0 B7R0.6 NC(=O)\C=C/C(N)=O 8173AL [0,0,0,0,0,0|2,0,2]=4 1 B7R0.6 O=C(O)CCC(=O)O 9603AL [0,0,0,0,0,0|1,0,0]=1 2 B7R0.6 O=C(O)\C=C/C(=O)O O758 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.6 O=C(O)\N=N\C(=O)O 0987AP [0,0,0,0,0,0|3,0,0]=3 4 B7R0.6 O=C([O-])CCC(=O)O 7180AF [0,0,0,0,0,0|1,0,0]=1 5 B7R0.6 O=C([O-])CCC(=O)O V1664 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.6 O=C([O-])CCC(=O)[O-] 7155AF [0,0,0,0,0,0|1,0,1]=2 7 B7R0.6 O=C([O-])CCC(=O)[O-] V1658 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.6 O=C([O-])\C=C/C(=O)[O-] 7135AF [0,0,0,0,0,0|1,0,3]=4 9 B7R0.6 O=C([O-])\C=C/C(=O)[O-] 7138AF [0,0,0,0,0,0|1,0,3]=4 10 B7R0.6 O=C([O-])\C=C/C(=O)[O-] 7139AF [0,0,0,0,0,0|1,0,3]=4 11 B7R0.6 O=C([O-])\C=C\C(=O)O O999 [0,0,0,0,0,0|1,0,2]=3 12 B6R0.4 CN(C)CCC=O 0848AC [1,0,0,0,0,0|2,0,0]=3 13 B6R0.4 O=CNCC(=O)O Y4936 [1,0,0,0,0,0|1,0,0]=2 14 B8R0.9 CC(=O)OCC(O)CO 7324AF [0,1,0,0,0,0|1,0,2]=4 15 B8R0.9 CCN(C)CCC(=O)O 8627AC [0,1,0,0,0,0|2,0,0]=3 16 B8R0.9 NCC(=O)CCC(=O)O 1451AA [0,1,0,0,0,0|0,0,0]=1 17 B8R0.9 NCC(=O)NCC(=O)O 7998AL [0,1,0,0,0,0|1,0,0]=2 18 B8R0.23 CC(CC(=O)Cl)C(=O)Cl E091 [0,1,0,0,0,0|2,0,0]=3 19 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] U199 [0,1,0,0,0,0|1,0,1]=3 20 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] V1608 [0,1,0,0,0,0|1,0,1]=3 21 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] R742 [0,1,0,0,0,0|1,0,1]=3 22 B8R0.23 O=C([O-])CC(O)C(=O)[O-] 7157AF [0,1,0,0,0,0|1,0,1]=3 23 B8R0.29 CC(C)(C)NCC(=O)O 8665AB [0,1,0,0,0,0|2,0,1]=4 24 B8R1.3 NC1CCC(=O)CC1 X7969 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.23 C=C1CC(C(=O)O)C1 Y3148 [0,0,0,1,0,0|1,0,0]=2 26 B8R1.51 O=C1CCC(F)(F)C1 3912AA [0,0,0,1,0,0|2,0,1]=4 27 B8R1.51 O=C1CCS(=O)(=O)O1 7024AF [0,0,0,1,0,0|2,0,0]=3 28 B6R0.2 CC(=N)CC(C)=O 7397AF [0,0,0,0,1,0|2,0,0]=3 29 B6R0.2 CC(=O)C[N+](=O)[O-] Z2334 [0,0,0,0,1,0|1,0,1]=3 30 B6R0.2 CC(=O)\C=C(\C)[O-] 7375AF [0,0,0,0,1,0|1,0,2]=4 31 B6R0.2 CC(C)CC(=O)Cl V2138 [0,0,0,0,1,0|2,0,1]=4 32 B6R0.2 CC(C)CC(=O)[O-] 7399AF [0,0,0,0,1,0|1,0,2]=4 33 B6R0.2 CC(C)CC(=O)[O-] 7400AF [0,0,0,0,1,0|1,0,2]=4 34 B6R0.2 C[C@H](O)CC(=O)O Z4946 [0,0,0,0,1,0|0,0,2]=3 35 B6R0.2 C\C(N)=C\C(N)=O 7954AA [0,0,0,0,1,0|2,0,1]=4 36 B6R0.2 O=C(Cl)CC(=O)Cl 