0 B8R0.28 CN(C)C\C=C\C(=O)O CS15971 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.28 CN(C)C\C=C\C(=O)O CS16134 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.28 CN(C)C\C=C\C(=O)O CS17703 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.4 CCC\C=C\C(C)=O MC20875 [1,0,0,0,0,0|0,0,2]=3 4 B7R0.4 CCO\C=C\C(=O)Cl MC425808 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.4 CCO\C=C\C(=O)Cl MC427603 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.4 CCO\C=C\C(=O)O CS22271 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.4 C\C=C\C=C\C(=O)[O-] CS11961 [1,0,0,0,0,0|1,0,0]=2 8 B9R0.1 COC(=O)\C=C\CN(C)C MC107341 [0,1,0,0,0,0|1,0,1]=3 9 B9R0.53 CC(C)=CC(=O)C=C(C)C MC10339 [0,1,0,0,0,0|1,0,0]=2 10 B9R0.53 C\C(N)=C\C(=O)OC(C)C CS10135 [0,1,0,0,0,0|2,0,1]=4 11 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS20414 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.35 CC(=O)C1=CC(C)=NO1 MC427423 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.35 CC(=O)C1=CC(C)=NS1 MC106270 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.35 CC(=O)C1=CC(Cl)=CS1 CS21207 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.35 CC(=O)C1=CC=C(Br)O1 CS20429 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.35 CC(=O)C1=CC=C(C)S1 CS20396 [0,0,0,1,0,0|1,0,0]=2 17 B9R1.35 CC(=O)C1=CC=C(Cl)S1 CS21209 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.35 CC(=O)C1=CN=C(Br)S1 CS17877 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.35 CC(=O)C1=CSC(Br)=C1 CS12338 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.35 CC(=O)C1=CSC(N)=N1 CS20386 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.35 CC(=O)C1=NC(C)=CO1 CS16603 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.35 CC(=O)C1=NN(C)C=C1 MC104385 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.35 CC(=O)C1=NOC(C)=C1 CS20434 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.35 CC1=CC(C(=O)O)=CN1 CS15830 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.35 CC1=CC=C(C(=O)O)O1 CS19440 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.35 CC1=CC=C(C(=O)O)S1 CS23027 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.35 CC1=CN=C(C(=O)O)O1 MC429957 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.35 CC1=COC(C(=O)O)=C1 MC104342 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.35 CC1=COC(C(=O)O)=N1 MC104071 [0,0,0,1,0,0|3,0,0]=4 30 B9R1.35 CC1=NC=C(C(=O)O)O1 MC102213 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.35 CC1=NC=C(C(=O)O)S1 CS21657 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.35 CN1C=CC(C(=O)O)=C1 MC441014 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.35 CN1C=CC(C(=O)O)=N1 CS18190 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.35 Cc1coc(C(=O)O)c1 MC104343 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.35 NC(=O)C1=CC=C(Br)N1 MC102124 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.35 NC(=O)C1=CC=C(Br)O1 MC432199 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 MC21110 [0,0,0,1,0,0|3,0,0]=4 38 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 MC443881 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.35 