0 B9R0.7 C(CC(=O)O)C(=O)C(=O)O BC206209 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.7 C(CC(=O)O)C(C(=O)O)N BC223742 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.7 C(CC(=O)O)C(C(=O)O)N BC687511 [0,0,0,0,0,0|0,0,0]=0 3 B9R0.7 C(CC(=O)[O-])C(=O)C(=O)[O-] BC209289 [0,0,0,0,0,0|1,0,3]=4 4 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N BC657158 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.7 CC(C)CC[C@@H](C(=O)O)N BC679179 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.7 CC(C)CC[C@H](C(=O)O)N BC679178 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC205409 [1,0,0,0,0,0|1,0,1]=3 8 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC206763 [1,0,0,0,0,0|1,0,1]=3 9 B8R0.8 C(C[C@@H](C(=O)O)N)CN BC206765 [1,0,0,0,0,0|1,0,1]=3 10 B8R0.8 CSCCC(C(=O)O)N BC201484 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.8 CSCC[C@@H](C(=O)N)N BC215117 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.28 C(C(=O)O)NCC(=O)O BC657268 [1,0,0,0,0,0|1,0,0]=2 13 B10R0.57 COC(=O)[C@H](CCC(=O)N)N BC677169 [0,1,0,0,0,0|1,0,0]=2 14 B10R1.13 C1CC(=O)CCC1C(=O)O BC206441 [0,0,0,1,0,0|2,0,0]=3 15 B10R1.13 C1CC(CCC1C(=O)O)O BC200625 [0,0,0,1,0,0|2,0,1]=4 16 B10R1.13 C1[C@@H](CC[C@H](C1)O)C(=O)O BC684720 [0,0,0,1,0,0|2,0,1]=4 17 B10R1.13 C1[C@@H](NCC(=O)N1)C(=O)O BC600027 [0,0,0,1,0,0|2,0,0]=3 18 B10R1.13 C1[C@H](NCC(=O)N1)C(=O)O BC600028 [0,0,0,1,0,0|2,0,0]=3 19 B10R1.13 C1[C@H](NCC(=O)N1)C(=O)O BC600045 [0,0,0,1,0,0|2,0,0]=3 20 B10R1.349 C1C(CC1C(=O)O)C(=O)O BC667349 [0,0,0,1,0,0|1,0,0]=2 21 B8R0.23 C(C(=O)C(=O)O)C(=O)O BC213510 [0,0,0,0,1,0|1,0,1]=3 22 B8R0.23 C([C@@H](C(=O)O)O)C(=O)O BC676689 [0,0,0,0,1,0|1,0,0]=2 23 B8R0.23 C([C@H](C(=O)O)O)C(=O)O BC208474 [0,0,0,0,1,0|1,0,0]=2 24 B8R0.23 CC(=O)CC(C(=O)O)O BC657254 [0,0,0,0,1,0|2,0,0]=3 25 B8R0.23 CC(C)C[C@@H](C(=O)O)N BC201485 [0,0,0,0,1,0|2,0,1]=4 26 B10R0.98 C(C[C@H](C(=O)O)N)CC(=O)O BC275520 [0,0,0,0,0,1|0,0,0]=1 27 B7R0.4 C(CCBr)CC(=O)O BC220689 [2,0,0,0,0,0|1,0,1]=4 28 B7R0.4 C(CCO)CC(=O)[O-] BC621003 [2,0,0,0,0,0|0,0,2]=4 29 B7R0.5 C(CN)[C@@H](C(=O)O)O BC206932 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.5 C(CO)[C@@H](C(=O)O)N BC675299 [2,0,0,0,0,0|0,0,0]=2 31 B7R0.5 C(CO)[C@H](C(=O)O)N BC219582 [2,0,0,0,0,0|0,0,0]=2 32 B7R0.5 C=CC[C@@H](C(=O)O)N BC213753 [2,0,0,0,0,0|0,0,1]=3 33 B7R0.5 COCC(C(=O)O)N BC686174 [2,0,0,0,0,0|1,0,1]=4 34 B7R0.5 COC[C@@H](C(=O)O)N BC679205 [2,0,0,0,0,0|1,0,1]=4 35 B7R0.5 COC[C@H](C(=O)O)N BC679204 [2,0,0,0,0,0|1,0,1]=4 36 B7R0.6 