0 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 CS21656 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.125 O=C(O)CCN1C=CC=CC1=O CS12670 [0,0,0,0,0,0|1,0,3]=4 2 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 MC106617 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.125 O=C(O)CNc1ccccc1Cl MC439220 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 CS10967 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 MC106741 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS21725 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS10957 [1,0,0,0,0,0|0,0,2]=3 11 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425129 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425915 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.91 O=C(O)COC1=CC=NC=C1 MC443726 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 MC40211 [1,0,0,0,0,0|0,0,0]=1 16 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20186 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20799 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 MC443830 [1,0,0,0,0,0|1,0,1]=3 19 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 MC442565 [1,0,0,0,0,0|1,0,1]=3 20 B13R1.90 O=C(O)COC1=C(CO)C=CC=C1 MC445707 [0,1,0,0,0,0|1,0,1]=3 21 B13R1.150 O=C(O)CCC1=C(F)C(Br)=CC=C1 CS13286 [0,1,0,0,0,0|1,0,2]=4 22 B13R1.164 O=C(O)CCC1=C(Cl)C=C(O)C=C1 MC40198 [0,1,0,0,0,0|1,0,2]=4 23 B13R1.164 O=C(O)CCC1=C(F)C=C(Br)C=C1 MC425736 [0,1,0,0,0,0|1,0,2]=4 24 B13R1.164 O=C(O)CCC1=C(F)C=C(F)C=C1 MC40200 [0,1,0,0,0,0|1,0,2]=4 25 B13R1.164 O=C(O)CNC1=C(F)C=C(F)C=C1 MC116288 [0,1,0,0,0,0|2,0,1]=4 26 B13R1.164 O=C(O)COC1=C(Cl)C=C(Cl)C=C1 CS16351 [0,1,0,0,0,0|2,0,1]=4 27 B13R1.164 O=C(O)COC1=C(O)C=C(Cl)C=C1 CS16588 [0,1,0,0,0,0|1,0,1]=3 28 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(Br)C=C1 MC30040 [0,1,0,0,0,0|1,0,0]=2 29 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(Cl)C=C1 MC40212 [0,1,0,0,0,0|1,0,0]=2 30 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(O)C=C1 MC40209 [0,1,0,0,0,0|1,0,0]=2 31 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(Br)C=C1 MC40207 [0,1,0,0,0,0|1,0,0]=2 32 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(F)C=C1 MC40213 [0,1,0,0,0,0|1,0,0]=2 33 B13R1.201 CC1=C(C(N)CC(=O)O)C=CC=C1 CS20342 [0,1,0,0,0,0|1,0,2]=4 34 B13R1.201 NC(CC(=O)O)C1=C(F)C=CC=C1 MC429426 [0,1,0,0,0,0|1,0,2]=4 35 B13R1.202 Cc1ccccc1CC(N)C(=O)O MC439281 [0,1,0,0,0,0|1,0,2]=4 36 B13R1.202 NC(CC1=C(Cl)C=CC=C1)C(=O)O CS13435 [0,1,0,0,0,0|1,0,2]=4 37 B13R1.202 NC(CC1=C(Cl)C=CC=C1)C(=O)O CS18722 [0,1,0,0,0,0|1,0,2]=4 38 B13R1.202 NC(CC1=C(F)C=CC=C1)C(=O)O MC428049 [0,1,0,0,0,0|1,0,2]=4 39 B13R1.202 NC(CC1=C(F)C=CC=C1)C(=O)O MC429431 [0,1,0,0,0,0|1,0,2]=4 40 B13R1.202 NC(Cc1ccccc1Br)C(=O)O MC439172 [0,1,0,0,0,0|1,0,2]=4 41 B13R1.202 NC(Cc1ccccc1Br)C(=O)O MC439350 [0,1,0,0,0,0|1,0,2]=4 42 B13R1.202 NC(Cc1ccccc1Cl)C(=O)O MC439094 [0,1,0,0,0,0|1,0,2]=4 43 B13R1.202 NC(Cc1ccccc1F)C(=O)O MC439092 [0,1,0,0,0,0|1,0,2]=4 44 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 MC433966 [0,1,0,0,0,0|1,0,2]=4 45 B13R1.893 CC1=CC(OCC(=O)O)=C(C)C=C1 MC41820 [0,1,0,0,0,0|2,0,1]=4 46 B13R1.893 O=C(O)\C=C\C1=C(F)C=CC(F)=C1 MC40214 [0,1,0,0,0,0|1,0,0]=2 47 B13R1.3787 O=C(O)\C=C\C1=C(F)C=CC=C1F MC30192 [0,1,0,0,0,0|1,0,0]=2 48 B13R1.3787 O=C(O)\C=C\C1=C(F)C=CC=C1F MC429413 [0,1,0,0,0,0|1,0,0]=2 49 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 CS11315 [0,0,0,1,0,0|1,1,0]=3 50 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 CS21212 [0,0,0,1,0,0|2,0,0]=3 51 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 MC33362 [0,0,0,1,0,0|3,0,0]=4 52 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 CS12977 [0,0,0,1,0,0|2,0,0]=3 53 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)N1 CS16659 [0,0,0,1,0,0|3,0,0]=4 54 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 CS21478 [0,0,0,1,0,0|0,0,0]=1 55 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 CS21476 [0,0,0,1,0,0|0,1,0]=2 56 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 CS14473 [0,0,0,1,0,0|2,0,0]=3 57 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 MC441179 [0,0,0,1,0,0|1,1,0]=3 58 B13R2.435 O=C(O)C1=CC2=C(C=NC=N2)N1 MC105516 [0,0,0,1,0,0|3,0,0]=4 59 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 CS22268 [0,0,0,1,0,0|1,0,0]=2 60 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 MC444444 [0,0,0,1,0,0|2,0,0]=3 61 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 MC441174 [0,0,0,1,0,0|1,1,0]=3 62 B13R2.435 O=C(O)C1=CC2=CC=NC=C2N1 CS18576 [0,0,0,1,0,0|2,0,0]=3 63 B13R2.435 O=C(O)C1=CC2=CC=NC=C2O1 MC115550 [0,0,0,1,0,0|1,0,0]=2 64 B13R2.435 O=C(O)C1=CC2=CC=NC=C2S1 MC441326 [0,0,0,1,0,0|1,1,0]=3 65 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 CS15306 [0,0,0,1,0,0|2,0,0]=3 66 B13R2.435 O=C(O)C1=CC2=NC=CC=C2S1 MC441901 [0,0,0,1,0,0|1,1,0]=3 67 B13R2.435 O=C(O)C1=CC2=NC=CN=C2S1 MC441335 [0,0,0,1,0,0|2,1,0]=4 68 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 CS18408 [0,0,0,1,0,0|2,0,0]=3 69 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 MC443785 [0,0,0,1,0,0|3,0,0]=4 70 B13R2.435 O=C(O)C1=CN2C=CN=CC2=N1 MC100039 [0,0,0,1,0,0|3,0,0]=4 71 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 CS18211 [0,0,0,1,0,0|2,0,0]=3 72 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 MC442734 [0,0,0,1,0,0|1,0,0]=2 73 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 CS10508 [0,0,0,1,0,0|1,1,0]=3 74 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 CS18273 [0,0,0,1,0,0|3,0,0]=4 75 B13R2.435 O=C(O)C1=NN2N=CC=CC2=C1 MC104992 [0,0,0,1,0,0|3,0,0]=4 76 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 CS11042 [0,0,0,1,0,0|1,0,2]=4 77 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 MC20135 [0,0,0,1,0,0|1,0,2]=4 78 B13R2.435 OB(O)C1=CC2=C(C=CC=C2)S1 MC440271 [0,0,0,1,0,0|1,1,1]=4 79 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 MC443731 [0,0,0,1,0,0|3,0,0]=4 80 B13R2.5179 CC1=NC2=CC=CC(N)=C2C=C1 MC41751 [0,0,0,1,0,0|3,0,0]=4 81 B13R2.5179 NC1=CC=C2C(=C1)C=CN=C2O MC33375 [0,0,0,1,0,0|3,0,0]=4 82 B13R2.5179 NC1=CC=CC2=CC(F)=CC=C12 MC432422 [0,0,0,1,0,0|3,0,0]=4 83 B13R2.5179 NC1=NC2=CC=CC(Br)=C2C=C1 MC441079 [0,0,0,1,0,0|3,0,0]=4 84 B13R2.5179 O=C1C=CC2=C(Cl)C=CC=C2N1 MC103322 [0,0,0,1,0,0|2,0,0]=3 85 B13R2.5179 O=C1C=CC2=C(Cl)C=CN=C2N1 MC107489 [0,0,0,1,0,0|3,0,0]=4 86 B13R2.5179 O=C1COC2=C(C=CC=C2O)N1 MC441078 [0,0,0,1,0,0|2,0,1]=4 87 B13R2.5179 OC1=CC=C2C(=C1)C=CN=C2Cl MC111225 [0,0,0,1,0,0|3,0,0]=4 88 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 CS15075 [0,0,0,1,0,0|1,0,0]=2 89 B13R2.5179 OC1=CC=C2C(O)=CC=NC2=C1 MC425086 [0,0,0,1,0,0|2,0,0]=3 90 B13R2.5179 OC1=CC=CC2=CC(Br)=CC=C12 CS16736 [0,0,0,1,0,0|2,0,0]=3 91 B13R2.5179 OC1=CC=CC2=CC(F)=CC=C12 MC431749 [0,0,0,1,0,0|2,0,0]=3 92 B13R2.5179 OC1=CC=NC2=CC(Br)=CC=C12 CS15357 [0,0,0,1,0,0|3,0,0]=4 93 B13R2.5179 OC1=CC=NC2=CC(F)=CC=C12 MC431988 [0,0,0,1,0,0|3,0,0]=4 94 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 MC10294 [0,0,0,0,1,0|2,0,1]=4 95 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 MC10318 [0,0,0,0,1,0|2,0,1]=4 96 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 MC427446 [0,0,0,0,1,0|3,0,0]=4 97 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 CS21203 [0,0,0,0,1,0|2,0,0]=3 98 B11R1.86 CC(=O)NC1=NC=CC=C1O MC427313 [0,0,0,0,1,0|3,0,0]=4 99 B11R1.86 CC(=O)OC1=C(C)C=CC=C1 MC40007 [0,0,0,0,1,0|3,0,0]=4 100 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 CS21083 [0,0,0,0,1,0|1,0,1]=3 101 B11R1.86 NC1=C(CC(=O)O)C=CC=C1 CS20995 [0,0,0,0,1,0|1,0,1]=3 102 B11R1.86 NC1=C(CC(=O)O)C=NC=C1 MC111253 [0,0,0,0,1,0|2,0,1]=4 103 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 CS20809 [0,0,0,0,1,0|1,0,1]=3 104 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 CS20826 [0,0,0,0,1,0|1,0,1]=3 105 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 MC429403 [0,0,0,0,1,0|1,0,1]=3 106 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 CS20849 [0,0,0,0,1,0|1,0,1]=3 107 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 CS20941 [0,0,0,0,1,0|0,0,1]=2 108 B11R1.86 O=C(O)CC1=CC=CN=C1F MC429275 [0,0,0,0,1,0|2,0,1]=4 109 B11R1.86 O=C(O)CC1=CC=CNC1=O MC430201 [0,0,0,0,1,0|1,0,2]=4 110 B11R1.86 O=C(O)CC1=NC=CC=C1Cl CS19561 [0,0,0,0,1,0|2,0,1]=4 111 B11R1.86 O=C(O)CC1=NC=CC=C1F MC431700 [0,0,0,0,1,0|2,0,1]=4 112 B11R1.86 O=C(O)CC1=NC=CC=C1F MC432211 [0,0,0,0,1,0|2,0,1]=4 113 B10R1.4 O=CCC1=C(F)C=CC=C1 MC431003 [2,0,0,0,0,0|1,0,1]=4 114 B10R1.4 O\N=C\C1=C(F)C=CC=C1 MC106948 [2,0,0,0,0,0|2,0,0]=4 115 B10R1.4 O\N=C\C1=C(F)C=CC=C1 MC433456 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.17 ClC\C=C\C1=CC=CC=C1 MC41818 [2,0,0,0,0,0|1,0,1]=4 117 B10R1.17 O=CC#CC1=CC=CC=C1 CS18196 [2,0,0,0,0,0|0,0,2]=4 118 B12R1.121 COC1=C(OCC=O)C=CC=C1 MC112452 [1,1,0,0,0,0|1,0,1]=4 119 B12R1.121 COC1=C(\C=C\C=O)C=CC=C1 CS15311 [1,1,0,0,0,0|0,0,0]=2 120 B12R1.374 O=C\C=C\C1=C(O)C=CC(Cl)=C1 MC111789 [1,1,0,0,0,0|0,0,0]=2 121 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 MC431712 [1,1,0,0,0,0|1,0,0]=3 122 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 MC41308 [1,1,0,0,0,0|1,0,0]=3 123 B12R1.21 CC(O)\C=C\C1=CC=C(Br)C=C1 MC106116 [1,1,0,0,0,0|1,0,1]=4 124 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 MC40217 [1,1,0,0,0,0|0,0,0]=2 125 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 CS21832 [1,1,0,0,0,0|0,0,2]=4 126 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS21674 [1,1,0,0,0,0|0,0,2]=4 127 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 CS19854 [1,1,0,0,0,0|0,0,2]=4 128 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 CS21107 [1,1,0,0,0,0|0,0,2]=4 129 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 