0 B6R0.2 CC(=O)\C=C(/C)N MC105899 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.2 CC(Br)CC(=O)O MC106689 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.2 CC(C)=CC(=O)O CS14947 [0,0,0,0,0,0|0,0,0]=0 3 B6R0.2 CC(C)CB(O)O CS22276 [0,0,0,0,0,0|1,0,3]=4 4 B6R0.2 CC(N)CC(=O)O CS19028 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.2 CC(N)CC(=O)O CS20346 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.2 CC(N)CC(=O)O MC439098 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.2 CC(O)CC(=O)O MC426020 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.2 CC(O)CC(=O)O MC426021 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.2 CC(O)CC(=O)[O-] CS20253 [0,0,0,0,0,0|1,0,3]=4 10 B6R0.2 CN(C)CC(=O)O CS13413 [0,0,0,0,0,0|1,0,1]=2 11 B6R0.2 CN(C)CC(N)=S CS15155 [0,0,0,0,0,0|2,1,1]=4 12 B6R0.2 NC(=O)CC(N)=O CS11565 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.2 NC(=O)NC(N)=O CS11485 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.2 NC([SeH])CC(=O)O MC435590 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.2 NC([SeH])CC(=O)O MC435591 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.2 O=C(O)CC(=O)O MC41922 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.2 O=C(O)CC(=O)O MC41938 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.1 CC#CC(=O)O MC20776 [1,0,0,0,0,0|0,0,2]=3 19 B5R0.1 CC(=O)\C=N\O CS11520 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 CC(=O)\C=N\O CS18968 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CC(C)=CCBr MC41900 [1,0,0,0,0,0|1,0,1]=3 22 B5R0.1 CC(C)CC=O CS11530 [1,0,0,0,0,0|0,0,2]=3 23 B5R0.1 CCCC(C)=O CS21731 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.1 CN(C)CC=O CS17734 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.1 CN(C)CCO CS11733 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.1 CNCC(=O)O CS18595 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.1 CNCC(N)=O MC438151 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 COCC(=O)Cl MC40491 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 COCC(=O)O CS11579 [1,0,0,0,0,0|1,0,1]=3 30 B5R0.1 COCC(N)=O MC41924 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 CSCC(=O)Cl MC106201 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 CSCC(N)=O CS12608 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 C\C=C\B(O)O MC116392 [1,0,0,0,0,0|1,0,1]=3 34 B5R0.1 C\C=C\C(=O)O MC41882 [1,0,0,0,0,0|0,0,0]=1 35 B5R0.1 N#CCC(=O)O MC41881 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.1 NCCC(=O)O CS13499 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.1 O=C(O)CCO MC20638 [1,0,0,0,0,0|1,0,2]=4 38 B7R0.2 CC(=O)\C=C(\C)O[Rh] MC445002 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.2 CC(C)OC(=O)CO CS11522 [0,1,0,0,0,0|1,0,1]=3 40 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,1,0,0,0,0|3,0,0]=4 42 B7R0.2 COC(=O)CC(=O)O CS13436 [0,1,0,0,0,0|1,0,1]=3 43 B7R0.2 COC(=O)CC(=O)[O-] MC41937 [0,1,0,0,0,0|1,0,2]=4 44 B7R0.2 COC(=O)CC(C)=O MC41927 [0,1,0,0,0,0|1,0,1]=3 45 B7R0.2 COC(=O)CC(C)O CS11584 [0,1,0,0,0,0|1,0,2]=4 46 B7R0.2 COC(=O)\C=C(/C)N CS13690 [0,1,0,0,0,0|1,0,0]=2 47 B7R0.2 C\C(C=O)=C/N(C)C CS22267 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.2 NCC(O)CC(=O)O CS16710 [0,1,0,0,0,0|1,0,2]=4 49 B7R0.9 CC(C)(C)CC(=O)O CS22814 [0,1,0,0,0,0|0,0,2]=3 50 B7R0.9 CC(C)(C)OC(N)=O CS11993 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.9 CC(C)(N)CC(=O)O CS14805 [0,1,0,0,0,0|0,0,2]=3 52 B7R0.9 CC(C)(N)CC(=O)O CS17039 [0,1,0,0,0,0|0,0,2]=3 53 B7R0.9 C[N+](C)(C)CC(=O)O MC34237 [0,1,0,0,0,0|1,0,1]=3 54 B7R0.9 C[N+](C)(C)CC(=O)[O-] MC34236 [0,1,0,0,0,0|1,0,2]=4 55 B7R0.16 CC(C)C(=O)C(=O)[O-] CS22357 [0,1,0,0,0,0|0,0,2]=3 56 B7R0.16 CC(C)C(Br)C(=O)O MC431184 [0,1,0,0,0,0|0,0,2]=3 57 B7R0.16 CC(C)C(Cl)C(=O)O MC426014 [0,1,0,0,0,0|0,0,2]=3 58 B7R0.16 CC(C)C(F)C(=O)O MC429818 [0,1,0,0,0,0|0,0,2]=3 59 B7R0.16 CC(C)C(N)C(=O)O CS19285 [0,1,0,0,0,0|0,0,2]=3 60 B7R0.16 CC(C)C(N)C(=O)O MC438291 [0,1,0,0,0,0|0,0,2]=3 61 B7R0.16 CC(C)C(N)C(=O)O MC438292 [0,1,0,0,0,0|0,0,2]=3 62 B7R0.16 CC(C)C(N)C(N)=O CS11445 [0,1,0,0,0,0|1,0,2]=4 63 B7R0.16 CC(C)C(N)C(N)=O MC428367 [0,1,0,0,0,0|1,0,2]=4 64 B7R0.16 CC(C)C(N)C(N)=O MC435294 [0,1,0,0,0,0|1,0,2]=4 65 B7R0.16 CC(C)C(O)C(=O)O MC437769 [0,1,0,0,0,0|0,0,2]=3 66 B7R0.16 CC(C)C(O)C(=O)O MC437770 [0,1,0,0,0,0|0,0,2]=3 67 B7R0.16 CC(O)C(N)C(=O)O CS16722 [0,1,0,0,0,0|1,0,2]=4 68 B7R0.16 CC(O)C(N)C(=O)O CS22619 [0,1,0,0,0,0|1,0,2]=4 69 B7R0.16 CC(O)C(N)C(=O)O MC438198 [0,1,0,0,0,0|1,0,2]=4 70 B7R0.16 CC(O)C(N)C(=O)O MC438199 [0,1,0,0,0,0|1,0,2]=4 71 B7R0.16 CC(O)C(N)C(=O)O MC438200 [0,1,0,0,0,0|1,0,2]=4 72 B7R0.16 CN(C)C(=O)C(=O)O CS11735 [0,1,0,0,0,0|1,0,0]=2 73 B7R0.16 O=C(O)C(=O)C(Br)Br CS18490 [0,1,0,0,0,0|2,0,1]=4 74 B7R1.2 CC1=CC(=O)CC1 CS22356 [0,0,0,1,0,0|1,0,0]=2 75 B7R1.2 CC1=CC(=O)CO1 