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|0,0,0]=0 2 B9R0.57 C=C(OP(=O)(O)O)C(=O)O MCULE-8044116150 [0,0,0,0,0,0|0,0,0]=0 3 B9R0.57 C=C(OP(=O)(O)O)C(=O)[O-] MCULE-7660464274 [0,0,0,0,0,0|0,0,1]=1 4 B9R0.57 C=C(OP(=O)([O-])[O-])C(=O)[O-] MCULE-5732689251 [0,0,0,0,0,0|0,0,3]=3 5 B9R0.57 C=C(OP(=O)([O-])[O-])C(=O)[O-] MCULE-8027711225 [0,0,0,0,0,0|0,0,3]=3 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|2,0,1]=3 8 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O MCULE-6935567843 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.57 O=C(O)C(O)OP(=O)(O)O MCULE-2072428473 [0,0,0,0,0,0|1,0,1]=2 10 B8R0.23 C(=C(Br)C(=O)O)C(=O)O MCULE-1343964958 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.23 C=C(NC(=O)C)C(=O)O MCULE-6963284423 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.23 O=C(O)/C=C(\F)/C(=O)O MCULE-5646698704 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.23 O=C(O)C=C(F)C(=O)O MCULE-9862154394 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.23 O=C(O)C=C(I)C(=O)O MCULE-3104454041 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [1,0,0,0,0,0|3,0,0]=4 20 B8R0.24 CN(C=O)CP(=O)(O)O MCULE-5250485746 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.24 O=C(CP(=O)(O)O)NO MCULE-2272923571 [1,0,0,0,0,0|3,0,0]=4 22 B8R0.29 CC(=O)NCP(=O)(O)O MCULE-6441383987 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.29 CP(=O)(O)CCC(=O)O MCULE-7722406670 [1,0,0,0,0,0|2,0,1]=4 24 B8R0.29 O=C(O)CCP(=O)(O)O MCULE-5647723204 [1,0,0,0,0,0|1,0,1]=3 25 B10R0.95 O=C(O)C(CO)OP(=O)(O)O MCULE-7283219699 [0,1,0,0,0,0|0,0,2]=3 26 B8R0.27 CC(C(=O)O)P(=O)(O)O MCULE-8565461015 [0,0,0,0,1,0|0,0,2]=3 27 B8R0.27 O=C(O)C(Cl)P(=O)(O)O MCULE-8492715834 [0,0,0,0,1,0|1,0,1]=3 28 B8R0.27 O=C(O)C(O)P(=O)(O)O MCULE-5564177953 [0,0,0,0,1,0|1,0,1]=3 29 B10R0.31 NC(=CC(=O)O)CP(=O)(O)O MCULE-1305156195 [0,0,0,0,0,1|2,0,0]=3 30 B10R0.31 NC(=O)NC(=O)CP(=O)(O)O MCULE-3971513778 [0,0,0,0,0,1|3,0,0]=4 31 B10R0.31 NC(=O)NC(=O)CP(=O)(O)O MCULE-7873324486 [0,0,0,0,0,1|3,0,0]=4 32 B10R0.92 CP(=O)(O)CCC(=O)C(=O)O MCULE-1980572351 [0,0,0,0,0,1|3,0,0]=4 33 B10R0.92 NC(CCP(=O)(O)O)C(=O)O MCULE-2756478197 [0,0,0,0,0,1|2,0,1]=4 34 B10R0.92 NC(COP(=O)(O)O)C(=O)O MCULE-1695816394 [0,0,0,0,0,1|1,0,1]=3 35 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3863533502 [0,0,0,0,0,1|2,0,1]=4 36 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3988880216 [0,0,0,0,0,1|2,0,1]=4 37 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O