0 B7R0.6 C(NC(C)=O)C(=O)O A1250 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.4 CC\C=C\C(=N)N P16911 [1,0,0,0,0,0|2,0,0]=3 2 B6R0.4 NCCCC(=O)O A19243 [1,0,0,0,0,0|1,0,2]=4 3 B8R0.23 CC(C)C[C@@H](N)C(=O)O L2808 [0,1,0,0,0,0|0,0,2]=3 4 B8R0.23 CC(C)C[C@@H](O)C(=O)O H12699 [0,1,0,0,0,0|0,0,2]=3 5 B8R0.23 CC(C)C[C@H](N)C(=O)O L0932 [0,1,0,0,0,0|0,0,2]=3 6 B8R0.23 CC(C)C[C@H](N)C(=O)O L0932 [0,1,0,0,0,0|0,0,2]=3 7 B8R0.29 CC(C)(C)[NH2+]CC(=O)Cl B12779 [0,1,0,0,0,0|2,0,1]=4 8 B8R0.29 CC(C)(C)[NH2+]CC(=O)O B13229 [0,1,0,0,0,0|1,0,1]=3 9 B8R0.29 CC(C)(N)CNC(N)=O A17904 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.29 CC(C)(N)CNC(N)=O A17905 [0,1,0,0,0,0|2,0,1]=4 11 B8R1.3 CC1=CN=C(O)C=C1 H11434 [0,0,0,1,0,0|1,0,2]=4 12 B8R1.77 CC1(C)CC1C(=O)O D2248 [0,0,0,1,0,0|0,0,2]=3 13 B8R1.77 CC1(C)C[C@@H]1C(=O)O T7829 [0,0,0,1,0,0|0,0,2]=3 14 B8R1.77 CC1(C)C[C@@H]1C(N)=O D2247 [0,0,0,1,0,0|1,0,2]=4 15 B6R0.2 C(C(=O)O)N(C)C D18801 [0,0,0,0,1,0|1,0,1]=3 16 B6R0.2 CC(C)=CC(=O)O D18784 [0,0,0,0,1,0|0,0,1]=2 17 B6R0.2 CC(C)CC(=N)N M13844 [0,0,0,0,1,0|2,0,1]=4 18 B5R0.1 CCCC(=O)O B18853 [2,0,0,0,0,0|0,0,1]=3 19 B5R0.1 CNCC(=O)O S18803 [2,0,0,0,0,0|1,0,1]=4 20 B7R0.2 CCC(N)CC(=O)O A14449 [1,1,0,0,0,0|0,0,2]=4 21 B7R0.2 CCC(N)CC(=O)O A18198 [1,1,0,0,0,0|0,0,2]=4 22 B7R0.2 CC[C@@H](N)CC(=O)O A18229 [1,1,0,0,0,0|0,0,2]=4 23 B7R0.2 CC[C@H](C)CC(=O)O M13871 [1,1,0,0,0,0|0,0,2]=4 24 B7R0.3 COC(=O)\C=C\CBr M1565 [1,1,0,0,0,0|1,0,0]=3 25 B7R0.4 CCO\C=C\C(=N)N E16866 [1,1,0,0,0,0|2,0,0]=4 26 B7R0.5 CCCC(N)C(=O)O N4933 [1,1,0,0,0,0|0,0,2]=4 27 B7R0.5 CCC[C@@H](N)C(=O)O N11127 [1,1,0,0,0,0|0,0,2]=4 28 B7R0.5 CCC[C@H](N)C(=O)O N11126 [1,1,0,0,0,0|0,0,2]=4 29 B7R0.5 CCC[C@H](N)C(=O)O N11126 [1,1,0,0,0,0|0,0,2]=4 30 B7R0.9 CC(C)(C)CC(=O)O B0283 [0,1,0,0,1,0|0,0,1]=3 31 B7R0.9 CC(C)(C)OC(N)=O B14424 [0,1,0,0,1,0|2,0,0]=4 32 B7R0.9 CC(C)(N)CC(=O)O A17650 [0,1,0,0,1,0|0,0,1]=3 33 B7R0.16 CC(C)[C@@H](Br)C(=O)O B8237 [0,1,0,0,1,0|0,0,1]=3 34 B7R0.16 CC(C)[C@@H](N)C(=O)O V6098 [0,1,0,0,1,0|0,0,1]=3 35 B7R0.16 CC(C)[C@H](Br)C(=O)O B8238 [0,1,0,0,1,0|0,0,1]=3 36 B7R0.16 CC(C)[C@H](O)C(=O)O H12825 [0,1,0,0,1,0|0,0,1]=3 37 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A0398 [0,1,0,0,1,0|1,0,1]=4 38 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O T0933 [0,1,0,0,1,0|1,0,1]=4 39 