0 B7R0.7 CCCC(C)CC#N PH002982 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.7 CCCC(Cl)CCC S563323 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.7 CCCC(S)CCO CDS001520 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.7 CCCS(=O)CCC S440973 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.7 CCOC(C)CCO S322008 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.1 CC(CO)CCN CDS000171 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.1 CC/C=C(\C)/CC R289574 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.1 CC/C=C(\C)/CC R289582 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.1 CCC(C)CCN CBR00385 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.1 CCCC(C)NC PH018184 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.1 CCCC(N)CC CBR01120 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.1 CCNC(C)CC CBR00870 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 CNC(C)CCO CBR02003 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 C[C@@H](CO)CCN CDS000036 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.6 CCCNCCC R580155 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.6 CCCSCCO S408859 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.6 FCCCCCBr CBR02103 [1,0,0,0,0,0|1,2,0]=4 17 B6R0.6 NCCOCCN CDS000024 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.6 NCCSCCO S449539 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.1 CCCCN(C)CCN PH014575 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.1 CCCCN(C)CCO PH017931 [0,1,0,0,0,0|2,0,0]=3 21 B8R0.22 C(=O)N(CCO)CCO S617296 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.30 CC(C)(CCO)CCO PH007871 [0,1,0,0,0,0|3,0,0]=4 23 B8R0.30 CCCC(C)(O)CCC S431621 [0,1,0,0,0,0|3,0,0]=4 24 B8R0.30 CCCS(=O)(=O)CCCl R397296 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.4 CC1CCCC(C1)N CDS007614 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.4 CC1CCCC(C1)S CDS023316 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.4 CN1CCCC(C1)N CDS007772 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.4 C[C@H]1CN(CCN1)C CDS008983 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.8 ClCCN1CCCC1 CDS008148 [0,0,0,1,0,0|1,0,0]=2 30 B8R1.8 NCCC1CCCC1 CDS008185 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.8 NCCC1CCCC1 T175072 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.8 OCCN1CCOC1 PH015317 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.11 CN1CCCC1CCl CBR02411 [0,0,0,1,0,0|1,0,0]=2 34 B8R1.11 CN1CCCC1CN CBR00699 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.11 CN1CCCC1CO CDS011078 [0,0,0,1,0,0|2,0,0]=3 36 B5R0.1 CC(C)CCCl S564524 [2,0,0,0,0,0|1,0,0]=3 37 B5R0.1 CN(C)CCBr PH011840 [2,0,0,0,0,0|0,1,0]=3 38 B5R0.1 CN(C)CCO S573124 [2,0,0,0,0,0|1,0,0]=3 39 B5R0.2 C=CCNCC PH014544 [2,0,0,0,0,0|1,0,1]=4 40 B5R0.2 CCCC[Hg]Cl S829617 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.2 CCCNCC CDS000615 [2,0,0,0,0,0|1,0,0]=3 42 B5R0.2 CCCOCC CDS000380 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.2 CCNNCC S814563 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.2 CCOCCN CDS000379 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.2 CCSCCO PH011451 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.3 CCC(N)CC TMT00064 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.3 CCN(O)CC S623067 [2,0,0,0,0,0|1,0,0]=3 48 B5R0.3 CC[Tl](Br)CC S837075 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.3 CC[Tl](I)CC S837083 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.2 CCC(C)CC(=O)Cl PH016167 [1,1,0,0,0,0|1,0,1]=4 51 B7R0.3 C(=C(/C)\CC)\CCO T295590 [1,1,0,0,0,0|2,0,0]=4 52 B7R0.3 CCCSC(C)CC S570672 [1,1,0,0,0,0|2,0,0]=4 53 B7R0.5 CC(=O)N(C)CCN PH019599 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.5 CC(=O)N(C)CCO CBR01454 [1,1,0,0,0,0|1,0,1]=4 55 B7R0.5 CCCC(C)C(C)O S433373 [1,1,0,0,0,0|2,0,0]=4 56 B7R0.10 CCN(C)C(C)CO CBR01495 [1,1,0,0,0,0|1,0,0]=3 57 B7R0.10 ClCC(Br)C(Br)CCl S360171 [1,1,0,0,0,0|2,0,0]=4 58 B7R0.11 CCCC(C)(C)CC R289418 [1,1,0,0,0,0|2,0,0]=4 59 B7R0.11 CCCC(C)(O)CC S426865 [1,1,0,0,0,0|2,0,0]=4 60 B7R0.11 CCC[N+](C)(C)CC S765708 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.11 