0 B9R0.7 C=C(C)C(=O)NCC(=O)O 1598AB [0,0,0,0,0,0|3,0,0]=3 1 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O 7119AH [0,0,0,0,0,0|3,0,1]=4 2 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O K790 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.7 CC(C)C(=O)NCC(=O)O 8005AA [0,0,0,0,0,0|3,0,1]=4 4 B9R0.7 CC(C)CNC(=O)C(=O)O 9215AE [0,0,0,0,0,0|3,0,1]=4 5 B9R0.7 CC(NCC(=O)O)C(=O)O 0376AE [0,0,0,0,0,0|2,0,1]=3 6 B9R0.7 CN(C)C(=O)NCC(=O)O 8291AC [0,0,0,0,0,0|4,0,0]=4 7 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O 4199AL [0,0,0,0,0,0|1,0,1]=2 8 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O 7104AH [0,0,0,0,0,0|3,0,1]=4 9 B9R0.7 NC(=O)[C@H](N)CCC(=O)O V4088 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] 1871AB [0,0,0,0,0,0|1,0,2]=3 11 B9R0.7 O=C(O)CCC(F)=C(F)F 8684AC [0,0,0,0,0,0|3,0,0]=3 12 B9R0.7 O=C(O)CNC(=O)C(=O)O 4958AE [0,0,0,0,0,0|1,0,0]=1 13 B8R0.8 CCCNC(=O)C(=O)O 0106AF [1,0,0,0,0,0|2,0,1]=4 14 B8R0.9 C=CC(N)CCC(=O)O SYN5658 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.9 CCC(=O)CCC(=O)O 8820AC [1,0,0,0,0,0|1,0,1]=3 16 B8R0.9 CCC(=O)CCC(C)=O 8738AA [1,0,0,0,0,0|2,0,1]=4 17 B8R0.9 CCS(=O)CCC(=O)O 4032AD [1,0,0,0,0,0|2,0,1]=4 18 B8R0.28 C=C(C)CCCC(=O)O X3484 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.28 CC(=O)SCCC(=O)O 0636AQ [1,0,0,0,0,0|2,0,0]=3 20 B8R0.28 NC(=O)CCCC(=O)O 8447AD [1,0,0,0,0,0|1,0,1]=3 21 B8R0.28 O=C(O)O[Pt]OC(=O)O 4478AA [1,0,0,0,0,0|3,0,0]=4 22 B10R0.12 CC(C)(C)C(=O)CCC(=O)O 5981AE [0,1,0,0,0,0|2,0,1]=4 23 B10R0.43 O=C(O)CCC(F)(F)C(=O)O Z4684 [0,1,0,0,0,0|1,0,1]=3 24 B10R0.57 C\C=C(/C)C(=O)NCC(=O)O 8681AL [0,1,0,0,0,0|3,0,0]=4 25 B10R0.57 N[C@@H](CO)C(=O)NCC(=O)O 7242AH [0,1,0,0,0,0|2,0,1]=4 26 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 3262AB [0,1,0,0,0,0|1,0,1]=3 27 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O X5352 [0,1,0,0,0,0|1,0,1]=3 28 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O 4049AC [0,1,0,0,0,0|1,0,1]=3 29 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O 2978AF [0,1,0,0,0,0|1,0,1]=3 30 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O 8001AA [0,1,0,0,0,0|1,0,1]=3 31 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O 7034AH [0,1,0,0,0,0|0,0,2]=3 32 B10R1.349 O=C(O)C1CC(C(=O)O)C1 W7423 [0,0,0,1,0,0|1,0,1]=3 33 B8R0.23 CC(=O)C(C)CC(=O)O 7164AL [0,0,0,0,1,0|2,0,1]=4 34 B8R0.23 CC(=O)N(C)CC(=O)O 6236AE [0,0,0,0,1,0|3,0,0]=4 35 B8R0.23 CC(C)CC(=O)C(=O)O 2659AC [0,0,0,0,1,0|2,0,1]=4 36 B8R0.23 NC(=O)[C@@H](N)CC(=O)O 6580AH [0,0,0,0,1,0|2,0,1]=4 37 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O Z5845 [0,0,0,0,0,1|2,0,1]=4 38 B10R0.98 CC(C)C(=O)CCCC(=O)O 2756AE [0,0,0,0,0,1|2,0,1]=4 39 B10R0.98 CN(C)C(=O)CCCC(=O)O 4709AD [0,0,0,0,0,1|3,0,0]=4 40 B10R0.98 C[C@H](N)C(=O)NCCC(=O)O 9720AJ [0,0,0,0,0,1|2,0,1]=4 41 B7R0.3 COC(=O)CCC=O W3030 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.5 CCCC(=O)C(=O)O 5775AL [2,0,0,0,0,0|0,0,1]=3 43 B7R0.6 CC(=O)SCC(=O)O Y7206 [2,0,0,0,0,0|1,0,1]=4 44 B7R0.6 O=C(O)CC[N+](=O)[O-] 6949AB [2,0,0,0,0,0|1,0,1]=4 45 B9R0.1 COC(=O)CCNC(C)=O 3347AB [1,1,0,0,0,0|2,0,0]=4 46 B9R0.53 NC(CC(=O)O)CC(=O)O 3938AB [1,1,0,0,0,0|0,0,1]=3 47 B9R0.53 O=C(O)CS(=O)CC(=O)O 0540AE [1,1,0,0,0,0|1,0,1]=4 48 B9R0.56 O=C(O)CCCP(=O)(O)O 6674AL [1,1,0,0,0,0|1,0,1]=4 49 B9R0.11 O=C(O)CC(F)(F)C(=O)O 7677AE [0,1,0,0,1,0|1,0,1]=4 50 B9R0.79 CC(C(=O)O)C(C)C(=O)O X7355 [0,1,0,0,1,0|1,0,1]=4 51 B9R0.79 CC(C(=O)O)C(N)C(=O)O 0243AC [0,1,0,0,1,0|1,0,1]=4 52 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O I074 [0,1,0,0,1,0|0,0,2]=4 53 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O 7228AF [0,1,0,0,1,0|0,0,2]=4 54 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Z7777 [0,1,0,0,1,0|0,0,2]=4 55 B9R1.35 O=C1C=C(C(=O)O)CC1 Y5171 [1,0,0,1,0,0|1,0,0]=3 56 B9R1.49 O=C1CCC(=O)O[Ca]O1 7141AF [1,0,0,1,0,0|2,0,0]=4 57 B9R1.161 O=C(O)C1CC1C(=O)O 7423AA [1,0,0,1,0,0|0,0,1]=3 58 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O 3970AL [1,0,0,1,0,0|1,0,1]=4 59 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O 7217AA [1,0,0,1,0,0|0,0,1]=3 60 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O 7460AL [1,0,0,1,0,0|1,0,1]=4 61 B11R1.74 O=C1CC(C(=O)O)CC(=O)N1 5360AJ [0,0,0,1,0,1|1,0,0]=3 62 B11R1.75 O=C(O)CCC1=CC(O)=NO1 9328AE [0,0,0,1,0,1|1,0,1]=4 63 B11R1.645 O=C(O)CC1=CC(=O)OC1=O X3624 [0,0,0,1,0,1|1,0,1]=4 64 B11R1.645 O=C(O)CC1SC(=O)NC1=O 1298AF [0,0,0,1,0,1|0,1,0]=3 65 B11R1.645 O=C(O)CN1CC(=O)NC1=O 4169AF [0,0,0,1,0,1|2,0,0]=4 66 B7R0.16 O=C([O-])C(=O)C(=O)[O-] 1418AC [0,0,0,0,2,0|0,0,2]=4 67 B9R0.55 NC(=O)NCCCC(=O)O 8592AD [1,0,0,0,0,1|1,0,1]=4 68 B9R0.55 O=C(O)CSSCC(=O)O 7220AF [1,0,0,0,0,1|1,0,1]=4