0 B9R0.57 C=C(CS(=O)(=O)C)C(=O)O MCULE-8684596223 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.57 C=C(OP(=O)(O)O)C(=O)O MCULE-3602390360 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.57 C=C(OP(=O)(O)O)C(=O)O MCULE-8044116150 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.57 C=C(OP(=O)(O)O)C(=O)[O-] MCULE-7660464274 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.57 CC(C)(C)CC(=O)C(=O)O MCULE-5877446185 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.57 CS(=O)(=NC(=O)C(=O)O)C MCULE-5865028854 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.57 C[C@@H](N)C(=O)OP(=O)(O)O MCULE-5665170194 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.57 NC(CP(=O)(O)O)C(=O)O MCULE-3742656954 [0,0,0,0,0,0|1,0,1]=2 8 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-3360025136 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-4680118250 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O MCULE-6935567843 [0,0,0,0,0,0|1,0,1]=2 11 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-1558128725 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-6109276112 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.57 O=C(O)C(O)OP(=O)(O)O MCULE-2072428473 [0,0,0,0,0,0|1,0,2]=3 14 B8R0.23 C(=C(Br)C(=O)O)C(=O)O MCULE-1343964958 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.23 CC(C)CC(=O)C(=O)O MCULE-4155006996 [1,0,0,0,0,0|3,0,0]=4 20 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [1,0,0,0,0,0|2,0,1]=4 23 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [1,0,0,0,0,0|2,0,1]=4 24 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [1,0,0,0,0,0|2,0,1]=4 25 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [1,0,0,0,0,0|2,0,1]=4 26 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [1,0,0,0,0,0|2,0,1]=4 33 B8R0.23 O=C(O)/C=C(\F)/C(=O)O MCULE-5646698704 [1,0,0,0,0,0|2,0,1]=4 34 B8R0.23 O=C(O)C=C(F)C(=O)O MCULE-9862154394 [1,0,0,0,0,0|2,0,1]=4 35 B8R0.23 O=C(O)C=C(I)C(=O)O MCULE-3104454041 [1,0,0,0,0,0|2,0,1]=4 36 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [1,0,0,0,0,0|1,0,0]=2 37 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [1,0,0,0,0,0|1,0,2]=4 41 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [1,0,0,0,0,0|1,0,2]=4 42 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [1,0,0,0,0,0|1,0,2]=4 43 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [1,0,0,0,0,0|1,1,1]=4 44 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [1,0,0,0,0,0|2,0,1]=4 45 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [1,0,0,0,0,0|2,0,1]=4 46 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [1,0,0,0,0,0|1,0,2]=4 47 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [1,0,0,0,0,0|1,0,2]=4 48 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [1,0,0,0,0,0|2,0,1]=4 50 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [1,0,0,0,0,0|1,0,2]=4 52 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [1,0,0,0,0,0|1,0,2]=4 53 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [1,0,0,0,0,0|1,1,1]=4 54 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [1,0,0,0,0,0|2,0,1]=4 55 B8R0.24 CN(C=O)CP(=O)(O)O MCULE-5250485746 [1,0,0,0,0,0|2,0,0]=3 56 B8R0.24 COC(=O)CP(=O)(O)O MCULE-7218551741 [1,0,0,0,0,0|2,0,0]=3 57 B8R0.24 O=C(CP(=O)(O)O)NO MCULE-2272923571 [1,0,0,0,0,0|1,0,0]=2 58 B8R0.29 CC(=O)NCP(=O)(O)O