MC41825 [1,1,0,0,0,0|1,0,1]=4 130 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 CS21504 [1,1,0,0,0,0|0,0,0]=2 131 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 MC429571 [1,1,0,0,0,0|0,0,0]=2 132 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CS15820 [1,1,0,0,0,0|0,0,0]=2 133 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(F)C=C1 MC41593 [1,1,0,0,0,0|1,0,1]=4 134 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(O)C=C1 CS22887 [1,1,0,0,0,0|1,0,1]=4 135 B12R1.21 OB(O)\C=C\C1=CC=C(F)C=C1 MC443815 [1,1,0,0,0,0|1,0,1]=4 136 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [1,1,0,0,0,0|0,0,2]=4 137 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O MC445160 [1,1,0,0,0,0|0,0,1]=3 138 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O MC20809 [1,1,0,0,0,0|1,0,1]=4 139 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS15443 [1,1,0,0,0,0|0,0,2]=4 140 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS18748 [1,1,0,0,0,0|0,0,2]=4 141 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS21178 [1,1,0,0,0,0|0,0,2]=4 142 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS15800 [1,1,0,0,0,0|0,0,2]=4 143 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS21095 [1,1,0,0,0,0|0,0,2]=4 144 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 MC438099 [1,1,0,0,0,0|0,0,2]=4 145 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [1,1,0,0,0,0|1,0,1]=4 146 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC42229 [1,1,0,0,0,0|0,0,2]=4 147 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC428246 [1,1,0,0,0,0|0,0,2]=4 148 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS22312 [1,1,0,0,0,0|0,0,2]=4 149 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 CS17400 [1,1,0,0,0,0|0,0,2]=4 150 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 CS21658 [1,1,0,0,0,0|0,0,2]=4 151 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 CS13948 [1,1,0,0,0,0|0,0,2]=4 152 B12R1.226 O=C(O)CCc1cccc(F)c1 MC40203 [1,1,0,0,0,0|0,0,2]=4 153 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 CS21499 [1,1,0,0,0,0|0,0,0]=2 154 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 CS21503 [1,1,0,0,0,0|0,0,0]=2 155 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 MC40208 [1,1,0,0,0,0|0,0,0]=2 156 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 CS10976 [1,1,0,0,0,0|0,0,0]=2 157 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 MC40216 [1,1,0,0,0,0|0,0,0]=2 158 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(Cl)=C1 MC41592 [1,1,0,0,0,0|1,0,1]=4 159 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(F)=C1 MC443665 [1,1,0,0,0,0|1,0,1]=4 160 B12R1.75 COC1=C(CC(=O)O)C=CC=C1 CS16300 [0,1,0,0,1,0|0,0,1]=3 161 B12R1.75 COC1=C(OC(C)=O)C=CC=C1 MC40006 [0,1,0,0,1,0|2,0,0]=4 162 B12R1.75 N#CC1=C(CC(=O)O)C=CC=C1 CS20129 [0,1,0,0,1,0|1,0,1]=4 163 B12R1.75 O=C(O)CC1=C(CCl)C=CC=C1 MC40157 [0,1,0,0,1,0|1,0,1]=4 164 B12R1.124 CC(C(=O)O)C1=C(Cl)C=CC=C1 CS21673 [0,1,0,0,1,0|1,0,1]=4 165 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 CS10848 [0,1,0,0,1,0|1,0,1]=4 166 B12R1.124 NC1=C(C(=O)C(=O)[O-])C=CC=C1 MC427207 [0,1,0,0,1,0|1,0,1]=4 167 B12R1.124 O=C(Cl)C(=O)C1=C(Cl)C=CC=C1 MC105996 [0,1,0,0,1,0|2,0,0]=4 168 B12R1.124 O=C(O)C(=O)C1=C(Br)C=CC=C1 CS16464 [0,1,0,0,1,0|1,0,0]=3 169 B12R1.124 O=C(O)C(Br)C1=C(Cl)C=CC=C1 MC20972 [0,1,0,0,1,0|1,0,1]=4 170 B12R1.124 O=C(O)C(O)C1=C(Cl)C=CC=C1 CS10783 [0,1,0,0,1,0|1,0,1]=4 171 B12R1.127 CC(=O)NC1=C(O)C=CC(Br)=C1 MC427097 [0,1,0,0,1,0|2,0,0]=4 172 B12R1.127 CC1=C(CC(=O)O)C=C(F)C=C1 MC40172 [0,1,0,0,1,0|1,0,1]=4 173 B12R1.127 CC1=CC(CC(=O)O)=C(C)C=C1 CS11111 [0,1,0,0,1,0|1,0,1]=4 174 B12R1.127 CC1=CC(CC(=O)O)=C(F)C=C1 MC40171 [0,1,0,0,1,0|1,0,1]=4 175 B12R1.127 O=C(O)CC1=C(Br)C=CC(Br)=C1 MC20981 [0,1,0,0,1,0|1,0,1]=4 176 B12R1.127 O=C(O)CC1=C(Br)C=CC(Cl)=C1 MC40143 [0,1,0,0,1,0|1,0,1]=4 177 B12R1.127 O=C(O)CC1=C(Br)C=CC(F)=C1 MC40144 [0,1,0,0,1,0|1,0,1]=4 178 B12R1.127 O=C(O)CC1=C(Cl)C=CC(Br)=C1 CS16490 [0,1,0,0,1,0|1,0,1]=4 179 B12R1.127 O=C(O)CC1=C(Cl)C=CC(Cl)=C1 MC33155 [0,1,0,0,1,0|1,0,1]=4 180 B12R1.127 O=C(O)CC1=C(Cl)C=CC(F)=C1 CS21465 [0,1,0,0,1,0|1,0,1]=4 181 B12R1.127 O=C(O)CC1=C(F)C=CC(Br)=C1 MC40145 [0,1,0,0,1,0|1,0,1]=4 182 B12R1.127 O=C(O)CC1=C(F)C=CC(Cl)=C1 MC33095 [0,1,0,0,1,0|1,0,1]=4 183 B12R1.127 O=C(O)CC1=C(F)C=CC(F)=C1 CS20739 [0,1,0,0,1,0|1,0,1]=4 184 B12R1.127 O=C(O)CC1=C(O)C=CC(Br)=C1 MC40147 [0,1,0,0,1,0|0,0,1]=3 185 B12R1.224 CC1=C(CC(=O)O)C=CC=C1F CS12682 [0,1,0,0,1,0|1,0,1]=4 186 B12R1.224 CC1=CC=CC(CC(=O)O)=C1C MC20108 [0,1,0,0,1,0|1,0,1]=4 187 B12R1.224 O=C(O)CC1=C(Cl)C(F)=CC=C1 CS13305 [0,1,0,0,1,0|1,0,1]=4 188 B12R1.224 O=C(O)CC1=C(F)C(F)=CC=C1 CS10729 [0,1,0,0,1,0|1,0,1]=4 189 B12R1.233 CC(=O)NC1=C(O)C=C(F)C=C1 MC427191 [0,1,0,0,1,0|2,0,0]=4 190 B12R1.233 CC1=C(CC(=O)O)C=CC(Br)=C1 