)=CC=C1 MC100369 [0,1,0,0,0,1|2,0,0]=4 779 B11R1.23 COC(=O)C1=CC(S)=NC=C1 MC430617 [0,1,0,0,0,1|2,0,0]=4 780 B11R1.23 COC(=O)C1=CN=CC(Br)=C1 CS10403 [0,1,0,0,0,1|2,0,0]=4 781 B11R1.23 COC(=O)C1=CN=CC(C)=C1 CS11660 [0,1,0,0,0,1|1,0,0]=3 782 B11R1.23 COC(=O)C1=CN=CC(N)=C1 CS18261 [0,1,0,0,0,1|2,0,0]=4 783 B11R1.23 COC(=O)C1=CN=CC(O)=C1 CS11658 [0,1,0,0,0,1|2,0,0]=4 784 B11R1.23 COC(=O)C1=CN=NC(Cl)=C1 CS12304 [0,1,0,0,0,1|2,0,0]=4 785 B11R1.23 COC(=O)C1=NC(C)=CC=C1 CS12275 [0,1,0,0,0,1|2,0,0]=4 786 B11R1.23 COC(=O)C1=NC(C)=CN=C1 MC110937 [0,1,0,0,0,1|2,0,0]=4 787 B11R1.23 COC(=O)C1=NC(C)=NC=C1 CS15096 [0,1,0,0,0,1|2,0,0]=4 788 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 CS18223 [0,1,0,0,0,1|2,0,0]=4 789 B11R1.23 COC(=O)C1=NC=CC(C)=C1 MC431617 [0,1,0,0,0,1|1,0,0]=3 790 B11R1.23 COC(=O)C1=NC=CC(C)=N1 CS12268 [0,1,0,0,0,1|2,0,0]=4 791 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 CS14005 [0,1,0,0,0,1|2,0,0]=4 792 B11R1.23 COC(=O)C1=NC=CC(F)=C1 MC430081 [0,1,0,0,0,1|2,0,0]=4 793 B11R1.23 O=C(OO)C1=CC(Cl)=CC=C1 MC20584 [0,1,0,0,0,1|2,0,0]=4 794 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 CS11107 [0,1,0,0,0,1|2,0,0]=4 795 B11R1.74 CC(=O)C1=NC(C)=CC(C)=C1 CS15839 [0,1,0,0,0,1|2,0,0]=4 796 B11R1.74 CC1=CC(C(=O)O)=CC(Br)=C1 CS12399 [0,1,0,0,0,1|1,0,0]=3 797 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=C1 CS15533 [0,1,0,0,0,1|1,0,0]=3 798 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=N1 CS14042 [0,1,0,0,0,1|1,0,0]=3 799 B11R1.74 CC1=CC(C(=O)O)=CC(F)=C1 CS14703 [0,1,0,0,0,1|1,0,0]=3 800 B11R1.74 CC1=CC(C(=O)O)=CC(O)=C1 CS22319 [0,1,0,0,0,1|1,0,0]=3 801 B11R1.74 CC1=CC(C(=O)O)=NC(C)=C1 MC111081 [0,1,0,0,0,1|1,0,0]=3 802 B11R1.74 CC1=CC(C(=O)O)=NC(Cl)=C1 CS10680 [0,1,0,0,0,1|1,0,0]=3 803 B11R1.74 CC1=CC(C)=CC(C(=O)Cl)=C1 MC20749 [0,1,0,0,0,1|2,0,0]=4 804 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 CS21904 [0,1,0,0,0,1|1,0,0]=3 805 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 MC433670 [0,1,0,0,0,1|1,0,0]=3 806 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 MC427308 [0,1,0,0,0,1|2,0,0]=4 807 B11R1.74 CC1=CC(N)=CC(C(=O)O)=C1 MC20267 [0,1,0,0,0,1|1,0,0]=3 808 B11R1.74 CC1=NC(N)=CC(C(=O)O)=N1 MC432042 [0,1,0,0,0,1|2,0,0]=4 809 B11R1.74 NC1=CC(Br)=CC(C(=O)O)=C1 CS22075 [0,1,0,0,0,1|2,0,0]=4 810 B11R1.74 NC1=CC(C(=O)O)=NC(Br)=C1 MC33509 [0,1,0,0,0,1|2,0,0]=4 811 B11R1.74 NC1=CC(C(=O)O)=NC(Cl)=C1 MC33512 [0,1,0,0,0,1|2,0,0]=4 812 B11R1.74 NC1=CC(F)=CC(C(=O)O)=C1 CS10981 [0,1,0,0,0,1|2,0,0]=4 813 B11R1.74 NC1=CC(N)=CC(C(=O)O)=C1 MC433642 [0,1,0,0,0,1|2,0,0]=4 814 B11R1.74 NC1=CC(O)=CC(C(=O)O)=C1 CS22078 [0,1,0,0,0,1|2,0,0]=4 815 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 CS19812 [0,1,0,0,0,1|2,0,0]=4 816 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=C1 CS12668 [0,1,0,0,0,1|2,0,0]=4 817 B11R1.74 O=C(O)C1=CC(Br)=CC(F)=C1 CS21917 [0,1,0,0,0,1|2,0,0]=4 818 B11R1.74 O=C(O)C1=CC(Br)=CC(I)=C1 MC20185 [0,1,0,0,0,1|2,0,0]=4 