0 B9R0.47 C(CC(N)C(O)=O)CCN AK-73020 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.47 CCCCCC(N)C(O)=O AK-87757 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.47 CCCCC[C@@H](N)C(O)=O AK106125 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.47 CCCCC[C@H](N)C(O)=O AK106126 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.47 NC(CCCCN)C(O)=O AK-81251 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.47 N[C@@H](CCCCN)C(N)=O AK327278 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.47 N[C@H](CCCCN)C(O)=O AK-23885 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.47 O=C(O)[C@@H](N)CCCCN AK-46553 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.47 O=C(O)[C@@H](N)CCCCN AK101731 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.47 O=C(O)[C@@H](N)CSCC=C AK106112 [0,0,0,0,0,0|0,0,0]=0 10 B9R0.47 O=C(O)[C@H](N)CSCC=C AK106122 [0,0,0,0,0,0|0,0,0]=0 11 B8R0.7 C#CCCCCC(O)=O AK-40047 [1,0,0,0,0,0|1,0,2]=4 12 B8R0.7 O=C(O)CCCCCBr AK-35122 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.7 O=C(O)CCCCCN AK144762 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.7 O=C(O)CCCCCO AK-41893 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.7 OC(=O)CCCCCCl AK-48239 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.8 CC#CC[C@H](N)C(O)=O AK130681 [1,0,0,0,0,0|0,0,3]=4 17 B8R0.8 CCCC[C@@H](N)C(O)=O AK-76426 [1,0,0,0,0,0|0,0,2]=3 18 B8R0.8 CCCC[C@H](N)C(N)=O AK170163 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.8 NC(CCSC)C(O)=O AK-81252 [1,0,0,0,0,0|1,0,1]=3 20 B8R0.8 N[C@@H](CCCC)C(O)=O AK-49687 [1,0,0,0,0,0|0,0,2]=3 21 B8R0.8 N[C@@H](CCCN)C(O)=O AK-46743 [1,0,0,0,0,0|1,0,1]=3 22 B8R0.8 O=C(O)[C@@H](N)CCCN AK-44096 [1,0,0,0,0,0|1,0,1]=3 23 B8R0.8 O=C(O)[C@@H](N)CCSC AK-73057 [1,0,0,0,0,0|1,0,1]=3 24 B8R0.8 O=C(O)[C@@H](N)CC[Se]C AK-81303 [1,0,0,0,0,0|1,0,1]=3 25 B10R0.75 CCCCCCC(N)C(O)=O AK-87750 [0,1,0,0,0,0|1,0,2]=4 26 B10R0.75 CCCCCC[C@H](N)C(O)=O AK-87751 [0,1,0,0,0,0|1,0,2]=4 27 B10R0.75 O=C(O)[C@@H](N)CSCCCO AK-39669 [0,1,0,0,0,0|0,0,2]=3 28 B10R0.83 O=C(OC)[C@@H](N)CCCCN AK-81274 [0,1,0,0,0,0|2,0,1]=4 29 B10R0.83 O=C(OC)[C@H](N)CCCCN AK101735 [0,1,0,0,0,0|2,0,1]=4 30 B10R0.98 O=C(O)[C@H](N)CCCC(O)=O AK-44090 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.23 NC(C(O)=O)C1=CSC=C1 AK-34933 [0,0,0,1,0,0|2,0,1]=4 32 B10R1.23 O=C(O)C(N)C1CCCC1 AK-88092 [0,0,0,1,0,0|1,0,2]=4 33 B10R1.23 O=C(O)[C@@H](N)C1=CSC=C1 AK117277 [0,0,0,1,0,0|2,0,1]=4 34 B10R1.23 O=C(O)[C@@H](N)C1CCCC1 AK-24337 [0,0,0,1,0,0|1,0,2]=4 35 B10R1.23 O=C(O)[C@H](N)C1=CC=CS1 AK162653 [0,0,0,1,0,0|0,0,2]=3 36 B10R1.23 O=C(O)[C@H](N)C1CCCC1 AK-87854 [0,0,0,1,0,0|1,0,2]=4 37 B10R1.113 O=C(C1NC(C)CCC1)O AK-50292 [0,0,0,1,0,0|1,0,2]=4 38 B10R1.113 O=C1N[C@H]([C@@](O)=O)CCC1 AK-44820 [0,0,0,1,0,0|2,0,0]=3 39 B10R1.113 OC(=O)C1CCCC(=O)C1 AK-64002 [0,0,0,1,0,0|3,0,0]=4 40 B7R0.4 C#CCCCC(O)=O AK112298 [2,0,0,0,0,0|0,0,2]=4 41 B7R0.4 C(CCC#N)C(O)=O AK-40359 [2,0,0,0,0,0|1,0,1]=4 42 B7R0.4 COCCCC(O)=O AK-76729 [2,0,0,0,0,0|1,0,1]=4 43 B7R0.4 O=C(O)CCCCBr AK113954 [2,0,0,0,0,0|1,0,1]=4 44 B7R0.4 O=C(O)CCCCCl AK139351 [2,0,0,0,0,0|1,0,1]=4 45 B7R0.4 O=C(O)CCCCO AK198817 [2,0,0,0,0,0|1,0,1]=4 46 B7R0.5 C#CCC(N)C(O)=O AK323755 [2,0,0,0,0,0|0,0,2]=4 47 B7R0.5 C#CC[C@@H](N)C(O)=O AK107685 [2,0,0,0,0,0|0,0,2]=4 48 B7R0.5 C#CC[C@@H](N)C(O)=O AK158803 [2,0,0,0,0,0|0,0,2]=4 49 B7R0.5 C#CC[C@H](N)C(O)=O AK-93444 [2,0,0,0,0,0|0,0,2]=4 50 B7R0.5 C#CC[C@H](N)C(O)=O AK110719 [2,0,0,0,0,0|0,0,2]=4 51 B7R0.5 C=CC[C@@H](N)C(O)=O AK-26105 [2,0,0,0,0,0|0,0,0]=2 52 B7R0.5 C=CC[C@@H](N)C(O)=O AK-70926 [2,0,0,0,0,0|0,0,0]=2 53 B7R0.5 C=CC[C@H](N)C(O)=O AK-49452 [2,0,0,0,0,0|0,0,0]=2 54 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [2,0,0,0,0,0|0,0,1]=3 55 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [2,0,0,0,0,0|1,0,1]=4 56 B7R0.5 COCC(N)C(O)=O AK-87739 [2,0,0,0,0,0|0,1,0]=3 57 B7R0.5 NC(CCO)C(O)=O AK-41514 [2,0,0,0,0,0|1,0,0]=3 58 B7R0.5 N[C@H](C(=O)O)COC AK-51321 [2,0,0,0,0,0|0,1,0]=3 59 B7R0.5 O=C(O)C(N)CCN AK-44002 [2,0,0,0,0,0|1,0,0]=3 60 B7R0.5 O=C(O)C(O)CCN AK-75839 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.5 O=C(O)[C@@H](N)CCN AK-30471 [2,0,0,0,0,0|1,0,0]=3 62 B7R0.5 O=C(O)[C@@H](N)COC AK111305 [2,0,0,0,0,0|0,1,0]=3 63 B7R0.5 O=C(O)[C@@H](O)CCN AK-25383 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.5 O=C(O)[C@H](N)CCO AK-27028 [2,0,0,0,0,0|1,0,0]=3 65 B7R0.5 O=C(O)[C@H](N)COC AK-26369 [2,0,0,0,0,0|0,1,0]=3 66 B7R0.5 O=C(O)[C@H](N)COC AK-77409 [2,0,0,0,0,0|0,1,0]=3 67 B7R0.5 [C@@H](C(=O)O)(CCO)N AK-23908 [2,0,0,0,0,0|1,0,0]=3 68 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [2,0,0,0,0,0|0,0,1]=3 69 B7R0.5 [C@H](N)(CSC)C(O)=O AK-44172 [2,0,0,0,0,0|0,0,0]=2 70 B9R0.2 C=CCCCCCC(O)=O AK164507 [1,1,0,0,0,0|1,0,0]=3 71 B9R0.55 CC(=O)CCCCC(O)=O AK-48369 [1,1,0,0,0,0|1,0,1]=4 72 B9R0.7 C(C(C(O)=O)N)CC(N)=O AK-44182 [1,1,0,0,0,0|1,0,0]=3 73 B9R0.7 NC(CCC(O)=O)C(O)=O AK-44032 [1,1,0,0,0,0|1,0,0]=3 74 B9R0.7 N[C@@H](CCC(N)=O)C(O)=O AK-81265 [1,1,0,0,0,0|1,0,0]=3 75 B9R0.7 N[C@H](CCC(N)=O)C(O)=O AK-44181 [1,1,0,0,0,0|1,0,0]=3 76 B9R0.7 O=C(O)[C@@H](N)CCC(O)=O AK-44364 [1,1,0,0,0,0|1,0,0]=3 77 