0 B8R0.23 CC(=O)C(=O)CC(C)C 6793AL [0,0,0,0,0,0|2,0,1]=3 1 B8R0.23 CC(=O)C(N)CC(C)C 5475AB [0,0,0,0,0,0|1,0,0]=1 2 B8R0.23 CC(C)CC(=O)C(=O)O 2659AC [0,0,0,0,0,0|1,0,1]=2 3 B8R0.23 CC(C)CC(O)C(C)C 5374AL [0,0,0,0,0,0|3,0,1]=4 4 B8R0.23 NC(=O)[C@@H](N)CC(=O)O 6580AH [0,0,0,0,0,0|3,0,1]=4 5 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] V0043 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.2 C#CC(O)CC(C)C 6792AL [1,0,0,0,0,0|2,0,1]=4 7 B7R0.2 CC(C)CC(N)C#N 5444AJ [1,0,0,0,0,0|1,0,1]=3 8 B7R0.2 CCC(C)CC(C)C 5322AL [1,0,0,0,0,0|2,0,1]=4 9 B7R0.5 C=CCC(N)C(=O)O 7090AA [1,0,0,0,0,0|0,0,2]=3 10 B7R0.5 CCCC(=O)C(=O)O 5775AL [1,0,0,0,0,0|1,0,1]=3 11 B7R0.5 CCNC(C)C(N)=O 7697AD [1,0,0,0,0,0|3,0,0]=4 12 B7R0.5 CCSC(C)C(=O)O 6924AD [1,0,0,0,0,0|2,0,0]=3 13 B7R0.5 COCC(Cl)C(=O)O 2065AB [1,0,0,0,0,0|2,0,0]=3 14 B7R0.5 CSC[C@H](N)C(=O)O 2067AC [1,0,0,0,0,0|1,0,0]=2 15 B7R0.5 N#CC[C@H](N)C(=O)O V6942 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.5 NC(CCBr)C(=O)O 1883AC [1,0,0,0,0,0|1,0,0]=2 17 B7R0.5 NC(CCBr)C(=O)O E114 [1,0,0,0,0,0|1,0,0]=2 18 B7R0.5 NCCC(N)C(=O)O W7673 [1,0,0,0,0,0|1,0,0]=2 19 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [1,0,0,0,0,0|1,0,0]=2 20 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [1,0,0,0,0,0|1,0,0]=2 21 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [1,0,0,0,0,0|1,0,0]=2 22 B7R0.5 N[C@H](CCS)C(=O)O 8982AB [1,0,0,0,0,0|1,0,0]=2 23 B7R0.6 C=C(C)CCC(C)C 5371AL [1,0,0,0,0,0|2,0,0]=3 24 B7R0.6 CC(=O)CCN(C)C 8474AD [1,0,0,0,0,0|2,0,0]=3 25 B7R0.6 CC(=O)SCC(=O)O Y7206 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.6 CC(C)CCC(=O)O 9893AB [1,0,0,0,0,0|0,0,0]=1 27 B7R0.6 CC(C)CCC(C)Br 5483AJ [1,0,0,0,0,0|2,0,1]=4 28 B7R0.6 CC(C)CCC(C)C 5381AL [1,0,0,0,0,0|2,0,1]=4 29 B7R0.6 CC(C)NCC(N)=O V7257 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.6 C[S+](C)CCC(=O)O 4030AL [1,0,0,0,0,0|1,0,0]=2 31 B7R0.6 O=C(O)CC[N+](=O)[O-] 6949AB [1,0,0,0,0,0|3,0,0]=4 32 B9R0.11 CC(C)CC(C)(O)C(=O)O 4614AB [0,1,0,0,0,0|1,0,0]=2 33 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O 0594AP [0,1,0,0,0,0|0,0,0]=1 34 B9R0.11 CC(C)C[C@](C)(N)C(=O)O 7059AH [0,1,0,0,0,0|0,0,0]=1 35 B9R0.23 CC(C)OC(C)C(=O)NN 8104AC [0,1,0,0,0,0|3,0,0]=4 36 B9R0.39 CC(C)CC(CN)C(=O)O 1792AL [0,1,0,0,0,0|0,0,0]=1 37 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 0447AB [0,1,0,0,0,0|0,0,0]=1 38 B9R0.39 CC(C)C[C@H](CN)C(=O)O 0749AB [0,1,0,0,0,0|0,0,0]=1 39 B9R0.42 CCC(C)NC(=O)C(=O)O 9984AE [0,1,0,0,0,0|2,0,1]=4 40 B9R0.42 CCN(C)CC(C)C(=O)O 0859AF [0,1,0,0,0,0|2,0,0]=3 41 B9R0.57 CC(C)(C)CC(N)C(=O)O X5326 [0,1,0,0,0,0|0,0,0]=1 42 B9R0.57 CC(C)(C)CC(N)C(=O)O X8798 [0,1,0,0,0,0|0,0,0]=1 43 B9R0.57 CC(CC(F)(F)F)C(=O)O 4725AF [0,1,0,0,0,0|3,0,0]=4 44 B9R0.57 NC(CC(F)(F)F)C(=O)O 2294AB [0,1,0,0,0,0|2,0,0]=3 45 B9R0.79 CC(C(=O)O)C(N)C(=O)O 0243AC [0,1,0,0,0,0|2,0,1]=4 46 B9R1.35 CC1=NOC(C(=O)O)C1 4083AE [0,0,0,1,0,0|2,0,1]=4 47 B9R1.35 CC1NC(C(=O)O)CS1 2967AE [0,0,0,1,0,0|3,0,0]=4 48 B9R1.35 NC(=O)C1CC(F)CN1 5868AC [0,0,0,1,0,0|2,0,0]=3 49 B9R1.35 NC(=O)[C@@H]1C[C@@H](F)CN1 3174AC [0,0,0,1,0,0|2,0,0]=3 50 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 4732AJ [0,0,0,1,0,0|2,0,0]=3 51 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 1629AC [0,0,0,1,0,0|2,0,0]=3 52 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 5891AB [0,0,0,1,0,0|2,0,0]=3 53 B9R1.35 NC1CNC(C(=O)O)C1 Y7723 [0,0,0,1,0,0|1,0,0]=2 54 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 Y6706 [0,0,0,1,0,0|2,0,1]=4 55 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 Y6730 [0,0,0,1,0,0|2,0,0]=3 56 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 W4980 [0,0,0,1,0,0|1,0,0]=2 57 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 0632AA [0,0,0,1,0,0|2,0,1]=4 58 B9R1.35 O=C(O)C1CCC(O)C1 0331AA [0,0,0,1,0,0|2,0,0]=3 59 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 9051AB [0,0,0,1,0,0|1,0,0]=2 60 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 W9014 [0,0,0,1,0,0|1,0,0]=2 61 B9R1.35 O=C1CNC(C(=O)O)C1 0294AB [0,0,0,1,0,0|1,0,1]=3 62 B9R1.69 CC1CNC(=O)N(C)C1 3005AD [0,0,0,1,0,0|3,0,0]=4 63 B9R1.164 CC1(O)CC(C(=O)O)C1 W3550 [0,0,0,1,0,0|2,0,0]=3 64 B9R1.169 CC1(C(=O)O)CC1(F)F 5402AA [0,0,0,1,0,0|3,0,0]=4 65 B7R0.16 CC(C(=O)O)N(C)C 5353AD [0,0,0,0,1,0|2,0,0]=3 66 B7R0.16 CC(C)C(F)C(=O)O W3426 [0,0,0,0,1,0|1,0,0]=2 67 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O 7119AH [0,0,0,0,0,1|1,0,1]=3 68 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O K790 [0,0,0,0,0,1|2,0,1]=4 69 B9R0.7 CC(C)CC[C@H](N)C(=O)O 7177AH [0,0,0,0,0,1|0,0,0]=1 70 B9R0.7 CC(C)CNC(=O)C(=O)O 9215AE [0,0,0,0,0,1|1,0,1]=3 71 B9R0.7 C[S+](C)CCC(N)C(=O)O 7555AF [0,0,0,0,0,1|1,0,0]=2 72 B9R0.53 CC(=O)CC(C)CC(C)C 