0 B6R0.3 C=CC(N)C(=O)O MC21080 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.3 CC(CN)C(=O)O MC105846 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.3 CC(CN)C(=O)O MC105847 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.3 CCC(=O)C(=O)O CS21626 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.3 CCC(Br)C(=O)O MC426015 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.3 CCC(Cl)C(=O)O MC426016 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.3 CCC(N)C(=O)O CS13661 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.3 CCC(N)C(=O)O CS14054 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.3 CCC(N)C(=O)O CS14084 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.3 CCC(N)C(N)=O CS15891 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.3 CCC(N)C(N)=O MC436006 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.3 CNC(C)C(=O)O MC428068 [0,0,0,0,0,0|1,0,1]=2 12 B6R0.3 CNC(C)C(=O)O MC428076 [0,0,0,0,0,0|1,0,1]=2 13 B6R0.3 CNC(C)C(=O)O MC428084 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.3 COC(=O)C(C)O MC20343 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.3 COC(=O)C(N)=S MC430693 [0,0,0,0,0,0|3,1,0]=4 16 B6R0.3 COC(C)C(=O)O CS14024 [0,0,0,0,0,0|1,0,1]=2 17 B6R0.3 COC(C)C(=O)O MC425243 [0,0,0,0,0,0|1,0,1]=2 18 B6R0.3 CON(C)C(C)=O CS11789 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.3 C\C=C(\C)B(O)O MC443605 [0,0,0,0,0,0|1,0,1]=2 20 B6R0.3 NC(CCl)C(=O)O MC436849 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.3 NC(CCl)C(=O)O MC436850 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.3 NC(CCl)C(=O)O MC436851 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.3 NC(CCl)C(=O)O MC436852 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.3 NC(CF)C(=O)O MC437009 [0,0,0,0,0,0|2,0,2]=4 25 B6R0.3 NC(CO)C(=O)O CS14731 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.3 NC(CO)C(=O)O CS18949 [0,0,0,0,0,0|2,0,2]=4 27 B6R0.3 NC(CO)C(=O)O CS19144 [0,0,0,0,0,0|2,0,2]=4 28 B6R0.3 NC(CS)C(=O)O CS19113 [0,0,0,0,0,0|2,0,2]=4 29 B6R0.3 NC(CS)C(=O)O CS19417 [0,0,0,0,0,0|2,0,2]=4 30 B6R0.3 NC(CS)C(=O)O CS19655 [0,0,0,0,0,0|2,0,2]=4 31 B6R0.3 NC(CS)C(=O)O MC428046 [0,0,0,0,0,0|2,0,2]=4 32 B6R0.3 NC(CS)C(=O)O MC436887 [0,0,0,0,0,0|2,0,2]=4 33 B6R0.3 NC(CS)C(=O)O MC436888 [0,0,0,0,0,0|2,0,2]=4 34 B6R0.3 NC(CS)C(=O)O MC439001 [0,0,0,0,0,0|2,0,2]=4 35 B6R0.3 NC(C[SeH])C(=O)O MC435423 [0,0,0,0,0,0|2,0,2]=4 36 B6R0.3 NCC(N)C(=O)O CS14756 [0,0,0,0,0,0|2,0,2]=4 37 B6R0.3 NCC(N)C(=O)O CS19624 [0,0,0,0,0,0|2,0,2]=4 38 B6R0.3 NCC(N)C(=O)O CS19672 [0,0,0,0,0,0|2,0,2]=4 39 B6R0.3 NCC(O)C(=O)O CS20294 [0,0,0,0,0,0|2,0,2]=4 40 B6R0.3 NCC(O)C(=O)O MC437816 [0,0,0,0,0,0|2,0,2]=4 41 B6R0.3 O=C(O)C(Br)CBr CS15215 [0,0,0,0,0,0|2,0,2]=4 42 B6R0.3 O=C(O)C(O)CCl MC10790 [0,0,0,0,0,0|2,0,2]=4 43 B6R0.3 O=C([O-])C(=O)CBr MC34359 [0,0,0,0,0,0|2,0,2]=4 44 B5R0.1 CC#CC(=O)O MC20776 [1,0,0,0,0,0|0,0,2]=3 45 B5R0.1 CC(=O)\C=N\O CS11520 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.1 CC(=O)\C=N\O CS18968 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.1 CCCC(C)=O CS21731 [1,0,0,0,0,0|1,0,2]=4 48 B5R0.1 CNCC(=O)O CS18595 [1,0,0,0,0,0|1,0,1]=3 49 B5R0.1 CNCC(N)=O MC438151 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.1 COCC(=O)Cl MC40491 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 COCC(=O)O CS11579 [1,0,0,0,0,0|1,0,1]=3 52 B5R0.1 COCC(N)=O MC41924 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 CSCC(=O)Cl MC106201 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.1 CSCC(N)=O CS12608 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.1 C\C=C\B(O)O MC116392 [1,0,0,0,0,0|1,0,1]=3 56 B5R0.1 C\C=C\C(=O)O MC41882 [1,0,0,0,0,0|0,0,0]=1 57 B5R0.1 N#CCC(=O)O MC41881 [1,0,0,0,0,0|1,0,2]=4 58 B5R0.1 NCCC(=O)O CS13499 [1,0,0,0,0,0|1,0,2]=4 59 B5R0.1 O=C(O)CCO MC20638 [1,0,0,0,0,0|1,0,2]=4 60 B5R0.3 COC(=O)CO CS19433 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.3 COC(C)CO CS12306 [1,0,0,0,0,0|1,0,2]=4 62 B5R0.3 O=CC(=O)CO MC427604 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.3 O=CC(Br)C=O CS18151 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.5 CC(=O)C(=O)O MC41939 [1,0,0,0,0,0|1,0,0]=2 65 B5R0.5 CC(Br)C(=O)O MC20444 [1,0,0,0,0,0|1,0,1]=3 66 B5R0.5 CC(C)C(=O)Cl MC40490 [1,0,0,0,0,0|1,0,1]=3 67 B5R0.5 CC(C)C(N)=O CS21696 [1,0,0,0,0,0|1,0,1]=3 68 B5R0.5 CC(Cl)C(=O)O MC20315 [1,0,0,0,0,0|1,0,1]=3 69 B5R0.5 CC(Cl)C(=O)O MC436860 [1,0,0,0,0,0|1,0,1]=3 70 B5R0.5 CC(F)C(=O)O MC429445 [1,0,0,0,0,0|1,0,1]=3 71 B5R0.5 CC(N)C(=O)O CS18992 [1,0,0,0,0,0|1,0,1]=3 72 B5R0.5 CC(N)C(=O)O CS19143 [1,0,0,0,0,0|1,0,1]=3 73 B5R0.5 CC(N)C(=O)O MC428047 [1,0,0,0,0,0|1,0,1]=3 74 B5R0.5 CC(N)C(N)=O CS15732 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.5 CC(N)C(N)=O CS22529 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.5 CC(N)C(N)=O MC436152 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.5 CC(N)C(N)=O MC436153 [1,0,0,0,0,0|2,0,1]=4 78 B5R0.5 CC(O)C(=O)O MC437817 [1,0,0,0,0,0|1,0,1]=3 79 B5R0.5 CN(C)C(=O)Cl MC428263 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.5 CN(C)C(N)=S MC427479 [1,0,0,0,0,0|2,1,0]=4 81 B5R0.5 NC(=O)C(N)=O MC20822 [1,0,0,0,0,0|3,0,0]=4 82 B5R0.5 O=C(O)C(=O)O CS11387 [1,0,0,0,0,0|2,0,0]=3 83 B5R0.5 O=C(O)C(=O)O MC425345 [1,0,0,0,0,0|2,0,0]=3 84 B5R0.5 O=C(O)C(F)F MC20641 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.5 O=C([O-])C(=O)[O-] MC114602 [1,0,0,0,0,0|2,0,1]=4 86 B7R0.5 C=CCC(N)C(=O)O MC439179 [0,1,0,0,0,0|1,0,2]=4 87 B7R0.5 CCCC(N)C(=O)O CS10518 [0,1,0,0,0,0|1,0,2]=4 88 B7R0.5 CCCC(N)C(=O)O CS17028 [0,1,0,0,0,0|1,0,2]=4 89 B7R0.5 CCCC(N)C(=O)O MC439125 [0,1,0,0,0,0|1,0,2]=4 90 B7R0.5 COCC(N)C(=O)O CS12183 [0,1,0,0,0,0|1,0,2]=4 91 B7R0.5 COCC(N)C(=O)O CS16755 [0,1,0,0,0,0|1,0,2]=4 92 B7R0.5 COCC(N)C(=O)O CS20335 [0,1,0,0,0,0|1,0,2]=4 93 B7R0.5 CSCC(N)C(=O)O MC439293 [0,1,0,0,0,0|1,0,2]=4 94 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [0,1,0,0,0,0|1,0,2]=4 95 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [0,1,0,0,0,0|1,0,2]=4 96 B7R0.5 NC(CCO)C(=O)O CS13886 [0,1,0,0,0,0|1,0,2]=4 97 B7R0.5 NC(CCO)C(=O)O CS16701 [0,1,0,0,0,0|1,0,2]=4 98 B7R0.5 NC(CCO)C(=O)O CS22620 [0,1,0,0,0,0|1,0,2]=4 99 B7R0.5 NCCC(N)C(=O)O CS13874 [0,1,0,0,0,0|1,0,2]=4 100 B7R0.5 NCCC(N)C(=O)O CS15080 [0,1,0,0,0,0|1,0,2]=4 101 B7R0.5 NCCC(N)C(=O)O MC436921 [0,1,0,0,0,0|1,0,2]=4 102 B7R0.5 NCCC(N)C(=O)O MC439091 [0,1,0,0,0,0|1,0,2]=4 103 B7R0.5 NCCC(N)C(=O)O MC439321 [0,1,0,0,0,0|1,0,2]=4 104 B7R0.5 NCCC(O)C(=O)O CS15496 [0,1,0,0,0,0|1,0,2]=4 105 B7R0.5 NCCC(O)C(=O)O CS21759 [0,1,0,0,0,0|1,0,2]=4 106 B7R0.10 C=C(CBr)C(=O)OC CS11592 [0,1,0,0,0,0|1,0,2]=4 107 B7R0.10 C=C(CO)C(=O)OC CS12335 [0,1,0,0,0,0|1,0,2]=4 108 B7R0.10 CCC(Br)C(=O)OC CS14136 [0,1,0,0,0,0|1,0,2]=4 109 B7R0.10 CCC(N)C(=O)OC MC436010 [0,1,0,0,0,0|1,0,2]=4 110 B7R0.10 CNC(C)C(=O)OC MC437898 [0,1,0,0,0,0|1,0,1]=3 111 B7R0.10 COC(=O)C(=O)CBr CS15824 [0,1,0,0,0,0|2,0,1]=4 112 B7R0.10 COC(=O)C(C)CBr MC428281 [0,1,0,0,0,0|1,0,2]=4 113 B7R0.10 CON(C)C(=O)CCl MC33020 [0,1,0,0,0,0|3,0,0]=4 114 B7R0.13 CC(C)(CO)C(=O)O CS19743 [0,1,0,0,0,0|1,0,2]=4 115 B7R0.13 CC(N)(CO)C(=O)O MC437944 [0,1,0,0,0,0|1,0,2]=4 116 B7R0.13 CC(N)(CO)C(=O)O MC437946 [0,1,0,0,0,0|1,0,2]=4 117 B7R0.13 CC(N)(CS)C(=O)O MC445186 [0,1,0,0,0,0|1,0,2]=4 118 B7R0.13 CC(O)(CBr)C(=O)O CS14051 [0,1,0,0,0,0|1,0,2]=4 119 B7R0.13 CCC(C)(N)C(=O)O CS16944 [0,1,0,0,0,0|0,0,2]=3 120 B7R0.13 CNC(C)(C)C(=O)O MC437895 [0,1,0,0,0,0|1,0,1]=3 121 B7R0.15 CCC(CC)C(=O)[O-] MC21097 [0,1,0,0,0,0|0,0,3]=4 122 B7R0.15 CCC(CC)C(C)=O MC425625 [0,1,0,0,0,0|1,0,2]=4 123 B7R0.15 CCC(CN)C(=O)O MC105840 [0,1,0,0,0,0|0,0,2]=3 124 B7R0.15 CCC(CN)C(=O)O MC105841 [0,1,0,0,0,0|0,0,2]=3 125 B7R0.15 CNC(CO)C(=O)O MC435500 [0,1,0,0,0,0|1,0,1]=3 126 B7R0.15 CNC(CO)C(=O)O MC437945 [0,1,0,0,0,0|1,0,1]=3 127 B7R0.15 COC(OC)C(C)=O MC20526 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.16 CC(C)C(=O)C(=O)[O-] CS22357 [0,1,0,0,0,0|1,0,2]=4 129 B7R0.16 CC(C)C(Br)C(=O)O MC431184 [0,1,0,0,0,0|1,0,2]=4 130 B7R0.16 CC(C)C(Cl)C(=O)O MC426014 [0,1,0,0,0,0|1,0,2]=4 131 B7R0.16 CC(C)C(F)C(=O)O MC429818 [0,1,0,0,0,0|1,0,2]=4 132 B7R0.16 CC(C)C(N)C(=O)O CS19285 [0,1,0,0,0,0|1,0,2]=4 133 