MC107511 [0,1,0,0,1,0|1,0,1]=4 191 B12R1.233 CC1=CC(Br)=C(CC(=O)O)C=C1 MC106320 [0,1,0,0,1,0|1,0,1]=4 192 B12R1.233 CC1=CC(F)=C(CC(=O)O)C=C1 CS12730 [0,1,0,0,1,0|1,0,1]=4 193 B12R1.233 NC1=C(CC(=O)O)C=CC(F)=C1 MC429495 [0,1,0,0,1,0|1,0,1]=4 194 B12R1.233 NC1=CC(F)=C(CC(=O)O)C=C1 MC433931 [0,1,0,0,1,0|1,0,1]=4 195 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 CS19112 [0,1,0,0,1,0|1,0,1]=4 196 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 CS15278 [0,1,0,0,1,0|1,0,1]=4 197 B12R1.233 O=C(O)CC1=C(Cl)C=C(Br)C=C1 CS16319 [0,1,0,0,1,0|1,0,1]=4 198 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 CS10717 [0,1,0,0,1,0|1,0,1]=4 199 B12R1.233 O=C(O)CC1=C(Cl)C=C(F)C=C1 CS20709 [0,1,0,0,1,0|1,0,1]=4 200 B12R1.233 O=C(O)CC1=C(F)C=C(Br)C=C1 CS19772 [0,1,0,0,1,0|1,0,1]=4 201 B12R1.233 O=C(O)CC1=C(F)C=C(Cl)C=C1 MC40156 [0,1,0,0,1,0|1,0,1]=4 202 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 MC10349 [0,1,0,0,1,0|1,0,1]=4 203 B12R1.233 O=C(O)CC1=C(I)C=C(F)C=C1 MC432599 [0,1,0,0,1,0|1,0,1]=4 204 B12R1.233 O=C(O)CC1=C(O)C=C(F)C=C1 MC429494 [0,1,0,0,1,0|0,0,1]=3 205 B12R1.1009 CC1=C(CC(=O)O)C(O)=NC=C1 MC430197 [0,1,0,0,1,0|1,0,1]=4 206 B12R1.1009 CC1=CC=CC(C)=C1CC(=O)O MC431246 [0,1,0,0,1,0|1,0,1]=4 207 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1Cl MC20219 [0,1,0,0,1,0|1,0,1]=4 208 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1F MC40154 [0,1,0,0,1,0|1,0,1]=4 209 B12R1.1009 O=C(O)CC1=C(F)C=CC=C1F MC40162 [0,1,0,0,1,0|1,0,1]=4 210 B14R1.160 Nc1ccccc1C(=O)NCC(=O)O MC436011 [0,1,0,0,0,1|1,0,1]=4 211 B14R1.161 NC(CCC1=C(O)C=CC=C1)C(=O)O MC443558 [0,1,0,0,0,1|0,0,2]=4 212 B14R1.337 CC1=C(CC(=O)CC(=O)O)C=CC=C1 MC105953 [0,1,0,0,0,1|1,0,1]=4 213 B14R1.337 O=C(O)CC(=O)CC1=C(Cl)C=CC=C1 MC105947 [0,1,0,0,0,1|1,0,1]=4 214 B14R1.337 O=C(O)CC(=O)CC1=C(F)C=CC=C1 MC105950 [0,1,0,0,0,1|1,0,1]=4 215 B14R1.863 COC(=O)CCC1=C(OC)C=CC=C1 MC106255 [0,2,0,0,0,0|0,0,2]=4 216 B14R1.3135 COC1=C(CC(N)C(=O)O)C=CC=C1 CS13888 [0,2,0,0,0,0|0,0,2]=4 217 B14R1.4522 O=C(O)CCC1=C(C(=O)O)C=CC=C1 MC445728 [0,2,0,0,0,0|0,0,2]=4 218 B14R1.4522 O=C(O)COC1=C(C(=O)O)C=CC=C1 CS20893 [0,2,0,0,0,0|1,0,1]=4 219 B14R1.3150 CC1=C(\C=C\C(=O)O)C=C(Cl)C=C1Cl MC109908 [0,2,0,0,0,0|1,0,0]=3 220 B14R1.3150 CC1=C(\C=C\C(=O)O)C=C(F)C=C1F MC110284 [0,2,0,0,0,0|1,0,0]=3 221 B14R1.3150 CC1=CC(Cl)=CC(\C=C\C(=O)O)=C1Cl MC109902 [0,2,0,0,0,0|1,0,0]=3 222 B14R1.3150 CC1=CC(\C=C\C(=O)O)=C(Cl)C(Cl)=C1 MC109897 [0,2,0,0,0,0|1,0,0]=3 223 B14R1.3150 O=C(O)\C=C\C1=C(Br)C(Br)=CC(F)=C1 MC108964 [0,2,0,0,0,0|1,0,0]=3 224 B14R1.3150 O=C(O)\C=C\C1=C(Br)C(F)=CC(Br)=C1 MC108968 [0,2,0,0,0,0|1,0,0]=3 225 B14R1.3150 O=C(O)\C=C\C1=C(Cl)C(Cl)=CC(F)=C1 MC109691 [0,2,0,0,0,0|1,0,0]=3 226 B14R1.3150 O=C(O)\C=C\C1=C(Cl)C(F)=CC(Cl)=C1 MC109694 [0,2,0,0,0,0|1,0,0]=3 227 B14R1.3150 O=C(O)\C=C\C1=C(F)C(Cl)=CC(Cl)=C1 MC109700 [0,2,0,0,0,0|1,0,0]=3 228 B14R1.6054 CC1=C(\C=C\C(=O)O)C(Cl)=CC=C1Cl MC109910 [0,2,0,0,0,0|1,0,0]=3 229 B14R1.6054 CC1=CC=C(Cl)C(Cl)=C1\C=C\C(=O)O MC109898 [0,2,0,0,0,0|1,0,0]=3 230 B14R1.6054 CC1=CC=C(Cl)C(\C=C\C(=O)O)=C1Cl MC109904 [0,2,0,0,0,0|1,0,0]=3 231 B14R1.6054 O=C(O)\C=C\C1=C(Br)C(Br)=CC=C1F MC108965 [0,2,0,0,0,0|1,0,0]=3 232 B14R1.6054 O=C(O)\C=C\C1=C(Br)C(F)=CC=C1Br MC108970 [0,2,0,0,0,0|1,0,0]=3 233 B14R1.6054 O=C(O)\C=C\C1=C(Cl)C(F)=CC=C1Cl MC109696 [0,2,0,0,0,0|1,0,0]=3 234 B14R1.6054 O=C(O)\C=C\C1=C(F)C(Br)=CC=C1Br MC108975 [0,2,0,0,0,0|1,0,0]=3 235 B14R1.6054 O=C(O)\C=C\C1=C(F)C(Cl)=CC=C1Cl MC109702 [0,2,0,0,0,0|1,0,0]=3 236 B14R1.6059 CC1=C(Cl)C(Cl)=C(\C=C\C(=O)O)C=C1 MC109896 [0,2,0,0,0,0|1,0,0]=3 237 B14R1.6059 CC1=C(Cl)C=CC(\C=C\C(=O)O)=C1Cl MC109899 [0,2,0,0,0,0|1,0,0]=3 238 B14R1.6059 CC1=C(\C=C\C(=O)O)C=CC(Cl)=C1Cl MC109906 [0,2,0,0,0,0|1,0,0]=3 239 B14R1.6059 O=C(O)\C=C\C1=C(Br)C(Br)=C(F)C=C1 MC108963 [0,2,0,0,0,0|1,0,0]=3 240 B14R1.6059 O=C(O)\C=C\C1=C(Br)C(F)=C(Br)C=C1 MC108966 [0,2,0,0,0,0|1,0,0]=3 241 B14R1.6059 O=C(O)\C=C\C1=C(Cl)C(F)=C(Cl)C=C1 MC109692 [0,2,0,0,0,0|1,0,0]=3 242 B14R1.6059 O=C(O)\C=C\C1=C(F)C(Br)=C(Br)C=C1 MC108972 [0,2,0,0,0,0|1,0,0]=3 243 B14R1.6059 O=C(O)\C=C\C1=C(F)C(Cl)=C(Cl)C=C1 MC109698 [0,2,0,0,0,0|1,0,0]=3 244 B14R1.103 COC1=CC(Cl)=C(\C=C\C(=O)O)C=C1 MC40210 [0,2,0,0,0,0|1,0,0]=3 245 B14R1.727 COC(=O)\C=C\C1=C(Br)C=C(F)C=C1 MC103308 [0,2,0,0,0,0|1,0,0]=3 246 B14R1.3152 CC1=CC(Cl)=C(\C=C\C(=O)O)C(Cl)=C1 MC109905 [0,2,0,0,0,0|1,0,0]=3 247 B14R1.3152 CC1=CC(Cl)=CC(Cl)=C1\C=C\C(=O)O MC109901 [0,2,0,0,0,0|1,0,0]=3 248 B14R1.3152 CC1=CC(F)=C(\C=C\C(=O)O)C(F)=C1 MC110283 [0,2,0,0,0,0|1,0,0]=3 249 B14R1.3152 CC1=CC(F)=CC(F)=C1\C=C\C(=O)O MC110282 [0,2,0,0,0,0|1,0,0]=3 250 B14R1.3152 O=C(O)\C=C\C1=C(Br)C=C(F)C=C1Br MC108971 [0,2,0,0,0,0|1,0,0]=3 251 B14R1.3152 O=C(O)\C=C\C1=C(Cl)C=C(Cl)C=C1F MC109693 [0,2,0,0,0,0|1,0,0]=3 252 B14R1.3152 O=C(O)\C=C\C1=C(Cl)C=C(F)C=C1Cl MC109697 [0,2,0,0,0,0|1,0,0]=3 253 B14R1.6036 CC1=C(\C=C\C(=O)O)C=C(Cl)C(Cl)=C1 MC109911 [0,2,0,0,0,0|1,0,0]=3 254 B14R1.6036 CC1=CC(Cl)=C(\C=C\C(=O)O)C=C1Cl MC109903 [0,2,0,0,0,0|1,0,0]=3 255 B14R1.6036 CC1=CC(\C=C\C(=O)O)=C(Cl)C=C1Cl MC109900 [0,2,0,0,0,0|1,0,0]=3 256 B14R1.6036 O=C(O)\C=C\C1=C(Br)C=C(Br)C(F)=C1 MC108967 [0,2,0,0,0,0|1,0,0]=3 257 B14R1.6036 O=C(O)\C=C\C1=C(Br)C=C(F)C(Br)=C1 MC108969 [0,2,0,0,0,0|1,0,0]=3 258 B14R1.6036 O=C(O)\C=C\C1=C(Cl)C=C(F)C(Cl)=C1 MC109695 [0,2,0,0,0,0|1,0,0]=3 259 B14R1.6036 O=C(O)\C=C\C1=C(F)C=C(Br)C(Br)=C1 MC108976 [0,2,0,0,0,0|1,0,0]=3 260 B14R1.6036 O=C(O)\C=C\C1=C(F)C=C(Cl)C(Cl)=C1 MC109703 [0,2,0,0,0,0|1,0,0]=3 261 B14R1.6036 O=C(O)\C=C\C1=C(F)C=C(F)C(F)=C1 MC429492 [0,2,0,0,0,0|1,0,0]=3 262 B14R1.587 COC(=O)CC(=O)C1=C(Cl)C=CC=C1 MC433969 [0,2,0,0,0,0|1,0,1]=4 263 B14R1.598 CCOC(=O)COC1=C(O)C=CC=C1 MC443167 [0,2,0,0,0,0|1,0,1]=4 264 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 CS20951 [0,0,1,1,0,0|1,0,1]=4 265 B12R1.56 N#CC1=C(O)C=CC(C(=O)O)=C1 MC441018 [0,0,1,1,0,0|1,0,1]=4 266 B12R1.56 O=CC1=C(F)C=CC(C(=O)O)=C1 CS22830 [0,0,1,1,0,0|2,0,0]=4 267 B12R1.258 CC(=O)C1=CC=CC(C(=O)O)=C1 MC40222 [0,0,1,1,0,0|0,0,2]=4 268 B12R1.258 O=C(O)C1=CC(B(O)O)=CC=C1 CS10455 [0,0,1,1,0,0|2,0,0]=4 269 B12R1.258 O=C(O)C1=CC=CC(C(=O)O)=C1 MC40319 [0,0,1,1,0,0|1,0,0]=3 270 B12R1.258 O=C(O)C1=CC=CC(C(=O)O)=N1 CS20150 [0,0,1,1,0,0|2,0,0]=4 271 B12R1.258 O=C(O)C1=CN=CC(C(=O)O)=C1 CS20151 [0,0,1,1,0,0|2,0,0]=4 272 B12R1.453 O=CC1=CC(C(=O)O)=C(F)C=C1 MC40281 [0,0,1,1,0,0|1,0,1]=4 273 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 CS19153 [1,0,0,1,0,0|2,0,0]=4 274 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 CS21392 [1,0,0,1,0,0|2,0,0]=4 275 B12R2.24 CC1=NC2=CC=CC=C2C=C1 CS11335 [1,0,0,1,0,0|2,0,0]=4 276 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 CS21419 [1,0,0,1,0,0|2,0,0]=4 277 B12R2.24 NC1=CC2=CC=CC=C2C=C1 MC41753 [1,0,0,1,0,0|2,0,0]=4 278 B12R2.24 NC1=NC2=CC=CC=C2C=C1 CS11009 [1,0,0,1,0,0|2,0,0]=4 279 B12R2.24 O=C1C=CC2=CN=CC=C2N1 MC442445 [1,0,0,1,0,0|2,0,0]=4 280 B12R2.24 O=C1CCc2ccccc2O1 MC41795 [1,0,0,1,0,0|0,0,2]=4 281 B12R2.24 OC1=CC2=CC=CC=C2C=C1 CS21708 [1,0,0,1,0,0|1,0,0]=3 282 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CS19154 [1,0,0,1,0,0|2,0,0]=4 283 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CS10982 [1,0,0,1,0,0|2,0,0]=4 284 B12R2.24 OC1=CC=C2C=CN=CC2=C1 MC441084 [1,0,0,1,0,0|2,0,0]=4 285 B12R2.24 OC1=CC=C2C=NC=CC2=C1 CS18471 [1,0,0,1,0,0|2,0,0]=4 286 B12R2.24 OC1=NC2=CC=CC=C2N=C1 CS21605 [1,0,0,1,0,0|2,0,0]=4 287 B12R2.24 OC1=NC2=CC=CN=C2C=C1 MC442462 [1,0,0,1,0,0|2,0,0]=4 288 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 CS21513 [1,0,0,1,0,0|1,0,1]=4 289 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 MC111185 [1,0,0,1,0,0|1,0,1]=4 290 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 CS10964 [1,0,0,1,0,0|0,1,0]=3 291 B12R2.32 O=CC1=CC2=CC=CC=C2N1 CS18099 [1,0,0,1,0,0|1,0,0]=3 292 B12R2.32 O=CC1=CC2=CC=NC=C2N1 MC116282 [1,0,0,1,0,0|2,0,0]=4 293 B12R2.32 O=CC1=CC2=CC=NC=C2S1 MC441877 [1,0,0,1,0,0|1,1,0]=4 294 B12R2.32 O=CC1=CC2=NC=CC=C2O1 MC103691 [1,0,0,1,0,0|1,0,0]=3 295 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 MC33243 [1,0,0,1,0,0|2,0,0]=4 296 B12R2.32 OCC1=CC2=CC=CC=C2N1 CS20715 [1,0,0,1,0,0|1,0,1]=4 297 B12R2.196 CN1C=CC2=C1C=CC=C2O CS13327 [1,0,0,1,0,0|2,0,0]=4 298 B12R2.196 O=C1CCC2=C(O)C=CC=C12 CS19922 [1,0,0,1,0,0|0,0,2]=4 299 B12R2.196 O=C1NCC2=C(O)C=CC=C12 CS14659 [1,0,0,1,0,0|1,0,1]=4 300 B12R2.1081 BrC1=C2C=CC=NC2=CC=C1 CS21397 [1,0,0,1,0,0|2,0,0]=4 301 B12R2.1081 BrC1=CC=CC2=CC=CC=C12 CS19505 [1,0,0,1,0,0|2,0,0]=4 302 B12R2.1081 CC1=C2C=CC=NC2=CC=C1 MC33383 [1,0,0,1,0,0|2,0,0]=4 303 B12R2.1081 ClC1=C2C=CC=NC2=CC=C1 CS21421 [1,0,0,1,0,0|2,0,0]=4 304 B12R2.1081 FC1=CC=CC2=C1CC=CO2 MC41786 [1,0,0,1,0,0|1,0,1]=4 305 B12R2.1081 FC1=CC=CC2=CC=CC=C12 MC20582 [1,0,0,1,0,0|2,0,0]=4 306 B12R2.1081 Ic1cccc2ccccc12 MC434036 [1,0,0,1,0,0|2,0,0]=4 307 B12R2.1081 NC1=CC=CC2=C1C=CC=N2 CS11015 [1,0,0,1,0,0|2,0,0]=4 308 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CS20774 [1,0,0,1,0,0|2,0,0]=4 309 B12R2.1081 NC1=CC=CC2=CC=CC=C12 MC41752 [1,0,0,1,0,0|2,0,0]=4 310 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 MC30343 [1,0,0,1,0,0|2,0,0]=4 311 B12R2.1081 OC1=CC=CC2=C1C=CC=N2 CS10980 [1,0,0,1,0,0|1,0,0]=3 312 B12R2.1081 OC1=CC=CC2=C1C=CN=C2 CS10979 [1,0,0,1,0,0|2,0,0]=4 313 B12R2.1081 OC1=CC=CC2=CC=CC=C12 CS18546 [1,0,0,1,0,0|1,0,0]=3 314 B12R2.1081 OC1=CC=NC2=CC=CC=C12 CS21522 [1,0,0,1,0,0|2,0,0]=4 315 B12R2.1081 OC1=NC=CC2=CC=CC=C21 CS10978 [1,0,0,1,0,0|2,0,0]=4 316 B12R2.252 O=C(O)C1=CC2=C(SC=C2)S1 MC442193 [0,0,0,1,1,0|1,1,0]=4 317 B12R2.252 O=C(O)C1=CC2=CSC=C2S1 MC442194 [0,0,0,1,1,0|1,1,0]=4 318 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)O1 CS21317 [0,0,0,1,0,1|0,0,0]=2 