0 B8R0.6 C#C[C@@H](O)CCCCC 51060 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.6 C#C[C@@H](O)CCCCC T72294 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.6 C=CC(=O)NCCCO C77634 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.6 CC[C@H](C)CCCCO T72651 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.6 N#C[C@@H](O)CCCCO AC4705 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.1 C=CCCCCCCl I11994 [1,0,0,0,0,0|1,0,0]=2 6 B7R0.1 C=CCCCCCO F14745 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.1 C=CC\C=C\CCC T72633 [1,0,0,0,0,0|0,0,2]=3 8 B7R0.1 CNCCCCCO AT11157 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.1 CNCCCCCO AT11158 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.1 C\C=C/CCCCC T72919 [1,0,0,0,0,0|0,0,2]=3 11 B7R0.1 O=CCCCCCCl 24359 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.1 OCCCCCCI AT14272 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.3 CCCC[C@H](N)CO D75114 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.3 CCCC[C@H](N)CO H10583 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.4 CCCCCC(N)=S W19000 [1,0,0,0,0,0|1,1,1]=4 16 B9R0.1 CC[C@H](C)CCCC(C)C T70540 [0,1,0,0,0,0|1,0,2]=4 17 B9R0.34 C=C[C@@H](O)CC(=O)OCC AC6052 [0,1,0,0,0,0|1,0,1]=3 18 B9R0.34 CCCC(C)CC(C)CC T70352 [0,1,0,0,0,0|1,0,2]=4 19 B9R0.46 CCCCCC[C@@H](C)CC T72672 [0,1,0,0,0,0|1,0,2]=4 20 B9R0.46 CCCCCC[C@H](O)CO C16570 [0,1,0,0,0,0|1,0,1]=3 21 B9R0.46 CC[C@H](C)CCCCCO T71591 [0,1,0,0,0,0|1,0,2]=4 22 B9R0.46 OCCCCC[C@H](O)CO T72391 [0,1,0,0,0,0|1,0,1]=3 23 B9R0.47 CCCCCC(=O)C(=O)O A11260 [0,1,0,0,0,0|1,0,2]=4 24 B9R0.47 NCCCC[C@H]([15NH2])C(=O)O D98677 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.1 CC[C@H]1CC[C@H](N)CC1 AT14260 [0,0,0,1,0,0|1,0,2]=4 26 B9R1.1 NCC1CCC(O)CC1 C77951 [0,0,0,1,0,0|1,0,2]=4 27 B9R1.2 CC1CCCC(CO)N1 P11618 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.2 CN1CCC[C@H](C=O)C1 I11140 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.3 CC1CCCC(C)C1C T71900 [0,0,0,1,0,0|1,0,2]=4 30 B9R1.3 CN1CCC[C@H](N)C1=O P11331 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.5 N[C@H]1CCCCC[C@@H]1O AT10930 [0,0,0,1,0,0|1,0,1]=3 32 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [0,0,0,1,0,0|2,0,0]=3 33 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [0,0,0,1,0,0|2,0,0]=3 34 B9R1.5 O=C1CCNCC[C@@H]1Br C90706 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.5 O=C1NCCCC[C@@H]1Br F50955 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.7 CCCN1C=CC(O)=N1 AC6302 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.7 