0 B9R0.13 CCCC[C@@H](CO)C(=O)O 62404 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.13 CCCC[C@H](NC)C(=O)O AT16731 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.13 CCCC[C@H](NC)C(=O)O C15089 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.13 CCCC[C@H](OC)C(=O)O AC6557 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.8 CC(=O)N(C)CCCN C78500 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.8 CCCC[C@H](C)C(C)C T70746 [1,0,0,0,0,0|1,0,1]=3 6 B8R0.8 CCCC[C@H](N)C(N)=O S11604 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.8 CCOC[C@H](N)C(=O)O AT12801 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.15 CCC[C@H](NC)C(=O)O AT16735 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.15 CCC[C@H](NC)C(=O)O C15224 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.15 CCC[C@H](OC)C(=O)O AC8429 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.15 CCO[C@@H](CC)C(=O)O AC6373 [1,0,0,0,0,0|3,0,0]=4 12 B10R0.86 CN[C@@H](CCCCN)C(=O)O AT16724 [0,1,0,0,0,0|3,0,0]=4 13 B10R0.88 CCCC[C@H](CCC)C(=O)O D86923 [0,1,0,0,0,0|2,0,0]=3 14 B10R0.88 CCCC[C@H](OCC)C(=O)O AC2659 [0,1,0,0,0,0|2,0,0]=3 15 B10R0.133 CCCC[C@@](N)(CC)C(=O)O D78555 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.13 CC(=O)C1CCC(=O)CC1 F53160 [0,0,0,1,0,0|2,0,1]=4 17 B10R1.13 C[C@@H]1CC[C@H](C(=O)O)CN1 C90710 [0,0,0,1,0,0|2,0,0]=3 18 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CN1 F18655 [0,0,0,1,0,0|2,0,0]=3 19 B10R1.13 NC(=O)C1CCC(O)CC1 P18990 [0,0,0,1,0,0|3,0,0]=4 20 B10R1.19 CCN1CCCNCC1=O AT20058 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.19 N#C[C@H]1CCCCCC1=O AC9253 [0,0,0,1,0,0|1,0,1]=3 22 B10R1.29 CCCC[C@H]1CCCC1=O O10708 [0,0,0,1,0,0|1,0,0]=2 23 B10R1.29 COCC[C@H]1CCNC1=O AT19072 [0,0,0,1,0,0|3,0,0]=4 24 B10R1.29 N#CCC[C@H]1CCCC1=O AC8276 [0,0,0,1,0,0|2,0,1]=4 25 B10R1.31 CC(=O)N1CC[C@H](CO)C1 P19907 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.35 CCN1C[C@@H](CN)CC1=O AT19151 [0,0,0,1,0,0|3,0,0]=4 27 B10R1.35 CCN1C[C@@H](CO)CC1=O AT19129 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.61 CC1CNCCC1C(=O)O 33568 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.61 CN(C)C1CCCCC1N W19216 [0,0,0,1,0,0|3,0,0]=4 30 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1O AT22768 [0,0,0,1,0,0|2,0,0]=3 31 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O 92901 [0,0,0,1,0,0|3,0,0]=4 32 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O AT11559 [0,0,0,1,0,0|3,0,0]=4 33 B10R1.61 C[C@@H]1NCCC[C@@H]1C(=O)O AT23064 [0,0,0,1,0,0|3,0,0]=4 34 B10R1.61 NC(=O)C1CCCCC1N AT21040 [0,0,0,1,0,0|2,0,0]=3 35 B10R1.61 NC1CCCCC1C(=O)O 71292 [0,0,0,1,0,0|2,0,0]=3 36 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O AT19404 [0,0,0,1,0,0|3,0,0]=4 37 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98384 [0,0,0,1,0,0|3,0,0]=4 38 B10R1.348 O=C(O)[C@H]1CCCNCC1 98343 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.437 COCCC1(C(=O)O)CC1 AC4197 [0,0,0,1,0,0|3,0,0]=4 40 B10R1.477 N#CC1(C(=O)O)CCCC1 71630 [0,0,0,1,0,0|2,0,1]=4 41 B10R1.477 O=C(O)[C@]1(CO)CCCO1 C15808 [0,0,0,1,0,0|2,0,0]=3 42 B7R0.3 CCCC[C@H](N)CO D75114 [2,0,0,0,0,0|1,0,0]=3 