0 B9R0.7 CC(=O)SCC(C)C(=O)O 14067 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.7 CC(C)CC[C@@H](N)C(=O)O 29929 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.7 CC(C)CC[C@H](N)C(=O)O 29928 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.7 CC(CCC(=O)O)C(=O)O 25995 [0,0,0,0,0,0|1,0,0]=1 4 B9R0.7 N=C(N)NC[C@H](N)C(=O)O 13814 [0,0,0,0,0,0|3,0,0]=3 5 B9R0.7 NC(=O)CCC(N)C(=O)O 19883 [0,0,0,0,0,0|1,0,0]=1 6 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O 7268 [0,0,0,0,0,0|1,0,0]=1 7 B9R0.7 NC(=O)CC[C@H](N)C(=O)O 26222 [0,0,0,0,0,0|1,0,0]=1 8 B9R0.7 NC(CCC(=O)O)B(O)O 33630 [0,0,0,0,0,0|1,0,1]=2 9 B9R0.7 NC(CCC(=O)O)B(O)O 33631 [0,0,0,0,0,0|1,0,1]=2 10 B9R0.7 NC(CCC(=O)O)C(=O)O 12377 [0,0,0,0,0,0|0,0,0]=0 11 B9R0.7 NC(CCC(=O)O)C(=O)O 12378 [0,0,0,0,0,0|0,0,0]=0 12 B9R0.7 NC(CCC(=O)O)C(=O)O 12379 [0,0,0,0,0,0|0,0,0]=0 13 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O 8516 [0,0,0,0,0,0|0,0,0]=0 14 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)[O-] 15162 [0,0,0,0,0,0|0,0,2]=2 15 B9R0.7 N[C@H](CCC(=O)O)C(=O)O 10977 [0,0,0,0,0,0|0,0,0]=0 16 B8R0.8 CCCC[C@@H](N)C(=O)O 27353 [1,0,0,0,0,0|1,0,1]=3 17 B8R0.8 CCCC[C@H](N)C(=O)O 21410 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.8 CSCCC(N)C(=O)O 20205 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.8 CSCC[C@H](N)C(=O)O 14349 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.8 CSCC[C@H](N)C(=O)O 18503 [1,0,0,0,0,0|2,0,0]=3 21 B8R0.8 C[Se]CC[C@H](N)C(=O)O 13834 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.8 NCCCC(N)C(=O)O 36401 [1,0,0,0,0,0|1,0,1]=3 23 B8R0.8 NCCC[C@@H](N)C(=O)O 12441 [1,0,0,0,0,0|1,0,1]=3 24 B8R0.8 NCCC[C@H](N)C(=O)O 13024 [1,0,0,0,0,0|1,0,1]=3 25 B8R0.8 NCCC[C@H](N)C(=O)O 21979 [1,0,0,0,0,0|1,0,1]=3 26 B8R0.28 CC(C)CCCC(=O)O 36049 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.28 CN(C)CCCC(=O)O 35953 [1,0,0,0,0,0|3,0,0]=4 28 B8R0.28 O=C(O)CCCC(=O)O 18989 [1,0,0,0,0,0|0,0,0]=1 29 B8R0.28 O=C(O)CNCC(=O)O 35020 [1,0,0,0,0,0|1,0,0]=2 30 B8R0.28 O=C(O)COCC(O)=S 10792 [1,0,0,0,0,0|1,1,0]=3 31 B8R0.28 O=C(O)\C=C\CC(=O)O 35121 [1,0,0,0,0,0|0,0,2]=3 32 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O 13174 [0,1,0,0,0,0|0,0,0]=1 33 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O 6337 [0,1,0,0,0,0|1,0,0]=2 34 B10R0.57 COC(=O)[C@H](N)CCC(N)=O 6336 [0,1,0,0,0,0|1,0,0]=2 35 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 