B7R0.16 CC(C)C(N)C(=O)O MC438291 [0,1,0,0,0,0|1,0,2]=4 134 B7R0.16 CC(C)C(N)C(=O)O MC438292 [0,1,0,0,0,0|1,0,2]=4 135 B7R0.16 CC(C)C(O)C(=O)O MC437769 [0,1,0,0,0,0|1,0,2]=4 136 B7R0.16 CC(C)C(O)C(=O)O MC437770 [0,1,0,0,0,0|1,0,2]=4 137 B7R0.16 CC(O)C(N)C(=O)O CS16722 [0,1,0,0,0,0|1,0,2]=4 138 B7R0.16 CC(O)C(N)C(=O)O CS22619 [0,1,0,0,0,0|1,0,2]=4 139 B7R0.16 CC(O)C(N)C(=O)O MC438198 [0,1,0,0,0,0|1,0,2]=4 140 B7R0.16 CC(O)C(N)C(=O)O MC438199 [0,1,0,0,0,0|1,0,2]=4 141 B7R0.16 CC(O)C(N)C(=O)O MC438200 [0,1,0,0,0,0|1,0,2]=4 142 B7R0.16 CN(C)C(=O)C(=O)O CS11735 [0,1,0,0,0,0|2,0,0]=3 143 B7R0.16 O=C(O)C(=O)C(Br)Br CS18490 [0,1,0,0,0,0|2,0,1]=4 144 B7R1.4 CC1=C(Br)SC=C1 CS13700 [0,0,0,1,0,0|1,1,1]=4 145 B7R1.4 CC1=CNN=C1C CS13346 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.4 CC1=CSC=C1Br MC441134 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.4 CC1=CSC=C1N MC427269 [0,0,0,1,0,0|3,0,0]=4 148 B7R1.4 CC1OCCC1=O CS14135 [0,0,0,1,0,0|2,0,1]=4 149 B7R1.4 CN1CCCC1=O MC41699 [0,0,0,1,0,0|2,0,1]=4 150 B7R1.4 NC1CCOC1=O CS18578 [0,0,0,1,0,0|1,0,2]=4 151 B7R1.4 NC1CCOC1=O MC439296 [0,0,0,1,0,0|1,0,2]=4 152 B7R1.4 NN1CCOC1=O MC102926 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.4 O=C1CCC=C1O CS14654 [0,0,0,1,0,0|2,0,0]=3 154 B7R1.12 CC1CC1C(=O)O MC100841 [0,0,0,1,0,0|0,0,2]=3 155 B7R1.12 CC1CC1C(=O)O MC103281 [0,0,0,1,0,0|0,0,2]=3 156 B7R1.12 CC1CC1C(N)=O MC425328 [0,0,0,1,0,0|1,0,2]=4 157 B7R1.12 O=C(O)C1CC1Br MC430635 [0,0,0,1,0,0|1,0,2]=4 158 B7R1.12 O=C(O)C1CC1F MC21162 [0,0,0,1,0,0|1,0,2]=4 159 B7R1.12 O=C(O)C1CC1F MC425300 [0,0,0,1,0,0|1,0,2]=4 160 B7R1.12 O=C(O)C1CC1F MC425301 [0,0,0,1,0,0|1,0,2]=4 161 B7R1.12 O=C(O)C1CC1F MC425302 [0,0,0,1,0,0|1,0,2]=4 162 B7R1.12 O=C(O)C1CC1F MC425316 [0,0,0,1,0,0|1,0,2]=4 163 B7R1.12 O=C(O)C1CC1I MC102749 [0,0,0,1,0,0|1,0,2]=4 164 B7R1.12 O=C(O)C1CC1I MC425298 [0,0,0,1,0,0|1,0,2]=4 165 B7R1.18 O=C(O)C1CCC1 CS22786 [0,0,0,1,0,0|0,0,2]=3 166 B7R1.18 O=C(O)C1CCN1 CS16493 [0,0,0,1,0,0|1,0,1]=3 167 B7R1.18 O=C(O)C1CCN1 CS16972 [0,0,0,1,0,0|1,0,1]=3 168 B7R1.18 O=C(O)C1CCN1 CS18844 [0,0,0,1,0,0|1,0,1]=3 169 B7R1.18 O=C(O)C1CCN1 MC436280 [0,0,0,1,0,0|1,0,1]=3 170 B7R1.18 O=C(O)C1CCO1 MC115721 [0,0,0,1,0,0|1,0,1]=3 171 B7R1.18 O=C(O)C1CNC1 CS16485 [0,0,0,1,0,0|1,0,2]=4 172 B7R1.18 O=C(O)C1COC1 CS22389 [0,0,0,1,0,0|1,0,2]=4 173 B7R1.18 O=C(O)C1CSC1 MC100118 [0,0,0,1,0,0|1,0,2]=4 174 B7R1.19 CC1(C(N)=O)CC1 MC106205 [0,0,0,1,0,0|1,0,2]=4 175 B7R1.19 NC1(C(=O)O)CC1 CS16477 [0,0,0,1,0,0|1,0,2]=4 176 B7R1.19 O=C(O)C1(Br)CC1 CS15760 [0,0,0,1,0,0|1,0,2]=4 177 B7R1.19 O=C(O)C1(F)CC1 CS13809 [0,0,0,1,0,0|1,0,2]=4 178 B7R0.2 CC(=O)\C=C(\C)O[Rh] MC445002 [0,0,0,0,0,1|3,0,0]=4 179 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,0,0,0,0,1|2,0,1]=4 