0 B9R0.47 CCCCCC(=O)C(=O)O A11260 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.47 NCCCC[C@H]([15NH2])C(=O)O D98677 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O C70032 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.6 C#C[C@@H](O)CCCCC 51060 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.6 C#C[C@@H](O)CCCCC T72294 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.6 CC[C@H](C)CCCCO T72651 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.7 CC(=O)NCCCCN S12336 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.7 CCCCC#CC(=O)O T71801 [1,0,0,0,0,0|0,0,2]=3 8 B8R0.7 CCCCNCC(=O)O D87235 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.7 CNCCCNC(C)=O C78307 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.7 NC(=O)CCCCCO AC6170 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.7 O=C(O)CCOCCBr C70446 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.7 O=C(O)CCOCCO C70447 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.7 O=CNCCCC(=O)O AB3831 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.7 [2H][C@H](Br)CCCCCC D99523 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.7 [2H][C@H](O)CCCCCC D99646 [1,0,0,0,0,0|1,0,1]=3 16 B8R0.8 C=CCC[C@H](N)C(=O)O AT23573 [1,0,0,0,0,0|1,0,2]=4 17 B8R0.8 C=CCC[C@H](N)C(=O)O AT23574 [1,0,0,0,0,0|1,0,2]=4 18 B8R0.8 CC#CC[C@H](N)C(=O)O C15512 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.8 CC(=O)N(C)CCCN C78500 [1,0,0,0,0,0|3,0,0]=4 20 B8R0.8 CCCC[C@H](C)C(C)C T70746 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.8 CCCC[C@H](N)C(N)=O S11604 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.8 CCOC[C@H](N)C(=O)O AT12801 [1,0,0,0,0,0|2,0,0]=3 23 B10R0.26 CCCS(=O)C[C@H](N)C(=O)O D86843 [0,1,0,0,0,0|2,0,0]=3 24 B10R0.26 CCOC(=O)N[C@@H](C)C(=O)O 93835 [0,1,0,0,0,0|2,0,1]=4 25 B10R0.26 CCOC(=O)N[C@@H](C)C(=O)O 93836 [0,1,0,0,0,0|2,0,1]=4 26 B10R0.26 [NH3+][C@@H](CC(=O)CCCl)C(=O)O C93229 [0,1,0,0,0,0|2,0,1]=4 27 B10R0.42 C=CCCC[C@](C)(N)C(=O)O F12086 [0,1,0,0,0,0|0,0,2]=3 28 B10R0.42 C=CCCC[C@](C)(N)C(=O)O F12114 [0,1,0,0,0,0|0,0,2]=3 29 B10R0.42 [2H]C([2H])(CCCCC)C(=O)O D99595 [0,1,0,0,0,0|1,0,0]=2 30 B10R0.82 CNC(=O)CC[C@H](N)C(=O)O AC6186 [0,1,0,0,0,0|2,0,1]=4 31 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 43932 [0,1,0,0,0,0|2,0,1]=4 32 B10R0.83 COC(=O)[C@@H](N)CCCCN S11847 [0,1,0,0,0,0|2,0,0]=3 