819 B11R1.74 O=C(O)C1=CC(Br)=CC(O)=C1 MC40243 [0,1,0,0,0,1|2,0,0]=4 820 B11R1.74 O=C(O)C1=CC(Br)=NC(Br)=C1 CS13909 [0,1,0,0,0,1|2,0,0]=4 821 B11R1.74 O=C(O)C1=CC(Br)=NC(Cl)=C1 MC431578 [0,1,0,0,0,1|2,0,0]=4 822 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=C1 CS14664 [0,1,0,0,0,1|2,0,0]=4 823 B11R1.74 O=C(O)C1=CC(Cl)=CC(F)=C1 MC33092 [0,1,0,0,0,1|2,0,0]=4 824 B11R1.74 O=C(O)C1=CC(Cl)=CC(I)=C1 CS22224 [0,1,0,0,0,1|2,0,0]=4 825 B11R1.74 O=C(O)C1=CC(Cl)=NC(Cl)=C1 CS18670 [0,1,0,0,0,1|2,0,0]=4 826 B11R1.74 O=C(O)C1=CC(F)=CC(F)=C1 MC30103 [0,1,0,0,0,1|2,0,0]=4 827 B11R1.74 O=C(O)C1=CC(F)=CC(I)=C1 MC433681 [0,1,0,0,0,1|2,0,0]=4 828 B11R1.74 O=C(O)C1=CC(F)=CC(O)=C1 CS14447 [0,1,0,0,0,1|2,0,0]=4 829 B11R1.74 O=C(O)C1=CC(F)=NC(F)=C1 MC430002 [0,1,0,0,0,1|2,0,0]=4 830 B11R1.74 O=C(O)C1=CC(I)=CC(I)=C1 MC433664 [0,1,0,0,0,1|2,0,0]=4 831 B11R1.74 O=C(O)C1=CC(O)=CC(I)=C1 MC442504 [0,1,0,0,0,1|2,0,0]=4 832 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 MC20481 [0,1,0,0,0,1|2,0,0]=4 833 B11R1.74 O=C(O)C1=NC(Br)=CC(Br)=C1 MC442155 [0,1,0,0,0,1|2,0,0]=4 834 B11R1.74 O=C(O)C1=NC(Br)=CC(Cl)=C1 MC431198 [0,1,0,0,0,1|2,0,0]=4 835 B11R1.74 O=C(O)C1=NC(Cl)=CC(Br)=C1 CS17530 [0,1,0,0,0,1|2,0,0]=4 836 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=C1 CS22506 [0,1,0,0,0,1|2,0,0]=4 837 B11R1.74 O=C(O)C1=NC(Cl)=CC(F)=C1 MC431621 [0,1,0,0,0,1|2,0,0]=4 838 B11R1.74 O=C(O)C1=NC(F)=CC(Br)=C1 MC431181 [0,1,0,0,0,1|2,0,0]=4 839 B11R1.74 O=C(O)c1cc(O)nc(O)c1 CS16429 [0,1,0,0,0,1|2,0,0]=4 840 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 CS15532 [0,1,0,0,0,1|2,0,0]=4 841 B11R1.159 CC(=O)C1=C(C)C(C)=CC=C1 MC33077 [0,1,0,0,0,1|2,0,0]=4 842 B11R1.159 CC(=O)C1=C(O)C(C)=CC=C1 CS13325 [0,1,0,0,0,1|2,0,0]=4 843 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O CS17097 [0,1,0,0,0,1|2,0,0]=4 844 B11R1.159 CC1=C(C(=O)O)C=CC=C1Br CS10774 [0,1,0,0,0,1|2,0,0]=4 845 B11R1.159 CC1=C(C(=O)O)C=CC=C1Cl CS22209 [0,1,0,0,0,1|2,0,0]=4 846 B11R1.159 CC1=C(C(=O)O)C=CC=C1F CS20846 [0,1,0,0,0,1|2,0,0]=4 847 B11R1.159 CC1=C(C(=O)O)C=CC=C1I MC20967 [0,1,0,0,0,1|2,0,0]=4 848 B11R1.159 CC1=C(C(=O)O)C=CC=C1N CS20997 [0,1,0,0,0,1|2,0,0]=4 849 B11R1.159 CC1=C(C(=O)O)C=CC=C1O CS20942 [0,1,0,0,0,1|2,0,0]=4 850 B11R1.159 CC1=C(Cl)C=CN=C1C(=O)O MC442698 [0,1,0,0,0,1|2,0,0]=4 851 B11R1.159 CC1=CC=CC(C(=O)Cl)=C1C MC433669 [0,1,0,0,0,1|2,0,0]=4 852 B11R1.159 CC1=CC=CC(C(=O)O)=C1Br CS10769 [0,1,0,0,0,1|1,0,0]=3 853 B11R1.159 CC1=CC=CC(C(=O)O)=C1C CS21070 [0,1,0,0,0,1|1,0,0]=3 854 B11R1.159 CC1=CC=CC(C(=O)O)=C1F CS21867 [0,1,0,0,0,1|1,0,0]=3 855 B11R1.159 CC1=CC=CC(C(=O)O)=C1I CS21611 [0,1,0,0,0,1|1,0,0]=3 856 B11R1.159 CC1=CC=CC(C(=O)O)=C1N CS21804 [0,1,0,0,0,1|1,0,0]=3 857 B11R1.159 CC1=CC=CC(C(=O)O)=C1O CS16085 [0,1,0,0,0,1|1,0,0]=3 858 B11R1.159 CN1C=CC=C(C(=O)O)C1=O MC444117 [0,1,0,0,0,1|2,0,0]=4 859 B11R1.159 NC1=C(Br)C=NC=C1C(=O)O CS22569 [0,1,0,0,0,1|2,0,0]=4 860 B11R1.159 NC1=C(C(=O)O)C=CC=C1Br