0 B8R0.23 C=C(C)CC(N)C(=O)O MC436932 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.23 CC(=O)NC(C)C(=O)O MC436012 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.23 CC(=O)NC(C)C(=O)O MC436013 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.23 CC(=O)NC(C)C(=O)O MC436014 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.23 CC(C)CC(Br)C(=O)O CS14792 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.23 CC(C)CC(N)B(O)O MC442652 [0,0,0,0,0,0|1,0,1]=2 6 B8R0.23 CC(C)CC(N)B(O)O MC442682 [0,0,0,0,0,0|1,0,1]=2 7 B8R0.23 CC(C)CC(N)B(O)O MC442688 [0,0,0,0,0,0|1,0,1]=2 8 B8R0.23 CC(C)CC(N)B(O)O MC442689 [0,0,0,0,0,0|1,0,1]=2 9 B8R0.23 CC(C)CC(N)C(=O)O CS18600 [0,0,0,0,0,0|0,0,0]=0 10 B8R0.23 CC(C)CC(N)C(=O)O CS18604 [0,0,0,0,0,0|0,0,0]=0 11 B8R0.23 CC(C)CC(N)C(=O)O CS22248 [0,0,0,0,0,0|0,0,0]=0 12 B8R0.23 CC(C)CC(N)C(N)=O MC437832 [0,0,0,0,0,0|1,0,0]=1 13 B8R0.23 CC(C)CC(N)C(N)=O MC437833 [0,0,0,0,0,0|1,0,0]=1 14 B8R0.23 CC(C)CC(N)C(N)=O MC437834 [0,0,0,0,0,0|1,0,0]=1 15 B8R0.23 CC(C)CC(N)C(N)=O MC437835 [0,0,0,0,0,0|1,0,0]=1 16 B8R0.23 CC(C)CC(N)C(N)=O MC437836 [0,0,0,0,0,0|1,0,0]=1 17 B8R0.23 CC(C)CC(O)C(=O)O MC426019 [0,0,0,0,0,0|1,0,0]=1 18 B8R0.23 CC(C)CC(O)C(=O)O MC437768 [0,0,0,0,0,0|1,0,0]=1 19 B8R0.23 CC(C)CC(O)C(=O)O MC446675 [0,0,0,0,0,0|1,0,0]=1 20 B8R0.23 NC(=O)C(N)CC(=O)O MC436247 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.23 NC(=O)C(N)CC(=O)O MC436248 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.23 NC(=O)CC(N)C(=O)O CS19152 [0,0,0,0,0,0|2,0,1]=3 23 B8R0.23 NC(=O)CC(N)C(=O)O MC436231 [0,0,0,0,0,0|2,0,1]=3 24 B8R0.23 NC(=O)CC(N)C(N)=O MC436234 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.23 NC(CC(=O)O)C(=O)O CS18065 [0,0,0,0,0,0|2,0,1]=3 26 B8R0.23 NC(CC(=O)O)C(=O)O MC436244 [0,0,0,0,0,0|2,0,1]=3 27 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MC439204 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.23 O=C(O)CC(O)C(=O)O CS11286 [0,0,0,0,0,0|3,0,1]=4 29 B8R0.23 O=C(O)CC(O)C(=O)O MC20429 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.2 CC(C)CC(N)CO CS14853 [1,0,0,0,0,0|0,0,1]=2 31 B7R0.2 CC(C)CC(N)CO CS19307 [1,0,0,0,0,0|0,0,1]=2 32 B7R0.2 CN(C)CC(O)CO CS15349 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.5 C#CCC(N)C(=O)O CS13900 [1,0,0,0,0,0|0,0,2]=3 34 B7R0.5 C#CCC(N)C(=O)O MC21037 [1,0,0,0,0,0|0,0,2]=3 35 B7R0.5 C#CCC(N)C(=O)O MC438112 [1,0,0,0,0,0|0,0,2]=3 36 B7R0.5 C=CCC(N)C(=O)O MC439179 [1,0,0,0,0,0|0,0,2]=3 37 B7R0.5 CCCC(N)C(=O)O CS10518 [1,0,0,0,0,0|0,0,0]=1 38 B7R0.5 CCCC(N)C(=O)O CS17028 [1,0,0,0,0,0|0,0,0]=1 39 B7R0.5 CCCC(N)C(=O)O MC439125 [1,0,0,0,0,0|0,0,0]=1 40 B7R0.5 CCCC(N)C(N)=O MC438024 [1,0,0,0,0,0|1,0,0]=2 41 B7R0.5 COCC(N)C(=O)O CS12183 [1,0,0,0,0,0|1,0,0]=2 42 B7R0.5 COCC(N)C(=O)O CS16755 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.5 COCC(N)C(=O)O CS20335 [1,0,0,0,0,0|1,0,0]=2 44 B7R0.5 CSCC(N)C(=O)O MC439293 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [1,0,0,0,0,0|1,0,0]=2 46 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [1,0,0,0,0,0|1,0,0]=2 47 B7R0.5 N#CCC(N)C(=O)O MC436869 [1,0,0,0,0,0|1,0,1]=3 48 B7R0.5 NC(CCO)C(=O)O CS13886 [1,0,0,0,0,0|1,0,0]=2 49 B7R0.5 NC(CCO)C(=O)O CS16701 [1,0,0,0,0,0|1,0,0]=2 