0 B9R1.35 CC(C)[C@@H]1COC(=O)N1 8176 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 CC(C)[C@H]1COC(=O)N1 2450 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 18730 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 18731 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 18392 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 21927 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 10982 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 26320 [0,0,0,0,0,0|2,1,1]=4 8 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 18395 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 12571 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 26283 [0,0,0,0,0,0|2,1,1]=4 11 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 12607 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 19691 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 8292 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 13973 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 9966 [0,0,0,0,0,0|2,0,2]=4 16 B9R1.35 O=C1CCC(C(=O)O)C1 11090 [0,0,0,0,0,0|1,0,0]=1 17 B9R1.35 O=C1CCC(C(=O)O)N1 9493 [0,0,0,0,0,0|0,0,0]=0 18 B9R1.35 O=C1CCC(C(=O)O)O1 29015 [0,0,0,0,0,0|1,0,0]=1 19 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 8104 [0,0,0,0,0,0|0,0,0]=0 20 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 29008 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.35 O=C1CC[C@H](C(=O)O)N1 8103 [0,0,0,0,0,0|0,0,0]=0 22 B9R1.35 O=C1CN[C@H](C(=O)O)C1 14289 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.1 O=C1CCC(CO)N1 21689 [1,0,0,0,0,0|0,0,1]=2 24 B8R1.1 O=C1CCC(CO)O1 21691 [1,0,0,0,0,0|1,0,1]=3 25 B8R1.1 O=C1CC[C@@H](CBr)N1 13850 [1,0,0,0,0,0|1,0,1]=3 26 B8R1.1 O=C1CC[C@@H](CO)N1 13847 [1,0,0,0,0,0|0,0,1]=2 27 B8R1.1 O=C1CC[C@@H](CO)O1 7065 [1,0,0,0,0,0|1,0,1]=3 28 B8R1.1 O=C1CC[C@H](CBr)N1 13849 [1,0,0,0,0,0|1,0,1]=3 29 B8R1.1 O=C1CC[C@H](CO)N1 13848 [1,0,0,0,0,0|0,0,1]=2 30 B8R1.1 O=C1CC[C@H](CO)O1 21692 [1,0,0,0,0,0|1,0,1]=3 31 B8R1.1 O=C1N[C@@H](CI)CO1 19948 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.1 O=C1N[C@H](CO)CO1 26420 [1,0,0,0,0,0|1,0,1]=3 33 B8R1.1 O=C1OCC(CO)O1 36276 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.7 CC(=O)C1CCCC1 16480 