0 B8R0.28 C=C(C)CCCC(=O)O SC-31519 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.28 CC(C)C\C=C\C(=O)O SC-96534 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.4 C=C(C)CCCCBr SC-31361 [1,0,0,0,0,0|1,0,2]=4 3 B7R0.4 C=C(C)CCCCO SC-32201 [1,0,0,0,0,0|0,0,2]=3 4 B7R0.4 CCC\C=C\C(=O)O SC-39942 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.4 CN(C)CCCCBr SC-48986 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.4 CN(C)CCCCN SC-54232 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.4 CNCCCN(C)C SC-95620 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.4 COC\C=C/C(C)=O SC-66315 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 C\C=C\CCC(=O)O SC-21245 [1,0,0,0,0,0|1,0,1]=3 10 B9R0.1 C=C\C(C)=C\CC=C(C)C SC-20483 [0,1,0,0,0,0|1,0,2]=4 11 B9R0.1 CC(C)=CCCC(C)C=O SC-79180 [0,1,0,0,0,0|0,0,1]=2 12 B9R0.1 CC(C)CCCC(C)NN SC-38599 [0,1,0,0,0,0|1,0,2]=4 13 B9R0.7 CC(=O)C(=O)OCC(C)C SC-26296 [0,1,0,0,0,0|3,0,0]=4 14 B9R0.7 CC(C)=CCC(N)C(=O)O SC-22867 [0,1,0,0,0,0|1,0,1]=3 15 B9R1.35 CC(=O)N1CCC(O)C1 SC-00079 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.35 CC(=O)N1CC[C@@H](O)C1 SC-53670 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 SC-48116 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.66 CC1(C)CC(N)CCO1 SC-A4709 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.66 CC1(C)CCCC(=O)C1 SC-67598 [0,0,0,1,0,0|2,0,1]=4 20 B7R0.6 C=C(C)CCC(=O)O SC-31541 [0,0,0,0,1,0|1,0,2]=4 21 B7R0.6 CC(C)CCC(=O)O SC-57917 [0,0,0,0,1,0|1,0,2]=4 22 B7R0.6 CC(C)CCC(C)O SC-53086 [0,0,0,0,1,0|0,0,1]=2 23 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [0,0,0,0,1,0|3,0,0]=4 24 B7R0.6 CC(O)CCC(C)O SC-92842 [0,0,0,0,1,0|1,0,1]=3 25 B7R0.6 CN(C)CCC(=O)O SC-84721 [0,0,0,0,1,0|2,0,1]=4 26 B7R0.6 CN(C)CCC(=O)O SC-84792 [0,0,0,0,1,0|2,0,1]=4 27 B7R0.6 CN(C)CCC(=O)O SC-98010 [0,0,0,0,1,0|2,0,1]=4 28 B7R0.6 CN(C)CCN(C)C SC-98070 [0,0,0,0,1,0|3,0,0]=4 29 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [0,0,0,0,1,0|3,0,0]=4 30 B7R0.6 C[C@H](O)CC[C@H](C)O SC-03635 [0,0,0,0,1,0|1,0,1]=3 31 B6R0.4 C=C(C)CCCBr SC-32900 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.4 C=C(C)CCCO SC-14313 [2,0,0,0,0,0|0,0,1]=3 33 B6R0.4 C=C(C)CNCC SC-47240 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.4 C=CCCC(=O)O SC-25836 [2,0,0,0,0,0|1,0,1]=4 35 B6R0.4 C=COCC(C)C SC-19102 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.4 CC(=O)CCCBr SC-91341 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.4 CC(=O)OCCO SC-95931 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.4 CC(C)=CCCBr SC-A5828 [2,0,0,0,0,0|1,0,0]=3 39 B6R0.4 CC(C)CCCO SC-67391 [2,0,0,0,0,0|0,0,1]=3 40 B6R0.4 CCCCC(=O)Cl SC-46867 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.4 CCCNC(C)C SC-50047 [2,0,0,0,0,0|1,0,1]=4 