50 B7R0.5 NC(CCO)C(=O)O CS22620 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.5 NCCC(N)C(=O)O CS13874 [1,0,0,0,0,0|1,0,0]=2 52 B7R0.5 NCCC(N)C(=O)O CS15080 [1,0,0,0,0,0|1,0,0]=2 53 B7R0.5 NCCC(N)C(=O)O MC436921 [1,0,0,0,0,0|1,0,0]=2 54 B7R0.5 NCCC(N)C(=O)O MC439091 [1,0,0,0,0,0|1,0,0]=2 55 B7R0.5 NCCC(N)C(=O)O MC439321 [1,0,0,0,0,0|1,0,0]=2 56 B7R0.5 NCCC(O)C(=O)O CS15496 [1,0,0,0,0,0|2,0,0]=3 57 B7R0.5 NCCC(O)C(=O)O CS21759 [1,0,0,0,0,0|2,0,0]=3 58 B7R0.6 C=C(C)CCC(=O)O CS16527 [1,0,0,0,0,0|0,0,2]=3 59 B7R0.6 CC(=O)CCC(=O)O CS18688 [1,0,0,0,0,0|1,0,1]=3 60 B7R0.6 CC(=O)NCC(=O)O CS19131 [1,0,0,0,0,0|2,0,1]=4 61 B7R0.6 CC(C)CCC(=O)Cl MC20895 [1,0,0,0,0,0|1,0,0]=2 62 B7R0.6 CC(C)CCC(C)N MC446673 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.6 CC(C)CO[N+](=O)[O-] MC434046 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.6 CC(N)CCC(=O)O MC435302 [1,0,0,0,0,0|1,0,0]=2 65 B7R0.6 CN(C)CCC(=O)O CS12169 [1,0,0,0,0,0|1,0,0]=2 66 B7R0.6 O=C(O)CC[N+](=O)[O-] MC442448 [1,0,0,0,0,0|3,0,0]=4 67 B9R0.11 CC(C)CC(C)(N)C(=O)O MC437916 [0,1,0,0,0,0|0,0,0]=1 68 B9R0.11 CC(C)CC(C)(N)C(=O)O MC437918 [0,1,0,0,0,0|0,0,0]=1 69 B9R0.11 CC(C)CC(C)(N)C(=O)O MC437919 [0,1,0,0,0,0|0,0,0]=1 70 B9R0.23 CC(C)CC(N)C(=O)CCl MC437823 [0,1,0,0,0,0|1,0,0]=2 71 B9R0.23 CC(C)CC(N)\C(O)=N\O MC437831 [0,1,0,0,0,0|0,0,1]=2 72 B9R0.23 CCC(=O)C(C)CN(C)C CS12103 [0,1,0,0,0,0|3,0,0]=4 73 B9R0.23 COC(=O)C(N)CC(=O)O MC436253 [0,1,0,0,0,0|2,0,1]=4 74 B9R0.23 COC(=O)C(N)CC(=O)O MC436254 [0,1,0,0,0,0|2,0,1]=4 75 B9R0.23 COC(=O)C(N)CC(=O)O MC436255 [0,1,0,0,0,0|2,0,1]=4 76 B9R0.23 COC(=O)C(N)CC(=O)O MC436271 [0,1,0,0,0,0|2,0,1]=4 77 B9R0.23 COC(=O)C(N)CC(C)C CS22260 [0,1,0,0,0,0|0,0,0]=1 78 B9R0.23 COC(=O)C(N)CC(C)C MC437840 [0,1,0,0,0,0|0,0,0]=1 79 B9R0.23 COC(=O)C(N)CC(C)C MC437841 [0,1,0,0,0,0|0,0,0]=1 80 B9R0.23 COC(=O)C(N)CC(N)=O MC436238 [0,1,0,0,0,0|2,0,1]=4 81 B9R0.39 CNC(CC(=O)O)C(=O)O MC437899 [0,1,0,0,0,0|2,0,1]=4 82 B9R0.39 CNC(CC(=O)O)C(=O)O MC437900 [0,1,0,0,0,0|2,0,1]=4 83 B9R0.39 CNC(CC(=O)O)C(=O)O MC446678 [0,1,0,0,0,0|2,0,1]=4 84 B9R0.39 CNC(CC(C)C)C(=O)O MC435478 [0,1,0,0,0,0|0,0,0]=1 85 B9R0.39 CNC(CC(C)C)C(=O)O MC437917 [0,1,0,0,0,0|0,0,0]=1 86 B9R0.39 CNC(CC(C)C)C(=O)O MC437920 [0,1,0,0,0,0|0,0,0]=1 87 B9R0.39 CNC(CC(N)=O)C(=O)O MC435534 [0,1,0,0,0,0|2,0,1]=4 88 B9R0.42 COC(=O)CC(N)C(=O)O CS13817 [0,1,0,0,0,0|1,0,1]=3 89 B9R0.42 COC(=O)CC(N)C(=O)O CS22944 [0,1,0,0,0,0|1,0,1]=3 90 B9R0.42 COC(=O)CC(N)C(=O)O MC436270 [0,1,0,0,0,0|1,0,1]=3 91 B9R0.57 CC(C)(C)CC(N)C(=O)O MC100406 [0,1,0,0,0,0|0,0,0]=1 92 B9R0.57 CC(C)(C)CC(N)C(=O)O MC436788 [0,1,0,0,0,0|0,0,0]=1 93 B9R0.57 CC(C)(C)CC(N)C(=O)O MC436789 [0,1,0,0,0,0|0,0,0]=1 94 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MC428071 [0,1,0,0,0,0|3,0,0]=4 95 B9R0.79 CC(C(=O)O)C(N)C(=O)O MC20536 [0,1,0,0,0,0|2,0,1]=4 96 B9R0.79 CC(C)C(O)C(N)C(=O)O MC116178 [0,1,0,0,0,0|0,0,0]=1 97 B9R1.35 CC1CNC(C(=O)O)C1 MC100332 [0,0,0,1,0,0|0,0,0]=1 98 B9R1.35 CN1CCC(C(=O)O)C1 CS18297 [0,0,0,1,0,0|2,0,0]=3 99 B9R1.35 CN1CCC(C(=O)O)C1 MC103798 [0,0,0,1,0,0|2,0,0]=3 100 B9R1.35 CN1CCC(C(=O)O)C1 MC104573 [0,0,0,1,0,0|2,0,0]=3 101 B9R1.35 CN1CCC(C(=O)O)C1 MC444131 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.35 