0 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50387 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50388 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50389 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.7 N=C(N)NC[C@H](N)C(=O)O AC4354 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.7 O=C(O)CC[C@H](O)C(=O)O FD21404 [0,0,0,0,0,0|1,0,0]=1 5 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(=O)O 41401 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.8 C=CCC[C@H](N)C(=O)O AT23573 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.8 C=CCC[C@H](N)C(=O)O AT23574 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.8 CC#CC[C@H](N)C(=O)O C15512 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.8 CCCC[C@H](N)C(N)=O S11604 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.8 CCOC[C@H](N)C(=O)O AT12801 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.28 CC(=O)CCCC(C)=O AC9369 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.28 CN(C)CCCC(=O)O A11102 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.28 NC(=O)NCCC(=O)O A12540 [1,0,0,0,0,0|2,0,0]=3 14 B10R0.12 N[C@@H](CCC(=O)O)C(F)(F)F 52476 [0,1,0,0,0,0|2,0,1]=4 15 B10R0.43 CC(=O)NCC(C)(C)C(=O)O W18327 [0,1,0,0,0,0|3,0,0]=4 16 B10R0.82 CNC(=O)CC[C@H](N)C(=O)O AC6186 [0,1,0,0,0,0|1,0,0]=2 17 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 43932 [0,1,0,0,0,0|0,0,0]=1 18 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O 74100 [0,1,0,0,0,0|2,0,0]=3 19 B10R0.92 CS(=O)(=O)CC[C@H](O)C(=O)O 43973 [0,1,0,0,0,0|2,0,1]=4 20 B10R0.92 N[C@@H](CCC(F)(F)F)C(=O)O 96817 [0,1,0,0,0,0|2,0,1]=4 21 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O F11017 [0,1,0,0,0,0|2,0,0]=3 22 B10R0.93 CC(CC(C)C(=O)O)C(=O)O AC5543 [0,1,0,0,0,0|1,0,0]=2 23 B10R0.93 NC(CC(F)C(=O)O)C(=O)O D87862 [0,1,0,0,0,0|0,0,0]=1 24 B10R1.13 CC(=O)C1CCC(=O)CC1 F53160 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 P10634 [0,0,0,1,0,0|1,0,0]=2 26 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 74997 [0,0,0,1,0,0|2,0,0]=3 27 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 C73109 [0,0,0,1,0,0|2,0,0]=3 28 B10R1.359 CC1(C)CC[C@@H](C(=O)O)N1 AT23798 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.470 C[C@@]1(C(=O)O)CNC(=O)C1 AT19127 [0,0,0,1,0,0|3,0,0]=4 30 B8R0.23 CN(C)C[C@H](N)C(=O)O 51291 [0,0,0,0,1,0|3,0,0]=4 31 B8R0.23 CN(C)C[C@H](N)C(=O)O D75181 [0,0,0,0,1,0|3,0,0]=4 32 B8R0.23 C[C@H](NC(N)=O)C(=O)O AT23076 [0,0,0,0,1,0|3,0,0]=4 33 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O AC8171 [0,0,0,0,1,0|1,0,1]=3 34 B8R0.23 NC(=O)[C@@H](N)CC(=O)O FD21180 [0,0,0,0,1,0|1,0,0]=2 35 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] C15723 [0,0,0,0,1,0|0,0,1]=2 36 B8R0.23 N[C@@H](CC(F)F)C(=O)O F53560 [0,0,0,0,1,0|2,0,1]=4 37 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 12185 [0,0,0,0,1,0|1,0,0]=2 38 B8R0.23 O=C(O)C[C@H](F)C(=O)O AC5755 [0,0,0,0,1,0|1,0,0]=2 39 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(=O)O 41391 [0,0,0,0,1,0|1,0,0]=2 40 B8R0.23 [15NH2][C@@H](CC(=O)O)C(=O)O 41415 [0,0,0,0,1,0|0,0,0]=1 41 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O FD10136 [0,0,0,0,0,1|1,0,0]=2 42 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O FD10137 [0,0,0,0,0,1|1,0,0]=2 43 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O FD10301 [0,0,0,0,0,1|1,0,0]=2 44 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O