0 B8R0.7 C#CCOCCC(=O)O 78672 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.7 CN(C)CCCCCN AC2504 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.7 CN(C)CCOCCO D77714 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.7 COCCNCC(=O)O W16095 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.7 NCCCCCC(=O)O P19609 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.7 NCCCCCC(N)=O AC6029 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.7 O=C([O-])CCCCCO Y14708 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.1 C=CCCCCNC R10008 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.1 CCCNCCCO AB4057 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.1 CNCCOCCO C70229 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.1 COCCOCCI AT13077 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.1 COCOCCC=O 32199 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.1 FCCCCCCBr A50948 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.1 NCCCCCCBr D83295 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.1 NCCCCCCS F31196 [1,0,0,0,0,0|1,1,1]=4 15 B7R0.4 CC(=O)CCCCBr O11558 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.4 CC(=O)OCCCBr C75766 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.4 CC(C)CCCCBr C74820 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.4 CCCNCC(C)C AC1640 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.4 CCCOCC(=O)O AC1647 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.4 CCNCCC(N)=O AT24732 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.4 CN(C)CCCCCl W16936 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.4 CNCCCC(N)=O 21232 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.4 COCCCC(=O)O 78063 [1,0,0,0,0,0|2,0,0]=3 24 B7R0.4 C[C@H](Cl)CCCCCl A12620 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.4 NCCNCC(=O)O FD21628 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.4 O=C([O-])COCCO A11454 [1,0,0,0,0,0|3,0,0]=4 27 B9R0.1 CC(C)CCC[C@H](C)CO A11755 [0,1,0,0,0,0|2,0,1]=4 28 B9R0.2 C#CCCCCCC(=O)O AT11953 [0,1,0,0,0,0|1,0,1]=3 29 B9R0.2 C=CCCCCCC(=O)O I11997 [0,1,0,0,0,0|1,0,1]=3 30 B9R0.2 C=CCOCCCC(=O)O W18610 [0,1,0,0,0,0|1,0,2]=4 31 B9R0.2 CCCCCCCC(=O)[O-] F12023 [0,1,0,0,0,0|1,0,0]=2 32 B9R0.2 CCC\C=C/CCC(=O)O E70288 [0,1,0,0,0,0|1,0,1]=3 33 B9R0.2 COCCOCCC(=O)O C70448 [0,1,0,0,0,0|2,0,0]=3 34 B9R0.2 C[S@](=O)CCCCN=C=S 42585 [0,1,0,0,0,0|2,0,1]=4 35 B9R0.2 O=C(O)CNCCCCO 72467 [0,1,0,0,0,0|2,0,0]=3 36 B9R0.4 CC(=O)CC(=O)NCCO A11018 [0,1,0,0,0,0|2,0,1]=4 37 B9R0.4 CCCC[C@H](C)OC(=O)Cl S11041 [0,1,0,0,0,0|2,0,0]=3 38 B9R0.4 CSCC[C@H](N)CC(=O)O F12355 [0,1,0,0,0,0|2,0,0]=3 39 B9R0.4 CSCC[C@H](N)CC(=O)O FD10029 [0,1,0,0,0,0|2,0,0]=3 40 B9R0.4 CSCC[C@H](N)CC(=O)O FD10030 [0,1,0,0,0,0|2,0,0]=3 41 B9R0.38 NCCCCCS(=O)(=O)O D93036 [0,1,0,0,0,0|3,0,0]=4 42 B9R0.46 C=CC(=O)NCCCCO C75218 [0,1,0,0,0,0|2,0,1]=4 43 B9R0.46 CCCCCC[C@H](O)CBr D93070 [0,1,0,0,0,0|0,0,2]=3 44 B9R0.46 CCNCCCC(=O)OC 72977 [0,1,0,0,0,0|1,0,0]=2 45 B9R0.46 CCOCCOC(=O)CCl D79711 [0,1,0,0,0,0|2,0,0]=3 46 B9R0.46 COC(=O)CSCCCCl W12305 [0,1,0,0,0,0|2,0,0]=3 47 B9R0.47 C=C(C)C(=O)NCCCC AB10367 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.47 C=CCCC[C@H](N)C(=O)O F15996 [0,1,0,0,0,0|1,0,2]=4 49 B9R0.47 CCCCCC(=O)N(C)C C16028 [0,1,0,0,0,0|2,0,1]=4 50 B9R0.47 CCCCC[C@H](N)C(=O)O C10639 [0,1,0,0,0,0|1,0,0]=2 51 B9R0.47 CCCCC[C@H](N)C(=O)O C75217 [0,1,0,0,0,0|1,0,0]=2 52 B9R0.47 CCSCC[C@H](N)C(=O)O A12005 [0,1,0,0,0,0|2,0,0]=3 53 B9R0.47 NCCCC[C@H](N)C(=O)O F10821 [0,1,0,0,0,0|2,0,0]=3 54 B9R0.47 NCCSC[C@H](N)C(=O)O FD21310 [0,1,0,0,0,0|3,0,0]=4 55 B9R0.47 N[C@@H](CSCCO)C(=O)O AB10207 [0,1,0,0,0,0|3,0,0]=4 56 B9R0.48 C=C(C)CCC(=O)OCC A11234 [0,1,0,0,0,0|2,0,1]=4 57 B9R0.55 CC(=O)CCCOC(C)=O D74850 [0,1,0,0,0,0|1,0,1]=3 58 B9R0.55 CC(C)CCCCC(=O)O D95053 [0,1,0,0,0,0|1,0,0]=2 59 B9R1.2 CCC1=CC(=O)CCC1 A10067 [0,0,0,1,0,0|0,0,2]=3 60 B9R1.2 CCN1CCNC(=O)C1 C76051 [0,0,0,1,0,0|2,0,0]=3 61 B9R1.2 CCN1CCNC(=O)C1 F52612 [0,0,0,1,0,0|2,0,0]=3 62 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [0,0,0,1,0,0|1,0,0]=2 63 B9R1.2 CC[C@H]1CN(C)CCN1 P20253 [0,0,0,1,0,0|3,0,0]=4 64 B9R1.2 CC[C@H]1CN(C)CCN1 P20610 [0,0,0,1,0,0|3,0,0]=4 65 B9R1.2 CC[C@H]1CNCC(=O)N1 D97274 [0,0,0,1,0,0|2,0,0]=3 66 B9R1.2 CN1CCC[C@H](CN)C1 37194 [0,0,0,1,0,0|3,0,0]=4 67 B9R1.2 CN1CCC[C@H](CN)C1 P11114 [0,0,0,1,0,0|3,0,0]=4 68 B9R1.2 CO[C@H]1CCC[C@@H](N)C1 D96541 [0,0,0,1,0,0|2,0,1]=4 69 B9R1.2 N#C[C@H]1CCCC(=O)C1 C73416 [0,0,0,1,0,0|1,0,1]=3 70 B9R1.2 N#C[C@H]1CCNC(=O)C1 W16380 [0,0,0,1,0,0|2,0,1]=4 71 B9R1.2 NC[C@H]1CCNC(=O)C1 37084 [0,0,0,1,0,0|2,0,0]=3 72 B9R1.2 NC[C@H]1CCNC(=O)C1 72532 [0,0,0,1,0,0|2,0,0]=3 73 B9R1.2 N[C@H]1CCC[C@H](CO)C1 