NC(=O)C1CC(F)CN1 MC114665 [0,0,0,1,0,0|2,0,0]=3 103 B9R1.35 NC1CCC(C(=O)O)C1 CS14934 [0,0,0,1,0,0|2,0,0]=3 104 B9R1.35 NC1CCC(C(=O)O)C1 CS16161 [0,0,0,1,0,0|2,0,0]=3 105 B9R1.35 NC1CCC(C(=O)O)C1 CS17903 [0,0,0,1,0,0|2,0,0]=3 106 B9R1.35 NC1CCC(C(=O)O)C1 MC105619 [0,0,0,1,0,0|2,0,0]=3 107 B9R1.35 O=C(O)C1CC(F)CN1 MC104337 [0,0,0,1,0,0|1,0,0]=2 108 B9R1.35 O=C(O)C1CC(F)CN1 MC113882 [0,0,0,1,0,0|1,0,0]=2 109 B9R1.35 O=C(O)C1CC(F)CN1 MC437016 [0,0,0,1,0,0|1,0,0]=2 110 B9R1.35 O=C(O)C1CC(F)CN1 MC437017 [0,0,0,1,0,0|1,0,0]=2 111 B9R1.35 O=C(O)C1CC(F)CN1 MC444013 [0,0,0,1,0,0|1,0,0]=2 112 B9R1.35 O=C(O)C1CC(O)CN1 CS12039 [0,0,0,1,0,0|1,0,0]=2 113 B9R1.35 O=C(O)C1CC(O)CN1 CS18304 [0,0,0,1,0,0|1,0,0]=2 114 B9R1.35 O=C(O)C1CC(O)CN1 CS19994 [0,0,0,1,0,0|1,0,0]=2 115 B9R1.35 O=C(O)C1CC(O)CN1 CS22793 [0,0,0,1,0,0|1,0,0]=2 116 B9R1.35 O=C(O)C1CC(O)CN1 MC31144 [0,0,0,1,0,0|1,0,0]=2 117 B9R1.35 O=C(O)C1CC(O)CN1 MC437781 [0,0,0,1,0,0|1,0,0]=2 118 B9R1.35 O=C(O)C1CC(O)CN1 MC437782 [0,0,0,1,0,0|1,0,0]=2 119 B9R1.35 O=C(O)C1CC(S)CN1 MC112474 [0,0,0,1,0,0|1,0,0]=2 120 B9R1.35 O=C1CCC(C(=O)O)C1 CS19439 [0,0,0,1,0,0|2,0,1]=4 121 B9R1.35 O=C1CCC(C(=O)O)C1 MC105133 [0,0,0,1,0,0|2,0,1]=4 122 B9R1.35 O=C1CCC(C(=O)O)C1 MC105627 [0,0,0,1,0,0|2,0,1]=4 123 B9R1.112 CC(NC1CC1)C(=O)O MC436876 [0,0,0,1,0,0|2,0,0]=3 124 B9R1.112 NC(CC1CC1)C(=O)O CS18682 [0,0,0,1,0,0|0,0,0]=1 125 B9R1.152 C=C1CC(C)(C(=O)O)C1 MC105172 [0,0,0,1,0,0|1,0,2]=4 126 B9R1.152 CC1(C(=O)O)CC(N)C1 MC103378 [0,0,0,1,0,0|2,0,0]=3 127 B9R1.152 CC1(C(=O)O)CC(N)C1 MC104860 [0,0,0,1,0,0|2,0,0]=3 128 B9R1.152 NC1(C(=O)O)CC(F)C1 MC104153 [0,0,0,1,0,0|1,0,0]=2 129 B9R1.152 NC1(C(=O)O)CC(F)C1 MC104155 [0,0,0,1,0,0|1,0,0]=2 130 B9R1.152 NC1(C(=O)O)CC(F)C1 MC104156 [0,0,0,1,0,0|1,0,0]=2 131 B9R1.152 NC1(C(=O)O)CC(O)C1 MC110551 [0,0,0,1,0,0|1,0,0]=2 132 B9R1.164 CC1(C)C=C(C(=O)O)C1 MC101960 [0,0,0,1,0,0|1,0,1]=3 133 B9R1.164 CC1(C)CC(C(=O)O)C1 MC444205 [0,0,0,1,0,0|1,0,0]=2 134 B9R1.164 CC1(F)CC(C(=O)O)C1 MC111625 [0,0,0,1,0,0|2,0,0]=3 135 B9R1.164 CC1(F)CC(C(=O)O)C1 MC116400 [0,0,0,1,0,0|2,0,0]=3 136 B9R1.164 CC1(O)CC(C(=O)O)C1 CS16009 [0,0,0,1,0,0|2,0,0]=3 137 B9R1.164 CC1(O)CC(C(=O)O)C1 MC103746 [0,0,0,1,0,0|2,0,0]=3 138 B9R1.164 O=C(O)C1CC(F)(F)C1 CS21901 [0,0,0,1,0,0|3,0,0]=4 139 B7R0.16 CC(C)C(=O)C(=O)[O-] CS22357 [0,0,0,0,1,0|1,0,2]=4 140 B7R0.16 CC(C)C(Br)C(=O)O MC431184 [0,0,0,0,1,0|1,0,0]=2 141 B7R0.16 CC(C)C(Cl)C(=O)O MC426014 [0,0,0,0,1,0|1,0,0]=2 142 B7R0.16 CC(C)C(F)C(=O)O MC429818 [0,0,0,0,1,0|1,0,0]=2 143 B7R0.16 CC(C)C(N)B(O)O MC442651 [0,0,0,0,1,0|1,0,1]=3 144 B7R0.16 CC(C)C(N)C(=O)O CS19285 [0,0,0,0,1,0|0,0,0]=1 145 B7R0.16 CC(C)C(N)C(=O)O MC438291 [0,0,0,0,1,0|0,0,0]=1 146 B7R0.16 CC(C)C(N)C(=O)O MC438292 [0,0,0,0,1,0|0,0,0]=1 147 B7R0.16 CC(C)C(N)C(C)C CS17730 [0,0,0,0,1,0|2,0,1]=4 148 B7R0.16 CC(C)C(N)C(N)=O CS11445 [0,0,0,0,1,0|1,0,0]=2 149 B7R0.16 CC(C)C(N)C(N)=O MC428367 [0,0,0,0,1,0|1,0,0]=2 150 B7R0.16 CC(C)C(N)C(N)=O MC435294 [0,0,0,0,1,0|1,0,0]=2 151 B7R0.16 CC(C)C(O)C(=O)O MC437769 [0,0,0,0,1,0|1,0,0]=2 152 B7R0.16 CC(C)C(O)C(=O)O MC437770 [0,0,0,0,1,0|1,0,0]=2 153 B7R0.16 CC(O)C(N)C(=O)O CS16722 [0,0,0,0,1,0|1,0,0]=2 154 B7R0.16 CC(O)C(N)C(=O)O CS22619 [0,0,0,0,1,0|1,0,0]=2 155 