O=C(O)C1=CC=C(Br)N1 CS16375 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.35 O=C(O)C1=CC=C(Br)O1 CS22685 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS17287 [0,0,0,1,0,0|3,0,0]=4 42 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS10327 [0,0,0,1,0,0|3,0,0]=4 43 B9R1.35 O=C(O)C1=CC=C(Cl)S1 CS17350 [0,0,0,1,0,0|3,0,0]=4 44 B6R0.4 C=C\C=C\C(=O)O CS12033 [2,0,0,0,0,0|1,0,0]=3 45 B6R0.4 CN(C)\C=C\C=O MC42238 [2,0,0,0,0,0|1,0,0]=3 46 B6R0.4 CO\C=C\C(C)=O MC33352 [2,0,0,0,0,0|1,0,0]=3 47 B8R0.5 CCOC(=O)C=C(C)C CS11345 [1,1,0,0,0,0|1,0,1]=4 48 B8R0.6 C\C=C\C=C\C(=O)OC MC446659 [1,1,0,0,0,0|0,0,0]=2 49 B8R0.23 CC(=O)CC(=O)C(C)C MC41930 [0,1,0,0,1,0|0,0,2]=4 50 B8R1.1 CC1=CC(C=O)=CS1 MC443650 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.1 CC1=CC=C(C=O)N1 CS10436 [1,0,0,1,0,0|1,0,0]=3 52 B8R1.1 CC1=CC=C(C=O)S1 MC20284 [1,0,0,1,0,0|1,0,0]=3 53 B8R1.1 CC1=CN=C(C=O)S1 MC425517 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.1 CC1=COC(C=O)=C1 MC104341 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.1 CC1=COC(C=O)=N1 MC104070 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.1 CC1=CSC(C=O)=N1 MC431095 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.1 CC1=NC=C(C=O)S1 MC21171 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.1 CN1C=CC(C=O)=N1 CS18204 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.1 O=CC1=CC=C(Br)S1 CS18323 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.1 O=CC1=CC=C(I)O1 MC430408 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.4 CC1=CC(Cl)=CC=C1 MC41511 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.4 CC1=CC=CC(=O)N1 CS19499 [1,0,0,1,0,0|1,0,0]=3 63 B8R1.4 CC1=CC=CC(Br)=C1 CS19957 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.4 CC1=CC=CC(Br)=N1 CS21841 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.4 CC1=CC=CC(C)=C1 MC41550 [1,0,0,1,0,0|0,0,1]=3 66 B8R1.4 CC1=CC=CC(C)=N1 CS18597 [1,0,0,1,0,0|1,0,0]=3 67 B8R1.4 CC1=CC=CC(Cl)=N1 CS23010 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.4 CC1=CC=CC(F)=C1 CS19910 [1,0,0,1,0,0|1,0,1]=4 69 B8R1.4 CC1=CC=CC(F)=N1 CS19330 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.4 CC1=CC=CC(I)=C1 CS19968 [1,0,0,1,0,0|1,0,1]=4 71 B8R1.4 CC1=CC=CC(I)=N1 MC443163 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.4 CC1=CC=CC(N)=C1 CS11698 [1,0,0,1,0,0|1,0,1]=4 73 B8R1.4 CC1=CC=CC(N)=N1 CS18078 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.4 CC1=CC=CC(O)=C1 MC41203 [1,0,0,1,0,0|0,0,2]=4 75 B8R1.4 CC1=CC=CC(S)=C1 MC41411 [1,0,0,1,0,0|0,1,1]=4 76 B8R1.4 CC1=NC=CC(=O)N1 CS22425 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.4 NC1=CC=CC(=O)N1 CS22760 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.4 O=C1C=CC=C(Cl)N1 CS10672 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [1,0,0,1,0,0|1,0,0]=3 80 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [1,0,0,1,0,0|1,0,0]=3 81 B8R1.7 CC(=O)C1=CC=NO1 CS15344 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.7 CC(=O)C1=CNC=N1 CS20378 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.7 CC(=O)C1=CSC=C1 CS18739 [1,0,0,1,0,0|1,0,1]=4 84 B8R1.7 CC(=O)C1=CSC=N1 CS13244 