0 B7R0.5 CCOC(=O)C(=O)C BC676704 [0,0,0,0,0,0|0,0,0]=0 1 B7R0.5 CCOC(=O)C(C)F BC221922 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.5 CCOC(=O)[C@H](C)O BC678545 [0,0,0,0,0,0|0,0,2]=2 3 B6R0.1 CCOC(=O)C#C BC219557 [1,0,0,0,0,0|0,0,2]=3 4 B6R0.1 CCOC(=O)C=O BC222485 [1,0,0,0,0,0|0,0,0]=1 5 B6R0.1 CCOC(=O)CBr BC206664 [1,0,0,0,0,0|1,0,1]=3 6 B6R0.1 CCOC(=O)CN BC676695 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.1 CCOC(=O)NO BC202244 [1,0,0,0,0,0|1,0,1]=3 8 B6R0.1 COC(=O)CCS BC219495 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.3 C(C(=O)C(=O)O)Br BC213512 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.3 CC(=C)C(=O)OC BC222747 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.3 CC(=O)C(=O)CBr BC241276 [1,0,0,0,0,0|1,0,0]=2 12 B6R0.3 CC(=O)N(C)OC BC210650 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.3 CC[C@@H](C(=O)N)N BC209264 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.3 CC[C@@H](C(=O)O)N BC221729 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.3 CC[C@H](C(=O)O)N BC681077 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.3 CN(C)C(=O)CCl BC208319 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.3 COC(=O)C(=C)F BC219448 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.3 C\C=C(/C)\C(=O)O BC206708 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.4 C(\C=C\C(=O)O)O BC224091 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.4 CC(=O)OCCBr BC677702 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.3 CCOC(=O)C(=O)CBr BC219415 [0,1,0,0,0,0|0,0,0]=1 22 B8R0.3 CCOC(=O)C(C#N)N BC652474 [0,1,0,0,0,0|1,0,2]=4 23 B8R0.3 CCOC(=O)C(CO)N BC689092 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.3 CCOC(=O)\C(=N/O)\Cl BC679702 [0,1,0,0,0,0|1,0,1]=3 25 B8R0.8 CC(=C)C(=O)NCCO BC669167 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.14 CC(C)(C)C(=O)OCI BC213776 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.14 CCOC(=O)C(C)(C)Br BC228650 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.14 CCOC(=O)C(F)(F)Br BC209678 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.14 CCOC(=O)C(F)(F)Cl BC207148 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.14 CCOC(=O)C(F)(F)F BC201646 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.23 CC(C)CC(=O)C(=O)[O-] BC219743 [0,1,0,0,0,0|2,0,0]=3 32 B8R0.23 C[C@H](C(=O)OC(C)C)N BC600251 [0,1,0,0,0,0|1,0,1]=3 33 B8R1.5 C1CCC(=O)C(=O)C1 BC680226 [0,0,0,1,0,0|1,0,0]=2 34 B8R1.5 C1CCC(=O)C(C1)Br BC221238 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.5 C1CCN(C(=O)C1)N BC682035 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.5 C1CN(C(=O)OC1)N BC636881 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.7 C1CC(OC1)C(=O)O BC226570 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.7 C1C[C@@H](OC1)C(=O)O BC209033 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.7 