0 B7R0.6 CC(=O)CCC(C)C 2117-1-12 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.6 CC(C)CCC(C)O 2102-1-0C [0,0,0,0,0,0|3,0,0]=3 2 B7R0.6 CC(C)OCC(F)F 2107-3-7C [0,0,0,0,0,0|3,1,0]=4 3 B7R0.6 CC(F)COC(C)C 2107-3-6W [0,0,0,0,0,0|2,1,0]=3 4 B7R0.6 C[C@@H](O)CC[C@@H](C)O 2104-1-33 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.6 C[C@H](O)CC[C@H](C)O 2104-1-27 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.4 CC(C)CCCCl 1100-5-44 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.4 CC(C)NCCCl 3131-5-07 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.4 CC(C)OCCBr 2107-9-09 [1,0,0,0,0,0|2,1,0]=4 9 B6R0.4 CC(C)OCCCl 2107-5-0P [1,0,0,0,0,0|2,1,0]=4 10 B6R0.4 CCCCC(C)O 2102-1-07 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.4 CCCC[C@@H](C)N 3130-1-R0 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.4 CCCC[C@H](C)N 3130-1-S0 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.4 CCCC[C@H](C)O 2102-1-S0 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.4 CCCNC(C)C 3131-1-0E [1,0,0,0,0,0|2,0,0]=3 15 B6R0.4 CCCSC(C)=O 6166-1-0A [1,0,0,0,0,0|2,0,1]=4 16 B6R0.4 CCOCC(C)F 2107-3-8K [1,0,0,0,0,0|2,1,0]=4 17 B8R0.9 CCC(C)CCC(C)C 1100-1-26 [0,1,0,0,0,0|2,0,0]=3 18 B8R0.9 CCC(C)OCC(C)F 2107-3-4M [0,1,0,0,0,0|2,1,0]=4 19 B8R0.9 CCC(O)CCC(C)C 2102-1-0B [0,1,0,0,0,0|3,0,0]=4 20 B8R0.23 CC(C)NC(=O)C(C)C 4148-1-20 [0,1,0,0,0,0|2,0,0]=3 21 B8R0.29 CC(=O)CSC(C)(C)C 6166-1-03 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.29 CC(C)OCC(C)(F)F 2107-3-9C [0,1,0,0,0,0|2,1,0]=4 23 B8R0.29 CC(F)COC(C)(C)C 2107-3-5H [0,1,0,0,0,0|2,1,0]=4 24 B8R0.29 CN(C)\N=C\C(C)(C)C 3142-1-01 [0,1,0,0,0,0|3,0,0]=4 25 B8R0.29 C[C@@H](O)COC(C)(C)C 2107-3-R0 [0,1,0,0,0,0|2,1,0]=4 26 B8R0.29 C[C@H](O)COC(C)(C)C 2107-1-S0 [0,1,0,0,0,0|2,1,0]=4 27 B8R1.3 CC1CCC(Br)CC1 1200-9-24 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.3 CC1CCC(N)CC1 3233-5-06 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.3 CC1CCC(O)CC1 2202-1-02 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.3 CC1COC(C)CN1 4H56-1-0PU [0,0,0,1,0,0|2,1,0]=4 31 B8R1.3 CC1SCC(O)CS1 6H02-1-03 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.3 C[C@H]1CC[C@@H](N)CC1 3233-5-01 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.3 C[C@H]1CC[C@H](O)CC1 2202-1-17 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.23 