0 B6R0.4 CC(C)CCON 4147-5-07 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.4 CN(C)CCCBr 3132-9-02 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.4 O=C(O)\C=C\CCl 2321-5-03 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 NCCC(N)=O 4148-5-0C [1,0,0,0,0,0|1,0,0]=2 4 B5R0.1 O=C(O)\C=C\Br 2321-9-E0 [1,0,0,0,0,0|1,0,2]=4 5 B5R0.2 C#CCCCN 3533-5-03 [1,0,0,0,0,0|1,0,1]=3 6 B5R0.2 FCCCCF 1100-3-44 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.2 NCCCCCl 3130-5-07 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.2 CC(CCl)CC(=O)Cl 2116-5-20 [0,1,0,0,0,0|2,0,0]=3 9 B7R0.2 O=C(O)CC(=O)CCl 2129-5-0F [0,1,0,0,0,0|1,0,1]=3 10 B7R0.4 CNCCOC(C)=O 4133-5-03 [0,1,0,0,0,0|2,0,0]=3 11 B7R0.4 O=C(Cl)OCCCF 2123-7-29 [0,1,0,0,0,0|2,0,0]=3 12 B7R0.4 O=C(O)CCCCO 2120-1-00 [0,1,0,0,0,0|1,0,0]=2 13 B7R0.5 CC(CCCl)C(=O)Cl 2116-5-21 [0,1,0,0,0,0|2,0,0]=3 14 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [0,1,0,0,0,0|2,0,0]=3 15 B7R0.5 NCCC(F)C(=O)O 4157-3-06 [0,1,0,0,0,0|0,0,0]=1 16 B7R1.2 CC1COC(=O)N1 4H56-1-0P2 [0,0,0,1,0,0|3,0,0]=4 17 B7R1.2 CN1CC[C@@H](N)C1 3H30-1-R1 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.2 CN1CC[C@H](N)C1 3H30-1-S0 [0,0,0,1,0,0|3,0,0]=4 19 B7R1.2 NC1CNC(=O)C1 4H48-1-6A [0,0,0,1,0,0|2,0,0]=3 20 B7R1.2 N[C@@H]1CC[C@H](O)C1 4256-5-40 [0,0,0,1,0,0|1,0,1]=3 21 B7R1.2 N[C@@H]1CNC(=O)C1 4H48-5-S0 [0,0,0,1,0,0|2,0,0]=3 22 B7R1.2 N[C@H]1CC[C@@H](O)C1 4256-5-44 [0,0,0,1,0,0|1,0,1]=3 23 B7R1.2 N[C@H]1CC[C@H](O)C1 4256-5-45 [0,0,0,1,0,0|1,0,1]=3 24 B7R1.2 O[C@H]1CC[C@@H](O)C1 2204-1-0D [0,0,0,1,0,0|2,0,1]=4 25 B7R1.3 F[C@@H]1CCCNC1 3H31-7-R0 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.3 F[C@H]1CCCNC1 3H31-7-S0 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.3 OC1CCCNC1 4H56-1-909 [0,0,0,1,0,0|1,0,1]=3 28 B7R1.10 CN1CC(CN)C1 3H30-1-DT [0,0,0,1,0,0|3,0,0]=4 29 B7R1.10 COC1CC(=O)C1 2217-1-0B [0,0,0,1,0,0|3,0,0]=4 30 B7R1.10 NCC1CC(F)C1 3230-7-0D [0,0,0,1,0,0|2,0,1]=4 31 B7R1.10 NC[C@H]1C[C@H](F)C1 3230-7-02 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.10 O=C1CC(CCl)C1 2217-5-07 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.12 CC1CC1C(N)=O 4248-1-12 [0,0,0,1,0,0|2,0,0]=3 34 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 2221-1-31 [0,0,0,1,0,0|1,0,0]=2 35 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 2221-1-12 [0,0,0,1,0,0|1,0,0]=2 36 B7R1.14 N=S1(=O)CCCC1 8H69-1-3T [0,0,0,1,0,0|3,0,0]=4 37 B7R1.18 NC(=O)C1CCN1 4H48-5-2R [0,0,0,1,0,0|1,0,0]=2 38 B7R1.18 O=C(O)C1CCO1 2H21-1-68 [0,0,0,1,0,0|1,0,0]=2 