33 B10R0.86 CN[C@@H](CCCCN)C(=O)O AT16724 [0,1,0,0,0,0|1,0,0]=2 34 B10R0.98 CN(C)CCC[C@H](N)C(=O)O F14408 [0,1,0,0,0,0|2,0,0]=3 35 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O AC1615 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 P11290 [0,0,0,1,0,0|3,0,0]=4 37 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 P12900 [0,0,0,1,0,0|3,0,0]=4 38 B10R1.31 CC(=O)N1CC[C@H](CO)C1 P19907 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.113 CC(=O)N1CCC[C@H](N)C1 C14349 [0,0,0,1,0,0|3,0,0]=4 40 B10R1.113 CC(=O)N1CCC[C@H](O)C1 AB7340 [0,0,0,1,0,0|3,0,0]=4 41 B10R1.113 CC(=O)N1CCC[C@H](O)C1 C16296 [0,0,0,1,0,0|3,0,0]=4 42 B10R1.113 CC(=O)N1CCC[C@H](O)C1 F17732 [0,0,0,1,0,0|3,0,0]=4 43 B10R1.113 CC1CC(C(=O)O)CCN1 88368 [0,0,0,1,0,0|1,0,0]=2 44 B10R1.113 CN1CCN[C@H](C(=O)O)C1 AB2925 [0,0,0,1,0,0|2,0,0]=3 45 B10R1.113 CN1CCO[C@H](C(=O)O)C1 F17615 [0,0,0,1,0,0|2,0,0]=3 46 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)O1 F18898 [0,0,0,1,0,0|2,0,0]=3 47 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)O1 F18902 [0,0,0,1,0,0|2,0,0]=3 48 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P11798 [0,0,0,1,0,0|1,0,0]=2 49 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 70893 [0,0,0,1,0,0|2,0,1]=4 50 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 C14251 [0,0,0,1,0,0|2,0,1]=4 51 B10R1.131 CN1C[C@@H](CCN)CC1=O AT19063 [0,0,0,1,0,0|3,0,0]=4 52 B10R1.176 CN1CC[C@H](CN)CC1=O P12007 [0,0,0,1,0,0|3,0,0]=4 53 B10R1.291 CN1CCC[C@@]1(C)C(=O)O AT11331 [0,0,0,1,0,0|1,0,0]=2 54 B10R1.291 C[C@@]1(C(=O)O)CCNC1=O AT19086 [0,0,0,1,0,0|2,0,1]=4 55 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98384 [0,0,0,1,0,0|1,0,0]=2 56 B10R1.348 O=C(O)[C@H]1CCCNCC1 98343 [0,0,0,1,0,0|1,0,0]=2 57 B10R1.363 CC(=O)C1(C)CCNCC1 E71837 [0,0,0,1,0,0|2,0,0]=3 58 B10R1.363 CC1(C(N)=O)CCNCC1 F13744 [0,0,0,1,0,0|2,0,0]=3 59 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 29585 [0,0,0,1,0,0|1,0,0]=2 60 B10R1.363 NC1(C(=O)O)CCCCC1 I11975 [0,0,0,1,0,0|1,0,0]=2 61 B10R1.363 NC1(C(=O)O)CCSCC1 F30382 [0,0,0,1,0,0|2,0,0]=3 62 B10R1.363 O=C(O)C1(F)CCNCC1 D75180 [0,0,0,1,0,0|2,0,0]=3 63 B10R1.363 O=C(O)C1(O)CCNCC1 C80061 [0,0,0,1,0,0|2,0,0]=3 64 B10R1.363 O=C(O)[C@]1(F)CCCNC1 AT26792 [0,0,0,1,0,0|2,0,0]=3 65 B10R1.363 O=C(O)[C@]1(O)CCCNC1 F53431 [0,0,0,1,0,0|2,0,0]=3 66 B10R1.363 O=C(O)[C@]1(O)CCCNC1 