14918 [0,1,0,0,0,0|0,0,0]=1 36 B10R0.92 CP(=O)([O-])CCC(N)C(=O)[O-] 19901 [0,1,0,0,0,0|1,0,2]=4 37 B10R0.92 N[C@@H](CCS(=O)(=O)O)C(=O)O 12443 [0,1,0,0,0,0|1,0,0]=2 38 B10R1.13 NC(=O)C1CCC(=O)CC1 26304 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 4022 [0,0,0,1,0,0|2,0,1]=4 40 B10R1.13 O=C1CCC(C(=O)O)=NN1 19274 [0,0,0,1,0,0|1,0,2]=4 41 B10R1.13 O=C1CCC(C(=O)O)CC1 12606 [0,0,0,1,0,0|2,0,0]=3 42 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 31801 [0,0,0,1,0,0|2,0,0]=3 43 B10R1.349 O=C(O)[C@H]1C[C@@H](C(=O)O)C1 21107 [0,0,0,1,0,0|1,0,0]=2 44 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 13929 [0,0,0,1,0,0|1,0,1]=3 45 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O 29924 [0,0,0,0,1,0|2,0,0]=3 46 B8R0.23 C=C(Br)C[C@H](N)C(=O)O 29923 [0,0,0,0,1,0|2,0,0]=3 47 B8R0.23 CC(=O)N[C@@H](C)C(=O)O 12857 [0,0,0,0,1,0|3,0,0]=4 48 B8R0.23 CC(=O)N[C@H](C)C(=O)O 12867 [0,0,0,0,1,0|3,0,0]=4 49 B8R0.23 CC(=O)O[C@@H](C)C(=O)O 27148 [0,0,0,0,1,0|3,0,0]=4 50 B8R0.23 CC(C)CC(N)C(=O)O 26534 [0,0,0,0,1,0|2,0,1]=4 51 B8R0.23 CC(C)C[C@@H](N)C(=O)O 12374 [0,0,0,0,1,0|2,0,1]=4 52 B8R0.23 CC(C)C[C@H](N)C(=O)O 13183 [0,0,0,0,1,0|2,0,1]=4 53 B8R0.23 CC(C)[C@@H](N)CC(=O)O 30142 [0,0,0,0,1,0|2,0,1]=4 54 B8R0.23 CC(C)[C@@H](N)CC(=O)O 30151 [0,0,0,0,1,0|2,0,1]=4 55 B8R0.23 CC(C)[C@H](N)CC(=O)O 23284 [0,0,0,0,1,0|2,0,1]=4 56 B8R0.23 CC(C)[C@H](N)CC(=O)O 30172 [0,0,0,0,1,0|2,0,1]=4 57 B8R0.23 C[C@@H](O)[C@@H](N)CC(=O)O 24543 [0,0,0,0,1,0|1,0,1]=3 58 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O 24541 [0,0,0,0,1,0|1,0,1]=3 59 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O 24542 [0,0,0,0,1,0|1,0,1]=3 60 B8R0.23 C[C@H](O)[C@H](N)CC(=O)O 24540 [0,0,0,0,1,0|1,0,1]=3 61 B8R0.23 NC(=O)CC(N)C(=O)O 15167 [0,0,0,0,1,0|1,0,0]=2 62 B8R0.23 NC(=O)C[C@@H](N)C(=O)O 15169 [0,0,0,0,1,0|1,0,0]=2 63 B8R0.23 NC(=O)C[C@@H](N)C(=O)O 20981 [0,0,0,0,1,0|1,0,0]=2 64 B8R0.23 NC(=O)C[C@H](N)C(=O)O 15166 [0,0,0,0,1,0|1,0,0]=2 65 B8R0.23 NC(=O)C[C@H](N)C(=O)O 24959 [0,0,0,0,1,0|1,0,0]=2 66 B8R0.23 NC(CC(=O)O)C(=O)O 12370 [0,0,0,0,1,0|0,0,0]=1 67 B8R0.23 NC(CC(=O)[O-])C(=O)O 15160 [0,0,0,0,1,0|0,0,1]=2 68 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] 15148 [0,0,0,0,1,0|0,0,2]=3 69 B8R0.23 N[C@@H](CC(=O)O)C(=O)O 8074 [0,0,0,0,1,0|0,0,0]=1 70 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] 15135 [0,0,0,0,1,0|0,0,1]=2 