B9R0.7 O=C(O)[C@@H](N)CCS(C)=O AK-78295 [1,1,0,0,0,0|1,0,1]=4 78 B9R0.7 O=C(O)[C@@H](N)COC(C)=O AK124368 [1,1,0,0,0,0|0,1,1]=4 79 B9R0.7 O=C(O)[C@H](N)CCC(O)=O AK-47369 [1,1,0,0,0,0|1,0,0]=3 80 B9R0.7 [C@H](N)(CCC(C)C)C(O)=O AK-34655 [1,1,0,0,0,0|0,0,2]=4 81 B11R0.29 NC(CCCNC(N)=N)C(O)=O AK-51498 [0,2,0,0,0,0|2,0,0]=4 82 B11R0.29 N[C@@H](CCCNC(N)=N)C(O)=O AK-93465 [0,2,0,0,0,0|2,0,0]=4 83 B11R0.29 N[C@@H](CCCNC(N)=O)C(O)=O AK-48333 [0,2,0,0,0,0|2,0,0]=4 84 B11R0.29 N[C@@H](CCCNC(N)=O)C(O)=O AK-81236 [0,2,0,0,0,0|2,0,0]=4 85 B11R0.29 N[C@H](CCCNC(N)=N)C(O)=O AK-51505 [0,2,0,0,0,0|2,0,0]=4 86 B11R0.29 O=C(O)[C@@H](N)CCCNC(N)=N AK-41632 [0,2,0,0,0,0|2,0,0]=4 87 B11R0.29 O=C(O)[C@@H](N)CCCNC(N)=N AK-81231 [0,2,0,0,0,0|2,0,0]=4 88 B11R0.29 O=C(O)[C@@H](N)CCCNC(N)=N AK-93418 [0,2,0,0,0,0|2,0,0]=4 89 B11R0.29 O=C(O)[C@@H](N)CSCCB(O)O AK668246 [0,2,0,0,0,0|1,0,1]=4 90 B11R0.29 O=C(O)[C@H](N)CCCNC(N)=N AK-54078 [0,2,0,0,0,0|2,0,0]=4 91 B9R1.35 O=C(C1CCC(N1)=O)O AK-41431 [1,0,0,1,0,0|1,0,0]=3 92 B9R1.35 O=C(C1CCC(O1)=O)O AK154758 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.35 O=C([C@@H]1CC(CC1)=O)O AK100868 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.35 O=C([C@@H]1CCC(N1)=O)O AK-61177 [1,0,0,1,0,0|1,0,0]=3 95 B9R1.35 O=C([C@H]1CC(CC1)=O)O AK-99964 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.35 O=C([C@H]1CCC(N1)=O)O AK-46027 [1,0,0,1,0,0|1,0,0]=3 97 B9R1.35 O=C([C@H]1CCC(O1)=O)O AK-39191 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.35 O=C([C@H]1NC(SC1)=O)O AK-30315 [1,0,0,1,0,0|1,0,0]=3 99 B9R1.35 O=C1CC(CC1)C(=O)O AK-31826 [1,0,0,1,0,0|2,0,0]=4 100 B9R1.69 C1C(N)C(=O)NC(=O)C1 AK-46561 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.110 NC(C1CCC1)C(O)=O AK-88091 [1,0,0,1,0,0|0,0,2]=4 102 B9R1.112 O=C(O)[C@@H](N)CC1CC1 AK-46409 [1,0,0,1,0,0|0,0,2]=4 103 B9R1.112 O=C(O)[C@H](N)CC1CC1 AK-44500 [1,0,0,1,0,0|0,0,2]=4 104 B9R1.163 O=C(C1(CCCC1)N)O AK-29341 [1,0,0,1,0,0|0,0,2]=4 105 B11R1.77 O=C(O)C[C@@H](N)C1=CC=CS1 AK115437 [0,0,0,1,0,1|0,0,2]=4 106 B11R1.35 N[C@@H](CC1=CNC=N1)C(O)=O AK-81267 [0,1,0,1,0,0|2,0,0]=4 107 B11R1.35 O=C(O)C(N)CC1=CN=CS1 AK683578 [0,1,0,1,0,0|1,0,1]=4 108 B11R1.35 O=C(O)[C@@H](N)CC1=CC=CS1 AK-91723 [0,1,0,1,0,0|0,0,1]=3 109 B11R1.35 O=C(O)[C@@H](N)CC1=CNC=N1 AK114060 [0,1,0,1,0,0|2,0,0]=4 110 B11R1.35 O=C(O)[C@@H](N)CC1=CNC=N1 AK544994 [0,1,0,1,0,0|2,0,0]=4 111 B11R1.35 O=C(O)[C@H](N)CC1=CC=CO1 AK112811 [0,1,0,1,0,0|0,1,1]=4 112 B11R1.35 O=C(O)[C@H](N)CC1=CNC=N1 AK-54076 [0,1,0,1,0,0|2,0,0]=4 113 B11R2.845 O=C(C1C2CC(C1)C=C2)O AK-72985 [0,0,0,2,0,0|2,0,0]=4