0 B7R0.4 CNCCOC(C)=O 4133-5-03 [1,0,0,0,0,0|1,0,0]=2 1 B7R0.4 O=C(Cl)OCCCF 2123-7-29 [1,0,0,0,0,0|2,0,0]=3 2 B7R0.4 O=C(O)CCCCO 2120-1-00 [1,0,0,0,0,0|3,0,0]=4 3 B9R0.53 CC(C)CC(C)CC(C)C 1100-1-14 [0,1,0,0,0,0|2,0,1]=4 4 B9R1.35 CN1CC[C@H](C(=O)O)C1 4H58-1-ST [0,0,0,1,0,0|3,0,0]=4 5 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 4H56-5-W8 [0,0,0,1,0,0|3,0,0]=4 6 B9R1.53 CC(=O)NC1CC(N)C1 4248-5-08 [0,0,0,1,0,0|2,0,0]=3 7 B9R1.53 CC(C)OC1CC(N)C1 4256-1-17 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.53 CC(C)O[C@H]1C[C@@H](N)C1 4256-5-Z5 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.53 NC1CC(CC(=O)O)C1 4257-1-16 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 4257-5-12 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.85 O=C(O)CCNC1CC1 4257-1-33 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.166 CC1(C)CN[C@@H]1C(=O)O 4H21-1-SA [0,0,0,1,0,0|3,0,0]=4 13 B9R0.55 CC(=O)NCCCN(C)C 4148-1-50 [0,0,0,0,0,1|2,0,0]=3 14 B6R0.4 C=CCCC(C)Br 1300-9-21 [2,0,0,0,0,0|1,0,1]=4 15 B6R0.4 CC(C)CCON 4147-5-07 [2,0,0,0,0,0|1,0,0]=3 16 B8R0.5 CCCC(N)CC(=O)O 4158-1-50 [1,1,0,0,0,0|2,0,0]=4 17 B8R0.6 CCCCOC(=O)C=O 2129-1-0S [1,1,0,0,0,0|0,0,1]=3 18 B8R0.6 CCCSCC(=O)OC 6166-1-0C [1,1,0,0,0,0|2,0,0]=4 19 B8R0.6 CNCCCC(=O)OC 4133-5-00 [1,1,0,0,0,0|2,0,0]=4 20 B8R0.6 COC(=O)OCCCF 2128-3-97 [1,1,0,0,0,0|1,0,0]=3 21 B8R0.7 C=C(C)CCCCCC 1300-1-30 [1,1,0,0,0,0|2,0,0]=4 22 B8R0.23 CC(=O)C(=O)OC(C)C 2129-1-0H [0,1,0,0,1,0|1,0,1]=4 23 B8R0.23 CC(C)C(N)CN(C)C 3132-1-0B [0,1,0,0,1,0|2,0,0]=4 24 B8R0.23 CC(C)[C@H](N)CN(C)C 3132-5-S1 [0,1,0,0,1,0|2,0,0]=4 25 B8R0.29 CC(C)(S)CCC(=O)O 6161-1-10 [0,1,0,0,1,0|1,0,0]=3 26 B8R1.1 C=CC1COC(=O)C1 2H25-1-2G [1,0,0,1,0,0|0,0,2]=4 27 B8R1.1 NCC1CNC(=O)C1 4H48-1-HY [1,0,0,1,0,0|2,0,0]=4 28 B8R1.1 NCC1CNC(=O)C1 4H48-5-B2 [1,0,0,1,0,0|2,0,0]=4 29 B8R1.1 NC[C@@H]1CNC(=O)C1 4H48-1-RC [1,0,0,1,0,0|2,0,0]=4 30 B8R1.1 NC[C@@H]1CNC(=O)C1 4H48-5-R7 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.4 CC1CCNC(C)C1 3H33-5-1C [1,0,0,1,0,0|1,0,1]=4 32 B8R1.4 O=C1CCCC(Br)C1 2217-9-0B [1,0,0,1,0,0|2,0,0]=4 33 B8R1.4 O=C1CCCC(Cl)C1 2217-5-08 [1,0,0,1,0,0|2,0,0]=4 34 B8R1.6 CCOC1CC(N)C1 4256-5-0D [1,0,0,1,0,0|1,0,1]=4 35 B8R1.7 CC(=O)N1CCCC1 4H48-1-0A0 [1,0,0,1,0,0|1,0,0]=3 36 B8R1.7 NC(=O)N1CCCC1 4H48-1-A4 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.22 C=C1OCCCCO1 2H10-1-71 [1,0,0,1,0,0|0,0,2]=4 38 B8R1.72 CC1(O)CCOCC1 2H10-1-Z0 [1,0,0,1,0,0|1,0,1]=4 39 B8R1.3 N[C@H]1CCC(=O)NC1 4H48-5-SH [0,0,0,1,1,0|2,0,0]=4 40 B8R1.3 O=C1CCC(Br)CC1 2217-9-01 [0,0,0,1,1,0|1,0,0]=3 41 B8R1.3 O=C1CCC(F)CC1 2217-3-06 [0,0,0,1,1,0|1,0,0]=3 42 B8R1.23 CC(=O)C1CC(O)C1 2229-1-0T [0,0,0,1,1,0|1,0,0]=3 43 B8R1.23 CC(C)C1CC(=O)N1 4H48-1-019 [0,0,0,1,1,0|1,0,0]=3 44 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 2221-1-30 [0,0,0,1,1,0|1,0,0]=3 45 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 4257-1-27 [0,0,0,1,1,0|2,0,0]=4 46 B8R1.23 O=C(O)C1CC(Cl)C1 2221-5-05 [0,0,0,1,1,0|2,0,0]=4 47 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 2221-3-Z2 [0,0,0,1,1,0|2,0,0]=4 48 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 2221-5-E0 [0,0,0,1,1,0|2,0,0]=4 49 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 2221-3-E2 [0,0,0,1,1,0|2,0,0]=4 50 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 2229-1-E2 [0,0,0,1,1,0|2,0,0]=4 51 B8R1.23 O=C1CC(C(F)F)C1 2217-3-01 [0,0,0,1,1,0|2,0,0]=4 52 B10R1.128 CC1(C)CCCC1C(=O)O 2221-1-13 [0,0,0,1,0,1|2,0,0]=4 53 B10R1.361 CC(C)N1CC[C@H]1C(=O)O 4H21-1-S8 [0,0,0,1,0,1|2,0,0]=4 54 B10R1.13 C[C@H]1CC[C@H](C(=O)Cl)CC1 2216-5-05 [0,1,0,1,0,0|2,0,0]=4 55 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 4258-5-11 [0,1,0,1,0,0|2,0,0]=4 56 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 4233-5-05 [0,1,0,1,0,0|2,0,0]=4 57 B10R1.150 COC(=O)CC1CC(O)C1 2229-1-0S [0,1,0,1,0,0|2,0,0]=4 58 B10R1.485 CC1(C#N)CCCC(=O)C1 4H37-1-3X [0,1,0,1,0,0|1,0,1]=4 59 B10R1.83 CC1(C)[C@@H](N)C[C@H]1C(=O)O 4257-5-06 [0,1,0,1,0,0|2,0,0]=4 60 B10R2.534 O=C1CCCC2(CC2)C1 2217-1-0D [0,0,0,2,0,0|1,0,0]=3 61 B6R0.2 CC(=O)OC(C)Cl 2123-5-21 [0,0,0,0,2,0|1,0,0]=3