0 B5R0.1 C=CCC(C)N 3230-5-0A [0,0,0,0,0,0|1,0,3]=4 1 B5R0.1 NCCC(N)=O 4148-5-0C [0,0,0,0,0,0|1,0,0]=1 2 B5R0.1 O=C(O)\C=C\Br 2321-9-E0 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 C=C(Cl)CI 1300-M-01 [1,0,0,0,0,0|3,0,0]=4 4 B4R0.1 CC(N)CF 3130-7-09 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.1 CNC(C)=S 7167-1-41 [1,0,0,0,0,0|2,1,0]=4 6 B4R0.2 C=CCNC 3331-1-01 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.1 CCNC(=O)CBr 4148-9-03 [0,1,0,0,0,0|2,0,0]=3 8 B6R0.2 CC(=O)OC(C)Cl 2123-5-21 [0,1,0,0,0,0|2,0,0]=3 9 B6R0.2 C[C@@H](N)CN(C)C 3132-5-R0 [0,1,0,0,0,0|2,0,1]=4 10 B6R0.2 C[C@H](N)CN(C)C 3132-5-S0 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.3 CCC(F)C(=O)O 2121-3-0L [0,1,0,0,0,0|1,0,0]=2 12 B6R0.3 NC(CF)C(=O)O 4157-3-01 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.4 CN(C)CCCBr 3132-9-02 [0,1,0,0,0,0|3,0,0]=4 14 B6R0.4 O=C(O)\C=C\CCl 2321-5-03 [0,1,0,0,0,0|1,0,2]=4 15 B6R0.5 CC(C)(N)CCO 4156-5-18 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.5 CCC[B-](F)(F)F 5160-3-06 [0,1,0,0,0,0|3,0,0]=4 17 B6R1.2 C[C@H]1CCCN1 3H31-1-S2 [0,0,0,1,0,0|1,0,1]=3 18 B6R1.2 O=C1CCNN1 4H48-5-FV [0,0,0,1,0,0|1,0,0]=2 19 B6R1.5 C=C1CC(N)C1 3330-5-00 [0,0,0,1,0,0|3,0,0]=4 20 B6R1.5 CN1CC(=O)C1 4H17-5-2E [0,0,0,1,0,0|2,0,0]=3 21 B6R1.5 C[C@H]1C[C@@H](N)C1 3230-5-Z1 [0,0,0,1,0,0|1,0,1]=3 22 B6R1.5 NC1CC(F)C1 3230-7-04 [0,0,0,1,0,0|2,0,1]=4 23 B6R1.5 NN1CC(O)C1 4H56-5-NP [0,0,0,1,0,0|3,0,0]=4 24 B6R1.5 N[C@H]1C[C@@H](N)C1 3230-5-13 [0,0,0,1,0,0|2,0,1]=4 25 B6R1.5 O=C1CC(Br)C1 2217-9-03 [0,0,0,1,0,0|2,0,0]=3 26 B6R1.5 O=C1CC(F)C1 2217-3-0D [0,0,0,1,0,0|2,0,0]=3 27 B6R1.5 O=C1CC(O)C1 2220-1-00 [0,0,0,1,0,0|2,0,0]=3 28 B6R1.10 CC1(N)CNC1 3H30-5-3Y [0,0,0,1,0,0|2,0,1]=4 29 B3R0.1 C\C=C\F 1300-3-PX [2,0,0,0,0,0|1,0,1]=4 30 B3R0.2 O=C(F)F 2116-2-02 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.5 O=C(F)C(F)F 2116-3-03 [1,1,0,0,0,0|2,0,0]=4 32 B5R0.5 O=C([O-])C(F)F 2122-2-21 [1,1,0,0,0,0|2,0,0]=4 33 B5R0.2 C#CCCCN 3533-5-03 [1,1,0,0,0,0|0,0,2]=4 34 B5R0.2 CCO\C=C/Br 2307-9-01 [1,1,0,0,0,0|1,0,1]=4 35 B5R0.2 CNCCSC 7166-5-02 [1,1,0,0,0,0|1,0,1]=4 36 B5R0.2 FCCCCF 1100-3-44 [1,1,0,0,0,0|1,0,1]=4 37 B5R0.2 NCCCCCl 3130-5-07 [1,1,0,0,0,0|0,0,1]=3 38 B7R0.2 CC(C)CC(=O)CBr 2117-9-09 [0,2,0,0,0,0|1,0,0]=3 