0 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 MC21104 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.3 N#CC1=CC=C(CCC(=O)O)C=C1 CS21838 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.3 O=CC1=CC=C(CCC(=O)O)C=C1 MC442241 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 CS14964 [1,0,0,0,0,0|1,0,0]=2 4 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 MC431712 [1,0,0,0,0,0|2,0,1]=4 5 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 MC41308 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 MC40217 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 CS21832 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS21674 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 CS19854 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 CS21107 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CS15820 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.71 CCC#CC1=CC=C(OC)C=C1 MC103263 [1,0,0,0,0,0|1,0,2]=4 13 B14R1.3 COC1=CC=C(CC(N)C(=O)O)C=C1 MC438286 [0,1,0,0,0,0|2,0,0]=3 14 B14R1.3 COC1=CC=C(NC(=S)C(=O)O)C=C1 MC425542 [0,1,0,0,0,0|3,0,0]=4 15 B14R1.3 COC1=CC=C(OC(C)C(=O)O)C=C1 CS11953 [0,1,0,0,0,0|3,0,0]=4 16 B14R1.3 COC1=CC=C(OC(C)C(=O)O)C=C1 CS20083 [0,1,0,0,0,0|3,0,0]=4 17 B14R1.3 COc1ccc(CC(N)C(=O)O)cc1 MC438287 [0,1,0,0,0,0|2,0,0]=3 18 B14R1.3 COc1ccc(CC(N)C(=O)O)cc1 MC438288 [0,1,0,0,0,0|2,0,0]=3 19 B14R1.3 COc1ccc(CC(N)C(=O)O)cc1 MC439364 [0,1,0,0,0,0|2,0,0]=3 20 B14R1.5 COC(=O)C#CC1=CC=C(OC)C=C1 MC430364 [0,1,0,0,0,0|1,0,1]=3 21 B14R1.103 COC1=CC(Cl)=C(\C=C\C(=O)O)C=C1 MC40210 [0,1,0,0,0,0|2,0,1]=4 22 B14R1.419 CC(=O)OCc1ccc(C(=O)O)cc1 MC439214 [0,1,0,0,0,0|2,0,0]=3 23 B14R1.419 O=C(Cl)OCC1=CC=C([N+](=O)[O-])C=C1 MC20588 [0,1,0,0,0,0|3,0,0]=4 24 B14R2.134 COC1=CC2=CC(=O)NC=C2C=C1 CS16657 [0,0,0,1,0,0|1,0,2]=4 25 B14R2.134 COC1=CC=C2C=NC(C)=CC2=C1 MC33414 [0,0,0,1,0,0|2,0,1]=4 26 B14R2.134 COC1=CC=C2CCC(=O)NC2=C1 CS15545 [0,0,0,1,0,0|2,0,0]=3 27 B14R2.134 COC1=CC=C2CCC(N)CC2=C1 MC42041 [0,0,0,1,0,0|2,0,1]=4 28 B14R2.134 COC1=CC=C2OCC(=O)CC2=C1 MC442814 [0,0,0,1,0,0|2,0,0]=3 29 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 CS22530 [0,0,0,0,1,0|3,0,0]=4 30 B12R1.4 CC(=O)OC1=CC=C(C=O)C=C1 MC40005 [0,0,0,0,1,0|2,0,0]=3 31 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 MC20892 [0,0,0,0,1,0|1,0,0]=2 32 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 CS13446 [0,0,0,0,1,0|1,0,0]=2 33 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 CS11110 [0,0,0,0,1,0|0,0,0]=1 34 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 MC427407 [0,0,0,0,1,0|1,0,0]=2 35 B12R1.4 COC1=CC=C(NC(C)=S)C=C1 MC427413 [0,0,0,0,1,0|1,1,0]=3 36 B12R1.4 COC1=CC=C(OC(=O)Cl)C=C1 MC40014 [0,0,0,0,1,0|1,0,0]=2 37 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 CS18357 [0,0,0,0,1,0|3,0,0]=4 38 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 CS16100 [0,0,0,0,1,0|3,0,0]=4 39 