CS20178 [0,1,0,0,0,1|2,0,0]=4 861 B11R1.159 NC1=C(C(=O)O)C=CC=C1Cl CS20200 [0,1,0,0,0,1|2,0,0]=4 862 B11R1.159 NC1=C(C(=O)O)C=CC=C1F CS10428 [0,1,0,0,0,1|2,0,0]=4 863 B11R1.159 NC1=C(C(=O)O)C=CC=C1I CS14916 [0,1,0,0,0,1|2,0,0]=4 864 B11R1.159 NC1=C(C(=O)O)C=CC=C1O CS20329 [0,1,0,0,0,1|2,0,0]=4 865 B11R1.159 NC1=C(C(=O)O)C=CN=C1Cl CS15165 [0,1,0,0,0,1|2,0,0]=4 866 B11R1.159 NC1=C(Cl)C(C(=O)O)=NC=C1 MC429875 [0,1,0,0,0,1|2,0,0]=4 867 B11R1.159 NC1=CC=CC(C(=O)O)=C1Cl CS18598 [0,1,0,0,0,1|2,0,0]=4 868 B11R1.159 NC1=CC=CC(C(=O)O)=C1F CS20007 [0,1,0,0,0,1|2,0,0]=4 869 B11R1.159 NC1=CC=CC(C(=O)O)=C1N CS13398 [0,1,0,0,0,1|2,0,0]=4 870 B11R1.159 NC1=CC=CC(C(=O)O)=C1O CS20331 [0,1,0,0,0,1|2,0,0]=4 871 B11R1.159 NC1=NC=CC(C(=O)O)=C1F MC432389 [0,1,0,0,0,1|2,0,0]=4 872 B11R1.159 O=C(O)C1=C(Br)C(Br)=CC=C1 CS14427 [0,1,0,0,0,1|2,0,0]=4 873 B11R1.159 O=C(O)C1=C(Br)C(Cl)=CC=C1 MC429659 [0,1,0,0,0,1|2,0,0]=4 874 B11R1.159 O=C(O)C1=C(Br)C(Cl)=CC=C1 MC433592 [0,1,0,0,0,1|2,0,0]=4 875 B11R1.159 O=C(O)C1=C(Br)C(Cl)=NC=C1 MC432289 [0,1,0,0,0,1|2,0,0]=4 876 B11R1.159 O=C(O)C1=C(Br)C(F)=CC=C1 CS21833 [0,1,0,0,0,1|2,0,0]=4 877 B11R1.159 O=C(O)C1=C(Br)C(F)=NC=C1 MC432120 [0,1,0,0,0,1|2,0,0]=4 878 B11R1.159 O=C(O)C1=C(Br)C(O)=CC=C1 MC442312 [0,1,0,0,0,1|2,0,0]=4 879 B11R1.159 O=C(O)C1=C(Cl)C(Br)=CC=C1 CS14400 [0,1,0,0,0,1|2,0,0]=4 880 B11R1.159 O=C(O)C1=C(Cl)C(Br)=NC=C1 MC432065 [0,1,0,0,0,1|2,0,0]=4 881 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CC=C1 MC433645 [0,1,0,0,0,1|2,0,0]=4 882 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=NC=C1 CS21021 [0,1,0,0,0,1|2,0,0]=4 883 B11R1.159 O=C(O)C1=C(Cl)C(F)=CC=C1 CS19950 [0,1,0,0,0,1|2,0,0]=4 884 B11R1.159 O=C(O)C1=C(Cl)C(O)=CC=C1 CS14808 [0,1,0,0,0,1|2,0,0]=4 885 B11R1.159 O=C(O)C1=C(F)C(Br)=CC=C1 CS21913 [0,1,0,0,0,1|2,0,0]=4 886 B11R1.159 O=C(O)C1=C(F)C(Cl)=CC=C1 CS19960 [0,1,0,0,0,1|2,0,0]=4 887 B11R1.159 O=C(O)C1=C(F)C(Cl)=NC=C1 CS19220 [0,1,0,0,0,1|2,0,0]=4 888 B11R1.159 O=C(O)C1=C(F)C(F)=CC=C1 MC30136 [0,1,0,0,0,1|2,0,0]=4 889 B11R1.159 O=C(O)C1=C(F)C(I)=CC=C1 CS12733 [0,1,0,0,0,1|2,0,0]=4 890 B11R1.159 O=C(O)C1=C(F)C(O)=CC=C1 MC20266 [0,1,0,0,0,1|2,0,0]=4 891 B11R1.159 O=C(O)C1=C(I)C(Cl)=CC=C1 CS15350 [0,1,0,0,0,1|2,0,0]=4 892 B11R1.159 O=C(O)C1=C(I)C(F)=CC=C1 CS14251 [0,1,0,0,0,1|2,0,0]=4 893 B11R1.159 O=C(O)C1=C(I)C(O)=CC=C1 MC442215 [0,1,0,0,0,1|2,0,0]=4 894 B11R1.159 O=C(O)C1=C(O)C(=O)C=CO1 MC111676 [0,1,0,0,0,1|2,0,0]=4 895 B11R1.159 O=C(O)C1=C(O)C(Br)=CC=C1 CS19729 [0,1,0,0,0,1|2,0,0]=4 896 B11R1.159 O=C(O)C1=C(O)C(Cl)=CC=C1 CS22246 [0,1,0,0,0,1|2,0,0]=4 897 B11R1.159 O=C(O)C1=C(O)C(F)=CC=C1 CS10372 [0,1,0,0,0,1|2,0,0]=4 898 B11R1.159 O=C(O)C1=C(O)C(O)=CC=C1 MC20146 [0,1,0,0,0,1|2,0,0]=4 899 B11R1.159 O=C(O)C1=CN=CC(Br)=C1O CS15968 [0,1,0,0,0,1|2,0,0]=4 900 B11R1.159 O=C(O)C1=CNC=C(Br)C1=O CS17860 [0,1,0,0,0,1|2,0,0]=4 901 B11R1.159 O=C(O)C1=NC=CC(Br)=C1F MC432492 [0,1,0,0,0,1|2,0,0]=4 902 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1Cl