MCULE-6441383987 [1,0,0,0,0,0|2,0,0]=3 59 B8R0.29 CP(=O)(C)CCC(=O)O MCULE-4161237740 [1,0,0,0,0,0|2,0,1]=4 60 B8R0.29 CP(=O)(O)CCC(=O)O MCULE-7722406670 [1,0,0,0,0,0|1,0,1]=3 61 B8R0.29 O=C(O)CCP(=O)(O)O MCULE-5647723204 [1,0,0,0,0,0|0,0,1]=2 62 B8R0.29 O=C(O)CCS(=O)(=O)O MCULE-8973025218 [1,0,0,0,0,0|1,0,2]=4 63 B10R0.95 O=C(O)C(CO)OP(=O)(O)O MCULE-7283219699 [0,1,0,0,0,0|1,0,2]=4 64 B10R0.114 O=P(O)(O)CC(O)P(=O)(O)O MCULE-9975303224 [0,1,0,0,0,0|1,0,2]=4 65 B8R0.27 CC(C(=O)O)P(=O)(O)O MCULE-8565461015 [0,0,0,0,1,0|1,0,1]=3 66 B8R0.27 O=C(O)C(Cl)P(=O)(O)O MCULE-8492715834 [0,0,0,0,1,0|1,0,1]=3 67 B8R0.27 O=C(O)C(O)P(=O)(O)O MCULE-5564177953 [0,0,0,0,1,0|0,0,2]=3 68 B10R0.31 NC(=CC(=O)O)CP(=O)(O)O MCULE-1305156195 [0,0,0,0,0,1|1,0,0]=2 69 B10R0.31 NC(=O)NC(=O)CP(=O)(O)O MCULE-3971513778 [0,0,0,0,0,1|1,0,0]=2 70 B10R0.31 NC(=O)NC(=O)CP(=O)(O)O MCULE-7873324486 [0,0,0,0,0,1|1,0,0]=2 71 B10R0.92 CP(=O)(O)CCC(=O)C(=O)O MCULE-1980572351 [0,0,0,0,0,1|1,0,0]=2 72 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-1038057082 [0,0,0,0,0,1|2,0,1]=4 73 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-7761179555 [0,0,0,0,0,1|2,0,1]=4 74 B10R0.92 NC(CCP(=O)(O)O)C(=O)O MCULE-2756478197 [0,0,0,0,0,1|1,0,1]=3 75 B10R0.92 NC(COP(=O)(O)O)C(=O)O MCULE-1695816394 [0,0,0,0,0,1|1,0,1]=3 76 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3863533502 [0,0,0,0,0,1|1,0,1]=3 77 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3988880216 [0,0,0,0,0,1|1,0,1]=3 78 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O MCULE-3199737084 [0,0,0,0,0,1|1,0,1]=3 79 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O MCULE-4907212979 [0,0,0,0,0,1|1,0,1]=3 80 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O MCULE-4319868114 [0,0,0,0,0,1|1,0,1]=3 81 B10R0.92 N[C@H](CCP(=O)([O-])O)C(=O)O MCULE-5292220353 [0,0,0,0,0,1|1,0,2]=4 82 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O MCULE-4002733556 [0,0,0,0,0,1|1,0,1]=3 83 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O MCULE-5554704102 [0,0,0,0,0,1|1,0,1]=3 84 B10R0.92 O=C(O)C(=O)COP(=O)(O)O MCULE-6558415212 [0,0,0,0,0,1|0,0,0]=1 85 B10R0.92 O=C(O)C(O)COP(=O)(O)O MCULE-4022388447 [0,0,0,0,0,1|0,0,2]=3 86 B10R0.92 O=C([O-])C(O)COP(=O)(O)O MCULE-5885787577 [0,0,0,0,0,1|0,0,3]=4 87 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [2,0,0,0,0,0|1,0,1]=4 88 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [2,0,0,0,0,0|2,0,0]=4 89 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [2,0,0,0,0,0|2,0,0]=4 90 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [2,0,0,0,0,0|1,0,1]=4 91 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [2,0,0,0,0,0|1,0,1]=4 92 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [2,0,0,0,0,0|1,0,1]=4 93 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [2,0,0,0,0,0|1,0,1]=4 94 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [2,0,0,0,0,0|1,0,1]=4 95 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [2,0,0,0,0,0|1,0,1]=4 96 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [2,0,0,0,0,0|1,0,1]=4 97 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [2,0,0,0,0,0|1,0,1]=4 98 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [2,0,0,0,0,0|1,0,1]=4 99 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [2,0,0,0,0,0|1,0,1]=4 100 