319 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 MC10334 [0,0,0,1,0,1|1,0,0]=3 320 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 MC41741 [0,0,0,1,0,1|2,0,0]=4 321 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 CS16292 [0,0,0,1,0,1|1,0,0]=3 322 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 CS11274 [0,0,0,1,0,1|1,0,0]=3 323 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 CS11279 [0,0,0,1,0,1|1,0,0]=3 324 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 CS10060 [0,0,0,1,0,1|1,0,0]=3 325 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=C1 CS10714 [0,0,0,1,0,1|2,0,0]=4 326 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 CS11276 [0,0,0,1,0,1|1,0,0]=3 327 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 CS21462 [0,0,0,1,0,1|1,0,0]=3 328 B14R2.781 O=C(O)C1=NC2=CC=NC=C2C=C1 CS21460 [0,0,0,1,0,1|2,0,0]=4 329 B14R2.781 O=C(O)C1=NC2=CN=CC=C2C=C1 MC442821 [0,0,0,1,0,1|2,0,0]=4 330 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS14213 [0,0,0,1,0,1|0,0,2]=4 331 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS15696 [0,0,0,1,0,1|0,0,2]=4 332 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS15697 [0,0,0,1,0,1|0,0,2]=4 333 B14R2.8032 CC1=C2NC=C(C(=O)O)C2=CC=C1 CS10826 [0,0,0,1,0,1|1,0,0]=3 334 B14R2.8032 O=C(O)C1=C2C=CC=C(Br)N2N=C1 MC103547 [0,0,0,1,0,1|2,0,0]=4 335 B14R2.8032 O=C(O)C1=CNC2=C(Br)C=CC=C12 MC106558 [0,0,0,1,0,1|1,0,0]=3 336 B14R2.8032 O=C(O)C1=NNC2=C(Br)C=CC=C12 CS17662 [0,0,0,1,0,1|2,0,0]=4 337 B14R2.8032 O=C(O)C1=NNC2=C(F)C=CC=C12 CS13258 [0,0,0,1,0,1|2,0,0]=4 338 B14R2.8032 O=C(O)C1CCC2=C(O)C=CC=C21 MC110581 [0,0,0,1,0,1|0,0,2]=4 339 B14R2.2 O=C(O)CC1=CNC2=CC=CC=C12 CS11357 [0,1,0,1,0,0|1,0,1]=4 340 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 CS11310 [0,1,0,1,0,0|0,0,1]=3 341 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 MC41799 [0,1,0,1,0,0|0,0,0]=2 342 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 CS11350 [0,1,0,1,0,0|1,0,0]=3 343 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 MC433155 [0,1,0,1,0,0|0,1,0]=3 344 B14R2.1073 N#CC1=CC=CC2=C1C=CC(O)=N2 MC107638 [0,1,0,1,0,0|2,0,0]=4 345 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)S2 MC441057 [0,1,0,1,0,0|0,1,0]=3 346 B14R2.7969 CC1=CC=CC2=C1N=C(C(=O)O)N2 CS12511 [0,1,0,1,0,0|2,0,0]=4 347 B14R2.7969 CC1=CC=CC2=C1OC(C(=O)O)=C2 MC441311 [0,1,0,1,0,0|0,0,0]=2 348 B14R2.7969 CC1=CC=CC2=C1SC(C(=O)O)=C2 MC441142 [0,1,0,1,0,0|0,1,0]=3 349 B14R2.7969 NC1=CC=CC2=C1OC(C(=O)O)=C2 MC431602 [0,1,0,1,0,0|0,0,0]=2 350 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2S1 MC441176 [0,1,0,1,0,0|1,1,0]=4 351 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)O1 MC441316 [0,1,0,1,0,0|0,0,0]=2 352 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)S1 MC441143 [0,1,0,1,0,0|0,1,0]=3 353 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)O1 MC441315 [0,1,0,1,0,0|0,0,0]=2 354 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)S1 MC41767 [0,1,0,1,0,0|0,1,0]=3 355 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)O1 MC441317 [0,1,0,1,0,0|0,0,0]=2 356 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)S1 MC441145 [0,1,0,1,0,0|0,1,0]=3 357 B14R2.7969 O=C(O)C1=CC2=C(C=CN=C2Br)N1 MC105989 [0,1,0,1,0,0|2,0,0]=4 358 B14R2.7969 O=C(O)C1=CC2=C(C=CN=C2Cl)S1 MC441333 [0,1,0,1,0,0|1,1,0]=4 359 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2N1 MC444341 [0,1,0,1,0,0|2,0,0]=4 360 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=NC=C2S1 MC441177 [0,1,0,1,0,0|1,1,0]=4 361 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 CS14286 [0,1,0,1,0,0|1,0,0]=3 362 B14R2.7969 O=C(O)C1=CC2=C(N=NC=C2O)N1 MC116436 [0,1,0,1,0,0|2,0,0]=4 363 B14R2.7969 O=C(O)C1=CC2=C(O1)C(Br)=CC=C2 MC441300 [0,1,0,1,0,0|0,0,0]=2 364 B14R2.7969 O=C(O)C1=CC2=C(O1)C(F)=CC=C2 MC441298 [0,1,0,1,0,0|0,0,0]=2 365 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Br)=CC=C2 CS16632 [0,1,0,1,0,0|0,1,0]=3 366 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=CC=C2 CS10798 [0,1,0,1,0,0|0,1,0]=3 367 B14R2.7969 O=C(O)C1=CC2=C(S1)C(F)=CC=C2 MC441144 [0,1,0,1,0,0|0,1,0]=3 368 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 MC30342 [0,1,0,1,0,0|1,0,0]=3 369 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 CS12600 [0,1,0,1,0,0|1,0,0]=3 370 B14R2.7969 O=C(O)C1=CC2=CC=CC(O)=C2N1 MC106623 [0,1,0,1,0,0|1,0,0]=3 371 B14R2.7969 O=C(O)C1=CC2=CC=NC(Cl)=C2S1 MC441328 [0,1,0,1,0,0|1,1,0]=4 372 B14R2.7969 O=C(O)C1=CN2C=CC=C(Br)C2=N1 CS14593 [0,1,0,1,0,0|2,0,0]=4 373 B14R2.7969 O=C(O)C1=NC2=C(C=CC=C2Br)S1 MC104506 [0,1,0,1,0,0|1,1,0]=4 374 B14R2.7969 O=C(O)C1=NC2=C(S1)C(Br)=CC=C2 MC104508 [0,1,0,1,0,0|1,1,0]=4 375 B14R2.7969 O=C(O)C1=NN2C(Br)=CC=CC2=C1 MC104585 [0,1,0,1,0,0|2,0,0]=4 376 B14R2.7969 O=C(O)C1=NN2C=CC=C(Br)C2=C1 MC104587 [0,1,0,1,0,0|2,0,0]=4 377 B14R2.7969 