F53597 [0,0,0,1,0,0|2,0,0]=3 67 B10R1.363 [2H]C1(C(=O)O)CCCCC1 D99315 [0,0,0,1,0,0|1,0,0]=2 68 B10R0.6 CCCCC[C@H](N)CC(=O)O D88166 [0,0,0,0,0,1|1,0,0]=2 69 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10271 [0,0,0,0,0,1|2,0,0]=3 70 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10272 [0,0,0,0,0,1|2,0,0]=3 71 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10302 [0,0,0,0,0,1|2,0,0]=3 72 B7R0.1 C=CCCCCCCl I11994 [2,0,0,0,0,0|2,0,0]=4 73 B7R0.1 C=CCCCCCO F14745 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.1 CNCCCCCO AT11157 [2,0,0,0,0,0|1,0,1]=4 75 B7R0.1 CNCCCCCO AT11158 [2,0,0,0,0,0|1,0,1]=4 76 B7R0.1 C\C=C/CCCCC T72919 [2,0,0,0,0,0|1,0,1]=4 77 B7R0.1 O=CCCCCCCl 24359 [2,0,0,0,0,0|1,0,0]=3 78 B7R0.1 OCCCCCCI AT14272 [2,0,0,0,0,0|1,0,1]=4 79 B7R0.3 CCCC[C@H](N)CO D75114 [2,0,0,0,0,0|1,0,1]=4 80 B7R0.3 CCCC[C@H](N)CO H10583 [2,0,0,0,0,0|1,0,1]=4 81 B7R0.4 CCCCCC(N)=S W19000 [2,0,0,0,0,0|1,1,0]=4 82 B7R0.4 CCNCCC(N)=O A11725 [2,0,0,0,0,0|2,0,0]=4 83 B7R0.4 CC\C=C/CC(=O)O F18341 [2,0,0,0,0,0|0,0,2]=4 84 B7R0.4 CNCCCC(N)=O AB11605 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.4 C[S@](=O)CCCCN 13216 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.4 NC(=O)CCCCBr AC9465 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.4 NC(=O)CCCCCl AC5718 [2,0,0,0,0,0|2,0,0]=4 88 B7R0.4 NCCCCC(N)=O AC3685 [2,0,0,0,0,0|2,0,0]=4 89 B7R0.4 NCCSCC(=O)O AT25571 [2,0,0,0,0,0|2,0,0]=4 90 B7R0.5 CC(=O)[C@@H](C)CCBr AC2947 [2,0,0,0,0,0|2,0,0]=4 91 B7R0.5 CCC[C@H](O)C(N)=O AC9726 [2,0,0,0,0,0|2,0,0]=4 92 B7R0.5 CNC[C@H](N)C(=O)O 88602 [2,0,0,0,0,0|2,0,0]=4 93 B7R0.5 C[Se]C[C@H](N)C(=O)O C16524 [2,0,0,0,0,0|2,0,0]=4 94 B7R0.5 NCC[C@H](F)C(=O)O F19724 [2,0,0,0,0,0|2,0,0]=4 95 B7R0.5 NCC[C@H](N)C(=O)O F10323 [2,0,0,0,0,0|2,0,0]=4 96 B9R0.1 CC[C@H](C)CCCC(C)C T70540 [1,1,0,0,0,0|1,0,1]=4 97 B9R0.34 CCCC(C)CC(C)CC T70352 [1,1,0,0,0,0|1,0,1]=4 98 B9R0.46 CCCCCC[C@@H](C)CC T72672 [1,1,0,0,0,0|1,0,1]=4 99 B9R0.46 CCCCCC[C@H](O)CO C16570 [1,1,0,0,0,0|1,0,1]=4 100 B9R0.46 CC[C@H](C)CCCCCO T71591 [1,1,0,0,0,0|1,0,1]=4 101 B9R0.46 OCCCCC[C@H](O)CO T72391 [1,1,0,0,0,0|1,0,1]=4 102 B9R0.2 CNCCCCCC(=O)O AT21580 [1,1,0,0,0,0|0,0,0]=2 103 B9R0.2 NCCCCCCC(N)=O AC7480 [1,1,0,0,0,0|1,0,0]=3 104 B9R0.2 [N-]=[N+]=NCCCCC(=O)O D88530 [1,1,0,0,0,0|2,0,0]=4 105 B9R0.4 CCCC[C@H](N)CC(=O)O N14199 [1,1,0,0,0,0|0,0,0]=2 