0 B6R0.4 C=CCCC(C)Br 1300-9-21 [1,0,0,0,0,0|2,0,1]=4 1 B6R0.4 CC(C)CCON 4147-5-07 [1,0,0,0,0,0|3,0,0]=4 2 B8R0.9 C=CC(=O)OCC(C)O 2124-1-02 [0,1,0,0,0,0|1,0,1]=3 3 B8R0.9 CCC(=O)NCC(C)C 4148-1-0W [0,1,0,0,0,0|1,0,0]=2 4 B8R0.23 CC(=O)C(=O)OC(C)C 2129-1-0H [0,1,0,0,0,0|2,0,0]=3 5 B8R0.23 CC(C)C(N)CN(C)C 3132-1-0B [0,1,0,0,0,0|3,0,0]=4 6 B8R0.23 CC(C)NC(=O)C(=O)O 4157-1-54 [0,1,0,0,0,0|3,0,0]=4 7 B8R0.23 CC(C)[C@H](N)CN(C)C 3132-5-S1 [0,1,0,0,0,0|3,0,0]=4 8 B8R0.29 CC(C)(S)CCC(=O)O 6161-1-10 [0,1,0,0,0,0|2,0,0]=3 9 B8R1.3 N[C@H]1CCC(=O)NC1 4H48-5-SH [0,0,0,1,0,0|2,0,0]=3 10 B8R1.3 O=C1CCC(Br)CC1 2217-9-01 [0,0,0,1,0,0|2,0,0]=3 11 B8R1.3 O=C1CCC(F)CC1 2217-3-06 [0,0,0,1,0,0|2,0,0]=3 12 B8R1.23 CC(=O)C1CC(O)C1 2229-1-0T [0,0,0,1,0,0|2,0,0]=3 13 B8R1.23 CC(C)C1CC(=O)N1 4H48-1-019 [0,0,0,1,0,0|1,0,0]=2 14 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 2221-1-30 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 4257-1-27 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.23 O=C(O)C1CC(Cl)C1 2221-5-05 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 2221-3-Z2 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 2221-5-E0 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 2221-3-E2 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 2229-1-E2 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.23 O=C1CC(C(F)F)C1 2217-3-01 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.35 CC(C)CNC1CC1 3231-1-08 [0,0,0,1,0,0|2,0,1]=4 23 B6R0.2 CC(=O)OC(C)Cl 2123-5-21 [0,0,0,0,1,0|1,0,0]=2 24 B6R0.2 C[C@@H](N)CN(C)C 3132-5-R0 [0,0,0,0,1,0|2,0,1]=4 25 B6R0.2 C[C@H](N)CN(C)C 3132-5-S0 [0,0,0,0,1,0|2,0,1]=4 26 B5R0.1 C=CCC(C)N 3230-5-0A [2,0,0,0,0,0|1,0,1]=4 27 B5R0.1 NCCC(N)=O 4148-5-0C [2,0,0,0,0,0|2,0,0]=4 28 B7R0.4 CNCCOC(C)=O 4133-5-03 [1,1,0,0,0,0|0,0,0]=2 29 B7R0.4 O=C(Cl)OCCCF 2123-7-29 [1,1,0,0,0,0|1,0,0]=3 30 B7R0.4 O=C(O)CCCCO 2120-1-00 [1,1,0,0,0,0|2,0,0]=4 31 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [1,1,0,0,0,0|1,0,0]=3 32 B7R0.16 CC(C)C(F)C(=O)O 2121-3-0K [0,1,0,0,1,0|1,0,0]=3 33 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 4157-1-44 [0,1,0,0,1,0|2,0,0]=4 34 B9R0.11 CC(C)CC(C)(O)C(=O)O 2129-1-0Z [0,2,0,0,0,0|2,0,0]=4 35 B7R1.2 CC1COC(=O)N1 4H56-1-0P2 [1,0,0,1,0,0|1,0,0]=3 36 B7R1.2 NC1CNC(=O)C1 4H48-1-6A [1,0,0,1,0,0|2,0,0]=4 37 B7R1.2 N[C@@H]1CNC(=O)C1 4H48-5-S0 [1,0,0,1,0,0|2,0,0]=4 38 B7R1.3 CN1CC=CCC1 3H33-5-1E [1,0,0,1,0,0|2,0,0]=4 39 B7R1.10 COC1CC(=O)C1 2217-1-0B [1,0,0,1,0,0|2,0,0]=4 40 B7R1.10 O=C1CC(CCl)C1 