0 B6R0.4 C=CCCC(C)Br 1300-9-21 [1,0,0,0,0,0|2,0,0]=3 1 B6R0.4 CC(C)CCON 4147-5-07 [1,0,0,0,0,0|2,0,0]=3 2 B6R0.4 CN(C)CCCBr 3132-9-02 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.4 O=C(O)\C=C\CCl 2321-5-03 [1,0,0,0,0,0|1,0,2]=4 4 B8R0.9 C=CC(=O)OCC(C)O 2124-1-02 [0,1,0,0,0,0|3,0,0]=4 5 B8R0.9 CCC(=O)NCC(C)C 4148-1-0W [0,1,0,0,0,0|2,0,0]=3 6 B8R0.23 C=C(C)C[C@H](N)C(=O)O 4357-1-S3 [0,1,0,0,0,0|0,0,2]=3 7 B8R0.23 CC(=O)C(=O)OC(C)C 2129-1-0H [0,1,0,0,0,0|2,0,1]=4 8 B8R0.23 CC(C)C(N)CN(C)C 3132-1-0B [0,1,0,0,0,0|3,0,0]=4 9 B8R0.23 CC(C)NC(=O)C(=O)O 4157-1-54 [0,1,0,0,0,0|1,0,1]=3 10 B8R0.23 CC(C)[C@H](N)CN(C)C 3132-5-S1 [0,1,0,0,0,0|3,0,0]=4 11 B8R0.29 CC(C)(S)CCC(=O)O 6161-1-10 [0,1,0,0,0,0|0,0,0]=1 12 B8R0.29 CS(C)(=O)=NCC(=O)O 8169-1-0A [0,1,0,0,0,0|2,0,0]=3 13 B8R1.3 N[C@H]1CCC(=O)NC1 4H48-5-SH [0,0,0,1,0,0|2,0,0]=3 14 B8R1.3 O=C1CCC(Br)CC1 2217-9-01 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.3 O=C1CCC(F)CC1 2217-3-06 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.23 CC(=O)C1CC(O)C1 2229-1-0T [0,0,0,1,0,0|2,0,0]=3 17 B8R1.23 CC(C)C1CC(=O)N1 4H48-1-019 [0,0,0,1,0,0|1,0,0]=2 18 B8R1.23 CN(C)C1CC(O)C1 4256-1-0M [0,0,0,1,0,0|2,0,1]=4 19 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 2221-1-30 [0,0,0,1,0,0|0,0,0]=1 20 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 4257-1-27 [0,0,0,1,0,0|1,0,0]=2 21 B8R1.23 O=C(O)C1CC(Cl)C1 2221-5-05 [0,0,0,1,0,0|1,0,0]=2 22 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 2221-3-Z2 [0,0,0,1,0,0|1,0,0]=2 23 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 2221-5-E0 [0,0,0,1,0,0|1,0,0]=2 24 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 2221-3-E2 [0,0,0,1,0,0|1,0,0]=2 25 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 2229-1-E2 [0,0,0,1,0,0|1,0,0]=2 26 B8R1.23 O=C1CC(C(F)F)C1 2217-3-01 [0,0,0,1,0,0|3,0,0]=4 27 B6R0.2 CC(=O)OC(C)Cl 2123-5-21 [0,0,0,0,1,0|3,0,0]=4 28 B5R0.1 C=CCC(C)N 3230-5-0A [2,0,0,0,0,0|1,0,1]=4 29 B5R0.1 NCCC(N)=O 4148-5-0C [2,0,0,0,0,0|2,0,0]=4 30 B7R0.2 CC(C)CC(N)C#N 3137-1-17 [1,1,0,0,0,0|1,0,1]=4 31 B7R0.2 CC(CCl)CC(=O)Cl 2116-5-20 [1,1,0,0,0,0|2,0,0]=4 32 B7R0.2 O=C(O)CC(=O)CCl 2129-5-0F [1,1,0,0,0,0|1,0,1]=4 33 B7R0.4 CNCCOC(C)=O 4133-5-03 [1,1,0,0,0,0|2,0,0]=4 34 B7R0.4 O=C(Cl)OCCCF 2123-7-29 [1,1,0,0,0,0|2,0,0]=4 35 B7R0.4 O=C(O)CCCCO 2120-1-00 [1,1,0,0,0,0|0,0,0]=2 36 B7R0.5 CC(CCCl)C(=O)Cl 2116-5-21 [1,1,0,0,0,0|2,0,0]=4 37 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [1,1,0,0,0,0|1,0,0]=3 38 B7R0.5 NCCC(F)C(=O)O 4157-3-06 [1,1,0,0,0,0|1,0,0]=3 