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 MC40138 [0,0,0,0,1,0|3,0,0]=4 40 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 MC40152 [0,0,0,0,1,0|3,0,0]=4 41 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 MC431953 [0,0,0,0,1,0|3,0,0]=4 42 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 CS21951 [0,0,0,0,0,1|2,0,0]=3 43 B14R1.4 COC1=CC=C(CCCC(N)=O)C=C1 MC10354 [0,0,0,0,0,1|2,0,0]=3 44 B11R1.1 CC1=CC=C(\C=C\C=O)C=C1 CS16393 [2,0,0,0,0,0|1,0,1]=4 45 B11R1.1 CCOCC1=CC=C(O)C=C1 CS16541 [2,0,0,0,0,0|0,0,1]=3 46 B11R1.1 CNCCC1=CC=C(O)C=C1 MC426074 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.1 COCCC1=CC=C(O)C=C1 MC445496 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.91 CC(=O)OCC1=CC=CN=C1 MC33425 [2,0,0,0,0,0|1,0,0]=3 50 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [2,0,0,0,0,0|1,0,0]=3 51 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [2,0,0,0,0,0|1,0,0]=3 52 B11R1.83 CNCC1=CC=C(OC)C=C1 CS18429 [2,0,0,0,0,0|1,0,0]=3 53 B11R1.83 COC1=CC=C(CC#N)C=C1 CS13459 [2,0,0,0,0,0|1,0,1]=4 54 B11R1.83 COC1=CC=C(CNN)C=C1 CS20199 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.83 COC1=CC=C(CNO)C=C1 MC106878 [2,0,0,0,0,0|1,0,1]=4 56 B11R1.83 COC1=CC=C(CON)C=C1 CS20566 [2,0,0,0,0,0|1,0,0]=3 57 B11R1.83 COC1=CC=C(N=C=O)C=C1 MC41047 [2,0,0,0,0,0|1,0,1]=4 58 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 CS10928 [2,0,0,0,0,0|0,0,1]=3 59 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 CS10929 [2,0,0,0,0,0|0,0,1]=3 60 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 CS12844 [1,1,0,0,0,0|2,0,0]=4 61 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 CS11125 [1,1,0,0,0,0|1,0,0]=3 62 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 CS11646 [1,1,0,0,0,0|1,0,1]=4 63 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 MC40106 [1,1,0,0,0,0|1,0,1]=4 64 B13R1.133 Cc1ccc(CC(N)C(=O)O)cc1 MC437927 [1,1,0,0,0,0|2,0,0]=4 65 B13R1.133 Cc1ccc(CC(N)C(=O)O)cc1 MC437928 [1,1,0,0,0,0|2,0,0]=4 66 B13R1.133 NC(=O)C(N)Cc1ccc(O)cc1 MC438265 [1,1,0,0,0,0|2,0,0]=4 67 B13R1.133 NC(=O)C(N)Cc1ccc(O)cc1 MC438266 [1,1,0,0,0,0|2,0,0]=4 68 B13R1.133 NC(=O)C(N)Cc1ccc(O)cc1 MC439196 [1,1,0,0,0,0|2,0,0]=4 69 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O CS19139 [1,1,0,0,0,0|2,0,0]=4 70 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O CS19180 [1,1,0,0,0,0|2,0,0]=4 71 B13R1.133 [15NH2]C(Cc1ccc(O)cc1)C(=O)O MC438264 [1,1,0,0,0,0|2,0,0]=4 72 B13R1.164 O=C(O)CCC1=C(Cl)C=C(O)C=C1 MC40198 [1,1,0,0,0,0|2,0,0]=4 73 B13R1.371 COC1=CC=C(CCCCN)C=C1 MC10363 [1,1,0,0,0,0|1,0,1]=4 74 B13R1.371 COC1=CC=C(CCCCO)C=C1 CS14733 [1,1,0,0,0,0|1,0,1]=4 75 B13R1.4 COC1=CC=C(CC(C)(C)N)C=C1 MC445286 [0,1,0,0,1,0|1,0,1]=4 76 B13R1.35 COC1=C(Br)C=C(CC(=O)O)C=C1 MC40149 [0,1,0,0,1,0|1,0,0]=3 77 B13R1.35 COC1=C(C)C=C(CC(=O)O)C=C1 CS11122 [0,1,0,0,1,0|1,0,0]=3 78 B13R1.35 COC1=C(F)C=C(CC(=O)O)C=C1 MC40168 [0,1,0,0,1,0|1,0,0]=3 