2217-5-07 [1,0,0,1,0,0|2,0,0]=4 41 B7R1.12 CC(C)C1ON1C 4H56-1-03P [1,0,0,1,0,0|1,0,0]=3 42 B7R1.12 CC1CC1C(N)=O 4248-1-12 [1,0,0,1,0,0|2,0,0]=4 43 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 2221-1-31 [1,0,0,1,0,0|2,0,0]=4 44 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 2221-1-12 [1,0,0,1,0,0|2,0,0]=4 45 B7R1.17 CC1(C)CCC1=O 2217-1-0L [1,0,0,1,0,0|1,0,0]=3 46 B7R1.16 CC1(C)CC(=O)C1 2217-1-0K [0,0,0,1,1,0|0,0,0]=2 47 B7R1.16 CC1(C)CC(N)C1 3230-5-0E [0,0,0,1,1,0|1,0,1]=4 48 B7R1.16 CC1(C)CC(O)C1 2202-1-0F [0,0,0,1,1,0|0,0,2]=4 49 B7R1.16 CC1(N)CC(=O)C1 4256-5-0F [0,0,0,1,1,0|1,0,0]=3 50 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 4H56-5-W8 [0,0,0,1,0,1|2,0,0]=4 51 B9R1.53 CC(=O)NC1CC(N)C1 4248-5-08 [0,0,0,1,0,1|2,0,0]=4 52 B9R1.85 O=C(O)CCNC1CC1 4257-1-33 [0,0,0,1,0,1|2,0,0]=4 53 B9R1.166 CC1(C)CN[C@@H]1C(=O)O 4H21-1-SA [0,0,0,1,0,1|2,0,0]=4 54 B9R1.10 O=C1CCC(F)(F)CN1 4H48-3-3G [0,1,0,1,0,0|2,0,0]=4 55 B9R1.82 COC(=O)C1CC(Br)C1 2223-9-05 [0,1,0,1,0,0|2,0,0]=4 56 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 2223-9-00 [0,1,0,1,0,0|2,0,0]=4 57 B9R1.82 O=C(CCl)N1CC(O)C1 4H48-5-DZ [0,1,0,1,0,0|2,0,0]=4 58 B9R1.95 COC1CC(C(=O)O)C1 2221-1-37 [0,1,0,1,0,0|2,0,0]=4 59 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 2221-1-E0 [0,1,0,1,0,0|2,0,0]=4 60 B9R1.95 O=C(O)C1CC(CO)C1 2229-1-88 [0,1,0,1,0,0|2,0,0]=4 61 B9R1.112 NC(CC1CC1)C(=O)O 4257-1-26 [0,1,0,1,0,0|2,0,0]=4 62 B9R1.112 N[C@@H](CC1CC1)C(=O)O 4257-1-S7 [0,1,0,1,0,0|2,0,0]=4 63 B9R1.112 N[C@H](CC1CC1)C(=O)O 4257-1-R7 [0,1,0,1,0,0|2,0,0]=4 64 B9R1.112 O=C(O)[C@H](O)CC1CC1 2229-1-R4 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.164 CC(=O)C1CC(F)(F)C1 2217-3-0C [0,1,0,1,0,0|2,0,0]=4 66 B9R1.164 CC1(C)C=C(C(=O)O)C1 2421-1-09 [0,1,0,1,0,0|2,0,0]=4 67 B9R1.164 CC1(F)CC(C(=O)O)C1 2221-3-21 [0,1,0,1,0,0|2,0,0]=4 68 B9R1.164 CC1(O)CC(C(=O)O)C1 2229-1-57 [0,1,0,1,0,0|2,0,0]=4 69 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 2221-3-Z1 [0,1,0,1,0,0|2,0,0]=4 70 B9R1.164 C[C@]1(F)C[C@H](C(=O)O)C1 2221-3-E1 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.51 CC(C)(C)C1CC(=O)C1 2217-1-0M [0,1,0,1,0,0|1,0,0]=3 72 B9R2.145 NC(=O)C12CC(C1)C2 4248-1-27 [0,0,0,2,0,0|2,0,0]=4 73 B9R2.145 O=C(O)C12CC(C1)C2 2221-1-35 [0,0,0,2,0,0|2,0,0]=4 74 B9R2.139 O=C1CC2(CC2)CO1 2H25-1-2H [0,0,0,2,0,0|0,0,0]=2 75 B9R2.143 O=C(O)C1CC12CC2 2221-1-46 [0,0,0,2,0,0|2,0,0]=4 76 B5R0.5 CC(C)C(C)O 2102-1-03 [0,0,0,0,2,0|0,0,2]=4 77 B9R0.55 CC(=O)NCCCN(C)C 4148-1-50 [0,0,0,0,0,2|2,0,0]=4