0 B7R0.4 CC(C)CCON=O SC-22768 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.4 CN(C)CCC=O SC-12823 [1,0,0,0,0,0|1,0,1]=3 2 B6R0.4 COCCN(C)C SC-21743 [1,0,0,0,0,0|1,0,2]=4 3 B6R0.4 CO\C=C\C(C)=O SC-71024 [1,0,0,0,0,0|1,0,2]=4 4 B6R0.6 CCCCON=O SC-70750 [1,0,0,0,0,0|1,0,2]=4 5 B6R0.6 C\C=C\CCCO SC-48265 [1,0,0,0,0,0|1,0,2]=4 6 B8R1.1 CC1=CC=C(C=O)N1 SC-97579 [0,0,0,1,0,0|2,0,1]=4 7 B8R1.1 CC1=CC=C(C=O)S1 SC-00934 [0,0,0,1,0,0|2,0,1]=4 8 B8R1.1 CC1=CNC(C=O)=N1 SC-52739 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.1 CC1=CSC(C=O)=C1 SC-51189 [0,0,0,1,0,0|2,0,1]=4 10 B8R1.1 CC1=CSC(C=O)=N1 SC-21023 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.4 CC1=CC(=O)NN=C1 SC-35661 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.4 CC1CC(=O)CCN1 SC-14913 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.4 CC1CC(=O)CCN1 SC-26346 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.4 CC1CC(=O)CCO1 SC-43658 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.4 CC1CCNC(=O)C1 SC-65553 [0,0,0,1,0,0|1,0,2]=4 16 B8R1.4 CN1CCCC(=O)C1 SC-88063 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.4 CN1CCNC(=O)C1 SC-43594 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.4 O=C1CCCC(=O)C1 SC-16085 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.19 CC1(C)CCOC1=O SC-15803 [0,0,0,1,0,0|0,0,2]=3 20 B5R0.1 C=COC(C)=O SC-79059 [2,0,0,0,0,0|2,0,0]=4 21 B5R0.1 CC(=O)CCO SC-65678 [2,0,0,0,0,0|1,0,1]=4 22 B5R0.1 CC(=O)\C=N/O SC-89466 [2,0,0,0,0,0|2,0,0]=4 23 B5R0.1 CC(=O)\C=N\O SC-68143 [2,0,0,0,0,0|2,0,0]=4 24 B5R0.1 CC(C)=CC#N SC-47932 [2,0,0,0,0,0|1,0,1]=4 25 B5R0.1 CC(C)=CC=O SC-00290 [2,0,0,0,0,0|0,0,0]=2 26 B5R0.1 CC(C)=CCBr SC-13678 [2,0,0,0,0,0|1,0,0]=3 27 B5R0.1 CC(C)=CCN SC-51952 [2,0,0,0,0,0|1,0,0]=3 28 B5R0.1 CC(C)=CCO SC-77150 [2,0,0,0,0,0|0,0,0]=2 29 B5R0.1 CN(C)CC=O SC-51643 [2,0,0,0,0,0|1,0,0]=3 30 B5R0.1 CN(C)CCO SC-87330 [2,0,0,0,0,0|1,0,1]=4 31 B5R0.1 C\C=C/C(C)=O SC-48085 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.2 C=CCN=C=O SC-43729 [2,0,0,0,0,0|1,0,1]=4 33 B5R0.2 CC#CCC=O SC-89818 [2,0,0,0,0,0|0,0,2]=4 34 B5R0.2 COCCC=O SC-85357 [2,0,0,0,0,0|1,0,1]=4 35 B5R0.2 C\C=C\OCC SC-89361 [2,0,0,0,0,0|1,0,1]=4 36 B5R0.2 O=CCCC=O SC-13455 [2,0,0,0,0,0|1,0,1]=4 37 B7R0.2 C\C(C=O)=C/N(C)C SC-93331 [1,1,0,0,0,0|1,0,1]=4 38 B7R0.3 COC(=O)CCC=O SC-47529 [1,1,0,0,0,0|1,0,1]=4 39 B7R0.6 CC(=O)OCC(C)C SC-25600 [1,1,0,0,0,0|0,0,1]=3 40 B7R0.6 CC(=O)\C=C\C(=O)O SC-94119 [1,1,0,0,0,0|1,0,1]=4 41 B7R0.6 CC(=O)\C=C\N(C)C SC-92543 [1,1,0,0,0,0|1,0,1]=4 42 B7R0.6 CC(C)CCC(=O)O SC-57917 [1,1,0,0,0,0|0,0,2]=4 43 B7R0.6 CC(C)OCC(=O)O SC-88240 [1,1,0,0,0,0|1,0,1]=4 44 B7R0.6 CN(C)CCC(=O)O SC-84721 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.6 CN(C)CCC(=O)O SC-98010 [1,1,0,0,0,0|1,0,1]=4 46 B7R0.6 CN(C)CCC(N)=O SC-89196 [1,1,0,0,0,0|1,0,1]=4 47 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [1,1,0,0,0,0|1,0,1]=4 48 B7R0.1 COCCOCC=O SC-99722 [1,1,0,0,0,0|1,0,1]=4 49 B9R0.1 C=C\C(C)=C\CC=C(C)C SC-20483 [0,2,0,0,0,0|2,0,0]=4 50 B9R0.1 CC(C)=CCCC(C)C=O SC-79180 [0,2,0,0,0,0|1,0,0]=3 51 B9R0.7 CC(C)=CCC(N)C(=O)O SC-22867 [0,2,0,0,0,0|1,0,0]=3 52 B9R0.56 CC(=O)OCC[N+](C)(C)C SC-46171 [0,2,0,0,0,0|1,0,1]=4 53 B9R0.56 CC(=O)OCC[N+](C)(C)C SC-94067 [0,2,0,0,0,0|1,0,1]=4 54 B7R1.2 CC1=CC(=O)CC1 SC-18727 [1,0,0,1,0,0|0,0,2]=4 55 B7R1.2 CC1=CC(=O)OC1 SC-25541 [1,0,0,1,0,0|0,0,1]=3 56 B7R1.2 CC1=COC(N)=N1 SC-44401 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.2 CC1CCC(=O)C1 SC-93748 [1,0,0,1,0,0|0,0,2]=4 58 B7R1.2 CC1CNC(=O)C1 SC-50248 [1,0,0,1,0,0|1,0,1]=4 59 B7R1.2 CC1COC(=O)C1 SC-60836 [1,0,0,1,0,0|0,0,1]=3 60 B7R1.2 CC1COC(=O)O1 SC-65189 [1,0,0,1,0,0|1,0,1]=4 61 B7R1.2 C[C@H]1COC(=O)N1 SC-51056 [1,0,0,1,0,0|1,0,1]=4 62 B7R1.2 C[C@H]1COC(=O)O1 SC-04943 [1,0,0,1,0,0|1,0,1]=4 63 B7R1.2 NC1COC(=O)C1 SC-34183 [1,0,0,1,0,0|1,0,1]=4 64 B7R1.2 N[C@@H]1COC(=O)C1 SC-71558 [1,0,0,1,0,0|1,0,1]=4 65 B7R1.2 O=C1C=C(O)CO1 SC-21646 [1,0,0,1,0,0|1,0,1]=4 66 B7R1.2 O=C1CCC(=O)C1 SC-15331 [1,0,0,1,0,0|1,0,1]=4 67 B7R1.2 O=C1CNC(=O)C1 SC-88883 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.2 O=C1COC(=O)C1 SC-86968 [1,0,0,1,0,0|1,0,0]=3 69 B7R1.2 O=C1COC(=O)N1 SC-49693 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [1,0,0,1,0,0|1,0,1]=4 71 B7R1.3 CC1=CCCCC1 SC-99243 [1,0,0,1,0,0|1,0,1]=4 72 B7R1.3 CC1=CCCNC1 SC-82898 [1,0,0,1,0,0|1,0,1]=4 73 B7R1.3 CC1=CCNCC1 SC-B8899 [1,0,0,1,0,0|1,0,1]=4 74 B7R1.14 CC1(C)COC=N1 SC-69344 [1,0,0,1,0,0|1,0,1]=4 75 B7R1.4 C=C1CCOC1=O SC-19579 [1,0,0,1,0,0|0,0,2]=4 76 B7R1.4 CC1=CCCC1=O SC-15856 [1,0,0,1,0,0|1,0,0]=3 77 B7R1.4 CC1CCOC1=O SC-20996 [1,0,0,1,0,0|0,0,2]=4 78 B9R1.53 CC(=O)OC1CC(=O)C1 SC-22301 [0,1,0,1,0,0|1,0,1]=4 79 B9R1.53 CC(=O)OC1CC(=O)N1 SC-20312 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.35 [C@@H]1(C(C)C)COC(=O)N1 SC-07436 [0,1,0,1,0,0|0,0,2]=4 81 B9R1.35 [C@H]1(C(C)C)COC(=O)N1 SC-01650 [0,1,0,1,0,0|0,0,2]=4