43 B7R0.3 CCCC[C@H](N)CO H10583 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.4 CC(=O)NCCCN AR2174 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.4 CCCCCC(N)=S W19000 [2,0,0,0,0,0|1,1,0]=4 46 B7R0.4 CCNCCC(N)=O A11725 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.4 CNCCCC(N)=O AB11605 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.4 CNCCNC(C)=O C77870 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.4 C[S@](=O)CCCCN 13216 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.4 NC(=O)CCCCBr AC9465 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.4 NC(=O)CCCCCl AC5718 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.4 NCCCCC(N)=O AC3685 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.5 CC(=O)[C@@H](C)CCBr AC2947 [2,0,0,0,0,0|1,0,0]=3 54 B7R0.5 CCC[C@H](O)C(N)=O AC9726 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.15 CCC(CC)C(N)=O AC2944 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.15 CC[C@@H](CN)C(=O)O 97589 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.15 NC[C@@H](CO)C(=O)O FD10273 [2,0,0,0,0,0|2,0,0]=4 58 B9R0.6 CCC[C@H](N)C(O)C(=O)O 81432 [1,1,0,0,0,0|1,0,0]=3 59 B9R0.47 NCCCC[C@H]([15NH2])C(=O)O D98677 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.51 CCCC[C@](C)(O)C(=O)O D86692 [1,1,0,0,0,0|1,0,0]=3 61 B9R0.51 [2H]C([2H])(CCCC)C(=O)O D97875 [1,1,0,0,0,0|2,0,0]=4 62 B9R0.67 CCCCC(C)(CC)CC T71920 [1,1,0,0,0,0|1,0,1]=4 63 B9R0.15 CCC[C@H](OCC)C(=O)O AC7206 [1,1,0,0,0,0|2,0,0]=4 64 B9R0.15 COCC(COC)C(=O)O C16755 [1,1,0,0,0,0|2,0,0]=4 65 B9R0.33 CCC[C@H](C(=O)O)C(C)C F19287 [1,1,0,0,0,0|2,0,0]=4 66 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 28116 [1,1,0,0,0,0|2,0,0]=4 67 B11R0.78 CCC[C@@H](CCCCN)C(=O)O C77509 [0,2,0,0,0,0|2,0,0]=4 68 B9R1.5 CN1CCNCCC1=O AT20060 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.5 C[C@@H]1OCCCNC1=O 73063 [1,0,0,1,0,0|2,0,0]=4 70 B9R1.5 N[C@H]1CCCCC[C@@H]1O AT10930 [1,0,0,1,0,0|1,0,1]=4 71 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [1,0,0,1,0,0|1,0,0]=3 72 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [1,0,0,1,0,0|1,0,0]=3 73 B9R1.5 O=C1CCNCC[C@@H]1Br C90706 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.5 O=C1NCCCC[C@@H]1Br F50955 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.6 CC(=O)[C@@H]1CCCCN1 F16683 [1,0,0,1,0,0|1,0,0]=3 76 B9R1.6 CC(=O)[C@H]1CCCNC1 P11325 [1,0,0,1,0,0|1,0,0]=3 77 B9R1.6 CC(=O)[C@H]1CCCOC1 AT13308 [1,0,0,1,0,0|1,0,0]=3 78 B9R1.6 C[C@H](Br)C1CCCCC1 O10008 [1,0,0,1,0,0|1,0,1]=4 79 B9R1.6 C[C@H](N)C1CCCCC1 79907 [1,0,0,1,0,0|1,0,1]=4 80 B9R1.6 C[C@H](N)C1CCCCC1 79908 [1,0,0,1,0,0|1,0,1]=4 81 B9R1.6 C[C@H](N)C1CCCCO1 79891 [1,0,0,1,0,0|1,0,1]=4 82 B9R1.6 C[C@H](O)C1CCCCC1 D77196 [1,0,0,1,0,0|0,0,2]=4 83 B9R1.6 NC(=O)[C@@H]1CCCCN1 CS3415 [1,0,0,1,0,0|2,0,0]=4 84 B9R1.6 NC(=O)[C@@H]1CNCCO1 W13722 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.6 O=C(O)[C@@H]1CCCCS1 90959 [1,0,0,1,0,0|1,1,0]=4 86 B9R1.35 CC(=O)N1CC[C@H](N)C1 C72166 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53665 [1,0,0,1,0,0|1,0,1]=4 88 B9R1.35 CN1CC[C@H](C(=O)O)C1 P14492 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT11433 