COCC1CC(O)CN1 AT22824 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.7 COC[C@@H]1C[C@H](O)CN1 AT22827 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.7 COC[C@H]1C[C@H](O)CN1 AT22810 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.11 C=C[C@@H](O)C1CCCC1 F52271 [0,0,0,1,0,0|0,0,0]=1 41 B9R1.11 CCC(O)C1CCNC1 F30893 [0,0,0,1,0,0|1,0,2]=4 42 B9R1.11 CC[C@H](N)C1CCCC1 N12792 [0,0,0,1,0,0|1,0,2]=4 43 B9R1.11 CC[C@H](N)C1CCCC1 N14676 [0,0,0,1,0,0|1,0,2]=4 44 B9R1.11 CC[C@H](N)C1CCCC1 N14677 [0,0,0,1,0,0|1,0,2]=4 45 B9R1.11 NC[C@H](O)C1CCCC1 W15961 [0,0,0,1,0,0|1,0,1]=3 46 B9R1.11 N[C@@H](CO)C1CCCC1 N11290 [0,0,0,1,0,0|2,0,1]=4 47 B9R1.11 N[C@@H](CO)C1CCCC1 N11334 [0,0,0,1,0,0|2,0,1]=4 48 B9R1.89 O=CC1CCCCCC1 AT13628 [0,0,0,1,0,0|2,0,0]=3 49 B9R1.118 C#C[C@]1(O)CCCNC1 91402 [0,0,0,1,0,0|1,0,2]=4 50 B9R1.118 CC1(C=O)CCSCC1 AT10702 [0,0,0,1,0,0|3,0,0]=4 51 B9R1.118 CC1(CN)CCCCC1 71856 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.118 FC1(CBr)CCCCC1 C93351 [0,0,0,1,0,0|2,0,1]=4 53 B9R1.118 NC1(CO)CCCCC1 AT12680 [0,0,0,1,0,0|2,0,1]=4 54 B9R1.118 NC1(CO)CCCCC1 AT12681 [0,0,0,1,0,0|2,0,1]=4 55 B9R1.118 NC1(CO)CCCCC1 D74962 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.118 NCC1(N)CCCCC1 D73325 [0,0,0,1,0,0|2,0,1]=4 57 B9R1.118 NCC1(O)CCCCC1 C78197 [0,0,0,1,0,0|1,0,1]=3 58 B9R1.118 NCC1(O)CCNCC1 F30912 [0,0,0,1,0,0|2,0,1]=4 59 B9R1.118 OCC1(F)CCCCC1 26699 [0,0,0,1,0,0|2,0,1]=4 60 B6R0.6 C=CCCCC=C T72268 [2,0,0,0,0,0|0,0,2]=4 61 B6R0.6 C=CCSCCN AT25545 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.6 COCCCCN C77605 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.6 NCCSCCO AT25550 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.6 OCCNCCO AB10274 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.6 OCCOCCI C77657 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.6 [2H]OCCCCC D99155 [2,0,0,0,0,0|2,0,0]=4 67 B6R0.1 C=C[C@@H](C)CCC T72328 [2,0,0,0,0,0|1,0,0]=3 68 B6R0.1 C=C[C@@H](O)CC#N F19703 [2,0,0,0,0,0|1,0,1]=4 69 B6R0.4 CCNC[C@H](C)O 91070 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.4 C[C@H](O)CCCBr A11305 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.4 C[C@H](O)CCCN AT20756 [2,0,0,0,0,0|1,0,1]=4 72 B6R0.4 [2H][C@H](Br)CCCC D99408 [2,0,0,0,0,0|2,0,0]=4 73 B8R0.1 CCCC[C@H](N)CCO D73273 [1,1,0,0,0,0|1,0,1]=4 74 B8R0.4 C=CCCNCCOC E72576 [1,1,0,0,0,0|1,0,0]=3 75 B8R0.4 CNCCCCCCO AT11159 [1,1,0,0,0,0|1,0,1]=4 76 B8R0.4 ClCCCCCCCCl T71360 [1,1,0,0,0,0|1,0,1]=4 77 B8R0.4 NCCCCCCCO AT22494 [1,1,0,0,0,0|1,0,1]=4 78 B8R0.7 CCCCNCC(=O)O D87235 [1,1,0,0,0,0|2,0,0]=4 79 B8R0.7 NC(=O)CCCCCO AC6170 [1,1,0,0,0,0|2,0,0]=4 80 B8R0.7 [2H][C@H](Br)CCCCCC D99523 [1,1,0,0,0,0|1,0,1]=4 81 B8R0.7 [2H][C@H](O)CCCCCC D99646 [1,1,0,0,0,0|1,0,1]=4 82 B8R0.8 CCCC[C@H](N)C(N)=O S11604 [1,1,0,0,0,0|2,0,0]=4 83 B8R0.5 CCC[C@H](N)CC(=O)O N15479 [1,1,0,0,0,0|1,0,1]=4 84 B8R0.5 CCC[C@H](N)CC(=O)O N15480 [1,1,0,0,0,0|1,0,1]=4 85 B8R0.21 [2H]C([2H])(Br)CCCCC D99038 [1,1,0,0,0,0|2,0,0]=4 86 B8R0.21 [2H]C([2H])(O)CCCCC D99028 [1,1,0,0,0,0|1,0,0]=3 87 B8R0.28 C=C(C)CCCC(C)C T70747 [1,1,0,0,0,0|1,0,1]=4 88 B10R0.6 CCCCC[C@H](N)CC(=O)O D88166 [0,2,0,0,0,0|1,0,1]=4 89 B10R0.91 CCCCC[C@@H](O)CCCC T70997 [0,2,0,0,0,0|0,0,2]=4 90 B10R0.91 CCCCC[C@H](O)\C=C\C=O AC8369 [0,2,0,0,0,0|0,0,0]=2 91 B10R0.42 [2H]C([2H])(CCCCC)C(=O)O D99595 [0,2,0,0,0,0|2,0,0]=4 92 B10R0.74 CCCCCCC[C@H](O)CO T72466 [0,2,0,0,0,0|1,0,1]=4 93 B10R0.74 OCCCCCC[C@H](O)CO T72401 [0,2,0,0,0,0|1,0,1]=4 94 B8R1.2 CC[C@H]1CCCCN1 N11156 [1,0,0,1,0,0|1,0,1]=4 95 B8R1.2 CNC1CCCCC1 S12279 [1,0,0,1,0,0|1,0,1]=4 96 B8R1.2 CO[C@@H]1C=CCCC1 D91600 [1,0,0,1,0,0|1,0,0]=3 97 B8R1.2 O=CC1CCNCC1 62056 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.5 CN1CCCCC1=O C16744 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.5 C[C@H]1CCNCC1=O P13522 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.5 C[C@H]1CCOCC1=O F53480 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.8 C=CC[C@H]1CCCN1 N15483 [1,0,0,1,0,0|1,0,0]=3 102 B8R1.8 CCC[C@H]1CCCN1 N12832 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.8 CNCC1CCCC1 A11546 [1,0,0,1,0,0|1,0,1]=4 104 B8R1.8 NCCC1CCCC1 23497 [1,0,0,1,0,0|1,0,1]=4 105 B8R1.8 O=CCN1CCCC1 AC9721 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.10 CNCCC1CCC1 P12905 [1,0,0,1,0,0|1,0,1]=4 107 B8R1.11 CC[C@H]1CCNC1=O AT18851 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.11 CO[C@H]1CCCC1=O AT25997 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.22 C[C@H]1CCCCCN1 AT22104 [1,0,0,1,0,0|1,0,1]=4 110 B8R1.36 CCCCC[C@H]1CO1 T72538 [1,0,0,1,0,0|1,0,1]=4 111 B8R1.38 NC[C@H](O)C1CCC1 AT11473 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.41 CCCCC1(O)CC1 AT11369 [1,0,0,1,0,0|0,0,2]=4 113 B8R1.50 CC1CCC(C)C1=O F12414 [1,0,0,1,0,0|2,0,0]=4 114 B8R1.50 CN1CC[C@H](O)C1=O AT18763 [1,0,0,1,0,0|2,0,0]=4 115 B8R1.4 CC1CNC[C@H](C)O1 F18928 [1,0,0,1,0,0|1,0,1]=4 116 B8R1.4 CN1CCC[C@H](O)C1 AC6069 [1,0,0,1,0,0|1,0,1]=4 117 B8R1.4 C[C@H]1CCC[C@H](C)N1 P21143 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.4 