0 B8R0.8 C=CCC[C@H](N)C(=O)O AT23573 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.8 C=CCC[C@H](N)C(=O)O AT23574 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.8 CC#CC[C@H](N)C(=O)O C15512 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.8 CCCC[C@H](N)C(N)=O S11604 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.8 CCOC[C@H](N)C(=O)O AT12801 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.3 CC#CC[C@H](N)CO D75108 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.3 CCCC[C@H](N)CO D75114 [1,0,0,0,0,0|1,0,1]=3 7 B7R0.3 CCCC[C@H](N)CO H10583 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.4 C#CCNCC(=O)O AT20711 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 C#CCOCC(=O)O AT18966 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.4 C#CCSCC(=O)O AT18970 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.4 C=CCOCC(=O)O D77063 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.4 CCCCCC(N)=S W19000 [1,0,0,0,0,0|2,1,0]=4 13 B7R0.4 CCNCCC(N)=O A11725 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.4 CC\C=C/CC(=O)O F18341 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.4 CNCCCC(N)=O AB11605 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.4 CNCCNC(C)=O C77870 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.4 COCCC[N+](=O)[O-] E70181 [1,0,0,0,0,0|1,1,1]=4 18 B7R0.4 COC\C=C\C(=O)O P17072 [1,0,0,0,0,0|0,1,2]=4 19 B7R0.4 NC(=O)CCCCBr AC9465 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.4 NC(=O)CCCCCl AC5718 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.4 NCCCCC(N)=O AC3685 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.4 NCCSCC(=O)O AT25571 [1,0,0,0,0,0|3,0,0]=4 23 B7R0.5 CC(=O)[C@@H](C)CCBr AC2947 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.5 CCCC(=O)C(N)=O AC9508 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.5 CCC[C@H](O)C(N)=O AC9726 [1,0,0,0,0,0|2,0,0]=3 26 B7R0.5 CNC[C@H](N)C(=O)O 88602 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.5 C[Se]C[C@H](N)C(=O)O C16524 [1,0,0,0,0,0|0,1,0]=2 28 B7R0.5 NCC[C@H](F)C(=O)O F19724 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.5 NCC[C@H](N)C(=O)O F10323 [1,0,0,0,0,0|1,0,0]=2 30 B9R0.3 CSCC[C@H](N)C(C)(C)O 38130 [0,1,0,0,0,0|1,0,1]=3 31 B9R0.6 CCC[C@H](N)C(O)C(=O)O 81432 [0,1,0,0,0,0|2,0,0]=3 32 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50387 [0,1,0,0,0,0|1,0,1]=3 33 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50388 [0,1,0,0,0,0|1,0,1]=3 34 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50389 [0,1,0,0,0,0|1,0,1]=3 35 B9R0.7 N=C(N)NC[C@H](N)C(=O)O AC4354 [0,1,0,0,0,0|3,0,0]=4 36 B9R0.7 O=C(O)CC[C@H](O)C(=O)O FD21404 [0,1,0,0,0,0|3,0,0]=4 37 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(=O)O 41401 [0,1,0,0,0,0|2,0,0]=3 38 B9R0.8 C=CCC[C@H](N)C(=O)OC AT15758 [0,1,0,0,0,0|1,0,1]=3 39 B9R0.13 CCCC[C@@H](CO)C(=O)O 62404 [0,1,0,0,0,0|2,0,0]=3 40 B9R0.13 CCCC[C@H](NC)C(=O)O AT16731 [0,1,0,0,0,0|1,0,0]=2 41 B9R0.13 CCCC[C@H](NC)C(=O)O C15089 [0,1,0,0,0,0|1,0,0]=2 42 B9R0.13 CCCC[C@H](OC)C(=O)O AC6557 [0,1,0,0,0,0|2,0,0]=3 43 B9R0.42 COC(=O)C[C@H](C)C(=O)O FD10315 [0,1,0,0,0,0|1,1,1]=4 44 B9R0.42 COC(=O)C[C@H](O)C(=O)O AT10894 [0,1,0,0,0,0|1,1,1]=4 45 B9R0.47 CCCCCC(=O)C(=O)O A11260 [0,1,0,0,0,0|2,0,1]=4 46 B9R0.47 NCCCC[C@H]([15NH2])C(=O)O D98677 [0,1,0,0,0,0|1,0,0]=2 47 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O C70032 [0,1,0,0,0,0|2,0,0]=3 48 B9R0.51 CCCC[C@](C)(O)C(=O)O D86692 [0,1,0,0,0,0|2,0,0]=3 49 B9R0.51 [2H]C([2H])(CCCC)C(=O)O D97875 [0,1,0,0,0,0|2,0,0]=3 50 B9R0.51 [2H][C@](N)(CCSC)C(=O)O D97873 [0,1,0,0,0,0|0,0,0]=1 51 B9R1.5 N[C@H]1CCCCC[C@@H]1O AT10930 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.5 N[C@H]1CSCCNC1=O C16734 [0,0,0,1,0,0|3,0,0]=4 53 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [0,0,0,1,0,0|3,0,0]=4 54 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [0,0,0,1,0,0|3,0,0]=4 55 B9R1.5 O=C1CCNCC[C@@H]1Br C90706 [0,0,0,1,0,0|3,0,0]=4 56 B9R1.5 O=C1NCCCC[C@@H]1Br F50955 [0,0,0,1,0,0|3,0,0]=4 57 B9R1.6 CC(=O)[C@@H]1CCCCN1 F16683 [0,0,0,1,0,0|2,0,0]=3 58 B9R1.6 NC(=O)[C@@H]1CCCCN1 CS3415 [0,0,0,1,0,0|2,0,0]=3 59 B9R1.6 NC(=O)[C@@H]1COCCN1 F17613 [0,0,0,1,0,0|3,0,0]=4 60 B9R1.6 NC(=O)[C@@H]1COCCN1 F19100 [0,0,0,1,0,0|3,0,0]=4 61 B9R1.6 O=C(O)[C@@H]1CCCCS1 90959 [0,0,0,1,0,0|2,0,0]=3 62 B9R1.6 O=C(O)[C@@H]1CCCNN1 50467 [0,0,0,1,0,0|2,0,0]=3 63 B9R1.6 O=C(O)[C@@H]1CSCCN1 77694 [0,0,0,1,0,0|2,0,0]=3 64 B9R1.35 CN1CC[C@H](C(=O)O)C1 P14492 [0,0,0,1,0,0|2,0,0]=3 65 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT11433 [0,0,0,1,0,0|1,0,0]=2 66 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 AC1030 [0,0,0,1,0,0|3,0,0]=4 67 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 S11069 [0,0,0,1,0,0|3,0,0]=4 68 B9R1.35 O=C1N[C@H](C(=O)O)CO1 93866 [0,0,0,1,0,0|3,0,0]=4 69 B9R1.69 N[C@H]1CCC(=O)NC1=O