OB(O)C1=CC2=C(C=CC=C2F)O1 MC443478 [0,1,0,1,0,0|1,0,1]=4 378 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)O2 MC441314 [0,1,0,1,0,0|0,0,0]=2 379 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)S2 MC41800 [0,1,0,1,0,0|0,1,0]=3 380 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 MC441312 [0,1,0,1,0,0|0,0,0]=2 381 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 CS10730 [0,1,0,1,0,0|1,0,0]=3 382 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=N1 MC104472 [0,1,0,1,0,0|2,0,0]=4 383 B14R2.4529 CC1=CC=C2C=C(C(=O)O)SC2=N1 MC441321 [0,1,0,1,0,0|1,1,0]=4 384 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 CS10456 [0,1,0,1,0,0|1,0,0]=3 385 B14R2.4529 CC1=CC=C2NC(C(N)=O)=CC2=C1 MC107564 [0,1,0,1,0,0|2,0,0]=4 386 B14R2.4529 NC1=CN=C2NC(C(=O)O)=CC2=C1 MC104471 [0,1,0,1,0,0|2,0,0]=4 387 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 MC114702 [0,1,0,1,0,0|0,0,0]=2 388 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)S1 MC441038 [0,1,0,1,0,0|0,1,0]=3 389 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)O1 MC441313 [0,1,0,1,0,0|0,0,0]=2 390 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)S1 MC443455 [0,1,0,1,0,0|0,1,0]=3 391 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)N=C2)N1 CS12323 [0,1,0,1,0,0|2,0,0]=4 392 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 MC114912 [0,1,0,1,0,0|0,0,0]=2 393 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)O1 MC441164 [0,1,0,1,0,0|0,0,0]=2 394 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)S1 MC41760 [0,1,0,1,0,0|0,1,0]=3 395 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 MC441171 [0,1,0,1,0,0|0,0,0]=2 396 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)S1 MC441141 [0,1,0,1,0,0|0,1,0]=3 397 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)O1 MC441172 [0,1,0,1,0,0|0,0,0]=2 398 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)S1 MC41787 [0,1,0,1,0,0|0,1,0]=3 399 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 MC444391 [0,1,0,1,0,0|2,0,0]=4 400 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2S1 MC441323 [0,1,0,1,0,0|1,1,0]=4 401 B14R2.4529 O=C(O)C1=CC2=CC(Br)=NC=C2N1 CS15209 [0,1,0,1,0,0|2,0,0]=4 402 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 CS22050 [0,1,0,1,0,0|1,0,0]=3 403 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 MC20054 [0,1,0,1,0,0|1,0,0]=3 404 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 MC103942 [0,1,0,1,0,0|2,0,0]=4 405 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2N1 CS22090 [0,1,0,1,0,0|1,0,0]=3 406 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)N=C2N1 MC444420 [0,1,0,1,0,0|2,0,0]=4 407 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2N1 MC20052 [0,1,0,1,0,0|1,0,0]=3 408 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)N=C2N1 MC121106 [0,1,0,1,0,0|2,0,0]=4 409 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2N1 MC20055 [0,1,0,1,0,0|1,0,0]=3 410 B14R2.4529 O=C(O)C1=CC2=NC(Br)=CC=C2N1 MC104549 [0,1,0,1,0,0|2,0,0]=4 411 B14R2.4529 O=C(O)C1=CC2=NC=C(Br)C=C2N1 MC102085 [0,1,0,1,0,0|2,0,0]=4 412 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 MC102042 [0,1,0,1,0,0|2,0,0]=4 413 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=N1 CS10665 [0,1,0,1,0,0|2,0,0]=4 414 B14R2.4529 O=C(O)C1=CN2C=C(Cl)C=CC2=N1 MC425403 [0,1,0,1,0,0|2,0,0]=4 415 B14R2.4529 O=C(O)C1=NC2=C(C=C(Br)C=C2)S1 MC104507 [0,1,0,1,0,0|1,1,0]=4 416 B14R2.4529 O=C(O)C1=NC2=C(C=C(Cl)C=C2)S1 CS15439 [0,1,0,1,0,0|1,1,0]=4 417 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)N1 MC41759 [0,1,0,1,0,0|2,0,0]=4 418 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)S1 MC104505 [0,1,0,1,0,0|1,1,0]=4 419 B14R2.4529 O=C(O)C1=NN2C=C(Br)C=CC2=C1 MC101946 [0,1,0,1,0,0|2,0,0]=4 420 B14R2.4529 O=C(O)C1=NN2C=C(Cl)C=CC2=C1 MC20746 [0,1,0,1,0,0|2,0,0]=4 421 B14R2.4529 O=C(O)C1=NN2C=CC(Br)=CC2=C1 MC102046 [0,1,0,1,0,0|2,0,0]=4 422 B14R2.4529 OB(O)C1=CC2=C(C=C(Br)C=C2)O1 MC443341 [0,1,0,1,0,0|1,0,1]=4 423 B14R2.4529 OB(O)C1=CC2=C(C=CC(Br)=C2)O1 CS16495 [0,1,0,1,0,0|1,0,1]=4 424 B14R2.4529 OB(O)C1=CC2=C(C=CC(F)=C2)O1 MC106329 [0,1,0,1,0,0|1,0,1]=4 425 B14R2.29365 O=C1C=CC2=C(O)C=C(O)C=C2O1 CS10182 [0,1,0,1,0,0|0,0,0]=2 426 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)S1 MC429622 [0,1,0,1,0,0|0,1,0]=3 427 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 CS11361 [0,1,0,1,0,0|1,0,0]=3 428 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 CS13203 [0,1,0,1,0,0|2,0,0]=4 429 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)N1 MC107164 [0,1,0,1,0,0|2,0,0]=4 430 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)O1 MC106657 [0,1,0,1,0,0|1,0,0]=3 431 B14R2.1801 COC1=CC=C2C(Br)=CC=CC2=C1 MC10530 [0,1,0,1,0,0|2,0,0]=4 432 B14R2.1801 COC1=CC=C2C(O)=CC=NC2=C1 MC425081 [0,1,0,1,0,0|2,0,0]=4 433 B14R2.1801 N#CC1=NC2=CC=CC(O)=C2C=C1 MC101984 [0,1,0,1,0,0|2,0,0]=4 434 B10R1.18 BrC(Br)=CC1=CC=CC=C1 CS16193 [1,0,0,0,1,0|2,0,0]=4 435 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [1,0,0,0,1,0|2,0,0]=4 436 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [1,0,0,0,1,0|2,0,0]=4 437 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [1,0,0,0,1,0|2,0,0]=4 438 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [1,0,0,0,1,0|2,0,0]=4 439 B10R1.18 O=C(O)CC1=CC=CN=C1 CS20325 [1,0,0,0,1,0|1,0,1]=4 440 B10R1.18 O=C(O)CC1=CC=NC=C1 CS20327 [1,0,0,0,1,0|1,0,1]=4 441 B10R1.18 O=C(O)CC1=CC=NC=C1 MC41632 [1,0,0,0,1,0|1,0,1]=4 442 B10R1.18 O=C(O)CC1=NC=CC=C1 MC41631 [1,0,0,0,1,0|1,0,1]=4 443 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [1,0,0,0,1,0|0,0,2]=4 444 B10R1.66 O=C(O)\C=C\C1=CC=CO1 MC41690 [1,0,0,0,1,0|1,0,0]=3 445 B10R1.66 O=C(O)\C=C\C1=COC=C1 MC425866 [1,0,0,0,1,0|1,0,0]=3 446 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 CS18866 [0,0,0,0,2,0|2,0,0]=4 447 B10R1.61 CC(=O)C1=C(C)C=CC=C1 CS19710 [0,0,0,0,2,0|2,0,0]=4 448 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 MC41234 [0,0,0,0,2,0|2,0,0]=4 449 B10R1.61 CC(=O)C1=C(F)C=CC=C1 CS15490 [0,0,0,0,2,0|2,0,0]=4 450 B10R1.61 CC(=O)C1=C(N)C=CC=C1 CS19948 [0,0,0,0,2,0|2,0,0]=4 451 B10R1.61 CC(=O)C1=C(O)C=CC=C1 CS15026 [0,0,0,0,2,0|1,0,0]=3 452 B10R1.61 CC(=O)C1=C(O)C=NC=C1 MC427306 [0,0,0,0,2,0|2,0,0]=4 453 B10R1.61 CC(=O)C1=CC=CN=C1O MC427454 [0,0,0,0,2,0|2,0,0]=4 454 B10R1.61 CC(=O)C1=NC=CC=C1O CS14450 [0,0,0,0,2,0|2,0,0]=4 455 B10R1.61 CC1=C(C(=O)O)C=CC=C1 CS19823 [0,0,0,0,2,0|1,0,0]=3 456 B10R1.61 CC1=C(C(=O)O)C=CC=N1 CS18975 [0,0,0,0,2,0|2,0,0]=4 457 B10R1.61 CC1=C(C(=O)O)C=CN=C1 CS22360 [0,0,0,0,2,0|2,0,0]=4 458 B10R1.61 CC1=CC=CN=C1C(=O)O CS19680 [0,0,0,0,2,0|2,0,0]=4 459 B10R1.61 CC1=CC=NC=C1C(=O)O CS22976 [0,0,0,0,2,0|2,0,0]=4 460 B10R1.61 CC1=CC=NC=C1C(=O)O CS22977 [0,0,0,0,2,0|2,0,0]=4 461 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 CS20174 [0,0,0,0,2,0|2,0,0]=4 462 B10R1.61 NC(=O)C1=C(F)C=CC=C1 MC41021 [0,0,0,0,2,0|2,0,0]=4 463 B10R1.61 NC(=O)C1=C(I)C=CC=C1 MC433808 [0,0,0,0,2,0|2,0,0]=4 464 B10R1.61 NC(=O)C1=C(O)C=CC=C1 CS11941 [0,0,0,0,2,0|1,0,0]=3 465 B10R1.61 NC1=C(C(=O)O)C=CC=N1 CS21827 [0,0,0,0,2,0|2,0,0]=4 466 B10R1.61 NC1=C(C(=O)O)C=CN=C1 CS17968 [0,0,0,0,2,0|2,0,0]=4 467 B10R1.61 NC1=C(C(=O)O)C=CN=C1 CS21908 [0,0,0,0,2,0|2,0,0]=4 468 B10R1.61 NC1=CC=CN=C1C(=O)O CS17409 [0,0,0,0,2,0|2,0,0]=4 469 B10R1.61 NC1=CC=CN=C1C(=O)O CS19360 [0,0,0,0,2,0|2,0,0]=4 470 B10R1.61 NC1=CC=NC=C1C(=O)O CS21982 [0,0,0,0,2,0|2,0,0]=4 471 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 MC40438 [0,0,0,0,2,0|2,0,0]=4 472 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 MC40472 [0,0,0,0,2,0|2,0,0]=4 473 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 CS19188 [0,0,0,0,2,0|2,0,0]=4 474 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 CS16216 [0,0,0,0,2,0|1,0,0]=3 475 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 CS22916 [0,0,0,0,2,0|2,0,0]=4 476 B10R1.61 O=C(O)C1=C(Br)N=CC=C1 CS22912 [0,0,0,0,2,0|2,0,0]=4 477 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 CS16220 [0,0,0,0,2,0|2,0,0]=4 478 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 CS18848 [0,0,0,0,2,0|2,0,0]=4 479 B10R1.61 O=C(O)C1=C(F)C=CC=C1 CS10366 [0,0,0,0,2,0|1,0,0]=3 480 B10R1.61 O=C(O)C1=C(F)C=NC=C1 CS19033 [0,0,0,0,2,0|2,0,0]=4 481 B10R1.61 O=C(O)C1=C(F)N=CC=C1 CS18890 [0,0,0,0,2,0|2,0,0]=4 482 B10R1.61 O=C(O)C1=C(I)C=CC=C1 CS20137 [0,0,0,0,2,0|1,0,0]=3 483 B10R1.61 O=C(O)C1=C(I)N=CC=C1 MC443233 [0,0,0,0,2,0|2,0,0]=4 484 B10R1.61 O=C(O)C1=C(O)C=CC=C1 MC40289 [0,0,0,0,2,0|0,0,0]=2 485 B10R1.61 O=C(O)C1=C(O)C=NC=C1 CS22995 [0,0,0,0,2,0|1,0,0]=3 486 B10R1.61 O=C(O)C1=C(S)C=CC=C1 MC40297 [0,0,0,0,2,0|0,1,0]=3 487 B10R1.61 O=C(O)C1=CC=CNC1=O CS19183 [0,0,0,0,2,0|1,0,1]=4 488 B10R1.61 O=C(O)C1=CN=CC=C1Br MC10387 [0,0,0,0,2,0|2,0,0]=4 489 B10R1.61 O=C(O)C1=CN=CC=C1Cl CS18850 [0,0,0,0,2,0|2,0,0]=4 490 B10R1.61 O=C(O)C1=CN=CC=C1I MC442349 [0,0,0,0,2,0|2,0,0]=4 491 B10R1.61 O=C(O)C1=CN=CC=C1O CS15271 [0,0,0,0,2,0|1,0,0]=3 492 B10R1.61 O=C(O)C1=CN=CN=C1O CS12936 [0,0,0,0,2,0|2,0,0]=4 493 B10R1.61 O=C(O)C1=NC=CC=C1Br CS22914 [0,0,0,0,2,0|2,0,0]=4 494 B10R1.61 O=C(O)C1=NC=CC=C1Cl CS15072 [0,0,0,0,2,0|2,0,0]=4 495 B10R1.61 O=C(O)C1=NC=CC=C1F CS18754 [0,0,0,0,2,0|2,0,0]=4 496 B10R1.61 O=C(O)C1=NC=CC=C1I CS12162 [0,0,0,0,2,0|2,0,0]=4 497 B10R1.61 O=C(O)C1=NC=CC=C1O CS22996 [0,0,0,0,2,0|1,0,0]=3 498 B10R1.61 O=C(O)C1=NC=CN=C1O CS17542 [0,0,0,0,2,0|2,0,0]=4 499 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 MC40335 [0,0,0,0,2,0|1,0,1]=4 500 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 MC40349 [0,0,0,0,2,0|1,0,1]=4 501 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 CS21724 [0,0,0,0,2,0|1,0,1]=4 502 B10R1.61 OB(O)C1=C(O)C=CC=C1 CS21880 [0,0,0,0,2,0|1,0,1]=4