8788AJ [0,0,0,0,1,0|2,0,0]=3 37 B8R0.28 CC(=O)O[Cd]OC(C)=O 7189AF [0,0,0,0,0,1|3,0,0]=4 38 B8R0.28 CC(=O)O[Mn]OC(C)=O 7196AF [0,0,0,0,0,1|3,0,0]=4 39 B8R0.28 CC(=O)O[Ru]OC(C)=O 8426AJ [0,0,0,0,0,1|3,0,0]=4 40 B8R0.28 CC(=O)O[Sn]OC(C)=O 7221AF [0,0,0,0,0,1|3,0,0]=4 41 B8R0.28 CC(C)COCC(=O)O 8143AD [0,0,0,0,0,1|1,0,1]=3 42 B8R0.28 CC(C)C\C=C\C(=O)O 0195AP [0,0,0,0,0,1|1,0,2]=4 43 B8R0.28 CN(C)CCCC(=O)O Y1714 [0,0,0,0,0,1|2,0,0]=3 44 B8R0.28 CN(C)C\C=C\C(=O)O 4625AF [0,0,0,0,0,1|2,0,1]=4 45 B8R0.28 N=C(N)SCCC(=O)O M147 [0,0,0,0,0,1|2,0,0]=3 46 B8R0.28 O=C([O-])CNCC(=O)[O-] 7178AF [0,0,0,0,0,1|1,0,1]=3 47 B8R0.28 O=C([O-])COCC(=O)O 7181AF [0,0,0,0,0,1|1,0,0]=2 48 B5R0.1 CC(=O)CCS U742 [2,0,0,0,0,0|0,1,0]=3 49 B5R0.1 CC(O)CC=O 7261AF [2,0,0,0,0,0|0,0,2]=4 50 B5R0.1 CCCC(=O)[O-] M135 [2,0,0,0,0,0|0,0,1]=3 51 B5R0.1 N=C(N)CCO 5428AA [2,0,0,0,0,0|2,0,0]=4 52 B5R0.1 NC(=O)NC=O 6851AF [2,0,0,0,0,0|2,0,0]=4 53 B5R0.2 COCCC=O Y8542 [2,0,0,0,0,0|1,0,0]=3 54 B5R0.2 O=CCCC=O N715 [2,0,0,0,0,0|0,0,0]=2 55 B7R0.2 N[C@@H](CO)CC(=O)O 4626AA [1,1,0,0,0,0|0,0,2]=4 56 B7R0.3 C=CCOC(=O)CC 7475AF [1,1,0,0,0,0|2,0,0]=4 57 B7R0.3 CCC(=O)\C=C\C=O Z6191 [1,1,0,0,0,0|0,0,2]=4 58 B7R0.3 COC(=O)CCCO 3568AL [1,1,0,0,0,0|0,0,1]=3 59 B7R0.3 COC(=O)\C=C\C=O 1381AC [1,1,0,0,0,0|0,0,2]=4 60 B7R0.4 C=CCCOC(=O)Cl Y4611 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.4 CC(=O)OCCC=O 9702AA [1,1,0,0,0,0|0,0,0]=2 62 B7R0.4 C\C=C\COC(C)=O 7476AF [1,1,0,0,0,0|1,0,1]=4 63 B7R0.4 NC(=O)COCCO 7275AF [1,1,0,0,0,0|1,0,1]=4 64 B7R0.4 NOCCCC(=O)O V9806 [1,1,0,0,0,0|0,0,2]=4 65 B7R0.5 CC(=O)C(Cl)CCO X4477 [1,1,0,0,0,0|0,0,1]=3 66 B7R0.5 CCCC(O)C(C)=O X3438 [1,1,0,0,0,0|1,0,1]=4 67 B7R0.5 CNC[C@H](N)C(=O)O Q369 [1,1,0,0,0,0|1,0,0]=3 68 B7R0.5 C[Se]C[C@H](N)C(=O)O 2218AB [1,1,0,0,0,0|1,0,0]=3 69 B7R0.5 NC(CCBr)C(=O)O 0872AA [1,1,0,0,0,0|1,0,1]=4 70 B7R0.5 N[C@@H](CCO)C(=O)O 0148AB [1,1,0,0,0,0|0,0,2]=4 71 B7R0.8 CCCCS(=O)(=O)O X7342 [1,1,0,0,0,0|1,0,1]=4 72 B7R0.9 O=C(O)CS(=O)(=O)O 4477AA [0,1,0,0,1,0|2,0,0]=4 73 B7R0.9 O=C(O)CS(=O)(=O)O 6854AF [0,1,0,0,1,0|2,0,0]=4 74 B7R0.16 CC(N)C(N)C(=O)O 2357AB [0,1,0,0,1,0|1,0,1]=4 75 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O 5485AC [0,1,0,0,1,0|1,0,1]=4 76 