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.7 NC(=O)[C@@H]1CCCN1 13020 [1,0,0,0,0,0|1,0,1]=3 36 B8R1.7 NC(=O)[C@@H]1CCCN1 5667 [1,0,0,0,0,0|1,0,1]=3 37 B8R1.7 NC(=O)[C@H]1CCCN1 10997 [1,0,0,0,0,0|1,0,1]=3 38 B8R1.7 O=C(Cl)C1CCCC1 13237 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.7 O=C(Cl)C1CCOC1 30317 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.7 O=C(O)C1=CC=CN1 15698 [1,0,0,0,0,0|0,0,3]=4 41 B8R1.7 O=C(O)C1=CN=CN1 9003 [1,0,0,0,0,0|1,0,2]=4 42 B8R1.7 O=C(O)C1=NC=CN1 25373 [1,0,0,0,0,0|1,0,2]=4 43 B8R1.7 O=C(O)C1CCCC1 14153 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.7 O=C(O)C1CCCN1 20613 [1,0,0,0,0,0|0,0,1]=2 45 B8R1.7 O=C(O)C1CCCO1 7088 [1,0,0,0,0,0|1,0,1]=3 46 B8R1.7 O=C(O)C1CCNC1 10439 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.7 O=C(O)C1CCNC1 16223 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.7 O=C(O)C1CCOC1 22077 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.7 O=C(O)[C@@H]1C=CCN1 13924 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.7 O=C(O)[C@@H]1CCCO1 5795 [1,0,0,0,0,0|1,0,1]=3 51 B8R1.7 O=C(O)[C@@H]1CCNC1 11127 [1,0,0,0,0,0|2,0,0]=3 52 B8R1.7 O=C(O)[C@@H]1CCNC1 15979 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.7 O=C(O)[C@@H]1COCN1 16415 [1,0,0,0,0,0|1,0,1]=3 54 B8R1.7 O=C(O)[C@@H]1CSCN1 8297 [1,0,0,0,0,0|1,0,1]=3 55 B8R1.7 O=C(O)[C@H]1CCCN1 10979 [1,0,0,0,0,0|0,0,1]=2 56 B8R1.7 O=C(O)[C@H]1CCCO1 5796 [1,0,0,0,0,0|1,0,1]=3 57 B8R1.7 O=C(O)[C@H]1CCNC1 11126 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.7 O=C(O)[C@H]1CCNC1 15978 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.14 COC(=O)C1CCC(=O)C1 15798 [0,1,0,0,0,0|1,0,0]=2 60 B10R1.14 COC(=O)C1CNC(=O)C1 35685 [0,1,0,0,0,0|2,0,0]=3 61 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 10949 [0,1,0,0,0,0|0,0,0]=1 62 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 35210 [0,1,0,0,0,0|0,0,0]=1 63 B10R1.194 CN1C(=O)CCC1C(=O)O 34580 [0,1,0,0,0,0|0,0,0]=1 64 B10R1.359 CC1(C)NC(C(=O)O)CS1 31823 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 13929 [0,1,0,0,0,0|1,0,0]=2 66 B8R0.8 CCCC[C@@H](N)C(=O)O 27353 [0,0,1,0,0,0|1,0,1]=3 67 B8R0.8 CCCC[C@H](N)C(=O)O 21410 [0,0,1,0,0,0|1,0,1]=3 68 B8R0.8 CSCCC(N)C(=O)O 20205 [0,0,1,0,0,0|2,0,0]=3 69 B8R0.8 CSCC[C@H](N)C(=O)O 14349 [0,0,1,0,0,0|2,0,0]=3 70 B8R0.8 CSCC[C@H](N)C(=O)O 18503 [0,0,1,0,0,0|2,0,0]=3 71 B8R0.8 C[Se]CC[C@H](N)C(=O)O 13834 [0,0,1,0,0,0|2,0,0]=3 72 B8R0.8 NCCCC(N)C(=O)O 36401 [0,0,1,0,0,0|1,0,1]=3 73 B8R0.8 NCCC[C@@H](N)C(=O)O 12441 [0,0,1,0,0,0|1,0,1]=3 74 B8R0.8 NCCC[C@H](N)C(=O)O 13024 [0,0,1,0,0,0|1,0,1]=3 75 B8R0.8 NCCC[C@H](N)C(=O)O 21979 [0,0,1,0,0,0|1,0,1]=3 76 B8R0.9 COC(=O)CCC(=O)Cl 13239 [0,0,1,0,0,0|3,0,0]=4 77 B8R0.9 NCC(=O)CCC(=O)O 29927 [0,0,1,0,0,0|2,0,0]=3 78 B8R0.9 NCC(=O)NCC(=O)O 14973 [0,0,1,0,0,0|1,0,0]=2 79 B8R0.23 CC(=O)N[C@@H](C)C(=O)O 12857 [0,0,1,0,0,0|0,0,0]=1 80 B8R0.23 CC(=O)N[C@H](C)C(=O)O 12867 [0,0,1,0,0,0|0,0,0]=1 81 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl 26970 [0,0,1,0,0,0|2,0,0]=3 82 B8R0.23 CC(=O)O[C@@H](C)C(=O)O 27148 [0,0,1,0,0,0|1,0,0]=2 83 B8R0.23 NC(=O)CC(N)C(=O)O 15167 [0,0,1,0,0,0|3,0,0]=4 84 B8R0.23 NC(=O)C[C@@H](N)C(=O)O 15169 [0,0,1,0,0,0|3,0,0]=4 85 B8R0.23 NC(=O)C[C@@H](N)C(=O)O 20981 [0,0,1,0,0,0|3,0,0]=4 86 B8R0.23 NC(=O)C[C@H](N)C(=O)O 15166 [0,0,1,0,0,0|3,0,0]=4 87 B8R0.23 NC(=O)C[C@H](N)C(=O)O 24959 [0,0,1,0,0,0|3,0,0]=4 88 B8R0.23 NC(CC(=O)O)C(=O)O 12370 [0,0,1,0,0,0|3,0,0]=4 89 B8R0.23 NC(CC(=O)[O-])C(=O)O 15160 [0,0,1,0,0,0|3,0,0]=4 90 B8R0.23 N[C@@H](CC(=O)O)C(=O)O 8074 [0,0,1,0,0,0|3,0,0]=4 91 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 35349 [0,0,1,0,0,0|3,0,0]=4 92 B8R0.23 N[C@H](CC(=O)O)C(=O)O 8073 [0,0,1,0,0,0|3,0,0]=4 93 B8R0.23 O=C(O)CC(O)C(=O)O 20057 [0,0,1,0,0,0|3,0,0]=4 94 B8R0.23 O=C(O)CC(S)C(=O)O 35232 [0,0,1,0,0,0|3,0,0]=4 95 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O 6254 [0,0,1,0,0,0|3,0,0]=4 96 B8R0.23 O=C(O)C[C@@H](O)C(=O)O 7917 [0,0,1,0,0,0|3,0,0]=4 97 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 13815 [0,0,1,0,0,0|3,0,0]=4 98 B8R0.23 O=C(O)C[C@H](Cl)C(=O)O 6255 [0,0,1,0,0,0|3,0,0]=4 99 B8R0.28 CC(C)CCCC(=O)O 36049 [0,0,1,0,0,0|2,0,1]=4 100 B8R0.28 CN(C)CCCC(=O)O 35953 [0,0,1,0,0,0|3,0,0]=4 101 B8R0.28 O=C(O)CCCC(=O)O 18989 [0,0,1,0,0,0|1,0,0]=2 102 B8R0.28 O=C(O)CNCC(=O)O 35020 [0,0,1,0,0,0|2,0,0]=3 103 B8R0.28 O=C(O)COCC(O)=S 10792 [0,0,1,0,0,0|2,0,1]=4 104 B8R0.28 O=C(O)\C=C\CC(=O)O 35121 [0,0,1,0,0,0|1,0,2]=4 