C[C@H]1CNC[C@@H](C)O1 F18871 [1,0,0,1,0,0|1,0,1]=4 119 B8R1.4 C[C@H]1CNC[C@@H](O)C1 AT13824 [1,0,0,1,0,0|1,0,1]=4 120 B8R1.4 C[C@H]1CNC[C@H](C)O1 F18885 [1,0,0,1,0,0|1,0,1]=4 121 B8R1.4 C[C@H]1C[C@@H](O)CCN1 P12569 [1,0,0,1,0,0|1,0,1]=4 122 B8R1.4 N[C@H]1CCC[C@H](O)C1 F11499 [1,0,0,1,0,0|1,0,1]=4 123 B8R1.4 N[C@H]1CCC[C@H](O)C1 P19975 [1,0,0,1,0,0|1,0,1]=4 124 B8R1.6 CCCN1CC(O)C1 P19017 [1,0,0,1,0,0|1,0,1]=4 125 B8R1.7 CC(C)C1CCCC1 T72412 [1,0,0,1,0,0|1,0,1]=4 126 B8R1.7 CC(O)C1CCNC1 72765 [1,0,0,1,0,0|1,0,1]=4 127 B8R1.7 CC(O)C1CCNC1 W10547 [1,0,0,1,0,0|1,0,1]=4 128 B8R1.7 CC(O)[C@@H]1CCCN1 AT26535 [1,0,0,1,0,0|1,0,1]=4 129 B8R1.7 C[C@H](N)C1CCCC1 79900 [1,0,0,1,0,0|1,0,1]=4 130 B8R1.7 C[C@H](N)C1CCCC1 79901 [1,0,0,1,0,0|1,0,1]=4 131 B8R1.34 C[C@H](N)CC1CCC1 55436 [1,0,0,1,0,0|1,0,1]=4 132 B8R1.43 CCC1CC1C(=O)O AT12378 [1,0,0,1,0,0|1,0,1]=4 133 B8R1.72 CC1(N)CCCCC1 W10115 [1,0,0,1,0,0|1,0,1]=4 134 B10R1.13 CC(C)[C@H]1C=CC(=O)CC1 AT12689 [0,1,0,1,0,0|0,0,2]=4 135 B10R1.54 CC(=O)O[C@@H]1C=C[C@@H](O)C1 F18070 [0,1,0,1,0,0|1,0,1]=4 136 B10R1.54 CC(=O)O[C@@H]1C=C[C@H](O)C1 62221 [0,1,0,1,0,0|1,0,1]=4 137 B10R1.171 CC1(C)CCC[C@H](C=O)C1 AT26803 [0,1,0,1,0,0|2,0,0]=4 138 B10R1.19 N#C[C@H]1CCCCCC1=O AC9253 [0,1,0,1,0,0|2,0,0]=4 139 B10R1.21 CCCCCN1C=CN=C1 AC5153 [0,1,0,1,0,0|2,0,0]=4 140 B10R1.15 CC[C@H](O)C1CCOCC1 AC9165 [0,1,0,1,0,0|0,0,2]=4 141 B10R1.15 O=C[C@@H](F)C1CCOCC1 C93349 [0,1,0,1,0,0|2,0,0]=4 142 B10R1.6 CC(C)(C=O)C1CCCC1 AT26739 [0,1,0,1,0,0|2,0,0]=4 143 B10R1.3 CCC1CCC(C=O)CC1 79556 [0,1,0,1,0,0|2,0,0]=4 144 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)O1 F18898 [0,1,0,1,0,0|2,0,0]=4 145 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)O1 F18902 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98384 [0,1,0,1,0,0|2,0,0]=4 147 B10R1.363 NC1(C(=O)O)CCCCC1 I11975 [0,1,0,1,0,0|2,0,0]=4 148 B10R1.363 O=C(O)C1(O)CCNCC1 C80061 [0,1,0,1,0,0|2,0,0]=4 149 B10R1.363 O=C(O)[C@]1(O)CCCNC1 F53431 [0,1,0,1,0,0|2,0,0]=4 150 B10R1.363 O=C(O)[C@]1(O)CCCNC1 F53597 [0,1,0,1,0,0|2,0,0]=4 151 B10R1.363 [2H]C1(C(=O)O)CCCCC1 D99315 [0,1,0,1,0,0|2,0,0]=4 152 B10R1.487 NCC1(CO)CCCCC1 P18343 [0,1,0,1,0,0|1,0,1]=4 153 B10R1.487 OCC1(CO)CCCCC1 A50718 [0,1,0,1,0,0|1,0,1]=4 154 B10R2.178 O=C1CCC2CCC1C2 AT22812 [0,0,0,2,0,0|2,0,0]=4 155 B10R2.178 O[C@H]1CC[C@H]2CC[C@@H]1N2 D79171 [0,0,0,2,0,0|1,0,1]=4 156 B10R2.61 O[C@@H]1C[C@H]2CCC[C@@H]1N2 P15058 [0,0,0,2,0,0|1,0,1]=4 157 B10R2.61 O[C@H]1C[C@H]2CCC[C@@H]1N2 P15059 [0,0,0,2,0,0|1,0,1]=4 158 B10R2.3 O[C@H]1CCC12CCCC2 84854 [0,0,0,2,0,0|0,0,2]=4