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 AC1030 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 S11069 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.69 CN1CC[C@H](N)CC1=O P10312 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.95 CC(=O)N1CC(CN)C1 AB10325 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.110 C[C@@H](C(=O)O)N1CCC1 AT24076 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.110 N[C@H](C(=O)O)C1CCC1 F51887 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.110 O=C(O)[C@@H](Br)C1CCC1 D79277 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.163 C[C@]1(C(=O)O)CCNC1 D72045 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.163 O=C(O)[C@]1(O)CCNC1 32143 [1,0,0,1,0,0|2,0,0]=4 99 B9R1.163 O=C(O)[C@]1(O)CCOC1 F53622 [1,0,0,1,0,0|2,0,0]=4 100 B9R1.1 CC1CCC(CBr)CC1 72498 [1,0,0,1,0,0|1,0,1]=4 101 B9R1.1 CC1CCC(CCl)CC1 AC2846 [1,0,0,1,0,0|1,0,1]=4 102 B9R1.1 CC1COC(CO)CN1 AT20471 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.1 C[C@H]1CCC(CO)CN1 93005 [1,0,0,1,0,0|1,0,1]=4 104 B9R1.1 C[C@H]1CN[C@@H](CO)CN1 AT10066 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.1 C[C@H]1CN[C@@H](CO)CN1 AT10068 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.12 CCCC[C@H]1CCCN1 N12661 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.15 CCC1CCCCC1C T72380 [1,0,0,1,0,0|1,0,1]=4 108 B9R1.15 CCC1CCCCC1O D90497 [1,0,0,1,0,0|0,0,1]=3 109 B9R1.15 CC[C@H]1CNCCC1=O O11002 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.15 COC1CCCCC1N C77572 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.15 CO[C@H]1CCCC[C@@H]1N 89668 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.15 CO[C@H]1CCCC[C@@H]1O A12017 [1,0,0,1,0,0|1,0,0]=3 113 B9R1.15 CO[C@H]1CCNC[C@@H]1O P16832 [1,0,0,1,0,0|2,0,0]=4 114 B9R1.15 NCC1CCCCC1O C77667 [1,0,0,1,0,0|1,0,1]=4 115 B9R1.15 N[C@H]1CCCC[C@@H]1CO C80022 [1,0,0,1,0,0|1,0,1]=4 116 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [1,0,0,1,0,0|0,0,0]=2 117 B9R1.15 O=C[C@@H]1CCCCC1=O AT23975 [1,0,0,1,0,0|0,0,2]=4 118 B9R1.21 CO[C@@H]1CN[C@@H](CO)C1 AT22832 [1,0,0,1,0,0|2,0,0]=4 119 B9R1.70 CO[C@@H](CN)C1CCC1 AT11482 [1,0,0,1,0,0|2,0,0]=4 120 B9R1.89 CN[C@H]1CCCCNC1 97599 [1,0,0,1,0,0|2,0,0]=4 121 B9R1.89 CN[C@H]1CCCCNC1 97600 [1,0,0,1,0,0|2,0,0]=4 122 B9R1.89 O=CC1CCCCCC1 AT13628 [1,0,0,1,0,0|1,0,0]=3 123 B9R1.89 OC[C@H]1CCCNCC1 73020 [1,0,0,1,0,0|1,0,1]=4 124 B9R1.132 C[C@@H]1CC[C@H](CN)N1C AT23119 [1,0,0,1,0,0|2,0,0]=4 125 B9R1.204 N#CC1(CO)CCCC1 F13179 [1,0,0,1,0,0|1,0,1]=4 126 B9R1.204 NCC1(CO)CCCC1 C78066 [1,0,0,1,0,0|1,0,1]=4 127 B9R1.24 O=S1(=O)CCC[C@@H]1CO AT13048 [1,0,0,1,0,0|2,0,0]=4 128 B9R1.41 CC(=O)[C@@H]1CCCC1=O F17111 [1,0,0,1,0,0|0,0,2]=4 129 B9R1.41 CN(C)[C@H]1CCC[C@@H]1O D79451 [1,0,0,1,0,0|2,0,0]=4 130 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O E71624 [1,0,0,1,0,0|2,0,0]=4 131 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O W15326 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O AT13997 [1,0,0,1,0,0|2,0,0]=4 133 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13975 [1,0,0,1,0,0|2,0,0]=4 134 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P14778 [1,0,0,1,0,0|2,0,0]=4 135 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P16430 [1,0,0,1,0,0|2,0,0]=4 136 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P14685 [1,0,0,1,0,0|2,0,0]=4 137 B9R1.119 O=C(O)C1(CBr)CCC1 F31329 [1,0,0,1,0,0|2,0,0]=4 138 B9R1.119 O=C(O)C1(CO)COC1 AC1691 [1,0,0,1,0,0|2,0,0]=4 139 B11R1.24 CCCC[C@H]1CC(=O)CCN1 S11327 [0,0,0,1,0,1|2,0,0]=4 140 B11R1.167 CN1CC[C@H](O)[C@@H](C(=O)O)C1 AT24337 [0,1,0,1,0,0|2,0,0]=4 141 B11R1.167 CN1CC[C@H](O)[C@@H](C(=O)O)C1 AT24773 [0,1,0,1,0,0|2,0,0]=4 142 B11R1.167 CN1CC[C@H](O)[C@H](C(=O)O)C1 AT24336 [0,1,0,1,0,0|2,0,0]=4 143 B11R1.266 CC(=O)N1CCO[C@@H](CN)C1 72567 [0,1,0,1,0,0|2,0,0]=4 144 B11R1.727 CC1(C)CN[C@H](C(=O)O)CO1 60617 [0,1,0,1,0,0|2,0,0]=4 145 B11R1.727 CC1(C)CN[C@H](C(=O)O)CO1 F12508 [0,1,0,1,0,0|2,0,0]=4 146 B11R1.22 CNC(=O)[C@H]1CC[C@H](N)CC1 D96644 [0,1,0,1,0,0|2,0,0]=4 147 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 70015 [0,1,0,1,0,0|1,0,0]=3 148 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 P14642 [0,1,0,1,0,0|1,0,0]=3 149 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 P19193 [0,1,0,1,0,0|1,0,0]=3 150 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 W19558 [0,1,0,1,0,0|1,0,0]=3 151 B11R1.44 COC(=O)C1CCC(CO)C1 AT13550 [0,1,0,1,0,0|2,0,0]=4 152 B11R1.44 COC(=O)[C@H]1CC[C@@H](CBr)C1 D95216 [0,1,0,1,0,0|2,0,0]=4 153 B11R1.222 COC(=O)C1CCCCC1N F52864 [0,1,0,1,0,0|1,0,0]=3 154 B11R1.222 COC(=O)C1CCCCC1O D76886 [0,1,0,1,0,0|0,0,0]=2 155 B11R1.222 COC(=O)C1CCCNC1C F30030 [0,1,0,1,0,0|2,0,0]=4 156 B11R1.222 COC(=O)C1COCCC1N D87017 [0,1,0,1,0,0|2,0,0]=4 157 B11R1.222 COC(=O)C1NCCCC1O AC4816 [0,1,0,1,0,0|1,0,0]=3 158 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N 20978 [0,1,0,1,0,0|1,0,0]=3 159 B11R1.222 COC(=O)[C@H]1CCCN[C@H]1C AC4979 [0,1,0,1,0,0|2,0,0]=4 160 B11R1.852 COC(=O)[C@@H]1CCCCCN1 I11326 [0,1,0,1,0,0|2,0,0]=4 161 B11R1.852 COC(=O)[C@@H]1CNCCCO1 AC5424 [0,1,0,1,0,0|2,0,0]=4 162 B11R1.852 COC(=O)[C@H]1CCCNCC1 P11164 [0,1,0,1,0,0|2,0,0]=4 163 B11R1.3 CC(=O)N1CCC(CN)CC1 C77972 [0,1,0,1,0,0|2,0,0]=4 164 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 A11785 [0,1,0,1,0,0|2,0,0]=4 165 B11R1.124 CCN[C@H]1CCN(C(C)=O)C1 77405 [0,1,0,1,0,0|2,0,0]=4 166 B11R1.298 CC[C@@H](C(=O)O)N1CCCC1 AC5088 [0,1,0,1,0,0|2,0,0]=4 167 B11R1.298 CC[C@@H](C(=O)O)N1CCCC1 AC5093 [0,1,0,1,0,0|2,0,0]=4 168 B11R1.298 CC[C@@H](C(=O)O)N1CCCC1 AC6973 [0,1,0,1,0,0|2,0,0]=4 169 B11R1.1074 NCC1(C(N)=O)CCOCC1 72095 [0,1,0,1,0,0|2,0,0]=4 170 B11R1.1239 C=CCC1(C(=O)O)CCCC1 C77484 [0,1,0,1,0,0|2,0,0]=4 171 B11R1.220 CC1CCC(N)(C(=O)O)CC1 AC8412 [0,1,0,1,0,0|2,0,0]=4 172 B11R1.737 O=C(O)C1(O)CCCCCC1 D87048 [0,1,0,1,0,0|2,0,0]=4 173 B11R2.48 O=C1N[C@H]2CC[C@@H]1CNC2 AT25021 [0,0,0,2,0,0|2,0,0]=4 174 B11R2.845 CC(=O)C1CC2CCC1O2 F50487 [0,0,0,2,0,0|0,0,0]=2 175 B11R2.845 O=C(O)C1CC2CCC1O2 F51361 [0,0,0,2,0,0|1,0,0]=3 176 B11R2.738 O=C1NC2CC1C(O)C2O W12262 [0,0,0,2,0,0|2,0,0]=4 177 B9R0.4 CCCC[C@H](N)CC(=O)O N14199 [1,0,0,0,0,1|2,0,0]=4 178 B9R0.4 CCCC[C@H](N)CC(=O)O N14200 [1,0,0,0,0,1|2,0,0]=4 179 B9R0.14 CC(=O)N[C@H](CO)CCO AB10263 [1,0,0,0,0,1|1,0,0]=3