0 B7R0.4 CC(=O)CCCCBr O11558 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 CC(=O)OCCCBr C75766 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.4 CCCNCC(C)C AC1640 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.4 CCCOCC(=O)O AC1647 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.4 CCNCCC(N)=O AT24732 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.4 CNCCCC(N)=O 21232 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.4 COCCCC(=O)O 78063 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.4 C\C=C/C=C/C(=O)O D86563 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.4 NCCNCC(=O)O FD21628 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.4 O=C([O-])COCCO A11454 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.4 C#CCNC(C)=O 78861 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.4 C=C(C)CCCBr 71968 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 CC(=O)CCC=O P17049 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.4 CC(=O)CCCBr 25631 [1,0,0,0,0,0|1,0,1]=3 14 B6R0.4 CC(=O)OCCN W11955 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.4 CCOCC(=O)O D73862 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.4 COC=CC(=O)O D97266 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.4 NC(=O)OCCO A11395 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.4 NCCCC(N)=O C72206 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.4 O=C(O)\C=C\CCl 11303 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.6 CC\C=C/CCI 98107 [1,0,0,0,0,0|1,0,1]=3 21 B8R0.5 CCCC(=O)CC(C)=O 79568 [0,1,0,0,0,0|0,0,1]=2 22 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [0,1,0,0,0,0|0,0,2]=3 23 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [0,1,0,0,0,0|1,0,2]=4 24 B8R0.5 CCC\C(C)=C\C(=O)O A11778 [0,1,0,0,0,0|1,0,0]=2 25 B8R0.5 CCOC(=O)CC(=O)[O-] C15698 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.6 CCCCCC(=O)CBr C73149 [0,1,0,0,0,0|0,0,2]=3 27 B8R0.6 COC(=O)COCCO D84694 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.6 COC\C=C\C(=O)OC P17071 [0,1,0,0,0,0|1,0,0]=2 29 B8R0.7 COCCNCC(=O)O W16095 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.7 NCCCCCC(=O)O P19609 [0,1,0,0,0,0|1,0,2]=4 31 B8R0.7 NCCCCCC(N)=O AC6029 [0,1,0,0,0,0|1,0,2]=4 32 B8R0.7 O=C([O-])CCCCCO Y14708 [0,1,0,0,0,0|1,0,2]=4 33 B8R0.8 CCCCC(=O)[C@H](C)N C72970 [0,1,0,0,0,0|1,0,2]=4 34 B8R0.8 CCCC[C@H](N)C(N)=O C77276 [0,1,0,0,0,0|1,0,2]=4 35 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [0,1,0,0,0,0|1,0,2]=4 36 B8R0.9 CCC(C)=CCC(=O)O