CCS(=O)(=O)CCCl CDS011744 [1,1,0,0,0,0|2,0,0]=4 62 B7R0.12 CCN(CC)COC S433551 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.12 NCCN(CC)CC S727369 [1,1,0,0,0,0|1,0,0]=3 64 B7R0.1 CCCCCC[Hg]Cl S572519 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.1 CCCNCCC#N PH017151 [1,1,0,0,0,0|2,0,0]=4 66 B7R0.1 CNCCNCCO S522449 [1,1,0,0,0,0|2,0,0]=4 67 B7R0.1 NCCCNCCO S446831 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.1 NCCNCCCO CDS000635 [1,1,0,0,0,0|2,0,0]=4 69 B7R0.1 OCCCNCCO S408409 [1,1,0,0,0,0|2,0,0]=4 70 B7R0.4 CC(C)CNCCO CBR01428 [1,1,0,0,0,0|2,0,0]=4 71 B7R0.4 CC(O)CNCCN S438324 [1,1,0,0,0,0|2,0,0]=4 72 B7R0.4 CC(O)CNCCO S361372 [1,1,0,0,0,0|2,0,0]=4 73 B7R0.4 CCCCCC(C)Cl CDS000285 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.4 CCCNC[C@@H](C)O PH016360 [1,1,0,0,0,0|2,0,0]=4 75 B9R0.18 CNCCN(C)CCNC S388483 [0,2,0,0,0,0|2,0,0]=4 76 B9R0.18 O=C(NCCCl)OCCCl R416347 [0,2,0,0,0,0|2,0,0]=4 77 B9R0.40 CCN(CCO)CCCN PH009963 [0,2,0,0,0,0|2,0,0]=4 78 B9R0.17 C=CCN(CCO)CCO S553182 [0,2,0,0,0,0|2,0,0]=4 79 B9R0.17 CCCN(CC#N)CCC S347744 [0,2,0,0,0,0|2,0,0]=4 80 B9R0.17 CCCN(CCC)CCC S429384 [0,2,0,0,0,0|2,0,0]=4 81 B9R0.17 CCCN(CCC)CCC S503630 [0,2,0,0,0,0|2,0,0]=4 82 B9R0.17 CCCN(CCC)CCN PH014853 [0,2,0,0,0,0|2,0,0]=4 83 B9R0.17 NCCN(CCO)CCO S764817 [0,2,0,0,0,0|2,0,0]=4 84 B7R1.1 ClCC1CCOC1 CDS022549 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.4 CC1CCCC1C R289701 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.6 NCCC1CCC1 CBR02277 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.7 CCCNC1CC1 CBR00141 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.24 C1CNCCOC1 CDS001609 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.24 C1CNCCSC1 SYX00228 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.2 CCN1CCCC(C1)Cl S443654 [0,1,0,1,0,0|1,0,0]=3 91 B9R1.2 CN1CCCC(C1)CBr CBR01438 [0,1,0,1,0,0|1,1,0]=4 92 B9R1.2 CN1CCNC(C1)CO CDS008722 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.2 CN1CCOC(C1)CN CBR01836 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.7 CCCN1CCC(C1)N CBR01729 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.8 ClCCN1CCCCC1 PH010519 [0,1,0,1,0,0|1,0,0]=3 96 B9R1.8 SCCN1CCOCC1 CDS010625 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.12 C=CCCN1CCCC1 S342858 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.12 NCCCN1CCCC1 CDS003189 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.12 NNCCN1CCCC1 PH017235 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.15 CC[C@@H]1CNCCN1C PH018883 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.15 CN1CCCCC1CBr CBR01705 [0,1,0,1,0,0|1,1,0]=4 102 B9R1.15 CN1CCCCC1CCl CBR00922 [0,1,0,1,0,0|1,0,0]=3 103 B9R1.33 CC1CCCN1CCO PH015834 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.48 CC1CN(CCCN1)C CBR00656 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.48 CC1CN(CCCN1)C PH019496 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.49 CN1CCCN(CC1)C S347000 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.49 CN1CCNC(=O)CC1 T298867 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.69 CC1CN(CCN1C)C S365289 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.69 C[C@H]1CN([C@H](CN1)C)C PH019511 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.11 O=C(CCl)N1CCCC1 OTV000117 [0,1,0,1,0,0|1,0,1]=4 111 B9R1.13 C=C(Cl)CN1CCCC1 PH012633 [0,1,0,1,0,0|1,0,1]=4 112 B9R1.13 CC(N)CN1CCCC1 CBR01743 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.13 CC(O)CN1CCCC1 S370576 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.66 CN1CCNC(C1)(C)C CBR00658 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.14 CCN1CCCC1CCl CBR01539 [0,1,0,1,0,0|1,0,0]=3 116 B9R1.14 CCN1CCC[C@H]1CO CBR02172 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.89 CCN1CCCNCC1 CBR02337 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.36 O=S1(=O)C[C@@H]([C@H](C1)Cl)Cl T294837 [0,1,0,1,0,0|2,0,0]=4 119 B9R2.39 [C@@H]12CCN(C1)C[C@H]2O PH007931 [0,0,0,2,0,0|2,0,0]=4 120 B9R2.39 [C@@H]12CN([C@@H](C1)CN2)C CDS013695 [0,0,0,2,0,0|2,0,0]=4 121 B9R2.68 C1CN2CCC(C2)N1 CBR01721 [0,0,0,2,0,0|2,0,0]=4 122 B9R2.3 C1CN2CCOC2O1 S445509 [0,0,0,2,0,0|2,0,0]=4