CC(=O)CCC(=O)O BC216409 [2,0,0,0,0,0|1,0,1]=4 37 B9R0.47 C(CC=O)C[C@@H](C(=O)O)N BC205410 [1,1,0,0,0,0|0,0,0]=2 38 B9R0.47 C(CCN)C[C@@H](C(=O)O)N BC677886 [1,1,0,0,0,0|1,0,1]=4 39 B9R0.47 C(CCO)C[C@@H](C(=O)O)N BC676968 [1,1,0,0,0,0|0,0,1]=3 40 B9R0.1 COC(=O)CCCC(=O)Cl BC220631 [1,1,0,0,0,0|1,0,0]=3 41 B9R0.53 C(C(=O)CC(=O)O)C(=O)O BC213438 [1,1,0,0,0,0|0,0,1]=3 42 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O BC640487 [0,1,0,0,1,0|0,0,0]=2 43 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O BC204248 [0,1,0,0,1,0|1,0,0]=3 44 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O BC245627 [0,1,0,0,1,0|1,0,1]=4 45 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O BC682279 [0,1,0,0,1,0|1,0,1]=4 46 B9R0.79 C[C@H]([C@@H](C(=O)O)N)C(C)O BC684916 [0,1,0,0,1,0|1,0,1]=4 47 B9R0.79 [C@@H]([C@@H](C(=O)O)S)(C(=O)O)S BC219408 [0,1,0,0,1,0|1,0,0]=3 48 B9R0.79 [C@@H]([C@H](C(=O)O)O)(C(=O)O)O BC676687 [0,1,0,0,1,0|1,0,0]=3 49 B11R0.120 COC(=O)CC[C@@H](C(=O)OC)N BC215100 [0,2,0,0,0,0|0,0,0]=2 50 B9R1.6 C1CC(CC=C1)C(=O)O BC646428 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.6 C1CCNC(C1)C(=O)O BC200281 [1,0,0,1,0,0|1,0,1]=4 52 B9R1.6 C1CCNC(C1)C(=O)O BC226798 [1,0,0,1,0,0|1,0,1]=4 53 B9R1.6 C1CCN[C@H](C1)C(=O)O BC208985 [1,0,0,1,0,0|1,0,1]=4 54 B9R1.35 C1CC(=O)C=C1C(=O)O BC675996 [1,0,0,1,0,0|1,0,1]=4 55 B9R1.35 C1CC(=O)CC1C(=O)O BC223612 [1,0,0,1,0,0|1,0,0]=3 56 B9R1.35 C1CC(=O)N[C@@H]1C(=O)N BC683023 [1,0,0,1,0,0|1,0,0]=3 57 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O BC689086 [1,0,0,1,0,0|0,0,0]=2 58 B9R1.35 C1CC(=O)N[C@@H]1C(=O)[O-] BC223766 [1,0,0,1,0,0|0,0,1]=3 59 B9R1.35 C1CC(=O)N[C@H]1C(=O)O BC204542 [1,0,0,1,0,0|0,0,0]=2 60 B9R1.35 C1CC(=O)O[C@H]1C(=O)O BC225732 [1,0,0,1,0,0|1,0,0]=3 61 B9R1.35 CC1CC[C@H](N1)C(=O)O BC209434 [1,0,0,1,0,0|1,0,1]=4 62 B9R1.110 C1CC(C1)[C@@H](C(=O)O)N BC225195 [1,0,0,1,0,0|1,0,1]=4 63 B11R1.22 COC(=O)C1CCC(=O)CC1 BC206442 [0,1,0,1,0,0|2,0,0]=4 64 B7R0.2 CC[C@H](CC(=O)O)N BC227919 [1,0,0,0,1,0|1,0,1]=4 65 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O BC676678 [0,0,0,0,2,0|1,0,1]=4 66 B7R0.16 C[C@H]([C@H](C(=O)O)N)O BC678605 [0,0,0,0,2,0|1,0,1]=4 67 B11R0.29 C(CC(C(=O)O)N)CNC(=N)N BC209287 [0,0,0,0,0,2|2,0,0]=4 68 B11R0.29 C(C[C@@H](C(=O)O)N)CNC(=N)N BC204045 [0,0,0,0,0,2|2,0,0]=4 69 B11R0.29 C(C[C@@H](C(=O)O)N)CNC(=O)N BC206764 [0,0,0,0,0,2|1,0,0]=3 70 B11R0.29 C(C[C@H](C(=O)O)N)CN=C(N)N BC204903 [0,0,0,0,0,2|2,0,0]=4 71 B11R0.29 C(C[C@H](C(=O)O)N)CN=C(N)N BC204905 [0,0,0,0,0,2|2,0,0]=4