180 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,0,0,0,0,1|2,0,1]=4 181 B7R0.2 COC(=O)CC(=O)O CS13436 [0,0,0,0,0,1|2,0,0]=3 182 B7R0.2 COC(=O)CC(=O)[O-] MC41937 [0,0,0,0,0,1|2,0,1]=4 183 B7R0.2 COC(=O)CC(C)=O MC41927 [0,0,0,0,0,1|3,0,0]=4 184 B4R0.1 C#CC(=O)O MC428031 [2,0,0,0,0,0|0,0,2]=4 185 B4R0.1 C=CC(N)=O MC41857 [2,0,0,0,0,0|1,0,0]=3 186 B4R0.1 CC(=O)CBr MC20986 [2,0,0,0,0,0|1,0,1]=4 187 B4R0.1 CC(=O)CN CS10921 [2,0,0,0,0,0|1,0,1]=4 188 B4R0.1 CC(=O)CO CS11467 [2,0,0,0,0,0|1,0,1]=4 189 B4R0.1 CC(=O)NN CS10881 [2,0,0,0,0,0|2,0,0]=4 190 B4R0.1 CC(=O)NO CS14961 [2,0,0,0,0,0|2,0,0]=4 191 B4R0.1 CC(C)=NO CS10884 [2,0,0,0,0,0|1,0,0]=3 192 B4R0.1 CCC(C)O MC10786 [2,0,0,0,0,0|0,0,2]=4 193 B4R0.1 CCC(N)=O CS11886 [2,0,0,0,0,0|1,0,1]=4 194 B4R0.1 CNC(N)=O MC10792 [2,0,0,0,0,0|2,0,0]=4 195 B4R0.1 COC(N)=O CS11667 [2,0,0,0,0,0|2,0,0]=4 196 B4R0.1 C\C(N)=N\O CS10879 [2,0,0,0,0,0|2,0,0]=4 197 B4R0.1 C\C=C(/C)Br MC10255 [2,0,0,0,0,0|1,0,0]=3 198 B4R0.1 NCC(=O)O CS19951 [2,0,0,0,0,0|1,0,1]=4 199 B4R0.1 O=C(O)CCl MC41871 [2,0,0,0,0,0|1,0,1]=4 200 B4R0.1 O=C(O)CO CS19334 [2,0,0,0,0,0|1,0,1]=4 201 B4R0.2 CCCC=O MC41868 [2,0,0,0,0,0|0,0,2]=4 202 B4R0.2 CCOC=O MC41912 [2,0,0,0,0,0|1,0,1]=4 203 B4R0.2 C\C=C\C=O MC41879 [2,0,0,0,0,0|0,0,0]=2 204 B6R0.1 CCOC(=O)CO CS11386 [1,1,0,0,0,0|1,0,1]=4 205 B6R0.1 CNCC(=O)OC MC438154 [1,1,0,0,0,0|1,0,1]=4 206 B6R0.1 COC(=O)\C=C\I MC20613 [1,1,0,0,0,0|1,0,0]=3 207 B6R0.1 C\C=C\C(=O)OC MC41953 [1,1,0,0,0,0|0,0,0]=2 208 B6R0.2 CC(=O)\C=C(/C)N MC105899 [1,1,0,0,0,0|1,0,0]=3 209 B6R0.2 CC(Br)CC(=O)O MC106689 [1,1,0,0,0,0|0,0,2]=4 210 B6R0.2 CC(C)=CC(=O)O CS14947 [1,1,0,0,0,0|0,0,0]=2 211 B6R0.2 CC(N)CC(=O)O CS19028 [1,1,0,0,0,0|0,0,2]=4 212 B6R0.2 CC(N)CC(=O)O CS20346 [1,1,0,0,0,0|0,0,2]=4 213 B6R0.2 CC(N)CC(=O)O MC439098 [1,1,0,0,0,0|0,0,2]=4 214 B6R0.2 CC(O)CC(=O)O MC426020 [1,1,0,0,0,0|0,0,2]=4 215 B6R0.2 CC(O)CC(=O)O MC426021 [1,1,0,0,0,0|0,0,2]=4 216 B6R0.2 CN(C)CC(=O)O CS13413 [1,1,0,0,0,0|1,0,1]=4 217 B6R0.2 O=C(O)CC(=O)O MC41922 [1,1,0,0,0,0|1,0,1]=4 218 B6R0.2 O=C(O)CC(=O)O MC41938 [1,1,0,0,0,0|1,0,1]=4 219 B6R0.4 C=CCCC(=O)O CS15216 [1,1,0,0,0,0|0,0,2]=4 220 B6R0.4 C=C\C=C\C(=O)O CS12033 [1,1,0,0,0,0|0,0,1]=3 221 B6R0.4 CO\C=C\C(C)=O MC33352 [1,1,0,0,0,0|1,0,0]=3 222 B6R0.4 NCCCC(=O)O CS14998 [1,1,0,0,0,0|0,0,2]=4 223 B6R0.4 O=C(O)CCCBr CS14053 [1,1,0,0,0,0|0,0,2]=4 224 B6R0.7 CC(=O)C(C)(C)C MC41940 [1,1,0,0,0,0|1,0,1]=4 225 B6R0.7 CC(C)(Br)C(=O)Br MC20867 [1,1,0,0,0,0|1,0,1]=4 226 B6R0.7 CC(C)(Br)C(=O)O CS21332 [1,1,0,0,0,0|0,0,1]=3 227 B6R0.7 CC(C)(C)C(=O)O CS11866 [1,1,0,0,0,0|0,0,1]=3 228 B6R0.7 CC(C)(N)C(=O)O CS15358 [1,1,0,0,0,0|0,0,1]=3 229 B8R0.2 CCC(C)C(N)C(=O)O MC20633 [0,1,0,0,0,1|0,0,2]=4 