0 B5R0.5 CC(C)C(C)O 2102-1-03 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.5 O=C(F)C(F)F 2116-3-03 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.5 O=C([O-])C(F)F 2122-2-21 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.5 O=S([O-])C(F)F 6165-3-00 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.5 O=S([O-])C(F)F 6165-3-01 [0,0,0,0,0,0|4,0,0]=4 5 B4R0.1 C=C(Cl)CI 1300-M-01 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.1 CC(N)C#N 3137-1-0B [1,0,0,0,0,0|2,0,1]=4 7 B4R0.1 CC(N)CF 3130-7-09 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 CNC(C)=S 7167-1-41 [1,0,0,0,0,0|1,1,0]=3 9 B4R0.1 C\C(Br)=C/F 1300-B-E0 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.3 CCC(F)C(=O)O 2121-3-0L [0,1,0,0,0,0|2,0,0]=3 11 B6R0.3 CNC(C)C(C)C 3131-1-0B [0,1,0,0,0,0|2,0,1]=4 12 B6R0.3 NC(CF)C(=O)O 4157-3-01 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.7 CC(=O)C(F)(F)F 2117-3-01B [0,1,0,0,0,0|2,0,0]=3 14 B6R0.7 C[C@H](N)C(C)(C)O 4156-1-63 [0,1,0,0,0,0|1,0,1]=3 15 B6R0.7 O=C(Br)C(F)(F)F 2116-A-04 [0,1,0,0,0,0|3,0,0]=4 16 B6R0.7 O=C(Cl)C(F)(F)F 2116-6-08 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.7 O=C(F)C(F)(F)F 2116-2-05 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.7 O=C(O)C(F)(Cl)Br 2121-F-01 [0,1,0,0,0,0|3,0,0]=4 19 B6R0.7 O=C(O)C(F)(F)F 4H22-3-0C [0,1,0,0,0,0|3,0,0]=4 20 B6R0.7 O=C(O)C(F)(F)F 4H22-3-R0 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.7 O=C(O)C(F)(F)F 4H22-3-S0 [0,1,0,0,0,0|3,0,0]=4 22 B6R0.7 O=C(O)C(F)(F)F 4H56-3-7R [0,1,0,0,0,0|3,0,0]=4 23 B6R1.4 N[C@@H]1CC[C@@H]1O 4256-5-Z2 [0,0,0,1,0,0|1,0,1]=3 24 B6R1.11 CC(O)C1CO1 2109-1-08 [0,0,0,1,0,0|0,0,2]=3 25 B6R0.2 CC(=O)OC(C)Cl 2123-5-21 [0,0,0,0,0,1|1,0,0]=2 26 B6R0.2 C[C@@H](N)CN(C)C 3132-5-R0 [0,0,0,0,0,1|3,0,0]=4 27 B6R0.2 C[C@H](N)CN(C)C 3132-5-S0 [0,0,0,0,0,1|3,0,0]=4 28 B3R0.1 C\C=C\F 1300-3-PX [2,0,0,0,0,0|1,0,1]=4 29 B3R0.2 O=C(F)F 2116-2-02 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.1 C=CCC(C)N 3230-5-0A [1,1,0,0,0,0|1,0,1]=4 31 B5R0.1 NCCC(N)=O 4148-5-0C [1,1,0,0,0,0|1,0,0]=3 32 B5R0.3 C=CC(C)ON 4347-5-31 [1,1,0,0,0,0|0,0,1]=3 33 B5R0.3 CC(CO)CBr 2101-9-0B [1,1,0,0,0,0|1,0,1]=4 34 B5R0.3 CN[C@@H](C)CO 4156-5-S1 [1,1,0,0,0,0|1,0,0]=3 35 B5R0.4 CC(C)(Br)C=O 2115-9-03 [1,1,0,0,0,0|1,0,0]=3 36 B7R0.2 CC(C)CC(=O)CBr 2117-9-09 [0,1,0,0,0,1|1,0,0]=3 37 B7R0.2 CC(C)NC(=O)CBr 4148-9-0A [0,1,0,0,0,1|1,0,0]=3 38 B7R0.2 CC(CCl)CC(=O)Cl 2116-5-20 [0,1,0,0,0,1|2,0,0]=4 39 B7R0.2 O=C(O)CC(=O)CCl 2129-5-0F [0,1,0,0,0,1|1,0,1]=4 40 B7R0.16 CC(C)C(F)C(=O)O 2121-3-0K [0,1,0,0,0,1|2,0,0]=4 41 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 4157-1-44 [0,1,0,0,0,1|1,0,0]=3 42 B7R0.5 CC(CCCl)C(=O)Cl 