0 B8R0.6 CCCCCC(=O)CBr C73149 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.6 COC(=O)COCCO D84694 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.6 COC\C=C\C(=O)OC P17071 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.1 CCCNCCCO AB4057 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.1 FCCCCCCBr A50948 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.1 NCCCCCCBr D83295 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.1 NCCCCCCS F31196 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.3 C#CCCC(=O)OC AT21755 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.3 C=CC(=O)NCCC AB9941 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.3 C=CCCC(=O)OC AT23749 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.3 CCC(=O)OCCO A11774 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.3 CNCCC(=O)OC AB11809 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.3 COC(=O)CCCI F19766 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.4 CC(=O)CCCCBr O11558 [1,0,0,0,0,0|1,0,0]=2 14 B7R0.4 CC(=O)OCCCBr C75766 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.4 CC(C)CCCCBr C74820 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.4 CCCNCC(C)C AC1640 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.4 CCCOCC(=O)O AC1647 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.4 CCNCCC(N)=O AT24732 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.4 CN(C)CCCCCl W16936 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.4 CNCCCC(N)=O 21232 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.4 COCCCC(=O)O 78063 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.4 C[C@H](Cl)CCCCCl A12620 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.4 NCCNCC(=O)O FD21628 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.4 O=C([O-])COCCO A11454 [1,0,0,0,0,0|3,0,0]=4 25 B9R0.1 CC(C)CCC[C@H](C)CO A11755 [0,1,0,0,0,0|2,0,1]=4 26 B9R0.5 CCCCC[C@H](O)CCO A10789 [0,1,0,0,0,0|0,0,2]=3 27 B9R0.5 CCOC(=O)CCCC#N 84960 [0,1,0,0,0,0|1,0,1]=3 28 B9R0.5 CCOC(=O)CCCC=O N10598 [0,1,0,0,0,0|1,0,1]=3 29 B9R0.5 CCOC(=O)CCCCN 23836 [0,1,0,0,0,0|1,0,0]=2 30 B9R0.5 CCOC(=O)\C=C\CCBr I11241 [0,1,0,0,0,0|1,0,2]=4 31 B9R0.5 CCOC(=O)\C=C\CCO W16297 [0,1,0,0,0,0|1,0,2]=4 32 B9R0.5 COCCNC(=O)CC#N 71396 [0,1,0,0,0,0|2,0,1]=4 33 B9R0.8 CNC(=O)[C@@H](Br)CCCBr AC6474 [0,1,0,0,0,0|2,0,0]=3 34 B9R0.24 CCC(=O)CCC(=O)CC Y14693 [0,1,0,0,0,0|0,0,1]=2 35 B9R0.24 CCC(C)CCC(C)CO D93170 [0,1,0,0,0,0|2,0,1]=4 36 B9R0.24 CCC(O)CCC(O)CC D86710 [0,1,0,0,0,0|0,0,2]=3 37 B9R0.24 CC[C@H](O)CC[C@@H](O)CC 55799 [0,1,0,0,0,0|0,0,2]=3 38 B9R0.24 COC(=O)CCC(=O)CBr D72688 [0,1,0,0,0,0|2,0,1]=4 39 B9R0.24 O=C(CS)OC[C@@H](O)CO H10926 [0,1,0,0,0,0|3,0,0]=4 40 B9R0.34 CCC[C@H](N)CC(=O)OC N15478 [0,1,0,0,0,0|1,0,0]=2 41 B9R0.34 CCC[C@H](N)CC(=O)OC N16940 [0,1,0,0,0,0|1,0,0]=2 42 B9R0.34 CCC[C@H](O)CC(=O)OC D93333 [0,1,0,0,0,0|1,0,0]=2 43 B9R0.46 C=CC(=O)NCCCCO C75218 [0,1,0,0,0,0|1,0,2]=4 44 B9R0.46 CCCCCC[C@H](O)CBr D93070 [0,1,0,0,0,0|1,0,2]=4 45 B9R0.46 CCNCCCC(=O)OC 72977 [0,1,0,0,0,0|1,0,0]=2 46 B9R0.46 CCOCCOC(=O)CCl D79711 [0,1,0,0,0,0|2,0,0]=3 47 B9R0.46 COC(=O)CSCCCCl W12305 [0,1,0,0,0,0|2,0,0]=3 48 B9R0.47 C=C(C)C(=O)NCCCC AB10367 [0,1,0,0,0,0|1,0,1]=3 49 B9R0.47 C=C(C)C(=O)OCCCO A12375 [0,1,0,0,0,0|2,0,1]=4 50 B9R0.47 CCCCCC(=O)N(C)C C16028 [0,1,0,0,0,0|1,0,0]=2 51 B9R1.1 C=C1CCC(CO)CC1 F13032 [0,0,0,1,0,0|2,0,0]=3 52 B9R1.1 CCN1CCC(N)CC1 W15425 [0,0,0,1,0,0|2,0,1]=4 53 B9R1.1 CC[C@H]1CC[C@H](O)CC1 F19617 [0,0,0,1,0,0|0,0,2]=3 54 B9R1.1 CN1CCC(CBr)CC1 84194 [0,0,0,1,0,0|3,0,0]=4 55 B9R1.1 CN1CCC(CN)CC1 BL002502 [0,0,0,1,0,0|3,0,0]=4 56 B9R1.1 CNC1CCC(N)CC1 CS1725 [0,0,0,1,0,0|2,0,1]=4 57 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 38918 [0,0,0,1,0,0|1,0,2]=4 58 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 C77279 [0,0,0,1,0,0|1,0,2]=4 59 B9R1.1 CN[C@H]1CC[C@H](O)CC1 C77158 [0,0,0,1,0,0|1,0,2]=4 60 B9R1.1 COC1CCC(N)CC1 26413 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.1 CON1CCC(=O)CC1 92073 [0,0,0,1,0,0|2,0,0]=3 62 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 S11590 [0,0,0,1,0,0|2,0,1]=4 63 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 S11591 [0,0,0,1,0,0|2,0,1]=4 64 B9R1.1 CO[C@H]1CC[C@H](N)CC1 S11822 [0,0,0,1,0,0|2,0,1]=4 65 B9R1.1 CO[C@H]1CC[C@H](O)CC1 D84292 [0,0,0,1,0,0|1,0,2]=4 66 B9R1.1 NCC1CCC(=O)CC1 56684 [0,0,0,1,0,0|1,0,0]=2 67 B9R1.1 NC[C@H]1CCC(=O)NC1 37820 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 P14164 [0,0,0,1,0,0|1,0,2]=4 69 B9R1.1 NC[C@H]1CC[C@H](O)CC1 P14163 [0,0,0,1,0,0|1,0,2]=4 70 B9R1.1 NC[C@H]1CNC(=O)CO1 W10861 [0,0,0,1,0,0|3,0,0]=4 71 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 39277 [0,0,0,1,0,0|2,0,1]=4 72 B9R1.1 O=C1CC[C@H](CO)CN1 C72773 [0,0,0,1,0,0|2,0,0]=3 73 B9R1.1 O=C1CN[C@@H](CF)CN1 D97270 [0,0,0,1,0,0|3,0,0]=4 74 B9R1.1 O=C1CO[C@@H](CO)CN1 AB7325 [0,0,0,1,0,0|3,0,0]=4 75 B9R1.1 O=C1CO[C@@H](CO)CN1 P10704 [0,0,0,1,0,0|3,0,0]=4 76 B9R1.1 O=C1CO[C@@H](CO)CN1 P10705 [0,0,0,1,0,0|3,0,0]=4 77 B9R1.1 O=CC1CCC(=O)CC1 C77323 [0,0,0,1,0,0|1,0,1]=3 78 B9R1.1 OC[C@H]1CC[C@@H](O)CC1 P19128 [0,0,0,1,0,0|1,0,2]=4 79 B9R1.1 OC[C@H]1CC[C@H](O)CC1 T72373 [0,0,0,1,0,0|1,0,2]=4 80 B9R1.2 CCC1=CC(=O)CCC1 A10067 [0,0,0,1,0,0|2,0,1]=4 81 B9R1.2 CCN1CCN[C@@H](C)C1 Y13520 [0,0,0,1,0,0|3,0,0]=4 82 B9R1.3 CN1C(=O)CCCC1=O C74292 [0,0,0,1,0,0|2,0,1]=4 83 B9R1.5 CC1CCCNCC1C 73165 [0,0,0,1,0,0|2,0,1]=4 84 B9R1.5 CN1CCCNCC1=O 37932 [0,0,0,1,0,0|2,0,0]=3 85 B9R1.5 CN1CCCNCC1=O Y10016 [0,0,0,1,0,0|2,0,0]=3 86 B9R1.5 CN1CCNCCC1=O Y10618 [0,0,0,1,0,0|2,0,0]=3 87 B9R1.5 C[C@@H]1NCCCNC1=O F50270 [0,0,0,1,0,0|2,0,0]=3 88 B9R1.5 C[C@@H]1NCCCNC1=O F50344 [0,0,0,1,0,0|2,0,0]=3 89 B9R1.5 C[C@H]1CCNCCC1=O 73013 [0,0,0,1,0,0|1,0,0]=2 90 B9R1.5 N[C@H]1CCCCNC1=O A56020 [0,0,0,1,0,0|2,0,0]=3 91 B9R1.5 O=C1CCNCC[C@@H]1Br 98344 [0,0,0,1,0,0|2,0,0]=3 92 B9R1.5 O=C1CNCCC[C@@H]1F 72994 [0,0,0,1,0,0|2,0,0]=3 93 B9R1.7 CCC[C@@H]1COC(=O)C1 S10720 [0,0,0,1,0,0|1,0,0]=2 94 B9R1.7 CCC[C@H]1CCC(=O)C1 A10517 [0,0,0,1,0,0|0,0,0]=1 95 B9R1.7 CCN[C@H]1CCN(C)C1 38278 [0,0,0,1,0,0|3,0,0]=4 96 B9R1.7 CCOC1=CC(=O)CC1 W16153 [0,0,0,1,0,0|1,0,2]=4 97 B9R1.7 CN1CC[C@H](CCN)C1 37308 [0,0,0,1,0,0|3,0,0]=4 98 B9R1.7 CN1CC[C@H](CCO)C1 37198 [0,0,0,1,0,0|3,0,0]=4 99 B9R1.11 CNC(=O)[C@@H]1CCCN1 C13792 [0,0,0,1,0,0|2,0,0]=3 100 B9R1.11 CNC(=O)[C@H]1CCNC1 C77874 [0,0,0,1,0,0|2,0,0]=3 101 B9R1.11 COC(=O)[C@@H]1CCCN1 D82335 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.11 COC(=O)[C@H]1CCNC1 37185 [0,0,0,1,0,0|2,0,0]=3 103 B9R1.11 COC(=O)[C@H]1CCNC1 37186 [0,0,0,1,0,0|2,0,0]=3 104 B9R1.11 COC(=O)[C@H]1CCOC1 P12029 [0,0,0,1,0,0|2,0,0]=3 105 B9R1.11 COC(=O)[C@H]1CCOC1 P12030 [0,0,0,1,0,0|2,0,0]=3 106 B9R1.11 NCC(=O)N1CCCC1 W18110 [0,0,0,1,0,0|2,0,0]=3 107 B9R1.11 NNC(=O)[C@H]1CCOC1 28802 [0,0,0,1,0,0|3,0,0]=4 108 B9R1.11 O=C(CBr)C1CCCC1 P20314 [0,0,0,1,0,0|1,0,0]=2 109 B9R1.11 O=C(CO)N1CCCC1 W15877 [0,0,0,1,0,0|2,0,0]=3 110 B9R1.49 CN1CCC[C@H](N)CC1 37046 [0,0,0,1,0,0|2,0,1]=4 111 B9R1.49 CN1CCC[C@H](O)CC1 63484 [0,0,0,1,0,0|1,0,2]=4 112 B9R1.49 CN1CCNC(=O)CC1 Y10078 [0,0,0,1,0,0|2,0,0]=3 113 B9R1.49 O=C1CCC[C@H](O)CN1 N10631 [0,0,0,1,0,0|2,0,0]=3 114 B9R1.50 O=C1CNCCCNC1 77720 [0,0,0,1,0,0|2,0,0]=3 115 B9R1.50 O=C1NCCCCCN1 W17640 [0,0,0,1,0,0|2,0,0]=3 116 B9R1.79 COC(=O)CC1CCC1 20777 [0,0,0,1,0,0|1,0,0]=2 