106 B9R0.4 CCCC[C@H](N)CC(=O)O N14200 [1,1,0,0,0,0|0,0,0]=2 107 B9R0.55 O=C(O)CCCC[13C](=O)O D98793 [1,1,0,0,0,0|1,0,1]=4 108 B9R0.6 CCC[C@H](N)C(O)C(=O)O 81432 [1,1,0,0,0,0|1,0,0]=3 109 B9R0.13 CCCC[C@@H](CO)C(=O)O 62404 [1,1,0,0,0,0|0,0,0]=2 110 B9R0.13 CCCC[C@H](NC)C(=O)O AT16731 [1,1,0,0,0,0|0,0,0]=2 111 B9R0.13 CCCC[C@H](NC)C(=O)O C15089 [1,1,0,0,0,0|0,0,0]=2 112 B9R0.13 CCCC[C@H](OC)C(=O)O AC6557 [1,1,0,0,0,0|0,0,0]=2 113 B9R0.42 COC(=O)C[C@H](C)C(=O)O FD10315 [1,1,0,0,0,0|1,0,1]=4 114 B9R0.51 CCCC[C@](C)(O)C(=O)O D86692 [1,1,0,0,0,0|0,0,0]=2 115 B9R0.51 [2H]C([2H])(CCCC)C(=O)O D97875 [1,1,0,0,0,0|1,0,0]=3 116 B9R0.51 [2H][C@](N)(CCSC)C(=O)O D97873 [1,1,0,0,0,0|2,0,0]=4 117 B11R0.154 CCCCCC(=O)CC(=O)OC A11017 [0,1,0,0,0,1|1,0,1]=4 118 B11R0.125 [2H]C([2H])(CCCCCC)C(=O)O D98979 [0,2,0,0,0,0|1,0,0]=3 119 B11R0.326 COC(=O)C(C)(C)CCCCBr AT10080 [0,2,0,0,0,0|1,0,0]=3 120 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O F10776 [0,2,0,0,0,0|1,0,0]=3 121 B11R0.120 COC(=O)CC[C@H](C)C(=O)OC T71529 [0,2,0,0,0,0|1,0,1]=4 122 B11R0.78 CCC[C@@H](CCCCN)C(=O)O C77509 [0,2,0,0,0,0|1,0,0]=3 123 B11R0.318 N[C@@H](CCCC(F)(F)F)C(=O)O 69289 [0,2,0,0,0,0|2,0,0]=4 124 B9R1.2 CC1CCCC(CO)N1 P11618 [1,0,0,1,0,0|1,0,1]=4 125 B9R1.2 CC1CNCC(CO)C1 P19048 [1,0,0,1,0,0|1,0,1]=4 126 B9R1.2 CN1CCC[C@H](C=O)C1 I11140 [1,0,0,1,0,0|1,0,0]=3 127 B9R1.3 CC1CCCC(C)C1C T71900 [1,0,0,1,0,0|1,0,1]=4 128 B9R1.3 CN1CCC[C@H](N)C1=O P11331 [1,0,0,1,0,0|2,0,0]=4 129 B9R1.3 C[C@@H]1NCCN(C)C1=O C14663 [1,0,0,1,0,0|2,0,0]=4 130 B9R1.3 C[C@@H]1NCCN(C)C1=O F53792 [1,0,0,1,0,0|2,0,0]=4 131 B9R1.3 C[C@@H]1NCCN(C)C1=O F53796 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.5 CN1CCNCCC1=O AT20060 [1,0,0,1,0,0|2,0,0]=4 133 B9R1.5 C[C@@H]1OCCCNC1=O 73063 [1,0,0,1,0,0|2,0,0]=4 134 B9R1.5 N[C@H]1CCCCC[C@@H]1O AT10930 [1,0,0,1,0,0|1,0,1]=4 135 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [1,0,0,1,0,0|1,0,0]=3 136 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [1,0,0,1,0,0|1,0,0]=3 137 B9R1.5 O=C1CCNCC[C@@H]1Br C90706 [1,0,0,1,0,0|2,0,0]=4 138 B9R1.5 O=C1NCCCC[C@@H]1Br F50955 [1,0,0,1,0,0|2,0,0]=4 139 B9R1.11 C=C[C@@H](O)C1CCCC1 F52271 [1,0,0,1,0,0|2,0,0]=4 140 B9R1.11 N[C@@H](CO)C1CCCC1 N11290 [1,0,0,1,0,0|1,0,1]=4 141 B9R1.11 N[C@@H](CO)C1CCCC1 N11334 [1,0,0,1,0,0|1,0,1]=4 142 B9R1.89 O=CC1CCCCCC1 AT13628 [1,0,0,1,0,0|0,0,0]=2 