D79005 [0,0,0,1,0,0|2,0,1]=4 74 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [0,0,0,1,0,0|1,0,0]=2 75 B9R1.2 O=C1CCC[C@H](CO)N1 Y14667 [0,0,0,1,0,0|2,0,0]=3 76 B9R1.2 O=C1COC[C@H](CO)N1 O11304 [0,0,0,1,0,0|3,0,0]=4 77 B9R1.2 O=C1C[C@@H](CO)CCN1 37567 [0,0,0,1,0,0|2,0,0]=3 78 B9R1.6 CC(=O)[C@@H]1CNCCO1 90399 [0,0,0,1,0,0|2,0,0]=3 79 B9R1.6 CC(C)C1CCNCC1 T72018 [0,0,0,1,0,0|2,0,1]=4 80 B9R1.6 CN(C)[C@H]1CCCNC1 P19624 [0,0,0,1,0,0|3,0,0]=4 81 B9R1.6 CN(C)[C@H]1CCCNC1 S11097 [0,0,0,1,0,0|3,0,0]=4 82 B9R1.6 C[C@H](N)C1CCCCC1 N11990 [0,0,0,1,0,0|1,0,1]=3 83 B9R1.6 C[C@H](N)C1CCOCC1 52485 [0,0,0,1,0,0|2,0,1]=4 84 B9R1.6 C[C@H](N)C1CCOCC1 52508 [0,0,0,1,0,0|2,0,1]=4 85 B9R1.6 C[C@H](N)C1CCOCC1 53162 [0,0,0,1,0,0|2,0,1]=4 86 B9R1.6 C[C@H](O)C1CCNCC1 50851 [0,0,0,1,0,0|1,0,2]=4 87 B9R1.6 C[C@H](O)C1CCOCC1 72533 [0,0,0,1,0,0|1,0,2]=4 88 B9R1.6 C[C@H](O)C1CCOCC1 D96636 [0,0,0,1,0,0|1,0,2]=4 89 B9R1.6 N=C(N)C1CCOCC1 38314 [0,0,0,1,0,0|3,0,0]=4 90 B9R1.6 N=C(N)C1CCOCC1 P11933 [0,0,0,1,0,0|3,0,0]=4 91 B9R1.6 N=C(N)N1CCCCC1 W16161 [0,0,0,1,0,0|3,0,0]=4 92 B9R1.6 NC(=O)C1CCNCC1 C75011 [0,0,0,1,0,0|2,0,0]=3 93 B9R1.6 NC(=O)[C@H]1CCCNC1 37191 [0,0,0,1,0,0|2,0,0]=3 94 B9R1.6 NC(=O)[C@H]1CCCNC1 64553 [0,0,0,1,0,0|2,0,0]=3 95 B9R1.6 NC(=O)[C@H]1CCCNC1 69862 [0,0,0,1,0,0|2,0,0]=3 96 B9R1.6 O=C(O)C1CCSCC1 24425 [0,0,0,1,0,0|2,0,0]=3 97 B9R1.6 O=C(O)C1SCCCS1 W18220 [0,0,0,1,0,0|3,0,0]=4 98 B9R1.6 O=C(O)[C@@H]1CCCCO1 P15808 [0,0,0,1,0,0|2,0,0]=3 99 B9R1.6 O=C(O)[C@@H]1CCCCO1 P16420 [0,0,0,1,0,0|2,0,0]=3 100 B9R1.6 O=C(O)[C@@H]1CNCCN1 P16892 [0,0,0,1,0,0|3,0,0]=4 101 B9R1.6 O=C(O)[C@@H]1CNCCO1 77638 [0,0,0,1,0,0|3,0,0]=4 102 B9R1.6 O=C(O)[C@@H]1CNCCO1 F18966 [0,0,0,1,0,0|3,0,0]=4 103 B9R1.6 O=C(O)[C@@H]1CNCCO1 F19034 [0,0,0,1,0,0|3,0,0]=4 104 B9R1.6 O=C(O)[C@@H]1CNCCS1 F52105 [0,0,0,1,0,0|3,0,0]=4 105 B9R1.6 O=C(O)[C@@H]1COCCN1 24948 [0,0,0,1,0,0|3,0,0]=4 106 B9R1.6 O=C(O)[C@@H]1COCCN1 70235 [0,0,0,1,0,0|3,0,0]=4 107 B9R1.6 O=C(O)[C@@H]1COCCN1 70713 [0,0,0,1,0,0|3,0,0]=4 108 B9R1.6 O=C(O)[C@@H]1COCCO1 F31034 [0,0,0,1,0,0|3,0,0]=4 109 B9R1.6 O=C(O)[C@@H]1COCCO1 F31049 [0,0,0,1,0,0|3,0,0]=4 110 B9R1.6 O=C(O)[C@@H]1CSCCN1 66696 [0,0,0,1,0,0|3,0,0]=4 111 B9R1.6 O=C(O)[C@@H]1CSCCN1 77693 [0,0,0,1,0,0|3,0,0]=4 112 B9R1.6 O=C(O)[C@H]1CCCSC1 37673 [0,0,0,1,0,0|2,0,0]=3 113 B9R1.6 O=C(O)[C@H]1NCCCS1 C76501 [0,0,0,1,0,0|3,0,0]=4 114 B9R1.6 O=[N+]([O-])C1CCNCC1 P21112 [0,0,0,1,0,0|3,0,0]=4 115 B9R1.7 CCC[C@@H]1COC(=O)C1 S10720 [0,0,0,1,0,0|1,0,0]=2 116 B9R1.7 CCC[C@H]1CCC(=O)C1 A10517 [0,0,0,1,0,0|0,0,0]=1 117 B9R1.7 CCN[C@H]1CCN(C)C1 38278 [0,0,0,1,0,0|3,0,0]=4 118 B9R1.7 CCOC1=CC(=O)CC1 W16153 [0,0,0,1,0,0|1,0,2]=4 119 B9R1.7 CN1CC[C@H](CCN)C1 37308 [0,0,0,1,0,0|3,0,0]=4 120 B9R1.7 CN1CC[C@H](CCO)C1 37198 [0,0,0,1,0,0|3,0,0]=4 121 B9R1.13 CC(=O)N[C@H]1CCNC1 50522 [0,0,0,1,0,0|2,0,0]=3 122 B9R1.13 CC(=O)O[C@@H]1CCCO1 D94546 [0,0,0,1,0,0|2,0,0]=3 123 B9R1.13 CC(=O)S[C@H]1CCOC1 W16075 [0,0,0,1,0,0|2,0,0]=3 124 B9R1.13 CN(C)C[C@H]1CCCN1 C78068 [0,0,0,1,0,0|3,0,0]=4 125 B9R1.13 CN(C)C[C@H]1CCCN1 P10914 [0,0,0,1,0,0|3,0,0]=4 126 B9R1.13 CN(C)C[C@H]1CCCN1 P12523 [0,0,0,1,0,0|3,0,0]=4 127 B9R1.13 CN(C)C[C@H]1CCCN1 P14326 [0,0,0,1,0,0|3,0,0]=4 128 B9R1.13 CN(C)C[C@H]1CCCO1 70867 [0,0,0,1,0,0|3,0,0]=4 129 B9R1.13 CN(C)C[C@H]1CCNC1 P17783 [0,0,0,1,0,0|3,0,0]=4 130 B9R1.13 CN(C)C[C@H]1CCNC1 P17784 [0,0,0,1,0,0|3,0,0]=4 131 B9R1.13 NC(=O)NC1CCCC1 W17339 [0,0,0,1,0,0|2,0,0]=3 132 B9R1.13 NC(=S)NC1CCCC1 D85797 [0,0,0,1,0,0|2,1,0]=4 133 B9R1.13 O=C(O)C[C@H]1CCCN1 70865 [0,0,0,1,0,0|2,0,0]=3 134 B9R1.13 O=C(O)C[C@H]1CCCN1 F11179 [0,0,0,1,0,0|2,0,0]=3 135 B9R1.13 O=C(O)C[C@H]1CCCN1 F12356 [0,0,0,1,0,0|2,0,0]=3 136 B9R1.13 O=C(O)C[C@H]1CCCN1 P10210 [0,0,0,1,0,0|2,0,0]=3 137 B9R1.13 O=C(O)C[C@H]1CCNC1 50100 [0,0,0,1,0,0|2,0,0]=3 138 B9R1.13 O=C(O)C[C@H]1CCNC1 P10779 [0,0,0,1,0,0|2,0,0]=3 139 B9R1.13 O=C(O)C[C@H]1CCOC1 68888 [0,0,0,1,0,0|2,0,0]=3 140 B9R1.13 O=C(O)C[C@H]1CCOC1 68890 [0,0,0,1,0,0|2,0,0]=3 141 B9R1.41 CN1CCC[C@H]1C(=O)O C74581 [0,0,0,1,0,0|2,0,0]=3 142 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N D81146 [0,0,0,1,0,0|2,0,0]=3 143 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C74853 [0,0,0,1,0,0|2,0,0]=3 144 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C76009 [0,0,0,1,0,0|2,0,0]=3 145 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O F19718 [0,0,0,1,0,0|2,0,0]=3 146 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13996 [0,0,0,1,0,0|2,0,0]=3 147 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O C10521 [0,0,0,1,0,0|2,0,0]=3 148 B9R1.41 O=C(O)C1CNCC1O 73173 [0,0,0,1,0,0|3,0,0]=4 149 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O 35596 [0,0,0,1,0,0|3,0,0]=4 150 