AC9237 [0,0,0,1,0,0|3,0,0]=4 70 B9R1.110 C[C@@H](C(=O)O)N1CCC1 AT24076 [0,0,0,1,0,0|3,0,0]=4 71 B9R1.110 N[C@H](C(=O)O)C1CCC1 F51887 [0,0,0,1,0,0|1,0,0]=2 72 B9R1.110 O=C(O)[C@@H](Br)C1CCC1 D79277 [0,0,0,1,0,0|2,0,0]=3 73 B9R1.163 CC1(C(=O)O)CSSC1 C15279 [0,0,0,1,0,0|2,0,0]=3 74 B9R1.163 C[C@]1(C(=O)O)CCNC1 D72045 [0,0,0,1,0,0|2,0,0]=3 75 B9R1.163 N[C@@]1(C(=O)O)CCNC1 F19622 [0,0,0,1,0,0|1,0,0]=2 76 B9R1.163 O=C(O)[C@]1(F)CCNC1 P12597 [0,0,0,1,0,0|2,0,0]=3 77 B9R1.163 O=C(O)[C@]1(O)CCNC1 32143 [0,0,0,1,0,0|2,0,0]=3 78 B9R1.163 O=C(O)[C@]1(O)CCOC1 F53622 [0,0,0,1,0,0|1,1,0]=3 79 B9R1.163 [2H][C@@]1(C(=O)O)CCCN1 D98940 [0,0,0,1,0,0|3,0,0]=4 80 B9R0.4 CCCC[C@H](N)CC(=O)O N14199 [0,0,0,0,0,1|1,0,0]=2 81 B9R0.4 CCCC[C@H](N)CC(=O)O N14200 [0,0,0,0,0,1|1,0,0]=2 82 B6R0.1 C=C[C@@H](C)CCC T72328 [2,0,0,0,0,0|2,0,0]=4 83 B6R0.1 COC[C@@H](N)CO 91276 [2,0,0,0,0,0|0,1,1]=4 84 B6R0.1 COC[C@@H](N)CO 91277 [2,0,0,0,0,0|0,1,1]=4 85 B6R0.1 COC[C@@H](N)CO C90595 [2,0,0,0,0,0|0,1,1]=4 86 B6R0.1 CSC[C@@H](N)CO 96818 [2,0,0,0,0,0|0,0,1]=3 87 B6R0.1 CSC[C@@H](N)CO 96819 [2,0,0,0,0,0|0,0,1]=3 88 B6R0.1 N[C@H](CO)CCO AB10001 [2,0,0,0,0,0|0,1,1]=4 89 B6R0.4 CC#CCC(=O)O AT21835 [2,0,0,0,0,0|0,0,2]=4 90 B6R0.4 CCNCC(=O)O T72729 [2,0,0,0,0,0|1,0,0]=3 91 B6R0.4 CNCCC(N)=O C78256 [2,0,0,0,0,0|1,0,1]=4 92 B6R0.4 NC(=O)CCCO AT20755 [2,0,0,0,0,0|1,1,0]=4 93 B6R0.4 NCCCC(=O)O T70552 [2,0,0,0,0,0|1,0,0]=3 94 B6R0.4 NCCCC(N)=O AC5898 [2,0,0,0,0,0|2,0,0]=4 95 B6R0.4 NOCCC(=O)O AT14539 [2,0,0,0,0,0|1,1,0]=4 96 B6R0.3 C=C(CC)C(=O)O 81925 [2,0,0,0,0,0|1,0,1]=4 97 B6R0.3 C=C[C@H](N)C(=O)O 33549 [2,0,0,0,0,0|0,0,2]=4 98 B6R0.3 C=C[C@H](N)C(=O)O 33604 [2,0,0,0,0,0|0,0,2]=4 99 B6R0.3 C=C[C@H](N)C(=O)O F31266 [2,0,0,0,0,0|0,0,2]=4 100 B6R0.3 CCC(N)C(C)O N14662 [2,0,0,0,0,0|1,0,1]=4 101 B6R0.3 CC[C@H](S)C(=O)O F11548 [2,0,0,0,0,0|1,0,0]=3 102 B6R0.3 C[C@@H](CN)C(=O)O 32005 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.3 NC(=O)[C@@H](N)CO D75097 [2,0,0,0,0,0|1,1,0]=4 104 B6R0.3 NC(=O)[C@@H](N)CO D75099 [2,0,0,0,0,0|1,1,0]=4 105 B6R0.3 NC[C@H](F)C(=O)O 94840 [2,0,0,0,0,0|2,0,0]=4 106 B6R0.3 NC[C@H](F)C(=O)O 94844 [2,0,0,0,0,0|2,0,0]=4 107 B6R0.3 NC[C@H](F)C(=O)O 94847 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.3 N[C@@H](CCl)C(=O)O FD21125 [2,0,0,0,0,0|1,0,0]=3 109 B6R0.3 O=C(O)[C@@H](Br)CF AT22926 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.3 O=C(O)[C@@H](Cl)CO 21136 [2,0,0,0,0,0|1,1,0]=4 111 B6R0.3 [15NH2][C@@H](CO)C(=O)O 41392 [2,0,0,0,0,0|0,1,0]=3 112 B8R0.1 CCCC[C@H](N)CCO D73273 [1,1,0,0,0,0|1,0,1]=4 113 B8R0.3 CCCC(C)C(N)CO AT16873 [1,1,0,0,0,0|1,0,1]=4 114 B8R0.9 CC(C)CC[C@H](N)CO AT16865 [1,1,0,0,0,0|1,0,1]=4 115 B8R0.19 CCC(C)CC(N)CO AT16871 [1,1,0,0,0,0|1,0,1]=4 116 B8R0.25 CCCC[C@](C)(N)CO AT11270 [1,1,0,0,0,0|1,0,1]=4 117 B8R0.5 C=CC[C@H](N)CC(=O)O 77811 [1,1,0,0,0,0|1,0,1]=4 118 B8R0.5 CCC[C@H](N)CC(=O)O N15479 [1,1,0,0,0,0|1,0,0]=3 119 B8R0.5 CCC[C@H](N)CC(=O)O N15480 [1,1,0,0,0,0|1,0,0]=3 120 B8R0.7 CCCCC#CC(=O)O T71801 [1,1,0,0,0,0|1,0,1]=4 121 B8R0.7 CCCCNCC(=O)O D87235 [1,1,0,0,0,0|1,0,0]=3 122 B8R0.7 CNCCCNC(C)=O C78307 [1,1,0,0,0,0|2,0,0]=4 123 B8R0.7 NC(=O)CCCCCO AC6170 [1,1,0,0,0,0|2,0,0]=4 124 B8R0.7 O=C(O)CCOCCBr C70446 [1,1,0,0,0,0|2,0,0]=4 125 B8R0.7 O=C(O)CCOCCO C70447 [1,1,0,0,0,0|2,0,0]=4 126 B8R0.7 O=CNCCCC(=O)O AB3831 [1,1,0,0,0,0|1,0,1]=4 127 B8R0.21 COCCCS(=O)(=O)O AC6285 [1,1,0,0,0,0|1,1,0]=4 128 B8R0.28 CC(=O)CCCC(C)=O AC9369 [1,1,0,0,0,0|2,0,0]=4 129 B8R0.28 CC(=O)CCCN(C)C AC6136 [1,1,0,0,0,0|2,0,0]=4 130 B8R0.28 CN(C)CCCC(=O)O A11102 [1,1,0,0,0,0|1,0,0]=3 131 B8R0.2 C=C[C@@H](C)[C@H](N)C(=O)O C90327 [1,1,0,0,0,0|0,0,2]=4 132 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O 60005 [1,1,0,0,0,0|1,0,0]=3 133 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O T70778 [1,1,0,0,0,0|1,0,0]=3 134 B8R0.12 C=CC[C@](C)(N)C(=O)O F12085 [1,1,0,0,0,0|0,0,2]=4 135 B8R0.12 CC(C)(CCF)C(=O)O AT15946 [1,1,0,0,0,0|2,0,0]=4 136 B8R0.12 CC(C)(CCN)C(=O)O 30051 [1,1,0,0,0,0|2,0,0]=4 137 B8R0.12 CC(C)(CCN)C(=O)O 74008 [1,1,0,0,0,0|2,0,0]=4 138 B8R0.12 CCCC(F)(F)C(=O)O AT13009 [1,1,0,0,0,0|1,0,0]=3 139 B8R0.12 CCC[C@](C)(N)C(=O)O AT19771 [1,1,0,0,0,0|0,0,0]=2 140 B8R0.12 CCC[C@](C)(N)C(=O)O D78558 [1,1,0,0,0,0|0,0,0]=2 141 B8R0.12 CCNC(C)(C)C(=O)O AT23404 [1,1,0,0,0,0|2,0,0]=4 142 B8R0.12 CNCC(F)(F)C(=O)O F53123 [1,1,0,0,0,0|2,0,0]=4 143 B8R0.12 CNCC(F)(F)C(=O)O F53124 [1,1,0,0,0,0|2,0,0]=4 144 B8R0.12 COCC(F)(F)C(=O)O AT25474 [1,1,0,0,0,0|1,1,0]=4 145 B8R0.12 COC[C@](C)(N)C(=O)O AT12803 [1,1,0,0,0,0|0,1,0]=3 146 B8R0.12 CSCC(C)(C)C(=O)O W18315 [1,1,0,0,0,0|1,0,0]=3 147 B8R0.12 [2H]C([2H])(CCC)C(=O)O D98364 [1,1,0,0,0,0|1,0,0]=3 148 B8R0.12 [2H]C([2H])(CCN)C(=O)O D98120 [1,1,0,0,0,0|2,0,0]=4 149 B8R0.15 CCC[C@H](NC)C(=O)O AT16735 [1,1,0,0,0,0|0,0,0]=2 150 B8R0.15 CCC[C@H](NC)C(=O)O C15224 [1,1,0,0,0,0|0,0,0]=2 151 B8R0.15 