0 B8R0.37 CC(C)(C(=O)O)C(F)F AT13772 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.37 CC(O)(C(=O)O)C(=O)O AT23393 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.37 CC(O)C(C)(N)C(=O)O AT25333 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O CX1253 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O D75477 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.37 C[C@H](O)[C@](C)(N)C(=O)O AT25345 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.37 C[C@H](O)[C@](C)(N)C(=O)O AT25346 [0,0,0,0,0,0|1,0,2]=3 7 B8R0.37 [2H][C@@](N)(C(=O)O)C(C)C D99110 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.13 CC[C@](C)(O)C(=O)O D78566 [1,0,0,0,0,0|0,0,1]=2 9 B7R0.13 C[C@](N)(CS)C(=O)O 70246 [1,0,0,0,0,0|1,1,1]=4 10 B7R0.13 C[C@](O)(CBr)C(=O)O 90571 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.13 C[C@](O)(CO)C(=O)O A10743 [1,0,0,0,0,0|0,0,2]=3 12 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O AT23378 [1,0,0,0,0,0|0,0,2]=3 13 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O 41455 [1,0,0,0,0,0|1,0,2]=4 14 B7R0.16 C[C@H](F)[C@H](N)C(=O)O E73061 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.16 C[C@H](N)[C@@H](C)C(=O)O 75053 [1,0,0,0,0,0|1,0,1]=3 16 B9R0.28 C=C(Cl)C(C)(C)C(=O)OC 20684 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.80 CC(C)(C)C(C)(C)C(=O)O D76400 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.80 CC(C)(N)C(C)(C)C(=O)O E73422 [0,1,0,0,0,0|2,0,1]=4 19 B9R1.168 CC(C)C1(C(=O)O)CC1 AT12380 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.169 CC1(C)C[C@@]1(N)C(=O)O AT12985 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.169 CC1(C)C[C@@]1(O)C(=O)O AT22983 [0,0,0,1,0,0|1,0,1]=3 22 B9R0.11 CN(C)C[C@](C)(N)C(=O)O AT25501 [0,0,0,0,0,1|3,0,0]=4 23 B9R0.11 C[C@](N)(CC(N)=O)C(=O)O F15993 [0,0,0,0,0,1|2,0,0]=3 24 B6R0.3 C#C[C@@H](O)C(=O)O T72410 [2,0,0,0,0,0|0,0,2]=4 25 B6R0.7 [2H][C@@](C)(N)C(=O)O D98482 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.7 [2H][C@@](C)(N)C(=O)O D99309 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.7 [2H][C@@](C)(O)C(=O)[O-] D99583 [2,0,0,0,0,0|1,0,1]=4 28 B6R0.2 C=C(I)CC(=O)O E73427 [2,0,0,0,0,0|1,0,1]=4 29 B8R0.12 CCC[C@](C)(N)C(=O)O AT19790 [1,1,0,0,0,0|1,0,1]=4 30 B8R0.13 COC(=O)[C@@](C)(N)CO AT18253 [1,1,0,0,0,0|1,0,1]=4 31 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O D76826 [1,1,0,0,0,0|1,0,1]=4 32 B8R0.2 COC(=O)[C@@H](C)[C@H](C)N 75023 [1,1,0,0,0,0|1,0,1]=4 33 B10R0.141 COC(=O)C(C)(C)CC(C)=O AC9822 [0,1,0,0,0,1|1,0,0]=3 34 B8R1.19 C[C@]1(O)CCNC1=O 94941 [1,0,0,1,0,0|1,0,1]=4 35 B8R1.30 CC1CC1(C)C(=O)O W16204 [1,0,0,1,0,0|1,0,1]=4 36 B8R1.63 O=CC1(C(=O)O)CC1 AT12375 [1,0,0,1,0,0|1,0,0]=3 37 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94393 [1,0,0,1,0,0|1,0,1]=4 38 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94399 [1,0,0,1,0,0|1,0,1]=4 39 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94401 [1,0,0,1,0,0|1,0,1]=4 40 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P12531 [1,0,0,1,0,0|1,0,1]=4 41 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P14183 [1,0,0,1,0,0|1,0,1]=4 42 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P12530 [1,0,0,1,0,0|1,0,1]=4 43 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P14693 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94392 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94395 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94397 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.31 O=C(O)C1CCC1O D74978 [1,0,0,1,0,0|0,0,2]=4 48 B8R1.31 O=C(O)[C@@H]1CCC1=O 54673 [1,0,0,1,0,0|0,0,0]=2 49 B8R1.31 O=C(O)[C@@H]1CNC1=O D72827 [1,0,0,1,0,0|1,0,0]=3 50 B8R1.54 O=C(O)[C@@H](O)C1CC1 AT24777 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.54 O=C(O)[C@@H](O)C1CC1 E73379 [1,0,0,1,0,0|1,0,1]=4 52 B10R1.120 CC1(C)NC(=O)CNC1=O D72767 [0,0,0,1,0,1|2,0,0]=4 53 B10R1.470 C[C@@]1(C(=O)O)CCC(=O)N1 AT26434 [0,0,0,1,0,1|1,0,0]=3 54 B10R2.422 O=C1CNC(=O)C12CC2 D73523 [0,0,0,2,0,0|2,0,0]=4 55 B8R0.34 CC(=O)OC(C)(C)CO C90621 [1,0,0,0,0,1|1,0,1]=4 56 B8R0.23 O=C(O)C[C@H](S)C(=O)O I11663 [1,0,0,0,0,1|1,1,0]=4 57 B8R0.23 O=C(O)[C@@H](O)C[N+](=O)[O-] 50048 [1,0,0,0,0,1|2,0,0]=4 58 B10R0.43 C[C@](N)(CCC(=O)O)C(=O)O AT19340 [0,0,0,0,0,2|2,0,0]=4 59 B10R0.43 C[C@](N)(CCC(=O)O)C(=O)O AT19343 [0,0,0,0,0,2|2,0,0]=4