MC429080 [0,0,0,1,0,0|2,0,0]=3 76 B7R1.2 CC1=CC(=O)NN1 CS22601 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.2 CC1=CC(Br)=CS1 CS22736 [0,0,0,1,0,0|3,0,0]=4 78 B7R1.2 CC1=CC(Br)=NN1 CS12832 [0,0,0,1,0,0|3,0,0]=4 79 B7R1.2 CC1=CC(Br)=NO1 MC113406 [0,0,0,1,0,0|3,0,0]=4 80 B7R1.2 CC1=CC(C)=NN1 CS19982 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.2 CC1=CC(C)=NO1 CS14107 [0,0,0,1,0,0|2,0,0]=3 82 B7R1.2 CC1=CC(I)=NN1 CS16887 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.2 CC1=COC(Br)=N1 MC113513 [0,0,0,1,0,0|2,0,1]=4 84 B7R1.2 CC1=CSC(N)=C1 MC113026 [0,0,0,1,0,0|1,1,1]=4 85 B7R1.2 CC1=CSC(N)=C1 MC121228 [0,0,0,1,0,0|1,1,1]=4 86 B7R1.2 CC1=NC(C)CO1 MC428186 [0,0,0,1,0,0|2,0,1]=4 87 B7R1.2 CC1=NNC(=O)C1 CS16242 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.2 CC1=NNC(=O)O1 CS10427 [0,0,0,1,0,0|3,0,0]=4 89 B7R1.2 CC1=NNC(=O)S1 MC107311 [0,0,0,1,0,0|3,0,0]=4 90 B7R1.2 CC1=NOC(N)=C1 CS16239 [0,0,0,1,0,0|2,0,0]=3 91 B7R1.2 CC1=NSC(=O)O1 MC42245 [0,0,0,1,0,0|2,1,0]=4 92 B7R1.2 CC1=NSC(Br)=C1 CS10288 [0,0,0,1,0,0|2,1,0]=4 93 B7R1.2 CC1=NSC(I)=C1 MC100265 [0,0,0,1,0,0|2,1,0]=4 94 B7R1.2 CC1=NSC(N)=C1 CS16387 [0,0,0,1,0,0|2,1,0]=4 95 B7R1.2 CC1COC(=O)N1 CS14300 [0,0,0,1,0,0|1,0,1]=3 96 B7R1.2 CC1COC(=O)O1 MC428298 [0,0,0,1,0,0|1,0,1]=3 97 B7R1.2 CN1CCC(=O)C1 CS20760 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.2 NC1=CC(=O)NN1 CS13152 [0,0,0,1,0,0|3,0,0]=4 99 B7R1.2 NC1COC(=O)C1 CS14340 [0,0,0,1,0,0|1,0,2]=4 100 B7R1.2 NC1COC(=O)C1 CS14674 [0,0,0,1,0,0|1,0,2]=4 101 B7R1.2 O=C1C=C(Br)CN1 MC431199 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.2 O=C1C=C(Br)CN1 MC431360 [0,0,0,1,0,0|2,0,0]=3 103 B7R1.2 O=C1CCC(=O)N1 MC41707 [0,0,0,1,0,0|3,0,0]=4 104 B7R1.2 O=C1CNC(=O)C1 MC116520 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.2 O=C1CSC(=O)N1 CS22526 [0,0,0,1,0,0|2,1,0]=4 106 B7R1.2 O=C1NOC(=O)N1 MC115169 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.2 OC1=NSC(Cl)=C1 MC31103 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.12 CC1CC1C(=O)O MC100841 [0,0,0,1,0,0|0,0,2]=3 109 B7R1.12 CC1CC1C(=O)O MC103281 [0,0,0,1,0,0|0,0,2]=3 110 B7R1.12 CC1CC1C(N)=O MC425328 [0,0,0,1,0,0|1,0,2]=4 111 B7R1.12 O=C(O)C1CC1Br MC430635 [0,0,0,1,0,0|1,0,2]=4 112 B7R1.12 O=C(O)C1CC1F MC21162 [0,0,0,1,0,0|1,0,2]=4 113 B7R1.12 O=C(O)C1CC1F MC425300 [0,0,0,1,0,0|1,0,2]=4 114 B7R1.12 O=C(O)C1CC1F MC425301 [0,0,0,1,0,0|1,0,2]=4 115 