CCC[C@H](OC)C(=O)O AC8429 [1,1,0,0,0,0|1,0,0]=3 152 B8R0.15 CCO[C@@H](CC)C(=O)O AC6373 [1,1,0,0,0,0|2,0,0]=4 153 B8R0.15 CN[C@@H](COC)C(=O)O AT12797 [1,1,0,0,0,0|0,1,0]=3 154 B8R0.23 CC(C)O[C@@H](C)C(=O)O AT22894 [1,1,0,0,0,0|2,0,0]=4 155 B8R0.23 CN(C)C[C@H](N)C(=O)O 51291 [1,1,0,0,0,0|1,0,0]=3 156 B8R0.23 CN(C)C[C@H](N)C(=O)O D75181 [1,1,0,0,0,0|1,0,0]=3 157 B8R0.23 N[C@@H](CC(F)F)C(=O)O F53560 [1,1,0,0,0,0|1,0,0]=3 158 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(=O)O 41391 [1,1,0,0,0,0|0,1,1]=4 159 B8R0.23 [15NH2][C@@H](CC(=O)O)C(=O)O 41415 [1,1,0,0,0,0|0,1,1]=4 160 B10R0.6 CCCCC[C@H](N)CC(=O)O D88166 [0,1,0,0,0,1|1,0,0]=3 161 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10271 [0,1,0,0,0,1|1,0,0]=3 162 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10272 [0,1,0,0,0,1|1,0,0]=3 163 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10302 [0,1,0,0,0,1|1,0,0]=3 164 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O FD10136 [0,1,0,0,0,1|2,0,0]=4 165 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O FD10137 [0,1,0,0,0,1|2,0,0]=4 166 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O FD10301 [0,1,0,0,0,1|2,0,0]=4 167 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O F12352 [0,1,0,0,0,1|2,0,0]=4 168 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O FD10280 [0,1,0,0,0,1|2,0,0]=4 169 B10R0.82 CNC(=O)CC[C@H](N)C(=O)O AC6186 [0,2,0,0,0,0|1,0,0]=3 170 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 43932 [0,2,0,0,0,0|0,1,0]=3 171 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)O C77965 [0,2,0,0,0,0|2,0,0]=4 172 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O 74100 [0,2,0,0,0,0|0,0,1]=3 173 B10R0.92 CS(=O)(=O)CC[C@H](O)C(=O)O 43973 [0,2,0,0,0,0|1,0,1]=4 174 B10R0.92 N[C@@H](CCC(F)(F)F)C(=O)O 96817 [0,2,0,0,0,0|2,0,0]=4 175 B10R0.93 NC(CC(F)C(=O)O)C(=O)O D87862 [0,2,0,0,0,0|2,0,0]=4 176 B10R0.19 C=CCC[C@H](N)C(=O)OCC AT23898 [0,2,0,0,0,0|1,0,1]=4 177 B10R0.83 COC(=O)[C@@H](N)CCCCN S11847 [0,2,0,0,0,0|1,0,0]=3 178 B10R0.86 CN[C@@H](CCCCN)C(=O)O AT16724 [0,2,0,0,0,0|1,0,0]=3 179 B10R0.88 CCCC[C@H](CCC)C(=O)O D86923 [0,2,0,0,0,0|2,0,0]=4 180 B10R0.88 CCCC[C@H](OCC)C(=O)O AC2659 [0,2,0,0,0,0|2,0,0]=4 181 B10R0.133 CCCC[C@@](N)(CC)C(=O)O D78555 [0,2,0,0,0,0|1,0,0]=3 182 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O F17717 [0,2,0,0,0,0|1,0,1]=4 183 B10R0.26 C=CC[S@@](=O)C[C@@H](N)C(=O)O AT24294 [0,2,0,0,0,0|1,0,1]=4 