230 B8R0.2 CCC(C)C(N)C(=O)O MC437790 [0,1,0,0,0,1|0,0,2]=4 231 B8R0.2 CCC(C)C(N)C(=O)O MC437791 [0,1,0,0,0,1|0,0,2]=4 232 B8R0.2 CCC(C)C(N)C(=O)O MC437792 [0,1,0,0,0,1|0,0,2]=4 233 B8R0.2 CCC(C)C(N)C(=O)O MC437793 [0,1,0,0,0,1|0,0,2]=4 234 B8R0.2 CCC(C)C(N)C(=O)O MC437794 [0,1,0,0,0,1|0,0,2]=4 235 B8R0.2 COC(C)C(N)C(=O)O MC439018 [0,1,0,0,0,1|1,0,1]=4 236 B8R0.2 O=C\C(Br)=C(\Br)C(=O)O MC427385 [0,1,0,0,0,1|2,0,0]=4 237 B8R0.2 O=C\C(Cl)=C(\Cl)C(=O)O MC41934 [0,1,0,0,0,1|2,0,0]=4 238 B8R0.19 CCC(=O)CC(=O)OC CS18389 [0,1,0,0,0,1|1,0,1]=4 239 B8R0.23 CC(C)C(C)CC(=O)O MC112320 [0,1,0,0,0,1|0,0,2]=4 240 B8R0.3 CCOC(=O)C(=O)CC CS13439 [0,2,0,0,0,0|1,0,1]=4 241 B8R0.3 COC(=O)C(C)NC=O MC437638 [0,2,0,0,0,0|1,0,1]=4 242 B8R0.3 CO\C=C(\I)C(=O)OC MC102977 [0,2,0,0,0,0|1,0,0]=3 243 B8R0.12 C=CCC(C)(C)C(=O)O MC20650 [0,2,0,0,0,0|0,0,2]=4 244 B8R0.12 CC(C)(CCN)C(=O)O MC442790 [0,2,0,0,0,0|0,0,2]=4 245 B8R0.15 CCCC(NC)C(=O)O MC435490 [0,2,0,0,0,0|0,0,2]=4 246 B8R0.15 CCCC(NC)C(=O)O MC437925 [0,2,0,0,0,0|0,0,2]=4 247 B8R0.20 CNC(CO)C(=O)OC MC435501 [0,2,0,0,0,0|1,0,1]=4 248 B8R0.20 CNC(CO)C(=O)OC MC435502 [0,2,0,0,0,0|1,0,1]=4 249 B8R0.36 CCC(C)(CC)C(=O)O MC105694 [0,2,0,0,0,0|0,0,2]=4 250 B8R0.36 CCC(N)(CC)C(=O)O MC439327 [0,2,0,0,0,0|0,0,2]=4 251 B8R0.37 CC(=O)C(C)(C)C(C)=O MC445207 [0,2,0,0,0,0|1,0,1]=4 252 B8R0.37 CC(C)C(C)(N)C(=O)O MC437991 [0,2,0,0,0,0|0,0,2]=4 253 B8R0.37 CC(C)C(C)(N)C(=O)O MC437992 [0,2,0,0,0,0|0,0,2]=4 254 B8R0.37 CC(C)C(C)(N)C(=O)O MC437993 [0,2,0,0,0,0|0,0,2]=4 255 B8R0.37 CC(C)C(C)(O)C(=O)O MC100317 [0,2,0,0,0,0|0,0,2]=4 256 B8R0.27 CC(C)(C)C(=O)C(=O)O MC418492 [0,2,0,0,0,0|1,0,1]=4 257 B8R0.18 CNC(C(=O)O)C(C)C MC437989 [0,2,0,0,0,0|0,0,2]=4 258 B8R0.18 CNC(C(=O)O)C(C)C MC437990 [0,2,0,0,0,0|0,0,2]=4 259 B8R0.18 CNC(C(=O)O)C(C)O MC435508 [0,2,0,0,0,0|0,0,2]=4 260 B8R0.18 CNC(C(=O)O)C(C)O MC437968 [0,2,0,0,0,0|0,0,2]=4 261 B6R1.2 CC1=CC=CO1 MC41695 [1,0,0,1,0,0|1,0,1]=4 262 B6R1.2 O=C1C=CNN1 MC106502 [1,0,0,1,0,0|2,0,0]=4 263 B6R1.2 O=C1C=CON1 MC442265 [1,0,0,1,0,0|2,0,0]=4 264 B6R1.2 O=C1C=CSN1 MC427073 [1,0,0,1,0,0|2,0,0]=4 265 B6R1.2 O=C1OCCO1 CS20012 [1,0,0,1,0,0|1,0,1]=4 266 B6R1.11 O=C(O)C1CC1 CS13839 [1,0,0,1,0,0|0,0,2]=4 267 B8R1.4 CC1=CC(=O)NN=C1 CS10446 [0,0,0,1,0,1|2,0,0]=4 268 B8R1.4 CC1=CC(O)=NC=C1 CS23034 [0,0,0,1,0,1|1,0,1]=4 269 B8R1.4 CC1=CC=CC(=O)N1 CS19499 [0,0,0,1,0,1|1,0,1]=4 270 B8R1.4 CC1=CC=CC(O)=C1 MC41203 [0,0,0,1,0,1|1,0,1]=4 271 B8R1.4 CC1=CN=CC(O)=C1 CS14332 [0,0,0,1,0,1|2,0,0]=4 272 B8R1.4 CC1=CN=CC(O)=N1 CS21596 [0,0,0,1,0,1|2,0,0]=4 273 B8R1.4 CC1=NC(O)=NC=C1 CS21586 [0,0,0,1,0,1|1,0,1]=4 274 B8R1.4 CN1CCOC(=O)C1 CS17566 [0,0,0,1,0,1|1,0,1]=4 275 B8R1.18 CC1=C(C)OC(=O)O1 CS18029 [0,0,0,1,0,1|0,0,0]=2 276 B8R1.18 