B7R0.16 CC(O)C(N)C(=O)O MC438198 [0,0,0,0,1,0|1,0,0]=2 156 B7R0.16 CC(O)C(N)C(=O)O MC438199 [0,0,0,0,1,0|1,0,0]=2 157 B7R0.16 CC(O)C(N)C(=O)O MC438200 [0,0,0,0,1,0|1,0,0]=2 158 B7R0.16 CC(O)C(N)C(N)=O MC438202 [0,0,0,0,1,0|2,0,0]=3 159 B7R0.16 CN(C)C(=O)C(=O)O CS11735 [0,0,0,0,1,0|2,0,1]=4 160 B9R0.7 C=C(C)CCC(N)C(=O)O MC435324 [0,0,0,0,0,1|0,0,2]=3 161 B9R0.7 C=C(C)CCC(N)C(=O)O MC435325 [0,0,0,0,0,1|0,0,2]=3 162 B9R0.7 CC(=O)OCC(N)C(=O)O MC428251 [0,0,0,0,0,1|1,0,1]=3 163 B9R0.7 CC(=O)OCC(N)C(=O)O MC438163 [0,0,0,0,0,1|1,0,1]=3 164 B9R0.7 CC(C)CCC(N)C(=O)O CS10576 [0,0,0,0,0,1|0,0,0]=1 165 B9R0.7 CS(=O)CCC(N)C(=O)O MC437958 [0,0,0,0,0,1|2,0,0]=3 166 B9R0.7 NC(=O)CCC(N)C(=O)O MC437648 [0,0,0,0,0,1|2,0,1]=4 167 B9R0.7 NC(=O)CCC(N)C(=O)O MC437649 [0,0,0,0,0,1|2,0,1]=4 168 B9R0.7 NC(=O)NCC(N)C(=O)O MC436167 [0,0,0,0,0,1|2,0,1]=4 169 B9R0.7 NC(=O)SCC(N)C(=O)O MC436904 [0,0,0,0,0,1|2,0,1]=4 170 B9R0.7 NC(CCC(=O)O)C(=O)O CS14946 [0,0,0,0,0,1|2,0,1]=4 171 B9R0.7 NC(CCC(=O)O)C(=O)O CS15295 [0,0,0,0,0,1|2,0,1]=4 172 B9R0.7 NC(CCC(=O)O)C(=O)O MC437662 [0,0,0,0,0,1|2,0,1]=4 173 B9R0.7 NC(CCC(=O)O)C(=O)O MC437663 [0,0,0,0,0,1|2,0,1]=4 174 B9R0.53 CC(C)CC(C)CC(=O)O MC112321 [0,0,0,0,0,1|1,0,0]=2 175 B9R0.53 CC(C)CC(N)CC(=O)O CS19014 [0,0,0,0,0,1|0,0,0]=1 176 B9R0.53 CC(C)CC(N)CC(=O)O MC439109 [0,0,0,0,0,1|0,0,0]=1 177 B9R0.53 NC(CC(=O)O)CC(=O)O MC439301 [0,0,0,0,0,1|2,0,1]=4 178 B6R0.1 CCCC(O)CO CS20495 [2,0,0,0,0,0|1,0,1]=4 179 B6R0.2 CC(C)CB(O)O CS22276 [2,0,0,0,0,0|2,0,0]=4 180 B6R0.4 C#CCCC(=O)O MC428029 [2,0,0,0,0,0|0,0,2]=4 181 B6R0.4 C=CCCC(=O)O CS15216 [2,0,0,0,0,0|0,0,2]=4 182 B6R0.4 CC(=O)CCCBr CS10305 [2,0,0,0,0,0|2,0,0]=4 183 B6R0.4 CC(=O)CCCCl CS10334 [2,0,0,0,0,0|2,0,0]=4 184 B6R0.4 CC(C)CCC=O MC428026 [2,0,0,0,0,0|0,0,0]=2 185 B6R0.4 CC(C)CCCO MC428025 [2,0,0,0,0,0|0,0,1]=3 186 B6R0.4 CCCCC(=O)Cl MC40508 [2,0,0,0,0,0|1,0,0]=3 187 B6R0.4 N#CCCC(=O)O CS22262 [2,0,0,0,0,0|1,0,1]=4 188 B6R0.4 NCCCC(=O)O CS14998 [2,0,0,0,0,0|1,0,0]=3 189 B6R0.4 NCCCC(N)=O MC112262 [2,0,0,0,0,0|2,0,0]=4 190 B6R0.4 O=C(Cl)CCCCl MC40450 [2,0,0,0,0,0|2,0,0]=4 191 B6R0.4 O=C(O)CCCBr CS14053 [2,0,0,0,0,0|1,0,0]=3 192 B6R0.3 C=CC(N)C(=O)O MC21080 [2,0,0,0,0,0|0,0,2]=4 193 B6R0.3 CC(CN)C(=O)O MC105846 [2,0,0,0,0,0|2,0,0]=4 194 B6R0.3 CC(CN)C(=O)O MC105847 [2,0,0,0,0,0|2,0,0]=4 195 B6R0.3 CCC(=O)C(=O)O CS21626 [2,0,0,0,0,0|1,0,1]=4 196 B6R0.3 CCC(Br)C(=O)O MC426015 [2,0,0,0,0,0|1,0,0]=3 197 B6R0.3 CCC(Cl)C(=O)O MC426016 [2,0,0,0,0,0|1,0,0]=3 198 B6R0.3 CCC(N)B(O)O MC442680 [2,0,0,0,0,0|1,0,1]=4 199 B6R0.3 CCC(N)B(O)O MC442681 [2,0,0,0,0,0|1,0,1]=4 200 B6R0.3 CCC(N)C(=O)O CS13661 [2,0,0,0,0,0|0,0,0]=2 201 B6R0.3 CCC(N)C(=O)O CS14054 [2,0,0,0,0,0|0,0,0]=2 202 B6R0.3 CCC(N)C(=O)O CS14084 [2,0,0,0,0,0|0,0,0]=2 203 B6R0.3 CCC(N)C(N)=O CS15891 [2,0,0,0,0,0|1,0,0]=3 204 B6R0.3 CCC(N)C(N)=O MC436006 [2,0,0,0,0,0|1,0,0]=3 205 B6R0.3 CNC(C)C(=O)O MC428068 [2,0,0,0,0,0|2,0,0]=4 206 B6R0.3 CNC(C)C(=O)O MC428076 [2,0,0,0,0,0|2,0,0]=4 207 B6R0.3 CNC(C)C(=O)O MC428084 [2,0,0,0,0,0|2,0,0]=4 208 B6R0.3 COC(C)C(=O)O CS14024 [2,0,0,0,0,0|2,0,0]=4 209 B6R0.3 COC(C)C(=O)O MC425243 [2,0,0,0,0,0|2,0,0]=4 210 B6R0.3 NC(=O)C(N)CO MC438160 [2,0,0,0,0,0|2,0,0]=4 211 B6R0.3 NC(CCl)C(=O)O MC436849 [2,0,0,0,0,0|1,0,0]=3 212 B6R0.3 NC(CCl)C(=O)O MC436850 [2,0,0,0,0,0|1,0,0]=3 213 B6R0.3 NC(CCl)C(=O)O MC436851 [2,0,0,0,0,0|1,0,0]=3 214 B6R0.3 NC(CCl)C(=O)O MC436852 [2,0,0,0,0,0|1,0,0]=3 215 B6R0.3 NC(CF)C(=O)O MC437009 [2,0,0,0,0,0|1,0,0]=3 216 B6R0.3 NC(CO)C(=O)O CS14731 [2,0,0,0,0,0|1,0,0]=3 217 B6R0.3 NC(CO)C(=O)O CS18949 [2,0,0,0,0,0|1,0,0]=3 218 B6R0.3 NC(CO)C(=O)O CS19144 [2,0,0,0,0,0|1,0,0]=3 219 B6R0.3 NC(CS)C(=O)O CS19113 [2,0,0,0,0,0|1,0,0]=3 220 B6R0.3 NC(CS)C(=O)O CS19417 [2,0,0,0,0,0|1,0,0]=3 221 B6R0.3 NC(CS)C(=O)O CS19655 [2,0,0,0,0,0|1,0,0]=3 222 B6R0.3 NC(CS)C(=O)O MC428046 [2,0,0,0,0,0|1,0,0]=3 223 B6R0.3 NC(CS)C(=O)O MC436887 [2,0,0,0,0,0|1,0,0]=3 224 B6R0.3 NC(CS)C(=O)O MC436888 [2,0,0,0,0,0|1,0,0]=3 225 B6R0.3 NC(CS)C(=O)O MC439001 [2,0,0,0,0,0|1,0,0]=3 226 B6R0.3 NC(C[SeH])C(=O)O MC435423 [2,0,0,0,0,0|1,0,0]=3 227 B6R0.3 NCC(N)C(=O)O CS14756 [2,0,0,0,0,0|1,0,0]=3 228 B6R0.3 NCC(N)C(=O)O CS19624 [2,0,0,0,0,0|1,0,0]=3 229 B6R0.3 NCC(N)C(=O)O CS19672 [2,0,0,0,0,0|1,0,0]=3 230 B6R0.3 NCC(O)C(=O)O CS20294 [2,0,0,0,0,0|2,0,0]=4 231 B6R0.3 NCC(O)C(=O)O MC437816 [2,0,0,0,0,0|2,0,0]=4 232 B6R0.3 O=C(O)C(Br)CBr CS15215 [2,0,0,0,0,0|2,0,0]=4 233 B6R0.3 O=C(O)C(O)CCl MC10790 [2,0,0,0,0,0|2,0,0]=4 234 B8R0.3 C#CCC(N)C(=O)OC MC438113 [1,1,0,0,0,0|0,0,2]=4 235 B8R0.3 CCCC(N)C(=O)OC MC438026 [1,1,0,0,0,0|0,0,0]=2 236 B8R0.3 COC(=O)C(Br)CCBr MC41887 [1,1,0,0,0,0|2,0,0]=4 237 B8R0.8 CCCCC(N)B(O)O MC442653 [1,1,0,0,0,0|1,0,1]=4 238 B8R0.8 CCCCC(N)C(=O)O MC428079 [1,1,0,0,0,0|0,0,0]=2 239 B8R0.8 CCCCC(N)C(=O)O MC428113 [1,1,0,0,0,0|0,0,0]=2 240 B8R0.8 CCCCC(N)C(=O)O MC428121 [1,1,0,0,0,0|0,0,0]=2 241 B8R0.8 CCCCC(N)C(N)=O MC438017 [1,1,0,0,0,0|1,0,0]=3 242 B8R0.8 CSCCC(N)C(=O)O CS18644 [1,1,0,0,0,0|0,0,0]=2 243 B8R0.8 CSCCC(N)C(=O)O MC428038 [1,1,0,0,0,0|0,0,0]=2 244 B8R0.8 CSCCC(N)C(=O)O MC428332 [1,1,0,0,0,0|0,0,0]=2 245 B8R0.8 CSCCC(N)C(N)=O MC437951 [1,1,0,0,0,0|1,0,0]=3 246 B8R0.8 CSCCC(N)C(N)=O MC439009 [1,1,0,0,0,0|1,0,0]=3 247 B8R0.8 C[Se]CCC(N)C(=O)O MC435432 [1,1,0,0,0,0|0,0,0]=2 248 B8R0.8 C[Se]CCC(N)C(=O)O MC435562 [1,1,0,0,0,0|0,0,0]=2 249 B8R0.8 NCCCC(N)C(=O)O CS22279 [1,1,0,0,0,0|0,0,0]=2 250 B8R0.8 NCCCC(N)C(=O)O MC438045 [1,1,0,0,0,0|0,0,0]=2 251 B8R0.8 NCCCC(N)C(=O)O MC439200 [1,1,0,0,0,0|0,0,0]=2 252 B8R0.8 NOCCC(N)C(=O)O MC100566 [1,1,0,0,0,0|1,0,0]=3 253 B8R0.8 NOCCC(N)C(=O)O MC114097 [1,1,0,0,0,0|1,0,0]=3 254 B8R0.12 CC(C)(CCN)C(=O)O MC442790 [1,1,0,0,0,0|2,0,0]=4 255 B8R0.12 COCC(F)(F)C(=O)O MC104134 [1,1,0,0,0,0|2,0,0]=4 256 B8R0.15 CCCC(NC)C(=O)O MC435490 [1,1,0,0,0,0|0,0,0]=2 257 B8R0.15 CCCC(NC)C(=O)O MC437925 [1,1,0,0,0,0|0,0,0]=2 258 B8R0.9 COC(=O)CCC(=O)O CS11694 [1,1,0,0,0,0|1,0,1]=4 259 B8R0.9 NCC(=O)CCC(=O)O CS10222 [1,1,0,0,0,0|1,0,1]=4 260 B8R0.9 NCC(=O)CCC(=O)O MC34214 [1,1,0,0,0,0|1,0,1]=4 261 B8R0.29 CC(C)(C)NCC(=O)O MC42032 [1,1,0,0,0,0|1,0,0]=3 262 B8R0.29 O=C(O)CCC(F)(F)F CS22479 [1,1,0,0,0,0|2,0,0]=4 263 B8R0.18 CNC(C(=O)O)C(C)C MC437989 [0,1,0,0,1,0|0,0,0]=2 264 B8R0.18 CNC(C(=O)O)C(C)C MC437990 [0,1,0,0,1,0|0,0,0]=2 265 B8R0.18 CNC(C(=O)O)C(C)O MC435508 [0,1,0,0,1,0|1,0,0]=3 266 B8R0.18 CNC(C(=O)O)C(C)O MC437968 [0,1,0,0,1,0|1,0,0]=3 267 B8R0.27 CC(C)(C)C(=O)C(=O)O MC418492 [0,1,0,0,1,0|1,0,1]=4 