0 B8R0.23 C=C(C)CC(N)C(=O)O MC436932 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.23 CC(=O)NC(C)C(=O)O MC436012 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.23 CC(=O)NC(C)C(=O)O MC436013 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.23 CC(=O)NC(C)C(=O)O MC436014 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.23 CC(=O)NC(C)C(N)=O MC436017 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.23 CC(C)CC(Br)C(=O)O CS14792 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.23 CC(C)CC(N)C(=O)O CS18600 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.23 CC(C)CC(N)C(=O)O CS18604 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.23 CC(C)CC(N)C(=O)O CS22248 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.23 CC(C)CC(N)C(N)=O MC437832 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.23 CC(C)CC(N)C(N)=O MC437833 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.23 CC(C)CC(N)C(N)=O MC437834 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.23 CC(C)CC(N)C(N)=O MC437835 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.23 CC(C)CC(N)C(N)=O MC437836 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.23 CC(C)CC(O)C(=O)O MC426019 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.23 CC(C)CC(O)C(=O)O MC437768 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.23 CC(C)CC(O)C(=O)O MC446675 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.23 CC(NC(=N)N)C(=O)O MC435604 [0,0,0,0,0,0|3,0,0]=3 18 B8R0.23 CC(NC(N)=O)C(=O)O MC436835 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.23 NC(=O)C(N)CC(=O)O MC436247 [0,0,0,0,0,0|2,0,0]=2 20 B8R0.23 NC(=O)C(N)CC(=O)O MC436248 [0,0,0,0,0,0|2,0,0]=2 21 B8R0.23 NC(=O)CC(N)C(=O)O CS19152 [0,0,0,0,0,0|0,0,0]=0 22 B8R0.23 NC(=O)CC(N)C(=O)O MC436231 [0,0,0,0,0,0|0,0,0]=0 23 B8R0.23 NC(=O)CC(N)C(N)=O MC436234 [0,0,0,0,0,0|1,0,0]=1 24 B8R0.23 NC(CC(=O)O)C(=O)O CS18065 [0,0,0,0,0,0|1,0,0]=1 25 B8R0.23 NC(CC(=O)O)C(=O)O MC436244 [0,0,0,0,0,0|1,0,0]=1 26 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MC439204 [0,0,0,0,0,0|1,0,1]=2 27 B8R0.23 O=C(O)CC(O)C(=O)O CS11286 [0,0,0,0,0,0|2,0,0]=2 28 B8R0.23 O=C(O)CC(O)C(=O)O MC20429 [0,0,0,0,0,0|2,0,0]=2 29 B7R0.5 C#CCC(N)C(=O)O CS13900 [1,0,0,0,0,0|1,0,1]=3 30 B7R0.5 C#CCC(N)C(=O)O MC21037 [1,0,0,0,0,0|1,0,1]=3 31 B7R0.5 C#CCC(N)C(=O)O MC438112 [1,0,0,0,0,0|1,0,1]=3 32 B7R0.5 C=CCC(N)C(=O)O MC439179 [1,0,0,0,0,0|1,0,0]=2 33 B7R0.5 CCCC(N)C(=O)O CS10518 [1,0,0,0,0,0|1,0,1]=3 34 B7R0.5 CCCC(N)C(=O)O CS17028 [1,0,0,0,0,0|1,0,1]=3 35 B7R0.5 CCCC(N)C(=O)O MC439125 [1,0,0,0,0,0|1,0,1]=3 36 B7R0.5 CCCC(N)C(N)=O MC438024 