MC442436 [0,1,0,0,0,1|2,0,0]=4 903 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1F MC431600 [0,1,0,0,0,1|2,0,0]=4 904 B11R1.159 O=C(O)c1ccnc(F)c1F CS12552 [0,1,0,0,0,1|2,0,0]=4 905 B11R1.167 CC(=O)C1=C(F)C=CC(C)=C1 MC41254 [0,1,0,0,0,1|2,0,0]=4 906 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=C1 CS20805 [0,1,0,0,0,1|2,0,0]=4 907 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=N1 CS15972 [0,1,0,0,0,1|2,0,0]=4 908 B11R1.167 CC1=C(C(=O)O)C=C(Cl)C=C1 CS10331 [0,1,0,0,0,1|2,0,0]=4 909 B11R1.167 CC1=C(C(=O)O)C=C(F)C=C1 CS22055 [0,1,0,0,0,1|2,0,0]=4 910 B11R1.167 CC1=C(C(=O)O)C=C(I)C=C1 CS14966 [0,1,0,0,0,1|2,0,0]=4 911 B11R1.167 CC1=C(C(=O)O)C=C(N)C=C1 CS21678 [0,1,0,0,0,1|2,0,0]=4 912 B11R1.167 CC1=C(C(=O)O)C=C(O)C=C1 CS10400 [0,1,0,0,0,1|2,0,0]=4 913 B11R1.167 CC1=CC(C(=O)Cl)=C(F)C=C1 MC40479 [0,1,0,0,0,1|2,0,0]=4 914 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=C1 CS10772 [0,1,0,0,0,1|1,0,0]=3 915 B11R1.167 CC1=CC(C(=O)O)=C(C)C=C1 CS21075 [0,1,0,0,0,1|1,0,0]=3 916 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=C1 CS19779 [0,1,0,0,0,1|1,0,0]=3 917 B11R1.167 CC1=CC(C(=O)O)=C(Cl)N=C1 CS17254 [0,1,0,0,0,1|1,0,0]=3 918 B11R1.167 CC1=CC(C(=O)O)=C(F)C=C1 MC40284 [0,1,0,0,0,1|1,0,0]=3 919 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 CS21612 [0,1,0,0,0,1|1,0,0]=3 920 B11R1.167 CC1=CC(C(=O)O)=C(I)N=C1 MC429858 [0,1,0,0,0,1|1,0,0]=3 921 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 CS20992 [0,1,0,0,0,1|1,0,0]=3 922 B11R1.167 CC1=CC(C(=O)O)=C(N)N=C1 MC112964 [0,1,0,0,0,1|1,0,0]=3 923 B11R1.167 CC1=CC(C(N)=O)=C(N)C=C1 CS14304 [0,1,0,0,0,1|2,0,0]=4 924 B11R1.167 CC1=CC=C(Br)C(C(=O)O)=N1 MC111079 [0,1,0,0,0,1|2,0,0]=4 925 B11R1.167 CC1=CC=C(C)C(C(=O)O)=N1 MC111078 [0,1,0,0,0,1|2,0,0]=4 926 B11R1.167 CC1=CC=C(F)C(C(=O)O)=N1 MC431567 [0,1,0,0,0,1|2,0,0]=4 927 B11R1.167 CC1=CC=C(O)C(C(=O)O)=N1 MC443687 [0,1,0,0,0,1|2,0,0]=4 928 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 MC105730 [0,1,0,0,0,1|2,0,0]=4 929 B11R1.167 CC1=NC=C(Br)C(C(=O)O)=C1 MC432147 [0,1,0,0,0,1|1,0,0]=3 930 B11R1.167 CC1=NC=C(Br)C(C(=O)O)=N1 CS19714 [0,1,0,0,0,1|2,0,0]=4 931 B11R1.167 CC1=NC=C(Cl)C(C(=O)O)=N1 MC444393 [0,1,0,0,0,1|2,0,0]=4 932 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=C1 CS20261 [0,1,0,0,0,1|2,0,0]=4 933 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=N1 CS22956 [0,1,0,0,0,1|2,0,0]=4 934 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 CS20202 [0,1,0,0,0,1|2,0,0]=4 935 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=N1 CS21275 [0,1,0,0,0,1|2,0,0]=4 936 B11R1.167 NC1=C(C(=O)O)C=C(F)C=C1 CS21817 [0,1,0,0,0,1|2,0,0]=4 937 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 CS20231 [0,1,0,0,0,1|2,0,0]=4 938 B11R1.167 NC1=C(C(=O)O)C=C(I)C=N1 MC427420 [0,1,0,0,0,1|2,0,0]=4 939 B11R1.167 NC1=CC(C(=O)O)=C(Br)C=C1 CS18210 [0,1,0,0,0,1|2,0,0]=4 940 B11R1.167 NC1=CC(C(=O)O)=C(Cl)C=C1 CS20208 [0,1,0,0,0,1|2,0,0]=4 