117 B9R1.79 COC(=O)CC1CNC1 C71903 [0,0,0,1,0,0|2,0,0]=3 118 B9R1.79 COC(=O)CC1COC1 82645 [0,0,0,1,0,0|2,0,0]=3 119 B9R1.79 O=C(CBr)CC1CCC1 D79065 [0,0,0,1,0,0|1,0,0]=2 120 B9R1.80 COC(=O)C#CC1CC1 W15222 [0,0,0,1,0,0|1,0,2]=4 121 B9R1.80 COC(=O)\C=C\C1CC1 89072 [0,0,0,1,0,0|1,0,2]=4 122 B9R1.81 COC(=O)C1CNC1C P14367 [0,0,0,1,0,0|2,0,0]=3 123 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N 37832 [0,0,0,1,0,0|2,0,0]=3 124 B9R1.88 COC(=O)C1CC1CN P14227 [0,0,0,1,0,0|2,0,0]=3 125 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO P20071 [0,0,0,1,0,0|2,0,0]=3 126 B9R1.89 CCN1CCCCCC1 A11156 [0,0,0,1,0,0|2,0,0]=3 127 B9R1.89 CCN1CCCNCC1 I11453 [0,0,0,1,0,0|3,0,0]=4 128 B9R1.89 OC[C@H]1CCCCCN1 C12372 [0,0,0,1,0,0|2,0,1]=4 129 B9R1.118 CCC1(N)CCCCC1 21224 [0,0,0,1,0,0|1,0,1]=3 130 B9R1.118 CCC1(N)CCOCC1 P16087 [0,0,0,1,0,0|2,0,1]=4 131 B9R1.118 NCC1(F)CCCCC1 85745 [0,0,0,1,0,0|2,0,1]=4 132 B9R1.132 CN1C(=O)CC[C@@H]1CO 94188 [0,0,0,1,0,0|2,0,0]=3 133 B9R1.132 CN1C(=O)CC[C@@H]1CO 94193 [0,0,0,1,0,0|2,0,0]=3 134 B9R1.132 CN1C(=O)CC[C@@H]1CO S11484 [0,0,0,1,0,0|2,0,0]=3 135 B6R0.6 CCOCCCBr A11082 [2,0,0,0,0,0|2,0,0]=4 136 B6R0.6 CC\C=C/CCI 98107 [2,0,0,0,0,0|1,0,1]=4 137 B6R0.6 CNCCCCBr C74879 [2,0,0,0,0,0|2,0,0]=4 138 B6R0.6 CNCCCCN D80538 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.6 NCCCCCBr 97997 [2,0,0,0,0,0|2,0,0]=4 140 B6R0.6 OCCCCCO D77911 [2,0,0,0,0,0|2,0,0]=4 141 B6R0.1 CCC[C@@H](Br)CC D78429 [2,0,0,0,0,0|1,0,1]=4 142 B6R0.1 CCNC(=O)CO 79517 [2,0,0,0,0,0|2,0,0]=4 143 B6R0.1 CNC(=O)CCN C75423 [2,0,0,0,0,0|2,0,0]=4 144 B6R0.1 CNC(=O)CCO AC6610 [2,0,0,0,0,0|2,0,0]=4 145 B6R0.1 CNC(=O)CCS A11187 [2,0,0,0,0,0|2,0,0]=4 146 B6R0.4 C=C(C)CCCBr 71968 [2,0,0,0,0,0|2,0,0]=4 147 B6R0.4 CC(=O)CCC=O P17049 [2,0,0,0,0,0|1,0,1]=4 148 B6R0.4 CC(=O)CCCBr 25631 [2,0,0,0,0,0|1,0,0]=3 149 B6R0.4 CC(=O)OCCN W11955 [2,0,0,0,0,0|2,0,0]=4 150 B6R0.4 CCOCC(=O)O D73862 [2,0,0,0,0,0|2,0,0]=4 151 B6R0.4 NCCCC(N)=O C72206 [2,0,0,0,0,0|2,0,0]=4 152 B8R0.1 CCCC[C@H](C)CCO D93301 [1,1,0,0,0,0|1,0,1]=4 153 B8R0.1 CCC[C@H](C)CCCO A12859 [1,1,0,0,0,0|1,0,1]=4 154 B8R0.4 COCCCCCCBr S10679 [1,1,0,0,0,0|1,0,1]=4 155 B8R0.3 CCCC(=O)C(=O)OC T72754 [1,1,0,0,0,0|1,0,1]=4 156 B8R0.3 COC(=O)[C@@H](N)CCBr 52036 [1,1,0,0,0,0|2,0,0]=4 157 B8R0.3 COC[C@H](N)C(=O)OC C73433 [1,1,0,0,0,0|2,0,0]=4 158 B8R0.8 CCCCC(=O)[C@H](C)N C72970 [1,1,0,0,0,0|0,0,0]=2 159 B8R0.8 CN(C)C(=O)CCCCl S12226 [1,1,0,0,0,0|2,0,0]=4 160 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [1,1,0,0,0,0|1,0,0]=3 161 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [1,1,0,0,0,0|1,0,0]=3 162 B8R0.19 COC(=O)C[C@H](O)CCl A11858 [1,1,0,0,0,0|2,0,0]=4 163 B8R0.5 CCCC(=O)CC(C)=O 79568 [1,1,0,0,0,0|0,0,1]=3 164 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [1,1,0,0,0,0|0,0,0]=2 165 B8R0.5 CCC[C@H](C)CC(C)C F17729 [1,1,0,0,0,0|1,0,1]=4 166 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [1,1,0,0,0,0|1,0,0]=3 167 B8R0.21 CCCCCS(N)(=O)=O P18656 [1,1,0,0,0,0|2,0,0]=4 168 B8R0.28 CC(=O)NCCC(C)C S10520 [1,1,0,0,0,0|1,0,0]=3 169 B8R0.28 CC(C)CNCC(=O)O W10796 [1,1,0,0,0,0|2,0,0]=4 170 B10R0.3 C=C(C)CCCC(=O)OCC C75004 [0,2,0,0,0,0|0,0,1]=3 171 B10R0.3 CCOC(=O)CCC[N+](=O)[O-] Y14690 [0,2,0,0,0,0|2,0,0]=4 172 B10R0.82 CCC(=O)CC[C@H](C)[N+](=O)[O-] C76657 [0,2,0,0,0,0|2,0,0]=4 173 B10R0.1 CCCC(=O)OCCCSC 73858 [0,2,0,0,0,0|1,0,0]=3 174 B10R0.1 CCCCNCC(=O)OCC AB3730 [0,2,0,0,0,0|0,0,0]=2 175 B10R0.1 CCOC(=O)CNCCC#N AB7171 [0,2,0,0,0,0|1,0,1]=4 176 B10R0.1 CCOC(=O)CNCCC#N Y10514 [0,2,0,0,0,0|1,0,1]=4 177 B10R0.1 CCOC(=O)\C=C\CCCCl 58166 [0,2,0,0,0,0|0,0,2]=4 178 B10R0.6 CC(C)NC(=O)NCCCN AR2456 [0,2,0,0,0,0|2,0,0]=4 179 B10R0.19 