39 B7R1.18 O=C(O)C1CSC1 6H66-1-63 [0,0,0,1,0,0|2,0,0]=3 40 B7R1.20 NC(=S)CC1CC1 7267-1-05 [0,0,0,1,0,0|2,1,0]=4 41 B4R0.2 C=CCNC 3331-1-01 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.1 CCNC(=O)CBr 4148-9-03 [1,1,0,0,0,0|2,0,0]=4 43 B6R0.2 CC(=O)OC(C)Cl 2123-5-21 [1,1,0,0,0,0|2,0,0]=4 44 B6R0.3 CCC(F)C(=O)O 2121-3-0L [1,1,0,0,0,0|0,0,0]=2 45 B6R0.3 NC(CF)C(=O)O 4157-3-01 [1,1,0,0,0,0|1,0,0]=3 46 B6R0.5 CC(C)(O)CCN 4130-1-X2 [1,1,0,0,0,0|1,0,1]=4 47 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 48 B8R0.5 CCCC(N)CC(=O)O 4158-1-50 [0,2,0,0,0,0|1,0,0]=3 49 B8R0.19 COC(=O)C[C@@H](O)CCl 2129-5-R0 [0,2,0,0,0,0|1,0,0]=3 50 B8R0.23 C=C(C)C[C@H](N)C(=O)O 4357-1-S3 [0,2,0,0,0,0|1,0,1]=4 51 B8R0.1 CCOC(=O)CCC#N 4137-1-0R [0,2,0,0,0,0|0,0,2]=4 52 B8R0.3 C=CC[C@H](N)C(=O)OC 4358-1-S0 [0,2,0,0,0,0|1,0,1]=4 53 B8R0.3 CCCC(Br)C(=O)OC 2123-9-0L [0,2,0,0,0,0|1,0,0]=3 54 B8R0.3 CCC[C@@H](N)C(=O)OC 4158-1-R00 [0,2,0,0,0,0|1,0,0]=3 55 B8R0.6 CCCCOC(=O)C=O 2129-1-0S [0,2,0,0,0,0|1,0,1]=4 56 B8R0.6 CCCSCC(=O)OC 6166-1-0C [0,2,0,0,0,0|1,0,0]=3 57 B8R0.6 CNCCCC(=O)OC 4133-5-00 [0,2,0,0,0,0|0,0,0]=2 58 B8R0.6 COC(=O)OCCCF 2128-3-97 [0,2,0,0,0,0|1,0,0]=3 59 B8R0.8 C#CCC[C@H](N)C(=O)O 4557-1-S1 [0,2,0,0,0,0|1,0,0]=3 60 B8R0.7 CC#CCCCC(=O)O 2521-1-09 [0,2,0,0,0,0|1,0,0]=3 61 B8R0.7 NOCCCCC(=O)O 4121-9-01 [0,2,0,0,0,0|0,0,0]=2 62 B8R0.21 COCCCS(=O)(=O)O 6164-1-20 [0,2,0,0,0,0|2,0,0]=4 63 B8R0.21 O=P(O)(O)CCCCBr 6177-9-19 [0,2,0,0,0,0|2,0,0]=4 64 B8R0.12 CC(C)(CCCl)C(=O)Cl 2116-5-25 [0,2,0,0,0,0|2,0,0]=4 65 B8R0.12 CNCC(F)(F)C(=O)O 4157-7-06 [0,2,0,0,0,0|2,0,0]=4 66 B8R0.29 CC(C)(S)CCC(=O)O 6161-1-10 [0,2,0,0,0,0|1,0,0]=3 67 B6R1.2 O=C1CCNN1 4H48-5-FV [1,0,0,1,0,0|1,0,0]=3 68 B6R1.5 C=C1CC(N)C1 3330-5-00 [1,0,0,1,0,0|2,0,0]=4 69 B6R1.5 CN1CC(=O)C1 4H17-5-2E [1,0,0,1,0,0|2,0,0]=4 70 B6R1.5 O=C1CC(Br)C1 2217-9-03 [1,0,0,1,0,0|2,0,0]=4 71 B6R1.5 O=C1CC(F)C1 2217-3-0D [1,0,0,1,0,0|2,0,0]=4 72 B6R1.5 O=C1CC(O)C1 2220-1-00 [1,0,0,1,0,0|2,0,0]=4 73 B6R1.4 N[C@@H]1CC[C@@H]1O 4256-5-Z2 [1,0,0,1,0,0|0,0,1]=3 74 B6R1.6 BrCC1CCO1 2H10-9-36 [1,0,0,1,0,0|1,0,1]=4 75 B6R1.6 NCC1COC1 4H56-1-79 [1,0,0,1,0,0|2,0,0]=4 76 B6R1.6 O=CC1COC1 2H15-1-22 [1,0,0,1,0,0|2,0,0]=4 77 B6R1.6 OC[C@H]1CCN1 4H56-1-R9 [1,0,0,1,0,0|0,0,1]=3 78 B8R1.1 C=CC1COC(=O)C1 2H25-1-2G [0,1,0,1,0,0|1,0,1]=4 79 B8R1.1 NCC1CNC(=O)C1 4H48-1-HY [0,1,0,1,0,0|1,0,0]=3 80 B8R1.1 NCC1CNC(=O)C1 4H48-5-B2 [0,1,0,1,0,0|1,0,0]=3 81 B8R1.1 NC[C@@H]1CCC(=O)N1 4H48-1-S0 [0,1,0,1,0,0|1,0,0]=3 82 B8R1.1 NC[C@@H]1CNC(=O)C1 4H48-1-RC [0,1,0,1,0,0|1,0,0]=3 