0 B8R0.23 C=C(C)CC(N)C(=O)O MC436932 [0,0,0,0,0,0|4,0,0]=4 1 B8R0.23 CC(=O)NC(C)C(=O)O MC436012 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.23 CC(=O)NC(C)C(=O)O MC436013 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.23 CC(=O)NC(C)C(=O)O MC436014 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.23 CC(=O)NC(C)C(N)=O MC436017 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.23 CC(C)C(C)CC(=O)O MC112320 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.23 CC(NC(=N)N)C(=O)O MC435604 [0,0,0,0,0,0|4,0,0]=4 7 B8R0.23 CC(NC(N)=O)C(=O)O MC436835 [0,0,0,0,0,0|3,0,0]=3 8 B8R0.23 NC(=O)C(N)CC(=O)O MC436247 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.23 NC(=O)C(N)CC(=O)O MC436248 [0,0,0,0,0,0|4,0,0]=4 10 B8R0.23 NC(=O)CC(N)C(=O)O CS19152 [0,0,0,0,0,0|4,0,0]=4 11 B8R0.23 NC(=O)CC(N)C(=O)O MC436231 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.23 NC(=O)CC(N)C(N)=O MC436234 [0,0,0,0,0,0|4,0,0]=4 13 B8R0.23 NC(CC(=O)O)C(=O)O CS18065 [0,0,0,0,0,0|4,0,0]=4 14 B8R0.23 NC(CC(=O)O)C(=O)O MC436244 [0,0,0,0,0,0|4,0,0]=4 15 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MC439204 [0,0,0,0,0,0|4,0,0]=4 16 B8R0.23 O=C(O)CC(O)C(=O)O CS11286 [0,0,0,0,0,0|4,0,0]=4 17 B8R0.23 O=C(O)CC(O)C(=O)O MC20429 [0,0,0,0,0,0|4,0,0]=4 18 B7R0.2 CCC(=O)OC(C)=O CS16382 [1,0,0,0,0,0|1,0,2]=4 19 B7R0.6 C=C(C)CCC(=O)O CS16527 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.6 CC(=O)CCC(=O)O CS18688 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.6 CC(=O)NCC(=O)O CS19131 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.6 O=C([O-])CCC(=O)[O-] MC34018 [1,0,0,0,0,0|3,0,0]=4 23 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl CS21206 [0,1,0,0,0,0|1,0,0]=2 24 B9R0.11 CC(C)(CC(=O)O)C(=O)O CS19959 [0,1,0,0,0,0|3,0,0]=4 25 B9R0.23 C=C(NC(C)=O)C(=O)OC MC425406 [0,1,0,0,0,0|1,0,2]=4 26 B9R0.23 CCC(=O)C(C)CN(C)C CS12103 [0,1,0,0,0,0|3,0,0]=4 27 B9R0.23 CN(CC(=O)O)C(=O)CN MC439432 [0,1,0,0,0,0|3,0,0]=4 28 B9R0.23 CNC(=O)C(C)NC(C)=O MC436016 [0,1,0,0,0,0|1,0,0]=2 29 B9R0.23 COC(=O)C(=O)CC(C)=O MC446700 [0,1,0,0,0,0|2,0,1]=4 30 B9R0.23 COC(=O)C(C)NC(C)=O MC436018 [0,1,0,0,0,0|1,0,0]=2 31 B9R0.23 COC(=O)C(C)NC(C)=O MC436019 [0,1,0,0,0,0|1,0,0]=2 32 B9R0.23 COC(=O)C(N)CC(=O)O MC436253 [0,1,0,0,0,0|3,0,0]=4 33 B9R0.23 COC(=O)C(N)CC(=O)O