184 B10R0.26 CCCS(=O)C[C@H](N)C(=O)O D86843 [0,2,0,0,0,0|1,0,0]=3 185 B10R0.42 C=CCCC[C@](C)(N)C(=O)O F12086 [0,2,0,0,0,0|1,0,1]=4 186 B10R0.42 C=CCCC[C@](C)(N)C(=O)O F12114 [0,2,0,0,0,0|1,0,1]=4 187 B10R0.42 [2H]C([2H])(CCCCC)C(=O)O D99595 [0,2,0,0,0,0|2,0,0]=4 188 B10R0.98 CN(C)CCC[C@H](N)C(=O)O F14408 [0,2,0,0,0,0|1,0,0]=3 189 B8R1.2 O=CC1CCNCC1 62056 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.5 CN1CCSCC1=O AT12016 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.5 C[C@H]1CCNCC1=O P13522 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.5 C[C@H]1CCOCC1=O F53480 [1,0,0,1,0,0|1,1,0]=4 193 B8R1.5 NC1CCCCC1O F13372 [1,0,0,1,0,0|1,0,1]=4 194 B8R1.5 NC1CCOCC1O AT20154 [1,0,0,1,0,0|0,1,1]=4 195 B8R1.5 N[C@@H]1CCCC[C@@H]1O F53834 [1,0,0,1,0,0|1,0,1]=4 196 B8R1.5 N[C@H]1CCCNC1=O 51548 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.5 N[C@H]1CCNC[C@@H]1O D76889 [1,0,0,1,0,0|1,0,1]=4 198 B8R1.5 N[C@H]1CCOC[C@@H]1O AT20174 [1,0,0,1,0,0|0,1,1]=4 199 B8R1.5 N[C@H]1CCOC[C@@H]1O P19349 [1,0,0,1,0,0|0,1,1]=4 200 B8R1.38 N[C@@H](CO)C1CCC1 N11362 [1,0,0,1,0,0|1,0,1]=4 201 B8R1.40 N[C@H](CO)CC1CC1 D75110 [1,0,0,1,0,0|1,0,1]=4 202 B8R1.40 N[C@H](CO)CC1CC1 D75111 [1,0,0,1,0,0|1,0,1]=4 203 B8R1.40 N[C@H](CO)CC1CC1 N13000 [1,0,0,1,0,0|1,0,1]=4 204 B8R1.50 CC1CCC(C)C1=O F12414 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.50 CN1CC[C@H](N)C1=O D97088 [1,0,0,1,0,0|1,0,0]=3 206 B8R1.50 CN1CC[C@H](O)C1=O AT18763 [1,0,0,1,0,0|2,0,0]=4 207 B8R1.50 N[C@H]1CCN(O)C1=O 51422 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.52 N[C@@]1(CO)CCNC1 AC5273 [1,0,0,1,0,0|1,0,1]=4 209 B8R1.52 N[C@@]1(CO)CCOC1 91976 [1,0,0,1,0,0|0,1,1]=4 210 B8R1.52 N[C@@]1(CO)CCSC1 AT23900 [1,0,0,1,0,0|0,0,1]=3 211 B8R1.4 CN1CCCC(=O)C1 C14007 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.7 CC(=O)[C@H]1CCNC1 78818 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.7 NC(=O)[C@H]1CCNC1 P11232 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.7 O=C(Cl)[C@H]1CCOC1 A12769 [1,0,0,1,0,0|1,1,0]=4 217 B8R1.7 O=C(O)[C@@H]1CCCS1 98590 [1,0,0,1,0,0|2,0,0]=4 218 B8R1.7 O=C(O)[C@@H]1CCCS1 98591 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.7 O=C(O)[C@@H]1CCNO1 AT14856 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O P18148 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.34 O=C(Cl)CC1CCC1 AT23645 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.34 O=C(O)CC1CNC1 