105 B8R1.23 C=C1CC(C(=O)O)C1 36024 [0,0,0,0,1,0|2,0,0]=3 106 B8R1.23 CC1CC(C(=O)O)C1 27314 [0,0,0,0,1,0|2,0,1]=4 107 B8R1.23 CN1CC(C(=O)O)C1 36075 [0,0,0,0,1,0|3,0,0]=4 108 B8R1.23 NC1CC(C(=O)O)C1 29386 [0,0,0,0,1,0|2,0,1]=4 109 B8R1.23 O=C1CC(C(=O)O)C1 14220 [0,0,0,0,1,0|1,0,0]=2 110 B10R1.13 CC(=O)N1CCC(=O)CC1 19615 [0,0,0,0,0,1|3,0,0]=4 111 B10R1.13 CN1CCC(C(=O)O)CC1 7222 [0,0,0,0,0,1|3,0,0]=4 112 B10R1.13 CN1CCC(C(=O)O)CC1 8007 [0,0,0,0,0,1|3,0,0]=4 113 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 2493 [0,0,0,0,0,1|2,0,1]=4 114 B10R1.13 NC(=O)C1CCC(=O)CC1 26304 [0,0,0,0,0,1|2,0,0]=3 115 B10R1.13 NC1CCC(C(=O)O)CC1 23274 [0,0,0,0,0,1|2,0,1]=4 116 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 21310 [0,0,0,0,0,1|2,0,1]=4 117 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 14085 [0,0,0,0,0,1|2,0,1]=4 118 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 4022 [0,0,0,0,0,1|1,0,2]=4 119 B10R1.13 O=C1CCC(C(=O)O)=NN1 19274 [0,0,0,0,0,1|0,0,1]=2 120 B10R1.13 O=C1CCC(C(=O)O)CC1 12606 [0,0,0,0,0,1|1,0,0]=2 121 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 31801 [0,0,0,0,0,1|1,0,0]=2 122 B10R1.113 CN1CCCC(C(=O)O)C1 8008 [0,0,0,0,0,1|3,0,0]=4 123 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 35803 [0,0,0,0,0,1|2,0,1]=4 124 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 21565 [0,0,0,0,0,1|2,0,1]=4 125 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 21587 [0,0,0,0,0,1|2,0,1]=4 126 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 21566 [0,0,0,0,0,1|2,0,1]=4 127 B10R1.113 O=C(O)[C@@H]1C[C@@H](O)CCN1 20831 [0,0,0,0,0,1|1,0,2]=4 128 B10R1.113 O=C(O)[C@H]1C[C@@H](O)CCN1 16279 [0,0,0,0,0,1|1,0,2]=4 129 B10R1.113 O=C1CCCC(C(=O)O)N1 23449 [0,0,0,0,0,1|0,0,0]=1 130 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 23450 [0,0,0,0,0,1|0,0,0]=1 131 B10R1.113 O=C1N=CC=C(C(=O)O)N1 34394 [0,0,0,0,0,1|0,0,3]=4 132 B7R0.3 COC(=O)CCC=O 29717 [1,0,1,0,0,0|2,0,0]=4 133 B7R0.4 C#CCCCC(=O)O 35033 [1,0,1,0,0,0|1,0,1]=4 134 B7R0.4 C=CCNCC(=O)O 22903 [1,0,1,0,0,0|2,0,0]=4 135 B7R0.4 NCCCCC(=O)O 18964 [1,0,1,0,0,0|0,0,1]=3 136 B7R0.4 NCCCCC(=O)O 31880 [1,0,1,0,0,0|0,0,1]=3 137 B7R0.4 O=C(O)CCCCBr 3843 [1,0,1,0,0,0|1,0,1]=4 138 B7R0.5 C#CC[C@@H](N)C(=O)O 