941 B11R1.167 NC1=CC(C(=O)O)=C(Cl)N=C1 MC443227 [0,1,0,0,0,1|2,0,0]=4 942 B11R1.167 NC1=CC(C(=O)O)=C(F)C=C1 MC30241 [0,1,0,0,0,1|2,0,0]=4 943 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 CS16234 [0,1,0,0,0,1|2,0,0]=4 944 B11R1.167 NC1=CN=C(Br)C=C1C(=O)O CS14502 [0,1,0,0,0,1|2,0,0]=4 945 B11R1.167 NC1=CN=C(Cl)C=C1C(=O)O CS15108 [0,1,0,0,0,1|2,0,0]=4 946 B11R1.167 NC1=CN=C(F)C=C1C(=O)O MC430040 [0,1,0,0,0,1|2,0,0]=4 947 B11R1.167 O=C(O)C1=C(Br)C=CC(Br)=C1 CS19808 [0,1,0,0,0,1|2,0,0]=4 948 B11R1.167 O=C(O)C1=C(Br)C=CC(Cl)=C1 CS19830 [0,1,0,0,0,1|2,0,0]=4 949 B11R1.167 O=C(O)C1=C(Br)C=CC(F)=C1 CS19846 [0,1,0,0,0,1|2,0,0]=4 950 B11R1.167 O=C(O)C1=C(Br)C=CC(I)=C1 MC433609 [0,1,0,0,0,1|2,0,0]=4 951 B11R1.167 O=C(O)C1=C(Br)N=CC(Br)=C1 CS21135 [0,1,0,0,0,1|2,0,0]=4 952 B11R1.167 O=C(O)C1=C(Br)N=CC(Cl)=C1 CS15518 [0,1,0,0,0,1|2,0,0]=4 953 B11R1.167 O=C(O)C1=C(Br)N=CC(F)=C1 MC111567 [0,1,0,0,0,1|2,0,0]=4 954 B11R1.167 O=C(O)C1=C(Cl)C=CC(Br)=C1 CS10221 [0,1,0,0,0,1|2,0,0]=4 955 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=C1 CS19898 [0,1,0,0,0,1|2,0,0]=4 956 B11R1.167 O=C(O)C1=C(Cl)C=CC(F)=C1 MC429399 [0,1,0,0,0,1|2,0,0]=4 957 B11R1.167 O=C(O)C1=C(Cl)C=CC(I)=C1 MC433624 [0,1,0,0,0,1|2,0,0]=4 958 B11R1.167 O=C(O)C1=C(Cl)C=CC(O)=C1 CS21466 [0,1,0,0,0,1|2,0,0]=4 959 B11R1.167 O=C(O)C1=C(Cl)N=CC(Br)=C1 CS18656 [0,1,0,0,0,1|2,0,0]=4 960 B11R1.167 O=C(O)C1=C(Cl)N=CC(Cl)=C1 CS15201 [0,1,0,0,0,1|2,0,0]=4 961 B11R1.167 O=C(O)C1=C(Cl)N=CC(F)=C1 CS14241 [0,1,0,0,0,1|2,0,0]=4 962 B11R1.167 O=C(O)C1=C(Cl)N=CC(O)=C1 MC441067 [0,1,0,0,0,1|2,0,0]=4 963 B11R1.167 O=C(O)C1=C(Cl)N=NC(Cl)=C1 CS22008 [0,1,0,0,0,1|2,0,0]=4 964 B11R1.167 O=C(O)C1=C(F)C=CC(Br)=C1 CS22027 [0,1,0,0,0,1|2,0,0]=4 965 B11R1.167 O=C(O)C1=C(F)C=CC(Cl)=C1 MC40254 [0,1,0,0,0,1|2,0,0]=4 966 B11R1.167 O=C(O)C1=C(F)C=CC(F)=C1 MC31113 [0,1,0,0,0,1|2,0,0]=4 967 B11R1.167 O=C(O)C1=C(F)C=CC(I)=C1 CS20031 [0,1,0,0,0,1|2,0,0]=4 968 B11R1.167 O=C(O)C1=C(F)C=CC(O)=C1 CS10371 [0,1,0,0,0,1|2,0,0]=4 969 B11R1.167 O=C(O)C1=C(F)N=CC(F)=C1 MC432036 [0,1,0,0,0,1|2,0,0]=4 970 B11R1.167 O=C(O)C1=C(I)C=CC(Br)=C1 CS10237 [0,1,0,0,0,1|2,0,0]=4 971 B11R1.167 O=C(O)C1=C(I)C=CC(Cl)=C1 MC40257 [0,1,0,0,0,1|2,0,0]=4 972 B11R1.167 O=C(O)C1=C(I)C=CC(F)=C1 CS14765 [0,1,0,0,0,1|2,0,0]=4 973 B11R1.167 O=C(O)C1=C(I)C=CC(I)=C1 MC433663 [0,1,0,0,0,1|2,0,0]=4 974 B11R1.167 O=C(O)C1=C(O)C=CC(Br)=C1 CS16232 [0,1,0,0,0,1|2,0,0]=4 975 B11R1.167 O=C(O)C1=C(O)C=CC(Cl)=C1 CS14141 [0,1,0,0,0,1|2,0,0]=4 976 B11R1.167 O=C(O)C1=C(O)C=CC(F)=C1 CS10374 [0,1,0,0,0,1|2,0,0]=4 977 B11R1.167 O=C(O)C1=C(O)N=CC(Br)=C1 CS18796 [0,1,0,0,0,1|2,0,0]=4 978 B11R1.167 O=C(O)C1=C(O)N=NC(Cl)=C1 CS10677 [0,1,0,0,0,1|2,0,0]=4 979 B11R1.167 O=C(O)C1=C(S)C=CC(Br)=C1 MC115165 [0,1,0,0,0,1|2,0,0]=4 980 B11R1.167 O=C(O)C1=CC(Br)=NC=C1Br CS13289 [0,1,0,0,0,1|2,0,0]=4 981 B11R1.167 O=C(O)C1=CC(Br)=NC=C1Cl MC427412 [0,1,0,0,0,1|2,0,0]=4 982 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1F