0 B6R0.2 CC(=O)OC(C)Cl 2123-5-21 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.2 C[C@@H](N)CN(C)C 3132-5-R0 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 C[C@H](N)CN(C)C 3132-5-S0 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 C=CCC(C)N 3230-5-0A [1,0,0,0,0,0|2,0,1]=4 4 B5R0.1 NCCC(N)=O 4148-5-0C [1,0,0,0,0,0|3,0,0]=4 5 B7R0.2 CC(C)CC(=O)CBr 2117-9-09 [0,1,0,0,0,0|1,0,0]=2 6 B7R0.2 CC(C)NC(=O)CBr 4148-9-0A [0,1,0,0,0,0|1,0,0]=2 7 B7R0.2 CC(CCl)CC(=O)Cl 2116-5-20 [0,1,0,0,0,0|2,0,0]=3 8 B7R0.16 CC(C)C(F)C(=O)O 2121-3-0K [0,1,0,0,0,0|2,0,0]=3 9 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 4157-1-44 [0,1,0,0,0,0|3,0,0]=4 10 B7R1.2 CC1CCC(C)N1 3H31-5-0R [0,0,0,1,0,0|2,0,1]=4 11 B7R1.2 CC1CNC(=S)N1 7H67-1-34 [0,0,0,1,0,0|2,1,0]=4 12 B7R1.2 CC1COC(=O)N1 4H56-1-0P2 [0,0,0,1,0,0|2,0,0]=3 13 B7R1.2 NC1CNC(=O)C1 4H48-1-6A [0,0,0,1,0,0|3,0,0]=4 14 B7R1.2 N[C@@H]1CNC(=O)C1 4H48-5-S0 [0,0,0,1,0,0|3,0,0]=4 15 B7R1.12 CC(C)C1ON1C 4H56-1-03P [0,0,0,1,0,0|2,0,1]=4 16 B7R1.12 CC1CC1C(N)=O 4248-1-12 [0,0,0,1,0,0|2,0,0]=3 17 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 2221-1-31 [0,0,0,1,0,0|2,0,0]=3 18 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 2221-1-12 [0,0,0,1,0,0|2,0,0]=3 19 B7R1.16 CC1(C)CC(=O)C1 2217-1-0K [0,0,0,1,0,0|1,0,0]=2 20 B7R1.16 CC1(C)CC(N)C1 3230-5-0E [0,0,0,1,0,0|2,0,1]=4 21 B7R1.16 CC1(C)CC(O)C1 2202-1-0F [0,0,0,1,0,0|1,0,2]=4 22 B7R1.16 CC1(N)CC(=O)C1 4256-5-0F [0,0,0,1,0,0|2,0,0]=3 23 B7R1.20 NC(=S)CC1CC1 7267-1-05 [0,0,0,1,0,0|2,1,0]=4 24 B5R0.5 CC(C)C(C)O 2102-1-03 [0,0,0,0,1,0|0,0,2]=3 25 B5R0.5 O=C(F)C(F)F 2116-3-03 [0,0,0,0,1,0|3,0,0]=4 26 B5R0.5 O=C([O-])C(F)F 2122-2-21 [0,0,0,0,1,0|3,0,0]=4 27 B4R0.1 CNC(C)=S 7167-1-41 [2,0,0,0,0,0|1,1,0]=4 28 B6R0.1 CCC(C)CNC 3131-5-05 [1,1,0,0,0,0|2,0,0]=4 29 B6R0.1 CCNC(=O)CBr 4148-9-03 [1,1,0,0,0,0|1,0,0]=3 30 B6R0.3 CCC(F)C(=O)O 2121-3-0L [1,1,0,0,0,0|2,0,0]=4 31 B6R0.3 CNC(C)C(C)C 3131-1-0B [1,1,0,0,0,0|2,0,0]=4 32 B6R0.7 CC(=O)C(F)(F)F 2117-3-01B [0,1,0,0,1,0|2,0,0]=4 33 B6R0.7 C[C@H](N)C(C)(C)O 4156-1-63 [0,1,0,0,1,0|1,0,1]=4 34 B8R0.9 C=CC(=O)OCC(C)O 2124-1-02 [0,1,0,0,0,1|1,0,1]=4 35 