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.5 COCC(N)C(=O)O CS12183 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.5 COCC(N)C(=O)O CS16755 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.5 COCC(N)C(=O)O CS20335 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.5 CSCC(N)C(=O)O MC439293 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [1,0,0,0,0,0|2,0,0]=3 42 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.5 N#CCC(N)C(=O)O MC436869 [1,0,0,0,0,0|0,0,2]=3 44 B7R0.5 NC(CCO)C(=O)O CS13886 [1,0,0,0,0,0|0,0,2]=3 45 B7R0.5 NC(CCO)C(=O)O CS16701 [1,0,0,0,0,0|0,0,2]=3 46 B7R0.5 NC(CCO)C(=O)O CS22620 [1,0,0,0,0,0|0,0,2]=3 47 B7R0.5 NCCC(N)C(=O)O CS13874 [1,0,0,0,0,0|0,0,1]=2 48 B7R0.5 NCCC(N)C(=O)O CS15080 [1,0,0,0,0,0|0,0,1]=2 49 B7R0.5 NCCC(N)C(=O)O MC436921 [1,0,0,0,0,0|0,0,1]=2 50 B7R0.5 NCCC(N)C(=O)O MC439091 [1,0,0,0,0,0|0,0,1]=2 51 B7R0.5 NCCC(N)C(=O)O MC439321 [1,0,0,0,0,0|0,0,1]=2 52 B7R0.5 NCCC(O)C(=O)O CS15496 [1,0,0,0,0,0|1,0,1]=3 53 B7R0.5 NCCC(O)C(=O)O CS21759 [1,0,0,0,0,0|1,0,1]=3 54 B7R0.6 C=C(C)CCC(=O)O CS16527 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.6 CC(=O)CCC(=O)O CS18688 [1,0,0,0,0,0|1,0,0]=2 56 B7R0.6 CC(=O)NCC(=O)O CS19131 [1,0,0,0,0,0|2,0,0]=3 57 B7R0.6 CC(N)CCC(=O)O MC435302 [1,0,0,0,0,0|1,0,1]=3 58 B7R0.6 CN(C)CCC(=O)O CS12169 [1,0,0,0,0,0|3,0,0]=4 59 B7R0.6 O=C(O)C#CC(=O)O MC20681 [1,0,0,0,0,0|1,0,2]=4 60 B7R0.6 O=C(O)CC[N+](=O)[O-] MC442448 [1,0,0,0,0,0|2,0,0]=3 61 B7R0.6 O=C([O-])CCC(=O)[O-] MC34018 [1,0,0,0,0,0|1,0,1]=3 62 B9R0.11 CC(C)(CC(=O)O)C(=O)O CS19959 [0,1,0,0,0,0|2,0,0]=3 63 B9R0.11 CC(C)CC(C)(N)C(=O)O MC437916 [0,1,0,0,0,0|2,0,1]=4 64 B9R0.11 CC(C)CC(C)(N)C(=O)O MC437918 [0,1,0,0,0,0|2,0,1]=4 65 B9R0.11 CC(C)CC(C)(N)C(=O)O MC437919 [0,1,0,0,0,0|2,0,1]=4 66 B9R0.23 COC(=O)C(=O)CC(C)=O MC446700 [0,1,0,0,0,0|2,0,1]=4 67 B9R0.23 COC(=O)C(C)NC(C)=O MC436018 [0,1,0,0,0,0|3,0,0]=4 68 B9R0.23 COC(=O)C(C)NC(C)=O MC436019 [0,1,0,0,0,0|3,0,0]=4 69 B9R0.23 COC(=O)C(N)CC(=O)O MC436253 [0,1,0,0,0,0|1,0,0]=2 70 B9R0.23 COC(=O)C(N)CC(=O)O MC436254 [0,1,0,0,0,0|1,0,0]=2 71 B9R0.23 COC(=O)C(N)CC(=O)O MC436255 [0,1,0,0,0,0|1,0,0]=2 72 B9R0.23 COC(=O)C(N)CC(=O)O MC436271 [0,1,0,0,0,0|1,0,0]=2 73 B9R0.23 COC(=O)C(N)CC(C)C CS22260 [0,1,0,0,0,0|2,0,1]=4 74 B9R0.23 COC(=O)C(N)CC(C)C MC437840 [0,1,0,0,0,0|2,0,1]=4 75 B9R0.23 COC(=O)C(N)CC(C)C MC437841 [0,1,0,0,0,0|2,0,1]=4 76 B9R0.23 COC(=O)C(N)CC(N)=O MC436238 [0,1,0,0,0,0|0,0,0]=1 77 B9R0.39 CC(=O)NC(CS)C(=O)O CS19200 [0,1,0,0,0,0|3,0,0]=4 78 B9R0.39 CCC(NC(C)=O)C(=O)O MC428063 [0,1,0,0,0,0|3,0,0]=4 79 B9R0.39 CCC(NC(C)=O)C(=O)O MC439247 [0,1,0,0,0,0|3,0,0]=4 80 B9R0.39 CNC(CC(=O)O)C(=O)O MC437899 [0,1,0,0,0,0|1,0,0]=2 81 B9R0.39 CNC(CC(=O)O)C(=O)O MC437900 [0,1,0,0,0,0|1,0,0]=2 82 B9R0.39 CNC(CC(=O)O)C(=O)O MC446678 [0,1,0,0,0,0|1,0,0]=2 83 B9R0.39 CNC(CC(C)C)C(=O)O MC435478 [0,1,0,0,0,0|2,0,1]=4 84 B9R0.39 CNC(CC(C)C)C(=O)O MC437917 [0,1,0,0,0,0|2,0,1]=4 85 B9R0.39 CNC(CC(C)C)C(=O)O MC437920 [0,1,0,0,0,0|2,0,1]=4 86 B9R0.39 CNC(CC(N)=O)C(=O)O MC435534 [0,1,0,0,0,0|0,0,0]=1 87 B9R0.42 COC(=O)CC(=O)C(=O)O MC442592 [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|1,0,0]=2 89 B9R0.42 COC(=O)CC(N)C(=O)O CS22944 [0,1,0,0,0,0|1,0,0]=2 90 B9R0.42 COC(=O)CC(N)C(=O)O MC436270 [0,1,0,0,0,0|1,0,0]=2 91 B9R0.57 CC(C)(C)CC(N)C(=O)O MC100406 [0,1,0,0,0,0|2,0,1]=4 92 B9R0.57 CC(C)(C)CC(N)C(=O)O MC436788 [0,1,0,0,0,0|2,0,1]=4 93 B9R0.57 CC(C)(C)CC(N)C(=O)O MC436789 [0,1,0,0,0,0|2,0,1]=4 94 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MC428071 [0,1,0,0,0,0|2,0,0]=3 95 B9R0.79 CC(C(=O)O)C(N)C(=O)O MC20536 [0,1,0,0,0,0|1,0,0]=2 96 B9R0.79 CC(C)C(O)C(N)C(=O)O MC116178 [0,1,0,0,0,0|2,0,1]=4 97 B9R0.79 O=C(O)C(O)C(O)C(=O)O CS11193 [0,1,0,0,0,0|2,0,0]=3 98 B9R0.79 O=C(O)C(O)C(O)C(=O)O CS19386 [0,1,0,0,0,0|2,0,0]=3 99 B9R0.79 O=C(O)C(O)C(O)C(=O)O MC21114 [0,1,0,0,0,0|2,0,0]=3 100 B9R0.79 O=C(O)C(O)C(O)C(=O)O MC426007 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.35 CC1CNC(C(=O)O)C1 MC100332 [0,0,0,1,0,0|2,0,1]=4 102 B9R1.35 NC1CCC(C(=O)O)C1 CS14934 [0,0,0,1,0,0|2,0,1]=4 103 B9R1.35 NC1CCC(C(=O)O)C1 CS16161 [0,0,0,1,0,0|2,0,1]=4 104 B9R1.35 NC1CCC(C(=O)O)C1 CS17903 [0,0,0,1,0,0|2,0,1]=4 105 B9R1.35 NC1CCC(C(=O)O)C1 MC105619 [0,0,0,1,0,0|2,0,1]=4 106 B9R1.35 O=C(O)C1CC(Br)=NO1 MC103251 [0,0,0,1,0,0|2,0,1]=4 107 B9R1.35 O=C(O)C1CC(F)CN1 MC104337 [0,0,0,1,0,0|2,0,1]=4 108 B9R1.35 O=C(O)C1CC(F)CN1 MC113882 [0,0,0,1,0,0|2,0,1]=4 109 B9R1.35 O=C(O)C1CC(F)CN1 MC437016 [0,0,0,1,0,0|2,0,1]=4 110 B9R1.35 O=C(O)C1CC(F)CN1 MC437017 [0,0,0,1,0,0|2,0,1]=4 111 B9R1.35 O=C(O)C1CC(F)CN1 MC444013 [0,0,0,1,0,0|2,0,1]=4 112 B9R1.35 O=C(O)C1CC(O)CN1 CS12039 [0,0,0,1,0,0|1,0,2]=4 113 B9R1.35 O=C(O)C1CC(O)CN1 CS18304 [0,0,0,1,0,0|1,0,2]=4 114 B9R1.35 O=C(O)C1CC(O)CN1 CS19994 [0,0,0,1,0,0|1,0,2]=4 115 B9R1.35 O=C(O)C1CC(O)CN1 CS22793 [0,0,0,1,0,0|1,0,2]=4 116 B9R1.35 O=C(O)C1CC(O)CN1 MC31144 [0,0,0,1,0,0|1,0,2]=4 117 B9R1.35 O=C(O)C1CC(O)CN1 MC437781 [0,0,0,1,0,0|1,0,2]=4 118 B9R1.35 O=C(O)C1CC(O)CN1 MC437782 [0,0,0,1,0,0|1,0,2]=4 119 B9R1.35 O=C(O)C1CC(S)CN1 MC112474 [0,0,0,1,0,0|1,1,1]=4 120 B9R1.35 O=C1CCC(C(=O)O)C1 CS19439 [0,0,0,1,0,0|2,0,0]=3 121 B9R1.35 O=C1CCC(C(=O)O)C1 MC105133 [0,0,0,1,0,0|2,0,0]=3 122 B9R1.35 