2116-5-21 [0,2,0,0,0,0|2,0,0]=4 43 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [0,2,0,0,0,0|1,0,0]=3 44 B7R0.5 NCCC(F)C(=O)O 4157-3-06 [0,2,0,0,0,0|2,0,0]=4 45 B7R0.10 CN[C@H](C)C(=O)OC 4158-5-RJ [0,2,0,0,0,0|1,0,0]=3 46 B7R0.10 COC(=O)C(O)CN 4158-5-50 [0,2,0,0,0,0|0,0,0]=2 47 B7R0.10 COC(=O)[C@H](C)CO 2129-1-RC [0,2,0,0,0,0|0,0,0]=2 48 B7R0.10 OC(CCl)C(O)CCl 2104-5-01 [0,2,0,0,0,0|0,0,2]=4 49 B7R0.14 C[C@@H](CO)C(C)(C)O 2103-1-S2 [0,2,0,0,0,0|0,0,2]=4 50 B5R1.2 CC1CCN1 3H31-5-4U [1,0,0,1,0,0|1,0,1]=4 51 B5R1.2 IC1CCC1 1200-H-02 [1,0,0,1,0,0|1,0,1]=4 52 B5R1.2 SC1COC1 6H61-1-01 [1,0,0,1,0,0|0,1,1]=4 53 B5R1.3 C=C[C@H]1CO1 2109-1-S0 [1,0,0,1,0,0|0,0,1]=3 54 B5R1.3 ICC1CO1 2109-H-01 [1,0,0,1,0,0|1,0,1]=4 55 B7R1.2 CC1COC(=O)N1 4H56-1-0P2 [0,0,0,1,0,1|2,0,0]=4 56 B7R1.2 NC1CNC(=O)C1 4H48-1-6A [0,0,0,1,0,1|2,0,0]=4 57 B7R1.2 N[C@@H]1CC[C@H](O)C1 4256-5-40 [0,0,0,1,0,1|1,0,1]=4 58 B7R1.2 N[C@@H]1CNC(=O)C1 4H48-5-S0 [0,0,0,1,0,1|2,0,0]=4 59 B7R1.2 N[C@H]1CC[C@@H](O)C1 4256-5-44 [0,0,0,1,0,1|1,0,1]=4 60 B7R1.2 N[C@H]1CC[C@H](O)C1 4256-5-45 [0,0,0,1,0,1|1,0,1]=4 61 B7R1.2 O[C@H]1CC[C@@H](O)C1 2204-1-0D [0,0,0,1,0,1|0,0,2]=4 62 B7R1.12 CC1CC1C(N)=O 4248-1-12 [0,0,0,1,0,1|2,0,0]=4 63 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 2221-1-31 [0,0,0,1,0,1|2,0,0]=4 64 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 2221-1-12 [0,0,0,1,0,1|2,0,0]=4 65 B7R1.16 CC1(C)CC(=O)C1 2217-1-0K [0,0,0,1,0,1|1,0,0]=3 66 B7R1.16 CC1(C)CC(O)C1 2202-1-0F [0,0,0,1,0,1|1,0,1]=4 67 B7R1.16 CC1(N)CC(=O)C1 4256-5-0F [0,0,0,1,0,1|1,0,0]=3 68 B7R1.16 C[C@]1(N)C[C@@H](O)C1 4256-5-38 [0,0,0,1,0,1|1,0,1]=4 69 B7R1.16 C[C@]1(N)C[C@H](O)C1 4256-5-18 [0,0,0,1,0,1|1,0,1]=4 70 B7R1.16 C[C@]1(O)C[C@@H](N)C1 4256-5-19 [0,0,0,1,0,1|1,0,1]=4 71 B7R1.16 C[C@]1(O)C[C@H](N)C1 4256-5-20 [0,0,0,1,0,1|1,0,1]=4 72 B7R1.4 N[C@@H]1CCC[C@@H]1O 4256-5-30 [0,1,0,1,0,0|1,0,1]=4 73 B7R1.4 N[C@@H]1COC[C@@H]1O 4H56-5-8A [0,1,0,1,0,0|1,0,1]=4 74 B7R1.4 N[C@@H]1COC[C@H]1O 4H56-5-8E [0,1,0,1,0,0|1,0,1]=4 75 B7R1.4 O=C1CCCC1Br 2215-9-00 [0,1,0,1,0,0|1,0,0]=3 76 B7R1.4 O=C1OCC[C@@H]1O 2H29-1-S0 [0,1,0,1,0,0|0,0,0]=2 77 B7R1.4 O[C@@H]1CNC[C@H]1O 4H56-1-820 [0,1,0,1,0,0|0,0,2]=4 78 B7R1.4 O[C@H]1COC[C@@H]1O 2H04-1-S1 [0,1,0,1,0,0|0,0,2]=4 79 B7R1.8 O=C1CCC1CO 2220-1-06 [0,1,0,1,0,0|0,0,0]=2 80 B7R1.17 CC1(C)CCC1=O 2217-1-0L [0,1,0,1,0,0|1,0,0]=3 81 B7R1.17 CC1(C)CCC1O 2202-1-0E [0,1,0,1,0,0|1,0,1]=4 82 B7R1.18 CC(O)C1CNC1 4H02-5-0E [0,1,0,1,0,0|1,0,1]=4 83 B7R1.18 NC(=O)C1CCN1 4H48-5-2R [0,1,0,1,0,0|2,0,0]=4 84 B7R1.18 O=C(O)C1CCO1 2H21-1-68 [0,1,0,1,0,0|1,0,0]=3 85 B7R1.18 O=C(O)C1CSC1 6H66-1-63 [0,1,0,1,0,0|1,1,0]=4 86 B7R1.19 CC1(C(N)=O)CC1 4248-1-0B [0,1,0,1,0,0|2,0,0]=4