MC436254 [0,1,0,0,0,0|3,0,0]=4 34 B9R0.23 COC(=O)C(N)CC(=O)O MC436255 [0,1,0,0,0,0|3,0,0]=4 35 B9R0.23 COC(=O)C(N)CC(=O)O MC436271 [0,1,0,0,0,0|3,0,0]=4 36 B9R0.23 COC(=O)C(N)CC(N)=O MC436238 [0,1,0,0,0,0|3,0,0]=4 37 B9R0.39 CC(=O)NC(CS)C(=O)O CS19200 [0,1,0,0,0,0|2,0,0]=3 38 B9R0.39 CC(=O)NC(CS)C(N)=O MC10785 [0,1,0,0,0,0|2,0,0]=3 39 B9R0.39 CCC(NC(C)=O)C(=O)O MC428063 [0,1,0,0,0,0|2,0,0]=3 40 B9R0.39 CCC(NC(C)=O)C(=O)O MC439247 [0,1,0,0,0,0|2,0,0]=3 41 B9R0.39 CNC(CC(=O)O)C(=O)O MC437899 [0,1,0,0,0,0|3,0,0]=4 42 B9R0.39 CNC(CC(=O)O)C(=O)O MC437900 [0,1,0,0,0,0|3,0,0]=4 43 B9R0.39 CNC(CC(=O)O)C(=O)O MC446678 [0,1,0,0,0,0|3,0,0]=4 44 B9R0.39 CNC(CC(N)=O)C(=O)O MC435534 [0,1,0,0,0,0|3,0,0]=4 45 B9R0.42 CCC(=O)OC(Cl)C(C)C CS20670 [0,1,0,0,0,0|2,0,1]=4 46 B9R0.42 COC(=O)CC(N)C(=O)O CS13817 [0,1,0,0,0,0|3,0,0]=4 47 B9R0.42 COC(=O)CC(N)C(=O)O CS22944 [0,1,0,0,0,0|3,0,0]=4 48 B9R0.42 COC(=O)CC(N)C(=O)O MC436270 [0,1,0,0,0,0|3,0,0]=4 49 B9R0.79 CC(C(=O)O)C(N)C(=O)O MC20536 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.35 O=C1CCC(C(=O)O)C1 CS19439 [0,0,0,1,0,0|2,0,0]=3 51 B9R1.35 O=C1CCC(C(=O)O)C1 MC105133 [0,0,0,1,0,0|2,0,0]=3 52 B9R1.35 O=C1CCC(C(=O)O)C1 MC105627 [0,0,0,1,0,0|2,0,0]=3 53 B9R1.35 O=C1CCC(C(=O)O)N1 CS22212 [0,0,0,1,0,0|2,0,0]=3 54 B9R1.35 O=C1CCC(C(=O)O)N1 MC438135 [0,0,0,1,0,0|2,0,0]=3 55 B9R1.35 O=C1CCC(C(=O)O)S1 MC103888 [0,0,0,1,0,0|1,1,0]=3 56 B9R1.35 O=C1NC(C(=O)O)CS1 MC438059 [0,0,0,1,0,0|3,0,0]=4 57 B9R1.69 CN1CC(=O)NCC1=O MC105654 [0,0,0,1,0,0|3,0,0]=4 58 B9R1.152 C=C1CC(C)(C(=O)O)C1 MC105172 [0,0,0,1,0,0|3,0,0]=4 59 B9R1.161 O=C(O)C1CC1C(=O)O MC33398 [0,0,0,1,0,0|3,0,0]=4 60 B7R0.16 NC(=O)C(N)C(N)=O CS14640 [0,0,0,0,1,0|3,0,0]=4 61 B9R0.7 CC(=O)OCC(N)C(=O)O MC428251 [0,0,0,0,0,1|2,0,0]=3 62 B9R0.7 CC(=O)OCC(N)C(=O)O MC438163 [0,0,0,0,0,1|2,0,0]=3 63 B6R0.3 CNC(C)C(=O)O MC428068 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.3 CNC(C)C(=O)O MC428076 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.3 CNC(C)C(=O)O MC428084 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.3 COC(C)C(=O)O CS14024 [2,0,0,0,0,0|1,0,0]=3 67 B6R0.3 COC(C)C(=O)O MC425243 [2,0,0,0,0,0|1,0,0]=3 68 B6R0.3 CON(C)C(C)=O CS11789 [2,0,0,0,0,0|1,0,0]=3 69 B8R0.3 COC(=O)C(C)NC=O MC437638 [1,1,0,0,0,0|1,0,0]=3 70 B8R0.9 CNC(=O)CNC(C)=O