0 B8R0.7 CN(C)CCCCCN D83961 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.7 NCCOCCC(=O)O C72750 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.2 NC(=O)CCCCCCO AC4329 [0,1,0,0,0,0|1,0,2]=4 3 B9R0.4 CCCC[C@H](N)CC(=O)O D85241 [0,1,0,0,0,0|1,0,1]=3 4 B9R0.4 CCCC[C@H](N)CC(=O)O D85242 [0,1,0,0,0,0|1,0,1]=3 5 B9R1.2 CC1CNCC(C#N)O1 F18933 [0,0,0,1,0,0|2,0,1]=4 6 B9R1.2 CCN1CCN[C@@H](C)C1 Y13515 [0,0,0,1,0,0|3,0,0]=4 7 B9R1.2 CC[C@H]1CCCC(=O)N1 D96357 [0,0,0,1,0,0|1,0,2]=4 8 B9R1.2 CO[C@H]1CCC[C@@H](O)C1 P18693 [0,0,0,1,0,0|1,0,0]=2 9 B9R1.2 CO[C@H]1CCC[C@H](N)C1 D96542 [0,0,0,1,0,0|2,0,0]=3 10 B9R1.2 CO[C@H]1CCN[C@@H](C)C1 P18685 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.2 C[C@@H]1CNC[C@H](CO)O1 AT18640 [0,0,0,1,0,0|2,0,0]=3 12 B9R1.6 C[C@H](O)[C@@H]1CNCCN1 79803 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.6 O=C(O)[C@H]1CCCOC1 85696 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.6 O=C(O)[C@H]1CCCOC1 85697 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.7 NCCC1CCC(F)C1 AC4332 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.7 O[C@H]1CCN(CCCl)C1 D78904 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.40 CC1(C)COCC[C@@H]1O Y13542 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.40 CC1CNCCC1(C)O 73158 [0,0,0,1,0,0|1,0,0]=2 19 B9R1.40 CN1CCNCC1(C)C W19008 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.40 C[C@H]1CCNCC1(F)F 72715 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.40 C[C@]1(O)CCNC[C@H]1F 73153 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.40 N[C@H]1CCCCC1(F)F P15776 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.40 N[C@H]1CCCCC1(F)F P15787 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.40 O[C@H]1CCCCC1(F)F P20251 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.41 CN(C)[C@H]1CCC[C@@H]1O D79450 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.41 C[C@H](O)[C@@H]1CCCN1C P20727 [0,0,0,1,0,0|1,0,0]=2 27 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O D74783 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20919 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 97382 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F12971 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O P20096 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.148 C[C@]1(F)CCCNCC1 73027 [0,0,0,1,0,0|2,0,0]=3 33 B9R1.148 C[C@]1(O)CCCCNC1 73110 [0,0,0,1,0,0|1,0,0]=2 34 B9R1.148 C[C@]1(O)CCCCNC1 D95213 [0,0,0,1,0,0|1,0,0]=2 35 B9R1.148 C[C@]1(O)CNCCOC1 73163 [0,0,0,1,0,0|2,0,0]=3 36 B6R0.4 C[C@H](Cl)CCCO AC5969 [2,0,0,0,0,0|2,0,0]=4 37 B8R0.1 C=CCC[C@@H](O)CCC D93149 [1,1,0,0,0,0|0,0,2]=4 38 B8R0.4 NCCCCCCCO D74762 [1,1,0,0,0,0|0,0,0]=2 39 B8R0.5 CCC[C@H](N)CC(=O)O Y13601 [1,1,0,0,0,0|1,0,1]=4 40 B10R0.4 C#CCCCCCCC(=O)O AT18741 [0,2,0,0,0,0|1,0,1]=4 41 B10R0.74 COC(=O)CCCCCCO W16829 [0,2,0,0,0,0|0,0,2]=4 42 B8R1.2 BrCC1CCSCC1 D84726 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.2 CC[C@H]1CCCCN1 Y10393 [1,0,0,1,0,0|1,0,0]=3 44 B8R1.2 CC[C@H]1CNCCN1 C12792 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.2 CN[C@H]1CCCOC1 D96690 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.2 FC[C@H]1CCCCN1 P12638 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.2 FC[C@H]1CCCCN1 P14249 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.2 NC[C@H]1CCCOC1 P15860 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.2 NC[C@H]1CCCOC1 P15862 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.2 OC[C@H]1CCCCO1 92919 [1,0,0,1,0,0|1,0,0]=3 51 B8R1.2 OC[C@H]1CCCCO1 P13405 [1,0,0,1,0,0|1,0,0]=3 52 B8R1.2 OC[C@H]1CCCOC1 P13406 [1,0,0,1,0,0|1,0,0]=3 53 B8R1.2 OC[C@H]1CCCOC1 P13407 [1,0,0,1,0,0|1,0,0]=3 54 B8R1.5 C[C@@H]1CCNC[C@@H]1O 72843 [1,0,0,1,0,0|1,0,0]=3 55 B8R1.5 C[C@H]1CCCC[C@@H]1N P20880 [1,0,0,1,0,0|1,0,0]=3 56 B8R1.5 C[C@H]1CCCC[C@@H]1N P20881 [1,0,0,1,0,0|1,0,0]=3 57 B8R1.5 C[C@H]1CCNC[C@@H]1F 73144 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.5 C[C@H]1CNCC[C@@H]1O P21141 [1,0,0,1,0,0|1,0,0]=3 59 B8R1.5 C[C@H]1COCC[C@@H]1N 38673 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.5 C[C@H]1COCC[C@@H]1N P17478 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.5 C[C@H]1NCCC[C@@H]1O D96985 [1,0,0,1,0,0|1,0,0]=3 62 B8R1.5 C[C@H]1NCCC[C@@H]1O D96986 [1,0,0,1,0,0|1,0,0]=3 63 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20115 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20239 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.5 N[C@@H]1CCOC[C@@H]1O 38663 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.5 N[C@@H]1CCOC[C@@H]1O P15155 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.5 N[C@@H]1COCC[C@@H]1O P16446 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.5 N[C@@H]1COCC[C@@H]1O P21118 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.5 N[C@@H]1COCC[C@@H]1O P21119 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.5 O[C@@H]1CCNC[C@@H]1F 73030 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.5 O[C@@H]1CCOC[C@@H]1F P16658 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.5 O[C@@H]1CNCC[C@@H]1F P15157 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.5 O[C@@H]1CNCC[C@@H]1F P15750 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.5 O[C@H]1CCNC[C@@H]1F 73096 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.5 O[C@H]1CCOC[C@@H]1F P17909 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.8 CCC[C@H]1CCCN1 D85246 [1,0,0,1,0,0|1,0,0]=3 77 B8R1.8 NCC[C@H]1CCOC1 D96809 