C=CCC[C@H](N)C(=O)OCC W17088 [0,2,0,0,0,0|0,0,2]=4 180 B10R0.24 CCCCC[C@@H](CO)CCC 77487 [0,2,0,0,0,0|0,0,2]=4 181 B10R0.83 CCCCCC(=O)[C@@H](C)CC D84197 [0,2,0,0,0,0|0,0,0]=2 182 B10R0.83 C\C=C(/C)C(=O)OCCCC A12842 [0,2,0,0,0,0|1,0,1]=4 183 B10R0.91 CCCCNC(=O)OCCO D93331 [0,2,0,0,0,0|1,0,0]=3 184 B10R0.108 CCCC(=O)OC[C@@H](O)CO A10828 [0,2,0,0,0,0|2,0,0]=4 185 B10R0.108 CCOC(=O)CCC(=O)CBr 79134 [0,2,0,0,0,0|1,0,1]=4 186 B10R0.35 CCOC(=O)[C@@H](C)C(=O)CC AB10080 [0,2,0,0,0,0|1,0,1]=4 187 B10R0.45 COC(=O)CCC(OC)OC W12514 [0,2,0,0,0,0|2,0,0]=4 188 B10R0.18 COCCC(=O)CC(=O)OC T72723 [0,2,0,0,0,0|1,0,1]=4 189 B10R0.29 CCC[C@H](CC)CC(=O)OC D94272 [0,2,0,0,0,0|1,0,0]=3 190 B10R0.55 COC(=O)CCCCC(C)=O F16317 [0,2,0,0,0,0|1,0,0]=3 191 B10R0.74 NCC(=O)NCCCCCBr D84097 [0,2,0,0,0,0|1,0,0]=3 192 B8R1.2 BrCC1=CCCCC1 37274 [1,0,0,1,0,0|1,0,1]=4 193 B8R1.2 CCC1CCNCC1 W10090 [1,0,0,1,0,0|1,0,0]=3 194 B8R1.2 CC[C@H]1CCCCN1 Y10457 [1,0,0,1,0,0|1,0,1]=4 195 B8R1.2 CNC1CCNCC1 Y10435 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.2 CNC1CCSCC1 D93432 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.2 COC1=NCCCC1 D87703 [1,0,0,1,0,0|2,0,0]=4 198 B8R1.2 ClCC1CCNCC1 P17439 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.2 ClCC1CCOCC1 C77585 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.2 FCC1CCNCC1 F10330 [1,0,0,1,0,0|2,0,0]=4 201 B8R1.2 ICC1CCCCC1 AC1131 [1,0,0,1,0,0|1,0,1]=4 202 B8R1.2 NCC1CCSCC1 P11855 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.2 NCC1CCSCC1 P17457 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.5 CC1NCCOC1C F12405 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [1,0,0,1,0,0|1,0,1]=4 206 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [1,0,0,1,0,0|1,0,1]=4 207 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [1,0,0,1,0,0|1,0,0]=3 208 B8R1.8 BrCCC1CCCC1 C78009 [1,0,0,1,0,0|1,0,1]=4 209 B8R1.8 CCN[C@H]1CCNC1 T72394 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.8 CCN[C@H]1CCOC1 F14260 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.8 CCO[C@H]1CCNC1 P10149 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.8 COC[C@H]1CCNC1 72010 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.8 COC[C@H]1CCNC1 P10622 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.8 COC[C@H]1CCNC1 P12588 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.8 COC[C@H]1CCNC1 P15249 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.8 COC[C@H]1CCNC1 P15255 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.8 ClCCC1CCCC1 AC1057 [1,0,0,1,0,0|1,0,1]=4 218 B8R1.10 CCOCC1CNC1 D84845 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.22 BrC1CCCCCC1 F53566 [1,0,0,1,0,0|1,0,1]=4 220 B8R1.22 C[C@H]1CCCCCN1 D79537 [1,0,0,1,0,0|1,0,0]=3 221 B8R1.22 C[C@H]1CCCCCN1 D79538 [1,0,0,1,0,0|1,0,0]=3 222 B8R1.22 C[C@H]1CCCCCN1 W10101 [1,0,0,1,0,0|1,0,0]=3 223 B8R1.22 C[C@H]1CCCCNC1 72971 [1,0,0,1,0,0|1,0,1]=4 224 B8R1.22 C[C@H]1CCNCCN1 70847 [1,0,0,1,0,0|2,0,0]=4 225 B8R1.22 C[C@H]1CNCCCO1 72856 [1,0,0,1,0,0|2,0,0]=4 226 B8R1.22 N[C@H]1CCCNCC1 36658 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.1 N#C[C@H]1CCC(=O)C1 D96674 [1,0,0,1,0,0|1,0,1]=4 228 B8R1.1 NC[C@@H]1CNC(=O)C1 37317 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.1 NC[C@@H]1CNC(=O)C1 37318 [1,0,0,1,0,0|2,0,0]=4 230 B8R1.1 NC[C@@H]1CNC(=O)C1 P15063 [1,0,0,1,0,0|2,0,0]=4 231 B8R1.1 NC[C@H]1CCC(=O)N1 D76501 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.1 NC[C@H]1CCC(=O)N1 P10403 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.1 NC[C@H]1CCC(=O)N1 P15844 [1,0,0,1,0,0|2,0,0]=4 234 B8R1.1 NC[C@H]1CCC(=O)N1 P18547 [1,0,0,1,0,0|2,0,0]=4 235 B8R1.1 NC[C@H]1CCC(=O)N1 