MC436060 [1,1,0,0,0,0|1,0,0]=3 71 B8R0.9 COC(=O)CCC(=O)O CS11694 [1,1,0,0,0,0|2,0,0]=4 72 B8R0.9 NCC(=O)CCC(=O)O CS10222 [1,1,0,0,0,0|2,0,0]=4 73 B8R0.9 NCC(=O)CCC(=O)O MC34214 [1,1,0,0,0,0|2,0,0]=4 74 B8R0.9 O=C(O)CNC(=O)CCl MC436845 [1,1,0,0,0,0|2,0,0]=4 75 B8R0.37 CC(=O)C(C)(C)C(C)=O MC445207 [0,1,0,0,1,0|0,0,0]=2 76 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MC435228 [0,1,0,0,0,1|2,0,0]=4 77 B10R0.44 COC(=O)CC(C)CC(=O)O CS18924 [0,1,0,0,0,1|2,0,0]=4 78 B10R0.47 COC(=O)CC(C)(C)C(=O)O MC443007 [0,2,0,0,0,0|2,0,0]=4 79 B10R0.141 COC(=O)C(C)(C)CC(=O)O MC441039 [0,2,0,0,0,0|2,0,0]=4 80 B10R0.46 COC(=O)C(C)NC(=O)CN MC435039 [0,2,0,0,0,0|1,0,0]=3 81 B10R0.46 COC(=O)CC(N)C(=O)OC MC436272 [0,2,0,0,0,0|2,0,0]=4 82 B10R0.46 COC(=O)CC(N)C(=O)OC MC436273 [0,2,0,0,0,0|2,0,0]=4 83 B10R0.46 COC(=O)CC(N)C(=O)OC MC436274 [0,2,0,0,0,0|2,0,0]=4 84 B10R0.46 COC(=O)CC(O)C(=O)OC CS19201 [0,2,0,0,0,0|2,0,0]=4 85 B10R0.54 COC(=O)C(CO)NC(C)=O MC436109 [0,2,0,0,0,0|1,0,0]=3 86 B10R0.54 COC(=O)C(CS)NC(C)=O MC103135 [0,2,0,0,0,0|1,0,0]=3 87 B10R0.23 CCCC(CC(C)=O)C(=O)O MC106868 [0,2,0,0,0,0|2,0,0]=4 88 B10R0.23 CCCC(NC(C)=O)C(=O)O MC439222 [0,2,0,0,0,0|2,0,0]=4 89 B10R0.23 CCCC(NC(C)=O)C(=O)O MC439271 [0,2,0,0,0,0|2,0,0]=4 90 B10R0.23 CSCC(NC(C)=O)C(=O)O MC439374 [0,2,0,0,0,0|2,0,0]=4 91 B10R0.53 CCC(NC(=O)CN)C(=O)O MC435034 [0,2,0,0,0,0|2,0,0]=4 92 B10R0.162 CC(=O)NC(C(=O)O)C(C)C CS19626 [0,2,0,0,0,0|2,0,0]=4 93 B10R0.162 CC(=O)NC(C(=O)O)C(C)C MC436130 [0,2,0,0,0,0|2,0,0]=4 94 B10R0.162 CC(=O)NC(C(=O)O)C(C)C MC439223 [0,2,0,0,0,0|2,0,0]=4 95 B10R0.162 CC(=O)NC(C(=O)O)C(C)O MC436111 [0,2,0,0,0,0|2,0,0]=4 96 B10R0.162 CC(=O)NC(C(N)=O)C(C)C MC436132 [0,2,0,0,0,0|2,0,0]=4 97 B10R0.26 CCOC(=O)CN(C)C(C)=O MC106401 [0,2,0,0,0,0|2,0,0]=4 98 B8R1.4 CC1CC(=O)CCN1 MC101989 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.4 CC1CC(=O)CCN1 MC103769 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.4 CC1CC(=O)CCN1 MC444193 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.4 CC1CC(=O)CCO1 MC103799 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.4 CC1CC(=O)CCO1 MC103800 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.4 CC1CC(=O)CCO1 MC31001 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.18 CC1=C(C)OC(=O)O1 CS18029 [1,0,0,1,0,0|1,0,1]=4 