MCULE-3199737084 [0,0,0,0,0,1|1,0,1]=3 38 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O MCULE-4907212979 [0,0,0,0,0,1|1,0,1]=3 39 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O MCULE-4319868114 [0,0,0,0,0,1|2,0,1]=4 40 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O MCULE-4002733556 [0,0,0,0,0,1|1,0,1]=3 41 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O MCULE-5554704102 [0,0,0,0,0,1|1,0,1]=3 42 B10R0.92 O=C(O)C(=O)COP(=O)(O)O MCULE-6558415212 [0,0,0,0,0,1|1,0,0]=2 43 B10R0.92 O=C(O)C(O)COP(=O)(O)O MCULE-4022388447 [0,0,0,0,0,1|1,0,1]=3 44 B10R0.92 O=C([O-])C(O)COP(=O)(O)O MCULE-5885787577 [0,0,0,0,0,1|1,0,2]=4 45 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.9 CC(=O)OP(=O)(O)O MCULE-3093243474 [2,0,0,0,0,0|0,0,1]=3 55 B7R0.9 NC(=O)OP(=O)(O)O MCULE-8071699770 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [2,0,0,0,0,0|2,0,0]=4 57 B9R0.23 C=C(CC(=O)O)C(=O)OC MCULE-6964816559 [1,1,0,0,0,0|2,0,0]=4 58 B9R0.39 CC=C(CC(=O)O)C(=O)O MCULE-9255608800 [1,1,0,0,0,0|2,0,0]=4 59 B9R0.42 C=C(CC(=O)OC)C(=O)O MCULE-1728748664 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.21 O=C(CO)COP(=O)(O)O MCULE-3352535301 [1,1,0,0,0,0|0,0,1]=3 61 B9R0.21 O=CC(O)COP(=O)(O)O MCULE-3089825671 [1,1,0,0,0,0|0,0,2]=4 62 B9R0.21 O=C[C@@H](O)COP(=O)(O)O MCULE-2424291446 [1,1,0,0,0,0|0,0,2]=4 63 B9R0.49 C=C(P(=O)(O)O)P(=O)(O)O MCULE-5559992133 [0,1,0,0,1,0|1,0,0]=3 64 B9R0.49 C=C(P(=O)([O-])O)P(=O)([O-])O MCULE-5333173931 [0,1,0,0,1,0|1,0,1]=4 65 B9R0.72 CCC(C(=O)O)P(=O)(O)O MCULE-5080348929 [0,1,0,0,1,0|0,0,2]=4 66 B11R0.274 O=CN(CC(=O)O)CP(=O)(O)O MCULE-3695226542 [0,1,0,0,0,1|2,0,0]=4 67 B11R0.308 CC(OP(=O)(O)O)C(N)C(=O)O MCULE-3979704333 [0,1,0,0,0,1|0,0,2]=4 68 B11R0.308 C[C@@H](OP(=O)(O)O)[C@H](N)C(=O)O MCULE-3663360571 [0,1,0,0,0,1|0,0,2]=4 69 B11R0.308 C[C@@H](OP(=O)(O)O)[C@H](N)C(=O)O MCULE-4499625523 [0,1,0,0,0,1|0,0,2]=4 70 B11R0.429 CC(N)(COP(=O)(O)O)C(=O)O MCULE-5462389544 [0,1,0,0,0,1|0,0,2]=4 71 B9R1.35 O=C1NC(=CO1)C(=O)O MCULE-2610586771 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.35 O=C1NC=C(O1)C(=O)O MCULE-1855563319 [1,0,0,1,0,0|2,0,0]=4 73 B7R0.16 C=C(C(=O)O)C(=O)O MCULE-7540749901 [1,0,0,0,1,0|1,0,0]=3 74 B7R0.16 O=C(O)C(=O)C(=O)O MCULE-9031084199 [1,0,0,0,1,0|2,0,0]=4 75 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [1,0,0,0,0,1|2,0,0]=4 76 B9R0.56 O=C(O)CCCP(=O)(O)O MCULE-9510971866 [1,0,0,0,0,1|1,0,1]=4 77 B9R0.56 O=C(O)CNCP(=O)(O)O MCULE-3308266821 [1,0,0,0,0,1|1,0,1]=4