B7R1.12 O=C(O)C1CC1F MC425302 [0,0,0,1,0,0|1,0,2]=4 116 B7R1.12 O=C(O)C1CC1F MC425316 [0,0,0,1,0,0|1,0,2]=4 117 B7R1.12 O=C(O)C1CC1I MC102749 [0,0,0,1,0,0|1,0,2]=4 118 B7R1.12 O=C(O)C1CC1I MC425298 [0,0,0,1,0,0|1,0,2]=4 119 B7R1.20 O=C(O)CC1CC1 MC433946 [0,0,0,1,0,0|0,0,2]=3 120 B5R0.5 CC(=O)C(=O)O MC41939 [0,0,0,0,1,0|1,0,0]=2 121 B5R0.5 CC(Br)C(=O)O MC20444 [0,0,0,0,1,0|1,0,1]=3 122 B5R0.5 CC(C)C(=O)Cl MC40490 [0,0,0,0,1,0|1,0,1]=3 123 B5R0.5 CC(C)C(N)=O CS21696 [0,0,0,0,1,0|1,0,1]=3 124 B5R0.5 CC(Cl)C(=O)O MC20315 [0,0,0,0,1,0|1,0,1]=3 125 B5R0.5 CC(Cl)C(=O)O MC436860 [0,0,0,0,1,0|1,0,1]=3 126 B5R0.5 CC(F)C(=O)O MC429445 [0,0,0,0,1,0|1,0,1]=3 127 B5R0.5 CC(N)C(=O)O CS18992 [0,0,0,0,1,0|1,0,1]=3 128 B5R0.5 CC(N)C(=O)O CS19143 [0,0,0,0,1,0|1,0,1]=3 129 B5R0.5 CC(N)C(=O)O MC428047 [0,0,0,0,1,0|1,0,1]=3 130 B5R0.5 CC(N)C(N)=O CS15732 [0,0,0,0,1,0|2,0,1]=4 131 B5R0.5 CC(N)C(N)=O CS22529 [0,0,0,0,1,0|2,0,1]=4 132 B5R0.5 CC(N)C(N)=O MC436152 [0,0,0,0,1,0|2,0,1]=4 133 B5R0.5 CC(N)C(N)=O MC436153 [0,0,0,0,1,0|2,0,1]=4 134 B5R0.5 CC(O)C(=O)O MC437817 [0,0,0,0,1,0|1,0,1]=3 135 B5R0.5 CN(C)C(=O)Cl MC428263 [0,0,0,0,1,0|2,0,0]=3 136 B5R0.5 CN(C)C(N)=S MC427479 [0,0,0,0,1,0|2,1,0]=4 137 B5R0.5 NC(=O)C(N)=O MC20822 [0,0,0,0,1,0|3,0,0]=4 138 B5R0.5 O=C(O)C(=O)O CS11387 [0,0,0,0,1,0|2,0,0]=3 139 B5R0.5 O=C(O)C(=O)O MC425345 [0,0,0,0,1,0|2,0,0]=3 140 B5R0.5 O=C(O)C(F)F MC20641 [0,0,0,0,1,0|2,0,1]=4 141 B5R0.5 O=C([O-])C(=O)[O-] MC114602 [0,0,0,0,1,0|2,0,1]=4 142 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,0,0,0,0,1|0,0,2]=3 143 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,0,0,0,0,1|1,0,1]=3 144 B7R0.6 CC(=O)NCC(=O)O CS19131 [0,0,0,0,0,1|1,0,1]=3 145 B7R0.6 CC(C)CCC(=O)Cl MC20895 [0,0,0,0,0,1|1,0,2]=4 146 B7R0.6 CC(N)CCC(=O)O MC435302 [0,0,0,0,0,1|1,0,2]=4 147 B7R0.6 CN(C)CCC(=O)O CS12169 [0,0,0,0,0,1|1,0,1]=3 148 B7R0.6 O=C(O)C#CC(=O)O MC20681 [0,0,0,0,0,1|2,0,1]=4 149 B4R0.1 C#CC(=O)O MC428031 [2,0,0,0,0,0|0,0,2]=4 150 B4R0.1 C=CC(N)=O MC41857 [2,0,0,0,0,0|1,0,0]=3 151 B4R0.1 CC(=O)CO CS11467 [2,0,0,0,0,0|1,0,1]=4 152 B4R0.1 CC(=O)NO CS14961 [2,0,0,0,0,0|2,0,0]=4 153 B4R0.1 CC(C)=NO CS10884 [2,0,0,0,0,0|1,0,0]=3 154 B4R0.1 CCC(N)=O CS11886 [2,0,0,0,0,0|1,0,1]=4 155 B4R0.1 CNC(N)=O MC10792 [2,0,0,0,0,0|2,0,0]=4 156 B4R0.1 COC(N)=O CS11667 [2,0,0,0,0,0|2,0,0]=4 157 B4R0.1 C\C(N)=N\O CS10879 [2,0,0,0,0,0|2,0,0]=4 158 B4R0.1 C\C=C(/C)Br MC10255 [2,0,0,0,0,0|1,0,1]=4 159 B4R0.1 NCC(=O)O CS19951 [2,0,0,0,0,0|1,0,1]=4 160 B4R0.1 O=C(O)CCl MC41871 [2,0,0,0,0,0|1,0,1]=4 161 B4R0.1 O=C(O)CO CS19334 [2,0,0,0,0,0|1,0,1]=4 162 B4R0.2 CCCC=O MC41868 [2,0,0,0,0,0|0,0,2]=4 163 B4R0.2 CCOC=O MC41912 [2,0,0,0,0,0|1,0,1]=4 164 B4R0.2 C\C=C\C=O MC41879 [2,0,0,0,0,0|0,0,0]=2 165 B6R0.1 CCOC(=O)CO CS11386 [1,1,0,0,0,0|1,0,1]=4 166 B6R0.1 CNCC(=O)OC MC438154 [1,1,0,0,0,0|1,0,1]=4 167 B6R0.1 COC(=O)\C=C\I MC20613 [1,1,0,0,0,0|1,0,0]=3 168 B6R0.1 C\C=C\C(=O)OC MC41953 [1,1,0,0,0,0|0,0,0]=2 169 B6R0.3 C=CC(N)C(=O)O MC21080 [1,1,0,0,0,0|0,0,2]=4 170 B6R0.3 CCC(=O)C(=O)O CS21626 [1,1,0,0,0,0|0,0,1]=3 171 B6R0.3 CCC(Br)C(=O)O MC426015 [1,1,0,0,0,0|0,0,2]=4 172 B6R0.3 CCC(Cl)C(=O)O MC426016 [1,1,0,0,0,0|0,0,2]=4 173 B6R0.3 CCC(N)C(=O)O CS13661 [1,1,0,0,0,0|0,0,2]=4 174 B6R0.3 CCC(N)C(=O)O CS14054 [1,1,0,0,0,0|0,0,2]=4 175 B6R0.3 CCC(N)C(=O)O CS14084 [1,1,0,0,0,0|0,0,2]=4 176 B6R0.3 CNC(C)C(=O)O MC428068 [1,1,0,0,0,0|1,0,1]=4 177 B6R0.3 CNC(C)C(=O)O MC428076 [1,1,0,0,0,0|1,0,1]=4 178 B6R0.3 CNC(C)C(=O)O MC428084 [1,1,0,0,0,0|1,0,1]=4 179 B6R0.3 COC(C)C(=O)O CS14024 [1,1,0,0,0,0|1,0,1]=4 180 B6R0.3 COC(C)C(=O)O MC425243 [1,1,0,0,0,0|1,0,1]=4 181 B6R0.3 C\C=C(\C)B(O)O MC443605 [1,1,0,0,0,0|1,0,1]=4 182 B6R0.4 C=CCCC(=O)O CS15216 [1,1,0,0,0,0|0,0,2]=4 183 B6R0.4 C=C\C=C\C(=O)O CS12033 [1,1,0,0,0,0|0,0,1]=3 184 B6R0.4 CC(C)=CC[Mg]Cl MC116049 [1,1,0,0,0,0|1,0,1]=4 185 B6R0.4 CC(C)=CC[Zn]Cl MC116080 [1,1,0,0,0,0|1,0,1]=4 186 B6R0.4 CC(C)CCC=O MC428026 [1,1,0,0,0,0|0,0,2]=4 187 B6R0.4 CN(C)\C=C\C=O MC42238 [1,1,0,0,0,0|1,0,0]=3 188 B6R0.4 CO\C=C\C(C)=O MC33352 [1,1,0,0,0,0|1,0,0]=3 189 B6R0.4 NCCCC(=O)O CS14998 [1,1,0,0,0,0|0,0,2]=4 190 B6R0.4 O=C(O)CCCBr CS14053 [1,1,0,0,0,0|0,0,2]=4 191 B6R0.5 CC(C)(C)CC=O MC20142 [1,1,0,0,0,0|0,0,2]=4 192 B6R0.7 CC(=O)C(C)(C)C MC41940 [0,1,0,0,1,0|1,0,1]=4 193 B6R0.7 CC(C)(Br)C(=O)Br MC20867 [0,1,0,0,1,0|1,0,1]=4 194 B6R0.7 CC(C)(Br)C(=O)O CS21332 [0,1,0,0,1,0|0,0,1]=3 195 B6R0.7 CC(C)(C)C(=O)O CS11866 [0,1,0,0,1,0|0,0,1]=3 196 B6R0.7 CC(C)(N)C(=O)O CS15358 [0,1,0,0,1,0|0,0,1]=3 197 B8R0.9 COC(=O)CCC(=O)O CS11694 [0,1,0,0,0,1|1,0,1]=4 198 B8R0.9 NCC(=O)CCC(=O)O CS10222 [0,1,0,0,0,1|1,0,1]=4 199 B8R0.9 NCC(=O)CCC(=O)O MC34214 [0,1,0,0,0,1|1,0,1]=4 200 B8R0.9 O=C(O)CNC(=O)CCl MC436845 [0,1,0,0,0,1|1,0,1]=4 201 B8R0.23 C=C(C)CC(N)C(=O)O MC436932 [0,1,0,0,0,1|0,0,2]=4 202 B8R0.23 CC(=O)CC(=O)C(C)C