CC1=C(C)SC(Br)=N1 CS13229 [0,0,0,1,0,1|1,1,0]=4 277 B8R1.18 CC1=C(C)SC(N)=N1 CS21234 [0,0,0,1,0,1|1,1,0]=4 278 B8R1.18 CC1=CC(=O)OC1O CS22773 [0,0,0,1,0,1|1,0,1]=4 279 B8R1.18 CC1CC(=O)OC1=O MC440511 [0,0,0,1,0,1|1,0,1]=4 280 B8R1.18 CC1NC(=O)OC1=O CS17248 [0,0,0,1,0,1|1,0,1]=4 281 B8R1.18 CC1NC(=O)OC1=O MC428306 [0,0,0,1,0,1|1,0,1]=4 282 B8R1.18 O=C1C=C(Br)C(=O)O1 MC444615 [0,0,0,1,0,1|2,0,0]=4 283 B8R1.34 O=C(O)CC1CCC1 CS11177 [0,0,0,1,0,1|0,0,2]=4 284 B8R1.5 CC1=C(O)C=CN=C1 CS13965 [0,1,0,1,0,0|1,0,1]=4 285 B8R1.5 CC1=C(O)C=NC=C1 CS22316 [0,1,0,1,0,0|1,0,1]=4 286 B8R1.5 CC1=CC=CC=C1O CS11813 [0,1,0,1,0,0|1,0,1]=4 287 B8R1.5 CC1=CC=CN=C1O CS19498 [0,1,0,1,0,0|1,0,1]=4 288 B8R1.5 CC1=CN=CN=C1O CS10459 [0,1,0,1,0,0|1,0,1]=4 289 B8R1.5 CC1=NC=CC=C1O MC20374 [0,1,0,1,0,0|1,0,1]=4 290 B8R1.5 CC1=NC=CN=C1O CS21577 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.5 O=C1CCCC=C1I MC106097 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.5 O=C1OC=CC=C1O CS22311 [0,1,0,1,0,0|1,0,1]=4 293 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [0,1,0,1,0,0|0,0,2]=4 294 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [0,1,0,1,0,0|0,0,2]=4 295 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [0,1,0,1,0,0|0,0,2]=4 296 B8R1.7 O=C(O)C1=CC=NO1 CS15566 [0,1,0,1,0,0|1,0,1]=4 297 B8R1.7 O=C(O)C1=CN=CS1 CS15551 [0,1,0,1,0,0|1,0,1]=4 298 B8R1.7 O=C(O)C1=CNC=C1 CS16294 [0,1,0,1,0,0|0,0,2]=4 299 B8R1.7 O=C(O)C1=CNC=N1 CS19657 [0,1,0,1,0,0|1,0,1]=4 300 B8R1.7 O=C(O)C1=CNN=C1 CS19027 [0,1,0,1,0,0|1,0,1]=4 301 B8R1.7 O=C(O)C1=CNN=N1 CS20475 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.7 O=C(O)C1=COC=C1 CS14540 [0,1,0,1,0,0|0,0,2]=4 303 B8R1.7 O=C(O)C1=COC=N1 MC441322 [0,1,0,1,0,0|1,0,1]=4 304 B8R1.7 O=C(O)C1=CON=C1 MC428244 [0,1,0,1,0,0|1,0,1]=4 305 B8R1.7 O=C(O)C1=CSC=C1 CS22727 [0,1,0,1,0,0|0,0,2]=4 306 B8R1.7 O=C(O)C1=CSC=N1 CS10126 [0,1,0,1,0,0|1,0,1]=4 307 B8R1.7 O=C(O)C1=CSN=C1 CS22713 [0,1,0,1,0,0|1,0,1]=4 308 B8R1.7 O=C(O)C1=NC=CN1 CS19852 [0,1,0,1,0,0|1,0,1]=4 309 B8R1.7 O=C(O)C1=NC=CO1 MC106568 [0,1,0,1,0,0|1,0,1]=4 310 B8R1.7 O=C(O)C1=NC=CS1 MC425486 [0,1,0,1,0,0|1,0,1]=4 311 B8R1.7 O=C(O)C1=NNC=C1 CS18779 [0,1,0,1,0,0|1,0,1]=4 312 B8R1.7 O=C(O)C1=NOC=C1 CS18235 [0,1,0,1,0,0|1,0,1]=4 313 B8R1.7 O=C(O)C1=NON=C1 CS20479 [0,1,0,1,0,0|2,0,0]=4 314 B8R1.7 O=C(O)C1=NSC=C1 MC113170 [0,1,0,1,0,0|1,0,1]=4 315 B8R1.7 O=C(O)C1C=CCN1 MC436934 [0,1,0,1,0,0|0,0,2]=4 316 B8R1.7 O=C(O)C1C=CCN1 MC436935 [0,1,0,1,0,0|0,0,2]=4 317 B8R1.7 O=C(O)C1CCCN1 CS18287 [0,1,0,1,0,0|0,0,2]=4 318 B8R1.7 O=C(O)C1CCCN1 CS18742 [0,1,0,1,0,0|0,0,2]=4 319 B8R1.7 O=C(O)C1CCCN1 CS22249 [0,1,0,1,0,0|0,0,2]=4 320 B8R1.7 O=C(O)C1CCCO1 CS16192 [0,1,0,1,0,0|0,0,2]=4 321 B8R1.7 O=C(O)C1CCCO1 