0099AB [0,0,0,0,0,1|2,0,0]=3 73 B9R0.53 CC(C)C[C@@H](N)CC(=O)O 5270AC [0,0,0,0,0,1|0,0,0]=1 74 B9R0.53 CC(C)C[C@@H](N)CC(=O)O 5354AA [0,0,0,0,0,1|0,0,0]=1 75 B9R0.53 NC(CC(=O)O)CC(=O)O 3938AB [0,0,0,0,0,1|2,0,1]=4 76 B6R0.1 C=CC(C)CCC 6092AL [2,0,0,0,0,0|2,0,0]=4 77 B6R0.1 CCCC(C)CO 1207AA [2,0,0,0,0,0|1,0,1]=4 78 B6R0.1 CCC\C(N)=N\O 8990AD [2,0,0,0,0,0|1,0,1]=4 79 B6R0.2 CC(C)CC(C)C 7809AF [2,0,0,0,0,0|1,0,1]=4 80 B6R0.2 CC(C)CC(C)N I823 [2,0,0,0,0,0|0,0,1]=3 81 B6R0.2 CC(N)CN(C)C 8452AC [2,0,0,0,0,0|1,0,1]=4 82 B6R0.2 C[C@H](O)CN(C)C 7646AB [2,0,0,0,0,0|2,0,0]=4 83 B6R0.4 C=C(C)CCCC 5699AL [2,0,0,0,0,0|2,0,0]=4 84 B6R0.4 C=CCCC(C)C 6791AL [2,0,0,0,0,0|1,0,0]=3 85 B6R0.4 CC(C)CCC=O Y1162 [2,0,0,0,0,0|0,0,0]=2 86 B6R0.4 CC(C)CCCCl 6814AE [2,0,0,0,0,0|1,0,1]=4 87 B6R0.4 CC(C)CCCN 7575AF [2,0,0,0,0,0|1,0,1]=4 88 B6R0.4 CCCCC(=O)Br 7391AF [2,0,0,0,0,0|1,0,0]=3 89 B6R0.4 CCCCC(C)C 5734AL [2,0,0,0,0,0|1,0,1]=4 90 B6R0.4 CCCCC(C)O 9467AB [2,0,0,0,0,0|1,0,1]=4 91 B6R0.4 CCNCC(=O)O X5133 [2,0,0,0,0,0|1,0,0]=3 92 B6R0.4 CNCCC(=O)O 5026AF [2,0,0,0,0,0|1,0,0]=3 93 B6R0.4 COCCC(C)=O B939 [2,0,0,0,0,0|2,0,0]=4 94 B6R0.4 CSSCC(=O)O KMA0116 [2,0,0,0,0,0|2,0,0]=4 95 B6R0.4 C\C=C\CC(C)C 6798AL [2,0,0,0,0,0|1,0,1]=4 96 B6R0.4 NC(=O)CCCCl Y1653 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.4 O=C(O)CCCS 7264AF [2,0,0,0,0,0|1,0,0]=3 98 B6R0.3 CC(=O)C(N)CO 6844AC [2,0,0,0,0,0|2,0,0]=4 99 B6R0.3 CC(CO)C(=O)O Z7389 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.3 CCC(C)C(C)=O U423 [2,0,0,0,0,0|2,0,0]=4 101 B6R0.3 CCC(O)C(=O)[O-] 8154AL [2,0,0,0,0,0|1,0,1]=4 102 B6R0.3 CCC(S)C(C)=O 9471AJ [2,0,0,0,0,0|2,0,0]=4 103 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [2,0,0,0,0,0|2,0,0]=4 104 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [2,0,0,0,0,0|1,0,0]=3 105 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [2,0,0,0,0,0|1,0,0]=3 106 B6R0.3 CSC(C)C(=O)O 6148AE [2,0,0,0,0,0|2,0,0]=4 107 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [2,0,0,0,0,0|2,0,0]=4 108 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [2,0,0,0,0,0|2,0,0]=4 109 B6R0.3 NC(=O)C(N)CO 2131AB [2,0,0,0,0,0|2,0,0]=4 110 B6R0.3 NCC(N)C(=O)O 3293AL [2,0,0,0,0,0|1,0,0]=3 111 B6R0.3 NC[C@H](N)C(=O)O 0179AB [2,0,0,0,0,0|1,0,0]=3 112 B6R0.3 N[C@H](CCl)C(=O)O 5119AB [2,0,0,0,0,0|1,0,0]=3 113 B6R0.3 O=C(O)C(Cl)CO 0455AQ [2,0,0,0,0,0|2,0,0]=4 114 B6R0.3 O=C(O)C(O)CCl 2399AL [2,0,0,0,0,0|2,0,0]=4 115 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O 5560AA [1,1,0,0,0,0|2,0,0]=4 116 B8R0.34 CN(C)CC(C)(C)C=O 4834AD [1,1,0,0,0,0|2,0,0]=4 117 B8R0.3 C#CC[C@H](N)C(=O)OC 8457AA [1,1,0,0,0,0|0,0,2]=4 118 B8R0.3 C=CCC(N)C(=O)OC 4218AJ [1,1,0,0,0,0|0,0,2]=4 119 B8R0.3 C=CC[C@@H](N)C(=O)OC 1043AB [1,1,0,0,0,0|0,0,2]=4 120 B8R0.3 CCCC(N)C(=O)NC 1487AF [1,1,0,0,0,0|1,0,0]=3 121 B8R0.3 CNCC(C)C(=O)OC Z2743 [1,1,0,0,0,0|2,0,0]=4 122 B8R0.8 CCCCC(C)C(C)=O 1634AB [1,1,0,0,0,0|2,0,0]=4 123 B8R0.8 CCCCC(N)C(N)=O 6641AH [1,1,0,0,0,0|1,0,0]=3 124 B8R0.8 CCCNC(=O)C(=O)O 0106AF [1,1,0,0,0,0|1,0,1]=4 125 B8R0.8 CSCC[C@@H](N)C(=O)[O-] 8519AE [1,1,0,0,0,0|0,0,1]=3 126 B8R0.8 C[Se]CC[C@H](N)C(=O)O M598 [1,1,0,0,0,0|0,0,0]=2 127 B8R0.8 NOCC[C@@H](N)C(=O)O 5415AA [1,1,0,0,0,0|1,0,0]=3 128 B8R0.12 C=CC[C@@](C)(N)C(=O)O Q366 [1,1,0,0,0,0|0,0,2]=4 129 B8R0.12 CCOC(C)(C)C(=O)O 7496AA [1,1,0,0,0,0|2,0,0]=4 130 B8R0.12 COCC(C)(C)C(=O)O 9837AB [1,1,0,0,0,0|2,0,0]=4 131 B8R0.15 CCCC(OC)C(=O)O 5382AE [1,1,0,0,0,0|1,0,0]=3 132 B8R0.15 CCC[C@@H](NC)C(=O)O 0554AP [1,1,0,0,0,0|0,0,0]=2 133 B8R0.9 C=CC(N)CCC(=O)O SYN5658 [1,1,0,0,0,0|1,0,1]=4 134 B8R0.9 CC(C)CNC(=O)CBr 4255AF [1,1,0,0,0,0|2,0,0]=4 135 B8R0.9 CC(C)CNC(=O)CN 5727AD [1,1,0,0,0,0|2,0,0]=4 136 B8R0.9 CC(C)OCC(=O)NN 2431AF [1,1,0,0,0,0|2,0,0]=4 137 B8R0.9 CCC(=O)CCC(=O)O 8820AC [1,1,0,0,0,0|1,0,1]=4 138 B8R0.9 CCC(=O)CCC(C)C 7962AF [1,1,0,0,0,0|1,0,0]=3 139 B8R0.9 CCC(C)CCC(C)O 6794AL [1,1,0,0,0,0|1,0,1]=4 140 B8R0.9 CCS(=O)CCC(=O)O 4032AD [1,1,0,0,0,0|2,0,0]=4 141 B8R0.9 C\C(CCC(C)C)=N/O 6797AL [1,1,0,0,0,0|1,0,0]=3 142 B8R0.29 CC(C)(N)CCC(=O)O 0201AE [1,1,0,0,0,0|0,0,0]=2 143 B8R0.29 CC(C)(N)CNC(N)=O 1059AL [1,1,0,0,0,0|2,0,0]=4 144 B8R0.18 CC(C)[C@H](NO)C(=O)O Q384 [0,1,0,0,1,0|0,0,0]=2 145 B8R0.18 CN[C@@H](C(=O)O)C(C)C Z5749 [0,1,0,0,1,0|0,0,0]=2 146 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O Z5815 [0,1,0,0,1,0|1,0,0]=3 147 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O X9026 [0,1,0,0,1,0|0,0,0]=2 148 B8R0.27 CC(C)(C)[C@H](O)C(=O)O 1248AL [0,1,0,0,1,0|1,0,0]=3 149 B8R0.27 CC(C)(F)C(N)C(=O)O 3294AE [0,1,0,0,1,0|0,0,0]=2 150 B8R0.27 CC(C)(O)C(N)C(=O)O 5433AJ [0,1,0,0,1,0|0,0,0]=2 151 B8R0.37 CC(C)C(C)(O)C(=O)O 4613AB [0,1,0,0,1,0|1,0,0]=3 152 B8R0.37 CC(Cl)C(Cl)(Cl)C(=O)O