O=C1CCC(C(=O)O)C1 MC105627 [0,0,0,1,0,0|2,0,0]=3 123 B9R1.35 O=C1CCC(C(=O)O)N1 CS22212 [0,0,0,1,0,0|3,0,0]=4 124 B9R1.35 O=C1CCC(C(=O)O)N1 MC438135 [0,0,0,1,0,0|3,0,0]=4 125 B9R1.35 O=C1CCC(C(=O)O)S1 MC103888 [0,0,0,1,0,0|3,0,0]=4 126 B9R1.35 O=C1NC(C(=O)O)CS1 MC438059 [0,0,0,1,0,0|3,0,0]=4 127 B9R1.69 CN1CC(=O)NCC1=O MC105654 [0,0,0,1,0,0|3,0,0]=4 128 B9R1.112 NC(CC1CC1)C(=O)O CS18682 [0,0,0,1,0,0|2,0,1]=4 129 B9R1.152 C=C1CC(C)(C(=O)O)C1 MC105172 [0,0,0,1,0,0|3,0,0]=4 130 B9R1.152 CC1(C(=O)O)CC(N)C1 MC103378 [0,0,0,1,0,0|2,0,1]=4 131 B9R1.152 CC1(C(=O)O)CC(N)C1 MC104860 [0,0,0,1,0,0|2,0,1]=4 132 B9R1.152 NC1(C(=O)O)CC(F)C1 MC104153 [0,0,0,1,0,0|2,0,1]=4 133 B9R1.152 NC1(C(=O)O)CC(F)C1 MC104155 [0,0,0,1,0,0|2,0,1]=4 134 B9R1.152 NC1(C(=O)O)CC(F)C1 MC104156 [0,0,0,1,0,0|2,0,1]=4 135 B9R1.152 NC1(C(=O)O)CC(O)C1 MC110551 [0,0,0,1,0,0|1,0,2]=4 136 B9R1.161 O=C(O)C1CC1C(=O)O MC33398 [0,0,0,1,0,0|2,0,0]=3 137 B9R1.164 O=C(O)C1CS(=O)(=O)C1 MC425158 [0,0,0,1,0,0|3,0,0]=4 138 B7R0.16 CC(C)C(N)C(=O)O CS19285 [0,0,0,0,1,0|2,0,1]=4 139 B7R0.16 CC(C)C(N)C(=O)O MC438291 [0,0,0,0,1,0|2,0,1]=4 140 B7R0.16 CC(C)C(N)C(=O)O MC438292 [0,0,0,0,1,0|2,0,1]=4 141 B7R0.16 CC(C)C(N)C(N)=O CS11445 [0,0,0,0,1,0|2,0,1]=4 142 B7R0.16 CC(C)C(N)C(N)=O MC428367 [0,0,0,0,1,0|2,0,1]=4 143 B7R0.16 CC(C)C(N)C(N)=O MC435294 [0,0,0,0,1,0|2,0,1]=4 144 B7R0.16 CC(O)C(N)C(=O)O CS16722 [0,0,0,0,1,0|1,0,2]=4 145 B7R0.16 CC(O)C(N)C(=O)O CS22619 [0,0,0,0,1,0|1,0,2]=4 146 B7R0.16 CC(O)C(N)C(=O)O MC438198 [0,0,0,0,1,0|1,0,2]=4 147 B7R0.16 CC(O)C(N)C(=O)O MC438199 [0,0,0,0,1,0|1,0,2]=4 148 B7R0.16 CC(O)C(N)C(=O)O MC438200 [0,0,0,0,1,0|1,0,2]=4 149 B7R0.16 CC(O)C(N)C(N)=O MC438202 [0,0,0,0,1,0|1,0,1]=3 150 B7R0.16 NC(=O)C(N)C(N)=O CS14640 [0,0,0,0,1,0|1,0,0]=2 151 B9R0.7 C=C(C)CCC(N)C(=O)O MC435324 [0,0,0,0,0,1|2,0,0]=3 152 B9R0.7 C=C(C)CCC(N)C(=O)O MC435325 [0,0,0,0,0,1|2,0,0]=3 153 B9R0.7 CC(=O)OCC(N)C(=O)O MC428251 [0,0,0,0,0,1|1,0,0]=2 154 B9R0.7 CC(=O)OCC(N)C(=O)O MC438163 [0,0,0,0,0,1|1,0,0]=2 155 B9R0.7 CC(C)CCC(N)C(=O)O CS10576 [0,0,0,0,0,1|2,0,1]=4 156 B9R0.7 CS(=O)CCC(N)C(=O)O MC437958 [0,0,0,0,0,1|2,0,0]=3 157 B9R0.7 NC(=O)C(N)CCC(=O)O MC437667 [0,0,0,0,0,1|2,0,0]=3 158 B9R0.7 NC(=O)C(N)CCC(=O)O MC437668 [0,0,0,0,0,1|2,0,0]=3 159 B9R0.7 NC(=O)CCC(N)C(=O)O MC437648 [0,0,0,0,0,1|0,0,0]=1 160 B9R0.7 NC(=O)CCC(N)C(=O)O MC437649 [0,0,0,0,0,1|0,0,0]=1 161 B9R0.7 NC(=O)CCC(N)C(N)=O MC437652 [0,0,0,0,0,1|1,0,0]=2 162 B9R0.7 NC(=O)CCC(N)C(N)=O MC437653 [0,0,0,0,0,1|1,0,0]=2 163 B9R0.7 NC(=O)NCC(N)C(=O)O MC436167 [0,0,0,0,0,1|0,0,0]=1 164 B9R0.7 NC(=O)SCC(N)C(=O)O MC436904 [0,0,0,0,0,1|0,0,0]=1 165 