C75612 [0,1,0,0,0,0|1,0,2]=4 37 B8R0.9 CC[C@H](C)COC(=O)Cl AC1638 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [0,1,0,0,0,0|1,0,2]=4 39 B8R0.28 CC(=O)NCCC(C)C S10520 [0,1,0,0,0,0|1,0,1]=3 40 B8R0.28 CC(C)CNCC(=O)O W10796 [0,1,0,0,0,0|2,0,1]=4 41 B8R1.1 CC1=CC=C(CN)S1 71266 [0,0,0,1,0,0|1,1,1]=4 42 B8R1.1 CC1=CC=C(CO)S1 W10513 [0,0,0,1,0,0|1,1,1]=4 43 B8R1.1 CCC1=CC=C(C)O1 A12137 [0,0,0,1,0,0|0,0,2]=3 44 B8R1.1 NC[C@@H]1CNC(=O)C1 37317 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.1 NC[C@@H]1CNC(=O)C1 37318 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.1 NC[C@@H]1CNC(=O)C1 P15063 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [0,0,0,1,0,0|1,0,2]=4 48 B8R1.1 O=C1C[C@H](CO)CN1 P11209 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.4 CN1CCCC(=O)C1 S10664 [0,0,0,1,0,0|1,0,2]=4 50 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,0,0,1,0,0|1,0,2]=4 51 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,0,0,1,0,0|1,0,2]=4 52 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,0,0,1,0,0|1,0,2]=4 53 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,0,0,1,0,0|1,0,2]=4 54 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,0,0,1,0,0|1,0,1]=3 55 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,0,0,1,0,0|1,0,2]=4 60 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.6 CCCC1CC(=O)C1 D96728 [0,0,0,1,0,0|0,0,2]=3 64 B8R1.7 CC(=O)C1=CC=NO1 I11392 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.7 CC(=O)C1=CC=NS1 62850 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.7 CC(=O)C1=CN=CS1 66660 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.7 CC(=O)C1=CN=NS1 66662 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.7 CC(=O)C1=CNN=C1 50308 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.7 CC(=O)C1=NOC=C1 33729 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.7 CC(=O)[C@H]1CCOC1 79964 [0,0,0,1,0,0|1,0,2]=4 72 B8R1.7 CC(=O)[C@H]1NCCS1 C73779 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.7 NC(=O)N1CCCC1 32811 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.22 NC1=NCCCCC1 D85903 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.22 O=C1CCCCCN1 D94502 [0,0,0,1,0,0|1,0,1]=3 78 B8R1.22 O=C1CCCCNC1 50109 [0,0,0,1,0,0|1,0,1]=3 79 B8R1.22 O=C1CCCOCC1 P12770 [0,0,0,1,0,0|1,0,2]=4 80 B8R1.22 O=C1CCNCCN1 58405 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.22 O=C1CNCCNC1 77718 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.22 O=C1CNCCOC1 P20266 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.22 