39 B7R0.16 C=C(C)[C@@H](N)C(=O)O 4357-5-R0 [0,1,0,0,1,0|0,0,2]=4 40 B7R0.16 CC(C)C(F)C(=O)O 2121-3-0K [0,1,0,0,1,0|0,0,0]=2 41 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 4157-1-44 [0,1,0,0,1,0|1,0,0]=3 42 B9R0.1 O=C(O)CCNC(=O)CBr 4158-9-04 [0,1,0,0,0,1|1,0,1]=4 43 B9R0.7 CC(C)=CC[C@@H](N)C(=O)O 4357-1-R0 [0,1,0,0,0,1|0,0,1]=3 44 B9R0.7 CC(C)=CC[C@H](N)C(=O)O 4357-1-S0 [0,1,0,0,0,1|0,0,1]=3 45 B9R0.24 COC(=O)CCS(=O)OC 6165-1-07 [0,2,0,0,0,0|2,0,0]=4 46 B9R0.48 CCCC(Cl)CCC(=O)Cl 2116-5-26 [0,2,0,0,0,0|2,0,0]=4 47 B9R0.11 CC(C)CC(C)(O)C(=O)O 2129-1-0Z [0,2,0,0,0,0|0,0,0]=2 48 B9R0.11 CC(C)S(=O)(=O)CC(=O)O 6163-1-0E [0,2,0,0,0,0|1,0,0]=3 49 B7R1.2 CC1COC(=O)N1 4H56-1-0P2 [1,0,0,1,0,0|2,0,0]=4 50 B7R1.2 NC1CNC(=O)C1 4H48-1-6A [1,0,0,1,0,0|2,0,0]=4 51 B7R1.2 N[C@@H]1CC[C@H](O)C1 4256-5-40 [1,0,0,1,0,0|1,0,1]=4 52 B7R1.2 N[C@@H]1CNC(=O)C1 4H48-5-S0 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.2 N[C@H]1CC[C@@H](O)C1 4256-5-44 [1,0,0,1,0,0|1,0,1]=4 54 B7R1.2 N[C@H]1CC[C@H](O)C1 4256-5-45 [1,0,0,1,0,0|1,0,1]=4 55 B7R1.2 O[C@H]1CC[C@@H](O)C1 2204-1-0D [1,0,0,1,0,0|1,0,1]=4 56 B7R1.3 CN1CC=CCC1 3H33-5-1E [1,0,0,1,0,0|2,0,0]=4 57 B7R1.10 CN1CC(CO)C1 4H01-1-6U [1,0,0,1,0,0|1,0,1]=4 58 B7R1.10 COC1CC(=O)C1 2217-1-0B [1,0,0,1,0,0|2,0,0]=4 59 B7R1.10 NC1CC(CO)C1 4256-5-47 [1,0,0,1,0,0|1,0,1]=4 60 B7R1.10 N[C@H]1C[C@H](CO)C1 4256-5-42 [1,0,0,1,0,0|1,0,1]=4 61 B7R1.10 O=C1CC(CCl)C1 2217-5-07 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.10 OCC1CC(F)C1 2201-3-0E [1,0,0,1,0,0|1,0,1]=4 63 B7R1.12 CC1CC1C(N)=O 4248-1-12 [1,0,0,1,0,0|1,0,0]=3 64 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 2221-1-31 [1,0,0,1,0,0|0,0,0]=2 65 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 2221-1-12 [1,0,0,1,0,0|0,0,0]=2 66 B7R1.14 N=S1(=O)CCCC1 8H69-1-3T [1,0,0,1,0,0|2,0,0]=4 67 B7R1.17 CC1(C)CCC1=O 2217-1-0L [1,0,0,1,0,0|0,0,0]=2 68 B7R1.17 CC1(C)CCC1O 2202-1-0E [1,0,0,1,0,0|0,0,1]=3 69 B7R1.18 NC(=O)C1CCN1 4H48-5-2R [1,0,0,1,0,0|2,0,0]=4 70 B7R1.18 O=C(O)C1CCO1 2H21-1-68 [1,0,0,1,0,0|1,0,0]=3 71 B7R1.18 O=C(O)C1CSC1 6H66-1-63 [1,0,0,1,0,0|1,0,0]=3 72 B7R1.20 NC(=S)CC1CC1 7267-1-05 [1,0,0,1,0,0|1,1,0]=4 73 B7R1.16 CC1(C)CC(=O)C1 2217-1-0K [0,0,0,1,1,0|1,0,0]=3 74 B7R1.16 CC1(C)CC(O)C1 2202-1-0F [0,0,0,1,1,0|1,0,1]=4 75 B7R1.16 CC1(N)CC(=O)C1 4256-5-0F [0,0,0,1,1,0|2,0,0]=4 76 B9R1.35 CN1CC[C@H](C(=O)O)C1 4H58-1-ST [0,0,0,1,0,1|1,0,0]=3 77 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 4H56-5-W8 [0,0,0,1,0,1|0,0,0]=2 78 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 