CC(C)N1CC(N)C1 3H30-5-37 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.23 CC(C)N1CC(O)C1 4H01-5-18 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.23 CC(C)N1CC(O)C1 4H56-1-NV [0,0,0,1,0,0|3,0,0]=4 37 B6R0.2 CC(C)CC(C)Cl 1100-5-09 [0,0,0,0,1,0|2,0,0]=3 38 B6R0.2 CC(C)NC(C)C 3131-1-X2 [0,0,0,0,1,0|1,0,0]=2 39 B6R0.2 CC(C)SC(=O)Cl 6166-5-00 [0,0,0,0,1,0|2,0,1]=4 40 B6R0.2 CC(Cl)CN(C)C 3132-5-04 [0,0,0,0,1,0|3,0,0]=4 41 B6R0.2 CC(N)CN(C)C 3132-5-00 [0,0,0,0,1,0|3,0,0]=4 42 B6R0.2 C[C@H](O)CN(C)C 4156-1-SH [0,0,0,0,1,0|3,0,0]=4 43 B6R0.2 C[C@H](O)C[C@H](C)O 2104-1-29 [0,0,0,0,1,0|3,0,0]=4 44 B8R0.28 CC(C)CNCC(C)C 3133-5-09 [0,0,0,0,0,1|2,0,0]=3 45 B8R0.28 CC(C)COCC(C)C 2107-1-0D [0,0,0,0,0,1|1,1,0]=3 46 B8R0.28 CC(C)C[AlH4]CC(C)C 9113-1-01 [0,0,0,0,0,1|2,0,0]=3 47 B5R0.1 CC(C)CCBr 1100-9-16 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.1 CCCC(C)Cl 1100-5-88 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.1 CCCC(C)F 1100-3-46 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.1 CCCC(C)N 3130-1-X3 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.1 CCC[C@H](C)N 3130-5-00 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.1 CCSC(C)=O 6166-1-0D [2,0,0,0,0,0|1,0,1]=4 53 B5R0.2 CCSCCN 7166-1-X2 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.2 CCSCCN 7166-5-00 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.2 CCSCCO 6166-1-00 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.2 CC\C=C/CC 1300-1-Z1 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.2 CCC(=O)CC(C)C 2117-1-0D [1,1,0,0,0,0|2,0,0]=4 58 B7R0.2 CCC(C)CC(C)C 1100-1-24 [1,1,0,0,0,0|2,0,0]=4 59 B7R0.3 CCCCC(C)CC 1100-1-00 [1,1,0,0,0,0|2,0,0]=4 60 B7R0.3 CCCNC(C)CC 3131-1-0D [1,1,0,0,0,0|2,0,0]=4 61 B7R0.4 CC(C)NCCCO 4156-1-3T [1,1,0,0,0,0|2,0,0]=4 62 B7R0.4 CC(C)OCCCCl 2107-5-0Y [1,1,0,0,0,0|1,1,0]=4 63 B7R0.4 CC(C)OCCCF 2107-3-6X [1,1,0,0,0,0|1,1,0]=4 64 B7R0.4 CNCCNC(C)C 3131-1-20 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.4 COCCNC(C)C 4156-1-3P [1,1,0,0,0,0|2,0,0]=4 66 B7R0.5 CCCC(=O)C(C)C 2117-1-0L [1,1,0,0,0,0|2,0,0]=4 67 B7R0.8 CC(C)(C)SCCN 7166-1-01 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.8 CCCCC(C)(C)O 2103-1-09 [1,1,0,0,0,0|2,0,0]=4 69 B7R0.9 CC(C)CC(C)(C)C 1100-1-35 [0,1,0,0,1,0|1,0,0]=3 70 B7R0.9 CN(C)CC(C)(C)N 3132-1-08 [0,1,0,0,1,0|2,0,0]=4 71 B7R0.9 CN(C)CC(C)(C)O 