0 B9R0.21 O=CC(O)COP(=O)(O)O MCULE-3089825671 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.21 O=C[C@@H](O)COP(=O)(O)O MCULE-2424291446 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.21 O=P(O)(O)OCC(O)CO MCULE-1053997818 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.21 O=P(O)(O)OC[C@H](O)CO MCULE-1337563082 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.21 O=P(O)(O)OC[C@H](O)CO MCULE-2982304745 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.21 O=P(O)(O)OC[C@H](O)CO MCULE-9577432755 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.21 NCCCCP(=O)(O)O MCULE-2632534074 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.21 O=P(O)(O)CCCCBr MCULE-5686227952 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.29 CC(=O)NCP(=O)(O)O MCULE-6441383987 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.29 CP(=O)(C)CCC(=O)O MCULE-4161237740 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.29 CP(=O)(O)CCC(=O)O MCULE-7722406670 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.29 O=C(O)CCP(=O)(O)O MCULE-5647723204 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.29 O=C(O)CCS(=O)(=O)O MCULE-8973025218 [1,0,0,0,0,0|2,0,1]=4 13 B10R0.92 CP(=O)(O)CCC(=O)C(=O)O MCULE-1980572351 [0,1,0,0,0,0|2,0,1]=4 14 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-1038057082 [0,1,0,0,0,0|3,0,0]=4 15 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-7761179555 [0,1,0,0,0,0|3,0,0]=4 16 B10R0.92 NC(CCP(=O)(O)O)C(=O)O MCULE-2756478197 [0,1,0,0,0,0|2,0,0]=3 17 B10R0.92 NC(COP(=O)(O)O)C(=O)O MCULE-1695816394 [0,1,0,0,0,0|3,0,0]=4 18 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3863533502 [0,1,0,0,0,0|2,0,0]=3 19 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3988880216 [0,1,0,0,0,0|2,0,0]=3 20 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O MCULE-3199737084 [0,1,0,0,0,0|3,0,0]=4 21 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O MCULE-4907212979 [0,1,0,0,0,0|3,0,0]=4 22 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O MCULE-4319868114 [0,1,0,0,0,0|2,0,0]=3 23 B10R0.92 N[C@H](CCP(=O)([O-])O)C(=O)O MCULE-5292220353 [0,1,0,0,0,0|2,0,1]=4 24 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O MCULE-4002733556 [0,1,0,0,0,0|3,0,0]=4 25 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O MCULE-5554704102 [0,1,0,0,0,0|3,0,0]=4 26 B10R0.92 O=C(O)C(=O)COP(=O)(O)O MCULE-6558415212 [0,1,0,0,0,0|2,0,1]=4 27 B10R0.92 O=C(O)C(O)COP(=O)(O)O MCULE-4022388447 [0,1,0,0,0,0|2,0,0]=3 28 B10R0.92 O=C([O-])C(O)COP(=O)(O)O MCULE-5885787577 [0,1,0,0,0,0|2,0,0]=3 29 B10R0.92 O=C([O-])C(O)COP(=O)([O-])O MCULE-6234171535 [0,1,0,0,0,0|2,0,1]=4 30 B10R0.92 O=C([O-])[C@H](O)COP(=O)([O-])O MCULE-3595347032 [0,1,0,0,0,0|2,0,1]=4 31 B10R0.92 O=C([O-])[C@H](O)COP(=O)([O-])O MCULE-8994292484 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.24 CN(C=O)CP(=O)(O)O MCULE-5250485746 [0,0,0,0,1,0|1,0,0]=2 33 B8R0.24 [NH3+]CC(O)CP(=O)(O)O MCULE-1909194599 [0,0,0,0,1,0|2,0,1]=4 34 B8R0.24 [NH3+]CC(O)CP(=O)(O)O MCULE-2988447435 [0,0,0,0,1,0|2,0,1]=4 35 B10R0.60 O=CN(O)CCCP(=O)(O)O