MC41930 [0,1,0,0,0,1|1,0,1]=4 203 B8R0.23 CC(=O)NC(C)C(=O)O MC436012 [0,1,0,0,0,1|1,0,1]=4 204 B8R0.23 CC(=O)NC(C)C(=O)O MC436013 [0,1,0,0,0,1|1,0,1]=4 205 B8R0.23 CC(=O)NC(C)C(=O)O MC436014 [0,1,0,0,0,1|1,0,1]=4 206 B8R0.23 CC(C)C(C)CC(=O)O MC112320 [0,1,0,0,0,1|0,0,2]=4 207 B8R0.23 CC(C)CC(Br)C(=O)O CS14792 [0,1,0,0,0,1|0,0,2]=4 208 B8R0.23 CC(C)CC(N)C(=O)O CS18600 [0,1,0,0,0,1|0,0,2]=4 209 B8R0.23 CC(C)CC(N)C(=O)O CS18604 [0,1,0,0,0,1|0,0,2]=4 210 B8R0.23 CC(C)CC(N)C(=O)O CS22248 [0,1,0,0,0,1|0,0,2]=4 211 B8R0.23 CC(C)CC(O)C(=O)O MC426019 [0,1,0,0,0,1|0,0,2]=4 212 B8R0.23 CC(C)CC(O)C(=O)O MC437768 [0,1,0,0,0,1|0,0,2]=4 213 B8R0.23 CC(C)CC(O)C(=O)O MC446675 [0,1,0,0,0,1|0,0,2]=4 214 B8R0.29 CC(C)(C)NCC(=O)O MC42032 [0,1,0,0,0,1|0,0,2]=4 215 B8R0.2 CC(C)=C(O)C(O)C=O MC20318 [0,2,0,0,0,0|0,0,1]=3 216 B8R0.2 CCC(C)C(N)C(=O)O MC20633 [0,2,0,0,0,0|0,0,2]=4 217 B8R0.2 CCC(C)C(N)C(=O)O MC437790 [0,2,0,0,0,0|0,0,2]=4 218 B8R0.2 CCC(C)C(N)C(=O)O MC437791 [0,2,0,0,0,0|0,0,2]=4 219 B8R0.2 CCC(C)C(N)C(=O)O MC437792 [0,2,0,0,0,0|0,0,2]=4 220 B8R0.2 CCC(C)C(N)C(=O)O MC437793 [0,2,0,0,0,0|0,0,2]=4 221 B8R0.2 CCC(C)C(N)C(=O)O MC437794 [0,2,0,0,0,0|0,0,2]=4 222 B8R0.2 COC(=O)C(Br)C(C)C CS11601 [0,2,0,0,0,0|0,0,2]=4 223 B8R0.2 COC(=O)C(N)C(C)C CS13949 [0,2,0,0,0,0|0,0,2]=4 224 B8R0.2 COC(=O)C(N)C(C)C CS22265 [0,2,0,0,0,0|0,0,2]=4 225 B8R0.2 COC(=O)C(N)C(C)C MC438304 [0,2,0,0,0,0|0,0,2]=4 226 B8R0.2 COC(=O)C(N)C(C)C MC439083 [0,2,0,0,0,0|0,0,2]=4 227 B8R0.2 COC(C)C(N)C(=O)O MC439018 [0,2,0,0,0,0|0,0,2]=4 228 B8R0.2 O=C\C(Br)=C(\Br)C(=O)O MC427385 [0,2,0,0,0,0|1,0,1]=4 229 B8R0.2 O=C\C(Cl)=C(\Cl)C(=O)O MC41934 [0,2,0,0,0,0|1,0,1]=4 230 B8R0.5 CC(C)OC(=O)OCCl CS19003 [0,2,0,0,0,0|1,0,1]=4 231 B8R0.5 CCOC(=O)C=C(C)C CS11345 [0,2,0,0,0,0|0,0,0]=2 232 B8R0.5 CCOC(=O)CC(C)=O MC41905 [0,2,0,0,0,0|1,0,1]=4 233 B8R0.5 CCOC(=O)\C=C(/C)N CS15795 [0,2,0,0,0,0|1,0,0]=3 234 B8R0.19 CCC(=O)CC(=O)OC CS18389 [0,2,0,0,0,0|1,0,1]=4 235 B8R0.19 COC(=O)CC(=O)CCl MC20592 [0,2,0,0,0,0|1,0,1]=4 236 B8R0.24 CC(C)(C)OC(=O)CO CS21767 [0,2,0,0,0,0|1,0,1]=4 237 B8R0.24 CC(C)(C)OC(=O)NO CS17102 [0,2,0,0,0,0|1,0,1]=4 238 B8R0.27 CC(C)(C)C(=O)C(=O)O MC418492 [0,2,0,0,0,0|0,0,1]=3 239 B8R0.27 CC(C)(C)C(N)C(=O)O CS18601 [0,2,0,0,0,0|0,0,2]=4 240 B8R0.27 CC(C)(C)C(N)C(=O)O CS18605 [0,2,0,0,0,0|0,0,2]=4 241 B8R0.27 CC(C)(C)C(N)C(=O)O CS18608 [0,2,0,0,0,0|0,0,2]=4 242 B8R0.27 CC(C)(F)C(N)C(=O)O MC429244 [0,2,0,0,0,0|0,0,2]=4 243 B8R0.27 CC(C)(S)C(N)C(=O)O MC438067 [0,2,0,0,0,0|0,0,2]=4 244 B8R0.18 CNC(C(=O)O)C(C)C MC437989 [0,2,0,0,0,0|0,0,2]=4 245 B8R0.18 CNC(C(=O)O)C(C)C MC437990 [0,2,0,0,0,0|0,0,2]=4 246 B8R0.37 CC(C)C(C)(N)C(=O)O MC437991 [0,2,0,0,0,0|0,0,2]=4 247 B8R0.37 CC(C)C(C)(N)C(=O)O MC437992 [0,2,0,0,0,0|0,0,2]=4 248 B8R0.37 CC(C)C(C)(N)C(=O)O MC437993 [0,2,0,0,0,0|0,0,2]=4 249 B8R0.37 CC(C)C(C)(O)C(=O)O MC100317 [0,2,0,0,0,0|0,0,2]=4 250 B6R1.2 BrC1=COC=C1 CS19877 [1,0,0,1,0,0|1,0,1]=4 251 B6R1.2 BrC1=NOC=C1 MC113742 [1,0,0,1,0,0|2,0,0]=4 252 B6R1.2 CC1=CC=CN1 CS21660 [1,0,0,1,0,0|2,0,0]=4 253 B6R1.2 CC1=CC=CO1 MC41695 [1,0,0,1,0,0|1,0,1]=4 254 B6R1.2 CC1=CC=CS1 CS21701 [1,0,0,1,0,0|2,0,0]=4 255 B6R1.2 CC1=CC=NN1 MC21108 [1,0,0,1,0,0|2,0,0]=4 256 B6R1.2 CC1=CNC=C1 MC20689 [1,0,0,1,0,0|1,0,1]=4 257 B6R1.2 CC1=COC=N1 MC427478 [1,0,0,1,0,0|1,0,1]=4 258 B6R1.2 CC1=NNC=C1 CS13720 [1,0,0,1,0,0|2,0,0]=4 259 B6R1.2 CC1=NOC=C1 CS11533 [1,0,0,1,0,0|1,0,0]=3 260 B6R1.2 NC1=NOC=C1 CS14368 [1,0,0,1,0,0|2,0,0]=4 261 B6R1.2 O=C1C=CNN1 MC106502 [1,0,0,1,0,0|2,0,0]=4 262 B6R1.2 O=C1C=CON1 MC442265 [1,0,0,1,0,0|2,0,0]=4 263 B6R1.2 O=C1C=CSN1 MC427073 [1,0,0,1,0,0|2,0,0]=4 264 B6R1.2 O=C1OCCO1 CS20012 [1,0,0,1,0,0|1,0,1]=4 265 B6R1.11 O=C(O)C1CC1 CS13839 [1,0,0,1,0,0|0,0,2]=4 266 B6R1.4 CC1COC1=O MC121237 [0,0,0,1,1,0|0,0,1]=3 267 B8R1.3 CC1=CC=C(O)C=C1 MC41204 [0,0,0,1,0,1|1,0,1]=4 268 B8R1.3 CC1=CC=C(O)C=N1 CS19501 [0,0,0,1,0,1|1,0,1]=4 269 B8R1.3 CC1=CC=C(O)N=N1 MC41698 [0,0,0,1,0,1|2,0,0]=4 270 B8R1.3 CC1=CN=C(O)C=C1 CS16275 [0,0,0,1,0,1|1,0,1]=4 271 B8R1.3 CC1=CN=C(O)C=N1 CS12289 [0,0,0,1,0,1|1,0,1]=4 272 B8R1.3 CC1=CNC(=O)C=C1 CS21591 [0,0,0,1,0,1|1,0,1]=4 273 B8R1.3 CC1=NC=C(O)C=N1 CS10401 [0,0,0,1,0,1|2,0,0]=4 274 B8R1.3 CC1=NNC(=O)C=C1 CS19836 [0,0,0,1,0,1|2,0,0]=4 275 B8R1.23 C=C1CC(C(=O)O)C1 MC444295 [0,0,0,1,0,1|0,0,2]=4 276 B8R1.23 CC1CC(C(=O)O)C1 CS15188 [0,0,0,1,0,1|0,0,2]=4 277 B8R1.23 CC1CC(C(=O)O)C1 MC101958 [0,0,0,1,0,1|0,0,2]=4 278 B8R1.23 CC1CC(C(=O)O)C1 MC101959 [0,0,0,1,0,1|0,0,2]=4 279 B8R1.23 CN1CC(C(=O)O)C1 MC444119 [0,0,0,1,0,1|1,0,1]=4 280 B8R1.23 O=C1CC(C(=O)O)C1 CS18894 [0,0,0,1,0,1|1,0,1]=4 281 B8R1.23 O=C1CC(C(=O)O)N1 MC103900 [0,0,0,1,0,1|1,0,1]=4 282 B8R1.35 O=C(O)CCC1CC1 CS19562 [0,0,0,1,0,1|0,0,2]=4 283 B8R1.77 CC1(C)CC1C(=O)O CS19841 [0,0,0,1,0,1|0,0,2]=4 284 B8R1.1 CC1=CC(C=O)=CS1 MC443650 [0,1,0,1,0,0|2,0,0]=4 285 