P19760 [1,0,0,1,0,0|2,0,0]=4 236 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [1,0,0,1,0,0|2,0,0]=4 237 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [1,0,0,1,0,0|1,0,0]=3 238 B8R1.1 O=C1CC[C@H](CO)O1 80970 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.1 O=C1C[C@H](CO)CN1 P11209 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.3 CC1CCC(O)CC1 D73186 [1,0,0,1,0,0|0,0,2]=4 241 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [1,0,0,1,0,0|0,0,2]=4 242 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [1,0,0,1,0,0|1,0,0]=3 243 B8R1.3 C[C@H]1CC[C@H](O)CC1 A12839 [1,0,0,1,0,0|0,0,2]=4 244 B8R1.3 C[C@H]1CNC(=O)CN1 P15845 [1,0,0,1,0,0|2,0,0]=4 245 B8R1.3 C[C@H]1CNC(=O)CN1 P17730 [1,0,0,1,0,0|2,0,0]=4 246 B8R1.3 C[C@H]1CNC(=O)CN1 P18573 [1,0,0,1,0,0|2,0,0]=4 247 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [1,0,0,1,0,0|2,0,0]=4 248 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [1,0,0,1,0,0|2,0,0]=4 249 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [1,0,0,1,0,0|2,0,0]=4 250 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [1,0,0,1,0,0|2,0,0]=4 251 B8R1.3 O=C1CCC(F)CC1 23163 [1,0,0,1,0,0|1,0,0]=3 252 B8R1.3 O=C1CC[C@H](F)CN1 P20230 [1,0,0,1,0,0|2,0,0]=4 253 B8R1.3 O=C1CC[C@H](O)CN1 62219 [1,0,0,1,0,0|2,0,0]=4 254 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [1,0,0,1,0,0|2,0,0]=4 255 B8R1.38 CCC(=O)C1COC1 D79147 [1,0,0,1,0,0|1,0,0]=3 256 B8R1.38 CNC(=O)C1CNC1 P20515 [1,0,0,1,0,0|2,0,0]=4 257 B8R1.38 COC(=O)C1COC1 81275 [1,0,0,1,0,0|2,0,0]=4 258 B8R1.38 COC(=O)[C@@H]1CCN1 38788 [1,0,0,1,0,0|2,0,0]=4 259 B8R1.38 O=C(CBr)N1CCC1 P20407 [1,0,0,1,0,0|2,0,0]=4 260 B8R1.40 COC(=O)CC1CC1 28012 [1,0,0,1,0,0|1,0,0]=3 261 B8R1.4 CN1CCCC(=O)C1 S10664 [1,0,0,1,0,0|1,0,0]=3 262 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [1,0,0,1,0,0|1,0,1]=4 263 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [1,0,0,1,0,0|1,0,0]=3 264 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [1,0,0,1,0,0|1,0,0]=3 265 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [1,0,0,1,0,0|1,0,0]=3 266 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [1,0,0,1,0,0|1,0,0]=3 267 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [1,0,0,1,0,0|1,0,0]=3 268 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [1,0,0,1,0,0|2,0,0]=4 269 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [1,0,0,1,0,0|2,0,0]=4 270 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [1,0,0,1,0,0|2,0,0]=4 271 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [1,0,0,1,0,0|2,0,0]=4 272 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [1,0,0,1,0,0|1,0,0]=3 273 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [1,0,0,1,0,0|2,0,0]=4 274 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [1,0,0,1,0,0|2,0,0]=4 276 B8R1.6 CCCC1CC(=O)C1 D96728 [1,0,0,1,0,0|0,0,0]=2 277 B8R1.6 N#CCC1CC(=O)C1 P15944 [1,0,0,1,0,0|1,0,1]=4 278 B8R1.7 CC(=O)[C@H]1CCOC1 79964 [1,0,0,1,0,0|1,0,0]=3 279 B8R1.7 CC(=O)[C@H]1NCCS1 C73779 [1,0,0,1,0,0|2,0,0]=4 280 B8R1.7 C[C@H](N)C1CCCC1 66137 [1,0,0,1,0,0|1,0,1]=4 281 B8R1.7 C[C@H](N)C1CCCC1 83604 [1,0,0,1,0,0|1,0,1]=4 282 B8R1.7 NC(=O)N1CCCC1 32811 [1,0,0,1,0,0|2,0,0]=4 283 B8R1.7 NC(=O)[C@H]1CCNC1 31795 [1,0,0,1,0,0|2,0,0]=4 284 B8R1.7 NC(=O)[C@H]1CCNC1 37190 [1,0,0,1,0,0|2,0,0]=4 285 B8R1.7 NC(=O)[C@H]1CCOC1 39026 [1,0,0,1,0,0|2,0,0]=4 286 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [1,0,0,1,0,0|2,0,0]=4 287 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [1,0,0,1,0,0|2,0,0]=4 288 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [1,0,0,1,0,0|2,0,0]=4 289 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [1,0,0,1,0,0|2,0,0]=4 