79 B13R1.35 COC1=C(F)C=C(NC(C)=O)C=C1 MC106799 [0,1,0,0,1,0|1,0,0]=3 80 B13R1.36 COC1=CC=C(C(=O)C(C)=O)C=C1 CS18460 [0,1,0,0,1,0|0,0,1]=3 81 B13R1.36 COC1=CC=C(C(C)C(=O)O)C=C1 MC106807 [0,1,0,0,1,0|1,0,0]=3 82 B13R1.36 COC1=CC=C(C(O)C(=O)O)C=C1 CS14677 [0,1,0,0,1,0|1,0,0]=3 83 B13R1.36 COC1=CC=C(C(O)C(=O)O)C=C1 CS20288 [0,1,0,0,1,0|1,0,0]=3 84 B13R1.36 COC1=CC=C(C(O)C(C)C)C=C1 MC33344 [0,1,0,0,1,0|1,0,1]=4 85 B13R1.142 CCCC1=CC=C(CC(=O)O)C=C1 MC40189 [0,1,0,0,1,0|2,0,0]=4 86 B13R1.585 CC(=O)CC1=CC=C([N+](=O)[O-])C=C1 MC41290 [0,1,0,0,1,0|2,0,0]=4 87 B13R1.585 CC(=O)OC1=CC=C([N+](=O)[O-])C=C1 MC33268 [0,1,0,0,1,0|2,0,0]=4 88 B13R1.653 COC1=CC(Br)=C(CC(=O)O)C=C1 MC40148 [0,1,0,0,1,0|1,0,0]=3 89 B13R1.653 COC1=CC(Cl)=C(CC(=O)O)C=C1 MC20587 [0,1,0,0,1,0|1,0,0]=3 90 B13R1.653 COC1=CC(Cl)=C(CC(C)=O)C=C1 MC110578 [0,1,0,0,1,0|0,0,0]=2 91 B13R1.653 COC1=CC(F)=C(CC(=O)O)C=C1 CS16204 [0,1,0,0,1,0|1,0,0]=3 92 B15R1.204 COC1=CC=C(CC(=O)CC(=O)Cl)C=C1 MC106010 [0,1,0,0,0,1|2,0,0]=4 93 B15R1.204 COC1=CC=C(CC(=O)CC(=O)O)C=C1 MC105957 [0,1,0,0,0,1|2,0,0]=4 94 B15R1.204 COC1=CC=C(NC(=O)CC(C)=O)C=C1 CS11431 [0,1,0,0,0,1|1,0,1]=4 95 B15R1.206 COC(=O)CCCC1=CC=C(OC)C=C1 CS17079 [0,1,0,0,0,1|1,0,0]=3 96 B15R1.211 COC(=O)CC(=O)C1=CC=C(OC)C=C1 CS18169 [0,2,0,0,0,0|1,0,1]=4 97 B15R1.3776 COC1=C(O)C=C(C(N)CC(=O)O)C=C1 MC106626 [0,2,0,0,0,0|2,0,0]=4 98 B15R1.3 COC(=O)C(N)CC1=CC=C(OC)C=C1 MC435301 [0,2,0,0,0,0|1,0,0]=3 99 B15R1.208 CNC(CC1=CC=C(OC)C=C1)C(=O)O MC435518 [0,2,0,0,0,0|2,0,0]=4 100 B15R1.208 CNC(Cc1ccc(OC)cc1)C(=O)O MC437985 [0,2,0,0,0,0|2,0,0]=4 101 B15R1.216 COC1=CC=C(CC(C)(C)C(=O)Cl)C=C1 MC105995 [0,2,0,0,0,0|2,0,0]=4 102 B15R1.216 COC1=CC=C(CC(C)(C)C(=O)O)C=C1 MC105942 [0,2,0,0,0,0|2,0,0]=4 103 B15R1.12854 COC1=C(OC)C=C(CCC(=O)O)C=C1 CS10079 [0,2,0,0,0,0|2,0,0]=4 104 B13R2.155 O=C1CCC2=CC=C(Br)C=C2C1 MC111869 [1,0,0,1,0,0|2,0,0]=4 105 B13R2.155 O=C1CCC2=CC=C(O)C=C2C1 CS18274 [1,0,0,1,0,0|1,0,0]=3 106 B13R2.155 O=C1CCC2=CC=C(O)C=C2N1 CS21727 [1,0,0,1,0,0|2,0,0]=4 107 B13R2.57 COC1=CC=C2CNCCC2=C1 CS18370 [1,0,0,1,0,0|1,0,1]=4 108 B13R2.669 COC1=CC=C2CCC(=O)C2=C1 CS10008 [1,0,0,1,0,0|1,0,0]=3 109 B13R2.669 N#CC1=CC=C2COC(=O)C2=C1 CS16649 [1,0,0,1,0,0|2,0,0]=4 110 B13R2.2121 CNC1=CC2=C(C=C1)OC(C)=N2 MC100356 [0,0,0,1,1,0|2,0,0]=4 111 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)N2 MC425727 [0,0,0,1,1,0|2,0,0]=4 112 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)O2 CS10723 [0,0,0,1,1,0|1,0,1]=4 113 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)S2 CS10722 [0,0,0,1,1,0|1,1,0]=4 114 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)S2 MC31142 [0,0,0,1,1,0|2,0,0]=4 115 B13R2.2121 COC1=CC2=C(C=C1)SC(=O)N2 CS16845 [0,0,0,1,1,0|1,1,0]=4 116 B13R2.2121 COC1=CC=C2CC(=O)NC2=C1 CS15903 [0,0,0,1,1,0|1,0,0]=3 117 B13R2.2121 COC1=CC=C2NC(C)=CC2=C1 MC10333 [0,0,0,1,1,0|2,0,0]=4 118 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 