27328 [1,0,1,0,0,0|0,0,2]=4 139 B7R0.5 C#CC[C@@H](N)C(=O)O 29746 [1,0,1,0,0,0|0,0,2]=4 140 B7R0.5 C#CC[C@H](N)C(=O)O 29745 [1,0,1,0,0,0|0,0,2]=4 141 B7R0.5 C#CC[C@H](N)C(=O)O 30431 [1,0,1,0,0,0|0,0,2]=4 142 B7R0.5 C=CC[C@@H](N)C(=O)O 29739 [1,0,1,0,0,0|0,0,1]=3 143 B7R0.5 C=CC[C@H](N)C(=O)O 29738 [1,0,1,0,0,0|0,0,1]=3 144 B7R0.5 CCCC(C)C(=O)O 2465 [1,0,1,0,0,0|1,0,1]=4 145 B7R0.5 CCC[C@H](C)C(=O)O 5642 [1,0,1,0,0,0|1,0,1]=4 146 B7R0.5 CCC[C@H](N)C(=O)O 5727 [1,0,1,0,0,0|0,0,1]=3 147 B7R0.5 NC(CCO)C(=O)O 13833 [1,0,1,0,0,0|0,0,1]=3 148 B7R0.5 NC(CCS)C(=O)O 19432 [1,0,1,0,0,0|0,1,0]=3 149 B7R0.5 NCCC(N)C(=O)O 13824 [1,0,1,0,0,0|1,0,0]=3 150 B7R0.5 NCCC(N)C(=O)O 14752 [1,0,1,0,0,0|1,0,0]=3 151 B7R0.5 NCCC(O)C(=O)O 23215 [1,0,1,0,0,0|2,0,0]=4 152 B7R0.5 NCC[C@@H](N)C(=O)O 14751 [1,0,1,0,0,0|1,0,0]=3 153 B7R0.5 NCC[C@H](N)C(=O)O 35110 [1,0,1,0,0,0|1,0,0]=3 154 B7R0.5 NCC[C@H](O)C(=O)O 5719 [1,0,1,0,0,0|2,0,0]=4 155 B7R0.5 N[C@@H](CCBr)C(=O)O 13813 [1,0,1,0,0,0|1,0,0]=3 156 B7R0.5 N[C@@H](CCO)C(=O)O 11050 [1,0,1,0,0,0|0,0,1]=3 157 B7R0.5 N[C@@H](CCS)C(=O)O 26604 [1,0,1,0,0,0|0,1,0]=3 158 B7R0.5 N[C@H](CCO)C(=O)O 13826 [1,0,1,0,0,0|0,0,1]=3 159 B7R0.5 O=C(O)[C@@H](O)CCO 16051 [1,0,1,0,0,0|1,0,1]=4 160 B7R0.6 CC(=O)CCC(=O)O 11206 [1,0,1,0,0,0|1,0,0]=3 161 B7R0.6 CC(=O)CNC(C)=O 16497 [1,0,1,0,0,0|1,0,0]=3 162 B7R0.6 CC(=O)NCC(=O)O 8849 [1,0,1,0,0,0|0,0,0]=2 163 B7R0.6 CC(=O)NNC(C)=O 23969 [1,0,1,0,0,0|2,0,0]=4 164 B7R0.6 CC(=O)OCC(=O)Cl 20920 [1,0,1,0,0,0|2,0,0]=4 165 B7R0.15 CC[C@H](CO)C(=O)O 14232 [1,0,1,0,0,0|0,0,2]=4 166 B7R1.1 O=CC1CCCC1 27475 [2,0,0,0,0,0|1,0,1]=4 167 B7R1.1 O=CC1CCCO1 27177 [2,0,0,0,0,0|1,0,1]=4 168 B7R1.1 OC[C@@H]1CCCN1 6910 [2,0,0,0,0,0|0,0,2]=4 169 B7R1.1 OC[C@H]1CCCN1 6912 [2,0,0,0,0,0|0,0,2]=4 170 B7R1.2 C[C@@H]1CCC(=O)O1 6865 [2,0,0,0,0,0|1,0,1]=4 171 B7R1.2 O=C1CC(O)CO1 35886 [2,0,0,0,0,0|2,0,0]=4 172 B7R1.2 O=C1CCC(=O)N1 13765 [2,0,0,0,0,0|0,0,1]=3 173 B7R1.2 O=C1CCC(=O)O1 21337 [2,0,0,0,0,0|1,0,1]=4 174 B7R1.2 O=C1CSC(=O)N1 17487 [2,0,0,0,0,0|1,0,1]=4 175 B7R1.2 O=C1C[C@@H](O)CN1 6351 [2,0,0,0,0,0|2,0,0]=4 176 B7R1.2 O=C1C[C@@H](O)CO1 6051 [2,0,0,0,0,0|2,0,0]=4 177 B7R1.2 O=C1C[C@H](O)CN1 19064 [2,0,0,0,0,0|2,0,0]=4 178 B7R1.2 O=C1C[C@H](O)CO1 6050 [2,0,0,0,0,0|2,0,0]=4 179 B9R0.7 CC(=O)SCC(C)C(=O)O 14067 [0,1,1,0,0,0|2,0,0]=4 180 B9R0.7 CC(C)CC[C@@H](N)C(=O)O 29929 [0,1,1,0,0,0|1,0,1]=4 181 B9R0.7 CC(C)CC[C@H](N)C(=O)O 29928 [0,1,1,0,0,0|1,0,1]=4 182 B9R0.7 CC(CCC(=O)O)C(=O)O 25995 [0,1,1,0,0,0|1,0,0]=3 183 B9R0.7 N=C(N)NC[C@H](N)C(=O)O 13814 [0,1,1,0,0,0|2,0,0]=4 184 B9R0.7 NC(=O)CCC(N)C(=O)O 19883 [0,1,1,0,0,0|0,0,0]=2 185 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O 7268 [0,1,1,0,0,0|0,0,0]=2 186 B9R0.7 NC(=O)CC[C@H](N)C(=O)O 26222 [0,1,1,0,0,0|0,0,0]=2 187 B9R0.7 NC(CCC(=O)O)B(O)O 33630 [0,1,1,0,0,0|1,0,1]=4 188 B9R0.7 NC(CCC(=O)O)B(O)O 33631 [0,1,1,0,0,0|1,0,1]=4 189 B9R0.7 NC(CCC(=O)O)C(=O)O 12377 [0,1,1,0,0,0|0,0,0]=2 190 B9R0.7 NC(CCC(=O)O)C(=O)O 12378 [0,1,1,0,0,0|0,0,0]=2 191 B9R0.7 NC(CCC(=O)O)C(=O)O 12379 [0,1,1,0,0,0|0,0,0]=2 192 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O 8516 [0,1,1,0,0,0|0,0,0]=2 193 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)[O-] 15162 [0,1,1,0,0,0|0,0,1]=3 194 B9R0.7 N[C@H](CCC(=O)O)C(=O)O 10977 [0,1,1,0,0,0|0,0,0]=2 195 B9R0.8 COC(=O)[C@@H](N)CCCN 18996 [0,1,1,0,0,0|1,0,1]=4 196 B9R0.8 COC(=O)[C@@H](N)CCSC 14925 [0,1,1,0,0,0|2,0,0]=4 197 B9R0.47 C#CCSC[C@H](N)C(=O)O 17699 [0,1,1,0,0,0|1,0,1]=4 198 B9R0.47 NCCCCC(N)C(=O)O 12390 [0,1,1,0,0,0|1,0,1]=4 199 B9R0.47 NCCCCC(N)C(=O)O 12448 [0,1,1,0,0,0|1,0,1]=4 200 B9R0.47 NCCCC[C@@H](N)C(=O)O 13028 [0,1,1,0,0,0|1,0,1]=4 201 B9R0.47 NCCCC[C@@H](N)C(=O)O 17982 [0,1,1,0,0,0|1,0,1]=4 202 B9R0.47 NCCCC[C@@H](N)C(=O)O 6286 [0,1,1,0,0,0|1,0,1]=4 203 B9R0.47 NCCCC[C@H](N)C(=O)O 23203 [0,1,1,0,0,0|1,0,1]=4 204 B9R0.47 NCCCC[C@H](N)C(=O)O 36140 [0,1,1,0,0,0|1,0,1]=4 205 B9R0.47 NCCCC[C@H](N)C(=O)O 36361 [0,1,1,0,0,0|1,0,1]=4 206 B9R0.47 NCCCC[C@H](N)C(=O)O 7967 [0,1,1,0,0,0|1,0,1]=4 207 B9R0.47 N[C@@H](CCCCO)C(=O)O 29947 [0,1,1,0,0,0|0,0,2]=4 208 B9R0.23 COC(=O)C(N)CC(=O)O 25026 [0,1,1,0,0,0|2,0,0]=4 209 B9R0.23 COC(=O)[C@@H](N)CC(=O)O 13176 [0,1,1,0,0,0|2,0,0]=4 210 B9R0.23 COC(=O)[C@H](N)CC(=O)O 25017 [0,1,1,0,0,0|2,0,0]=4 211 B9R0.48 CCOC(=O)CCC(=O)Cl 44764 [0,1,1,0,0,0|2,0,0]=4 212 B9R0.48 CCOC(=O)CCC(C)=O 11220 [0,1,1,0,0,0|2,0,0]=4 213 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O 12963 [0,1,1,0,0,0|1,0,0]=3 214 