MC433044 [0,1,0,0,0,1|2,0,0]=4 983 B11R1.167 O=C(O)C1=CC(Cl)=CNC1=O MC427347 [0,1,0,0,0,1|2,0,0]=4 984 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1Br CS17555 [0,1,0,0,0,1|2,0,0]=4 985 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1Cl CS16218 [0,1,0,0,0,1|2,0,0]=4 986 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1F CS19538 [0,1,0,0,0,1|2,0,0]=4 987 B11R1.167 O=C1C=C(C(=O)O)C(Br)=CN1 MC427563 [0,1,0,0,0,1|2,0,0]=4 988 B11R1.266 CC(=O)c1cccc(CCl)c1 MC30280 [0,1,0,0,0,1|2,0,0]=4 989 B11R1.266 CCC1=CC=CC(C(=O)O)=N1 CS21756 [0,1,0,0,0,1|2,0,0]=4 990 B11R1.266 CNC1=CC(C(=O)O)=CN=C1 MC33524 [0,1,0,0,0,1|1,0,0]=3 991 B11R1.266 CNC1=CC=CC(C(=O)O)=N1 CS18139 [0,1,0,0,0,1|2,0,0]=4 992 B11R1.266 COC1=CC(C(=O)O)=CN=C1 CS20059 [0,1,0,0,0,1|1,0,0]=3 993 B11R1.266 COC1=CC(C(=O)O)=CN=N1 CS17802 [0,1,0,0,0,1|1,0,0]=3 994 B11R1.266 COC1=CC(C(=O)O)=NC=C1 CS20334 [0,1,0,0,0,1|1,0,0]=3 995 B11R1.266 COC1=CC(C(=O)O)=NC=N1 MC441129 [0,1,0,0,0,1|1,0,0]=3 996 B11R1.266 COC1=CC(C(C)=O)=NC=C1 MC442668 [0,1,0,0,0,1|2,0,0]=4 997 B11R1.266 COC1=CC=CC(C(=O)Cl)=C1 MC40493 [0,1,0,0,0,1|2,0,0]=4 998 B11R1.266 COC1=CC=CC(C(=O)O)=C1 MC40298 [0,1,0,0,0,1|1,0,0]=3 999 B11R1.266 COC1=CC=CC(C(=O)O)=N1 CS18200 [0,1,0,0,0,1|2,0,0]=4 1000 B11R1.266 COC1=CN=CC(C(=O)O)=N1 CS14316 [0,1,0,0,0,1|2,0,0]=4 1001 B11R1.266 COC1=CN=NC(C(=O)O)=C1 MC116095 [0,1,0,0,0,1|2,0,0]=4 1002 B11R1.266 COC1=NC=CC(C(=O)O)=C1 CS10487 [0,1,0,0,0,1|1,0,0]=3 1003 B11R1.266 COC1=NC=CC(C(=O)O)=N1 MC441255 [0,1,0,0,0,1|2,0,0]=4 1004 B11R1.266 CSC1=NC=CC(C(=O)O)=N1 CS19819 [0,1,0,0,0,1|2,0,0]=4 1005 B11R1.266 N#CC1=CC=CC(C(=O)O)=C1 MC433634 [0,1,0,0,0,1|1,0,1]=4 1006 B11R1.266 NC(=O)C1=CC(CBr)=CC=C1 CS16760 [0,1,0,0,0,1|2,0,0]=4 1007 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 CS21006 [0,1,0,0,0,1|1,0,0]=3 1008 B11R1.266 NCc1cc(C(N)=O)ccn1 MC431293 [0,1,0,0,0,1|2,0,0]=4 1009 B11R1.266 O=C(Cl)C1=CC(CCl)=CC=C1 MC40457 [0,1,0,0,0,1|2,0,0]=4 1010 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 MC30291 [0,1,0,0,0,1|1,0,0]=3 1011 B11R1.266 O=C(O)C1=CC(CCl)=CC=C1 CS18966 [0,1,0,0,0,1|1,0,0]=3 1012 B11R1.266 O=C(O)C1=NC(CBr)=CC=C1 MC431950 [0,1,0,0,0,1|2,0,0]=4 1013 B11R1.266 O=CC1=CC(C(=O)O)=CC=C1 CS21920 [0,1,0,0,0,1|1,0,1]=4 1014 B11R1.266 O=CC1=NC=CC(C(=O)O)=C1 CS15759 [0,1,0,0,0,1|1,0,1]=4 1015 B11R1.15 CCOC(=O)C1=CC(C)=CN1 MC41683 [0,2,0,0,0,0|2,0,0]=4 1016 B11R1.15 CCOC(=O)C1=CC(C)=NN1 CS16214 [0,2,0,0,0,0|2,0,0]=4 1017 B11R1.15 CCOC(=O)C1=CC(C)=NO1 MC41681 [0,2,0,0,0,0|2,0,0]=4 1018 B11R1.15 CCOC(=O)C1=CC=C(C)N1 CS10437 [0,2,0,0,0,0|2,0,0]=4 1019 B11R1.15 CCOC(=O)C1=CSC(Br)=C1 CS14895 [0,2,0,0,0,0|1,0,0]=3 1020 B11R1.15 CCOC(=O)C1=CSC(Br)=N1 CS11334 [0,2,0,0,0,0|2,0,0]=4 1021 B11R1.15 CCOC(=O)C1=CSC(C)=N1 CS20415 [0,2,0,0,0,0|1,0,0]=3 1022 B11R1.15 CCOC(=O)C1=CSC(Cl)=N1 CS12667 [0,2,0,0,0,0|2,0,0]=4 1023 B11R1.15 CCOC(=O)C1=CSC(F)=N1 MC425793 [0,2,0,0,0,0|2,0,0]=4 1024 B11R1.15 CCOC(=O)C1=CSC(N)=N1 