B9R0.7 NC(CCC(=O)O)B(O)O MC442664 [0,0,0,0,0,1|2,0,1]=4 166 B9R0.7 NC(CCC(=O)O)B(O)O MC442665 [0,0,0,0,0,1|2,0,1]=4 167 B9R0.7 NC(CCC(=O)O)C(=O)O CS14946 [0,0,0,0,0,1|1,0,0]=2 168 B9R0.7 NC(CCC(=O)O)C(=O)O CS15295 [0,0,0,0,0,1|1,0,0]=2 169 B9R0.7 NC(CCC(=O)O)C(=O)O MC437662 [0,0,0,0,0,1|1,0,0]=2 170 B9R0.7 NC(CCC(=O)O)C(=O)O MC437663 [0,0,0,0,0,1|1,0,0]=2 171 B9R0.7 O=C(O)CCC(=O)C(=O)O CS14149 [0,0,0,0,0,1|2,0,1]=4 172 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MC113891 [0,0,0,0,0,1|2,0,1]=4 173 B9R0.53 CC(C)CC(N)CC(=O)O CS19014 [0,0,0,0,0,1|2,0,1]=4 174 B9R0.53 CC(C)CC(N)CC(=O)O MC439109 [0,0,0,0,0,1|2,0,1]=4 175 B9R0.53 NC(CC(=O)O)CC(=O)O MC439301 [0,0,0,0,0,1|1,0,0]=2 176 B6R0.2 CC(N)CC(=O)O CS19028 [2,0,0,0,0,0|1,0,1]=4 177 B6R0.2 CC(N)CC(=O)O CS20346 [2,0,0,0,0,0|1,0,1]=4 178 B6R0.2 CC(N)CC(=O)O MC439098 [2,0,0,0,0,0|1,0,1]=4 179 B6R0.2 CC(O)CC(=O)O MC426020 [2,0,0,0,0,0|2,0,0]=4 180 B6R0.2 CC(O)CC(=O)O MC426021 [2,0,0,0,0,0|2,0,0]=4 181 B6R0.2 CC(O)CC(=O)[O-] CS20253 [2,0,0,0,0,0|2,0,0]=4 182 B6R0.2 NC(=O)CC(N)=O CS11565 [2,0,0,0,0,0|0,0,1]=3 183 B6R0.2 NC(=O)C[N+](=O)[O-] MC442348 [2,0,0,0,0,0|2,0,0]=4 184 B6R0.2 NC(=O)NC(N)=O CS11485 [2,0,0,0,0,0|1,0,1]=4 185 B6R0.2 NC([SeH])CC(=O)O MC435590 [2,0,0,0,0,0|1,1,0]=4 186 B6R0.2 NC([SeH])CC(=O)O MC435591 [2,0,0,0,0,0|1,1,0]=4 187 B6R0.4 C#CCCC(=O)O MC428029 [2,0,0,0,0,0|1,0,1]=4 188 B6R0.4 C#CCCC(N)=O MC106194 [2,0,0,0,0,0|1,0,1]=4 189 B6R0.4 C=CCCC(=O)O CS15216 [2,0,0,0,0,0|1,0,0]=3 190 B6R0.4 N#CCCC(=O)O CS22262 [2,0,0,0,0,0|0,0,2]=4 191 B6R0.4 NCCCC(=O)O CS14998 [2,0,0,0,0,0|0,0,1]=3 192 B6R0.4 NCCCC(N)=O MC112262 [2,0,0,0,0,0|1,0,1]=4 193 B6R0.4 O=C(O)CCCBr CS14053 [2,0,0,0,0,0|1,0,1]=4 194 B6R0.3 C=CC(N)C(=O)O MC21080 [2,0,0,0,0,0|0,0,1]=3 195 B6R0.3 CC(CN)C(=O)O MC105846 [2,0,0,0,0,0|1,0,0]=3 196 B6R0.3 CC(CN)C(=O)O MC105847 [2,0,0,0,0,0|1,0,0]=3 197 B6R0.3 CCC(Br)C(=O)O MC426015 [2,0,0,0,0,0|1,0,1]=4 198 B6R0.3 CCC(Cl)C(=O)O MC426016 [2,0,0,0,0,0|1,0,1]=4 199 B6R0.3 CCC(N)C(=O)O CS13661 [2,0,0,0,0,0|0,0,1]=3 200 B6R0.3 CCC(N)C(=O)O CS14054 [2,0,0,0,0,0|0,0,1]=3 201 B6R0.3 CCC(N)C(=O)O CS14084 [2,0,0,0,0,0|0,0,1]=3 202 B6R0.3 CCC(N)C(N)=O CS15891 [2,0,0,0,0,0|1,0,1]=4 203 B6R0.3 CCC(N)C(N)=O MC436006 [2,0,0,0,0,0|1,0,1]=4 204 B6R0.3 NC(=O)C(N)CO MC438160 [2,0,0,0,0,0|1,0,1]=4 205 B6R0.3 NC(CCl)C(=O)O MC436849 [2,0,0,0,0,0|1,0,0]=3 206 B6R0.3 NC(CCl)C(=O)O MC436850 [2,0,0,0,0,0|1,0,0]=3 207 B6R0.3 NC(CCl)C(=O)O MC436851 [2,0,0,0,0,0|1,0,0]=3 208 B6R0.3 NC(CCl)C(=O)O MC436852 [2,0,0,0,0,0|1,0,0]=3 209 B6R0.3 NC(CF)C(=O)O MC437009 [2,0,0,0,0,0|1,0,0]=3 210 B6R0.3 NC(CO)C(=O)O CS14731 [2,0,0,0,0,0|0,0,1]=3 211 B6R0.3 NC(CO)C(=O)O CS18949 [2,0,0,0,0,0|0,0,1]=3 212 B6R0.3 NC(CO)C(=O)O CS19144 [2,0,0,0,0,0|0,0,1]=3 213 B6R0.3 NC(CS)C(=O)O CS19113 [2,0,0,0,0,0|0,1,0]=3 214 B6R0.3 NC(CS)C(=O)O CS19417 [2,0,0,0,0,0|0,1,0]=3 215 B6R0.3 NC(CS)C(=O)O CS19655 [2,0,0,0,0,0|0,1,0]=3 216 B6R0.3 NC(CS)C(=O)O MC428046 [2,0,0,0,0,0|0,1,0]=3 217 B6R0.3 NC(CS)C(=O)O MC436887 [2,0,0,0,0,0|0,1,0]=3 218 B6R0.3 NC(CS)C(=O)O MC436888 [2,0,0,0,0,0|0,1,0]=3 219 B6R0.3 NC(CS)C(=O)O MC439001 [2,0,0,0,0,0|0,1,0]=3 220 B6R0.3 NC(C[SeH])C(=O)O MC435423 [2,0,0,0,0,0|0,1,0]=3 221 B6R0.3 NCC(N)C(=O)O CS14756 [2,0,0,0,0,0|0,0,0]=2 222 B6R0.3 NCC(N)C(=O)O CS19624 [2,0,0,0,0,0|0,0,0]=2 223 B6R0.3 NCC(N)C(=O)O CS19672 [2,0,0,0,0,0|0,0,0]=2 224 B6R0.3 NCC(O)C(=O)O CS20294 [2,0,0,0,0,0|1,0,0]=3 225 B6R0.3 NCC(O)C(=O)O MC437816 [2,0,0,0,0,0|1,0,0]=3 226 B6R0.3 O=C(O)C(Br)CBr CS15215 [2,0,0,0,0,0|2,0,0]=4 227 B6R0.3 O=C(O)C(O)CCl MC10790 [2,0,0,0,0,0|2,0,0]=4 228 B8R0.3 C#CCC(N)C(=O)OC MC438113 [1,1,0,0,0,0|1,0,1]=4 229 B8R0.3 CCCC(N)C(=O)OC MC438026 [1,1,0,0,0,0|1,0,1]=4 230 B8R0.3 COC(=O)C(C)NC=O MC437638 [1,1,0,0,0,0|2,0,0]=4 231 B8R0.8 CCCCC(N)C(=O)O MC428079 [1,1,0,0,0,0|1,0,1]=4 232 B8R0.8 CCCCC(N)C(=O)O MC428113 [1,1,0,0,0,0|1,0,1]=4 233 B8R0.8 CCCCC(N)C(=O)O MC428121 [1,1,0,0,0,0|1,0,1]=4 234 B8R0.8 CSCCC(N)C(=O)O CS18644 [1,1,0,0,0,0|0,1,1]=4 235 B8R0.8 CSCCC(N)C(=O)O MC428038 [1,1,0,0,0,0|0,1,1]=4 236 B8R0.8 CSCCC(N)C(=O)O MC428332 [1,1,0,0,0,0|0,1,1]=4 237 B8R0.8 C[Se]CCC(N)C(=O)O MC435432 [1,1,0,0,0,0|0,1,1]=4 238 B8R0.8 C[Se]CCC(N)C(=O)O MC435562 [1,1,0,0,0,0|0,1,1]=4 239 B8R0.8 NCCCC(N)C(=O)O CS22279 [1,1,0,0,0,0|0,0,1]=3 240 B8R0.8 NCCCC(N)C(=O)O MC438045 [1,1,0,0,0,0|0,0,1]=3 241 B8R0.8 NCCCC(N)C(=O)O MC439200 [1,1,0,0,0,0|0,0,1]=3 242 B8R0.8 NOCCC(N)C(=O)O MC100566 [1,1,0,0,0,0|0,0,1]=3 243 B8R0.8 NOCCC(N)C(=O)O MC114097 [1,1,0,0,0,0|0,0,1]=3 244 B8R0.12 C=CCC(C)(C)C(=O)O MC20650 [1,1,0,0,0,0|2,0,0]=4 245 B8R0.12 CC(C)(CCN)C(=O)O MC442790 [1,1,0,0,0,0|1,0,1]=4 246 B8R0.15 CCCC(NC)C(=O)O MC435490 [1,1,0,0,0,0|1,0,1]=4 247 B8R0.15 CCCC(NC)C(=O)O MC437925 [1,1,0,0,0,0|1,0,1]=4 248 B8R0.9 CNC(=O)CNC(C)=O MC436060 [1,1,0,0,0,0|2,0,0]=4 249 B8R0.9 COC(=O)CCC(=O)O CS11694 [1,1,0,0,0,0|1,0,0]=3 250 B8R0.9 COC(=O)CCS(=O)[O-] CS11954 [1,1,0,0,0,0|2,0,0]=4 251 B8R0.9 NCC(=O)CCC(=O)O CS10222 [1,1,0,0,0,0|0,0,0]=2 252 B8R0.9 NCC(=O)CCC(=O)O MC34214 [1,1,0,0,0,0|0,0,0]=2 253 B8R0.9 O=C(O)CNC(=O)CCl MC436845 [1,1,0,0,0,0|2,0,0]=4 254 B8R0.29 NS(=O)(=O)CCC(=O)O CS14468 [1,1,0,0,0,0|1,0,0]=3 255 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MC435228 [0,1,0,0,0,1|1,0,0]=3 