B8R0.9 CCC(=O)NCC(C)C 4148-1-0W [0,1,0,0,0,1|1,0,0]=3 36 B8R0.23 CC(=O)C(=O)OC(C)C 2129-1-0H [0,1,0,0,0,1|0,0,0]=2 37 B8R0.23 CC(C)NC(=O)C(=O)O 4157-1-54 [0,1,0,0,0,1|2,0,0]=4 38 B8R0.29 CC(C)(S)CCC(=O)O 6161-1-10 [0,1,0,0,0,1|2,0,0]=4 39 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 4157-1-0Y [0,2,0,0,0,0|2,0,0]=4 40 B8R0.5 CC(C)OC(=O)\C=C/I 2324-H-00 [0,2,0,0,0,0|0,0,1]=3 41 B8R0.5 CCCC(=O)CC(C)C 2117-1-0K [0,2,0,0,0,0|1,0,0]=3 42 B8R0.19 COC(=O)C[C@@H](O)CCl 2129-5-R0 [0,2,0,0,0,0|2,0,0]=4 43 B8R0.24 CC(C)(C)OC(=O)CI 2123-H-00 [0,2,0,0,0,0|0,0,0]=2 44 B6R1.2 C[C@H]1CCCN1 3H31-1-S2 [1,0,0,1,0,0|1,0,1]=4 45 B6R1.2 O=C1CCNN1 4H48-5-FV [1,0,0,1,0,0|2,0,0]=4 46 B6R1.5 CN1CC(=O)C1 4H17-5-2E [1,0,0,1,0,0|2,0,0]=4 47 B6R1.5 O=C1CC(Br)C1 2217-9-03 [1,0,0,1,0,0|2,0,0]=4 48 B6R1.5 O=C1CC(F)C1 2217-3-0D [1,0,0,1,0,0|2,0,0]=4 49 B6R1.5 O=C1CC(O)C1 2220-1-00 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.3 N[C@H]1CCC(=O)NC1 4H48-5-SH [0,0,0,1,0,1|2,0,0]=4 51 B8R1.3 O=C1CCC(Br)CC1 2217-9-01 [0,0,0,1,0,1|2,0,0]=4 52 B8R1.3 O=C1CCC(F)CC1 2217-3-06 [0,0,0,1,0,1|2,0,0]=4 53 B8R1.23 CC(=O)C1CC(O)C1 2229-1-0T [0,0,0,1,0,1|2,0,0]=4 54 B8R1.23 CC(C)C1CC(=O)N1 4H48-1-019 [0,0,0,1,0,1|1,0,0]=3 55 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 2221-1-30 [0,0,0,1,0,1|2,0,0]=4 56 B8R1.1 NCC1CNC(=O)C1 4H48-1-HY [0,1,0,1,0,0|2,0,0]=4 57 B8R1.1 NCC1CNC(=O)C1 4H48-5-B2 [0,1,0,1,0,0|2,0,0]=4 58 B8R1.1 NC[C@@H]1CCC(=O)N1 4H48-1-S0 [0,1,0,1,0,0|1,0,0]=3 59 B8R1.1 NC[C@@H]1CNC(=O)C1 4H48-1-RC [0,1,0,1,0,0|2,0,0]=4 60 B8R1.1 NC[C@@H]1CNC(=O)C1 4H48-5-R7 [0,1,0,1,0,0|2,0,0]=4 61 B8R1.4 C[C@H]1CNC[C@H](C)O1 4H31-1-2B [0,1,0,1,0,0|1,0,1]=4 62 B8R1.4 O=C1CCCC(Br)C1 2217-9-0B [0,1,0,1,0,0|2,0,0]=4 63 B8R1.4 O=C1CCCC(Cl)C1 2217-5-08 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 4H21-1-AR [0,1,0,1,0,0|2,0,0]=4 65 B8R1.34 CC(=O)C=C1COC1 2H17-1-0B [0,1,0,1,0,0|1,0,1]=4 66 B8R1.34 O=C(O)CC1CNC1 4H58-5-7G [0,1,0,1,0,0|2,0,0]=4 67 B8R1.54 NC(C(=O)O)C1CC1 4257-1-23 [0,1,0,1,0,0|2,0,0]=4 68 B8R1.54 N[C@H](C(=O)O)C1CC1 4257-1-S8 [0,1,0,1,0,0|2,0,0]=4 69 B8R2.53 O=C1CC2(CC2)C1 2217-1-0E [0,0,0,2,0,0|1,0,0]=3