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O 0965AB [0,1,0,0,1,0|1,0,1]=4 77 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O 9929AB [0,1,0,0,1,0|1,0,1]=4 78 B7R0.16 C[C@H](N)[C@H](N)C(=O)O 3674AA [0,1,0,0,1,0|1,0,1]=4 79 B7R0.16 O=C(O)C(Cl)C(=O)O 8949AB [0,1,0,0,1,0|1,0,0]=3 80 B9R0.1 C=CC(=O)OCCC(=O)O 7898AJ [0,1,0,0,0,1|0,0,1]=3 81 B9R0.1 CC(=O)OC\C=C(/C)C=O X5229 [0,1,0,0,0,1|1,0,1]=4 82 B9R0.1 COC(=O)CCCN(C)C Y1182 [0,1,0,0,0,1|2,0,0]=4 83 B9R0.7 CC(=O)N(C)CCC(=O)O 6114AE [0,1,0,0,0,1|0,0,0]=2 84 B9R0.7 CC(C)C(=O)CCC(=O)O 2968AE [0,1,0,0,0,1|1,0,1]=4 85 B9R0.7 CC(CCC(=O)O)C(=O)O 0280AP [0,1,0,0,0,1|1,0,0]=3 86 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O 1751AF [0,1,0,0,0,1|2,0,0]=4 87 B9R0.7 C[S+](C)CCC(N)C(=O)O 8997AD [0,1,0,0,0,1|2,0,0]=4 88 B9R0.7 NC(=O)C(N)CCC(=O)O Y1588 [0,1,0,0,0,1|1,0,0]=3 89 B9R0.7 O=C(O)CCC(=O)C(=O)O F772 [0,1,0,0,0,1|1,0,0]=3 90 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] V1642 [0,1,0,0,0,1|1,0,1]=4 91 B9R0.56 CC(C)(C)OCCC(=O)O 0797AB [0,1,0,0,0,1|1,0,1]=4 92 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Z5970 [0,2,0,0,0,0|1,0,1]=4 93 B9R0.24 CNC(=O)CNC(=O)CN 4960AC [0,2,0,0,0,0|2,0,0]=4 94 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O W5787 [0,2,0,0,0,0|1,0,1]=4 95 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O 0587AP [0,2,0,0,0,0|1,0,0]=3 96 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O 0584AP [0,2,0,0,0,0|1,0,0]=3 97 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O 9397AB [0,2,0,0,0,0|1,0,0]=3 98 B9R0.39 CC(=O)N[C@@H](CS)C(=O)[O-] 0074AP [0,2,0,0,0,0|1,0,1]=4 99 B9R0.39 CN[C@H](CC(=O)O)C(=O)O 2589AH [0,2,0,0,0,0|1,0,0]=3 100 B9R0.79 CC(C(=O)O)[C@@H](N)C(=O)O 5973AB [0,2,0,0,0,0|1,0,0]=3 101 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O Q390 [0,2,0,0,0,0|1,0,1]=4 102 B9R0.79 NC(C(=O)O)C(N)C(=O)O E645 [0,2,0,0,0,0|1,0,0]=3 103 B9R0.79 NC(C(=O)O)C(N)C(=O)O Z5348 [0,2,0,0,0,0|1,0,0]=3 104 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O 1525AB [0,2,0,0,0,0|1,0,0]=3 105 B9R0.79 O=C(O)C(O)C(O)C(=O)O V0484 [0,2,0,0,0,0|1,0,0]=3 106 B9R0.79 O=C(O)C(S)C(S)C(=O)O 9660AJ [0,2,0,0,0,0|1,0,0]=3 107 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O 7225AF [0,2,0,0,0,0|1,0,0]=3 108 