290 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [1,0,0,1,0,0|2,0,0]=4 291 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [1,0,0,1,0,0|2,0,0]=4 292 B8R1.31 CC1NCC1C(=O)O P14366 [1,0,0,1,0,0|2,0,0]=4 293 B8R1.31 CN1CC[C@H]1C(=O)O D79077 [1,0,0,1,0,0|2,0,0]=4 294 B8R1.31 CN1CC[C@H]1C(=O)O F50250 [1,0,0,1,0,0|2,0,0]=4 295 B8R1.31 CN1CC[C@H]1C(=O)O F50319 [1,0,0,1,0,0|2,0,0]=4 296 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O P15238 [1,0,0,1,0,0|2,0,0]=4 297 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P15463 [1,0,0,1,0,0|2,0,0]=4 298 B8R1.34 CC(=O)CC1CCC1 D79207 [1,0,0,1,0,0|0,0,0]=2 299 B8R1.34 CC(=O)CC1COC1 CS1731 [1,0,0,1,0,0|1,0,0]=3 300 B8R1.34 CC(=O)OC1CNC1 C72427 [1,0,0,1,0,0|2,0,0]=4 301 B8R1.34 CC(=O)OC1CNC1 C76369 [1,0,0,1,0,0|2,0,0]=4 302 B8R1.34 N=C(N)CC1CCC1 33747 [1,0,0,1,0,0|2,0,0]=4 303 B8R1.34 O=C(O)CC1CNC1 37024 [1,0,0,1,0,0|2,0,0]=4 304 B8R1.34 O=C(O)CC1COC1 66388 [1,0,0,1,0,0|2,0,0]=4 305 B8R1.34 O=C(O)CN1CCC1 55159 [1,0,0,1,0,0|2,0,0]=4 306 B8R1.34 O=C([O-])CC1COC1 P19943 [1,0,0,1,0,0|2,0,0]=4 307 B8R1.35 O=C(O)CNC1CC1 F14996 [1,0,0,1,0,0|2,0,0]=4 308 B8R1.35 O=C(O)CNC1CC1 W15242 [1,0,0,1,0,0|2,0,0]=4 309 B8R1.43 O=C(O)C1CC1CCl D85971 [1,0,0,1,0,0|2,0,0]=4 310 B8R1.43 O=C(O)[C@H]1C[C@@H]1CCl P19534 [1,0,0,1,0,0|2,0,0]=4 311 B8R1.72 CC1(Br)CCCCC1 P19508 [1,0,0,1,0,0|1,0,1]=4 312 B10R1.13 CC(C)[C@H]1CC[C@@H](O)CC1 D78896 [0,1,0,1,0,0|0,0,2]=4 313 B10R1.13 CC(C)[C@H]1CC[C@H](O)CC1 T71864 [0,1,0,1,0,0|0,0,2]=4 314 B10R1.13 NC(=O)C1CCC(=O)CC1 S11473 [0,1,0,1,0,0|1,0,1]=4 315 B10R1.14 COC(=O)C1CCC(O)C1 P17887 [0,1,0,1,0,0|1,0,0]=3 316 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 86119 [0,1,0,1,0,0|1,0,0]=3 317 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 P13549 [0,1,0,1,0,0|1,0,0]=3 318 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 P13902 [0,1,0,1,0,0|1,0,0]=3 319 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 71650 [0,1,0,1,0,0|2,0,0]=4 320 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 AT21627 [0,1,0,1,0,0|2,0,0]=4 321 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 72963 [0,1,0,1,0,0|2,0,0]=4 322 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 83570 [0,1,0,1,0,0|2,0,0]=4 323 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 P10176 [0,1,0,1,0,0|1,0,1]=4 324 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 P12477 [0,1,0,1,0,0|1,0,1]=4 325 B10R1.14 COC(=O)[C@H]1CCN(C)C1 F12360 [0,1,0,1,0,0|2,0,0]=4 326 B10R1.14 COC(=O)[C@H]1CC[C@H](Br)C1 P16721 [0,1,0,1,0,0|1,0,0]=3 327 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P13551 [0,1,0,1,0,0|1,0,0]=3 328 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P20282 [0,1,0,1,0,0|1,0,0]=3 329 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 P16736 [0,1,0,1,0,0|1,0,0]=3 330 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 80174 [0,1,0,1,0,0|1,0,1]=4 331 B10R1.150 COC(=O)CC1CC(=O)C1 84726 [0,1,0,1,0,0|1,0,1]=4 332 B10R1.150 COC(=O)CC1CC(N)C1 P19705 [0,1,0,1,0,0|1,0,0]=3 333 B10R1.150 COC(=O)CC1CC(O)C1 P17672 [0,1,0,1,0,0|1,0,0]=3 334 B10R1.302 CC1(C)CCNC(=O)CC1 W16051 [0,1,0,1,0,0|1,0,0]=3 335 B10R1.11 CCOC(=O)C1=CCCC1 71128 [0,1,0,1,0,0|0,0,2]=4 336 B10R1.11 CCOC(=O)[C@H]1CCNC1 AC2254 [0,1,0,1,0,0|1,0,0]=3 337 B10R1.11 N#CCC(=O)C1CCCC1 84149 [0,1,0,1,0,0|0,0,1]=3 338 B10R1.11 N#CCC(=O)[C@H]1CCOC1 P11746 [0,1,0,1,0,0|1,0,1]=4 339 B10R1.25 CC[C@H]1CNC(=O)CC1=O 27452 [0,1,0,1,0,0|1,0,1]=4 340 B10R1.78 O=C1CCCCCCCC1 AC8766 [0,1,0,1,0,0|0,0,0]=2 341 B10R1.78 O=C1CCCCCCCN1 D74918 [0,1,0,1,0,0|0,0,0]=2 342 B10R1.85 NCCN1CCCCCC1 52073 [0,1,0,1,0,0|2,0,0]=4 343 B10R1.135 CCOC(=O)C1CC1C#N A12647 [0,1,0,1,0,0|1,0,1]=4 344 B10R1.135 CCOC(=O)C1CC1CO F13437 [0,1,0,1,0,0|1,0,0]=3 345 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1C#N P16190 [0,1,0,1,0,0|1,0,1]=4 346 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1C#N P16387 [0,1,0,1,0,0|1,0,1]=4 347 B10R1.135 CCOC(=O)[C@H]1C[C@H]1CO F50050 [0,1,0,1,0,0|1,0,0]=3 348 B10R1.137 CCOC(=O)CC1CNC1 D80644 [0,1,0,1,0,0|1,0,0]=3 349 B10R1.137 CCOC(=O)CC1COC1 82536 [0,1,0,1,0,0|1,0,0]=3 350 B10R1.138 CCOC(=O)\C=C\C1CC1 W10675 [0,1,0,1,0,0|0,0,2]=4 351 B10R1.245 CC1CCCC(C)C1CO P18073 [0,1,0,1,0,0|1,0,1]=4 352 B10R1.377 NCCC1(O)CCCCC1 D96646 [0,1,0,1,0,0|0,0,2]=4 353 B10R1.15 CCC(=O)C1CCCCC1 F53827 [0,1,0,1,0,0|0,0,0]=2 354 B10R1.15 CC[C@H](N)C1CCCCC1 N10674 [0,1,0,1,0,0|1,0,1]=4 355 B10R1.15 CC[C@H](N)C1CCCCC1 O10192 [0,1,0,1,0,0|1,0,1]=4 356 B10R1.15 CNC(=O)[C@H]1CCCNC1 D75606 [0,1,0,1,0,0|1,0,0]=3 357 B10R1.15 CNC(=O)[C@H]1CCCNC1 P12591 [0,1,0,1,0,0|1,0,0]=3 358 B10R1.15 CNC(=O)[C@H]1CCCNC1 P12592 [0,1,0,1,0,0|1,0,0]=3 359 B10R1.15 COC(=O)C1CCSCC1 74108 [0,1,0,1,0,0|1,0,0]=3 360 B10R1.15 COC(=O)N1CCOCC1 AC6632 [0,1,0,1,0,0|2,0,0]=4 361 B10R1.15 COC(=O)[C@@H]1COCCN1 25784 [0,1,0,1,0,0|2,0,0]=4 362 B10R1.15 COC(=O)[C@@H]1COCCN1 31155 [0,1,0,1,0,0|2,0,0]=4 363 B10R1.15 COC(=O)[C@@H]1COCCN1 P10713 [0,1,0,1,0,0|2,0,0]=4 364 B10R1.15 COC(=O)[C@H]1CCCNC1 P10578 [0,1,0,1,0,0|1,0,0]=3 365 B10R1.15 NCC(=O)N1CCCCC1 F21140 [0,1,0,1,0,0|1,0,0]=3 366 B10R1.15 NNC(=O)[C@H]1CCCOC1 P12180 [0,1,0,1,0,0|2,0,0]=4 367 B10R1.15 O=C(CBr)C1CCOCC1 P11188 [0,1,0,1,0,0|1,0,0]=3 368 B10R1.15 O=C(CBr)N1CCCCC1 S12026 [0,1,0,1,0,0|1,0,0]=3 369 B10R1.15 O=C(CO)C1CCCCC1 D93099 [0,1,0,1,0,0|1,0,0]=3 370 B10R1.15 O=C(CO)N1CCOCC1 W10210 [0,1,0,1,0,0|2,0,0]=4 371 B10R1.169 COC(=O)C1CC(CN)C1 P14518 [0,1,0,1,0,0|2,0,0]=4 372 B10R1.169 COC(=O)C1CC(CO)C1 W11147 [0,1,0,1,0,0|2,0,0]=4 373 B10R1.169 COC(=O)[C@H]1C[C@@H](CO)C1 D96731 [0,1,0,1,0,0|2,0,0]=4 374 B10R1.182 COC(=O)[C@@H](N)C1CCC1 67401 [0,1,0,1,0,0|1,0,0]=3 375 B10R1.182 COC(=O)[C@@H](N)C1CCC1 67408 [0,1,0,1,0,0|1,0,0]=3 376 B10R1.182 COC(=O)[C@@H](N)C1CCC1 F53592 [0,1,0,1,0,0|1,0,0]=3 377 B10R1.182 COC(=O)[C@@H](N)C1CCC1 F53678 [0,1,0,1,0,0|1,0,0]=3 378 B10R1.182 COC(=O)[C@@H](N)C1COC1 59697 [0,1,0,1,0,0|2,0,0]=4 379 B10R1.182 COC(=O)[C@@H](N)C1COC1 93236 [0,1,0,1,0,0|2,0,0]=4 380 B10R1.184 CNC(=O)[C@@H](N)CC1CC1 P18030 [0,1,0,1,0,0|1,0,0]=3 381 B10R1.184 COC(=O)[C@@H](O)CC1CC1 69648 [0,1,0,1,0,0|1,0,0]=3 382 B10R1.275 CN1CCCC[C@H](N)C1=O 66077 [0,1,0,1,0,0|1,0,0]=3 383 B10R1.411 CNC(=O)C1(N)CCCC1 P18998 [0,1,0,1,0,0|1,0,0]=3 384 B10R1.411 COC(=O)C1(Br)CCCC1 W12602 [0,1,0,1,0,0|1,0,0]=3 385 B10R1.411 COC(=O)C1(O)CCCC1 P15503 [0,1,0,1,0,0|1,0,0]=3 386 B10R1.411 COC(=O)[C@@]1(C)CCNC1 P11476 [0,1,0,1,0,0|2,0,0]=4 387 B10R1.411 COC(=O)[C@]1(Br)CCOC1 W19570 [0,1,0,1,0,0|2,0,0]=4 388 B10R1.411 COC(=O)[C@]1(C)CCCO1 38867 [0,1,0,1,0,0|2,0,0]=4 389 B10R1.411 COC(=O)[C@]1(F)CCNC1 72785 [0,1,0,1,0,0|2,0,0]=4 390 B10R1.411 COC(=O)[C@]1(N)CCOC1 P13106 [0,1,0,1,0,0|2,0,0]=4 391 B10R1.26 NCC1CCS(=O)(=O)CC1 38061 [0,1,0,1,0,0|2,0,0]=4 392 B10R1.26 O=S1(=O)CCC(CO)CC1 AC6194 [0,1,0,1,0,0|2,0,0]=4 393 B10R1.300 CC1(C)NCCCNC1=O D79437 [0,1,0,1,0,0|2,0,0]=4 394 B10R1.300 O=C1NCCCCC1(Br)Br 77966 [0,1,0,1,0,0|2,0,0]=4 395 B10R1.300 O=C1NCCCCC1(Cl)Cl W15271 [0,1,0,1,0,0|2,0,0]=4 396 B10R1.3 CCC1CCC(CO)CC1 P18075 [0,1,0,1,0,0|0,0,2]=4 397 B10R1.3 O=CC1CCC(CO)CC1 D93138 [0,1,0,1,0,0|1,0,1]=4 398 B10R1.3 O=CN1CCC(CO)CC1 F16174 [0,1,0,1,0,0|2,0,0]=4 399 B10R1.473 CC[N+]1(C)CCC(=O)CC1 83759 [0,1,0,1,0,0|1,0,0]=3 400 B10R1.27 C=CC(=O)NC1CCCC1 AB10373 [0,1,0,1,0,0|0,0,2]=4 401 B10R1.27 COC(=O)C[C@H]1CCCN1 27751 [0,1,0,1,0,0|1,0,0]=3 