268 B8R0.27 CC(C)(C)C(N)C(=O)O CS18601 [0,1,0,0,1,0|0,0,0]=2 269 B8R0.27 CC(C)(C)C(N)C(=O)O CS18605 [0,1,0,0,1,0|0,0,0]=2 270 B8R0.27 CC(C)(C)C(N)C(=O)O CS18608 [0,1,0,0,1,0|0,0,0]=2 271 B8R0.27 CC(C)(F)C(N)C(=O)O MC429244 [0,1,0,0,1,0|0,0,0]=2 272 B8R0.27 CC(C)(S)C(N)C(=O)O MC438067 [0,1,0,0,1,0|0,0,0]=2 273 B8R0.27 NC(C(=O)O)C(F)(F)F MC426112 [0,1,0,0,1,0|2,0,0]=4 274 B8R0.27 NC(C(=O)O)C(F)(F)F MC429270 [0,1,0,0,1,0|2,0,0]=4 275 B8R0.37 CC(C)C(C)(N)C(=O)O MC437991 [0,1,0,0,1,0|0,0,0]=2 276 B8R0.37 CC(C)C(C)(N)C(=O)O MC437992 [0,1,0,0,1,0|0,0,0]=2 277 B8R0.37 CC(C)C(C)(N)C(=O)O MC437993 [0,1,0,0,1,0|0,0,0]=2 278 B8R0.37 CC(C)C(C)(N)C(N)=O CS14313 [0,1,0,0,1,0|1,0,0]=3 279 B8R0.37 CC(C)C(C)(O)C(=O)O MC100317 [0,1,0,0,1,0|1,0,0]=3 280 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MC435228 [0,1,0,0,0,1|1,0,1]=4 281 B10R0.82 COC(=O)CCC(N)C(=O)O CS22254 [0,1,0,0,0,1|1,0,1]=4 282 B10R0.82 COC(=O)CCC(N)C(=O)O MC437693 [0,1,0,0,0,1|1,0,1]=4 283 B10R0.82 NCC(O)CCC(N)C(=O)O MC437772 [0,1,0,0,0,1|1,0,0]=3 284 B10R0.92 CC(C)(C)OCC(N)C(=O)O CS11444 [0,1,0,0,0,1|0,0,0]=2 285 B10R0.92 CC(C)(C)OCC(N)C(=O)O MC427224 [0,1,0,0,0,1|0,0,0]=2 286 B10R0.92 CC(C)(C)SCC(N)C(=O)O MC436896 [0,1,0,0,0,1|0,0,0]=2 287 B10R0.92 CC(C)(C)SCC(N)C(=O)O MC436897 [0,1,0,0,0,1|0,0,0]=2 288 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O MC437959 [0,1,0,0,0,1|2,0,0]=4 289 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O MC437960 [0,1,0,0,0,1|2,0,0]=4 290 B10R0.92 NC(CCC(F)(F)F)C(=O)O MC107722 [0,1,0,0,0,1|2,0,0]=4 291 B10R0.70 CC(C)=CC(CN)CC(=O)O MC428275 [0,1,0,0,0,1|0,0,2]=4 292 B10R0.70 CC(C)CC(CN)CC(=O)O MC20754 [0,1,0,0,0,1|0,0,0]=2 293 B10R0.32 CCOC(=O)C(=O)CC(C)C CS15204 [0,2,0,0,0,0|1,0,1]=4 294 B10R0.32 CCOC(=O)C(N)CC(C)C CS14067 [0,2,0,0,0,0|0,0,0]=2 295 B10R0.32 CCOC(=O)C(N)CC(C)C MC439260 [0,2,0,0,0,0|0,0,0]=2 296 B10R0.46 COC(=O)CC(N)C(=O)OC MC436272 [0,2,0,0,0,0|1,0,1]=4 297 B10R0.46 COC(=O)CC(N)C(=O)OC MC436273 [0,2,0,0,0,0|1,0,1]=4 298 B10R0.46 COC(=O)CC(N)C(=O)OC MC436274 [0,2,0,0,0,0|1,0,1]=4 299 B10R0.54 CNC(CC(C)C)C(=O)OC MC435479 [0,2,0,0,0,0|0,0,0]=2 300 B8R1.1 OCC1CC(O)CN1 CS20184 [1,0,0,1,0,0|1,0,1]=4 301 B8R1.53 CC1(C)CC(CO)O1 MC115663 [1,0,0,1,0,0|1,0,1]=4 302 B8R1.62 NC1(CO)CC(F)C1 MC104684 [1,0,0,1,0,0|1,0,1]=4 303 B8R1.5 NC1CCCCC1O CS12403 [1,0,0,1,0,0|1,0,1]=4 304 B8R1.5 NC1CCCCC1O CS12547 [1,0,0,1,0,0|1,0,1]=4 305 B8R1.5 NC1CCCCC1O CS12548 [1,0,0,1,0,0|1,0,1]=4 306 B8R1.5 NC1CCCCC1O CS14928 [1,0,0,1,0,0|1,0,1]=4 307 B8R1.5 NC1CCCCC1O CS18590 [1,0,0,1,0,0|1,0,1]=4 308 B8R1.5 NC1CCCCC1O MC20710 [1,0,0,1,0,0|1,0,1]=4 309 B8R1.5 NC1CCCCC1O MC20824 [1,0,0,1,0,0|1,0,1]=4 310 B8R1.5 NC1CCCNC1=O MC106744 [1,0,0,1,0,0|1,0,0]=3 311 B8R1.5 O=C1NCCCC1Br CS14644 [1,0,0,1,0,0|2,0,0]=4 312 B8R1.5 O=C1NCCCC1O CS19689 [1,0,0,1,0,0|2,0,0]=4 313 B8R1.5 O=C1OCCCC1O CS16147 [1,0,0,1,0,0|1,0,0]=3 314 B8R1.7 CC(=O)C1CCCC1 CS20673 [1,0,0,1,0,0|2,0,0]=4 315 B8R1.7 CC(=O)C1CCCC1 MC445790 [1,0,0,1,0,0|2,0,0]=4 316 B8R1.7 NC(=O)C1CCCN1 CS22629 [1,0,0,1,0,0|1,0,0]=3 317 B8R1.7 NC(=O)C1CCCN1 MC438122 [1,0,0,1,0,0|1,0,0]=3 318 B8R1.7 NC(=O)C1CCCN1 MC438123 [1,0,0,1,0,0|1,0,0]=3 319 B8R1.7 NC(=O)C1CCCN1 MC438124 [1,0,0,1,0,0|1,0,0]=3 320 B8R1.7 