42 B6R0.4 CN(C)CCCBr SC-12824 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.4 CN(C)CCCBr SC-48972 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.4 CN(C)CCCCl SC-18516 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.4 CN(C)CCCCl SC-53120 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.4 CNCCN(C)C SC-29103 [2,0,0,0,0,0|2,0,0]=4 47 B6R0.4 COCCN(C)C SC-21743 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.4 C\C=C\CC(=O)O SC-10968 [2,0,0,0,0,0|1,0,1]=4 49 B6R0.4 N=C(N)CCCO SC-70213 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.6 C=CCCCCO SC-44461 [2,0,0,0,0,0|0,0,2]=4 51 B6R0.6 C=COCCCC SC-22799 [2,0,0,0,0,0|1,0,1]=4 52 B6R0.6 CCCCCC=O SC-06151 [2,0,0,0,0,0|1,0,1]=4 53 B6R0.6 CCCCNCC SC-47234 [2,0,0,0,0,0|1,0,1]=4 54 B6R0.6 CCC\C=C\C=O SC-25240 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.6 CCOCCCO SC-00354 [2,0,0,0,0,0|1,0,1]=4 56 B6R0.6 CNCCCCO SC-13108 [2,0,0,0,0,0|1,0,1]=4 57 B6R0.6 C\C=C\C=C\CO SC-21408 [2,0,0,0,0,0|0,0,2]=4 58 B6R0.6 C\C=C\CCCO SC-48265 [2,0,0,0,0,0|0,0,0]=2 59 B8R0.5 C=CC[C@@H](O)C=C(C)C SC-31319 [1,1,0,0,0,0|0,0,2]=4 60 B8R0.5 C=CC[C@H](O)C=C(C)C SC-31274 [1,1,0,0,0,0|0,0,2]=4 61 B8R0.5 CCOC(=O)C=C(C)C SC-49947 [1,1,0,0,0,0|1,0,1]=4 62 B8R0.6 C=CCCC[C@@H](C)CO SC-31639 [1,1,0,0,0,0|0,0,2]=4 63 B8R0.6 C=CCCC[C@H](C)CO SC-31524 [1,1,0,0,0,0|0,0,2]=4 64 B8R0.7 CC(C)CCCCCO SC-51101 [1,1,0,0,0,0|0,0,2]=4 65 B8R0.7 CC(C)OCCCCO SC-82574 [1,1,0,0,0,0|0,0,2]=4 66 B8R0.7 CCCCCCC(C)O SC-47133 [1,1,0,0,0,0|0,0,2]=4 67 B8R0.7 COCCCOC(C)=O SC-26578 [1,1,0,0,0,0|2,0,0]=4 68 B8R0.8 CCCCC(=O)C(=O)[O-] SC-94857 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.9 CC(C)NCC(O)CO SC-22206 [1,1,0,0,0,0|1,0,1]=4 70 B8R0.23 C=C(CC(C)C)C(C)=O SC-A2921 [0,1,0,0,1,0|2,0,0]=4 71 B8R0.23 CC(=O)CC(O)[C@H](C)N SC-76554 [0,1,0,0,1,0|2,0,0]=4 72 B10R0.3 CC(C)=CCC[C@H](C)CCO SC-49208 [0,2,0,0,0,0|0,0,0]=2 73 B10R0.65 C=CC(C)(O)CCC=C(C)C SC-74998 [0,2,0,0,0,0|0,0,0]=2 74 B10R0.77 COC(CCCN(C)C)OC SC-18350 [0,2,0,0,0,0|1,0,1]=4 75 B10R0.82 C=C(C)C(=O)OCC(O)CO SC-20323 [0,2,0,0,0,0|1,0,1]=4 76 B8R1.1 CN1CCC(CO)C1 SC-48010 [1,0,0,1,0,0|1,0,1]=4 77 B8R1.1 CN1CC[C@@H](CO)C1 SC-A3243 [1,0,0,1,0,0|1,0,1]=4 78 B8R1.1 O=C1CC(CO)CN1 SC-66045 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.4 CC1CC(O)CCO1 SC-15639 [1,0,0,1,0,0|1,0,1]=4 80 B8R1.4 CC1CCNC(=O)C1 SC-65553 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.4 CC1CCNC(C)C1 SC-05916 [1,0,0,1,0,0|1,0,1]=4 82 B8R1.4 O=C1CC(O)CCN1 SC-14921 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.4 O=C1CC(O)CCN1 SC-26449 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.6 CN1CC(CCO)C1 SC-A2928 [1,0,0,1,0,0|1,0,1]=4 85 B8R1.7 C=C(C)C1=NCCO1 SC-47290 [1,0,0,1,0,0|1,0,1]=4 86 B8R1.7 CC(=O)C1CCCC1 SC-34558 [1,0,0,1,0,0|1,0,1]=4 