B9R0.39 CC(=O)N[C@@H](CS)C(N)=O 32309 [0,1,1,0,0,0|2,0,0]=4 215 B9R0.11 CC(=O)OC(C)(C)C(=O)Br 17437 [0,1,1,0,0,0|2,0,0]=4 216 B9R0.79 CC(C(=O)O)C(N)C(=O)O 10166 [0,1,1,0,0,0|2,0,0]=4 217 B9R0.1 COC(=O)CCCC(=O)Cl 14033 [0,1,1,0,0,0|1,0,0]=3 218 B9R0.53 CC(=O)NC(C)CC(=O)O 25642 [0,1,1,0,0,0|2,0,0]=4 219 B9R0.53 CN(CC(=O)O)CC(=O)O 4905 [0,1,1,0,0,0|2,0,0]=4 220 B9R0.53 O=C(O)CC(=O)CC(=O)O 15703 [0,1,1,0,0,0|1,0,1]=4 221 B9R0.56 NS(=O)(=O)CCCC(=O)O 24707 [0,1,1,0,0,0|1,0,0]=3 222 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 20488 [1,1,0,0,0,0|1,0,1]=4 223 B9R1.22 O=C1C[C@H](O)[C@H](CO)O1 20491 [1,1,0,0,0,0|1,0,1]=4 224 B9R1.11 COC(=O)C1CCCO1 2380 [1,1,0,0,0,0|1,0,1]=4 225 B9R1.11 COC(=O)C1CCNC1 18897 [1,1,0,0,0,0|2,0,0]=4 226 B9R1.11 COC(=O)[C@@H]1CCCN1 10887 [1,1,0,0,0,0|0,0,1]=3 227 B9R1.11 COC(=O)[C@@H]1CCNC1 20164 [1,1,0,0,0,0|2,0,0]=4 228 B9R1.11 COC(=O)[C@H]1CCCN1 10888 [1,1,0,0,0,0|0,0,1]=3 229 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O 23256 [1,1,0,0,0,0|1,0,1]=4 230 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O 19520 [1,1,0,0,0,0|1,0,1]=4 231 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O 23258 [1,1,0,0,0,0|1,0,1]=4 232 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 23259 [1,1,0,0,0,0|1,0,1]=4 233 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 27193 [1,1,0,0,0,0|1,0,1]=4 234 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 23257 [1,1,0,0,0,0|1,0,1]=4 235 B9R1.163 C[C@@]1(C(=O)O)CCCN1 22259 [1,1,0,0,0,0|0,0,1]=3 236 B9R1.163 C[C@@]1(C(=O)O)CCCN1 29353 [1,1,0,0,0,0|0,0,1]=3 237 B9R1.163 NC1(C(=O)O)CCCC1 13875 [1,1,0,0,0,0|1,0,1]=4 238 B9R1.163 NC1(C(=O)O)CCOC1 15117 [1,1,0,0,0,0|2,0,0]=4 239 B9R1.163 N[C@@]1(C(=O)O)CCOC1 24358 [1,1,0,0,0,0|2,0,0]=4 240 B9R1.163 N[C@]1(C(=O)O)CCOC1 24359 [1,1,0,0,0,0|2,0,0]=4 241 B9R1.163 O=C(O)C1(F)CCCC1 34790 [1,1,0,0,0,0|1,0,1]=4 242 B9R1.82 COC(=O)C1CC(=O)C1 27149 [0,1,0,0,1,0|1,0,0]=3 243 B11R1.22 COC(=O)C1CCC(=O)CC1 14010 [0,1,0,0,0,1|1,0,0]=3 244 B11R1.23 COC(=O)C1CCNC(=O)C1 26662 [0,1,0,0,0,1|1,0,0]=3 245 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 31810 [0,1,0,0,0,1|0,0,0]=2 246 B11R1.23 COC(=O)[C@H]1CNCC(=O)N1 31809 [0,1,0,0,0,1|0,0,0]=2 247 B11R1.23 COC(=O)[C@H]1CNCC(=O)N1 