0 B6R0.2 CC(=O)OC(C)Cl 2123-5-21 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.2 C[C@@H](N)CN(C)C 3132-5-R0 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.2 C[C@H](N)CN(C)C 3132-5-S0 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 C=CCC(C)N 3230-5-0A [1,0,0,0,0,0|1,0,1]=3 4 B5R0.1 NCCC(N)=O 4148-5-0C [1,0,0,0,0,0|2,0,0]=3 5 B7R0.2 CC(C)CC(=O)CBr 2117-9-09 [0,1,0,0,0,0|0,0,0]=1 6 B7R0.2 CC(C)CC(N)C#N 3137-1-17 [0,1,0,0,0,0|1,0,2]=4 7 B7R0.2 CC(C)NC(=O)CBr 4148-9-0A [0,1,0,0,0,0|1,0,0]=2 8 B7R0.2 CC(CCl)CC(=O)Cl 2116-5-20 [0,1,0,0,0,0|1,0,0]=2 9 B7R0.2 COC(=O)CC(=N)N 4158-5-51 [0,1,0,0,0,0|2,0,1]=4 10 B7R0.2 O=C(O)CC(=O)CCl 2129-5-0F [0,1,0,0,0,0|2,0,1]=4 11 B7R0.9 CS(=O)(=O)CC(N)=O 8163-1-00 [0,1,0,0,0,0|3,0,0]=4 12 B7R0.9 NC(=O)CC(F)(F)F 4148-3-0F [0,1,0,0,0,0|3,0,0]=4 13 B7R0.16 C=C(C)[C@@H](N)C(=O)O 4357-5-R0 [0,1,0,0,0,0|1,0,2]=4 14 B7R0.16 CC(C)C(F)C(=O)O 2121-3-0K [0,1,0,0,0,0|1,0,0]=2 15 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 4157-1-44 [0,1,0,0,0,0|2,0,0]=3 16 B7R1.2 CC1CCC(C)N1 3H31-5-0R [0,0,0,1,0,0|2,0,1]=4 17 B7R1.2 CC1CNC(=S)N1 7H67-1-34 [0,0,0,1,0,0|2,1,0]=4 18 B7R1.2 CC1COC(=O)N1 4H56-1-0P2 [0,0,0,1,0,0|2,0,0]=3 19 B7R1.2 CN1CC[C@@H](N)C1 3H30-1-R1 [0,0,0,1,0,0|2,0,1]=4 20 B7R1.2 CN1CC[C@H](N)C1 3H30-1-S0 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.2 NC1CNC(=O)C1 4H48-1-6A [0,0,0,1,0,0|2,0,0]=3 22 B7R1.2 N[C@@H]1CC[C@H](O)C1 4256-5-40 [0,0,0,1,0,0|1,0,2]=4 23 B7R1.2 N[C@@H]1CNC(=O)C1 4H48-5-S0 [0,0,0,1,0,0|2,0,0]=3 24 B7R1.2 N[C@H]1CC[C@@H](O)C1 4256-5-44 [0,0,0,1,0,0|1,0,2]=4 25 B7R1.2 N[C@H]1CC[C@H](O)C1 4256-5-45 [0,0,0,1,0,0|1,0,2]=4 26 B7R1.2 O[C@H]1CC[C@@H](O)C1 2204-1-0D [0,0,0,1,0,0|1,0,2]=4 27 B7R1.12 CC(C)C1ON1C 4H56-1-03P [0,0,0,1,0,0|1,0,1]=3 28 B7R1.12 CC1CC1C(N)=O 4248-1-12 [0,0,0,1,0,0|1,0,0]=2 29 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 2221-1-31 [0,0,0,1,0,0|1,0,0]=2 30 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 2221-1-12 [0,0,0,1,0,0|1,0,0]=2 31 B7R1.16 CC1(C)CC(=O)C1 2217-1-0K [0,0,0,1,0,0|0,0,0]=1 32 B7R1.16 CC1(C)CC(N)C1 3230-5-0E [0,0,0,1,0,0|1,0,1]=3 33 B7R1.16 