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.7 CC(=O)C1=NC=CO1 CS20443 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.7 CC(=O)C1=NC=CS1 CS22755 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.7 CC(=O)C1=NNC=C1 CS13441 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.7 CC(=O)C1=NOC=C1 MC116141 [1,0,0,1,0,0|2,0,0]=4 89 B8R1.7 CC(C)C1=CC=CO1 MC428131 [1,0,0,1,0,0|0,0,2]=4 90 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [1,0,0,1,0,0|2,0,0]=4 92 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.34 CC(=O)C=C1COC1 MC425334 [1,0,0,1,0,0|1,0,1]=4 94 B8R1.3 CC1=CC=C(C)C=C1 MC41551 [0,0,0,1,1,0|1,0,1]=4 95 B8R1.3 CC1=CN=C(C)C=C1 CS21154 [0,0,0,1,1,0|1,0,1]=4 96 B8R1.3 CC1=CNC(=O)C=C1 CS21591 [0,0,0,1,1,0|1,0,1]=4 97 B8R1.3 CC1=NNC(=O)C=C1 CS19836 [0,0,0,1,1,0|2,0,0]=4 98 B10R1.54 CC(=O)NC1=CC=C(Br)S1 CS11706 [0,0,0,1,0,1|2,0,0]=4 99 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 CS18865 [0,0,0,1,0,1|1,0,1]=4 100 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 CS18282 [0,0,0,1,0,1|1,0,1]=4 101 B10R1.113 CC(=O)C1=CC(C)=CN=C1 CS16656 [0,0,0,1,0,1|0,0,1]=3 102 B10R1.113 CC(=O)C1=CC(C)=NC=C1 CS18206 [0,0,0,1,0,1|0,0,1]=3 103 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS19798 [0,0,0,1,0,1|1,0,1]=4 104 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 MC116273 [0,0,0,1,0,1|1,0,1]=4 105 B10R1.113 CC(=O)C1=CC(F)=CC=C1 CS19067 [0,0,0,1,0,1|1,0,1]=4 106 B10R1.113 CC(=O)C1=CC(F)=CN=C1 MC443199 [0,0,0,1,0,1|1,0,1]=4 107 B10R1.113 CC(=O)C1=CC(I)=CC=C1 MC33049 [0,0,0,1,0,1|1,0,1]=4 108 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS19441 [0,0,0,1,0,1|1,0,1]=4 109 B10R1.113 CC(=O)C1=CC(O)=CC=C1 CS18681 [0,0,0,1,0,1|1,0,1]=4 110 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS19159 [0,0,0,1,0,1|0,0,1]=3 111 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 CS17202 [0,0,0,1,0,1|2,0,0]=4 112 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS18426 [0,0,0,1,0,1|1,0,0]=3 113 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 MC441210 [0,0,0,1,0,1|1,0,1]=4 114 B10R1.113 CC(=O)C1=NC=CC(F)=C1 MC430529 [0,0,0,1,0,1|1,0,1]=4 115 B10R1.113 CC(=O)C1=NC=CC(O)=N1 MC430457 [0,0,0,1,0,1|2,0,0]=4 116 B10R1.113 CC1=CC(C(=O)O)=CN=C1 CS20319 [0,0,0,1,0,1|1,0,1]=4 117 B10R1.113 CC1=CC(C(=O)O)=NC=C1 CS22984 [0,0,0,1,0,1|1,0,1]=4 118 B10R1.113 CC1=CC(C(N)=O)=CN=C1 MC33520 [0,0,0,1,0,1|1,0,1]=4 119 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 MC20748 [0,0,0,1,0,1|1,0,1]=4 120 B10R1.113 CC1=CC=CC(C(=O)O)=C1 CS19799 [0,0,0,1,0,1|1,0,1]=4 121 B10R1.113 CC1=CC=CC(C(=O)O)=N1 CS16317 [0,0,0,1,0,1|2,0,0]=4 122 B10R1.113 CC1=NC(C(=O)O)=CN=C1 MC10465 [0,0,0,1,0,1|2,0,0]=4 123 B10R1.113 CC1=NC(C(=O)O)=NC=C1 MC104691 [0,0,0,1,0,1|2,0,0]=4 124 B10R1.113 CC1=NC=CC(C(=O)O)=C1 CS19546 [0,0,0,1,0,1|1,0,1]=4 125 B10R1.113 CC1=NC=CC(C(=O)O)=N1 CS19716 [0,0,0,1,0,1|2,0,0]=4 126 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [0,1,0,1,0,0|1,0,1]=4 127 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 CS17999 [0,1,0,1,0,0|1,0,1]=4 128 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [0,1,0,1,0,0|0,0,1]=3 129 B10R1.13 CC(=O)C1=CC=C(C)N=N1 