39 B7R0.2 CC(C)CC(N)C#N 3137-1-17 [0,2,0,0,0,0|1,0,1]=4 40 B7R0.2 CC(C)NC(=O)CBr 4148-9-0A [0,2,0,0,0,0|2,0,0]=4 41 B7R0.2 CC(CCl)CC(=O)Cl 2116-5-20 [0,2,0,0,0,0|1,0,0]=3 42 B7R0.2 COC(=O)CC(=N)N 4158-5-51 [0,2,0,0,0,0|1,0,1]=4 43 B7R0.2 O=C(O)CC(=O)CCl 2129-5-0F [0,2,0,0,0,0|1,0,1]=4 44 B7R0.5 CC(CCCl)C(=O)Cl 2116-5-21 [0,2,0,0,0,0|1,0,0]=3 45 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [0,2,0,0,0,0|1,0,0]=3 46 B7R0.5 CCCC(F)=C(F)F 1300-3-00 [0,2,0,0,0,0|2,0,0]=4 47 B7R0.5 NCCC(F)C(=O)O 4157-3-06 [0,2,0,0,0,0|1,0,0]=3 48 B7R0.10 CN[C@H](C)C(=O)OC 4158-5-RJ [0,2,0,0,0,0|2,0,0]=4 49 B7R0.10 COC(=O)C(O)CN 4158-5-50 [0,2,0,0,0,0|2,0,0]=4 50 B7R0.10 COC(=O)[C@H](C)CO 2129-1-RC [0,2,0,0,0,0|2,0,0]=4 51 B7R0.9 CS(=O)(=O)CC(N)=O 8163-1-00 [0,2,0,0,0,0|1,0,0]=3 52 B7R0.9 NC(=O)CC(F)(F)F 4148-3-0F [0,2,0,0,0,0|1,0,0]=3 53 B7R0.16 C=C(C)[C@@H](N)C(=O)O 4357-5-R0 [0,2,0,0,0,0|1,0,1]=4 54 B7R0.16 CC(C)C(F)C(=O)O 2121-3-0K [0,2,0,0,0,0|1,0,0]=3 55 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 4157-1-44 [0,2,0,0,0,0|1,0,0]=3 56 B7R0.13 CCC(C)(C)[S@](N)=O 8169-1-R3 [0,2,0,0,0,0|1,0,0]=3 57 B7R0.4 CNCCOC(C)=O 4133-5-03 [0,2,0,0,0,0|1,0,0]=3 58 B7R0.4 O=C(Cl)OCCCF 2123-7-29 [0,2,0,0,0,0|1,0,0]=3 59 B7R0.4 O=C(O)CCCCO 2120-1-00 [0,2,0,0,0,0|1,0,0]=3 60 B5R1.2 CC1CCN1 3H31-5-4U [1,0,0,1,0,0|1,0,1]=4 61 B7R1.1 FC[C@@H]1CCCN1 3H31-7-58 [0,1,0,1,0,0|1,0,1]=4 62 B7R1.1 NC[C@H]1CCCN1 3H30-1-2R [0,1,0,1,0,0|1,0,1]=4 63 B7R1.2 CC1CCC(C)N1 3H31-5-0R [0,1,0,1,0,0|1,0,1]=4 64 B7R1.2 CC1CNC(=S)N1 7H67-1-34 [0,1,0,1,0,0|0,1,0]=3 65 B7R1.2 CC1COC(=O)N1 4H56-1-0P2 [0,1,0,1,0,0|0,0,0]=2 66 B7R1.2 CN1CC[C@@H](N)C1 3H30-1-R1 [0,1,0,1,0,0|1,0,1]=4 67 B7R1.2 CN1CC[C@H](N)C1 3H30-1-S0 [0,1,0,1,0,0|1,0,1]=4 68 B7R1.2 NC1CNC(=O)C1 4H48-1-6A [0,1,0,1,0,0|0,0,0]=2 69 B7R1.2 N[C@@H]1CC[C@H](O)C1 4256-5-40 [0,1,0,1,0,0|1,0,1]=4 70 B7R1.2 N[C@@H]1CNC(=O)C1 4H48-5-S0 [0,1,0,1,0,0|0,0,0]=2 71 B7R1.2 N[C@H]1CC[C@@H](O)C1 4256-5-44 [0,1,0,1,0,0|1,0,1]=4 72 B7R1.2 N[C@H]1CC[C@H](O)C1 4256-5-45 [0,1,0,1,0,0|1,0,1]=4 73 B7R1.3 F[C@@H]1CCCNC1 3H31-7-R0 [0,1,0,1,0,0|1,0,1]=4 74 B7R1.3 F[C@H]1CCCNC1 3H31-7-S0 [0,1,0,1,0,0|1,0,1]=4 75 B7R1.3 OC1CCCNC1 4H56-1-909 [0,1,0,1,0,0|0,0,2]=4 76 B7R1.3 S=C1NCCCS1 7H67-1-28 [0,1,0,1,0,0|0,1,0]=3 77 B7R1.4 