4147-1-0A [0,1,0,0,1,0|2,0,0]=4 72 B7R0.9 C[C@@H](O)CC(C)(C)O 2103-1-R0 [0,1,0,0,1,0|2,0,0]=4 73 B7R0.9 C[C@H](O)CC(C)(C)O 2103-1-S0 [0,1,0,0,1,0|2,0,0]=4 74 B7R0.16 CC(C)C(=O)C(C)Br 2117-9-0B [0,1,0,0,1,0|2,0,0]=4 75 B7R0.16 CC(C)C(=O)C(C)C 2117-1-17 [0,1,0,0,1,0|1,0,0]=3 76 B7R0.16 CC(C)C(=O)N(C)C 4148-1-1A [0,1,0,0,1,0|2,0,0]=4 77 B9R0.53 CB(OC(C)C)OC(C)C 6160-1-10 [0,1,0,0,0,1|0,2,0]=4 78 B9R0.53 CC(C)CC(O)CC(C)C 2102-1-0A [0,1,0,0,0,1|2,0,0]=4 79 B9R0.53 CC(C)NC(=S)NC(C)C 7167-1-07 [0,1,0,0,0,1|2,0,0]=4 80 B9R0.56 CC(C)CCCC(C)(C)Cl 1100-5-43 [0,1,0,0,0,1|2,0,0]=4 81 B9R0.39 CC(C)N[C@H](CO)C(C)C 4156-1-3W [0,2,0,0,0,0|2,0,0]=4 82 B9R0.77 CC(C)(C)SSC(C)(C)C 5166-1-03 [0,2,0,0,0,0|0,0,0]=2 83 B9R0.77 CC(C)(C)\N=N\C(C)(C)C 3142-1-00 [0,2,0,0,0,0|2,0,0]=4 84 B9R0.77 CC(C)(O)C#CC(C)(C)O 2504-1-00 [0,2,0,0,0,0|2,0,0]=4 85 B9R0.77 CC(C)(O)CCC(C)(C)O 2104-1-26 [0,2,0,0,0,0|2,0,0]=4 86 B9R0.77 CC(C)(O)\C=C\C(C)(C)O 2304-1-00 [0,2,0,0,0,0|2,0,0]=4 87 B7R1.3 CC1CCCNC1 3H31-1-74 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.3 CC1SCCCS1 5H66-1-09 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.3 C[C@@H]1CCCCN1 3H31-1-R5 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.3 C[C@H]1CCCCN1 3H31-5-SH [1,0,0,1,0,0|2,0,0]=4 91 B7R1.14 CC1(C)CCCN1 3H33-5-0Y [1,0,0,1,0,0|2,0,0]=4 92 B7R1.14 CC1(C)CCNC1 3H31-5-2F [1,0,0,1,0,0|2,0,0]=4 93 B7R1.14 CC1(C)NCCS1 7H70-5-09 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.20 CC(C)NC1CC1 3233-5-03 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.1 CC1CCC(CO)CC1 2201-1-0E [0,1,0,1,0,0|2,0,0]=4 96 B9R1.1 CNC1CCC(C)CC1 3231-1-0E [0,1,0,1,0,0|2,0,0]=4 97 B9R1.10 CC1CNC(C)(C)CN1 3H31-1-7A [0,1,0,1,0,0|2,0,0]=4 98 B9R1.69 CC1CCC(C)C(O)C1 2202-1-0P [0,1,0,1,0,0|2,0,0]=4 99 B9R1.69 C[C@H]1CN(C)[C@H](C)CN1 4H22-1-32 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.69 C[C@H]1CN[C@H](C)CN1C 4H22-1-33 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.36 CC1CC(C)(C)CC1=O 2217-1-1J [0,1,0,1,0,0|2,0,0]=4 102 B9R1.38 CC1CC(=O)C(C)(C)C1 2217-1-1L [0,1,0,1,0,0|2,0,0]=4 103 B9R1.112 CC(C)C(C)NC1CC1 3231-1-0F [0,1,0,1,0,0|2,0,0]=4 104 B5R0.5 CC(C)C(C)C 1100-1-28 [0,0,0,0,2,0|0,0,0]=2 105 B5R0.5 CC(C)C(C)N 3130-1-06 [0,0,0,0,2,0|1,0,0]=3 106 B5R0.5 CC(F)C(C)I 1100-K-80 [0,0,0,0,2,0|2,0,0]=4 107 B9R0.55 CC(C)NCCNC(C)C 3131-1-16 [0,0,0,0,0,2|2,0,0]=4