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O 89327 [0,0,0,1,0,0|3,0,0]=4 151 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P14663 [0,0,0,1,0,0|3,0,0]=4 152 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P15465 [0,0,0,1,0,0|3,0,0]=4 153 B9R1.48 C[C@H]1CC(=O)NCCN1 38322 [0,0,0,1,0,0|2,0,0]=3 154 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [0,0,0,1,0,0|1,0,0]=2 155 B9R1.48 O=C1CCCNC(=O)C1 F12567 [0,0,0,1,0,0|2,0,1]=4 156 B9R1.50 O=C1CNCCCNC1 77720 [0,0,0,1,0,0|2,0,0]=3 157 B9R1.50 O=C1NCCCCCN1 W17640 [0,0,0,1,0,0|2,0,0]=3 158 B9R1.59 CCOC1CC1C(=O)O C77470 [0,0,0,1,0,0|2,0,0]=3 159 B9R1.67 CC(=O)O[C@H]1CCC1=O P20079 [0,0,0,1,0,0|2,0,1]=4 160 B9R1.84 O=C(O)CCC1CCC1 86885 [0,0,0,1,0,0|1,0,0]=2 161 B9R1.84 O=C(O)COC1CCC1 27934 [0,0,0,1,0,0|2,0,0]=3 162 B9R1.84 O=C(O)COC1CNC1 P19012 [0,0,0,1,0,0|3,0,0]=4 163 B9R1.84 O=C(O)\C=C\C1CCC1 F53092 [0,0,0,1,0,0|1,0,2]=4 164 B9R1.84 O=C([O-])CCN1CCC1 F50895 [0,0,0,1,0,0|2,0,0]=3 165 B9R1.86 CCC1CC1CC(=O)O D79896 [0,0,0,1,0,0|1,0,0]=2 166 B9R1.96 CCN1CC[C@H]1C(=O)O P15973 [0,0,0,1,0,0|2,0,0]=3 167 B9R1.96 N#CC1CCC1C(=O)O P15990 [0,0,0,1,0,0|2,0,1]=4 168 B9R1.148 CC1(C)CCCNCC1 W15420 [0,0,0,1,0,0|2,0,1]=4 169 B9R1.148 O=S1(=O)CCCNCC1 W16418 [0,0,0,1,0,0|3,0,0]=4 170 B6R0.6 CCOCCCBr A11082 [2,0,0,0,0,0|2,0,0]=4 171 B6R0.6 CNCCCCBr C74879 [2,0,0,0,0,0|2,0,0]=4 172 B6R0.6 CNCCCCN D80538 [2,0,0,0,0,0|2,0,0]=4 173 B6R0.6 NCCCCCBr 97997 [2,0,0,0,0,0|2,0,0]=4 174 B6R0.6 OCCCCCO D77911 [2,0,0,0,0,0|1,0,1]=4 175 B6R0.4 C=C(C)CCCBr 71968 [2,0,0,0,0,0|2,0,0]=4 176 B6R0.4 CC(=O)CCC=O P17049 [2,0,0,0,0,0|1,0,1]=4 177 B6R0.4 CC(=O)CCCBr 25631 [2,0,0,0,0,0|1,0,0]=3 178 B6R0.4 CC(=O)OCCN W11955 [2,0,0,0,0,0|2,0,0]=4 179 B6R0.4 CCOCC(=O)O D73862 [2,0,0,0,0,0|2,0,0]=4 180 B6R0.4 NCCCC(N)=O C72206 [2,0,0,0,0,0|2,0,0]=4 181 B8R0.1 CCCC[C@H](C)CCO D93301 [1,1,0,0,0,0|0,0,2]=4 182 B8R0.1 CCC[C@H](C)CCCO A12859 [1,1,0,0,0,0|0,0,2]=4 183 B8R0.1 CCOC(=O)CCC=O AB9300 [1,1,0,0,0,0|1,0,1]=4 184 B8R0.4 C=CCCCCCC=O N11873 [1,1,0,0,0,0|0,0,1]=3 185 B8R0.4 C=CCCCCCCI W11175 [1,1,0,0,0,0|0,0,1]=3 186 B8R0.4 COCCCCCCBr S10679 [1,1,0,0,0,0|1,0,0]=3 187 B8R0.4 COCCOCCOC D72523 [1,1,0,0,0,0|2,0,0]=4 188 B8R0.5 CCCC(=O)CC(C)=O 79568 [1,1,0,0,0,0|0,0,1]=3 189 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [1,1,0,0,0,0|0,0,0]=2 190 B8R0.5 CCC[C@H](C)CC(C)C F17729 [1,1,0,0,0,0|1,0,1]=4 191 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [1,1,0,0,0,0|1,0,0]=3 192 B8R0.8 CCCC[C@H](N)C(N)=O C77276 [1,1,0,0,0,0|1,0,0]=3 193 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [1,1,0,0,0,0|1,0,0]=3 194 B8R0.8 C[Se]CC[C@H](N)C(=O)O F20529 [1,1,0,0,0,0|2,0,0]=4 195 B8R0.9 CC[C@H](C)COC(=O)Cl AC1638 [1,1,0,0,0,0|2,0,0]=4 196 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [1,1,0,0,0,0|1,0,0]=3 197 B8R0.9 NC[C@@H](N)CCC(=O)O AT25325 [1,1,0,0,0,0|2,0,0]=4 198 B8R0.21 CCCCCS(N)(=O)=O P18656 [1,1,0,0,0,0|2,0,0]=4 199 B8R0.28 CC(=O)NCCC(C)C S10520 [1,1,0,0,0,0|1,0,0]=3 200 B8R0.28 CC(C)CNCC(=O)O W10796 [1,1,0,0,0,0|2,0,0]=4 201 B10R0.3 C=C(C)CCCC(=O)OCC C75004 [0,2,0,0,0,0|1,0,1]=4 202 B10R0.4 C=CCCCCCC[C@H](C)O W11241 [0,2,0,0,0,0|0,0,2]=4 203 B10R0.4 CC(=O)NCCCCCCN D93510 [0,2,0,0,0,0|0,0,0]=2 204 B10R0.4 O=C(O)CCCCCCCO S10749 [0,2,0,0,0,0|1,0,0]=3 205 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10061 [0,2,0,0,0,0|1,0,0]=3 206 B10R0.22 CCCCCCOC(C)(C)C D93010 [0,2,0,0,0,0|1,0,1]=4 207 B10R0.22 NCCCCCCS(=O)(=O)O S11941 [0,2,0,0,0,0|2,0,0]=4 208 B10R0.55 COC(=O)CCCCC(C)=O F16317 [0,2,0,0,0,0|0,0,1]=3 209 B10R0.74 NCC(=O)NCCCCCBr D84097 [0,2,0,0,0,0|1,0,0]=3 210 B10R0.75 CCCCCC[C@H](C)C(=O)Cl 13028 [0,2,0,0,0,0|0,0,1]=3 211 B10R0.78 CCCCC(=O)NCC(=O)O 81427 [0,2,0,0,0,0|1,0,1]=4 212 B10R0.78 CCCNC(=O)CCC(=O)O W18569 [0,2,0,0,0,0|1,0,1]=4 213 B10R0.18 COCCC(=O)CC(=O)OC T72723 [0,2,0,0,0,0|1,0,1]=4 214 B10R0.87 CCCC[C@H](CC)CC(=O)O A10554 [0,2,0,0,0,0|1,0,0]=3 215 B10R0.87 CCCC[C@H](CC)OC(C)=O 73884 [0,2,0,0,0,0|1,0,0]=3 216 B10R0.122 CC(=O)OC(C)(C)CCCO 21251 [0,2,0,0,0,0|2,0,0]=4 217 B10R0.1 CCCC(=O)OCCCSC 73858 [0,2,0,0,0,0|2,0,0]=4 218 B10R0.1 CCCCNCC(=O)OCC AB3730 [0,2,0,0,0,0|1,0,0]=3 219 B10R0.108 CCOC(=O)CCC(=O)CBr 79134 [0,2,0,0,0,0|1,0,1]=4 220 B8R1.2 BrC[C@H]1CCCNC1 AC3913 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.2 BrC[C@H]1CCCOC1 38662 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.2 CCC1CCNCC1 W10090 [1,0,0,1,0,0|1,0,1]=4 223 B8R1.2 CC[C@H]1CCCCN1 Y10457 [1,0,0,1,0,0|1,0,1]=4 224 B8R1.2 CC[C@H]1CNCCN1 28366 [1,0,0,1,0,0|2,0,0]=4 225 B8R1.2 CC[C@H]1CNCCN1 I11833 [1,0,0,1,0,0|2,0,0]=4 226 B8R1.2 CC[C@H]1COCCN1 F17630 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.2 CC[C@H]1COCCN1 FD6008 