MC112296 [0,1,0,1,0,0|1,0,0]=3 130 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [0,1,0,1,0,0|1,0,1]=4 131 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS19687 [0,1,0,1,0,0|1,0,1]=4 132 B10R1.13 CC(=O)C1=CC=C(Cl)N=N1 MC104987 [0,1,0,1,0,0|2,0,0]=4 133 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [0,1,0,1,0,0|1,0,1]=4 134 B10R1.13 CC(=O)C1=CC=C(F)N=C1 CS16982 [0,1,0,1,0,0|1,0,1]=4 135 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [0,1,0,1,0,0|1,0,1]=4 136 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [0,1,0,1,0,0|1,0,1]=4 137 B10R1.13 CC(=O)C1=CC=C(O)N=C1 CS12692 [0,1,0,1,0,0|1,0,1]=4 138 B10R1.13 CC(=O)C1=CN=C(C)C=C1 MC428167 [0,1,0,1,0,0|0,0,1]=3 139 B10R1.13 CC(=O)C1=CN=C(C)N=C1 MC444074 [0,1,0,1,0,0|1,0,1]=4 140 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CS16977 [0,1,0,1,0,0|1,0,1]=4 141 B10R1.13 CC(=O)C1=NC=C(C)C=C1 MC443649 [0,1,0,1,0,0|0,0,1]=3 142 B10R1.13 CC(=O)C1=NC=C(C)N=C1 MC444078 [0,1,0,1,0,0|1,0,1]=4 143 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 CS16979 [0,1,0,1,0,0|1,0,1]=4 144 B10R1.13 CC(=O)C1=NC=C(F)C=C1 MC106404 [0,1,0,1,0,0|1,0,1]=4 145 B10R1.13 CC(=O)C1=NC=C(N)C=C1 MC442802 [0,1,0,1,0,0|1,0,1]=4 146 B10R1.13 CC(=O)C1CC=C(C)CC1 CS14813 [0,1,0,1,0,0|0,0,2]=4 147 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [0,1,0,1,0,0|1,0,1]=4 148 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 MC40494 [0,1,0,1,0,0|1,0,1]=4 149 B10R1.13 CC1=CC=C(C(=O)O)C=C1 MC40304 [0,1,0,1,0,0|1,0,1]=4 150 B10R1.13 CC1=CC=C(C(N)=O)C=C1 CS11895 [0,1,0,1,0,0|1,0,1]=4 151 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS10458 [0,1,0,1,0,0|1,0,1]=4 152 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS17310 [0,1,0,1,0,0|1,0,1]=4 153 B10R1.13 CC1=NC=C(C(=O)O)C=C1 CS20324 [0,1,0,1,0,0|1,0,1]=4 154 B10R1.13 CC1=NC=C(C(N)=O)C=C1 CS18427 [0,1,0,1,0,0|1,0,1]=4 155 B10R1.13 Cc1ccc(C(C)C)cc1 MC444976 [0,1,0,1,0,0|1,0,1]=4 156 B10R1.14 CCC(=O)C1=CC=C(C)O1 MC41697 [0,1,0,1,0,0|1,0,0]=3 157 B10R1.14 COC(=O)C1=CC=C(Br)N1 CS13213 [0,1,0,1,0,0|2,0,0]=4 158 B10R1.14 COC(=O)C1=CC=C(Br)O1 CS19025 [0,1,0,1,0,0|2,0,0]=4 159 B10R1.14 COC(=O)C1=CC=C(Br)S1 CS10309 [0,1,0,1,0,0|2,0,0]=4 160 B10R1.14 COC(=O)C1=CC=C(Cl)O1 MC41693 [0,1,0,1,0,0|2,0,0]=4 161 B10R1.14 COC(=O)C1=CC=C(Cl)S1 CS17193 [0,1,0,1,0,0|2,0,0]=4 162 B10R1.14 COC(=O)C1=COC(C)=N1 CS19368 [0,1,0,1,0,0|2,0,0]=4 163 B10R1.14 COC(=O)C1=NC(C)=CS1 CS11649 [0,1,0,1,0,0|2,0,0]=4 164 B10R1.14 COC(=O)C1=NC=C(C)S1 MC20969 [0,1,0,1,0,0|2,0,0]=4 165 B10R1.31 O=C(O)C1=CC=C(CO)O1 CS19449 [0,1,0,1,0,0|2,0,0]=4 166 B10R1.194 CC(=O)C1=CNC(Br)=C1C MC442582 [0,1,0,1,0,0|2,0,0]=4 167 B10R1.194 CC1=CNC(C(=O)O)=C1C CS16854 [0,1,0,1,0,0|2,0,0]=4 168 B10R1.194 CN1C(Br)=CC=C1C(=O)O CS12581 [0,1,0,1,0,0|2,0,0]=4 169 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 CS16987 [0,1,0,1,0,0|1,0,1]=4 170 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 CS15301 [0,1,0,1,0,0|2,0,0]=4 171 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 CS20462 [0,1,0,1,0,0|1,0,1]=4 172 B6R0.2 CC(=O)\C=C(/C)N MC105899 [0,0,0,0,2,0|1,0,0]=3 173 B6R0.2 CC(C)=CC(=O)O CS14947 [0,0,0,0,2,0|1,0,0]=3