A50755 [1,0,0,1,0,0|1,0,0]=3 223 B8R1.34 O=C(O)CC1CNC1 P10897 [1,0,0,1,0,0|1,0,0]=3 224 B8R1.43 CCC1CC1C(=O)O AT12378 [1,0,0,1,0,0|1,0,0]=3 225 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 37681 [1,0,0,1,0,0|1,0,0]=3 226 B8R1.23 NC1CC(C(=O)O)C1 87717 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.30 C=C1C[C@]1(N)C(=O)O C12297 [1,0,0,1,0,0|0,0,2]=4 228 B8R1.54 N[C@H](C(=O)O)C1CC1 59338 [1,0,0,1,0,0|0,0,0]=2 229 B8R1.78 CC1(C(=O)Cl)CCC1 C77609 [1,0,0,1,0,0|2,0,0]=4 230 B8R1.78 CC1(C(=O)O)CNC1 A50764 [1,0,0,1,0,0|2,0,0]=4 231 B8R1.78 NC(=O)C1(N)CNC1 P13008 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.78 NC1(C(=O)O)COC1 AT13394 [1,0,0,1,0,0|0,1,0]=3 233 B10R1.18 O=C(O)CN1CCSCC1 AT25287 [0,0,0,1,0,1|2,0,0]=4 234 B10R1.18 O=C(O)CN1CCSCC1 W18219 [0,0,0,1,0,1|2,0,0]=4 235 B10R1.18 O=C(O)C[C@H]1CCCCN1 AC1465 [0,0,0,1,0,1|1,0,0]=3 236 B10R1.18 O=C(O)C[C@H]1CNCCN1 S11349 [0,0,0,1,0,1|2,0,0]=4 237 B10R1.18 O=C(O)C[C@H]1COCCN1 77662 [0,0,0,1,0,1|2,0,0]=4 238 B10R1.18 O=C(O)C[C@H]1COCCN1 77663 [0,0,0,1,0,1|2,0,0]=4 239 B10R1.18 O=C(O)C[C@H]1COCCN1 77664 [0,0,0,1,0,1|2,0,0]=4 240 B10R1.54 CN1CC[C@H](CC(=O)O)C1 C77745 [0,0,0,1,0,1|2,0,0]=4 241 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 AT18840 [0,0,0,1,0,1|2,0,0]=4 242 B10R1.61 NC(=O)C1CCCCC1N AT21040 [0,0,0,1,0,1|2,0,0]=4 243 B10R1.61 NC1CCCCC1C(=O)O 71292 [0,0,0,1,0,1|1,0,0]=3 244 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O AT19404 [0,0,0,1,0,1|2,0,0]=4 245 B10R1.291 CN1CCC[C@@]1(C)C(=O)O AT11331 [0,1,0,1,0,0|2,0,0]=4 246 B10R1.13 C[C@@H]1CC[C@H](C(=O)O)CN1 C90710 [0,1,0,1,0,0|1,0,0]=3 247 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CN1 F18655 [0,1,0,1,0,0|1,0,0]=3 248 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 P10634 [0,1,0,1,0,0|1,0,0]=3 249 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 74997 [0,1,0,1,0,0|2,0,0]=4 250 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 C73109 [0,1,0,1,0,0|2,0,0]=4 251 B10R1.349 CN(C)[C@H]1C[C@@H](C(=O)O)C1 W19428 [0,1,0,1,0,0|2,0,0]=4 252 B10R1.359 CC1(C)CC[C@@H](C(=O)O)N1 AT23798 [0,1,0,1,0,0|1,0,0]=3 253 B10R1.15 CNC(=O)[C@@H]1CCCCN1 C77819 [0,1,0,1,0,0|2,0,0]=4 254 B10R1.15 CNC(=O)[C@@H]1CCCCN1 C78037 [0,1,0,1,0,0|2,0,0]=4 255 B10R1.15 CNC(=O)[C@@H]1CCCCN1 C78113 [0,1,0,1,0,0|2,0,0]=4 256 B10R1.15 COC(=O)[C@@H]1CNCCN1 64289 [0,1,0,1,0,0|2,0,0]=4 257 B10R1.15 COC(=O)[C@@H]1CNCCN1 F16118 [0,1,0,1,0,0|2,0,0]=4 258 B10R1.15 