256 B10R0.43 O=C(O)CCC(F)(F)C(=O)O CS16935 [0,1,0,0,0,1|2,0,0]=4 257 B10R0.57 COC(=O)C(N)CCC(=O)O MC437674 [0,1,0,0,0,1|1,0,0]=3 258 B10R0.57 COC(=O)C(N)CCC(=O)O MC437675 [0,1,0,0,0,1|1,0,0]=3 259 B10R0.57 COC(=O)C(N)CCC(N)=O MC437656 [0,1,0,0,0,1|0,0,0]=2 260 B10R0.82 COC(=O)CCC(N)C(=O)O CS22254 [0,1,0,0,0,1|1,0,0]=3 261 B10R0.82 COC(=O)CCC(N)C(=O)O MC437693 [0,1,0,0,0,1|1,0,0]=3 262 B10R0.82 COC(=O)CCC(N)C(N)=O MC437694 [0,1,0,0,0,1|2,0,0]=4 263 B10R0.82 NCC(O)CCC(N)C(=O)O MC437772 [0,1,0,0,0,1|0,0,2]=4 264 B10R0.84 CNC(CCC(=O)O)C(=O)O MC437906 [0,1,0,0,0,1|1,0,0]=3 265 B10R0.84 CNC(CCC(=O)O)C(=O)O MC437907 [0,1,0,0,0,1|1,0,0]=3 266 B10R0.84 CNC(CCC(N)=O)C(=O)O MC435539 [0,1,0,0,0,1|0,0,0]=2 267 B10R0.84 CNC(CCC(N)=O)C(=O)O MC435540 [0,1,0,0,0,1|0,0,0]=2 268 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O MC437959 [0,1,0,0,0,1|2,0,0]=4 269 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O MC437960 [0,1,0,0,0,1|2,0,0]=4 270 B10R0.92 NC(CCP(=O)(O)O)C(=O)O MC112611 [0,1,0,0,0,1|2,0,0]=4 271 B10R0.92 NC(COP(=O)(O)O)C(=O)O MC438172 [0,1,0,0,0,1|2,0,0]=4 272 B10R0.92 NC(COP(=O)(O)O)C(=O)O MC438173 [0,1,0,0,0,1|2,0,0]=4 273 B10R0.92 NC(COS(=O)(=O)O)C(=O)O MC438174 [0,1,0,0,0,1|2,0,0]=4 274 B10R0.92 NC(COS(=O)(=O)O)C(=O)O MC438175 [0,1,0,0,0,1|2,0,0]=4 275 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O MC437974 [0,1,0,0,0,1|1,0,0]=3 276 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MC114098 [0,1,0,0,0,1|1,0,0]=3 277 B10R0.93 NC(CC(O)C(=O)O)C(=O)O MC437765 [0,1,0,0,0,1|1,0,0]=3 278 B10R0.93 NC(CC(O)C(=O)O)C(=O)O MC437766 [0,1,0,0,0,1|1,0,0]=3 279 B10R0.44 COC(=O)CC(C)CC(=O)O CS18924 [0,1,0,0,0,1|2,0,0]=4 280 B10R0.165 CC(C)(CC(=O)O)CC(=O)O CS19755 [0,1,0,0,0,1|2,0,0]=4 281 B10R0.47 COC(=O)CC(C)(C)C(=O)O MC443007 [0,2,0,0,0,0|2,0,0]=4 282 B10R0.141 COC(=O)C(C)(C)CC(=O)O MC441039 [0,2,0,0,0,0|2,0,0]=4 283 B10R0.46 COC(=O)C(C)NC(=O)CN MC435039 [0,2,0,0,0,0|2,0,0]=4 284 B10R0.46 COC(=O)CC(N)C(=O)OC MC436272 [0,2,0,0,0,0|1,0,0]=3 285 B10R0.46 COC(=O)CC(N)C(=O)OC MC436273 [0,2,0,0,0,0|1,0,0]=3 286 B10R0.46 COC(=O)CC(N)C(=O)OC MC436274 [0,2,0,0,0,0|1,0,0]=3 287 B10R0.46 COC(=O)CC(O)C(=O)OC CS19201 [0,2,0,0,0,0|2,0,0]=4 288 B10R0.23 CCCC(CC(C)=O)C(=O)O MC106868 [0,2,0,0,0,0|2,0,0]=4 289 B10R0.53 CCC(NC(=O)CN)C(=O)O MC435034 [0,2,0,0,0,0|2,0,0]=4 290 B8R1.4 NC1CCNC(=O)C1 CS15459 [1,0,0,1,0,0|1,0,1]=4 291 B8R1.4 NC1CCNC(=O)C1 MC444313 [1,0,0,1,0,0|1,0,1]=4 292 B8R1.18 CC1CC(=O)OC1=O MC440511 [1,0,0,1,0,0|2,0,0]=4 293 B8R1.7 O=C(O)C1C=CCN1 MC436934 [1,0,0,1,0,0|1,0,1]=4 294 B8R1.7 O=C(O)C1C=CCN1 MC436935 [1,0,0,1,0,0|1,0,1]=4 295 B8R1.7 