O=C1COCCCN1 71169 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.22 O=C1OCCCCO1 D93115 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O P15238 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.34 CC(=O)CC1CCC1 D79207 [0,0,0,1,0,0|0,0,2]=3 87 B8R1.34 CC(=O)CC1COC1 CS1731 [0,0,0,1,0,0|1,0,2]=4 88 B8R1.34 CC(=O)OC1CNC1 C72427 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.34 CC(=O)OC1CNC1 C76369 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.34 O=C(O)CN1CCC1 55159 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.34 O=[N+]([O-])C=C1COC1 32891 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.35 O=C(O)CNC1CC1 F14996 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.35 O=C(O)CNC1CC1 W15242 [0,0,0,1,0,0|2,0,1]=4 94 B5R0.1 CCC[C@H](C)N P14575 [2,0,0,0,0,0|1,0,1]=4 95 B5R0.1 CCC[C@H](C)N Y10887 [2,0,0,0,0,0|1,0,1]=4 96 B5R0.1 CNCC(=O)[O-] F20742 [2,0,0,0,0,0|2,0,0]=4 97 B5R0.1 C\C(I)=C/CI AC8880 [2,0,0,0,0,0|2,0,0]=4 98 B5R0.1 C\C(I)=C\CI AC3855 [2,0,0,0,0,0|2,0,0]=4 99 B5R0.1 O=C(O)\C=C\Br AC1121 [2,0,0,0,0,0|2,0,0]=4 100 B5R0.1 O=C(O)\C=C\I W15430 [2,0,0,0,0,0|2,0,0]=4 101 B5R0.2 C=CCCNC W16107 [2,0,0,0,0,0|1,0,1]=4 102 B5R0.2 O=CCCCO 55817 [2,0,0,0,0,0|1,0,1]=4 103 B7R0.2 CC[C@H](C)CC(=O)O 63986 [1,1,0,0,0,0|1,0,1]=4 104 B7R0.2 CC[C@H](C)CC(C)=O A11862 [1,1,0,0,0,0|0,0,1]=3 105 B7R0.2 CC[C@H](N)CC(=O)O 51922 [1,1,0,0,0,0|1,0,1]=4 106 B7R0.2 CC[C@H](N)CC(=O)O 52000 [1,1,0,0,0,0|1,0,1]=4 107 B7R0.2 CC[C@H](O)CC(=O)O C14017 [1,1,0,0,0,0|1,0,1]=4 108 B7R0.2 CO\C(C)=C/C(C)=O D93418 [1,1,0,0,0,0|1,0,0]=3 109 B7R0.3 C=CC(=O)NCCC AB9941 [1,1,0,0,0,0|1,0,1]=4 110 B7R0.3 CCC(=O)OCCO A11774 [1,1,0,0,0,0|2,0,0]=4 111 B7R0.3 CNCCC(=O)OC AB11809 [1,1,0,0,0,0|1,0,1]=4 112 B7R0.3 COC(=O)CCCI F19766 [1,1,0,0,0,0|1,0,1]=4 113 B7R0.3 COC(=O)\C=C\CCl AT12623 [1,1,0,0,0,0|1,0,0]=3 114 B7R0.3 COC(=O)\C=C\CN AT20770 [1,1,0,0,0,0|1,0,0]=3 115 B7R0.5 CC(=O)[C@@H](Cl)CCO 74627 [1,1,0,0,0,0|1,0,1]=4 116 B7R0.5 CCC[C@H](O)C(=O)O 77792 [1,1,0,0,0,0|1,0,1]=4 117 B7R0.6 CC(=O)NNC(C)C F19849 [1,1,0,0,0,0|2,0,0]=4 118 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [1,1,0,0,0,0|1,0,1]=4 119 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [1,1,0,0,0,0|1,0,1]=4 120 B9R0.4 CC(=O)CC(=O)NCCO A11018 [0,2,0,0,0,0|1,0,1]=4 121 B9R0.6 CCOC(=O)C(=O)C(C)=O C15077 [0,2,0,0,0,0|1,0,0]=3 122 B9R0.34 CCC[C@H](N)CC(=O)OC N15478 [0,2,0,0,0,0|0,0,2]=4 123 B9R0.34 CCC[C@H](N)CC(=O)OC N16940 [0,2,0,0,0,0|0,0,2]=4 124 B9R0.34 CCC[C@H](O)CC(=O)OC D93333 [0,2,0,0,0,0|0,0,2]=4 125 B9R0.34 CCOC(=O)NC(=O)CCl D75421 [0,2,0,0,0,0|2,0,0]=4 126 B9R0.1 COC(=O)\C=C\CN(C)C D70009 [0,2,0,0,0,0|1,0,0]=3 127 B9R0.5 CCOC(=O)\C=C\CCBr I11241 [0,2,0,0,0,0|1,0,0]=3 128 B9R0.5 CCOC(=O)\C=C\CCO W16297 [0,2,0,0,0,0|1,0,0]=3 129 B9R0.46 CCNCCCC(=O)OC 72977 [0,2,0,0,0,0|0,0,2]=4 130 B9R0.46 CCOCCOC(=O)CCl D79711 [0,2,0,0,0,0|1,0,1]=4 131 B9R0.46 COC(=O)CSCCCCl W12305 [0,2,0,0,0,0|1,0,1]=4 132 B9R0.47 C=C(C)C(=O)NCCCC AB10367 [0,2,0,0,0,0|1,0,1]=4 133 B9R0.47 C=C(C)C(=O)OCCCO A12375 [0,2,0,0,0,0|2,0,0]=4 134 B9R0.47 CCCCCC(=O)N(C)C C16028 [0,2,0,0,0,0|0,0,2]=4 135 B9R0.2 CCC\C=C/CCC(=O)O E70288 [0,2,0,0,0,0|1,0,0]=3 136 B9R0.48 CCOC(=O)\C=C\C(C)=O 71109 [0,2,0,0,0,0|0,0,1]=3 137 B9R0.55 CC(=O)CCCOC(C)=O D74850 [0,2,0,0,0,0|1,0,1]=4 138 B9R0.55 O=C(O)\C=C\CCC(=O)O S11920 [0,2,0,0,0,0|1,0,1]=4 139 B9R0.7 C=C(C)C(=O)OC[C@H](C)O D93082 [0,2,0,0,0,0|2,0,0]=4 140 B9R0.7 CC(C)CNC(=O)C(=O)O W18577 [0,2,0,0,0,0|2,0,0]=4 141 B7R1.2 CN1CCC(=O)C1 64220 [1,0,0,1,0,0|1,0,1]=4 142 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [1,0,0,1,0,0|1,0,0]=3 143 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [1,0,0,1,0,0|1,0,0]=3 144 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [1,0,0,1,0,0|1,0,1]=4 145 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [1,0,0,1,0,0|1,0,1]=4 146 B7R1.2 C[C@H]1CNC(=O)O1 90054 [1,0,0,1,0,0|2,0,0]=4 147 B7R1.2 C[C@H]1COC(=O)N1 O10180 [1,0,0,1,0,0|2,0,0]=4 148 B7R1.2 C[C@H]1COC(=O)N1 W17357 [1,0,0,1,0,0|2,0,0]=4 149 B7R1.2 C[C@H]1COC(=O)O1 D77722 [1,0,0,1,0,0|2,0,0]=4 150 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [1,0,0,1,0,0|2,0,0]=4 151 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [1,0,0,1,0,0|2,0,0]=4 152 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [1,0,0,1,0,0|2,0,0]=4 153 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [1,0,0,1,0,0|2,0,0]=4 154 B7R1.2 O=C1C=C[C@@H](O)O1 F11119 [1,0,0,1,0,0|2,0,0]=4 155 B7R1.2 O=C1C=C[C@H](Br)O1 D96050 [1,0,0,1,0,0|2,0,0]=4 156 B7R1.2 O=C1CC[C@H](O)C1 P13127 [1,0,0,1,0,0|1,0,1]=4 157 B7R1.2 O=C1C[C@H](O)CO1 12464 [1,0,0,1,0,0|2,0,0]=4 158 B7R1.3 BrC1=CCCNC1 D97153 [1,0,0,1,0,0|2,0,0]=4 159 B7R1.3 BrC1=CCOCC1 C90119 [1,0,0,1,0,0|2,0,0]=4 160 B7R1.3 CC1=CCNCC1 A11257 [1,0,0,1,0,0|2,0,0]=4 161 B7R1.3 FC1=CCNCC1 P20375 [1,0,0,1,0,0|2,0,0]=4 162 B7R1.3 N[C@@H]1C=CCCC1 D84435 [1,0,0,1,0,0|1,0,1]=4 163 B7R1.3 O=C1C=CCCN1 88830 [1,0,0,1,0,0|1,0,0]=3 164 B7R1.3 O=C1C=CCOC1 O10790 [1,0,0,1,0,0|1,0,0]=3 165 B7R1.3 O=C1CCCCS1 D95162 [1,0,0,1,0,0|1,0,0]=3 166 