MC10315 [1,0,0,0,1,0|1,0,0]=3 119 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 CS22844 [1,0,0,0,1,0|1,0,0]=3 120 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 MC428013 [1,0,0,0,1,0|1,0,0]=3 121 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 MC33116 [1,0,0,0,1,0|2,0,0]=4 122 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 MC40002 [1,0,0,0,1,0|1,0,0]=3 123 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 MC20138 [1,0,0,0,1,0|1,0,0]=3 124 B11R1.20 CC(=O)OC1=CC=C(I)C=C1 MC103137 [1,0,0,0,1,0|1,0,0]=3 125 B11R1.20 CC(C)OC1=CC=C(O)C=C1 MC443483 [1,0,0,0,1,0|1,0,1]=4 126 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 CS21084 [1,0,0,0,1,0|1,0,0]=3 127 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 MC429948 [1,0,0,0,1,0|2,0,0]=4 128 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 CS14692 [1,0,0,0,1,0|2,0,0]=4 129 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 CS21002 [1,0,0,0,1,0|2,0,0]=4 130 B11R1.20 O=C(Cl)Oc1ccc(Br)cc1 MC434070 [1,0,0,0,1,0|2,0,0]=4 131 B11R1.20 O=C(Cl)Oc1ccc(F)cc1 MC434069 [1,0,0,0,1,0|2,0,0]=4 132 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 CS20812 [1,0,0,0,1,0|2,0,0]=4 133 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 MC40158 [1,0,0,0,1,0|2,0,0]=4 134 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 CS10817 [1,0,0,0,1,0|2,0,0]=4 135 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 CS20852 [1,0,0,0,1,0|2,0,0]=4 136 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 MC40180 [1,0,0,0,1,0|1,0,0]=3 137 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 MC40184 [1,0,0,0,1,0|1,1,0]=4 138 B11R1.3 C(C)(N)C1=CC=C(OC)C=C1 MC20521 [0,0,0,0,2,0|1,0,1]=4 139 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 MC20903 [0,0,0,0,2,0|1,0,0]=3 140 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 CS18730 [0,0,0,0,2,0|2,0,0]=4 141 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 CS12193 [0,0,0,0,2,0|2,0,0]=4 142 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 CS13406 [0,0,0,0,2,0|2,0,0]=4 143 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 MC20232 [0,0,0,0,2,0|2,0,0]=4 144 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 MC20515 [0,0,0,0,2,0|1,0,0]=3 145 B11R1.3 COC1=CC=C(C(C)=O)C=C1 MC41262 [0,0,0,0,2,0|0,0,0]=2 146 B11R1.3 COC1=CC=C(C(C)=O)C=N1 CS20044 [0,0,0,0,2,0|1,0,0]=3 147 B11R1.3 COC1=CC=C(C(C)C)C=C1 MC41346 [0,0,0,0,2,0|1,0,1]=4 148 B11R1.3 COC1=CC=C(C(C)N)C=C1 CS13954 [0,0,0,0,2,0|1,0,1]=4 149 B11R1.3 COC1=CC=C(N(C)C)C=C1 MC20811 [0,0,0,0,2,0|2,0,0]=4 150 B11R1.3 COC1=CN=C(C(=O)O)C=C1 CS18937 [0,0,0,0,2,0|2,0,0]=4 151 B11R1.3 COC1=CN=C(C(C)=O)C=C1 MC105069 [0,0,0,0,2,0|1,0,0]=3 152 B11R1.3 COC1=NC=C(C(=O)O)C=C1 CS10490 [0,0,0,0,2,0|2,0,0]=4 153 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 CS15672 [1,0,0,0,0,1|2,0,0]=4 154 B13R1.643 COC1=CC(COC(C)=O)=NC=C1 MC33432 [0,0,0,0,1,1|0,0,0]=2