F12352 [0,0,0,0,0,1|0,0,0]=1 45 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O FD10280 [0,0,0,0,0,1|0,0,0]=1 46 B10R0.98 CN(C)CCC[C@H](N)C(=O)O F14408 [0,0,0,0,0,1|3,0,0]=4 47 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O AC1615 [0,0,0,0,0,1|1,0,0]=2 48 B7R0.4 C=CCOCC(=O)O D77063 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.5 CNC[C@H](N)C(=O)O 88602 [2,0,0,0,0,0|1,0,1]=4 50 B7R0.5 C[Se]C[C@H](N)C(=O)O C16524 [2,0,0,0,0,0|1,0,1]=4 51 B7R0.5 NCC[C@H](F)C(=O)O F19724 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.5 NCC[C@H](N)C(=O)O F10323 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.6 C=C(Br)CCC(=O)O C11119 [2,0,0,0,0,0|1,0,1]=4 54 B9R0.8 C=CCC[C@H](N)C(=O)OC AT15758 [1,1,0,0,0,0|1,0,0]=3 55 B9R0.13 CCCC[C@H](NC)C(=O)O AT16731 [1,1,0,0,0,0|1,0,1]=4 56 B9R0.13 CCCC[C@H](NC)C(=O)O C15089 [1,1,0,0,0,0|1,0,1]=4 57 B9R0.47 NCCCC[C@H]([15NH2])C(=O)O D98677 [1,1,0,0,0,0|1,0,1]=4 58 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O C70032 [1,1,0,0,0,0|2,0,0]=4 59 B9R0.51 [2H][C@](N)(CCSC)C(=O)O D97873 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.56 CS(=O)(=O)CCCC(=O)O AT13642 [1,1,0,0,0,0|1,0,1]=4 61 B9R0.56 O=C(O)CCCP(=O)(O)O T72478 [1,1,0,0,0,0|1,0,0]=3 62 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O AT23394 [0,1,0,0,1,0|1,0,0]=3 63 B9R0.11 O=C(O)CC(F)(F)C(=O)O AT12559 [0,1,0,0,1,0|1,0,0]=3 64 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O 56271 [0,1,0,0,1,0|1,0,0]=3 65 B11R0.120 COC(=O)CC[C@H](C)C(=O)OC T71529 [0,2,0,0,0,0|1,0,0]=3 66 B11R0.120 COC(=O)CC[C@H](O)C(=O)OC W17109 [0,2,0,0,0,0|1,0,0]=3 67 B9R1.6 O=C(O)[C@@H]1CCCNN1 50467 [1,0,0,1,0,0|1,0,1]=4 68 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53665 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT11433 [1,0,0,1,0,0|1,0,1]=4 70 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P15832 [1,0,0,1,0,0|2,0,0]=4 71 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 W19722 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.35 O=C1N[C@H](C(=O)O)CO1 93866 [1,0,0,1,0,0|1,0,0]=3 73 B9R1.69 N[C@H]1CCC(=O)NC1=O AC9237 [1,0,0,1,0,0|1,0,0]=3 74 B9R1.110 N[C@H](C(=O)O)C1CCC1 F51887 [1,0,0,1,0,0|1,0,1]=4 75 B9R1.163 N[C@@]1(C(=O)O)CCNC1 F19622 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.125 C[C@@]1(C=O)CCC(=O)N1 P15163 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.53 O=C(O)C[C@H]1CC(=O)N1 AT19045 [1,0,0,1,0,0|1,0,0]=3 78 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O P18271 [1,0,0,1,0,0|0,0,0]=2 79 B9R1.152 O=C1CC(F)(C(=O)O)C1 F53583 [0,0,0,1,1,0|2,0,0]=4 80 B11R1.175 CC(=O)N1CC[C@H](C(=O)O)C1 C78417 [0,0,0,1,0,1|2,0,0]=4 81 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)C1 C16422 [0,0,0,1,0,1|1,0,0]=3 82 B11R1.314 CC(C(=O)O)C1CCC(=O)N1 AT19054 [0,0,0,1,0,1|2,0,0]=4 83 B11R1.166 CC1CC(=O)CCC1C(=O)O AT19934 [0,1,0,1,0,0|2,0,0]=4 84 B11R1.22 COC(=O)C1CCC(O)CN1 F30865 [0,1,0,1,0,0|1,0,1]=4 85 B11R1.849 COC(=O)[C@H]1C[C@@H]1CC(=O)O AT10295 [0,1,0,1,0,0|1,0,0]=3 86 B11R1.849 COC(=O)[C@H]1C[C@@H]1CC(=O)O F50589 [0,1,0,1,0,0|1,0,0]=3 87 B7R0.2 N[C@H](CO)CC(=O)O FD10277 [1,0,0,0,1,0|0,0,1]=3 88 B7R0.2 N[C@H](CO)CC(=O)O FD10309 [1,0,0,0,1,0|0,0,1]=3 89 B7R0.16 C=C(C)[C@H](N)C(=O)O N10436 [0,0,0,0,2,0|2,0,0]=4 90 B9R0.4 CCCC[C@H](N)CC(=O)O N14199 [1,0,0,0,0,1|1,0,1]=4 91 B9R0.4 CCCC[C@H](N)CC(=O)O N14200 [1,0,0,0,0,1|1,0,1]=4 92 B9R0.55 O=C(O)CCCC[13C](=O)O D98793 [1,0,0,0,0,1|0,0,0]=2