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.10 OCCCC1CNC1 D96736 [1,0,0,1,0,0|1,0,0]=3 79 B8R1.11 CC1CCCC1CO 72730 [1,0,0,1,0,0|0,0,0]=2 80 B8R1.11 CO[C@H]1CCC[C@H]1N P19444 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.11 CO[C@H]1CNC[C@@H]1O P19984 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.11 CO[C@H]1CNC[C@H]1O P19606 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.11 C[C@@H]1NCC[C@@H]1CO 73106 [1,0,0,1,0,0|1,0,0]=3 84 B8R1.11 C[C@@H]1OCC[C@@H]1CO 73087 [1,0,0,1,0,0|1,0,0]=3 85 B8R1.11 C[C@H]1CNC[C@@H]1CO P18720 [1,0,0,1,0,0|1,0,0]=3 86 B8R1.11 NC[C@H]1CCC[C@@H]1F 73033 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.11 OC[C@H]1NCC[C@@H]1O 95527 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.12 OC[C@H]1CC[C@@H]1CO AT20082 [1,0,0,1,0,0|1,0,0]=3 89 B8R1.13 COC[C@@H]1CC[C@@H]1N P20527 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.13 COC[C@@H]1CC[C@@H]1N P20692 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.13 COC[C@H]1CC[C@@H]1N P19812 [1,0,0,1,0,0|2,0,0]=4 92 B8R1.13 COC[C@H]1CC[C@@H]1N P20526 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.22 C[C@H]1CCOCCN1 C90344 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.22 F[C@H]1CCCCNC1 72929 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.22 F[C@H]1CCCNCC1 72243 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.22 N[C@H]1CCCCNC1 32198 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.22 N[C@H]1CCCOCC1 33401 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.1 CC1CCC(CO)C1 72724 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.4 C[C@H]1CCC[C@H](C)N1 P19345 [1,0,0,1,0,0|1,0,0]=3 100 B8R1.4 C[C@H]1CCC[C@H](C)N1 P20082 [1,0,0,1,0,0|1,0,0]=3 101 B8R1.4 C[C@H]1COC[C@H](C)N1 F18925 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38753 [1,0,0,1,0,0|1,0,0]=3 103 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38754 [1,0,0,1,0,0|1,0,0]=3 104 B8R1.4 NC1CCCC(F)C1 D96615 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.4 NN1CCC[C@H](O)C1 Y14768 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10758 [1,0,0,1,0,0|1,0,0]=3 107 B8R1.4 N[C@@H]1CCC[C@H](O)C1 D77153 [1,0,0,1,0,0|1,0,0]=3 108 B8R1.4 N[C@H]1CCC[C@H](N)C1 P15793 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.4 N[C@H]1CCC[C@H](O)C1 C73496 [1,0,0,1,0,0|1,0,0]=3 110 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 P19870 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.4 O[C@@H]1CNC[C@H](O)C1 C77406 [1,0,0,1,0,0|2,0,0]=4 112 B8R1.7 CC(C)[C@H]1CCNC1 P17773 [1,0,0,1,0,0|2,0,0]=4 113 B8R1.19 C[C@]1(O)CCC[C@@H]1N D84856 [1,0,0,1,0,0|1,0,0]=3 114 B8R1.31 CC1CCC1C(=O)O D96793 [1,0,0,1,0,0|1,0,1]=4 115 B8R1.72 C[C@]1(O)CCCNC1 AT10307 [1,0,0,1,0,0|1,0,0]=3 116 