X0222 [0,1,0,0,1,0|2,0,0]=4 153 B10R0.13 CC(C)C[C@H](N)C(O)C(=O)O KMA0162 [0,1,0,0,0,1|1,0,0]=3 154 B10R0.13 CC(C)C[C@H](N)[C@H](O)C(=O)O 1407AC [0,1,0,0,0,1|1,0,0]=3 155 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 3262AB [0,1,0,0,0,1|1,0,1]=4 156 B10R0.82 NCC(O)CCC(N)C(=O)O 4932AH [0,1,0,0,0,1|1,0,0]=3 157 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O 3451AL [0,1,0,0,0,1|2,0,0]=4 158 B10R0.92 NC(CCC(F)(F)F)C(=O)O 5758AH [0,1,0,0,0,1|2,0,0]=4 159 B10R0.93 CC(C)C(=O)NC(C)C(=O)O 4945AD [0,1,0,0,0,1|1,0,1]=4 160 B10R0.93 CC(CN(C)C(C)C)C(=O)O 8836AC [0,1,0,0,0,1|1,0,0]=3 161 B10R0.154 CC(C(N)C(=O)O)C(F)(F)F 8001AD [0,2,0,0,0,0|2,0,0]=4 162 B10R0.32 CCOC(=O)C(=O)CC(C)C W4942 [0,2,0,0,0,0|1,0,1]=4 163 B10R0.32 CCOC(=O)C(N)CC(C)C 9238AD [0,2,0,0,0,0|0,0,0]=2 164 B10R0.56 COC(=O)C(C)C(=O)C(C)C X7165 [0,2,0,0,0,0|1,0,1]=4 165 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O 9056AF [0,2,0,0,0,0|2,0,0]=4 166 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O V9760 [0,2,0,0,0,0|2,0,0]=4 167 B8R1.4 CC1CCCC(N)C1 W7860 [1,0,0,1,0,0|1,0,1]=4 168 B8R1.51 CC1(C)CCC(N)C1 2064AJ [1,0,0,1,0,0|1,0,1]=4 169 B8R1.5 CC1CCCOC1=O 3885AL [1,0,0,1,0,0|1,0,0]=3 170 B8R1.5 NC1CCCCC1=O 0726AC [1,0,0,1,0,0|1,0,0]=3 171 B8R1.5 NN1CCCCC1=O 3513AB [1,0,0,1,0,0|2,0,0]=4 172 B8R1.5 NN1CCCCC1=O Z4590 [1,0,0,1,0,0|2,0,0]=4 173 B8R1.5 N[C@@H]1CCCNC1=O 4620AC [1,0,0,1,0,0|1,0,0]=3 174 B8R1.5 N[C@H]1CCCC[C@H]1O 0705AC [1,0,0,1,0,0|1,0,1]=4 175 B8R1.5 N[C@H]1CCCNC1=O 4844AJ [1,0,0,1,0,0|1,0,0]=3 176 B8R1.5 O=C1CCCCC1Cl 7902AJ [1,0,0,1,0,0|2,0,0]=4 177 B8R1.5 O=C1NCCCC1Br 4146AB [1,0,0,1,0,0|2,0,0]=4 178 B8R1.7 NC(=O)C1CCCN1 Y8548 [1,0,0,1,0,0|1,0,0]=3 179 B8R1.7 O=C(O)C1C=CCN1 0852AE [1,0,0,1,0,0|0,0,2]=4 180 B8R1.7 O=C(O)[C@@H]1CCCN1 2188AC [1,0,0,1,0,0|0,0,0]=2 181 B8R1.7 O=C(O)[C@H]1CCOC1 Z1983 [1,0,0,1,0,0|2,0,0]=4 182 B8R1.23 NC1CC(C(=O)O)C1 2935AC [1,0,0,1,0,0|2,0,0]=4 183 B8R1.23 NC1CC(C(=O)O)C1 3481AA [1,0,0,1,0,0|2,0,0]=4 184 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 W8206 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 2936AC [1,0,0,1,0,0|2,0,0]=4 186 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 W8205 [1,0,0,1,0,0|2,0,0]=4 187 B8R1.23 O=C(O)C1CC(Cl)C1 4357AB [1,0,0,1,0,0|2,0,0]=4 188 B8R1.23 O=C(O)C1CC(F)C1 2538AD [1,0,0,1,0,0|2,0,0]=4 189 B8R1.23 O=C1CC(C(=O)O)N1 Y4879 [1,0,0,1,0,0|1,0,1]=4 190 B8R1.23 O=C1C[C@@H](C(=O)O)N1 1251AL [1,0,0,1,0,0|1,0,1]=4 191 B8R1.54 O=C(O)C(=O)C1CC1 Z4141 [1,0,0,1,0,0|1,0,1]=4 192 B8R1.3 CC1CNC(=O)CO1 6453AJ [1,0,0,1,0,0|2,0,0]=4 193 B8R1.3 CN1CCC(=O)CC1 A394 [1,0,0,1,0,0|2,0,0]=4 194 B8R1.3 NC1CCC(=O)NC1 7736AA [1,0,0,1,0,0|2,0,0]=4 195 B8R1.3 N[C@H]1CCC(=O)NC1 0353AC [1,0,0,1,0,0|2,0,0]=4 196 B8R1.3 O=C1CC[C@@H](O)CN1 X8626 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.35 O=C(O)C#CC1CC1 0479AQ [1,0,0,1,0,0|0,0,2]=4 198 B8R1.35 O=C(O)CNC1CC1 0701AA [1,0,0,1,0,0|1,0,0]=3 199 B8R1.77 CC1(C)CC1C(N)=O 5881AD [1,0,0,1,0,0|1,0,0]=3 200 B8R1.77 O=C(O)C1CC1(Cl)Cl 5151AE [1,0,0,1,0,0|2,0,0]=4 201 B10R1.359 CC1(C)CNC(C(=O)O)C1 2560AJ [0,0,0,1,0,1|1,0,0]=3 202 B10R1.359 CC1(C)N[C@H](C(=O)O)CS1 0313AC [0,0,0,1,0,1|0,0,0]=2 203 B10R1.359 CC1(C)OCC(C(=O)O)O1 Z4898 [0,0,0,1,0,1|1,0,0]=3 204 B10R1.54 CN1CCC(CC(=O)O)C1 0543AA [0,0,0,1,0,1|2,0,0]=4 205 B10R1.54 O=C(O)C[C@@H]1C[C@@H](O)CN1 3939AB [0,0,0,1,0,1|1,0,0]=3 206 B10R1.560 CC1(C)CC(=O)C(C)(C)C1 1309AJ [0,1,0,1,0,0|2,0,0]=4 207 B10R1.566 NC1(C(=O)O)CC(F)(F)C1 4290AA [0,1,0,1,0,0|1,0,0]=3 208 B10R1.14 COC(=O)C1CCC(N)C1 5832AA [0,1,0,1,0,0|2,0,0]=4 209 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 1092AL [0,1,0,1,0,0|1,0,0]=3 210 B10R1.33 CC1(C)CN(N=O)C(=O)O1 V4640 [0,1,0,1,0,0|1,0,1]=4 211 B10R1.113 CN1CCNC(C(=O)O)C1 5645AH [0,1,0,1,0,0|1,0,0]=3 212 B10R1.113 CN1CCOC(C(=O)O)C1 0383AF [0,1,0,1,0,0|2,0,0]=4 213 B10R1.113 CN1CCOC(C(=O)O)C1 5644AH [0,1,0,1,0,0|2,0,0]=4 214 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)[O-])C1 V0414 [0,1,0,1,0,0|0,0,1]=3 215 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 0960AF [0,1,0,1,0,0|2,0,0]=4 216 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 8462AA [0,1,0,1,0,0|2,0,0]=4 217 B10R1.113 O=C(O)C1CNCC(O)C1 2797AA [0,1,0,1,0,0|1,0,0]=3 218 B10R1.113 O=C(O)C1CNCC(O)C1 3230AJ [0,1,0,1,0,0|1,0,0]=3 219 B10R1.204 N[C@@H](CC1CCC1)C(=O)O 3488AA [0,1,0,1,0,0|0,0,0]=2 220 B10R1.204 N[C@H](CC1CCC1)C(=O)O 9009AA [0,1,0,1,0,0|0,0,0]=2 221 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 Z3471 [0,0,0,2,0,0|1,0,0]=3 222 B8R0.28 C=C(C)CCCC(=O)O X3484 [1,0,0,0,0,1|0,0,2]=4 223 B8R0.28 CC(=O)CCOC(C)C 6552AL [1,0,0,0,0,1|1,0,0]=3 224 B8R0.28 CC(=O)SCCC(=O)O 0636AQ [1,0,0,0,0,1|1,0,1]=4 225 B8R0.28 CC(C)NCCC(N)=O 6779AD [1,0,0,0,0,1|1,0,0]=3