402 B10R1.27 COC(=O)C[C@H]1CCCN1 C74748 [0,1,0,1,0,0|1,0,0]=3 403 B10R1.27 COC(=O)C[C@H]1CCNC1 11209 [0,1,0,1,0,0|1,0,0]=3 404 B10R1.27 COC(=O)C[C@H]1CCNC1 11210 [0,1,0,1,0,0|1,0,0]=3 405 B10R1.149 COC(=O)C1CNCC1C F21201 [0,1,0,1,0,0|1,0,0]=3 406 B10R1.149 COC(=O)[C@@H]1CCCN1C D94450 [0,1,0,1,0,0|1,0,0]=3 407 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N 30654 [0,1,0,1,0,0|1,0,0]=3 408 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N N12552 [0,1,0,1,0,0|1,0,0]=3 409 B10R1.149 COC(=O)[C@@H]1COC[C@@H]1N P15748 [0,1,0,1,0,0|2,0,0]=4 410 B10R1.149 COC(=O)[C@H]1CCC[C@@H]1N D96592 [0,1,0,1,0,0|1,0,0]=3 411 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C 95112 [0,1,0,1,0,0|1,0,0]=3 412 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C P17333 [0,1,0,1,0,0|1,0,0]=3 413 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C P20900 [0,1,0,1,0,0|1,0,0]=3 414 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C S12236 [0,1,0,1,0,0|1,0,0]=3 415 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O 89325 [0,1,0,1,0,0|2,0,0]=4 416 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O P15500 [0,1,0,1,0,0|2,0,0]=4 417 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O P14684 [0,1,0,1,0,0|2,0,0]=4 418 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O VT1192 [0,1,0,1,0,0|2,0,0]=4 419 B10R1.390 COC[C@]1(C)CNC(=O)C1 AT19128 [0,1,0,1,0,0|2,0,0]=4 420 B10R1.1 CCCN1CCC(N)CC1 A51080 [0,1,0,1,0,0|1,0,1]=4 421 B10R1.1 CCOC1CCC(N)CC1 AB9186 [0,1,0,1,0,0|1,0,1]=4 422 B10R1.1 CN1CCC(CCN)CC1 30445 [0,1,0,1,0,0|2,0,0]=4 423 B10R1.1 CNCC1CCN(C)CC1 F17447 [0,1,0,1,0,0|2,0,0]=4 424 B10R1.1 N#CCC1CCC(=O)CC1 A10161 [0,1,0,1,0,0|0,0,1]=3 425 B10R1.1 NC1CCC(CCO)CC1 S10769 [0,1,0,1,0,0|1,0,1]=4 426 B10R1.1 NCCC1CCC(O)CC1 T70309 [0,1,0,1,0,0|0,0,2]=4 427 B10R1.1 O=C1CCC(CCO)CC1 AB7316 [0,1,0,1,0,0|0,0,0]=2 428 B10R1.1 OCCC1CCC(O)CC1 F17096 [0,1,0,1,0,0|0,0,2]=4 429 B10R1.16 CCCC[C@H]1CCC(=O)O1 AC2057 [0,1,0,1,0,0|0,0,0]=2 430 B10R1.161 O=CC1CCCCCCC1 59424 [0,1,0,1,0,0|0,0,1]=3 431 B10R1.172 CCN1CCC[C@H](CO)C1 F52823 [0,1,0,1,0,0|2,0,0]=4 432 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 42244 [0,1,0,1,0,0|2,0,0]=4 433 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 C77916 [0,1,0,1,0,0|2,0,0]=4 434 B10R1.23 CN(C)C(=O)[C@H]1CCNC1 D80577 [0,1,0,1,0,0|2,0,0]=4 435 B10R1.23 C[C@H](O)C(=O)N1CCCC1 75158 [0,1,0,1,0,0|1,0,0]=3 436 B10R1.114 CC1(C)C(=O)CCCC1=O P11759 [0,1,0,1,0,0|1,0,1]=4 437 B10R1.363 CC(C)C1(O)CCCCC1 D93300 [0,1,0,1,0,0|0,0,2]=4 438 B10R2.178 O=C1NCC2CCC1N2 P17879 [0,0,0,2,0,0|2,0,0]=4 439 B10R2.335 O=C1CCC2(CC1)CC2 71948 [0,0,0,2,0,0|0,0,0]=2 440 B10R2.582 NC12CCC(CC1)CC2 60107 [0,0,0,2,0,0|1,0,1]=4 441 B10R2.408 C1CC2CCCC(C1)N2 38672 [0,0,0,2,0,0|1,0,1]=4 442 B10R2.2 O=C1CC2CSCC2C1 38018 [0,0,0,2,0,0|1,0,0]=3 443 B10R2.2 O=C1C[C@H]2CSC[C@@H]2C1 AT14674 [0,0,0,2,0,0|1,0,0]=3 444 B10R2.2 O=C1NC2CCCC2O1 N10687 [0,0,0,2,0,0|2,0,0]=4 445 B10R2.32 O=C1CCC2CNCC12 P10378 [0,0,0,2,0,0|1,0,0]=3 446 B10R2.32 O=C1CO[C@@H]2OCC[C@H]12 C91362 [0,0,0,2,0,0|2,0,0]=4 447 B10R2.332 O=C1CC2(CCC2)CN1 D73448 [0,0,0,2,0,0|1,0,0]=3 448 B10R2.332 O=C1CC2(CN1)COC2 84048 [0,0,0,2,0,0|2,0,0]=4 449 B10R2.332 O=C1CC2(CNC2)CN1 F16075 [0,0,0,2,0,0|2,0,0]=4 450 B10R2.332 O=C1CC2(CNC2)CN1 O10622 [0,0,0,2,0,0|2,0,0]=4 451 B10R2.332 O=C1COC2(CCC2)C1 D84838 [0,0,0,2,0,0|1,0,0]=3 452 B10R2.332 O=C1COC2(COC2)C1 D96718 [0,0,0,2,0,0|2,0,0]=4 453 B10R2.332 O=C1NC2(CCC2)CO1 F31393 [0,0,0,2,0,0|2,0,0]=4 454 B10R2.332 O=C1NCC2(CCC2)O1 37823 [0,0,0,2,0,0|2,0,0]=4 455 B10R2.3 O=C1CC[C@@]12CCOC2 84551 [0,0,0,2,0,0|1,0,0]=3 456 B10R2.16 NC1(C2CCCC2)CC1 94850 [0,0,0,2,0,0|1,0,1]=4