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[1,0,0,0,0,0|1,0,0]=2 17 B8R0.28 C=C(C)CCCC(=O)O X3484 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.28 CC(=O)SCCC(=O)O 0636AQ [1,0,0,0,0,0|2,0,0]=3 19 B8R0.28 NC(=O)CCCC(=O)O 8447AD [1,0,0,0,0,0|1,0,0]=2 20 B8R0.28 O=C(O)O[Pt]OC(=O)O 4478AA [1,0,0,0,0,0|3,0,0]=4 21 B10R0.43 CC(C)(CCC(=O)O)[N+](=O)[O-] 0325AE [0,1,0,0,0,0|2,0,1]=4 22 B10R0.43 O=C(O)CCC(F)(F)C(=O)O Z4684 [0,1,0,0,0,0|1,0,0]=2 23 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 3262AB [0,1,0,0,0,0|0,0,0]=1 24 B10R0.82 NCC(O)CCC(N)C(=O)O 4932AH [0,1,0,0,0,0|1,0,1]=3 25 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O X5352 [0,1,0,0,0,0|0,0,0]=1 26 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O 3451AL [0,1,0,0,0,0|1,0,1]=3 27 B10R0.92 NC(CCC(F)(F)F)C(=O)O 5758AH [0,1,0,0,0,0|2,0,1]=4 28 B10R0.92 N[C@@H](COS(=O)(=O)O)C(=O)O 7239AH [0,1,0,0,0,0|2,0,0]=3 29 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)[O-] 3445AL [0,1,0,0,0,0|2,0,1]=4 30 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O 7599AH [0,1,0,0,0,0|2,0,0]=3 31 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O 4049AC [0,1,0,0,0,0|0,0,0]=1 32 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O 2978AF [0,1,0,0,0,0|0,0,0]=1 33 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O 8001AA [0,1,0,0,0,0|0,0,0]=1 34 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O 7034AH [0,1,0,0,0,0|0,0,0]=1 35 B10R1.13 C=C1CCC(C(=O)O)CC1 3628AF [0,0,0,1,0,0|3,0,0]=4 36 B10R1.13 O=C(O)C1CC=C(Br)CC1 V8103 [0,0,0,1,0,0|3,0,0]=4 37 B10R1.349 O=C(O)C1CC(C(=O)O)C1 W7423 [0,0,0,1,0,0|1,0,0]=2 38 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 X9093 [0,0,0,1,0,0|1,0,1]=3 39 B8R0.23 CC(=O)C(C)CC(=O)O 7164AL [0,0,0,0,1,0|2,0,0]=3 40 B8R0.23 CC(=O)N(C)CC(=O)O 6236AE [0,0,0,0,1,0|3,0,0]=4 41 B8R0.23 CC(NC(N)=O)C(=O)O 3202AL [0,0,0,0,1,0|3,0,0]=4 42 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O 9975AA [0,0,0,0,1,0|1,0,1]=3 43 B8R0.23 NC(=O)[C@@H](N)CC(=O)O 6580AH [0,0,0,0,1,0|1,0,0]=2 44 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] V0043 [0,0,0,0,1,0|0,0,2]=3 45 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O Z5845 [0,0,0,0,0,1|1,0,0]=2 46 B7R0.4 CNCCCC(=O)O 2115AA [2,0,0,0,0,0|2,0,0]=4 47 B7R0.4 N#CCCCC(=O)O W5958 [2,0,0,0,0,0|1,0,1]=4 48 B7R0.5 C=CCC(N)C(=O)O 7090AA [2,0,0,0,0,0|0,0,1]=3 49 B7R0.5 CSC[C@H](N)C(=O)O 2067AC [2,0,0,0,0,0|1,0,1]=4 50 B7R0.5 N#CC[C@H](N)C(=O)O V6942 [2,0,0,0,0,0|1,0,1]=4 51 B7R0.5 NC(CCBr)C(=O)O 1883AC [2,0,0,0,0,0|1,0,0]=3 52 B7R0.5 NC(CCBr)C(=O)O E114 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.5 NCCC(N)C(=O)O W7673 [2,0,0,0,0,0|1,0,0]=3 54 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [2,0,0,0,0,0|1,0,0]=3 56 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [2,0,0,0,0,0|1,0,0]=3 57 B7R0.5 N[C@H](CCS)C(=O)O 8982AB [2,0,0,0,0,0|0,1,0]=3 58 B7R0.6 CC(C)CCC(=O)O 9893AB [2,0,0,0,0,0|1,0,1]=4 59 B7R0.6 O=C(O)CC[N+](=O)[O-] 6949AB [2,0,0,0,0,0|2,0,0]=4 60 B9R0.47 C=CCCC[C@H](N)C(=O)O X6419 [1,1,0,0,0,0|1,0,0]=3 61 B9R0.47 C=CCSC[C@H](N)C(=O)O 8961AB [1,1,0,0,0,0|1,0,0]=3 62 B9R0.47 CCSCC[C@H](N)C(=O)O G582 [1,1,0,0,0,0|1,0,1]=4 63 B9R0.1 COC(=O)CCC[N+](=O)[O-] Z9740 [1,1,0,0,0,0|1,0,1]=4 64 B9R0.1 COC(=O)CCNC(C)=O 3347AB [1,1,0,0,0,0|2,0,0]=4 65 B9R0.53 NC(CC(=O)O)CC(=O)O 3938AB [1,1,0,0,0,0|0,0,0]=2 66 B9R0.53 O=C(O)CS(=O)CC(=O)O 0540AE [1,1,0,0,0,0|1,0,0]=3 67 B9R0.56 O=C(O)CCCP(=O)(O)O 6674AL [1,1,0,0,0,0|1,0,0]=3 68 B9R0.11 O=C(O)CC(F)(F)C(=O)O 7677AE [0,1,0,0,1,0|1,0,0]=3 69 B9R0.79 CC(C(=O)O)C(C)C(=O)O X7355 [0,1,0,0,1,0|1,0,0]=3 70 B9R0.79 CC(C(=O)O)C(N)C(=O)O 0243AC [0,1,0,0,1,0|0,0,0]=2 71 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O I074 [0,1,0,0,1,0|1,0,0]=3 72 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O 7228AF [0,1,0,0,1,0|1,0,0]=3 73 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Z7777 [0,1,0,0,1,0|1,0,0]=3 74 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O 1363AH [0,1,0,0,0,1|1,0,0]=3 75 B11R0.92 C[C@@H](OC(=O)CN)[C@H](N)C(=O)O 7993AL [0,2,0,0,0,0|2,0,0]=4 76 B11R0.141 [N-]=[N+]=CC(=O)OC[C@H](N)C(=O)O X6877 [0,2,0,0,0,0|2,0,0]=4 77 B9R1.35 O=C(O)C1CCC(O)C1 0331AA [1,0,0,1,0,0|1,0,1]=4 78 B9R1.35 O=C1C=C(C(=O)O)CC1 Y5171 [1,0,0,1,0,0|1,0,1]=4 79 B9R1.35 O=C1CNC(C(=O)O)C1 0294AB [1,0,0,1,0,0|2,0,0]=4 80 B9R1.69 NC1CCC(=O)NC1=O 1594AB [1,0,0,1,0,0|1,0,0]=3 81 B9R1.69 N[C@H]1CCC(=O)NC1=O 9164AH [1,0,0,1,0,0|1,0,0]=3 82 B9R1.110 NC(C(=O)O)C1CCC1 X5232 [1,0,0,1,0,0|1,0,1]=4 83 B9R1.110 N[C@@H](C(=O)O)C1CCC1 X5301 [1,0,0,1,0,0|1,0,1]=4 84 B9R1.163 CC1(C(=O)O)CCCO1 9217AB [1,0,0,1,0,0|1,0,1]=4 85 B9R1.163 NC1(C(=O)O)CCNC1 Z2697 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.163 NC1(C(=O)O)CCSC1 2158AJ [1,0,0,1,0,0|2,0,0]=4 87 B9R1.163 NC1(C(=O)O)CCSC1 5291AH [1,0,0,1,0,0|2,0,0]=4 88 B9R1.1 O=CC1CCC(=O)CC1 6740AC [1,0,0,1,0,0|2,0,0]=4 89 B9R1.161 O=C(O)C1CC1C(=O)O 7423AA [1,0,0,1,0,0|0,0,0]=2 90 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O 3970AL [1,0,0,1,0,0|1,0,0]=3 91 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O 7217AA [1,0,0,1,0,0|0,0,0]=2 92 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O 7460AL [1,0,0,1,0,0|1,0,0]=3 93 B7R0.2 C=CC(C)CC(=O)O 9796AA [1,0,0,0,1,0|2,0,0]=4 94 B7R0.2 CCC(N)CC(=O)O W4035 [1,0,0,0,1,0|1,0,1]=4 95 B7R0.2 NCC(N)CC(=O)O 5843AA [1,0,0,0,1,0|1,0,1]=4 96 B9R0.55 NC(=O)NCCCC(=O)O 8592AD [1,0,0,0,0,1|1,0,0]=3 97 B9R0.55 O=C(O)CSSCC(=O)O 7220AF [1,0,0,0,0,1|1,0,0]=3 98 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O 7099AH [0,0,0,0,0,2|1,0,0]=3 99 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O F781 [0,0,0,0,0,2|2,0,0]=4 100 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O X6876 [0,0,0,0,0,2|2,0,0]=4