31811 [0,1,0,0,0,1|0,0,0]=2 248 B11R1.74 O=C1CC(C(=O)O)NC(=O)N1 12669 [0,1,0,0,0,1|0,0,1]=3 249 B11R1.15 CCOC(=O)C1CCC(=O)C1 30277 [0,2,0,0,0,0|1,0,0]=3 250 B11R1.15 CCOC(=O)N1CCC(=O)C1 13436 [0,2,0,0,0,0|2,0,0]=4 251 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 15818 [0,2,0,0,0,0|0,0,0]=2 252 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 18616 [0,2,0,0,0,0|0,0,0]=2 253 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 17655 [0,2,0,0,0,0|1,0,1]=4 254 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 22355 [0,2,0,0,0,0|1,0,1]=4 255 B9R1.6 O=C(O)C1CC=CCC1 11032 [0,0,1,1,0,0|2,0,0]=4 256 B9R1.6 O=C(O)C1CCCCN1 7628 [0,0,1,1,0,0|1,0,1]=4 257 B9R1.6 O=C(O)C1CCCCN1 7717 [0,0,1,1,0,0|1,0,1]=4 258 B9R1.6 O=C(O)[C@@H]1CC=CCC1 24718 [0,0,1,1,0,0|2,0,0]=4 259 B9R1.6 O=C(O)[C@@H]1CC=CCN1 22632 [0,0,1,1,0,0|1,0,1]=4 260 B9R1.6 O=C(O)[C@@H]1CC=CCN1 22633 [0,0,1,1,0,0|1,0,1]=4 261 B9R1.6 O=C(O)[C@@H]1CCCCN1 5567 [0,0,1,1,0,0|1,0,1]=4 262 B9R1.6 O=C(O)[C@H]1CCCCN1 5635 [0,0,1,1,0,0|1,0,1]=4 263 B9R1.69 NC1CCC(=O)NC1=O 19170 [0,0,1,1,0,0|1,0,0]=3 264 B9R1.69 NC1CCC(=O)NC1=O 35912 [0,0,1,1,0,0|1,0,0]=3 265 B9R1.112 N[C@@H](CC1CC1)C(=O)O 17439 [0,0,1,1,0,0|1,0,1]=4 266 B9R1.112 N[C@H](CC1CC1)C(=O)O 29893 [0,0,1,1,0,0|1,0,1]=4 267 B9R2.39 O=C1N[C@H]2C=C[C@@H]1C2 35281 [1,0,0,1,0,0|1,0,0]=3 268 B9R2.139 O=C1CCC2(CC2)N1 25552 [1,0,0,1,0,0|1,0,1]=4 269 B7R0.16 O=C(O)C(O)C(=O)O 2066 [0,0,1,0,1,0|2,0,0]=4 270 B7R1.18 O=C(O)C1CCC1 14139 [1,0,0,0,1,0|0,0,1]=3 271 B7R1.18 O=C(O)C1CCN1 19101 [1,0,0,0,1,0|0,0,0]=2 272 B7R1.18 O=C(O)C1CCN1 24713 [1,0,0,0,1,0|0,0,0]=2 273 B7R1.18 O=C(O)C1CCO1 18479 [1,0,0,0,1,0|1,0,0]=3 274 B7R1.18 O=C(O)C1CNC1 10160 [1,0,0,0,1,0|1,0,1]=4 275 B7R1.18 O=C(O)C1CNC1 30447 [1,0,0,0,1,0|1,0,1]=4 276 B7R1.18 O=C(O)[C@@H]1CCN1 5731 [1,0,0,0,1,0|0,0,0]=2 277 B9R0.4 CSCC[C@H](N)CC(=O)O 30081 [0,0,1,0,0,1|2,0,0]=4 278 B9R0.55 O=C(Cl)CCCCC(=O)Cl 13242 [0,0,1,0,0,1|2,0,0]=4 279 B9R0.55 O=C([O-])CCCCC(=O)[O-] 35724 [0,0,1,0,0,1|1,0,1]=4 280 B9R1.13 O=C(O)CC1C=CCC1 31950 [1,0,0,0,0,1|1,0,0]=3 281 B9R1.13 O=C(O)CC1CCCO1 15380 [1,0,0,0,0,1|1,0,1]=4 282 B9R1.13 O=C(O)C[C@@H]1CCCN1 15697 [1,0,0,0,0,1|0,0,1]=3 283 B11R1.20 CC(=O)NC1CCC(=O)CC1 16424 [0,0,0,0,0,2|2,0,0]=4