CS10112 [0,2,0,0,0,0|2,0,0]=4 1025 B11R1.15 CCOC(=O)C1=NNC(C)=C1 CS19586 [0,2,0,0,0,0|2,0,0]=4 1026 B11R1.44 CCC1=NNC(C(=O)OC)=C1 CS19351 [0,2,0,0,0,0|2,0,0]=4 1027 B11R1.44 COC(=O)C1=CC=C(CCl)O1 MC434060 [0,2,0,0,0,0|2,0,0]=4 1028 B11R1.44 COC(=O)C1=CC=C(CN)N1 CS15829 [0,2,0,0,0,0|2,0,0]=4 1029 B11R1.44 COC(=O)C1=CSC(C=O)=C1 CS22280 [0,2,0,0,0,0|0,0,1]=3 1030 B11R1.225 COC(=O)C1=C(Br)NC(Br)=C1 MC115975 [0,2,0,0,0,0|2,0,0]=4 1031 B11R1.225 COC(=O)C1=C(Br)SC(Br)=N1 CS12444 [0,2,0,0,0,0|2,0,0]=4 1032 B11R1.225 COC(=O)C1=C(Br)SC(N)=N1 MC427525 [0,2,0,0,0,0|2,0,0]=4 1033 B11R1.225 COC(=O)C1=C(C)NC(C)=C1 MC441136 [0,2,0,0,0,0|1,0,0]=3 1034 B11R1.225 COC(=O)C1=C(Cl)SC(N)=N1 CS12431 [0,2,0,0,0,0|2,0,0]=4 1035 B11R1.225 COC(=O)C1=C(N)C=C(C)S1 CS11620 [0,2,0,0,0,0|2,0,0]=4 1036 B11R1.225 COC(=O)C1=C(O)C=C(C)S1 CS12929 [0,2,0,0,0,0|2,0,0]=4 1037 B11R1.225 C\C(=N/O)C1=C(Cl)SC(Cl)=C1 MC119987 [0,2,0,0,0,0|2,0,0]=4 1038 B11R1.865 COC(=O)C1=C(C)C(C)=CN1 CS16853 [0,2,0,0,0,0|2,0,0]=4 1039 B11R1.865 COC(=O)C1=C(N)C(C)=CS1 CS20417 [0,2,0,0,0,0|2,0,0]=4 1040 B11R1.865 COC(=O)C1=C(N)C(C)=NO1 MC116482 [0,2,0,0,0,0|2,0,0]=4 1041 B11R1.50 COC1=NN(C)C(C(=O)O)=C1 CS15304 [0,2,0,0,0,0|2,0,0]=4 1042 B11R1.175 CC(=O)C1=CC([N+](=O)[O-])=CS1 CS17521 [0,2,0,0,0,0|1,0,1]=4 1043 B11R1.175 CC(C)C1=CC=C(C(=O)O)O1 MC428181 [0,2,0,0,0,0|2,0,0]=4 1044 B11R1.175 O=C(O)C1=CC=C(C(F)F)S1 MC107672 [0,2,0,0,0,0|2,0,0]=4 1045 B11R1.672 CC1=C(Br)NC(C(=O)O)=C1C MC106284 [0,2,0,0,0,0|2,0,0]=4 1046 B11R1.49 CCC1=C(C(=O)O)SC(C)=N1 CS13358 [0,2,0,0,0,0|2,0,0]=4 1047 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Br MC431106 [0,2,0,0,0,0|2,0,0]=4 1048 B11R1.673 CC1=NN(C)C(C)=C1C(=O)O MC441265 [0,2,0,0,0,0|2,0,0]=4 1049 B9R1.6 O=C(O)C1=CC=CC=C1 MC40233 [0,0,1,1,0,0|1,0,1]=4 1050 B9R1.6 O=C(O)C1=CC=CN=C1 MC41633 [0,0,1,1,0,0|1,0,1]=4 1051 B9R1.6 O=C(O)C1=CN=CN=C1 CS17525 [0,0,1,1,0,0|2,0,0]=4 1052 B9R1.2 CC1=CC(C=O)=CN=C1 MC425681 [1,0,0,0,0,1|1,0,0]=3 1053 B9R1.2 CC1=CC(C=O)=NC=C1 CS19123 [1,0,0,0,0,1|1,0,0]=3 1054 B9R1.2 CC1=CC(CO)=NC=C1 CS11126 [1,0,0,0,0,1|1,0,1]=4 1055 B9R1.2 CC1=CC(CO)=NC=N1 MC103804 [1,0,0,0,0,1|1,0,1]=4 1056 B9R1.2 CC1=CC=CC(C=O)=C1 MC41127 [1,0,0,0,0,1|1,0,0]=3 1057 B9R1.2 CC1=CC=CC(C=O)=N1 MC41626 [1,0,0,0,0,1|2,0,0]=4 1058 B9R1.2 CC1=NC(C=O)=NC=C1 MC104692 [1,0,0,0,0,1|2,0,0]=4 1059 B9R1.2 CC1=NC=CC(C=O)=C1 CS15441 [1,0,0,0,0,1|1,0,0]=3 1060 B9R1.2 CC1=NC=CC(C=O)=N1 CS19715 [1,0,0,0,0,1|2,0,0]=4 1061 B9R1.2 NC1=NC=CC(C=O)=C1 CS18505 [1,0,0,0,0,1|2,0,0]=4 1062 B9R1.2 NC1=NC=CC(C=O)=C1 MC103369 [1,0,0,0,0,1|2,0,0]=4 1063 B9R1.2 O=CC1=CC(Br)=CC=C1 CS18958 [1,0,0,0,0,1|2,0,0]=4 1064 B9R1.2 O=CC1=CC(Br)=NC=C1 CS18783 [1,0,0,0,0,1|2,0,0]=4 1065 B9R1.2 O=CC1=CC(Cl)=CC=C1 MC20579 [1,0,0,0,0,1|2,0,0]=4 1066 B9R1.2 O=CC1=CC(F)=CC=C1 CS22298 [1,0,0,0,0,1|2,0,0]=4 1067 B9R1.2 O=CC1=CC(F)=NC=C1 MC431324 [1,0,0,0,0,1|2,0,0]=4 1068 B9R1.2 O=CC1=CC(I)=CC=C1 CS20132 [1,0,0,0,0,1|2,0,0]=4 1069 B9R1.2 