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [2,0,0,0,0,0|1,0,1]=4 101 B7R0.9 CC(=O)OP(=O)(O)O MCULE-3093243474 [2,0,0,0,0,0|1,0,1]=4 102 B7R0.9 NC(=O)OP(=O)(O)O MCULE-8071699770 [2,0,0,0,0,0|2,0,0]=4 103 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [2,0,0,0,0,0|0,0,0]=2 104 B7R0.9 O=C(O)CS(=O)(=O)O MCULE-4846153382 [2,0,0,0,0,0|1,0,1]=4 105 B9R0.23 C=C(CC(=O)O)C(=O)OC MCULE-6964816559 [1,1,0,0,0,0|2,0,0]=4 106 B9R0.23 COC(=O)C(=O)CC(=O)C MCULE-8074026108 [1,1,0,0,0,0|2,0,0]=4 107 B9R0.39 CC=C(CC(=O)O)C(=O)O MCULE-9255608800 [1,1,0,0,0,0|2,0,0]=4 108 B9R0.42 C=C(CC(=O)OC)C(=O)O MCULE-1728748664 [1,1,0,0,0,0|2,0,0]=4 109 B9R0.42 COC(=O)CC(=O)C(=O)O MCULE-5008305161 [1,1,0,0,0,0|1,0,0]=3 110 B9R0.21 O=C(CO)COP(=O)(O)O MCULE-3352535301 [1,1,0,0,0,0|1,0,1]=4 111 B9R0.64 NCP(=O)(O)CCC(=O)O MCULE-8895842344 [1,1,0,0,0,0|1,0,1]=4 112 B9R0.77 O=P(O)(O)CCP(=O)(O)O MCULE-4998633006 [1,1,0,0,0,0|1,0,1]=4 113 B9R0.49 C=C(P(=O)(O)O)P(=O)(O)O MCULE-5559992133 [0,1,0,0,1,0|2,0,0]=4 114 B9R0.72 CCC(C(=O)O)P(=O)(O)O MCULE-5080348929 [0,1,0,0,1,0|1,0,1]=4 115 B11R0.51 NC(=O)NC(=O)C(Cl)P(=O)(O)O MCULE-7473147759 [0,1,0,0,0,1|1,0,0]=3 116 B11R0.51 NC(=O)NC(=O)C(Cl)P(=O)(O)O MCULE-8631788718 [0,1,0,0,0,1|1,0,0]=3 117 B11R0.274 O=CN(CC(=O)O)CP(=O)(O)O MCULE-3695226542 [0,1,0,0,0,1|1,0,0]=3 118 B11R0.274 O=NN(CC(=O)O)CP(=O)(O)O MCULE-9439249133 [0,1,0,0,0,1|1,0,0]=3 119 B11R0.429 CC(N)(CCP(=O)(O)O)C(=O)O MCULE-2760958330 [0,1,0,0,0,1|1,0,1]=4 120 B11R0.429 CC(N)(COP(=O)(O)O)C(=O)O MCULE-5462389544 [0,1,0,0,0,1|1,0,1]=4 121 B11R0.429 C[C@@](N)(CCP(=O)(O)O)C(=O)O MCULE-1287669186 [0,1,0,0,0,1|1,0,1]=4 122 B11R0.429 C[C@](N)(CCP(=O)(O)O)C(=O)O MCULE-2264066789 [0,1,0,0,0,1|1,0,1]=4 123 B7R0.16 C=C(C(=O)O)C(=O)O MCULE-7540749901 [1,0,0,0,1,0|2,0,0]=4 124 B7R0.16 O=C(O)C(=O)C(=O)O MCULE-9031084199 [1,0,0,0,1,0|1,0,0]=3 125 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [1,0,0,0,0,1|2,0,0]=4 126 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [1,0,0,0,0,1|1,0,0]=3 127 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] MCULE-3585102694 [1,0,0,0,0,1|1,0,1]=4 128 B9R0.7 O=C(O)CNC(=O)C(=O)O MCULE-6181171802 [1,0,0,0,0,1|1,0,0]=3 129 B9R0.7 O=C([O-])CCC(=O)C(=O)O MCULE-3931336643 [1,0,0,0,0,1|1,0,1]=4 130 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [1,0,0,0,0,1|1,0,1]=4 131 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O MCULE-1345660635 [1,0,0,0,0,1|2,0,0]=4 132 B9R0.53 CC(=CC(=O)O)CC(=O)O MCULE-8165055939 [1,0,0,0,0,1|2,0,0]=4 133 B9R0.53 O=C(O)C=C(Cl)CC(=O)O MCULE-4643738898 [1,0,0,0,0,1|2,0,0]=4 134 B9R0.53 O=C(O)CC(=O)CC(=O)O MCULE-7760127170 [1,0,0,0,0,1|1,0,0]=3 135 B9R0.53 O=C(O)CS(=O)CC(=O)O MCULE-8117628584 [1,0,0,0,0,1|2,0,0]=4 136 B9R0.56 O=C(O)CCCP(=O)(O)O MCULE-9510971866 [1,0,0,0,0,1|0,0,1]=3 137 B9R0.56 O=C(O)CNCP(=O)(O)O MCULE-3308266821 [1,0,0,0,0,1|0,0,1]=3 138 B9R0.56 O=C([O-])CNCP(=O)(O)O MCULE-8648426476 [1,0,0,0,0,1|0,0,2]=4 139 B11R0.318 NC(CC=CP(=O)(O)O)C(=O)O MCULE-8316215091 [0,0,0,0,0,2|1,0,1]=4 140 B11R0.318 NC(CCCP(=O)(O)O)C(=O)O MCULE-8623591326 [0,0,0,0,0,2|1,0,1]=4 141 B11R0.318 N[C@@H](CCCP(=O)(O)O)C(=O)O MCULE-4298011103 [0,0,0,0,0,2|1,0,1]=4 142 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O MCULE-4903649245 [0,0,0,0,0,2|1,0,1]=4 143 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O MCULE-6840301080 [0,0,0,0,0,2|1,0,1]=4