CC1(C)CC(O)C1 2202-1-0F [0,0,0,1,0,0|0,0,2]=3 34 B7R1.16 CC1(F)CC(N)C1 3230-7-0E [0,0,0,1,0,0|2,0,1]=4 35 B7R1.16 CC1(N)CC(=O)C1 4256-5-0F [0,0,0,1,0,0|1,0,0]=2 36 B7R1.16 CC1(N)CC(F)C1 3230-7-0G [0,0,0,1,0,0|2,0,1]=4 37 B7R1.16 C[C@]1(N)C[C@@H](O)C1 4256-5-38 [0,0,0,1,0,0|1,0,2]=4 38 B7R1.16 C[C@]1(N)C[C@H](O)C1 4256-5-18 [0,0,0,1,0,0|1,0,2]=4 39 B7R1.16 C[C@]1(O)C[C@@H](N)C1 4256-5-19 [0,0,0,1,0,0|1,0,2]=4 40 B7R1.16 C[C@]1(O)C[C@H](N)C1 4256-5-20 [0,0,0,1,0,0|1,0,2]=4 41 B7R1.20 NC(=S)CC1CC1 7267-1-05 [0,0,0,1,0,0|1,1,0]=3 42 B5R0.5 CC(C)C(C)O 2102-1-03 [0,0,0,0,1,0|0,0,2]=3 43 B5R0.5 O=C(F)C(F)F 2116-3-03 [0,0,0,0,1,0|3,0,0]=4 44 B5R0.5 O=C([O-])C(F)F 2122-2-21 [0,0,0,0,1,0|3,0,0]=4 45 B4R0.1 CC(N)CF 3130-7-09 [2,0,0,0,0,0|2,0,0]=4 46 B4R0.1 CNC(C)=S 7167-1-41 [2,0,0,0,0,0|1,1,0]=4 47 B4R0.2 C=CCNC 3331-1-01 [2,0,0,0,0,0|1,0,1]=4 48 B6R0.1 C=CC[C@@H](N)CO 4356-5-R0 [1,1,0,0,0,0|1,0,1]=4 49 B6R0.1 C=CC[C@H](N)CO 4356-5-S0 [1,1,0,0,0,0|1,0,1]=4 50 B6R0.1 CCC(C)CNC 3131-5-05 [1,1,0,0,0,0|1,0,0]=3 51 B6R0.1 CCNC(=O)CBr 4148-9-03 [1,1,0,0,0,0|1,0,0]=3 52 B6R0.3 CCC(F)C(=O)O 2121-3-0L [1,1,0,0,0,0|1,0,0]=3 53 B6R0.3 CNC(C)C(C)C 3131-1-0B [1,1,0,0,0,0|1,0,0]=3 54 B6R0.3 NC(CF)C(=O)O 4157-3-01 [1,1,0,0,0,0|2,0,0]=4 55 B6R0.4 C=CCCC(C)Br 1300-9-21 [1,1,0,0,0,0|1,0,1]=4 56 B6R0.4 CC(C)CCON 4147-5-07 [1,1,0,0,0,0|0,0,2]=4 57 B6R0.4 CN(C)CCCBr 3132-9-02 [1,1,0,0,0,0|1,0,1]=4 58 B6R0.5 CC(C)(C)CON 4147-5-02 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.5 CC(C)(N)CCO 4156-5-18 [1,1,0,0,0,0|0,0,2]=4 60 B6R0.5 CC(C)(O)CCN 4130-1-X2 [1,1,0,0,0,0|1,0,1]=4 61 B6R0.7 CC(=O)C(F)(F)F 2117-3-01B [0,1,0,0,1,0|2,0,0]=4 62 B6R0.7 C[C@H](N)C(C)(C)O 4156-1-63 [0,1,0,0,1,0|1,0,1]=4 63 B8R0.9 C=CC(=O)OCC(C)O 2124-1-02 [0,1,0,0,0,1|1,0,1]=4 64 B8R0.9 CCC(=O)NCC(C)C 4148-1-0W [0,1,0,0,0,1|0,0,0]=2 65 B8R0.23 CC(=O)C(=O)OC(C)C 2129-1-0H [0,1,0,0,0,1|0,0,1]=3 66 B8R0.23 CC(C)C(N)CN(C)C 3132-1-0B [0,1,0,0,0,1|2,0,0]=4 67 B8R0.23 CC(C)NC(=O)C(=O)O 4157-1-54 [0,1,0,0,0,1|1,0,1]=4 68 B8R0.23 CC(C)[C@H](N)CN(C)C 3132-5-S1 [0,1,0,0,0,1|2,0,0]=4 69 B8R0.29 CC(C)(S)CCC(=O)O 6161-1-10 [0,1,0,0,0,1|1,0,0]=3 