O=C(O)C1CCCN1 CS18287 [1,0,0,1,0,0|1,0,1]=4 296 B8R1.7 O=C(O)C1CCCN1 CS18742 [1,0,0,1,0,0|1,0,1]=4 297 B8R1.7 O=C(O)C1CCCN1 CS22249 [1,0,0,1,0,0|1,0,1]=4 298 B8R1.7 O=C(O)C1CCNC1 CS18444 [1,0,0,1,0,0|1,0,1]=4 299 B8R1.7 O=C(O)C1CCNC1 CS19637 [1,0,0,1,0,0|1,0,1]=4 300 B8R1.7 O=C(O)C1CSCN1 CS15627 [1,0,0,1,0,0|2,0,0]=4 301 B8R1.7 O=C(O)C1CSCN1 MC20446 [1,0,0,1,0,0|2,0,0]=4 302 B8R1.23 C=C1CC(C(=O)O)C1 MC444295 [1,0,0,1,0,0|2,0,0]=4 303 B8R1.23 NC1CC(C(=O)O)C1 CS15871 [1,0,0,1,0,0|1,0,1]=4 304 B8R1.23 NC1CC(C(=O)O)C1 CS18457 [1,0,0,1,0,0|1,0,1]=4 305 B8R1.23 NC1CC(C(=O)O)C1 MC100079 [1,0,0,1,0,0|1,0,1]=4 306 B8R1.23 NC1CC(C(=O)O)C1 MC10550 [1,0,0,1,0,0|1,0,1]=4 307 B8R1.23 NC1CC(C(=O)O)C1 MC444597 [1,0,0,1,0,0|1,0,1]=4 308 B8R1.23 O=C1CC(C(=O)O)C1 CS18894 [1,0,0,1,0,0|1,0,0]=3 309 B8R1.23 O=C1CC(C(=O)O)N1 MC103900 [1,0,0,1,0,0|0,0,0]=2 310 B8R1.78 NC1(C(=O)O)CCC1 CS20591 [1,0,0,1,0,0|1,0,1]=4 311 B8R1.78 NC1(C(=O)O)CNC1 MC113165 [1,0,0,1,0,0|2,0,0]=4 312 B8R1.78 NC1(C(=O)O)COC1 MC444235 [1,0,0,1,0,0|2,0,0]=4 313 B8R1.78 NC1(C(=O)O)CSC1 MC100257 [1,0,0,1,0,0|2,0,0]=4 314 B8R1.3 O=C1CCC(=O)CC1 CS19236 [1,0,0,1,0,0|2,0,0]=4 315 B8R1.3 O=C1CCC(=O)NC1 CS21155 [1,0,0,1,0,0|1,0,0]=3 316 B10R1.13 O=C1CCC(C(=O)O)CC1 MC425116 [0,0,0,1,0,1|2,0,0]=4 317 B10R1.13 O=C1CCC(C(=O)O)CN1 MC444434 [0,0,0,1,0,1|1,0,0]=3 318 B10R1.13 O=C1CNC(C(=O)O)CN1 CS17718 [0,0,0,1,0,1|1,0,0]=3 319 B10R1.349 O=C(O)C1CC(C(=O)O)C1 MC115967 [0,0,0,1,0,1|2,0,0]=4 320 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 CS19500 [0,0,0,1,0,1|2,0,0]=4 321 B10R1.14 COC(=O)C1CCC(=O)C1 MC104918 [0,1,0,1,0,0|2,0,0]=4 322 B10R1.14 COC(=O)C1CCC(=O)C1 MC105581 [0,1,0,1,0,0|2,0,0]=4 323 B10R1.14 COC(=O)C1CNC(=O)C1 CS12232 [0,1,0,1,0,0|1,0,0]=3 324 B10R1.424 COC(=O)C1(C)CC(=O)C1 MC444540 [0,1,0,1,0,0|2,0,0]=4 325 B10R1.113 O=C1CCNC(C(=O)O)C1 MC113049 [0,1,0,1,0,0|1,0,0]=3 326 B10R1.113 O=C1CCNC(C(=O)O)C1 MC445805 [0,1,0,1,0,0|1,0,0]=3 327 B10R1.113 O=C1CCNC(C(=O)O)C1 MC445809 [0,1,0,1,0,0|1,0,0]=3 328 B10R1.361 O=C(O)C1CCC1C(=O)O MC10189 [0,1,0,1,0,0|2,0,0]=4 329 B8R0.28 NC(=O)NCCC(=O)O MC436834 [1,0,0,0,0,1|0,0,0]=2 330 B8R0.28 O=C(O)CCCC(=O)O MC20876 [1,0,0,0,0,1|1,0,0]=3 331 B8R0.28 O=C(O)COCC(O)=S MC445127 [1,0,0,0,0,1|1,0,1]=4 332 B10R0.96 NC(=O)CCC(N)CC(=O)O MC439303 [0,0,0,0,0,2|0,0,0]=2 333 B10R0.96 NC(CCC(=O)O)CC(=O)O MC439102 [0,0,0,0,0,2|1,0,0]=3 334 B10R0.98 N=C(N)NCCC(N)C(=O)O MC114322 [0,0,0,0,0,2|1,0,0]=3 335 B10R0.98 NC(CCCC(=O)O)C(=O)O MC436001 [0,0,0,0,0,2|1,0,0]=3 336 B10R0.98 NC(CCCC(=O)O)C(=O)O MC436002 [0,0,0,0,0,2|1,0,0]=3 337 B10R0.98 NC(CCCC(=O)O)C(=O)O MC436003 [0,0,0,0,0,2|1,0,0]=3