0 B7R0.1 C#CCCNCCO DA-28477 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.1 CCCCCC#CI DA-29305 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 CCCOCCCN DA-43561 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.1 CCNCCOCC DA-26270 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.1 CCOCC#CCO DA-39467 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.1 COCOCCC#N DA-25587 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.1 COCOCCC=O DA-25586 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.6 C(COCCI)O DA-28616 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.6 CCCOCC=O DA-25689 [1,0,0,0,0,0|0,0,2]=3 9 B6R0.6 CCC[Sn+2]CCC DA-34908 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.6 CCNCCOC DA-42706 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.6 CCOCCNC DA-26269 [1,0,0,0,0,0|1,0,0]=2 12 B6R0.6 COCOCC=O DA-27663 [1,0,0,0,0,0|1,0,2]=4 13 B8R0.4 C(CCC#CI)CCO DA-35631 [0,1,0,0,0,0|1,0,2]=4 14 B8R0.4 C(CCCI)CCCI DA-30138 [0,1,0,0,0,0|2,0,0]=3 15 B8R0.4 CNCCCCCC=C DA-47831 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.6 CCCCCC(=O)CBr DA-29678 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.6 COC(=O)CCCCO DA-32302 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.7 CC(C)CCCCCBr DA-29605 [0,1,0,0,0,0|2,0,0]=3 19 B8R0.7 CC(C)CCCCCO DA-36043 [0,1,0,0,0,0|1,0,0]=2 20 B8R1.2 C1CC=C(OC1)CO DA-24742 [0,0,0,1,0,0|0,0,2]=3 21 B8R1.2 C1CSCCC1CN DA-31834 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.5 C1COCC(C1=O)O DA-41566 [0,0,0,1,0,0|1,0,1]=3 23 B8R1.5 CC1COCCC1=O DA-46235 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.8 C1CCC(C1)CCCl DA-32115 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.10 C1C(CN1)OCC#N DA-27902 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.10 C1CC(C1)NCCN DA-47821 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.11 CCC1C(CCN1)N DA-26252 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.13 CCCC1CCC1=O DA-25683 [0,0,0,1,0,0|1,0,2]=4 29 B8R1.22 C1COCCNC1=O DA-48241 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.22 CC1CCNCCO1 DA-35898 [0,0,0,1,0,0|1,0,0]=2 31 B8R1.36 C1CC1CNCCO DA-41973 [0,0,0,1,0,0|1,0,0]=2 32 B5R0.2 C(CCBr)CN DA-21372 [2,0,0,0,0,0|2,0,0]=4 33 B5R0.2 CNCCCBr DA-25561 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.2 CNCCCBr DA-42177 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.2 CNCCSC DA-39999 [2,0,0,0,0,0|1,1,0]=4 36 B7R0.3 CCCOC(=O)CBr DA-42657 [1,1,0,0,0,0|1,0,1]=4 37 B7R0.4 CC(=O)NCCCO DA-48072 [1,1,0,0,0,0|1,0,1]=4 38 B7R0.4 CC(C)CCCCCl DA-29531 [1,1,0,0,0,0|1,0,0]=3 39 B7R0.4 CC(C)NCCOC DA-48104 [1,1,0,0,0,0|2,0,0]=4 40 B7R0.4 CCCNCC(C)C DA-42549 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.4 CN(C)CCCCCl DA-39529 [1,1,0,0,0,0|2,0,0]=4 42 B7R0.7 CN(CCN)CCO DA-27048 [1,1,0,0,0,0|2,0,0]=4 43 B9R0.5 CCCCCC(CCCl)O DA-29557 [0,2,0,0,0,0|2,0,0]=4 44 B9R0.5 CCOC(=O)COCCN DA-45829 [0,2,0,0,0,0|1,0,1]=4 45 B9R0.45 CNCCCCCCC=C DA-41277 [0,2,0,0,0,0|2,0,0]=4 46 B9R0.47 CCCCOC(=O)C(C)Br DA-35000 [0,2,0,0,0,0|1,0,1]=4 47 B9R0.50 COC(COCCO)C=C DA-28969 [0,2,0,0,0,0|1,0,0]=3 48 B9R0.38 CC(C)(CCCCCBr)O DA-35788 [0,2,0,0,0,0|2,0,0]=4 49 B7R1.1 C1COC(O1)CO DA-30497 [1,0,0,1,0,0|1,0,0]=3 50 B7R1.1 CNC1CCCC1 DA-41441 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.1 COC1CCCC1 DA-34934 [1,0,0,1,0,0|2,0,0]=4 52 B7R1.3 C1C=CC(CO1)O DA-42425 [1,0,0,1,0,0|0,0,2]=4 53 B7R1.3 C=C1CCOCC1 DA-42620 [1,0,0,1,0,0|0,0,2]=4 54 B7R1.3 CC1CCOCC1 DA-42393 [1,0,0,1,0,0|0,0,0]=2 55 B7R1.4 C1[C@H]([C@H](CN1)O)O DA-34970 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.4 CC1CNCC1N DA-39111 