B7R1.3 O=C1CNCCO1 RB3226 [1,0,0,1,0,0|2,0,0]=4 167 B7R1.3 O=C1CSCCN1 23643 [1,0,0,1,0,0|2,0,0]=4 168 B7R1.10 COC1CC(=O)C1 P12741 [1,0,0,1,0,0|1,0,1]=4 169 B7R1.10 O=C1CC(CBr)C1 39031 [1,0,0,1,0,0|1,0,1]=4 170 B7R1.10 O=C1CC(CCl)C1 P11243 [1,0,0,1,0,0|1,0,1]=4 171 B7R1.10 O=C1C[C@H](CO)N1 P17668 [1,0,0,1,0,0|2,0,0]=4 172 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [1,0,0,1,0,0|1,0,1]=4 173 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [1,0,0,1,0,0|1,0,1]=4 174 B7R1.18 CC(=O)C1COC1 79962 [1,0,0,1,0,0|1,0,1]=4 175 B7R1.18 NC(=O)C1CCC1 20365 [1,0,0,1,0,0|1,0,1]=4 176 B7R1.18 O=C(O)C1=CCC1 P16818 [1,0,0,1,0,0|1,0,0]=3 177 B7R1.20 O=C(Cl)CC1CC1 P19146 [1,0,0,1,0,0|1,0,1]=4 178 B7R1.1 BrCC1=CCCC1 37275 [1,0,0,1,0,0|1,0,1]=4 179 B7R1.1 COC1=CCCC1 D93350 [1,0,0,1,0,0|1,0,0]=3 180 B7R1.1 O=CC1=CCC=C1 77835 [1,0,0,1,0,0|0,0,2]=4 181 B7R1.1 O=CC1=CCCC1 26227 [1,0,0,1,0,0|0,0,0]=2 182 B7R1.1 O=CC1=CCCO1 D79895 [1,0,0,1,0,0|1,0,0]=3 183 B7R1.4 CC1=C(C)NC=C1 F20873 [1,0,0,1,0,0|1,0,1]=4 184 B7R1.6 N#CC=C1CCC1 P11568 [1,0,0,1,0,0|1,0,1]=4 185 B7R1.6 O=CCC1CCC1 55432 [1,0,0,1,0,0|0,0,2]=4 186 B9R1.7 CC1=CC=C(CCN)S1 29986 [0,1,0,1,0,0|0,1,1]=4 187 B9R1.7 CC1=CC=C(CCO)O1 F16227 [0,1,0,1,0,0|0,0,2]=4 188 B9R1.7 CCCC1=NC(I)=CN1 W16409 [0,1,0,1,0,0|2,0,0]=4 189 B9R1.7 CCC[C@@H]1COC(=O)C1 S10720 [0,1,0,1,0,0|0,0,2]=4 190 B9R1.7 CCC[C@H]1CCC(=O)C1 A10517 [0,1,0,1,0,0|0,0,2]=4 191 B9R1.7 CCC[N+]1=CN(C)C=C1 D70791 [0,1,0,1,0,0|2,0,0]=4 192 B9R1.7 CCOC1=CC(=O)CC1 W16153 [0,1,0,1,0,0|1,0,0]=3 193 B9R1.7 CCO[C@@H]1C=CC(=O)O1 91454 [0,1,0,1,0,0|1,0,0]=3 194 B9R1.13 CC(=O)N[C@H]1CCNC1 50522 [0,1,0,1,0,0|1,0,1]=4 195 B9R1.13 CC(=O)O[C@@H]1CCCO1 D94546 [0,1,0,1,0,0|1,0,1]=4 196 B9R1.13 CC(=O)S[C@H]1CCOC1 W16075 [0,1,0,1,0,0|1,0,1]=4 197 B9R1.34 NC1CC(=O)NC(=O)C1 P17113 [0,1,0,1,0,0|2,0,0]=4 198 B9R1.41 CC(=O)C1=C(C)SC=N1 C72473 [0,1,0,1,0,0|1,0,1]=4 199 B9R1.41 CC(=O)C1=CN=CN1C W13364 [0,1,0,1,0,0|1,0,1]=4 200 B9R1.41 CC(=O)C1=CNC=C1C W17613 [0,1,0,1,0,0|0,0,2]=4 201 B9R1.41 CC(=O)C1=NC=CN1C 38319 [0,1,0,1,0,0|1,0,1]=4 202 B9R1.41 CC(=O)N1CCNC1=S D93030 [0,1,0,1,0,0|2,0,0]=4 203 B9R1.41 CC1=C(C(=O)O)CCO1 W15901 [0,1,0,1,0,0|2,0,0]=4 204 B9R1.48 C[C@H]1CC(=O)NCCN1 38322 [0,1,0,1,0,0|1,0,1]=4 205 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [0,1,0,1,0,0|1,0,1]=4 206 B9R1.48 O=C1CCCNC(=O)C1 F12567 [0,1,0,1,0,0|1,0,1]=4 207 B9R1.53 CC(=O)NC1CC(N)C1 P11362 [0,1,0,1,0,0|1,0,1]=4 208 B9R1.53 CC(=O)NC1CC(N)C1 P18507 [0,1,0,1,0,0|1,0,1]=4 209 B9R1.1 CCC1=NNC(=O)C=C1 65671 [0,1,0,1,0,0|1,0,1]=4 210 B9R1.2 CCC1=NC(C)=CN=C1 D84033 [0,1,0,1,0,0|1,0,1]=4 211 B9R1.2 CCN1CCNC(=O)C1 C76051 [0,1,0,1,0,0|1,0,1]=4 212 B9R1.2 CCN1CCNC(=O)C1 F52612 [0,1,0,1,0,0|1,0,1]=4 213 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [0,1,0,1,0,0|0,0,2]=4 214 B9R1.2 NC[C@H]1CCNC(=O)C1 37084 [0,1,0,1,0,0|1,0,1]=4 215 B9R1.2 NC[C@H]1CCNC(=O)C1 72532 [0,1,0,1,0,0|1,0,1]=4 216 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [0,1,0,1,0,0|0,0,2]=4 217 B9R1.2 O=C1C[C@@H](CO)CCN1 37567 [0,1,0,1,0,0|1,0,1]=4 218 B9R1.5 CN1CCCNCC1=O 37932 [0,1,0,1,0,0|1,0,1]=4 219 B9R1.5 CN1CCCNCC1=O Y10016 [0,1,0,1,0,0|1,0,1]=4 220 B9R1.5 N[C@H]1CCCCNC1=O A56020 [0,1,0,1,0,0|1,0,1]=4 221 B9R1.5 O=C1CNCCC[C@@H]1F 72994 [0,1,0,1,0,0|1,0,1]=4 222 B9R1.11 CNC(=O)[C@@H]1CCCN1 C13792 [0,1,0,1,0,0|1,0,1]=4 223 B9R1.11 COC(=O)C1=CCSC1 T71209 [0,1,0,1,0,0|1,0,0]=3 224 B9R1.11 COC(=O)[C@@H]1CCCN1 D82335 [0,1,0,1,0,0|1,0,1]=4 225 B9R1.11 NCC(=O)N1CCCC1 W18110 [0,1,0,1,0,0|1,0,1]=4 226 B9R1.11 O=C(CBr)C1CCCC1 P20314 [0,1,0,1,0,0|0,0,2]=4 227 B9R1.11 O=C(CO)N1CCCC1 W15877 [0,1,0,1,0,0|1,0,1]=4 228 B9R1.49 O=C1CCC[C@H](O)CN1 N10631 [0,1,0,1,0,0|1,0,1]=4 229 B9R1.50 O=C1CNCCCNC1 77720 [0,1,0,1,0,0|1,0,1]=4 230 B9R1.50 O=C1NCCCCCN1 W17640 [0,1,0,1,0,0|1,0,1]=4 231 B9R1.50 O[C@@H]1C=CCCCCC1 AT23384 [0,1,0,1,0,0|0,0,2]=4 232 B9R1.79 COC(=O)CC1CCC1 20777 [0,1,0,1,0,0|0,0,2]=4 233 B9R1.79 O=C(CBr)CC1CCC1 D79065 [0,1,0,1,0,0|0,0,2]=4 234 B9R1.80 COC(=O)C#CC1CC1 W15222 [0,1,0,1,0,0|0,0,2]=4 235 B9R1.80 COC(=O)\C=C\C1CC1 89072 [0,1,0,1,0,0|0,0,0]=2 236 B9R1.6 CC(=O)[C@@H]1CNCCO1 90399 [0,1,0,1,0,0|1,0,1]=4 237 B9R1.6 O=C(O)C1=CCNCC1 30668 [0,1,0,1,0,0|1,0,0]=3 238 B9R1.84 O=C(O)\C=C\C1CCC1 F53092 [0,1,0,1,0,0|1,0,0]=3 239 B9R1.23 CCN1C=C(N)C(C)=N1 D79752 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.35 CC(=O)C1=CNC(C)=C1 C75858 [0,1,0,1,0,0|1,0,1]=4 241 B9R1.35 CC(=O)C1=CSC(C)=N1 A12305 [0,1,0,1,0,0|1,0,1]=4 242 B9R1.35 CC(=O)C1=NN(C)C=C1 P10302 [0,1,0,1,0,0|1,0,1]=4 243 B9R1.35 CC(=O)N1CC[C@H](N)C1 AT25019 [0,1,0,1,0,0|1,0,1]=4 244 B9R1.69 CC1CC(=O)CCC1O Y10041 [0,1,0,1,0,0|0,0,2]=4 245 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [0,1,0,1,0,0|0,0,2]=4 246 B9R1.112 O=C(O)C(=O)NC1CC1 W11568 [0,1,0,1,0,0|2,0,0]=4 247 B9R1.163 CC(=O)C1(O)CCCC1 AB1008 [0,1,0,1,0,0|0,0,2]=4 248 B9R2.139 O=C1CC2(CC2)CO1 P17493 [0,0,0,2,0,0|1,0,1]=4 249 B9R2.109 O=C1CCCC2CC12 P10813 [0,0,0,2,0,0|0,0,2]=4 250 B9R2.41 O=C1CC(C2CC2)C1 33761 [0,0,0,2,0,0|0,0,2]=4 251 B9R2.138 O=C1CC2(CCC2)C1 70842 [0,0,0,2,0,0|0,0,2]=4