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.2 CNC1CCNCC1 Y10435 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.2 CNC1CCSCC1 D93432 [1,0,0,1,0,0|2,0,0]=4 230 B8R1.2 FC[C@H]1CCCNC1 24250 [1,0,0,1,0,0|2,0,0]=4 231 B8R1.2 ICC1CCCCC1 AC1131 [1,0,0,1,0,0|1,0,1]=4 232 B8R1.2 IC[C@H]1CCCOC1 P20725 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.2 NC[C@H]1CCCOC1 SC1491 [1,0,0,1,0,0|2,0,0]=4 234 B8R1.2 O=CN1CCCCC1 D77795 [1,0,0,1,0,0|1,0,0]=3 235 B8R1.2 O=C[C@@H]1CCCCN1 62054 [1,0,0,1,0,0|1,0,0]=3 236 B8R1.2 O=C[C@@H]1CCCCO1 79885 [1,0,0,1,0,0|1,0,0]=3 237 B8R1.2 O=C[C@@H]1COCCO1 D78647 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.2 O=C[C@H]1CCCOC1 79874 [1,0,0,1,0,0|1,0,0]=3 239 B8R1.2 OC[C@H]1CCCNC1 36372 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.2 OC[C@H]1CCCNC1 F14592 [1,0,0,1,0,0|2,0,0]=4 241 B8R1.2 OC[C@H]1CCCNC1 H10949 [1,0,0,1,0,0|2,0,0]=4 242 B8R1.2 OC[C@H]1CCCOC1 38674 [1,0,0,1,0,0|2,0,0]=4 243 B8R1.5 C=C1CCCC[C@@H]1O D94315 [1,0,0,1,0,0|1,0,1]=4 244 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [1,0,0,1,0,0|1,0,1]=4 245 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [1,0,0,1,0,0|1,0,1]=4 246 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [1,0,0,1,0,0|2,0,0]=4 247 B8R1.5 C[C@H]1CCCCC1=O D77719 [1,0,0,1,0,0|0,0,0]=2 248 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [1,0,0,1,0,0|1,0,1]=4 249 B8R1.5 C[C@H]1CCCOC1=O AB4082 [1,0,0,1,0,0|1,0,0]=3 250 B8R1.5 C[C@H]1CNCCN1C 37822 [1,0,0,1,0,0|2,0,0]=4 251 B8R1.5 C[C@H]1CNCCN1C P11245 [1,0,0,1,0,0|2,0,0]=4 252 B8R1.5 C[C@H]1CNCCN1C Y10614 [1,0,0,1,0,0|2,0,0]=4 253 B8R1.5 C[C@H]1COCCC1=O 27832 [1,0,0,1,0,0|1,0,0]=3 254 B8R1.5 C[C@H]1CSCCC1=O 70869 [1,0,0,1,0,0|1,0,0]=3 255 B8R1.5 NN1CCCCC1=O C74639 [1,0,0,1,0,0|2,0,0]=4 256 B8R1.5 N[C@H]1CCCCC1=O C16242 [1,0,0,1,0,0|1,0,0]=3 257 B8R1.5 N[C@H]1CCCNC1=O 11355 [1,0,0,1,0,0|2,0,0]=4 258 B8R1.5 N[C@H]1CCCNC1=O 51546 [1,0,0,1,0,0|2,0,0]=4 259 B8R1.5 O=C1CCOC[C@@H]1Br RB3241 [1,0,0,1,0,0|2,0,0]=4 260 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [1,0,0,1,0,0|2,0,0]=4 261 B8R1.5 O=C1NCCC[C@@H]1O 27231 [1,0,0,1,0,0|2,0,0]=4 262 B8R1.5 O=C1OCCC[C@@H]1O 27422 [1,0,0,1,0,0|2,0,0]=4 263 B8R1.8 BrCCC1CCCC1 C78009 [1,0,0,1,0,0|1,0,1]=4 264 B8R1.8 C=CC[C@H]1CCCN1 N16954 [1,0,0,1,0,0|1,0,1]=4 265 B8R1.8 CCN[C@H]1CCNC1 T72394 [1,0,0,1,0,0|2,0,0]=4 266 B8R1.8 CCN[C@H]1CCOC1 F14260 [1,0,0,1,0,0|2,0,0]=4 267 B8R1.8 CCO[C@H]1CCNC1 P10149 [1,0,0,1,0,0|2,0,0]=4 268 B8R1.8 CNC[C@H]1CCCN1 P18036 [1,0,0,1,0,0|2,0,0]=4 269 B8R1.8 COC[C@H]1CCCN1 11152 [1,0,0,1,0,0|2,0,0]=4 270 B8R1.8 COC[C@H]1CCCN1 11153 [1,0,0,1,0,0|2,0,0]=4 271 B8R1.8 COC[C@H]1CCCN1 71289 [1,0,0,1,0,0|2,0,0]=4 272 B8R1.8 COC[C@H]1CCNC1 72010 [1,0,0,1,0,0|2,0,0]=4 273 B8R1.8 COC[C@H]1CCNC1 P10622 [1,0,0,1,0,0|2,0,0]=4 274 B8R1.8 COC[C@H]1CCNC1 P12588 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.8 COC[C@H]1CCNC1 P15249 [1,0,0,1,0,0|2,0,0]=4 276 B8R1.8 COC[C@H]1CCNC1 P15255 [1,0,0,1,0,0|2,0,0]=4 277 B8R1.8 ClCCC1CCCC1 AC1057 [1,0,0,1,0,0|1,0,1]=4 278 B8R1.8 NNCC1CCCC1 P11240 [1,0,0,1,0,0|2,0,0]=4 279 B8R1.8 O=CCC1CCCC1 F11683 [1,0,0,1,0,0|0,0,0]=2 280 B8R1.10 CCOCC1CNC1 D84845 [1,0,0,1,0,0|2,0,0]=4 281 B8R1.10 OCCCC1COC1 89590 [1,0,0,1,0,0|2,0,0]=4 282 B8R1.11 CN1CCC[C@@H]1CBr N13118 [1,0,0,1,0,0|2,0,0]=4 283 B8R1.11 CN1CCC[C@@H]1CCl D83790 [1,0,0,1,0,0|2,0,0]=4 284 B8R1.11 CN1CCC[C@@H]1CN 39178 [1,0,0,1,0,0|2,0,0]=4 285 B8R1.11 CN[C@@H]1CCC[C@@H]1O D96687 [1,0,0,1,0,0|2,0,0]=4 286 B8R1.11 CN[C@@H]1CCC[C@@H]1O D97032 [1,0,0,1,0,0|2,0,0]=4 287 B8R1.11 CN[C@H]1CCC[C@@H]1O D97028 [1,0,0,1,0,0|2,0,0]=4 288 B8R1.11 NC[C@H]1CCCC1=O 33703 [1,0,0,1,0,0|1,0,0]=3 289 B8R1.11 O=C1CCC[C@@H]1CO C73905 [1,0,0,1,0,0|1,0,0]=3 290 B8R1.11 O=C1NCC[C@@H]1CO P12214 [1,0,0,1,0,0|2,0,0]=4 291 B8R1.22 BrC1CCCCCC1 F53566 [1,0,0,1,0,0|1,0,1]=4 292 B8R1.22 CC1CNCCNC1 70848 [1,0,0,1,0,0|2,0,0]=4 293 B8R1.22 C[C@H]1CCCCCN1 D79537 [1,0,0,1,0,0|1,0,1]=4 294 B8R1.22 C[C@H]1CCCCCN1 D79538 [1,0,0,1,0,0|1,0,1]=4 295 B8R1.22 C[C@H]1CCCCCN1 W10101 [1,0,0,1,0,0|1,0,1]=4 296 B8R1.22 C[C@H]1CCCCNC1 72971 [1,0,0,1,0,0|1,0,0]=3 297 B8R1.22 C[C@H]1CNCCCO1 72856 [1,0,0,1,0,0|2,0,0]=4 298 B8R1.22 C[C@H]1CNCCOC1 73160 [1,0,0,1,0,0|2,0,0]=4 299 B8R1.22 NC1=NCCCCC1 D85903 [1,0,0,1,0,0|2,0,0]=4 300 B8R1.22 O=C1CCCCCN1 D94502 [1,0,0,1,0,0|1,0,0]=3 301 B8R1.22 O=C1CCCCNC1 50109 [1,0,0,1,0,0|1,0,0]=3 302 B8R1.22 O=C1CCCOCC1 P12770 [1,0,0,1,0,0|1,0,0]=3 303 B8R1.22 O=C1CCNCCN1 58405 [1,0,0,1,0,0|2,0,0]=4 304 B8R1.22 O=C1CNCCNC1 77718 [1,0,0,1,0,0|2,0,0]=4 305 B8R1.22 O=C1CNCCOC1 P20266 [1,0,0,1,0,0|2,0,0]=4 306 B8R1.22 O=C1COCCCN1 71169 [1,0,0,1,0,0|2,0,0]=4 307 B8R1.22 O=C1OCCCCO1 D93115 [1,0,0,1,0,0|2,0,0]=4 308 B8R1.36 