N[C@@H]1CCC[C@@H]1O 4256-5-30 [0,1,0,1,0,0|0,0,2]=4 78 B7R1.4 O=C1CCCC1Br 2215-9-00 [0,1,0,1,0,0|1,0,0]=3 79 B7R1.4 O=C1OCC[C@@H]1O 2H29-1-S0 [0,1,0,1,0,0|1,0,0]=3 80 B7R1.8 O=C1CCC1CO 2220-1-06 [0,1,0,1,0,0|2,0,0]=4 81 B7R1.10 COC1CC(=O)C1 2217-1-0B [0,1,0,1,0,0|1,0,0]=3 82 B7R1.10 COC1CC(N)C1 4256-5-06 [0,1,0,1,0,0|1,0,1]=4 83 B7R1.10 CO[C@H]1C[C@H](N)C1 4256-5-22 [0,1,0,1,0,0|1,0,1]=4 84 B7R1.10 NC1CC(CO)C1 4256-5-47 [0,1,0,1,0,0|1,0,1]=4 85 B7R1.10 N[C@H]1C[C@H](CO)C1 4256-5-42 [0,1,0,1,0,0|1,0,1]=4 86 B7R1.10 O=C1CC(CCl)C1 2217-5-07 [0,1,0,1,0,0|1,0,0]=3 87 B7R1.22 NC(CO)C1CC1 4256-5-54 [0,1,0,1,0,0|0,0,2]=4 88 B7R1.22 N[C@@H](CO)C1CC1 4256-5-R2 [0,1,0,1,0,0|0,0,2]=4 89 B7R1.22 N[C@H](CO)C1CC1 4256-5-S2 [0,1,0,1,0,0|0,0,2]=4 90 B7R1.25 N#CC1(N)CCC1 3237-5-01 [0,1,0,1,0,0|1,0,1]=4 91 B7R1.25 NCC1(F)CCC1 3230-7-0F [0,1,0,1,0,0|1,0,1]=4 92 B7R1.12 CC1CC1C(N)=O 4248-1-12 [0,1,0,1,0,0|0,0,0]=2 93 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 2221-1-31 [0,1,0,1,0,0|1,0,0]=3 94 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 2221-1-12 [0,1,0,1,0,0|1,0,0]=3 95 B7R1.16 CC1(C)CC(=O)C1 2217-1-0K [0,1,0,1,0,0|1,0,0]=3 96 B7R1.16 CC1(C)CC(N)C1 3230-5-0E [0,1,0,1,0,0|1,0,1]=4 97 B7R1.16 CC1(F)CC(N)C1 3230-7-0E [0,1,0,1,0,0|1,0,1]=4 98 B7R1.16 CC1(N)CC(=O)C1 4256-5-0F [0,1,0,1,0,0|1,0,0]=3 99 B7R1.16 CC1(N)CC(F)C1 3230-7-0G [0,1,0,1,0,0|1,0,1]=4 100 B7R1.16 C[C@]1(N)C[C@@H](O)C1 4256-5-38 [0,1,0,1,0,0|1,0,1]=4 101 B7R1.16 C[C@]1(N)C[C@H](O)C1 4256-5-18 [0,1,0,1,0,0|1,0,1]=4 102 B7R1.16 C[C@]1(O)C[C@@H](N)C1 4256-5-19 [0,1,0,1,0,0|1,0,1]=4 103 B7R1.16 C[C@]1(O)C[C@H](N)C1 4256-5-20 [0,1,0,1,0,0|1,0,1]=4 104 B7R1.20 NC(=S)CC1CC1 7267-1-05 [0,1,0,1,0,0|0,1,0]=3 105 B7R1.18 CC(N)C1CCC1 3230-5-0B [0,1,0,1,0,0|1,0,1]=4 106 B7R1.18 NC(=O)C1CCN1 4H48-5-2R [0,1,0,1,0,0|0,0,0]=2 107 B7R1.18 O=C(O)C1CCO1 2H21-1-68 [0,1,0,1,0,0|1,0,0]=3 108 B7R1.18 O=C(O)C1CSC1 6H66-1-63 [0,1,0,1,0,0|1,0,0]=3 109 B7R1.19 CC(N)C1(C)CC1 3231-5-0A [0,1,0,1,0,0|1,0,1]=4 110 B7R1.19 CC1(C(N)=O)CC1 4248-1-0B [0,1,0,1,0,0|0,0,0]=2 111 B7R1.14 CC1(N)CCCC1 3230-5-22 [0,1,0,1,0,0|1,0,1]=4 112 B7R1.14 N=S1(=O)CCCC1 8H69-1-3T [0,1,0,1,0,0|1,0,1]=4 113 B7R2.11 C1NC2CC1C2 3H31-5-0M [0,0,0,2,0,0|1,0,1]=4 114 B7R2.5 NC12CC(C1)C2 3230-H-00 [0,0,0,2,0,0|1,0,1]=4