NC(=O)C1CCCN1 MC438125 [1,0,0,1,0,0|1,0,0]=3 321 B8R1.7 O=C(O)C1C=CCN1 MC436934 [1,0,0,1,0,0|0,0,2]=4 322 B8R1.7 O=C(O)C1C=CCN1 MC436935 [1,0,0,1,0,0|0,0,2]=4 323 B8R1.7 O=C(O)C1CCCN1 CS18287 [1,0,0,1,0,0|0,0,0]=2 324 B8R1.7 O=C(O)C1CCCN1 CS18742 [1,0,0,1,0,0|0,0,0]=2 325 B8R1.7 O=C(O)C1CCCN1 CS22249 [1,0,0,1,0,0|0,0,0]=2 326 B8R1.7 O=C(O)C1CCCO1 CS16192 [1,0,0,1,0,0|1,0,0]=3 327 B8R1.7 O=C(O)C1CCCO1 CS18232 [1,0,0,1,0,0|1,0,0]=3 328 B8R1.7 O=C(O)C1CCCO1 MC20393 [1,0,0,1,0,0|1,0,0]=3 329 B8R1.7 O=C(O)C1CCNC1 CS18444 [1,0,0,1,0,0|2,0,0]=4 330 B8R1.7 O=C(O)C1CCNC1 CS19637 [1,0,0,1,0,0|2,0,0]=4 331 B8R1.7 O=C(O)C1CCOC1 CS19475 [1,0,0,1,0,0|2,0,0]=4 332 B8R1.7 O=C(O)C1CCOC1 MC444586 [1,0,0,1,0,0|2,0,0]=4 333 B8R1.7 O=C(O)C1CSCN1 CS15627 [1,0,0,1,0,0|1,0,0]=3 334 B8R1.7 O=C(O)C1CSCN1 MC20446 [1,0,0,1,0,0|1,0,0]=3 335 B8R1.7 O=C(O)C1NCCS1 CS16514 [1,0,0,1,0,0|1,0,0]=3 336 B8R1.7 O=C([O-])C1CSCN1 MC436714 [1,0,0,1,0,0|1,0,1]=4 337 B8R1.23 CC1CC(C(=O)O)C1 CS15188 [1,0,0,1,0,0|1,0,0]=3 338 B8R1.23 CC1CC(C(=O)O)C1 MC101958 [1,0,0,1,0,0|1,0,0]=3 339 B8R1.23 CC1CC(C(=O)O)C1 MC101959 [1,0,0,1,0,0|1,0,0]=3 340 B8R1.23 CN1CC(C(=O)O)C1 MC444119 [1,0,0,1,0,0|2,0,0]=4 341 B8R1.23 NC1CC(C(=O)O)C1 CS15871 [1,0,0,1,0,0|2,0,0]=4 342 B8R1.23 NC1CC(C(=O)O)C1 CS18457 [1,0,0,1,0,0|2,0,0]=4 343 B8R1.23 NC1CC(C(=O)O)C1 MC100079 [1,0,0,1,0,0|2,0,0]=4 344 B8R1.23 NC1CC(C(=O)O)C1 MC10550 [1,0,0,1,0,0|2,0,0]=4 345 B8R1.23 NC1CC(C(=O)O)C1 MC444597 [1,0,0,1,0,0|2,0,0]=4 346 B8R1.23 O=C(O)C1CC(Cl)C1 MC444263 [1,0,0,1,0,0|2,0,0]=4 347 B8R1.23 O=C(O)C1CC(F)C1 MC121085 [1,0,0,1,0,0|2,0,0]=4 348 B8R1.23 O=C(O)C1CC(O)C1 CS13147 [1,0,0,1,0,0|2,0,0]=4 349 B8R1.23 O=C(O)C1CC(O)C1 MC102155 [1,0,0,1,0,0|2,0,0]=4 350 B8R1.23 O=C(O)C1CC(O)C1 MC104924 [1,0,0,1,0,0|2,0,0]=4 351 B8R1.23 O=C1CC(C(=O)O)N1 MC103900 [1,0,0,1,0,0|1,0,1]=4 352 B8R1.30 CC1(C(=O)O)CC1F MC102835 [1,0,0,1,0,0|2,0,0]=4 353 B8R1.30 CC1(C(=O)O)CC1F MC102836 [1,0,0,1,0,0|2,0,0]=4 354 B8R1.54 O=C(O)C(=O)C1CC1 CS15905 [1,0,0,1,0,0|1,0,1]=4 355 B8R1.78 CC1(C(=O)O)CCC1 MC21173 [1,0,0,1,0,0|1,0,0]=3 356 B8R1.78 CC1(C(=O)O)COC1 MC444297 [1,0,0,1,0,0|2,0,0]=4 357 B8R1.78 NC(=O)C1(N)CCC1 MC106178 [1,0,0,1,0,0|1,0,0]=3 358 B8R1.78 NC1(C(=O)O)CCC1 CS20591 [1,0,0,1,0,0|0,0,0]=2 359 B8R1.78 NC1(C(=O)O)CNC1 MC113165 [1,0,0,1,0,0|1,0,0]=3 360 B8R1.78 NC1(C(=O)O)COC1 MC444235 [1,0,0,1,0,0|1,0,0]=3 361 B8R1.78 NC1(C(=O)O)CSC1 MC100257 [1,0,0,1,0,0|1,0,0]=3 362 B8R1.78 O=C(O)C1(F)CNC1 MC103706 [1,0,0,1,0,0|2,0,0]=4 363 B8R1.3 C=C1CCC(C)CC1 MC105701 [1,0,0,1,0,0|2,0,0]=4 364 B8R1.3 CN1CCC(=O)CC1 CS18410 [1,0,0,1,0,0|2,0,0]=4 365 B8R1.3 NC1CCC(=O)CC1 CS22583 [1,0,0,1,0,0|2,0,0]=4 366 B8R1.3 NC1CCC(=O)NC1 MC113024 [1,0,0,1,0,0|2,0,0]=4 367 B8R1.3 NC1CCC(=O)NC1 MC444382 [1,0,0,1,0,0|2,0,0]=4 368 B8R1.3 O=C1CCC(O)CC1 CS22889 [1,0,0,1,0,0|2,0,0]=4 369 B8R1.35 O=C(O)CCC1CC1 CS19562 [1,0,0,1,0,0|0,0,0]=2 370 B8R1.77 CC1(C)CC1C(=O)O CS19841 [1,0,0,1,0,0|0,0,0]=2 371 B8R1.77 CC1(C)CC1C(N)=O MC427500 [1,0,0,1,0,0|1,0,0]=3 372 B8R1.77 O=C(O)C1CC1(F)Cl MC425307 [1,0,0,1,0,0|2,0,0]=4 373 B8R1.77 O=C(O)C1CC1(F)F MC429774 [1,0,0,1,0,0|2,0,0]=4 374 B8R1.50 O=C1OCC(O)C1Br MC113108 [0,0,0,1,1,0|2,0,0]=4 375 B10R1.13 CC1CCC(C(N)=O)CN1 MC425228 [0,0,0,1,0,1|2,0,0]=4 376 B10R1.13 NC1CCC(C(=O)O)CC1 CS12037 [0,0,0,1,0,1|2,0,0]=4 377 B10R1.13 NC1CCC(C(=O)O)CC1 CS14216 [0,0,0,1,0,1|2,0,0]=4 378 B10R1.13 NC1CCC(C(=O)O)CC1 CS14217 [0,0,0,1,0,1|2,0,0]=4 379 B10R1.13 O=C(O)C1CCC(O)CC1 MC428316 [0,0,0,1,0,1|2,0,0]=4 380 B10R1.13 O=C(O)C1CCC(O)CN1 MC102531 [0,0,0,1,0,1|1,0,0]=3 381 B10R1.13 O=C(O)C1CCC(O)CN1 MC103741 [0,0,0,1,0,1|1,0,0]=3 382 B10R1.13 O=C(O)C1CCC(O)CN1 MC105262 [0,0,0,1,0,1|1,0,0]=3 383 B10R1.13 O=C1CNC(C(=O)O)CN1 CS17718 [0,0,0,1,0,1|1,0,1]=4 384 B10R1.359 CC1(C)CNC(C(=O)O)C1 MC110824 [0,0,0,1,0,1|1,0,0]=3 385 B10R1.560 CC1(C)CC(=O)C(C)(C)C1 MC104331 [0,1,0,1,0,0|2,0,0]=4 386 B10R1.566 CC1(C(=O)O)CC(F)(F)C1 MC102139 [0,1,0,1,0,0|2,0,0]=4 387 B10R1.566 NC1(C(=O)O)CC(F)(F)C1 MC100674 [0,1,0,1,0,0|1,0,0]=3 388 B10R1.14 COC(=O)C1CC(F)CN1 MC100237 [0,1,0,1,0,0|1,0,0]=3 389 B10R1.14 COC(=O)C1CC(O)CN1 CS11437 [0,1,0,1,0,0|1,0,0]=3 390 B10R1.14 COC(=O)C1CC(O)CN1 CS13094 [0,1,0,1,0,0|1,0,0]=3 391 B10R1.14 COC(=O)C1CC(O)CN1 CS18459 [0,1,0,1,0,0|1,0,0]=3 392 B10R1.14 COC(=O)C1CCC(N)C1 CS17586 [0,1,0,1,0,0|2,0,0]=4 393 B10R1.14 COC(=O)C1CCC(N)C1 MC105577 [0,1,0,1,0,0|2,0,0]=4 394 B10R1.14 COC(=O)C1CCC(N)C1 MC105578 [0,1,0,1,0,0|2,0,0]=4 395 B10R1.14 COC(=O)C1CCC(N)C1 MC105579 [0,1,0,1,0,0|2,0,0]=4 396 B10R1.14 COC(=O)C1CCC(N)C1 MC105580 [0,1,0,1,0,0|2,0,0]=4 397 B10R1.413 COC(=O)C1CC(C)(C)C1 MC444519 [0,1,0,1,0,0|1,0,0]=3 398 B10R1.424 COC(=O)C1(C)CC(O)C1 MC104901 [0,1,0,1,0,0|2,0,0]=4 399 B10R1.424 COC(=O)C1(C)CC(O)C1 MC104902 [0,1,0,1,0,0|2,0,0]=4 400 B10R1.113 CC1CCNC(C(=O)O)C1 CS13084 [0,1,0,1,0,0|0,0,0]=2 401 B10R1.113 NC1CCCC(C(=O)O)C1 CS14264 [0,1,0,1,0,0|2,0,0]=4 402 B10R1.113 NC1CCCC(C(=O)O)C1 CS17221 [0,1,0,1,0,0|2,0,0]=4 403 B10R1.113 NC1CCCC(C(=O)O)C1 CS17237 [0,1,0,1,0,0|2,0,0]=4 404 B10R1.113 NC1CCCC(C(=O)O)C1 CS19619 [0,1,0,1,0,0|2,0,0]=4 405 B10R1.113 NC1CCCC(C(=O)O)C1 MC105219 [0,1,0,1,0,0|2,0,0]=4 406 B10R1.113 O=C(O)C1CC(O)CCN1 MC445804 [0,1,0,1,0,0|1,0,0]=3 407 B10R1.113 O=C1CCNC(C(=O)O)C1 MC113049 [0,1,0,1,0,0|1,0,1]=4 408 B10R1.113 O=C1CCNC(C(=O)O)C1 MC445805 [0,1,0,1,0,0|1,0,1]=4 409 B10R1.113 O=C1CCNC(C(=O)O)C1 MC445809 [0,1,0,1,0,0|1,0,1]=4 410 B10R2.348 O=C(O)C12CC(CN1)C2 MC105067 [0,0,0,2,0,0|0,0,0]=2 411 B10R2.355 O=C(O)C1NCC2CC21 MC100068 [0,0,0,2,0,0|0,0,0]=2 412 B10R2.355 O=C(O)C1NCC2CC21 MC100069 [0,0,0,2,0,0|0,0,0]=2 413 B10R2.355 O=C(O)C1NCC2CC21 MC103380 [0,0,0,2,0,0|0,0,0]=2 414 B10R2.355 O=C(O)C1NCC2CC21 MC103381 [0,0,0,2,0,0|0,0,0]=2 415 B10R2.355 O=C(O)C1NCC2CC21 MC105643 [0,0,0,2,0,0|0,0,0]=2 416 B10R2.355 O=C(O)C1NCC2CC21 MC105644 [0,0,0,2,0,0|0,0,0]=2 417 B10R2.357 NC(=O)C1CC2CC2N1 CS17814 [0,0,0,2,0,0|1,0,0]=3 418 B10R2.357 NC(=O)C1CC2CC2N1 MC107659 [0,0,0,2,0,0|1,0,0]=3 419 B10R2.357 O=C(O)C1CC2CC2C1 MC103539 [0,0,0,2,0,0|1,0,0]=3 420 B10R2.357 O=C(O)C1CC2CC2N1 MC103441 [0,0,0,2,0,0|0,0,0]=2 421 B10R2.357 O=C(O)C1CC2CC2N1 MC105463 [0,0,0,2,0,0|0,0,0]=2 422 B10R2.636 NC12CC(C(=O)O)(C1)C2 MC105448 [0,0,0,2,0,0|2,0,0]=4 423 B8R0.28 CN(C)CCCC(=O)O CS18615 [1,0,0,0,0,1|1,0,0]=3 424 B8R0.28 CN(C)C\C=C\C(=O)O CS15971 [1,0,0,0,0,1|1,0,1]=4 425 B8R0.28 CN(C)C\C=C\C(=O)O CS16134 [1,0,0,0,0,1|1,0,1]=4 426 B8R0.28 CN(C)C\C=C\C(=O)O CS17703 [1,0,0,0,0,1|1,0,1]=4