B8R1.72 C[C@]1(O)CCCNC1 D97149 [1,0,0,1,0,0|1,0,0]=3 117 B10R1.13 CC(=O)[C@H]1CC[C@H](N)CC1 AT26085 [0,1,0,1,0,0|0,0,2]=4 118 B10R1.13 CN(C)[C@H]1CC[C@H](N)CC1 C14691 [0,1,0,1,0,0|2,0,0]=4 119 B10R1.13 C[C@H]1CC[C@@H](C(=O)O)CC1 C90647 [0,1,0,1,0,0|1,0,1]=4 120 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 AT22316 [0,1,0,1,0,0|1,0,1]=4 121 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 P20482 [0,1,0,1,0,0|1,0,1]=4 122 B10R1.54 O=C(O)C[C@@H]1CC[C@H](O)C1 P19536 [0,1,0,1,0,0|1,0,1]=4 123 B10R1.18 C[C@H](N)CC1CCCCC1 C75565 [0,1,0,1,0,0|1,0,0]=3 124 B10R1.18 C[C@H](O)CC1CCNCC1 D79799 [0,1,0,1,0,0|0,0,0]=2 125 B10R1.61 CC(=O)C1CCCCC1F P18235 [0,1,0,1,0,0|0,0,2]=4 126 B10R1.61 CC(C)N1CCNC[C@@H]1C AT26058 [0,1,0,1,0,0|2,0,0]=4 127 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O D85978 [0,1,0,1,0,0|1,0,1]=4 128 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O Y13544 [0,1,0,1,0,0|1,0,1]=4 129 B10R1.133 CC1(C)CCCN1CCN N13103 [0,1,0,1,0,0|2,0,0]=4 130 B10R1.300 CC1CNCCCC1(C)O 73166 [0,1,0,1,0,0|0,0,0]=2 131 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P19284 [0,1,0,1,0,0|1,0,1]=4 132 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P20954 [0,1,0,1,0,0|1,0,1]=4 133 B10R1.1 N[C@H]1CC[C@H](CCO)CC1 P16378 [0,1,0,1,0,0|2,0,0]=4 134 B10R1.15 N[C@@H](CO)C1CCCCC1 Y14570 [0,1,0,1,0,0|1,0,0]=3 135 B10R1.172 FCC1CNCC(CF)O1 85766 [0,1,0,1,0,0|2,0,0]=4 136 B10R1.230 O[C@@]1(CF)CCNC[C@H]1F 73155 [0,1,0,1,0,0|2,0,0]=4 137 B10R1.232 OC[C@]1(F)CCCNCC1 73111 [0,1,0,1,0,0|2,0,0]=4 138 B10R1.113 CC(C)N1CCC[C@H](N)C1 D79204 [0,1,0,1,0,0|2,0,0]=4 139 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P19276 [0,1,0,1,0,0|1,0,1]=4 140 B10R2.71 F[C@H]1C[C@@H]2CC[C@H](C1)N2 P15491 [0,0,0,2,0,0|2,0,0]=4 141 B10R2.71 NC1CC2CCC(C1)C2 37863 [0,0,0,2,0,0|1,0,0]=3 142 B10R2.71 NC1CC2CCC(C1)O2 P13959 [0,0,0,2,0,0|1,0,0]=3 143 B10R2.71 NC1CC2CCC(C1)O2 P14620 [0,0,0,2,0,0|1,0,0]=3 144 B10R2.71 NC1C[C@@H]2CC[C@H](C1)O2 D78830 [0,0,0,2,0,0|1,0,0]=3 145 B10R2.71 OC1CC2CCC(C1)O2 P10814 [0,0,0,2,0,0|1,0,0]=3 146 B10R2.534 C[C@H]1CNCC2(CC2)N1 81517 [0,0,0,2,0,0|2,0,0]=4 147 B10R2.534 O=C1CCCC2(CC2)C1 P17305 [0,0,0,2,0,0|0,0,2]=4 148 B10R2.1 N[C@H]1CC12CCCCC2 D84852 [0,0,0,2,0,0|1,0,0]=3 149 B10R2.6 C1CC[C@@H](C2CC2)NC1 C73625 [0,0,0,2,0,0|2,0,0]=4 150 B10R2.344 O=C(O)C12CCCC1C2 D96790 [0,0,0,2,0,0|1,0,1]=4 151 B10R2.2 OC1CC2CNCC2C1 P13125 [0,0,0,2,0,0|1,0,0]=3 152 B10R2.2 O[C@@H]1C[C@@H]2CNC[C@@H]2C1 P19002 [0,0,0,2,0,0|1,0,0]=3 153 B10R2.2 O[C@H]1C[C@@H]2CNC[C@@H]2C1 P13675 [0,0,0,2,0,0|1,0,0]=3 154 B10R2.332 O[C@@H]1CSC2(CNC2)C1 W14089 [0,0,0,2,0,0|2,0,0]=4 155 B10R2.332 O[C@H]1CCC2(CNC2)C1 P17463 [0,0,0,2,0,0|1,0,0]=3 156 B10R2.358 O=C(O)[C@H]1CCC12CC2 P20291 [0,0,0,2,0,0|1,0,1]=4