4457-1-03 [0,0,0,1,0,1|1,0,1]=4 79 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 2229-1-R2 [0,0,0,1,0,1|1,0,1]=4 80 B9R1.35 O=C1CC[C@H](C(=O)O)C1 2229-1-S2 [0,0,0,1,0,1|1,0,1]=4 81 B9R1.35 [C@H]1(N)CN[C@@H](C(=O)O)C1 4H57-5-X3 [0,0,0,1,0,1|1,0,0]=3 82 B9R1.53 CC(=O)NC1CC(N)C1 4248-5-08 [0,0,0,1,0,1|2,0,0]=4 83 B9R1.53 NC1CC(CC(=O)O)C1 4257-1-16 [0,0,0,1,0,1|1,0,0]=3 84 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 4257-5-12 [0,0,0,1,0,1|1,0,0]=3 85 B9R1.53 O=C(O)CC1CC(=O)C1 2229-1-0N [0,0,0,1,0,1|1,0,1]=4 86 B9R1.85 O=C(O)CCNC1CC1 4257-1-33 [0,0,0,1,0,1|0,0,0]=2 87 B9R1.166 CC1(C)CN[C@@H]1C(=O)O 4H21-1-SA [0,0,0,1,0,1|0,0,0]=2 88 B9R1.170 O=C(O)CC1CC1(F)F 2221-3-0J [0,0,0,1,0,1|2,0,0]=4 89 B9R1.1 NC[C@H]1CC[C@H](O)CC1 4256-5-46 [0,1,0,1,0,0|1,0,1]=4 90 B9R1.10 O=C1CCC(F)(F)CN1 4H48-3-3G [0,1,0,1,0,0|2,0,0]=4 91 B9R1.82 COC(=O)C1CC(Br)C1 2223-9-05 [0,1,0,1,0,0|1,0,0]=3 92 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 2223-9-00 [0,1,0,1,0,0|1,0,0]=3 93 B9R1.84 O=C(O)\C=C\C1CCC1 2321-1-E1 [0,1,0,1,0,0|0,0,2]=4 94 B9R1.95 COC1CC(C(=O)O)C1 2221-1-37 [0,1,0,1,0,0|0,0,0]=2 95 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 2221-1-E0 [0,1,0,1,0,0|0,0,0]=2 96 B9R1.95 O=C(O)C1CC(CO)C1 2229-1-88 [0,1,0,1,0,0|0,0,0]=2 97 B9R1.112 NC(CC1CC1)C(=O)O 4257-1-26 [0,1,0,1,0,0|0,0,0]=2 98 B9R1.112 N[C@@H](CC1CC1)C(=O)O 4257-1-S7 [0,1,0,1,0,0|0,0,0]=2 99 B9R1.112 N[C@H](CC1CC1)C(=O)O 4257-1-R7 [0,1,0,1,0,0|0,0,0]=2 100 B9R1.112 O=C(O)[C@H](O)CC1CC1 2229-1-R4 [0,1,0,1,0,0|0,0,0]=2 101 B9R1.137 O=[N+]([O-])CC(O)C1CC1 4254-1-06 [0,1,0,1,0,0|1,0,1]=4 102 B9R1.152 C=C1CC(C)(C(=O)O)C1 2321-1-0A [0,1,0,1,0,0|0,0,2]=4 103 B9R1.164 CC(=O)C1CC(F)(F)C1 2217-3-0C [0,1,0,1,0,0|2,0,0]=4 104 B9R1.164 CC1(C)C=C(C(=O)O)C1 2421-1-09 [0,1,0,1,0,0|0,0,1]=3 105 B9R1.164 CC1(F)CC(C(=O)O)C1 2221-3-21 [0,1,0,1,0,0|0,0,0]=2 106 B9R1.164 CC1(O)CC(C(=O)O)C1 2229-1-57 [0,1,0,1,0,0|0,0,0]=2 107 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 2221-3-Z1 [0,1,0,1,0,0|0,0,0]=2 108 B9R1.164 C[C@]1(F)C[C@H](C(=O)O)C1 2221-3-E1 [0,1,0,1,0,0|0,0,0]=2 109 B9R1.51 CC(C)(C)C1CC(=O)C1 2217-1-0M [0,1,0,1,0,0|1,0,0]=3 110 B9R2.145 NC(=O)C12CC(C1)C2 4248-1-27 [0,0,0,2,0,0|1,0,0]=3 111 B9R2.145 O=C(O)C12CC(C1)C2 2221-1-35 [0,0,0,2,0,0|0,0,0]=2 112 B9R2.139 O=C1CC2(CC2)CO1 2H25-1-2H [0,0,0,2,0,0|2,0,0]=4 113 B9R2.143 O=C(O)C1CC12CC2 2221-1-46 [0,0,0,2,0,0|0,0,0]=2 114 B5R0.5 CC(C)C(C)O 2102-1-03 [0,0,0,0,2,0|1,0,1]=4 115 B9R0.55 CC(=O)NCCCN(C)C 4148-1-50 [0,0,0,0,0,2|2,0,0]=4