143 B9R1.89 OC[C@H]1CCCNCC1 73020 [1,0,0,1,0,0|1,0,1]=4 144 B9R1.118 CC1(C=O)CCSCC1 AT10702 [1,0,0,1,0,0|1,0,0]=3 145 B9R1.118 CC1(CN)CCCCC1 71856 [1,0,0,1,0,0|1,0,1]=4 146 B9R1.118 CC1(CO)CCNCC1 53326 [1,0,0,1,0,0|1,0,1]=4 147 B9R1.118 C[C@]1(CO)CCCNC1 55565 [1,0,0,1,0,0|1,0,1]=4 148 B9R1.118 C[C@]1(CO)CCCNC1 55575 [1,0,0,1,0,0|1,0,1]=4 149 B9R1.118 NC1(CO)CCCCC1 AT12680 [1,0,0,1,0,0|1,0,1]=4 150 B9R1.118 NC1(CO)CCCCC1 AT12681 [1,0,0,1,0,0|1,0,1]=4 151 B9R1.118 NC1(CO)CCCCC1 D74962 [1,0,0,1,0,0|1,0,1]=4 152 B9R1.118 OCC1(F)CCCCC1 26699 [1,0,0,1,0,0|1,0,1]=4 153 B9R1.132 CN[C@H]1CCN(C)C1=O AT19093 [1,0,0,1,0,0|2,0,0]=4 154 B9R1.6 CC(=O)[C@@H]1CCCCN1 F16683 [1,0,0,1,0,0|2,0,0]=4 155 B9R1.6 CC(=O)[C@H]1CCCNC1 P11325 [1,0,0,1,0,0|2,0,0]=4 156 B9R1.6 CC(=O)[C@H]1CCCOC1 AT13308 [1,0,0,1,0,0|2,0,0]=4 157 B9R1.6 C[C@H](O)C1CCCCC1 D77196 [1,0,0,1,0,0|1,0,1]=4 158 B9R1.6 NC(=O)[C@@H]1CCCCN1 CS3415 [1,0,0,1,0,0|2,0,0]=4 159 B9R1.6 O=C(O)[C@@H]1CCCCS1 90959 [1,0,0,1,0,0|1,0,0]=3 160 B9R1.6 O=C(O)[C@@H]1CCCNN1 50467 [1,0,0,1,0,0|2,0,0]=4 161 B9R1.6 O=C(O)[C@@H]1CSCCN1 77694 [1,0,0,1,0,0|2,0,0]=4 162 B9R1.13 CC(=O)CC1CCCC1 N12760 [1,0,0,1,0,0|1,0,0]=3 163 B9R1.13 CC(=O)CN1CCCC1 F50500 [1,0,0,1,0,0|2,0,0]=4 164 B9R1.13 O=C(O)CC1SCCS1 AT15646 [1,0,0,1,0,0|2,0,0]=4 165 B9R1.13 O=C(O)C[C@H]1CCNC1 P11648 [1,0,0,1,0,0|1,0,0]=3 166 B9R1.13 OB(O)CC1CCCC1 A51283 [1,0,0,1,0,0|1,0,1]=4 167 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O W10213 [1,0,0,1,0,0|1,0,0]=3 168 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O AT17205 [1,0,0,1,0,0|1,0,0]=3 169 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O AT13997 [1,0,0,1,0,0|1,0,0]=3 170 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13975 [1,0,0,1,0,0|1,0,0]=3 171 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F D97117 [1,0,0,1,0,0|2,0,0]=4 172 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P14778 [1,0,0,1,0,0|2,0,0]=4 173 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P16430 [1,0,0,1,0,0|2,0,0]=4 174 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P14685 [1,0,0,1,0,0|2,0,0]=4 175 B9R1.84 O=[N+]([O-])CCC1CCC1 FD10612 [1,0,0,1,0,0|1,0,1]=4 176 B9R1.85 O=C(O)CCNC1CC1 AC5323 [1,0,0,1,0,0|1,0,0]=3 177 B9R1.85 O=C(O)COCC1CC1 12497 [1,0,0,1,0,0|1,0,0]=3 178 B9R1.96 CCC1CN[C@@H]1C(=O)O P15219 [1,0,0,1,0,0|1,0,0]=3 179 B9R1.23 CN1C[C@H](CBr)OC1=O