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O 9097AB [0,2,0,0,0,0|1,0,0]=3 109 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O 5598AL [0,2,0,0,0,0|1,0,0]=3 110 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] 5404AF [0,2,0,0,0,0|1,0,1]=4 111 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] 7162AF [0,2,0,0,0,0|1,0,1]=4 112 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] 7164AF [0,2,0,0,0,0|1,0,1]=4 113 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] F399 [0,2,0,0,0,0|1,0,1]=4 114 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] G403 [0,2,0,0,0,0|1,0,1]=4 115 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] X6815 [0,2,0,0,0,0|1,0,1]=4 116 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] X6975 [0,2,0,0,0,0|1,0,1]=4 117 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] X6977 [0,2,0,0,0,0|1,0,1]=4 118 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] Z3635 [0,2,0,0,0,0|1,0,1]=4 119 B7R1.2 CC1CCC(=O)C1 7470AF [1,0,0,1,0,0|1,0,1]=4 120 B7R1.3 O=C1CCCNC1 7001AB [1,0,0,1,0,0|1,0,1]=4 121 B7R1.10 N#CC1CC(=O)C1 Z4386 [1,0,0,1,0,0|1,0,1]=4 122 B7R1.18 O=C(O)[C@@H]1CCN1 5483AB [1,0,0,1,0,0|1,0,1]=4 123 B9R1.35 CN1CCC(C(=O)O)C1 W6581 [0,0,0,1,0,1|2,0,0]=4 124 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 4596AF [0,0,0,1,0,1|1,1,0]=4 125 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 4247AH [0,0,0,1,0,1|0,0,2]=4 126 B9R1.35 O=C1CN[C@H](C(=O)O)C1 6009AB [0,0,0,1,0,1|0,0,0]=2 127 B9R1.35 O=C1CN[C@H](C(=O)O)C1 8316AF [0,0,0,1,0,1|0,0,0]=2 128 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O 0769AC [0,0,0,1,0,1|1,0,0]=3 129 B5R0.5 O=C(O)C(=O)O 6148AH [0,0,0,0,2,0|1,0,0]=3 130 B5R0.5 O=C(O)C(=O)O 9022AJ [0,0,0,0,2,0|1,0,0]=3 131 B5R0.5 O=C([O-])C(=O)O 6896AF [0,0,0,0,2,0|1,0,0]=3 132 B5R0.5 O=C([O-])C(=O)O 6897AF [0,0,0,0,2,0|1,0,0]=3 133 B5R0.5 O=C([O-])C(=O)[O-] 6911AF [0,0,0,0,2,0|1,0,1]=4 134 B5R0.5 O=C([O-])C(=O)[O-] 6912AF [0,0,0,0,2,0|1,0,1]=4 135 B5R0.5 O=C([O-])C(=O)[O-] 6914AF [0,0,0,0,2,0|1,0,1]=4 136 B5R0.5 O=C([O-])C(=O)[O-] 9972AL [0,0,0,0,2,0|1,0,1]=4 137 B5R0.5 O=C([O-])C(=O)[O-] L963 [0,0,0,0,2,0|1,0,1]=4 138 B5R0.5 O=C([O-])C(=O)[O-] X6823 [0,0,0,0,2,0|1,0,1]=4 139 B5R0.5 O=C([O-])C(=O)[O-] Z1768 [0,0,0,0,2,0|1,0,1]=4