105 B8R1.18 CC1=CC(=O)OC1O CS22773 [1,0,0,1,0,0|1,0,1]=4 106 B8R1.18 CC1CC(=O)OC1=O MC440511 [1,0,0,1,0,0|2,0,0]=4 107 B8R1.18 CC1NC(=O)OC1=O CS17248 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.18 CC1NC(=O)OC1=O MC428306 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.5 CC1CNCCC1=O MC106748 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.5 CC1COCCC1=O MC425868 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.7 CC(=O)C1CCCC1 CS20673 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.7 CC(=O)C1CCCC1 MC445790 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.7 O=C(O)C1CCCO1 CS16192 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.7 O=C(O)C1CCCO1 CS18232 [1,0,0,1,0,0|1,0,1]=4 115 B8R1.7 O=C(O)C1CCCO1 MC20393 [1,0,0,1,0,0|1,0,1]=4 116 B8R1.23 O=C1CC(C(=O)O)C1 CS18894 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.23 O=C1CC(C(=O)O)N1 MC103900 [1,0,0,1,0,0|2,0,0]=4 118 B8R1.78 CC(=O)C1(C)COC1 MC444075 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.3 C=C1CCC(=O)CC1 MC106742 [1,0,0,1,0,0|2,0,0]=4 120 B8R1.3 O=C1CCC(=O)CC1 CS19236 [1,0,0,1,0,0|1,0,0]=3 121 B8R1.3 O=C1CCC(=O)NC1 CS21155 [1,0,0,1,0,0|1,0,0]=3 122 B8R1.50 CC1C(=O)CCC1=O CS21655 [0,0,0,1,1,0|0,0,0]=2 123 B8R1.50 O=C1CCC(=O)N1Br CS19757 [0,0,0,1,1,0|2,0,0]=4 124 B8R1.50 O=C1CCC(=O)N1I CS19758 [0,0,0,1,1,0|2,0,0]=4 125 B8R1.50 O=C1CCC(=O)N1O CS19674 [0,0,0,1,1,0|2,0,0]=4 126 B10R1.13 CC(=O)C1CC=C(C)CC1 CS14813 [0,0,0,1,0,1|2,0,0]=4 127 B10R1.13 O=C1CCC(C(=O)O)CC1 MC425116 [0,0,0,1,0,1|2,0,0]=4 128 B10R1.13 O=C1CCC(C(=O)O)CN1 MC444434 [0,0,0,1,0,1|2,0,0]=4 129 B10R1.14 COC(=O)C1CCC(=O)C1 MC104918 [0,1,0,1,0,0|1,0,0]=3 130 B10R1.14 COC(=O)C1CCC(=O)C1 MC105581 [0,1,0,1,0,0|1,0,0]=3 131 B10R1.14 COC(=O)C1CCC(=O)N1 CS14546 [0,1,0,1,0,0|1,0,0]=3 132 B10R1.14 COC(=O)C1CCC(=O)N1 CS15487 [0,1,0,1,0,0|1,0,0]=3 133 B10R1.14 COC(=O)C1CNC(=O)C1 CS12232 [0,1,0,1,0,0|2,0,0]=4 134 B10R1.14 COC(=O)N1CCC(=O)C1 CS16708 [0,1,0,1,0,0|2,0,0]=4 135 B10R1.194 CN1C(=O)CCC1C(=O)O MC443546 [0,1,0,1,0,0|2,0,0]=4 136 B10R1.424 COC(=O)C1(C)CC(=O)C1 MC444540 [0,1,0,1,0,0|1,0,0]=3 137 B10R1.113 O=C1CCNC(C(=O)O)C1 MC113049 [0,1,0,1,0,0|2,0,0]=4 138 B10R1.113 O=C1CCNC(C(=O)O)C1 MC445805 [0,1,0,1,0,0|2,0,0]=4 139 B10R1.113 O=C1CCNC(C(=O)O)C1 MC445809 [0,1,0,1,0,0|2,0,0]=4