MCULE-2546868747 [0,0,0,0,0,1|0,0,0]=1 36 B10R0.60 O=CN(O)CCCP(=O)([O-])O MCULE-1343930312 [0,0,0,0,0,1|0,0,1]=2 37 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.8 CCCCP(=O)(O)O MCULE-8779445551 [2,0,0,0,0,0|1,0,1]=4 42 B7R0.8 NCCCP(=O)(O)O MCULE-7175026527 [2,0,0,0,0,0|1,0,1]=4 43 B7R0.8 O=P(O)(O)CCCBr MCULE-8428985634 [2,0,0,0,0,0|1,0,1]=4 44 B7R0.8 O=P(O)(O)CCCCl MCULE-9259107636 [2,0,0,0,0,0|1,0,1]=4 45 B9R0.7 CC(=O)N(C)CCC(=O)O MCULE-3939402773 [1,1,0,0,0,0|2,0,0]=4 46 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [1,1,0,0,0,0|2,0,0]=4 47 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [1,1,0,0,0,0|2,0,0]=4 48 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [1,1,0,0,0,0|2,0,0]=4 49 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [1,1,0,0,0,0|2,0,0]=4 50 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.42 NC(CN(O)N=O)C(=O)O MCULE-5880257959 [1,1,0,0,0,0|2,0,0]=4 53 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O MCULE-5513289219 [1,1,0,0,0,0|2,0,0]=4 54 B9R0.42 [C@H](N)(CN(O)N=O)C(=O)O MCULE-4128156769 [1,1,0,0,0,0|2,0,0]=4 55 B9R0.56 CC(=O)NCCS(=O)(=O)O MCULE-4053951959 [1,1,0,0,0,0|1,0,1]=4 56 B9R0.56 NC(=O)NCCS(=O)(=O)O MCULE-6567400181 [1,1,0,0,0,0|1,0,1]=4 57 B9R0.56 O=C(O)CCCP(=O)(O)O MCULE-9510971866 [1,1,0,0,0,0|1,0,0]=3 58 B9R0.56 O=C(O)CNCP(=O)(O)O MCULE-3308266821 [1,1,0,0,0,0|2,0,0]=4 59 B9R0.56 O=C([O-])CNCP(=O)(O)O MCULE-8648426476 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.57 NC(CP(=O)(O)O)C(=O)O MCULE-3742656954 [1,1,0,0,0,0|1,0,0]=3 61 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O MCULE-6935567843 [1,1,0,0,0,0|1,0,0]=3 62 B9R0.57 O=C(O)C(O)OP(=O)(O)O MCULE-2072428473 [1,1,0,0,0,0|2,0,0]=4 63 B9R0.77 O=P(O)(O)CCP(=O)(O)O MCULE-4998633006 [1,1,0,0,0,0|0,1,0]=3 64 B11R0.318 CC(=O)N(O)CCCP(=O)(O)O MCULE-1046565752 [0,1,0,0,0,1|0,0,0]=2 65 B11R0.318 CC(=O)N(O)CCCP(=O)([O-])O MCULE-3907251863 [0,1,0,0,0,1|0,0,1]=3 66 B11R0.318 CN(CCOP(=O)(O)O)C(=N)N MCULE-2222254090 [0,1,0,0,0,1|2,0,0]=4 67 B11R0.318 NC(CCCP(=O)(O)O)C(=O)O MCULE-8623591326 [0,1,0,0,0,1|2,0,0]=4 68 B11R0.318 NC(CCCP(=O)(O)O)C(=O)[O-] MCULE-1190482144 [0,1,0,0,0,1|2,0,0]=4 69 B11R0.318 N[C@@H](CCCP(=O)(O)O)C(=O)O MCULE-4298011103 [0,1,0,0,0,1|2,0,0]=4 70 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O MCULE-4903649245 [0,1,0,0,0,1|2,0,0]=4 71 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O MCULE-6840301080 [0,1,0,0,0,1|2,0,0]=4 72 B11R0.318 [NH3+][C@@H](CCCP(=O)(O)O)C(=O)[O-] MCULE-2958965934 [0,1,0,0,0,1|2,0,0]=4 73 B11R0.429 CC(N)(CCP(=O)(O)O)C(=O)O MCULE-2760958330 [0,2,0,0,0,0|2,0,0]=4 74 B11R0.429 C[C@@](N)(CCP(=O)(O)O)C(=O)O MCULE-1287669186 [0,2,0,0,0,0|2,0,0]=4 75 B11R0.429 C[C@](N)(CCP(=O)(O)O)C(=O)O MCULE-2264066789 [0,2,0,0,0,0|2,0,0]=4 76 B9R1.55 CN1CC(C1=O)C(=O)O MCULE-5592777830 [1,0,0,1,0,0|2,0,0]=4 77 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [1,0,0,0,1,0|2,0,0]=4 78 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [1,0,0,0,1,0|1,0,0]=3 79 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [1,0,0,0,1,0|1,0,0]=3