83 B8R1.1 NC[C@@H]1CNC(=O)C1 4H48-5-R7 [0,1,0,1,0,0|1,0,0]=3 84 B8R1.4 O=C1CCCC(Br)C1 2217-9-0B [0,1,0,1,0,0|2,0,0]=4 85 B8R1.4 O=C1CCCC(Cl)C1 2217-5-08 [0,1,0,1,0,0|2,0,0]=4 86 B8R1.31 CN1CC[C@@H]1C(=O)O 4H21-1-R6 [0,1,0,1,0,0|0,0,0]=2 87 B8R1.31 CN1CC[C@H]1C(=O)O 4H21-1-S6 [0,1,0,1,0,0|0,0,0]=2 88 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 4H21-1-AR [0,1,0,1,0,0|0,0,0]=2 89 B8R1.34 O=C(O)CC1CNC1 4H58-5-7G [0,1,0,1,0,0|0,0,0]=2 90 B8R1.2 OCC1CCCNC1 4H56-1-910 [0,1,0,1,0,0|1,0,1]=4 91 B8R1.3 N[C@H]1CCC(=O)NC1 4H48-5-SH [0,1,0,1,0,0|1,0,0]=3 92 B8R1.3 O=C1CCC(Br)CC1 2217-9-01 [0,1,0,1,0,0|2,0,0]=4 93 B8R1.3 O=C1CCC(F)CC1 2217-3-06 [0,1,0,1,0,0|2,0,0]=4 94 B8R1.5 O[C@H]1CNCC[C@@H]1F 4H56-7-68 [0,1,0,1,0,0|1,0,1]=4 95 B8R1.22 C=C1OCCCCO1 2H10-1-71 [0,1,0,1,0,0|2,0,0]=4 96 B8R1.38 O=C(CBr)C1CCC1 2217-9-0A [0,1,0,1,0,0|2,0,0]=4 97 B8R1.47 CO[C@H]1C[C@@H](CN)C1 4256-5-Z1 [0,1,0,1,0,0|1,0,1]=4 98 B8R1.47 CO[C@H]1C[C@H](CN)C1 4256-5-E1 [0,1,0,1,0,0|1,0,1]=4 99 B8R1.52 C[C@]1(CO)CCCN1 4H56-5-A4 [0,1,0,1,0,0|1,0,1]=4 100 B8R1.7 CC(=O)N1CCCC1 4H48-1-0A0 [0,1,0,1,0,0|2,0,0]=4 101 B8R1.7 NC(=O)N1CCCC1 4H48-1-A4 [0,1,0,1,0,0|2,0,0]=4 102 B8R1.7 NC(=O)[C@H]1CCNC1 4H48-5-S9 [0,1,0,1,0,0|1,0,0]=3 103 B8R1.7 O=C(O)[C@H]1CCOC1 2H21-1-S0 [0,1,0,1,0,0|1,0,0]=3 104 B8R1.23 CC(=O)C1CC(O)C1 2229-1-0T [0,1,0,1,0,0|2,0,0]=4 105 B8R1.23 CC(C)C1CC(=O)N1 4H48-1-019 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 2221-1-30 [0,1,0,1,0,0|1,0,0]=3 107 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 4257-1-27 [0,1,0,1,0,0|0,0,0]=2 108 B8R1.23 O=C(O)C1CC(Cl)C1 2221-5-05 [0,1,0,1,0,0|1,0,0]=3 109 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 2221-3-Z2 [0,1,0,1,0,0|1,0,0]=3 110 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 2221-5-E0 [0,1,0,1,0,0|1,0,0]=3 111 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 2221-3-E2 [0,1,0,1,0,0|1,0,0]=3 112 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 2229-1-E2 [0,1,0,1,0,0|1,0,0]=3 113 B8R1.23 O=C1CC(C(F)F)C1 2217-3-01 [0,1,0,1,0,0|2,0,0]=4 114 B8R1.54 NC(C(=O)O)C1CC1 4257-1-23 [0,1,0,1,0,0|1,0,0]=3 115 B8R1.54 N[C@H](C(=O)O)C1CC1 4257-1-S8 [0,1,0,1,0,0|1,0,0]=3 116 B8R1.78 CC1(C(=O)O)CNC1 4H58-5-7H [0,1,0,1,0,0|2,0,0]=4 117 B8R1.78 O=C(O)C1(F)CNC1 4H21-3-4U [0,1,0,1,0,0|2,0,0]=4 118 B8R1.55 CC(C)(O)C1CCN1 4H03-5-09 [0,1,0,1,0,0|1,0,1]=4 119 B8R1.55 CC(C)(O)[C@@H]1CCN1 4H03-5-S0 [0,1,0,1,0,0|1,0,1]=4 120 B8R1.55 CC(C)(O)[C@H]1CCN1 4H03-5-R0 [0,1,0,1,0,0|1,0,1]=4 121 B8R2.53 O=C1CC2(CC2)C1 2217-1-0E [0,0,0,2,0,0|2,0,0]=4