W13271 [1,0,0,1,0,0|2,0,0]=4 180 B9R1.23 CN1C[C@H](CBr)OC1=O W13272 [1,0,0,1,0,0|2,0,0]=4 181 B9R1.35 CN1CC[C@H](C(=O)O)C1 P14492 [1,0,0,1,0,0|1,0,0]=3 182 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT11433 [1,0,0,1,0,0|1,0,0]=3 183 B9R1.35 NC1CNC(C(=O)O)C1 F19644 [1,0,0,1,0,0|2,0,0]=4 184 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 AC1030 [1,0,0,1,0,0|1,0,0]=3 185 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 S11069 [1,0,0,1,0,0|1,0,0]=3 186 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 C15010 [1,0,0,1,0,0|2,0,0]=4 187 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 C74364 [1,0,0,1,0,0|2,0,0]=4 188 B9R1.35 O=C(O)C1CC(F)CN1 39473 [1,0,0,1,0,0|2,0,0]=4 189 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 P13403 [1,0,0,1,0,0|2,0,0]=4 190 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 P14546 [1,0,0,1,0,0|2,0,0]=4 191 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 P10236 [1,0,0,1,0,0|2,0,0]=4 192 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 P11252 [1,0,0,1,0,0|2,0,0]=4 193 B9R1.110 C[C@@H](C(=O)O)N1CCC1 AT24076 [1,0,0,1,0,0|1,0,0]=3 194 B9R1.110 N[C@H](C(=O)O)C1CCC1 F51887 [1,0,0,1,0,0|1,0,0]=3 195 B9R1.110 O=C(O)[C@@H](Br)C1CCC1 D79277 [1,0,0,1,0,0|1,0,0]=3 196 B9R1.163 CC1(C(=O)O)CSSC1 C15279 [1,0,0,1,0,0|2,0,0]=4 197 B9R1.163 C[C@]1(C(=O)O)CCNC1 D72045 [1,0,0,1,0,0|1,0,0]=3 198 B9R1.163 N[C@@]1(C(=O)O)CCNC1 F19622 [1,0,0,1,0,0|2,0,0]=4 199 B9R1.163 O=C(O)[C@]1(F)CCNC1 P12597 [1,0,0,1,0,0|2,0,0]=4 200 B9R1.163 O=C(O)[C@]1(O)CCNC1 32143 [1,0,0,1,0,0|2,0,0]=4 201 B9R1.163 O=C(O)[C@]1(O)CCOC1 F53622 [1,0,0,1,0,0|2,0,0]=4 202 B9R1.163 [2H][C@@]1(C(=O)O)CCCN1 D98940 [1,0,0,1,0,0|2,0,0]=4 203 B11R1.77 N[C@@H](CC(=O)O)C1CCCC1 AC6602 [0,0,0,1,0,1|1,0,0]=3 204 B11R1.77 N[C@@H](CC(=O)O)C1CCCC1 N14303 [0,0,0,1,0,1|1,0,0]=3 205 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 97098 [0,0,0,1,0,1|1,0,1]=4 206 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 97101 [0,0,0,1,0,1|1,0,1]=4 207 B11R1.742 O=C(O)C[C@H]1CCCNCC1 AT11731 [0,0,0,1,0,1|1,0,0]=3 208 B11R1.928 NC1(CC(=O)O)CCNCC1 W15976 [0,0,0,1,0,1|2,0,0]=4 209 B11R1.35 NC(CC1CCOC1)C(=O)O AT25957 [0,1,0,1,0,0|1,0,0]=3 210 B11R1.35 N[C@@H](CC1CCOC1)C(=O)O D87121 [0,1,0,1,0,0|1,0,0]=3 211 B11R1.35 O=C(O)[C@@H](O)CC1CCCO1 89287 [0,1,0,1,0,0|1,0,0]=3 212 B11R1.74 CC1CC(C)CC(C(=O)O)C1 