OCCCC[C@H]1CO1 F52608 [1,0,0,1,0,0|2,0,0]=4 309 B8R1.1 N#C[C@H]1CCC(=O)C1 D96674 [1,0,0,1,0,0|1,0,1]=4 310 B8R1.1 NC[C@@H]1CNC(=O)C1 37317 [1,0,0,1,0,0|2,0,0]=4 311 B8R1.1 NC[C@@H]1CNC(=O)C1 37318 [1,0,0,1,0,0|2,0,0]=4 312 B8R1.1 NC[C@@H]1CNC(=O)C1 P15063 [1,0,0,1,0,0|2,0,0]=4 313 B8R1.1 NC[C@H]1CCC(=O)N1 D76501 [1,0,0,1,0,0|2,0,0]=4 314 B8R1.1 NC[C@H]1CCC(=O)N1 P10403 [1,0,0,1,0,0|2,0,0]=4 315 B8R1.1 NC[C@H]1CCC(=O)N1 P15844 [1,0,0,1,0,0|2,0,0]=4 316 B8R1.1 NC[C@H]1CCC(=O)N1 P18547 [1,0,0,1,0,0|2,0,0]=4 317 B8R1.1 NC[C@H]1CCC(=O)N1 P19760 [1,0,0,1,0,0|2,0,0]=4 318 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [1,0,0,1,0,0|2,0,0]=4 319 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [1,0,0,1,0,0|1,0,0]=3 320 B8R1.1 O=C1CC[C@H](CO)O1 80970 [1,0,0,1,0,0|2,0,0]=4 321 B8R1.1 O=C1C[C@H](CO)CN1 P11209 [1,0,0,1,0,0|2,0,0]=4 322 B8R1.4 CN1CCCC(=O)C1 S10664 [1,0,0,1,0,0|1,0,0]=3 323 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [1,0,0,1,0,0|1,0,1]=4 324 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [1,0,0,1,0,0|1,0,0]=3 325 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [1,0,0,1,0,0|1,0,0]=3 326 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [1,0,0,1,0,0|1,0,0]=3 327 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [1,0,0,1,0,0|1,0,0]=3 328 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [1,0,0,1,0,0|1,0,0]=3 329 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [1,0,0,1,0,0|2,0,0]=4 330 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [1,0,0,1,0,0|2,0,0]=4 331 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [1,0,0,1,0,0|2,0,0]=4 332 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [1,0,0,1,0,0|2,0,0]=4 333 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [1,0,0,1,0,0|1,0,0]=3 334 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [1,0,0,1,0,0|2,0,0]=4 335 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [1,0,0,1,0,0|2,0,0]=4 336 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [1,0,0,1,0,0|2,0,0]=4 337 B8R1.6 CCCC1CC(=O)C1 D96728 [1,0,0,1,0,0|0,0,0]=2 338 B8R1.6 N#CCC1CC(=O)C1 P15944 [1,0,0,1,0,0|1,0,1]=4 339 B8R1.7 CC(=O)[C@H]1CCOC1 79964 [1,0,0,1,0,0|1,0,0]=3 340 B8R1.7 CC(=O)[C@H]1NCCS1 C73779 [1,0,0,1,0,0|2,0,0]=4 341 B8R1.7 C[C@H](N)C1CCCC1 66137 [1,0,0,1,0,0|1,0,1]=4 342 B8R1.7 C[C@H](N)C1CCCC1 83604 [1,0,0,1,0,0|1,0,1]=4 343 B8R1.7 NC(=O)N1CCCC1 32811 [1,0,0,1,0,0|2,0,0]=4 344 B8R1.7 NC(=O)[C@H]1CCNC1 31795 [1,0,0,1,0,0|2,0,0]=4 345 B8R1.7 NC(=O)[C@H]1CCNC1 37190 [1,0,0,1,0,0|2,0,0]=4 346 B8R1.7 NC(=O)[C@H]1CCOC1 39026 [1,0,0,1,0,0|2,0,0]=4 347 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [1,0,0,1,0,0|2,0,0]=4 348 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [1,0,0,1,0,0|2,0,0]=4 349 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [1,0,0,1,0,0|2,0,0]=4 350 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [1,0,0,1,0,0|2,0,0]=4 351 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [1,0,0,1,0,0|2,0,0]=4 352 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [1,0,0,1,0,0|2,0,0]=4 353 B8R1.31 CC1NCC1C(=O)O P14366 [1,0,0,1,0,0|2,0,0]=4 354 B8R1.31 CN1CC[C@H]1C(=O)O D79077 [1,0,0,1,0,0|2,0,0]=4 355 B8R1.31 CN1CC[C@H]1C(=O)O F50250 [1,0,0,1,0,0|2,0,0]=4 356 B8R1.31 CN1CC[C@H]1C(=O)O F50319 [1,0,0,1,0,0|2,0,0]=4 357 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O P15238 [1,0,0,1,0,0|2,0,0]=4 358 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P15463 [1,0,0,1,0,0|2,0,0]=4 359 B8R1.34 CC(=O)CC1CCC1 D79207 [1,0,0,1,0,0|0,0,0]=2 360 B8R1.34 CC(=O)CC1COC1 CS1731 [1,0,0,1,0,0|1,0,0]=3 361 B8R1.34 CC(=O)OC1CNC1 C72427 [1,0,0,1,0,0|2,0,0]=4 362 B8R1.34 CC(=O)OC1CNC1 C76369 [1,0,0,1,0,0|2,0,0]=4 363 B8R1.34 N=C(N)CC1CCC1 33747 [1,0,0,1,0,0|2,0,0]=4 364 B8R1.34 O=C(O)CC1CNC1 37024 [1,0,0,1,0,0|2,0,0]=4 365 B8R1.34 O=C(O)CC1COC1 66388 [1,0,0,1,0,0|2,0,0]=4 366 B8R1.34 O=C(O)CN1CCC1 55159 [1,0,0,1,0,0|2,0,0]=4 367 B8R1.34 O=C([O-])CC1COC1 P19943 [1,0,0,1,0,0|2,0,0]=4 368 B8R1.35 O=C(O)CNC1CC1 F14996 [1,0,0,1,0,0|2,0,0]=4 369 B8R1.35 O=C(O)CNC1CC1 W15242 [1,0,0,1,0,0|2,0,0]=4 370 B8R1.43 O=C(O)C1CC1CCl D85971 [1,0,0,1,0,0|2,0,0]=4 371 B8R1.43 O=C(O)[C@H]1C[C@@H]1CCl P19534 [1,0,0,1,0,0|2,0,0]=4 372 B8R1.72 CC1(Br)CCCCC1 P19508 [1,0,0,1,0,0|1,0,1]=4 373 B10R1.13 C=C1CCN(C(C)=O)CC1 F20166 [0,1,0,1,0,0|1,0,1]=4 374 B10R1.13 CC(=O)N1CCC(Cl)CC1 C73926 [0,1,0,1,0,0|1,0,0]=3 375 B10R1.13 CC(=O)N1CCN(C)CC1 AB1017 [0,1,0,1,0,0|2,0,0]=4 376 B10R1.13 CC(=O)N1CCN(C)CC1 Y10612 [0,1,0,1,0,0|2,0,0]=4 377 B10R1.13 CC(=O)[C@@H]1CC=C(C)CC1 25854 [0,1,0,1,0,0|0,0,2]=4 378 B10R1.13 CC(C)[C@H]1CC[C@@H](O)CC1 D78896 [0,1,0,1,0,0|1,0,1]=4 379 B10R1.13 CC(C)[C@H]1CC[C@H](O)CC1 T71864 [0,1,0,1,0,0|1,0,1]=4 