87 B8R1.7 CC(=O)C1CCCC1 SC-69830 [1,0,0,1,0,0|1,0,1]=4 88 B8R1.7 CC(O)C1CCCC1 SC-22091 [1,0,0,1,0,0|0,0,2]=4 89 B8R1.22 O=C1C=CCCCC1 SC-99582 [1,0,0,1,0,0|1,0,1]=4 90 B8R1.22 OC1CCCNCC1 SC-83100 [1,0,0,1,0,0|1,0,1]=4 91 B8R1.35 CC(=O)OCC1CO1 SC-74435 [1,0,0,1,0,0|2,0,0]=4 92 B8R1.72 CC1(O)CCOCC1 SC-21971 [1,0,0,1,0,0|1,0,1]=4 93 B8R1.3 CC1=CCC(=O)CC1 SC-83877 [0,0,0,1,1,0|0,0,2]=4 94 B8R1.3 CC1CCC(=O)CC1 SC-27685 [0,0,0,1,1,0|2,0,0]=4 95 B8R1.3 CC1CCC(=S)CC1 SC-42109 [0,0,0,1,1,0|2,0,0]=4 96 B8R1.3 CC1CCC(N)CC1 SC-47816 [0,0,0,1,1,0|1,0,1]=4 97 B8R1.3 CC1CCC(N)CC1 SC-54542 [0,0,0,1,1,0|1,0,1]=4 98 B8R1.3 CC1COC(C)CN1 SC-93090 [0,0,0,1,1,0|1,0,1]=4 99 B8R1.3 CN1CCC(Cl)CC1 SC-05324 [0,0,0,1,1,0|2,0,0]=4 100 B8R1.3 C[C@@H]1CC[C@@H](C)NC1 SC-49594 [0,0,0,1,1,0|1,0,1]=4 101 B8R1.3 C[C@H]1CC[C@@H](N)CC1 SC-68012 [0,0,0,1,1,0|1,0,1]=4 102 B8R1.3 C[C@H]1CN[C@H](C)CO1 SC-42238 [0,0,0,1,1,0|1,0,1]=4 103 B8R1.3 NC1CCC(=O)CC1 SC-51421 [0,0,0,1,1,0|2,0,0]=4 104 B8R1.3 NC1CCC(=O)CC1 SC-94303 [0,0,0,1,1,0|2,0,0]=4 105 B8R1.3 NC1CCC(O)CC1 SC-26489 [0,0,0,1,1,0|1,0,1]=4 106 B8R1.3 NC1CCC(O)CC1 SC-43558 [0,0,0,1,1,0|1,0,1]=4 107 B8R1.3 NC1CCC(O)CC1 SC-45530 [0,0,0,1,1,0|1,0,1]=4 108 B8R1.3 NN1CCC(O)CC1 SC-14796 [0,0,0,1,1,0|2,0,0]=4 109 B8R1.3 N[C@H]1CC[C@H](O)CC1 SC-03065 [0,0,0,1,1,0|1,0,1]=4 110 B8R1.3 N[C@H]1CC[C@H](O)CC1 SC-21292 [0,0,0,1,1,0|1,0,1]=4 111 B8R1.3 O=C1CCC(Br)CC1 SC-97780 [0,0,0,1,1,0|2,0,0]=4 112 B8R1.3 O=C1CCC(O)CC1 SC-22101 [0,0,0,1,1,0|1,0,0]=3 113 B8R1.3 O=C1CCC(O)CN1 SC-14920 [0,0,0,1,1,0|2,0,0]=4 114 B8R1.3 O=C1CC[C@@H](O)CN1 SC-69872 [0,0,0,1,1,0|2,0,0]=4 115 B8R1.3 O=C1CC[C@H](O)CN1 SC-69873 [0,0,0,1,1,0|2,0,0]=4 116 B8R1.3 O[C@H]1CC[C@@H](O)CC1 SC-91868 [0,0,0,1,1,0|1,0,1]=4 117 B8R1.3 O[C@H]1CC[C@H](O)CC1 SC-51814 [0,0,0,1,1,0|1,0,1]=4 118 B8R1.23 CC(=O)N1CC(O)C1 SC-93602 [0,0,0,1,1,0|2,0,0]=4 119 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SC-96294 [0,0,0,1,1,0|2,0,0]=4 120 B10R1.113 CC(=O)N1CCC[C@H](O)C1 SC-88350 [0,0,0,1,0,1|1,0,1]=4 121 B10R1.13 CC(=O)N1CCC(O)CC1 SC-15455 [0,1,0,1,0,0|2,0,0]=4 122 B10R1.13 CC(C)N1CCC(O)CC1 SC-22824 [0,1,0,1,0,0|1,0,1]=4 123 B10R1.13 CN(C)C1CCC(O)CC1 SC-00462 [0,1,0,1,0,0|1,0,1]=4 124 B10R1.14 COC(=O)C1CCC(O)C1 SC-A3344 [0,1,0,1,0,0|1,0,1]=4 125 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 SC-84077 [0,1,0,1,0,0|1,0,1]=4 126 B6R0.2 CC(=O)\C=C(\C)O SC-20333 [0,0,0,0,2,0|1,0,1]=4 127 B6R0.2 CC(=O)\C=C(\C)O SC-67757 [0,0,0,0,2,0|1,0,1]=4 128 B6R0.2 CC(C)=CC(=O)O SC-16257 [0,0,0,0,2,0|1,0,1]=4 129 B6R0.2 CC(C)CC(C)Br SC-26522 [0,0,0,0,2,0|1,0,1]=4 130 B6R0.2 CC(O)CC(=O)[O-] SC-85388 [0,0,0,0,2,0|2,0,0]=4 131 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [0,0,0,0,2,0|2,0,0]=4 132 B6R0.2 C[C@H](O)C[C@H](C)O SC-06528 [0,0,0,0,2,0|1,0,1]=4