71 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 35349 [0,0,0,0,1,0|0,0,1]=2 72 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] 15139 [0,0,0,0,1,0|0,0,2]=3 73 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] 15142 [0,0,0,0,1,0|0,0,2]=3 74 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] 15144 [0,0,0,0,1,0|0,0,2]=3 75 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] 15146 [0,0,0,0,1,0|0,0,2]=3 76 B8R0.23 N[C@H](CC(=O)O)C(=O)O 8073 [0,0,0,0,1,0|0,0,0]=1 77 B8R0.23 O=C(O)CC(O)C(=O)O 20057 [0,0,0,0,1,0|1,0,0]=2 78 B8R0.23 O=C(O)CC(S)C(=O)O 35232 [0,0,0,0,1,0|1,0,0]=2 79 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O 6254 [0,0,0,0,1,0|1,0,0]=2 80 B8R0.23 O=C(O)C[C@@H](O)C(=O)O 7917 [0,0,0,0,1,0|1,0,0]=2 81 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 13815 [0,0,0,0,1,0|1,0,0]=2 82 B8R0.23 O=C(O)C[C@H](Cl)C(=O)O 6255 [0,0,0,0,1,0|1,0,0]=2 83 B8R0.23 [*]C(=O)[C@@H](N)CC(N)=O 24967 [0,0,0,0,1,0|2,0,0]=3 84 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O 30115 [0,0,0,0,0,1|1,0,0]=2 85 B10R0.96 NC(CCC(=O)O)CC(=O)O 13446 [0,0,0,0,0,1|0,0,0]=1 86 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O 30090 [0,0,0,0,0,1|0,0,0]=1 87 B10R0.98 CC(=O)OCCC(Cl)C(C)=O 36260 [0,0,0,0,0,1|3,0,0]=4 88 B10R0.98 CC(C)CCC[C@H](N)C(=O)O 29990 [0,0,0,0,0,1|2,0,1]=4 89 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O 16006 [0,0,0,0,0,1|2,0,0]=3 90 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O 19033 [0,0,0,0,0,1|0,0,0]=1 91 B7R0.4 C#CCCCC(=O)O 35033 [2,0,0,0,0,0|1,0,1]=4 92 B7R0.4 C=CCNCC(=O)O 22903 [2,0,0,0,0,0|2,0,0]=4 93 B7R0.4 NCCCCC(=O)O 18964 [2,0,0,0,0,0|1,0,1]=4 94 B7R0.4 NCCCCC(=O)O 31880 [2,0,0,0,0,0|1,0,1]=4 95 B7R0.4 O=C(O)CCCCBr 3843 [2,0,0,0,0,0|1,0,1]=4 96 B7R0.5 C#CC[C@@H](N)C(=O)O 27328 [2,0,0,0,0,0|0,0,2]=4 97 B7R0.5 C#CC[C@@H](N)C(=O)O 29746 [2,0,0,0,0,0|0,0,2]=4 98 B7R0.5 C#CC[C@H](N)C(=O)O 29745 [2,0,0,0,0,0|0,0,2]=4 99 B7R0.5 C#CC[C@H](N)C(=O)O 30431 [2,0,0,0,0,0|0,0,2]=4 100 B7R0.5 C=CC[C@@H](N)C(=O)O 29739 [2,0,0,0,0,0|0,0,1]=3 101 B7R0.5 C=CC[C@H](N)C(=O)O 29738 [2,0,0,0,0,0|0,0,1]=3 102 B7R0.5 CCCC(C)C(=O)O 2465 [2,0,0,0,0,0|1,0,1]=4 103 B7R0.5 CCC[C@H](C)C(=O)O 5642 [2,0,0,0,0,0|1,0,1]=4 104 B7R0.5 CCC[C@H](N)C(=O)O 5727 [2,0,0,0,0,0|0,0,1]=3 105 B7R0.5 NC(CCO)C(=O)O 13833 [2,0,0,0,0,0|0,0,0]=2 106 B7R0.5 NC(CCS)C(=O)O 19432 [2,0,0,0,0,0|0,1,0]=3 107 B7R0.5 