COC(=O)[C@@H]1COCCN1 D76308 [0,1,0,1,0,0|2,0,0]=4 259 B10R1.182 COC(=O)C(N)C1COC1 38613 [0,1,0,1,0,0|0,1,0]=3 260 B10R1.182 COC(=O)[C@@H](N)C1COC1 F53708 [0,1,0,1,0,0|0,1,0]=3 261 B10R1.411 COC(=O)C1(C)CCCC1 57441 [0,1,0,1,0,0|2,0,0]=4 262 B10R1.411 COC(=O)[C@@]1(C)CCNC1 F13593 [0,1,0,1,0,0|2,0,0]=4 263 B10R1.411 COC(=O)[C@@]1(C)CCOC1 P13849 [0,1,0,1,0,0|1,1,0]=4 264 B10R1.411 COC(=O)[C@]1(O)CCNC1 P14870 [0,1,0,1,0,0|2,0,0]=4 265 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98384 [0,1,0,1,0,0|1,0,0]=3 266 B10R1.348 O=C(O)[C@H]1CCCNCC1 98343 [0,1,0,1,0,0|2,0,0]=4 267 B10R1.437 COCCC1(C(=O)O)CC1 AC4197 [0,1,0,1,0,0|1,1,0]=4 268 B10R1.477 CN[C@@]1(C(=O)O)CCOC1 33411 [0,1,0,1,0,0|0,1,0]=3 269 B10R1.477 N#CC1(C(=O)O)CCCC1 71630 [0,1,0,1,0,0|1,0,1]=4 270 B10R1.113 CC1CC(C(=O)O)CCN1 88368 [0,1,0,1,0,0|2,0,0]=4 271 B10R1.113 CN1CCN[C@H](C(=O)O)C1 AB2925 [0,1,0,1,0,0|2,0,0]=4 272 B10R1.113 CN1CCO[C@H](C(=O)O)C1 F17615 [0,1,0,1,0,0|2,0,0]=4 273 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)O1 F18898 [0,1,0,1,0,0|2,0,0]=4 274 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)O1 F18902 [0,1,0,1,0,0|2,0,0]=4 275 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P11798 [0,1,0,1,0,0|2,0,0]=4 276 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 70893 [0,1,0,1,0,0|1,0,1]=4 277 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 C14251 [0,1,0,1,0,0|1,0,1]=4 278 B10R1.113 O=C1CNC[C@@H](C(=O)O)N1 76385 [0,1,0,1,0,0|2,0,0]=4 279 B10R1.113 O=C1CSC[C@@H](C(=O)O)N1 AT25443 [0,1,0,1,0,0|2,0,0]=4 280 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 29585 [0,1,0,1,0,0|1,0,0]=3 281 B10R1.363 NC1(C(=O)O)CCCCC1 I11975 [0,1,0,1,0,0|1,0,0]=3 282 B10R1.363 NC1(C(=O)O)CCSCC1 F30382 [0,1,0,1,0,0|0,0,0]=2 283 B10R1.363 O=C(O)C1(F)CCNCC1 D75180 [0,1,0,1,0,0|2,0,0]=4 284 B10R1.363 O=C(O)C1(O)CCNCC1 C80061 [0,1,0,1,0,0|2,0,0]=4 285 B10R1.363 O=C(O)[C@]1(F)CCCNC1 AT26792 [0,1,0,1,0,0|2,0,0]=4 286 B10R1.363 O=C(O)[C@]1(O)CCCNC1 F53431 [0,1,0,1,0,0|2,0,0]=4 287 B10R1.363 O=C(O)[C@]1(O)CCCNC1 F53597 [0,1,0,1,0,0|2,0,0]=4 288 B10R1.363 [2H]C1(C(=O)O)CCCCC1 D99315 [0,1,0,1,0,0|2,0,0]=4 289 B10R2.351 O=C(O)[C@@H]1[C@H]2CNC[C@H]21 P11053 [0,0,0,2,0,0|2,0,0]=4 290 B10R2.351 O=C(O)[C@H]1[C@H]2CNC[C@H]21 P14891 [0,0,0,2,0,0|2,0,0]=4 291 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 P10629 [0,0,0,2,0,0|1,0,0]=3 292 B10R2.638 O=C(O)[C@H]1CC12CNC2 AT12846 [0,0,0,2,0,0|2,0,0]=4