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.7 C1CC1C#CCO DA-48339 [1,0,0,1,0,0|0,0,2]=4 58 B7R1.7 C1CC1CCC=O DA-34928 [1,0,0,1,0,0|0,0,2]=4 59 B7R1.7 C1CC1CCCO DA-34927 [1,0,0,1,0,0|0,0,0]=2 60 B7R1.7 CCNCC1CC1 DA-42986 [1,0,0,1,0,0|1,0,0]=3 61 B7R1.8 CC1COC1CI DA-27675 [1,0,0,1,0,0|1,0,0]=3 62 B7R1.9 C#CC1CC1CO DA-44618 [1,0,0,1,0,0|0,0,2]=4 63 B9R1.2 C1CC(CC(C1)N)CO DA-24180 [0,1,0,1,0,0|1,0,0]=3 64 B9R1.2 COC1CCCC(C1)O DA-23430 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.8 C1CC(COC1)CC=O DA-48094 [0,1,0,1,0,0|1,0,1]=4 66 B9R1.8 C1CC(COC1)CCBr DA-25391 [0,1,0,1,0,0|1,0,0]=3 67 B9R1.8 C1CC(COC1)CCO DA-48093 [0,1,0,1,0,0|1,0,0]=3 68 B9R1.8 C1CCC(=CC1)CCBr DA-31452 [0,1,0,1,0,0|2,0,0]=4 69 B9R1.8 C1CCN(CC1)CCI DA-31383 [0,1,0,1,0,0|2,0,0]=4 70 B9R1.8 C1CCOC(C1)CC=O DA-41105 [0,1,0,1,0,0|0,0,1]=3 71 B9R1.8 C1CSCCC1CCO DA-25634 [0,1,0,1,0,0|1,0,0]=3 72 B9R1.9 C1C(CN1CCCN)O DA-31257 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.12 C1CCN(C1)CCCBr DA-31223 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.12 C1CNCC1OCCO DA-28381 [0,1,0,1,0,0|0,0,0]=2 75 B9R1.12 C1COCC1CCCBr DA-25276 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.12 C1COCC1CCCO DA-48092 [0,1,0,1,0,0|1,0,0]=3 77 B9R1.12 CNCCC1CCCC1 DA-40697 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.12 COCCC1CCCN1 DA-28602 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.15 C1CCC(=O)C(C1)CO DA-28975 [0,1,0,1,0,0|1,0,0]=3 80 B9R1.15 C1CNCC(C1O)CO DA-24899 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.15 CC1CCCCC1CO DA-25805 [0,1,0,1,0,0|1,0,0]=3 82 B9R1.15 CN1CCOCC1CO DA-39116 [0,1,0,1,0,0|1,0,0]=3 83 B9R1.49 C1CC(CCC(=O)C1)O DA-23103 [0,1,0,1,0,0|1,0,1]=4 84 B9R1.100 CCCNC(C)C1CC1 DA-48362 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.134 CC1(CCCC1)CCO DA-28774 [0,1,0,1,0,0|1,0,0]=3 86 B9R1.17 COCCNC1CCC1 DA-47912 [0,1,0,1,0,0|1,0,0]=3 87 B9R1.17 COCCOC1CNC1 DA-25343 [0,1,0,1,0,0|1,0,0]=3 88 B9R1.17 COCCOC1CNC1 DA-25344 [0,1,0,1,0,0|1,0,0]=3 89 B9R1.89 C1CCCC(CC1)NN DA-34947 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.1 COC1CCC(CO1)O DA-42912 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.11 CC(CN)N1CCCC1 DA-27589 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.21 C1CC(NC1CO)CO DA-27173 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.21 C1CC(OC1CO)CO DA-42665 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.21 CCC1CCC(C1)CBr DA-44154 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.21 CCC1CCC(C1)CO DA-42789 [0,1,0,1,0,0|1,0,0]=3 96 B9R1.99 CCCCCC1(CO1)C DA-25924 [0,1,0,1,0,0|1,0,0]=3 97 B9R1.118 C1CCC(CC1)(CO)F DA-31703 [0,1,0,1,0,0|1,0,0]=3 98 B9R1.118 C1CNCCC1(CO)F DA-39396 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.118 C1COCCC1(CO)F DA-40892 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.118 CC1(CCCCC1)CO DA-29142 [0,1,0,1,0,0|1,0,0]=3 101 B9R1.118 CC1(CCCCN1)CO DA-25922 [0,1,0,1,0,0|1,0,0]=3 102 B9R1.6 CC(=O)C1COCCO1 DA-31656 [0,1,0,1,0,0|0,0,1]=3 103 B9R1.13 C1CCC(C1)CC(=O)O DA-34939 [0,1,0,1,0,0|1,0,1]=4 104 B9R1.40 CC1(CCCCC1Br)O DA-41535 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.59 CCCC1C(O1)C(=O)O DA-23241 [0,1,0,1,0,0|0,0,1]=3 106 B9R1.84 C1CC(C1)CCC(=O)O DA-34953 [0,1,0,1,0,0|1,0,1]=4 107 B9R2.47 C1C(CC2C1C2)CO DA-35032 [0,0,0,2,0,0|1,0,0]=3 108 B9R2.174 C1CCNC2(C1)CC2 DA-21300 [0,0,0,2,0,0|2,0,0]=4 109 B9R2.2 C1CC(NC1)C2CC2 DA-26301 [0,0,0,2,0,0|2,0,0]=4 110 B9R2.2 C1COCC1C2CO2 DA-44970 [0,0,0,2,0,0|2,0,0]=4 111 B9R2.173 C1CC2(CNC2)OC1 DA-37049 [0,0,0,2,0,0|2,0,0]=4 112 B9R2.5 C1CC12CNCC2O DA-37975 [0,0,0,2,0,0|1,0,0]=3 113 B9R2.69 C1CC1CNC2CC2 DA-43253 [0,0,0,2,0,0|2,0,0]=4