NCCC(N)C(=O)O 13824 [2,0,0,0,0,0|1,0,0]=3 108 B7R0.5 NCCC(N)C(=O)O 14752 [2,0,0,0,0,0|1,0,0]=3 109 B7R0.5 NCCC(O)C(=O)O 23215 [2,0,0,0,0,0|2,0,0]=4 110 B7R0.5 NCC[C@@H](N)C(=O)O 14751 [2,0,0,0,0,0|1,0,0]=3 111 B7R0.5 NCC[C@H](N)C(=O)O 35110 [2,0,0,0,0,0|1,0,0]=3 112 B7R0.5 NCC[C@H](O)C(=O)O 5719 [2,0,0,0,0,0|2,0,0]=4 113 B7R0.5 N[C@@H](CCBr)C(=O)O 13813 [2,0,0,0,0,0|1,0,0]=3 114 B7R0.5 N[C@@H](CCO)C(=O)O 11050 [2,0,0,0,0,0|0,0,0]=2 115 B7R0.5 N[C@@H](CCS)C(=O)O 26604 [2,0,0,0,0,0|0,1,0]=3 116 B7R0.5 N[C@H](CCO)C(=O)O 13826 [2,0,0,0,0,0|0,0,0]=2 117 B7R0.5 O=C(O)[C@@H](O)CCO 16051 [2,0,0,0,0,0|1,0,0]=3 118 B7R0.6 CC(=O)CCC(=O)O 11206 [2,0,0,0,0,0|1,0,1]=4 119 B7R0.6 O=C(O)CC[N+](=O)[O-] 27590 [2,0,0,0,0,0|2,0,0]=4 120 B9R0.8 COC(=O)[C@@H](N)CCCN 18996 [1,1,0,0,0,0|1,0,1]=4 121 B9R0.8 COC(=O)[C@@H](N)CCSC 14925 [1,1,0,0,0,0|2,0,0]=4 122 B9R0.47 C#CCSC[C@H](N)C(=O)O 17699 [1,1,0,0,0,0|1,0,1]=4 123 B9R0.47 NCCCCC(N)C(=O)O 12390 [1,1,0,0,0,0|1,0,1]=4 124 B9R0.47 NCCCCC(N)C(=O)O 12448 [1,1,0,0,0,0|1,0,1]=4 125 B9R0.47 NCCCC[C@@H](N)C(=O)O 13028 [1,1,0,0,0,0|1,0,1]=4 126 B9R0.47 NCCCC[C@@H](N)C(=O)O 17982 [1,1,0,0,0,0|1,0,1]=4 127 B9R0.47 NCCCC[C@@H](N)C(=O)O 6286 [1,1,0,0,0,0|1,0,1]=4 128 B9R0.47 NCCCC[C@H](N)C(=O)O 23203 [1,1,0,0,0,0|1,0,1]=4 129 B9R0.47 NCCCC[C@H](N)C(=O)O 36140 [1,1,0,0,0,0|1,0,1]=4 130 B9R0.47 NCCCC[C@H](N)C(=O)O 36361 [1,1,0,0,0,0|1,0,1]=4 131 B9R0.47 NCCCC[C@H](N)C(=O)O 7967 [1,1,0,0,0,0|1,0,1]=4 132 B9R0.47 N[C@@H](CCCCO)C(=O)O 29947 [1,1,0,0,0,0|0,0,1]=3 133 B9R0.1 COC(=O)CCCC(=O)Cl 14033 [1,1,0,0,0,0|1,0,0]=3 134 B9R0.53 CC(=O)NC(C)CC(=O)O 25642 [1,1,0,0,0,0|2,0,0]=4 135 B9R0.53 CN(CC(=O)O)CC(=O)O 4905 [1,1,0,0,0,0|1,0,0]=3 136 B9R0.53 O=C(O)CC(=O)CC(=O)O 15703 [1,1,0,0,0,0|0,0,1]=3 137 B9R0.56 NS(=O)(=O)CCCC(=O)O 24707 [1,1,0,0,0,0|1,0,1]=4 138 B9R0.11 O=C(O)CC(F)(F)C(=O)O 23428 [0,1,0,0,1,0|1,0,0]=3 139 B9R0.79 CC(C(=O)O)C(N)C(=O)O 10166 [0,1,0,0,1,0|0,0,0]=2 140 B9R0.79 O=C(O)C(O)C(O)C(=O)O 17364 [0,1,0,0,1,0|1,0,0]=3 141 B9R0.79 O=C(O)C(O)C(O)C(=O)O 25560 [0,1,0,0,1,0|1,0,0]=3 142 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O 17366 [0,1,0,0,1,0|1,0,0]=3 143 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O 27095 [0,1,0,0,1,0|1,0,0]=3 144 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O 20078 [0,1,0,0,1,0|1,0,0]=3 145 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O 32011 [0,1,0,0,1,0|1,0,0]=3 146 B11R0.120 C=C(CCC(=O)OC)C(=O)OC 27664 [0,2,0,0,0,0|1,0,1]=4 147 B11R0.120 COC(=O)CCC(=O)C(=O)OC 25690 [0,2,0,0,0,0|1,0,1]=4 148 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC 20158 [0,2,0,0,0,0|0,0,0]=2 149 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC 6335 [0,2,0,0,0,0|0,0,0]=2 150 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O 13022 [0,2,0,0,0,0|1,0,0]=3 151 B11R0.141 CCOC(=O)CC[C@H](N)C(=O)O 13173 [0,2,0,0,0,0|0,0,0]=2 152 B9R1.6 O=C(O)C1CC=CCC1 11032 [1,0,0,1,0,0|2,0,0]=4 153 B9R1.6 O=C(O)C1CCCCN1 7628 [1,0,0,1,0,0|1,0,1]=4 154 B9R1.6 O=C(O)C1CCCCN1 7717 [1,0,0,1,0,0|1,0,1]=4 155 B9R1.6 O=C(O)C1CCCOC1 19540 [1,0,0,1,0,0|1,0,1]=4 156 B9R1.6 O=C(O)[C@@H]1CC=CCC1 24718 [1,0,0,1,0,0|2,0,0]=4 157 B9R1.6 O=C(O)[C@@H]1CC=CCN1 22632 [1,0,0,1,0,0|1,0,1]=4 158 B9R1.6 O=C(O)[C@@H]1CC=CCN1 22633 [1,0,0,1,0,0|1,0,1]=4 159 B9R1.6 O=C(O)[C@@H]1CCCCN1 5567 [1,0,0,1,0,0|1,0,1]=4 160 B9R1.6 O=C(O)[C@H]1CCCCN1 5635 [1,0,0,1,0,0|1,0,1]=4 161 B9R1.35 O=C1CCC(C(=O)O)C1 11090 [1,0,0,1,0,0|1,0,0]=3 162 B9R1.35 O=C1CCC(C(=O)O)N1 9493 [1,0,0,1,0,0|0,0,0]=2 163 B9R1.35 O=C1CCC(C(=O)O)O1 29015 [1,0,0,1,0,0|1,0,0]=3 164 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 8104 [1,0,0,1,0,0|0,0,0]=2 165 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 29008 [1,0,0,1,0,0|1,0,0]=3 166 B9R1.35 O=C1CC[C@H](C(=O)O)N1 8103 [1,0,0,1,0,0|0,0,0]=2 167 B9R1.35 O=C1CN[C@H](C(=O)O)C1 14289 [1,0,0,1,0,0|2,0,0]=4 168 B9R1.69 NC1CCC(=O)NC1=O 19170 [1,0,0,1,0,0|1,0,0]=3 169 B9R1.69 NC1CCC(=O)NC1=O 35912 [1,0,0,1,0,0|1,0,0]=3 170 B9R1.112 N[C@@H](CC1CC1)C(=O)O 17439 [1,0,0,1,0,0|1,0,1]=4 171 B9R1.112 N[C@H](CC1CC1)C(=O)O 29893 [1,0,0,1,0,0|1,0,1]=4 172 B9R1.163 NC1(C(=O)O)CCCC1 13875 [1,0,0,1,0,0|1,0,1]=4 173 B9R1.163 NC1(C(=O)O)CCOC1 15117 [1,0,0,1,0,0|2,0,0]=4 174 B9R1.163 N[C@@]1(C(=O)O)CCOC1 24358 [1,0,0,1,0,0|2,0,0]=4 175 B9R1.163 N[C@]1(C(=O)O)CCOC1 24359 [1,0,0,1,0,0|2,0,0]=4 176 B9R1.1 O=CC1CCC(=O)CC1 2083 [1,0,0,1,0,0|2,0,0]=4 177 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 17655 [0,0,0,1,0,1|1,0,0]=3 178 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 22355 [0,0,0,1,0,1|1,0,0]=3 179 B11R1.175 O=C(O)C1CNC(C(=O)O)C1 24487 [0,0,0,1,0,1|1,0,0]=3 180 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C(=O)O)C1 24486 [0,0,0,1,0,1|1,0,0]=3 181 B11R1.175 O=C(O)[C@@H]1CN[C@H](C(=O)O)C1 24485 [0,0,0,1,0,1|1,0,0]=3 