B8R1.1 CC1=CC(CO)=NN1 CS17779 [0,1,0,1,0,0|2,0,0]=4 286 B8R1.1 CC1=COC(C=O)=C1 MC104341 [0,1,0,1,0,0|0,0,1]=3 287 B8R1.1 CC1=COC(C=O)=N1 MC104070 [0,1,0,1,0,0|1,0,1]=4 288 B8R1.1 CC1=COC(CN)=C1 MC105034 [0,1,0,1,0,0|1,0,1]=4 289 B8R1.1 CC1=NSC(C=O)=C1 MC116147 [0,1,0,1,0,0|1,1,0]=4 290 B8R1.1 NCC1COC(=O)N1 MC104254 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.1 NCc1cc(=O)no1 MC437997 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.1 O=C1CC(CF)CO1 MC10217 [0,1,0,1,0,0|0,0,2]=4 293 B8R1.1 O=C1NC(CO)CO1 MC427148 [0,1,0,1,0,0|1,0,1]=4 294 B8R1.1 O=CC1=CC(Br)=CO1 CS22678 [0,1,0,1,0,0|1,0,1]=4 295 B8R1.4 CC1=CC(=O)NN=C1 CS10446 [0,1,0,1,0,0|1,0,1]=4 296 B8R1.4 CC1=CC(O)=NC=C1 CS23034 [0,1,0,1,0,0|1,0,1]=4 297 B8R1.4 CC1=CC(O)=NC=N1 CS19796 [0,1,0,1,0,0|1,0,1]=4 298 B8R1.4 CC1=CC(O)CCC1 MC111652 [0,1,0,1,0,0|1,0,1]=4 299 B8R1.4 CC1=CC=CC(O)=C1 MC41203 [0,1,0,1,0,0|1,0,1]=4 300 B8R1.4 CC1=CN=CC(O)=C1 CS14332 [0,1,0,1,0,0|1,0,1]=4 301 B8R1.4 CC1=NC=CC(O)=C1 CS22867 [0,1,0,1,0,0|1,0,1]=4 302 B8R1.4 CN1CCOC(=O)C1 CS17566 [0,1,0,1,0,0|1,0,1]=4 303 B8R1.18 CC1=C(C)OC(=O)O1 CS18029 [0,1,0,1,0,0|1,0,0]=3 304 B8R1.18 CC1=CC(=O)N(C)N1 CS18184 [0,1,0,1,0,0|2,0,0]=4 305 B8R1.18 CC1=CC(=O)OC1O CS22773 [0,1,0,1,0,0|0,0,0]=2 306 B8R1.18 CC1=CC(C)=NN1C CS19810 [0,1,0,1,0,0|2,0,0]=4 307 B8R1.18 CC1=CC(N)=NN1C CS13792 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.18 O=C1C=C(Br)C(=O)O1 MC444615 [0,1,0,1,0,0|1,0,1]=4 309 B8R1.18 O=C1C=C(Cl)C(O)O1 MC103260 [0,1,0,1,0,0|1,0,0]=3 310 B8R1.34 CC(=O)C=C1COC1 MC425334 [0,1,0,1,0,0|1,0,0]=3 311 B8R1.34 O=C(O)CC1CCC1 CS11177 [0,1,0,1,0,0|0,0,2]=4 312 B8R1.34 O=C(O)CC1CNC1 MC103917 [0,1,0,1,0,0|0,0,2]=4 313 B8R1.34 O=C(O)CC1CNC1 MC444240 [0,1,0,1,0,0|0,0,2]=4 314 B8R1.34 O=C(O)CC1COC1 MC444158 [0,1,0,1,0,0|0,0,2]=4 315 B8R1.50 CC1=C(O)C(=O)CC1 CS16508 [0,1,0,1,0,0|1,0,0]=3 316 B8R1.50 CC1=NOC(C)=C1I CS17867 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.50 CC1=NOC(C)=C1N MC425384 [0,1,0,1,0,0|2,0,0]=4 318 B8R1.54 O=C(O)C(=O)C1CC1 CS15905 [0,1,0,1,0,0|0,0,1]=3 319 B8R1.54 O=C([O-])C(=O)C1CC1 MC121058 [0,1,0,1,0,0|0,0,2]=4 320 B8R2.66 O=C(O)C12CC1C2 MC104145 [0,0,0,2,0,0|0,0,2]=4 321 B8R0.28 CN(C)CCCC(=O)O CS18615 [0,0,0,0,0,2|1,0,1]=4 322 B8R0.28 CN(C)C\C=C\C(=O)O CS15971 [0,0,0,0,0,2|1,0,0]=3 323 B8R0.28 CN(C)C\C=C\C(=O)O CS16134 [0,0,0,0,0,2|1,0,0]=3 324 B8R0.28 CN(C)C\C=C\C(=O)O CS17703 [0,0,0,0,0,2|1,0,0]=3