70 B8R0.29 CS(C)(=O)=NCC(=O)O 8169-1-0A [0,1,0,0,0,1|2,0,0]=4 71 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 4157-1-0Y [0,2,0,0,0,0|1,0,0]=3 72 B8R0.5 CC(C)OC(=O)\C=C/I 2324-H-00 [0,2,0,0,0,0|1,0,1]=4 73 B8R0.5 CCCC(=O)CC(C)C 2117-1-0K [0,2,0,0,0,0|0,0,0]=2 74 B8R0.5 CCCC(N)CC(=O)O 4158-1-50 [0,2,0,0,0,0|2,0,0]=4 75 B8R0.16 COC(CC(C)O)OC 2108-1-0B [0,2,0,0,0,0|0,0,2]=4 76 B8R0.19 COC(=O)C[C@@H](O)CCl 2129-5-R0 [0,2,0,0,0,0|1,0,0]=3 77 B8R0.24 CC(C)(C)OC(=O)CI 2123-H-00 [0,2,0,0,0,0|1,0,0]=3 78 B8R0.34 CC(C)CC(C)(N)C#N 3137-1-0L [0,2,0,0,0,0|1,0,1]=4 79 B8R0.33 CC(C)(C)CC(C)(C)Cl 1100-5-X0 [0,2,0,0,0,0|1,0,1]=4 80 B6R1.2 C[C@H]1CCCN1 3H31-1-S2 [1,0,0,1,0,0|1,0,1]=4 81 B6R1.2 I[C@H]1CCOC1 2H10-H-S1 [1,0,0,1,0,0|2,0,0]=4 82 B6R1.2 O=C1CCNN1 4H48-5-FV [1,0,0,1,0,0|2,0,0]=4 83 B6R1.3 BrCCC1CC1 1200-9-18 [1,0,0,1,0,0|1,0,1]=4 84 B6R1.3 NOCC1CC1 4247-5-00 [1,0,0,1,0,0|2,0,0]=4 85 B6R1.5 C=C1CC(N)C1 3330-5-00 [1,0,0,1,0,0|1,0,1]=4 86 B6R1.5 CN1CC(=O)C1 4H17-5-2E [1,0,0,1,0,0|1,0,0]=3 87 B6R1.5 C[C@H]1C[C@@H](N)C1 3230-5-Z1 [1,0,0,1,0,0|1,0,1]=4 88 B6R1.5 O=C1CC(Br)C1 2217-9-03 [1,0,0,1,0,0|1,0,0]=3 89 B6R1.5 O=C1CC(F)C1 2217-3-0D [1,0,0,1,0,0|1,0,0]=3 90 B6R1.5 O=C1CC(O)C1 2220-1-00 [1,0,0,1,0,0|1,0,0]=3 91 B6R1.10 CC1(F)CNC1 3H31-7-59 [1,0,0,1,0,0|2,0,0]=4 92 B6R1.10 CC1(N)CNC1 3H30-5-3Y [1,0,0,1,0,0|2,0,0]=4 93 B6R1.11 CC(O)C1CO1 2109-1-08 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.3 N[C@H]1CCC(=O)NC1 4H48-5-SH [0,0,0,1,0,1|1,0,0]=3 95 B8R1.3 O=C1CCC(Br)CC1 2217-9-01 [0,0,0,1,0,1|1,0,0]=3 96 B8R1.3 O=C1CCC(F)CC1 2217-3-06 [0,0,0,1,0,1|1,0,0]=3 97 B8R1.23 CC(=O)C1CC(O)C1 2229-1-0T [0,0,0,1,0,1|1,0,0]=3 98 B8R1.23 CC(C)C1CC(=O)N1 4H48-1-019 [0,0,0,1,0,1|0,0,0]=2 99 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 2221-1-30 [0,0,0,1,0,1|1,0,0]=3 100 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 4257-1-27 [0,0,0,1,0,1|2,0,0]=4 101 B8R1.23 O=C(O)C1CC(Cl)C1 2221-5-05 [0,0,0,1,0,1|2,0,0]=4 102 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 2221-3-Z2 [0,0,0,1,0,1|2,0,0]=4 103 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 2221-5-E0 [0,0,0,1,0,1|2,0,0]=4 104 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 2221-3-E2 [0,0,0,1,0,1|2,0,0]=4 105 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 2229-1-E2 [0,0,0,1,0,1|2,0,0]=4 106 B8R1.23 O=C1CC(C(F)F)C1 2217-3-01 [0,0,0,1,0,1|2,0,0]=4 107 B8R1.35 CC(C)CNC1CC1 3231-1-08 [0,0,0,1,0,1|1,0,1]=4 108 B8R1.1 C=CC1COC(=O)C1 2H25-1-2G [0,1,0,1,0,0|1,0,1]=4 109 B8R1.1 CN1CCC(CCl)C1 3H32-5-HY [0,1,0,1,0,0|2,0,0]=4 110 B8R1.1 CN1CC[C@@H](CO)C1 4H56-1-RZ [0,1,0,1,0,0|2,0,0]=4 111 B8R1.1 CN1CC[C@H](CN)C1 3H30-1-DU [0,1,0,1,0,0|2,0,0]=4 112 B8R1.1 NCC1CNC(=O)C1 4H48-1-HY [0,1,0,1,0,0|1,0,0]=3 113 B8R1.1 NCC1CNC(=O)C1 4H48-5-B2 [0,1,0,1,0,0|1,0,0]=3 114 B8R1.1 NC[C@@H]1CCC(=O)N1 4H48-1-S0 [0,1,0,1,0,0|1,0,0]=3 115 B8R1.1 NC[C@@H]1CNC(=O)C1 4H48-1-RC [0,1,0,1,0,0|1,0,0]=3 116 B8R1.1 NC[C@@H]1CNC(=O)C1 4H48-5-R7 [0,1,0,1,0,0|1,0,0]=3 117 B8R1.4 CC1CCNC(C)C1 3H33-5-1C [0,1,0,1,0,0|1,0,1]=4 118 B8R1.4 C[C@@H]1CN(C)CCN1 4H22-1-67 [0,1,0,1,0,0|2,0,0]=4 119 B8R1.4 C[C@@H]1C[C@H](O)CCN1 4H56-5-R7 [0,1,0,1,0,0|0,0,2]=4 120 B8R1.4 C[C@H]1C[C@@H](O)CCN1 4H56-5-1R [0,1,0,1,0,0|0,0,2]=4 121 B8R1.4 O=C1CCCC(Br)C1 2217-9-0B [0,1,0,1,0,0|1,0,0]=3 122 B8R1.4 O=C1CCCC(Cl)C1 2217-5-08 [0,1,0,1,0,0|1,0,0]=3 123 B8R1.4 O=C1CSCC(=O)C1 6H18-1-01 [0,1,0,1,0,0|1,0,1]=4 124 B8R1.31 CN1CC[C@@H]1C(=O)O 4H21-1-R6 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.31 CN1CC[C@H]1C(=O)O 4H21-1-S6 [0,1,0,1,0,0|2,0,0]=4 126 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 4H21-1-AR [0,1,0,1,0,0|1,0,0]=3 127 B8R1.34 CC(=O)C=C1COC1 2H17-1-0B [0,1,0,1,0,0|0,0,2]=4 128 B8R1.34 CN(C)CC1CNC1 3H31-5-2P [0,1,0,1,0,0|2,0,0]=4 129 B8R1.34 N=C(N)CC1CCC1 3241-5-01 [0,1,0,1,0,0|2,0,0]=4 130 B8R1.34 O=C(O)CC1CNC1 4H58-5-7G [0,1,0,1,0,0|1,0,0]=3 131 B8R1.53 CC1(C)CC(CBr)C1 1200-9-0A [0,1,0,1,0,0|1,0,1]=4 132 B8R1.53 CC1(C)CC(CN)C1 3230-1-0A [0,1,0,1,0,0|1,0,1]=4 133 B8R1.54 NC(C(=O)O)C1CC1 4257-1-23 [0,1,0,1,0,0|1,0,0]=3 134 B8R1.54 N[C@H](C(=O)O)C1CC1 4257-1-S8 [0,1,0,1,0,0|1,0,0]=3 135 B8R2.43 CC12CC(N)(C1)C2 3230-5-18 [0,0,0,2,0,0|1,0,1]=4 136 B8R2.53 O=C1CC2(CC2)C1 2217-1-0E [0,0,0,2,0,0|0,0,0]=2