380 B10R1.13 CC1CCC(C(=O)O)CN1 50062 [0,1,0,1,0,0|2,0,0]=4 381 B10R1.13 CC1CCC(C(=O)O)CN1 AT20796 [0,1,0,1,0,0|2,0,0]=4 382 B10R1.13 CN(C)C1CCC(N)CC1 25878 [0,1,0,1,0,0|2,0,0]=4 383 B10R1.13 CN(C)[C@H]1CC[C@@H](O)CC1 20906 [0,1,0,1,0,0|2,0,0]=4 384 B10R1.13 CN(C)[C@H]1CC[C@H](O)CC1 20835 [0,1,0,1,0,0|2,0,0]=4 385 B10R1.13 CN1CCC(C(N)=O)CC1 AB1540 [0,1,0,1,0,0|2,0,0]=4 386 B10R1.13 NC(=O)C1CCC(=O)CC1 S11473 [0,1,0,1,0,0|1,0,1]=4 387 B10R1.13 O=C(O)C1CCC(F)CC1 P15397 [0,1,0,1,0,0|1,0,0]=3 388 B10R1.13 O=C(O)C1CCC(O)CN1 F30864 [0,1,0,1,0,0|2,0,0]=4 389 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 86182 [0,1,0,1,0,0|2,0,0]=4 390 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 P14578 [0,1,0,1,0,0|2,0,0]=4 391 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 P15745 [0,1,0,1,0,0|2,0,0]=4 392 B10R1.13 O=C(O)[C@H]1CC[C@@H](F)CC1 P16645 [0,1,0,1,0,0|1,0,0]=3 393 B10R1.13 O=C(O)[C@H]1CC[C@H](F)CC1 P16816 [0,1,0,1,0,0|1,0,0]=3 394 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 P10176 [0,1,0,1,0,0|1,0,1]=4 395 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 P12477 [0,1,0,1,0,0|1,0,1]=4 396 B10R1.31 CC(=O)N1CC[C@H](CO)C1 N10632 [0,1,0,1,0,0|2,0,0]=4 397 B10R1.31 CC(=O)N1CC[C@H](CO)C1 P18801 [0,1,0,1,0,0|2,0,0]=4 398 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 80174 [0,1,0,1,0,0|1,0,1]=4 399 B10R1.54 O=C(O)C[C@H]1C[C@H](O)CN1 FD10090 [0,1,0,1,0,0|2,0,0]=4 400 B10R1.150 COC(=O)CC1CC(=O)C1 84726 [0,1,0,1,0,0|1,0,1]=4 401 B10R1.10 CCN[C@H]1CCCN(C)C1 38281 [0,1,0,1,0,0|2,0,0]=4 402 B10R1.10 CN1CCC[C@H](CCN)C1 P11330 [0,1,0,1,0,0|2,0,0]=4 403 B10R1.10 CN1CCC[C@H](CCO)C1 P11620 [0,1,0,1,0,0|2,0,0]=4 404 B10R1.16 CCCCC1OCC(C)O1 D93006 [0,1,0,1,0,0|0,0,2]=4 405 B10R1.16 CCCC[C@H]1CCC(=O)O1 AC2057 [0,1,0,1,0,0|1,0,0]=3 406 B10R1.18 CC(=O)C=C1CCCCC1 W15953 [0,1,0,1,0,0|0,0,1]=3 407 B10R1.18 CC(=O)CC1CCCCC1 D84585 [0,1,0,1,0,0|0,0,0]=2 408 B10R1.18 CC(=O)NC1CCCCC1 A11899 [0,1,0,1,0,0|0,0,0]=2 409 B10R1.18 CC(=O)N[C@H]1CCCNC1 C77680 [0,1,0,1,0,0|1,0,0]=3 410 B10R1.18 CN(C)CC1CCCCC1 78298 [0,1,0,1,0,0|2,0,0]=4 411 B10R1.18 NC(=S)NC1CCCCC1 T70976 [0,1,0,1,0,0|1,1,0]=4 412 B10R1.18 O=C(Cl)CC1CCOCC1 78876 [0,1,0,1,0,0|1,0,0]=3 413 B10R1.18 O=C(O)CC1CCNCC1 20237 [0,1,0,1,0,0|1,0,0]=3 414 B10R1.18 O=C(O)C[C@H]1CCCCN1 AC1464 [0,1,0,1,0,0|1,0,0]=3 415 B10R1.18 O=C(O)C[C@H]1CCCNC1 56293 [0,1,0,1,0,0|1,0,0]=3 416 B10R1.18 O=C(O)C[C@H]1CCCNC1 56295 [0,1,0,1,0,0|1,0,0]=3 417 B10R1.18 O=C(O)C[C@H]1CNCCO1 77652 [0,1,0,1,0,0|2,0,0]=4 418 B10R1.18 O=C(O)C[C@H]1CNCCO1 A50778 [0,1,0,1,0,0|2,0,0]=4 419 B10R1.18 O=C(O)C[C@H]1COCCN1 26941 [0,1,0,1,0,0|2,0,0]=4 420 B10R1.61 CC(=O)N1CCCCC1=O 50302 [0,1,0,1,0,0|1,0,1]=4 421 B10R1.61 CC(C)C1CCCCC1O C77548 [0,1,0,1,0,0|1,0,1]=4 422 B10R1.61 CC1CCNCC1C(=O)O 85195 [0,1,0,1,0,0|1,0,0]=3 423 B10R1.61 CC1CNCCC1C(=O)O P12933 [0,1,0,1,0,0|1,0,0]=3 424 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N C15575 [0,1,0,1,0,0|2,0,0]=4 425 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N F16515 [0,1,0,1,0,0|2,0,0]=4 426 B10R1.61 CN1CCCC[C@H]1C(=O)O F14430 [0,1,0,1,0,0|1,0,0]=3 427 B10R1.61 CN1CCCC[C@H]1C(=O)O Y13554 [0,1,0,1,0,0|1,0,0]=3 428 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20637 [0,1,0,1,0,0|1,0,0]=3 429 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20800 [0,1,0,1,0,0|1,0,0]=3 430 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F12968 [0,1,0,1,0,0|1,0,0]=3 431 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F53490 [0,1,0,1,0,0|1,0,0]=3 432 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F12964 [0,1,0,1,0,0|1,0,0]=3 433 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F18377 [0,1,0,1,0,0|1,0,0]=3 434 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O P20265 [0,1,0,1,0,0|1,0,0]=3 435 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O 51259 [0,1,0,1,0,0|2,0,0]=4 436 B10R1.61 O=C([O-])[C@@H]1CCCCC1=O F11699 [0,1,0,1,0,0|1,0,1]=4 437 B10R1.66 O=C(O)CC[C@H]1CCOC1 72506 [0,1,0,1,0,0|1,0,0]=3 438 B10R1.66 O=C(O)CNC1CCCC1 AB6936 [0,1,0,1,0,0|1,0,0]=3 439 B10R1.66 O=C(O)CNC1CCCC1 W15241 [0,1,0,1,0,0|1,0,0]=3 440 B10R1.78 O=C1CCCCCCCC1 AC8766 [0,1,0,1,0,0|0,0,0]=2 441 B10R1.78 O=C1CCCCCCCN1 D74918 [0,1,0,1,0,0|0,0,0]=2 442 B10R1.86 O=C(O)[C@@H]1CCN1CCF P18441 [0,1,0,1,0,0|2,0,0]=4 443 B10R1.348 CC(=O)N1CCCNCC1 W19159 [0,1,0,1,0,0|1,0,0]=3 444 B10R1.348 CN(C)[C@H]1CCCCNC1 F17126 [0,1,0,1,0,0|2,0,0]=4 445 B10R1.348 N=C(N)C1CCCCCC1 A11705 [0,1,0,1,0,0|2,0,0]=4 446 B10R1.348 NC(=O)C1CCCCCC1 C72770 [0,1,0,1,0,0|1,0,0]=3 447 B10R1.348 O=C(Cl)C1CCCCCC1 D96414 [0,1,0,1,0,0|1,0,0]=3 448 B10R1.348 O=C(O)C1CCC=CCC1 C73071 [0,1,0,1,0,0|1,0,1]=4 449 B10R1.348 O=C(O)[C@@H]1CCCCCN1 I10217 [0,1,0,1,0,0|1,0,0]=3 450 B10R1.348 O=C(O)[C@H]1CCCCNC1 81143 [0,1,0,1,0,0|1,0,0]=3 451 B10R1.28 CC(C)(O)C1CCCCC1 P15991 [0,1,0,1,0,0|0,0,2]=4 452 B10R1.28 CS(=O)(=O)[C@H]1CCCNC1 37183 [0,1,0,1,0,0|2,0,0]=4 453 B10R1.28 CS(=O)(=O)[C@H]1CCCNC1 P12012 [0,1,0,1,0,0|2,0,0]=4 454 B10R1.28 CS(=O)(=O)[C@H]1CCCNC1 P12013 [0,1,0,1,0,0|2,0,0]=4 455 B10R1.1 N#CCC1CCC(=O)CC1 A10161 [0,1,0,1,0,0|1,0,1]=4 456 B10R1.1 O=C1CCC(CCO)CC1 AB7316 [0,1,0,1,0,0|1,0,0]=3 457 B10R1.2 CN1CCC[C@H](CN)C1=O 85553 [0,1,0,1,0,0|2,0,0]=4 458 B10R1.15 CCC(=O)C1CCCCC1 F53827 [0,1,0,1,0,0|0,0,0]=2 459 B10R1.15 CC[C@H](N)C1CCCCC1 N10674 [0,1,0,1,0,0|1,0,1]=4 460 B10R1.15 CC[C@H](N)C1CCCCC1 O10192 [0,1,0,1,0,0|1,0,1]=4 461 B10R1.15 CNC(=O)[C@H]1CCCNC1 D75606 [0,1,0,1,0,0|1,0,0]=3 462 B10R1.15 CNC(=O)[C@H]1CCCNC1 P12591 [0,1,0,1,0,0|1,0,0]=3 463 B10R1.15 CNC(=O)[C@H]1CCCNC1 P12592 [0,1,0,1,0,0|1,0,0]=3 464 B10R1.15 CN[C@@H](C)C1CCCCC1 78566 [0,1,0,1,0,0|1,0,1]=4 465 B10R1.15 COC(=O)C1CCSCC1 74108 [0,1,0,1,0,0|1,0,0]=3 466 B10R1.15 COC(=O)N1CCOCC1 AC6632 [0,1,0,1,0,0|2,0,0]=4 467 B10R1.15 COC(=O)[C@@H]1COCCN1 25784 [0,1,0,1,0,0|2,0,0]=4 468 B10R1.15 COC(=O)[C@@H]1COCCN1 31155 [0,1,0,1,0,0|2,0,0]=4 469 B10R1.15 COC(=O)[C@@H]1COCCN1 P10713 [0,1,0,1,0,0|2,0,0]=4 470 B10R1.15 COC(=O)[C@H]1CCCNC1 P10578 [0,1,0,1,0,0|1,0,0]=3 471 B10R1.15 NCC(=O)N1CCCCC1 F21140 [0,1,0,1,0,0|1,0,0]=3 472 B10R1.15 NNC(=O)[C@H]1CCCOC1 P12180 [0,1,0,1,0,0|2,0,0]=4 473 B10R1.15 O=C(CBr)C1CCOCC1 P11188 [0,1,0,1,0,0|1,0,0]=3 474 B10R1.15 O=C(CBr)N1CCCCC1 S12026 [0,1,0,1,0,0|1,0,0]=3 475 B10R1.15 O=C(CO)C1CCCCC1 D93099 [0,1,0,1,0,0|0,0,0]=2 476 B10R1.15 O=C(CO)N1CCOCC1 W10210 [0,1,0,1,0,0|2,0,0]=4 477 B10R1.27 C=CC(=O)NC1CCCC1 AB10373 [0,1,0,1,0,0|1,0,1]=4 478 B10R1.27 COC(=O)C[C@H]1CCCN1 27751 [0,1,0,1,0,0|1,0,0]=3 479 B10R1.27 COC(=O)C[C@H]1CCCN1 C74748 [0,1,0,1,0,0|1,0,0]=3 480 B10R1.27 COC(=O)C[C@H]1CCNC1 11209 [0,1,0,1,0,0|1,0,0]=3 481 B10R1.27 COC(=O)C[C@H]1CCNC1 11210 [0,1,0,1,0,0|1,0,0]=3 482 B10R1.149 COC(=O)C1CNCC1C F21201 [0,1,0,1,0,0|1,0,0]=3 483 B10R1.149 COC(=O)[C@@H]1CCCN1C D94450 [0,1,0,1,0,0|1,0,0]=3 484 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N 30654 [0,1,0,1,0,0|1,0,0]=3 485 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N N12552 [0,1,0,1,0,0|1,0,0]=3 486 B10R1.149 COC(=O)[C@@H]1COC[C@@H]1N P15748 [0,1,0,1,0,0|2,0,0]=4 487 B10R1.149 COC(=O)[C@H]1CCC[C@@H]1N D96592 [0,1,0,1,0,0|1,0,0]=3 488 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C 95112 [0,1,0,1,0,0|1,0,0]=3 489 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C P17333 [0,1,0,1,0,0|1,0,0]=3 490 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C P20900 [0,1,0,1,0,0|1,0,0]=3 491 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C S12236 [0,1,0,1,0,0|1,0,0]=3 492 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O 89325 [0,1,0,1,0,0|2,0,0]=4 493 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O P15500 [0,1,0,1,0,0|2,0,0]=4 494 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O P14684 [0,1,0,1,0,0|2,0,0]=4 495 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O VT1192 [0,1,0,1,0,0|2,0,0]=4 496 B10R1.161 O=CC1CCCCCCC1 59424 [0,1,0,1,0,0|0,0,1]=3 497 B10R1.232 NCC1(O)CCCCCC1 C78231 [0,1,0,1,0,0|0,0,2]=4 498 B10R1.275 CN1CCCC[C@H](N)C1=O 66077 [0,1,0,1,0,0|2,0,0]=4 499 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 AT23194 [0,1,0,1,0,0|2,0,0]=4 500 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 P15531 [0,1,0,1,0,0|2,0,0]=4 501 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 P16284 [0,1,0,1,0,0|2,0,0]=4 502 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 30865 [0,1,0,1,0,0|2,0,0]=4 503 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 AC1163 [0,1,0,1,0,0|2,0,0]=4 504 B10R1.23 NC(C(=O)O)C1CCNC1 67423 [0,1,0,1,0,0|2,0,0]=4 505 B10R1.23 NC(C(=O)O)C1CCOC1 67390 [0,1,0,1,0,0|2,0,0]=4 506 B10R1.113 CC(=O)N1CCCC(=O)C1 F13225 [0,1,0,1,0,0|1,0,1]=4 507 B10R1.113 CC(=O)N1CCN[C@@H](C)C1 C15558 [0,1,0,1,0,0|2,0,0]=4 508 B10R1.113 CC(=O)N1CCN[C@@H](C)C1 W10102 [0,1,0,1,0,0|2,0,0]=4 509 B10R1.113 CC1CCCC(C(=O)O)N1 CL3106 [0,1,0,1,0,0|1,0,0]=3 510 B10R1.113 CC1CNCC(C(=O)O)O1 F18917 [0,1,0,1,0,0|2,0,0]=4 511 B10R1.113 CN(C)C1CCCC(N)C1 T71430 [0,1,0,1,0,0|2,0,0]=4 512 B10R1.113 CN1CCC[C@H](C(=O)O)C1 P15822 [0,1,0,1,0,0|2,0,0]=4 513 B10R1.113 CN1CCC[C@H](C(=O)O)C1 P15830 [0,1,0,1,0,0|2,0,0]=4 514 B10R1.113 C[C@H]1CCN[C@H](C(=O)O)C1 49321 [0,1,0,1,0,0|2,0,0]=4 515 B10R1.113 C[C@H]1C[C@@H](C(=O)O)CCN1 D78964 [0,1,0,1,0,0|2,0,0]=4 516 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 O10019 [0,1,0,1,0,0|1,0,0]=3 517 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P14630 [0,1,0,1,0,0|1,0,0]=3 518 