CS18232 [0,1,0,1,0,0|0,0,2]=4 322 B8R1.7 O=C(O)C1CCCO1 MC20393 [0,1,0,1,0,0|0,0,2]=4 323 B8R1.7 O=C(O)C1CCNC1 CS18444 [0,1,0,1,0,0|0,0,2]=4 324 B8R1.7 O=C(O)C1CCNC1 CS19637 [0,1,0,1,0,0|0,0,2]=4 325 B8R1.7 O=C(O)C1CCOC1 CS19475 [0,1,0,1,0,0|0,0,2]=4 326 B8R1.7 O=C(O)C1CCOC1 MC444586 [0,1,0,1,0,0|0,0,2]=4 327 B8R1.7 O=C(O)C1CSCN1 CS15627 [0,1,0,1,0,0|1,0,1]=4 328 B8R1.7 O=C(O)C1CSCN1 MC20446 [0,1,0,1,0,0|1,0,1]=4 329 B8R1.7 O=C(O)C1NCCS1 CS16514 [0,1,0,1,0,0|1,0,1]=4 330 B8R1.7 OB(O)C1=CCCC1 CS11186 [0,1,0,1,0,0|1,0,1]=4 331 B8R1.23 C=C1CC(C(=O)O)C1 MC444295 [0,1,0,1,0,0|0,0,2]=4 332 B8R1.23 CC1CC(C(=O)O)C1 CS15188 [0,1,0,1,0,0|0,0,2]=4 333 B8R1.23 CC1CC(C(=O)O)C1 MC101958 [0,1,0,1,0,0|0,0,2]=4 334 B8R1.23 CC1CC(C(=O)O)C1 MC101959 [0,1,0,1,0,0|0,0,2]=4 335 B8R1.23 CN1CC(C(=O)O)C1 MC444119 [0,1,0,1,0,0|0,0,2]=4 336 B8R1.23 NC1CC(C(=O)O)C1 CS15871 [0,1,0,1,0,0|0,0,2]=4 337 B8R1.23 NC1CC(C(=O)O)C1 CS18457 [0,1,0,1,0,0|0,0,2]=4 338 B8R1.23 NC1CC(C(=O)O)C1 MC100079 [0,1,0,1,0,0|0,0,2]=4 339 B8R1.23 NC1CC(C(=O)O)C1 MC10550 [0,1,0,1,0,0|0,0,2]=4 340 B8R1.23 NC1CC(C(=O)O)C1 MC444597 [0,1,0,1,0,0|0,0,2]=4 341 B8R1.23 O=C(O)C1CC(Cl)C1 MC444263 [0,1,0,1,0,0|0,0,2]=4 342 B8R1.23 O=C(O)C1CC(F)C1 MC121085 [0,1,0,1,0,0|0,0,2]=4 343 B8R1.23 O=C(O)C1CC(O)C1 CS13147 [0,1,0,1,0,0|0,0,2]=4 344 B8R1.23 O=C(O)C1CC(O)C1 MC102155 [0,1,0,1,0,0|0,0,2]=4 345 B8R1.23 O=C(O)C1CC(O)C1 MC104924 [0,1,0,1,0,0|0,0,2]=4 346 B8R1.23 O=C1CC(C(=O)O)C1 CS18894 [0,1,0,1,0,0|1,0,1]=4 347 B8R1.23 O=C1CC(C(=O)O)N1 MC103900 [0,1,0,1,0,0|1,0,1]=4 348 B8R1.30 CC1(C(=O)O)CC1F MC102835 [0,1,0,1,0,0|0,0,2]=4 349 B8R1.30 CC1(C(=O)O)CC1F MC102836 [0,1,0,1,0,0|0,0,2]=4 350 B8R1.54 O=C(O)C(=O)C1CC1 CS15905 [0,1,0,1,0,0|1,0,1]=4 351 B8R1.78 CC1(C(=O)O)CCC1 MC21173 [0,1,0,1,0,0|0,0,2]=4 352 B8R1.78 CC1(C(=O)O)COC1 MC444297 [0,1,0,1,0,0|0,0,2]=4 353 B8R1.78 NC1(C(=O)O)CCC1 CS20591 [0,1,0,1,0,0|0,0,2]=4 354 B8R1.11 CC1=C(CBr)ON=C1 MC111382 [0,1,0,1,0,0|2,0,0]=4 355 B8R1.25 O=C1C(=O)C(O)=C1O MC10192 [0,1,0,1,0,0|2,0,0]=4 356 B8R1.50 CC1=C(C)C(N)=NN1 CS22497 [0,1,0,1,0,0|2,0,0]=4 357 B8R1.50 CC1=C(C)C(N)=NO1 CS13675 [0,1,0,1,0,0|1,0,0]=3 358 B8R1.50 CC1=C(O)C(=O)CC1 CS16508 [0,1,0,1,0,0|0,0,1]=3 359 B8R1.50 CC1=CNC(C)=C1C CS16478 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.50 CC1=NOC(C)=C1I CS17867 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.50 CC1=NOC(C)=C1N MC425384 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.50 CC1C(=O)CCC1=O CS21655 [0,1,0,1,0,0|1,0,1]=4 363 B8R1.63 O=C(O)C1(CF)CC1 MC116220 [0,1,0,1,0,0|0,0,2]=4 364 B8R1.77 CC1(C)CC1C(=O)O CS19841 [0,1,0,1,0,0|0,0,2]=4 365 B8R2.66 O=C(O)C12CC1C2 MC104145 [0,0,0,2,0,0|0,0,2]=4 366 B8R0.9 COC(=O)CCC(=O)O CS11694 [0,0,0,0,0,2|2,0,0]=4