182 B11R1.175 O=C(O)[C@@H]1C[C@@H](C(=O)O)CN1 24476 [0,0,0,1,0,1|1,0,0]=3 183 B11R1.175 O=C(O)[C@H]1CN[C@@H](C(=O)O)C1 24475 [0,0,0,1,0,1|1,0,0]=3 184 B11R1.22 COC(=O)C1CCC(=O)CC1 14010 [0,1,0,1,0,0|2,0,0]=4 185 B11R1.90 O=C(O)CCC1NCCC1O 24474 [0,1,0,1,0,0|1,0,1]=4 186 B11R1.90 O=C(O)CC[C@@H]1NCC[C@@H]1O 24473 [0,1,0,1,0,0|1,0,1]=4 187 B11R1.90 O=C(O)CC[C@@H]1NCC[C@H]1O 24472 [0,1,0,1,0,0|1,0,1]=4 188 B11R1.90 O=C(O)CC[C@H]1NCC[C@@H]1O 24470 [0,1,0,1,0,0|1,0,1]=4 189 B11R1.90 O=C(O)CC[C@H]1NCC[C@H]1O 24471 [0,1,0,1,0,0|1,0,1]=4 190 B7R0.2 C=CC(C)CC(=O)O 21406 [1,0,0,0,1,0|2,0,0]=4 191 B7R0.2 CCC(N)CC(=O)O 13448 [1,0,0,0,1,0|1,0,1]=4 192 B7R0.2 N[C@H](CO)CC(=O)O 30050 [1,0,0,0,1,0|0,0,1]=3 193 B7R0.2 N[C@H](CO)CC(=O)O 30146 [1,0,0,0,1,0|0,0,1]=3 194 B7R0.16 CC(O)C(N)C(=O)O 12340 [0,0,0,0,2,0|1,0,1]=4 195 B7R0.16 CC(O)C(N)C(=O)O 20724 [0,0,0,0,2,0|1,0,1]=4 196 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 19051 [0,0,0,0,2,0|1,0,1]=4 197 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 13029 [0,0,0,0,2,0|1,0,1]=4 198 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 24868 [0,0,0,0,2,0|1,0,1]=4 199 B7R0.16 NC(=O)C(N)C(N)=O 24631 [0,0,0,0,2,0|2,0,0]=4 200 B7R0.16 O=C(O)C(O)C(=O)O 2066 [0,0,0,0,2,0|1,0,0]=3 201 B9R0.4 CSCC[C@H](N)CC(=O)O 30081 [1,0,0,0,0,1|2,0,0]=4 202 B9R0.55 O=C(Cl)CCCCC(=O)Cl 13242 [1,0,0,0,0,1|2,0,0]=4 203 B9R0.55 O=C([O-])CCCCC(=O)[O-] 35724 [1,0,0,0,0,1|0,0,2]=4 204 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O 25091 [0,0,0,0,0,2|1,0,0]=3 205 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O 25092 [0,0,0,0,0,2|1,0,0]=3 206 B11R0.29 CC(=O)NCSC[C@H](N)C(N)=O 25095 [0,0,0,0,0,2|2,0,0]=4 207 B11R0.29 N=C(N)NCCCC(N)C(=O)O 12342 [0,0,0,0,0,2|2,0,0]=4 208 B11R0.29 N=C(N)NCCCC(N)C(=O)O 12368 [0,0,0,0,0,2|2,0,0]=4 209 B11R0.29 N=C(N)NCCCC(N)C(=O)O 7933 [0,0,0,0,0,2|2,0,0]=4 210 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O 13031 [0,0,0,0,0,2|2,0,0]=4 211 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O 7932 [0,0,0,0,0,2|2,0,0]=4 212 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O 14265 [0,0,0,0,0,2|2,0,0]=4 213 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O 7936 [0,0,0,0,0,2|2,0,0]=4 214 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O 17499 [0,0,0,0,0,2|1,0,0]=3 215 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O 25048 [0,0,0,0,0,2|1,0,0]=3