P19153 [0,1,0,1,0,0|0,0,0]=2 213 B11R1.74 C[C@H]1CN(C)C[C@@H](C(=O)O)O1 AT13250 [0,1,0,1,0,0|2,0,0]=4 214 B11R1.124 C=CC[C@H]1CN[C@H](C(=O)O)C1 F10150 [0,1,0,1,0,0|0,0,2]=4 215 B11R1.124 C=CC[C@H]1CN[C@H](C(=O)O)C1 F10151 [0,1,0,1,0,0|0,0,2]=4 216 B11R1.124 CCN[C@H]1CCN(C(C)=O)C1 77405 [0,1,0,1,0,0|2,0,0]=4 217 B11R1.737 O=C(O)C1(O)CCCCCC1 D87048 [0,1,0,1,0,0|0,0,0]=2 218 B11R1.36 CC(=O)N(C)[C@H]1CCCNC1 P10898 [0,1,0,1,0,0|2,0,0]=4 219 B11R1.36 CC(=O)N(C)[C@H]1CCCNC1 P12901 [0,1,0,1,0,0|2,0,0]=4 220 B11R1.36 C[C@@H](C(=O)O)N1CCSCC1 AT25282 [0,1,0,1,0,0|1,0,0]=3 221 B11R1.266 CN[C@H]1CCCN(C(C)=O)C1 AC6997 [0,1,0,1,0,0|2,0,0]=4 222 B11R1.50 CO[C@H]1C[C@@H](C(=O)O)N(C)C1 P15468 [0,1,0,1,0,0|2,0,0]=4 223 B11R1.50 CO[C@H]1C[C@@H](C(=O)O)N(C)C1 P19080 [0,1,0,1,0,0|2,0,0]=4 224 B11R1.167 CN1CC[C@H](O)[C@@H](C(=O)O)C1 AT24337 [0,1,0,1,0,0|1,0,0]=3 225 B11R1.167 CN1CC[C@H](O)[C@@H](C(=O)O)C1 AT24773 [0,1,0,1,0,0|1,0,0]=3 226 B11R1.167 CN1CC[C@H](O)[C@H](C(=O)O)C1 AT24336 [0,1,0,1,0,0|1,0,0]=3 227 B11R1.314 CC(C(=O)O)C1CCC(=O)N1 AT19054 [0,1,0,1,0,0|1,0,1]=4 228 B11R1.3 N#CC1CCC(C(=O)O)CC1 D78745 [0,1,0,1,0,0|1,0,1]=4 229 B11R1.3 NC[C@@H]1CC=C(C(=O)O)CC1 D84118 [0,1,0,1,0,0|1,0,1]=4 230 B11R1.3 NC[C@@H]1CC=C(C(=O)O)CC1 F20727 [0,1,0,1,0,0|1,0,1]=4 231 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 A11785 [0,1,0,1,0,0|1,0,0]=3 232 B11R1.21 CC1CC(C(=O)O)CCC1=O 33373 [0,1,0,1,0,0|0,0,1]=3 233 B11R1.220 CC1CCC(N)(C(=O)O)CC1 AC8412 [0,1,0,1,0,0|1,0,0]=3 234 B11R1.220 CN1CCC(C)(C(=O)O)CC1 51163 [0,1,0,1,0,0|1,0,0]=3 235 B11R1.220 C[C@]1(C(N)=O)CC[C@@H](N)CC1 E71711 [0,1,0,1,0,0|1,0,0]=3 236 B11R1.23 COC(=O)C1CC(O)CCN1 F30520 [0,1,0,1,0,0|2,0,0]=4 237 B11R1.23 COC(=O)C1CCNC(C)C1 92946 [0,1,0,1,0,0|1,0,0]=3 238 B11R1.23 COC(=O)C1CCNC(C)C1 F20889 [0,1,0,1,0,0|1,0,0]=3 239 B11R1.23 COC(=O)C1CNCC(F)C1 92537 [0,1,0,1,0,0|2,0,0]=4 240 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 55807 [0,1,0,1,0,0|1,0,0]=3 241 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 D96778 [0,1,0,1,0,0|1,0,0]=3 242 B11R1.23 COC(=O)[C@@H]1CN(C)CCO1 F14193 [0,1,0,1,0,0|2,0,0]=4 243 B11R1.23 COC(=O)[C@@H]1C[C@@H](O)CCN1 AT22151 [0,1,0,1,0,0|2,0,0]=4 244 B11R1.23 COC(=O)[C@@H]1C[C@H](O)CCN1 E72332 [0,1,0,1,0,0|2,0,0]=4 245 B11R1.23 COC(=O)[C@H]1CCC[C@H](N)C1 P17832 [0,1,0,1,0,0|1,0,0]=3 246 B11R1.31 COC(=O)[C@H](C)N1CCCC1 AC5167 [0,1,0,1,0,0|1,0,0]=3 247 B11R1.44 COC(=O)C1CCC(C=O)C1 AT13554 [0,1,0,1,0,0|1,0,1]=4 248 B11R1.44 COC(=O)C1CCC(CO)C1 AT13550 [0,1,0,1,0,0|1,0,0]=3 249 B11R1.44 COC(=O)[C@@H]1C[C@@H](OC)CN1 56604 [0,1,0,1,0,0|2,0,0]=4 250 B11R1.44 COC(=O)[C@@H]1C[C@@H](OC)CN1 56611 [0,1,0,1,0,0|2,0,0]=4 251 B11R1.44 COC(=O)[C@@H]1C[C@H](OC)CN1 56607 [0,1,0,1,0,0|2,0,0]=4 252 B11R1.44 COC(=O)[C@H]1CC[C@@H](CBr)C1 D95216 [0,1,0,1,0,0|1,0,0]=3 253 B11R1.180 CNCCCN1CCOC1=O AT18748 [0,1,0,1,0,0|2,0,0]=4 254 B11R1.293 COC(=O)[C@@H](O)CC1CCC1 69649 [0,1,0,1,0,0|1,0,0]=3 255 B11R1.852 COC(=O)[C@@H]1CCCCCN1 I11326 [0,1,0,1,0,0|1,0,0]=3 256 B11R1.852 COC(=O)[C@@H]1CNCCCO1 AC5424 [0,1,0,1,0,0|2,0,0]=4 257 B11R1.852 COC(=O)[C@H]1CCCNCC1 P11164 [0,1,0,1,0,0|1,0,0]=3 258 B11R1.878 COC(=O)C1(N)CCNCC1 AC4598 [0,1,0,1,0,0|2,0,0]=4 259 B11R1.878 COC(=O)[C@@]1(C)CCCOC1 P19960 [0,1,0,1,0,0|1,0,0]=3 260 B11R1.878 COC(=O)[C@]1(C)COCCN1 83622 [0,1,0,1,0,0|2,0,0]=4 261 B11R1.878 COC(=O)[C@]1(F)CCCNC1 AT26769 [0,1,0,1,0,0|2,0,0]=4 262 B11R1.298 CC[C@@H](C(=O)O)N1CCCC1 AC5088 [0,1,0,1,0,0|1,0,0]=3 263 B11R1.298 CC[C@@H](C(=O)O)N1CCCC1 AC5093 [0,1,0,1,0,0|1,0,0]=3 264 B11R1.298 CC[C@@H](C(=O)O)N1CCCC1 AC6973 [0,1,0,1,0,0|1,0,0]=3 265 B11R1.1074 CCC1(C(=O)O)SCCCS1 E71656 [0,1,0,1,0,0|2,0,0]=4 266 B11R1.1074 NCC1(C(N)=O)CCOCC1 72095 [0,1,0,1,0,0|2,0,0]=4 267 B11R1.175 CC(=O)N1CC[C@H](C(=O)O)C1 C78417 [0,1,0,1,0,0|1,0,1]=4 268 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)C1 C16422 [0,1,0,1,0,0|1,0,1]=4 269 B11R1.730 CC1(C)C[C@@H](C(=O)O)CCO1 65005 [0,1,0,1,0,0|1,0,0]=3 270 B11R1.730 CC1(C)C[C@@H](C(=O)O)CCS1 C93276 [0,1,0,1,0,0|1,0,0]=3 271 B11R1.730 O=C(O)[C@@H]1CC(F)(F)CCN1 D79490 [0,1,0,1,0,0|2,0,0]=4 272 B11R1.730 O=C(O)[C@H]1CCCS(=O)(=O)C1 D77940 [0,1,0,1,0,0|2,0,0]=4 273 B11R2.357 O=C1CCN2CCCC1C2 AT13094 [0,0,0,2,0,0|2,0,0]=4 274 B11R2.141 O=C(O)[C@H]1CC12CCCC2 C77582 [0,0,0,2,0,0|0,0,0]=2 275 B11R2.845 CC(=O)C1CC2CCC1O2 F50487 [0,0,0,2,0,0|2,0,0]=4 276 B11R2.845 O=C(O)C1CC2CCC1O2 F51361 [0,0,0,2,0,0|1,0,0]=3 277 B11R2.845 O=C(O)C1NC2CCC1C2 W14573 [0,0,0,2,0,0|1,0,0]=3 278 B11R2.845 O=C(O)N1CC2CCC1C2 F52740 [0,0,0,2,0,0|1,0,0]=3 279 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 AT22442 [0,0,0,2,0,0|1,0,0]=3 280 B11R2.12 O=C1CCC12CCOCC2 84581 [0,0,0,2,0,0|2,0,0]=4 281 B11R2.48 O=C1N[C@H]2CC[C@@H]1CNC2 AT25021 [0,0,0,2,0,0|2,0,0]=4