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O T0397 [0,1,0,0,1,0|1,0,1]=4 40 B9R0.7 CC(S)C(=O)NCC(=O)O T3176 [0,1,0,0,0,1|1,0,1]=4 41 B9R0.7 CC(S)C(=O)NCC(=O)O T3176 [0,1,0,0,0,1|1,0,1]=4 42 B9R0.53 CC(C)C[C@@H](N)CC(=O)O A18230 [0,1,0,0,0,1|0,0,2]=4 43 B9R0.53 CC(C)C[C@@H](N)CC(=O)O A18231 [0,1,0,0,0,1|0,0,2]=4 44 B9R0.53 C\C(N)=C\C(=O)OC(C)C I1588 [0,1,0,0,0,1|2,0,0]=4 45 B9R0.21 CC(C)(C)NCC(=O)O[Na] B12689 [0,2,0,0,0,0|1,0,1]=4 46 B9R0.23 CC(C)CC(=O)C(=O)O[Na] K12664 [0,2,0,0,0,0|0,0,1]=3 47 B9R0.23 COC(=O)[C@@H](N)CC(C)C L5534 [0,2,0,0,0,0|0,0,2]=4 48 B9R0.23 COC(=O)[C@H](N)CC(C)C H8262 [0,2,0,0,0,0|0,0,2]=4 49 B9R0.43 COC(\C=C\C(=O)O)OC D14793 [0,2,0,0,0,0|0,0,0]=2 50 B9R0.48 CCOC(=O)\C=C\C(=O)O F0286 [0,2,0,0,0,0|1,0,1]=4 51 B9R0.48 CCOC(=O)\C=C\N(C)C E12533 [0,2,0,0,0,0|1,0,0]=3 52 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O A16691 [0,2,0,0,0,0|0,0,2]=4 53 B7R1.3 O=C1C=CCCC1 C17765 [1,0,0,1,0,0|1,0,0]=3 54 B7R1.18 O=C(O)C1CCN1 A19377 [1,0,0,1,0,0|1,0,1]=4 55 B7R1.18 O=C(O)[C@@H]1CCN1 A17680 [1,0,0,1,0,0|1,0,1]=4 56 B7R1.18 O=C(O)[C@@H]1CCN1 A5102 [1,0,0,1,0,0|1,0,1]=4 57 B7R1.18 O=C(O)[C@@H]1CCN1 A5102 [1,0,0,1,0,0|1,0,1]=4 58 B7R1.18 O=C(O)[C@H]1CCN1 A7252 [1,0,0,1,0,0|1,0,1]=4 59 B7R1.20 O=C(O)CC1CC1 C2235 [1,0,0,1,0,0|0,0,2]=4 60 B9R1.35 CC1=CC(C(=O)O)=CN1 M16417 [0,0,0,1,0,1|0,0,2]=4 61 B9R1.35 CC1=CC(C(=O)O)=CN1 M16417 [0,0,0,1,0,1|0,0,2]=4 62 B9R1.35 CC1=CSC(C(C)C)=N1 I0640 [0,0,0,1,0,1|2,0,0]=4 63 B9R1.35 CC1=NC=C(C(=O)O)S1 M15609 [0,0,0,1,0,1|1,0,1]=4 64 B9R1.35 CC1CNC(C(=O)O)C1 M7325 [0,0,0,1,0,1|0,0,2]=4 65 B9R1.38 CC1(C)NC(=O)NC1=O D4991 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.38 CC1(C)OC(=O)NC1=O D5670 [0,1,0,1,0,0|1,0,0]=3 67 B9R1.38 CC1(C)OC(=O)NC1=O D5670 [0,1,0,1,0,0|1,0,0]=3 68 B9R1.112 N[C@@H](CC1CC1)C(=O)O L11123 [0,1,0,1,0,0|0,0,2]=4 69 B5R0.5 CC(=O)C(C)O A1243 [0,0,0,0,2,0|2,0,0]=4 70 B5R0.5 CC(Br)C(=O)O B18872 [0,0,0,0,2,0|1,0,0]=3 71 B5R0.5 CC(C)C(=N)N M12995 [0,0,0,0,2,0|2,0,0]=4 72 B5R0.5 CC(C)C(N)=O I11048 [0,0,0,0,2,0|1,0,0]=3 73 B5R0.5 CC(Cl)C(=O)Cl C18873 [0,0,0,0,2,0|2,0,0]=4 74 B5R0.5 C[C@@H](Cl)C(=O)O C6128 [0,0,0,0,2,0|1,0,0]=3 75 B5R0.5 C[C@@H](N)C(=O)O A6086 [0,0,0,0,2,0|1,0,0]=3 76 B5R0.5 C[C@H](Cl)C(=O)O C4804 [0,0,0,0,2,0|1,0,0]=3 77 B5R0.5 C[C@H](N)C(N)=O A6327 [0,0,0,0,2,0|2,0,0]=4