O=CC1=CC(O)=CC=C1 MC20422 [1,0,0,0,0,1|2,0,0]=4 1070 B9R1.2 O=CC1=CN=CC(Br)=C1 MC20791 [1,0,0,0,0,1|2,0,0]=4 1071 B9R1.2 O=CC1=CN=CC(F)=C1 CS19040 [1,0,0,0,0,1|2,0,0]=4 1072 B9R1.2 O=CC1=CN=CC(O)=C1 CS15599 [1,0,0,0,0,1|2,0,0]=4 1073 B9R1.2 O=CC1=NC=CC(Br)=C1 CS12092 [1,0,0,0,0,1|2,0,0]=4 1074 B9R1.2 O=CC1=NC=CC(Cl)=C1 CS22794 [1,0,0,0,0,1|2,0,0]=4 1075 B9R1.2 O=CC1=NC=NC(Cl)=C1 MC430292 [1,0,0,0,0,1|2,0,0]=4 1076 B9R1.13 O=C(O)CC1=CC=CS1 CS23025 [1,0,0,0,0,1|2,0,0]=4 1077 B9R1.13 O=C(O)CC1=CN=CN1 CS22764 [1,0,0,0,0,1|2,0,0]=4 1078 B9R1.13 O=C(O)CC1=CN=CS1 MC105966 [1,0,0,0,0,1|2,0,0]=4 1079 B9R1.13 O=C(O)CC1=CNC=C1 MC106680 [1,0,0,0,0,1|1,0,0]=3 1080 B9R1.13 O=C(O)CN1C=CN=C1 CS22762 [1,0,0,0,0,1|2,0,0]=4 1081 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 MC428013 [0,0,0,0,0,2|2,0,0]=4 1082 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 CS21084 [0,0,0,0,0,2|1,0,0]=3 1083 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 MC429948 [0,0,0,0,0,2|1,0,0]=3 1084 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 CS14692 [0,0,0,0,0,2|1,0,0]=3 1085 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 CS21002 [0,0,0,0,0,2|2,0,0]=4 1086 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 CS20812 [0,0,0,0,0,2|2,0,0]=4 1087 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 MC40158 [0,0,0,0,0,2|2,0,0]=4 1088 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 CS10817 [0,0,0,0,0,2|2,0,0]=4 1089 B11R1.20 O=C(O)CC1=CC=C(F)N=C1 MC429488 [0,0,0,0,0,2|2,0,0]=4 1090 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 CS20852 [0,0,0,0,0,2|2,0,0]=4 1091 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 MC40180 [0,0,0,0,0,2|2,0,0]=4 1092 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 MC40184 [0,0,0,0,0,2|2,0,0]=4 1093 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 CS13319 [0,0,0,0,0,2|2,0,0]=4 1094 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 CS14073 [0,0,0,0,0,2|2,0,0]=4 1095 B11R1.75 O=C(O)\C=C\C1=CSC(Br)=C1 MC103293 [0,0,0,0,0,2|1,0,0]=3 1096 B11R1.157 CC(=O)OC1=CC(C)=CC=C1 MC40008 [0,0,0,0,0,2|2,0,0]=4 1097 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 MC431740 [0,0,0,0,0,2|1,0,0]=3 1098 B11R1.157 Cc1cccc(CC(=O)O)c1 MC433961 [0,0,0,0,0,2|1,0,0]=3 1099 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 CS21911 [0,0,0,0,0,2|2,0,0]=4 1100 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 CS10775 [0,0,0,0,0,2|2,0,0]=4 1101 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 CS21923 [0,0,0,0,0,2|2,0,0]=4 1102 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 MC40173 [0,0,0,0,0,2|2,0,0]=4 1103 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 MC431564 [0,0,0,0,0,2|2,0,0]=4 1104 B11R1.157 O=C(O)CC1=CC(F)=NC=C1 MC430121 [0,0,0,0,0,2|2,0,0]=4 1105 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 CS20851 [0,0,0,0,0,2|2,0,0]=4 1106 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 CS20944 [0,0,0,0,0,2|2,0,0]=4