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P15156 [0,1,0,1,0,0|1,0,0]=3 519 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P18748 [0,1,0,1,0,0|1,0,0]=3 520 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14344 [0,1,0,1,0,0|1,0,0]=3 521 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14570 [0,1,0,1,0,0|1,0,0]=3 522 B10R1.113 O=C(O)C1CCCC(O)C1 F30240 [0,1,0,1,0,0|1,0,0]=3 523 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17607 [0,1,0,1,0,0|1,0,0]=3 524 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17608 [0,1,0,1,0,0|1,0,0]=3 525 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P19688 [0,1,0,1,0,0|1,0,0]=3 526 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P21100 [0,1,0,1,0,0|1,0,0]=3 527 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 D96696 [0,1,0,1,0,0|1,0,1]=4 528 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 D96697 [0,1,0,1,0,0|1,0,1]=4 529 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 F30241 [0,1,0,1,0,0|1,0,1]=4 530 B10R1.176 CN1CC[C@H](CN)CC1=O P14228 [0,1,0,1,0,0|2,0,0]=4 531 B10R1.176 CN1CC[C@H](CO)CC1=O 37254 [0,1,0,1,0,0|2,0,0]=4 532 B10R1.204 N[C@@H](CC1CCC1)C(=O)O 59422 [0,1,0,1,0,0|1,0,0]=3 533 B10R1.204 N[C@@H](CC1CCC1)C(=O)O 67426 [0,1,0,1,0,0|1,0,0]=3 534 B10R1.291 CN1CCC[C@@]1(C)C(=O)O AT11330 [0,1,0,1,0,0|2,0,0]=4 535 B10R1.363 CC(=O)C1(C)CCCCC1 A11159 [0,1,0,1,0,0|0,0,0]=2 536 B10R1.363 CC(=O)C1(C)CCOCC1 P13993 [0,1,0,1,0,0|1,0,0]=3 537 B10R1.363 CC(C)C1(O)CCCCC1 D93300 [0,1,0,1,0,0|1,0,1]=4 538 B10R1.363 CC1(C(=O)Cl)CCCCC1 CS1017 [0,1,0,1,0,0|1,0,0]=3 539 B10R1.363 CC1(C(=O)O)CCNCC1 30932 [0,1,0,1,0,0|2,0,0]=4 540 B10R1.363 CC1(C(=O)O)CCSCC1 P12320 [0,1,0,1,0,0|2,0,0]=4 541 B10R1.363 C[C@]1(C(=O)O)CCCNC1 38435 [0,1,0,1,0,0|2,0,0]=4 542 B10R1.363 C[C@]1(C(=O)O)CCCNC1 55571 [0,1,0,1,0,0|2,0,0]=4 543 B10R1.363 NC(=O)C1(N)CCCCC1 20713 [0,1,0,1,0,0|1,0,0]=3 544 B10R1.363 NC(=O)C1(N)CCOCC1 AB8079 [0,1,0,1,0,0|2,0,0]=4 545 B10R1.363 NC1(C(=O)O)CCSCC1 AC6055 [0,1,0,1,0,0|2,0,0]=4 546 B10R1.363 O=C(O)C1(F)CCCCC1 85750 [0,1,0,1,0,0|1,0,0]=3 547 B10R1.363 O=C(O)C1(F)CCOCC1 38681 [0,1,0,1,0,0|2,0,0]=4 548 B10R1.363 O=C(O)C1(O)CCNCC1 F30328 [0,1,0,1,0,0|2,0,0]=4 549 B10R1.59 CN1C[C@H](O)C[C@H]1C(=O)O D96820 [0,1,0,1,0,0|2,0,0]=4 550 B10R1.82 O=C(O)CCC1CC(=O)C1 P16547 [0,1,0,1,0,0|1,0,1]=4 551 B10R1.390 COC[C@]1(C)CNC(=O)C1 AT19128 [0,1,0,1,0,0|2,0,0]=4 552 B10R1.128 CC1(C)CCN[C@@H]1C(=O)O 52532 [0,1,0,1,0,0|2,0,0]=4 553 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O F12448 [0,1,0,1,0,0|2,0,0]=4 554 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)[O-] 42785 [0,1,0,1,0,0|2,0,0]=4 555 B10R2.62 O=C1CC2CCC1CC2 91055 [0,0,0,2,0,0|0,0,0]=2 556 B10R2.62 O=C1CC2CCC1CN2 P14923 [0,0,0,2,0,0|1,0,0]=3 557 B10R2.62 O=C1NC2CCC1CC2 38593 [0,0,0,2,0,0|1,0,0]=3 558 B10R2.62 O[C@H]1CC2CCC1CC2 C73587 [0,0,0,2,0,0|0,0,2]=4 559 B10R2.71 O=C1CC2CCC(C1)C2 37889 [0,0,0,2,0,0|0,0,0]=2 560 B10R2.408 C1CC2CCCC(C1)N2 38672 [0,0,0,2,0,0|1,0,1]=4 561 B10R2.534 N[C@H]1CCCC2(CC2)C1 P17890 [0,0,0,2,0,0|1,0,1]=4 562 B10R2.534 O=C1CCCC2(CC2)N1 82072 [0,0,0,2,0,0|1,0,0]=3 563 B10R2.534 O=C1CCNC2(CC2)C1 D78858 [0,0,0,2,0,0|1,0,0]=3 564 B10R2.534 O=C1COCC2(CC2)N1 80088 [0,0,0,2,0,0|2,0,0]=4 565 B10R2.351 NC(=O)[C@@H]1[C@H]2CNC[C@H]21 P17252 [0,0,0,2,0,0|2,0,0]=4 566 B10R2.351 O=C(O)C1C2CCOC21 P17384 [0,0,0,2,0,0|2,0,0]=4 567 B10R2.355 O=C(O)C1NCC2CC21 P16025 [0,0,0,2,0,0|2,0,0]=4 568 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 54180 [0,0,0,2,0,0|2,0,0]=4 569 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 D82603 [0,0,0,2,0,0|2,0,0]=4 570 B10R2.357 O=C(O)C1CC2CC2C1 38234 [0,0,0,2,0,0|1,0,0]=3 571 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 38337 [0,0,0,2,0,0|2,0,0]=4 572 B10R2.2 O=C1CC2CSCC2C1 38018 [0,0,0,2,0,0|1,0,0]=3 573 B10R2.2 O=C1C[C@H]2CSC[C@@H]2C1 AT14674 [0,0,0,2,0,0|1,0,0]=3 574 B10R2.2 O=C1NC2CCCC2O1 N10687 [0,0,0,2,0,0|2,0,0]=4 575 B10R2.32 O=C1CCC2CNCC12 P10378 [0,0,0,2,0,0|1,0,0]=3 576 B10R2.32 O=C1CO[C@@H]2OCC[C@H]12 C91362 [0,0,0,2,0,0|2,0,0]=4 577 B10R2.332 O=C1CC2(CCC2)CN1 D73448 [0,0,0,2,0,0|1,0,0]=3 578 B10R2.332 O=C1CC2(CN1)COC2 84048 [0,0,0,2,0,0|2,0,0]=4 579 B10R2.332 O=C1CC2(CNC2)CN1 F16075 [0,0,0,2,0,0|2,0,0]=4 580 B10R2.332 O=C1CC2(CNC2)CN1 O10622 [0,0,0,2,0,0|2,0,0]=4 581 B10R2.332 O=C1COC2(CCC2)C1 D84838 [0,0,0,2,0,0|1,0,0]=3 582 B10R2.332 O=C1COC2(COC2)C1 D96718 [0,0,0,2,0,0|2,0,0]=4 583 B10R2.332 O=C1NC2(CCC2)CO1 F31393 [0,0,0,2,0,0|2,0,0]=4 584 B10R2.332 O=C1NCC2(CCC2)O1 37823 [0,0,0,2,0,0|2,0,0]=4 585 B10R2.316 O=C1CC2(CCCC2)C1 P18360 [0,0,0,2,0,0|0,0,0]=2 586 B10R2.633 O=C(O)C1CC1C2CC2 P10168 [0,0,0,2,0,0|1,0,0]=3 587 B10R2.638 O=C(O)[C@H]1CC12CCC2 90961 [0,0,0,2,0,0|1,0,0]=3