CC(=O)C1CCCC1 BC225383 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.37 CCOC(=O)C1CC1 BC207703 [0,0,0,1,0,0|1,0,1]=3 41 B8R0.5 CC(C)OC(=O)OCCl BC201072 [0,0,0,0,0,1|2,0,1]=4 42 B8R0.5 CCOC(=O)C=C(C)C BC201331 [0,0,0,0,0,1|1,0,0]=2 43 B8R0.5 CCOC(=O)CC(=O)C BC202411 [0,0,0,0,0,1|0,0,0]=1 44 B8R0.5 CCOC(=O)CC(=O)[O-] BC225996 [0,0,0,0,0,1|1,0,0]=2 45 B8R0.5 CCOC(=O)CC(C)O BC219465 [0,0,0,0,0,1|0,0,2]=3 46 B8R0.5 CCOC(=O)C[N+](=O)[O-] BC206204 [0,0,0,0,0,1|2,0,0]=3 47 B8R0.5 CCOC(=O)OC(C)I BC215870 [0,0,0,0,0,1|1,0,1]=3 48 B8R0.5 CCOC(=O)\C=C(/C)\N BC204111 [0,0,0,0,0,1|1,0,0]=2 49 B5R0.1 CC(=CCBr)C BC211224 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.1 CC(=O)\C=N/O BC671081 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.1 CCOC(=O)Cl BC222115 [2,0,0,0,0,0|1,0,0]=3 52 B5R0.1 C\C=C\C(=O)O BC206359 [2,0,0,0,0,0|1,0,1]=4 53 B5R0.3 COC(=O)C=C BC222749 [2,0,0,0,0,0|0,0,1]=3 54 B5R0.3 COC(=O)C=O BC202567 [2,0,0,0,0,0|0,0,0]=2 55 B5R0.3 COC(=O)CN BC215108 [2,0,0,0,0,0|1,0,1]=4 56 B5R0.3 COC(=O)OC BC205807 [2,0,0,0,0,0|1,0,0]=3 57 B5R0.5 CC(=C)C(=O)Cl BC216466 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.5 CC(=C)C(=O)O BC675577 [2,0,0,0,0,0|1,0,0]=3 59 B5R0.5 CC(=O)C(=O)O BC216002 [2,0,0,0,0,0|0,0,0]=2 60 B5R0.5 CC(=O)C(=O)[O-] BC630684 [2,0,0,0,0,0|0,0,1]=3 61 B5R0.5 CC(=O)N(C)C BC204203 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.5 CC(C(=O)C)Br BC202460 [2,0,0,0,0,0|1,0,1]=4 63 B5R0.5 CC(C(=O)O)Br BC226871 [2,0,0,0,0,0|1,0,1]=4 64 B5R0.5 C[C@@H](C(=O)O)N BC677968 [2,0,0,0,0,0|1,0,1]=4 65 B5R0.5 C[C@@H](C(=O)O)O BC207702 [2,0,0,0,0,0|0,0,2]=4 66 B7R0.2 C[C@@H](CC(=O)OC)O BC228164 [1,1,0,0,0,0|2,0,0]=4 67 B7R0.3 C=CC(=O)OCCO BC222742 [1,1,0,0,0,0|0,0,1]=3 68 B7R0.3 COCCC(=O)OC BC210937 [1,1,0,0,0,0|2,0,0]=4 69 B7R0.7 CCCC(=O)OCCl BC203403 [1,1,0,0,0,0|1,0,1]=4 70 B7R0.7 CCOC(=C)OCC BC669056 [1,1,0,0,0,0|1,0,1]=4 71 B7R0.7 CCOC(=O)CC=O BC222385 [1,1,0,0,0,0|0,0,0]=2 72 B7R0.7 CCOC(=O)CNN BC205934 [1,1,0,0,0,0|1,0,1]=4 73 B7R0.7 CCOC(=O)C[N+]#[C-] BC227203 [1,1,0,0,0,0|0,0,2]=4 74 B7R0.7 CCOC(=O)OCCl BC213797 [1,1,0,0,0,0|1,0,0]=3 75 B7R0.14 CC(C)(C(=O)OC)Br BC202292 [1,1,0,0,0,0|1,0,1]=4 76 B7R0.14 CC(C)(C(=O)OC)F BC645426 [1,1,0,0,0,0|1,0,1]=4 77 B7R0.15 CC(=O)C(OC)OC BC218825 [1,1,0,0,0,0|0,0,2]=4 78 B9R0.4 CC(=O)CC(=O)OCC=C BC677519 [0,1,0,0,0,1|0,0,1]=3 79 B9R0.34 CCC(=O)CC(=O)OCC BC222577 [0,1,0,0,0,1|0,0,0]=2 80 B9R0.34 CCOC(=O)CC(=O)CBr BC202412 [0,1,0,0,0,1|0,0,0]=2 81 B9R0.34 CCOC(=O)CC(=O)CCl BC216385 [0,1,0,0,0,1|0,0,0]=2 82 B9R0.34 CCOC(=O)CC(=O)NC BC209285 [0,1,0,0,0,1|0,0,0]=2 83 B9R0.34 CCOC(=O)C[C@@H](CI)O BC219633 [0,1,0,0,0,1|0,0,2]=4 84 B9R0.34 CCOC(=O)C[C@H](CCl)O BC202107 [0,1,0,0,0,1|0,0,2]=4 85 B9R0.34 COCC(=O)CC(=O)OC BC201350 [0,1,0,0,0,1|2,0,0]=4 86 B9R0.53 CC(C)OC(=O)OC(C)Cl BC213794 [0,1,0,0,0,1|1,0,1]=4 87 B9R0.53 CC(C)OC(=O)OC(C)I BC215868 [0,1,0,0,0,1|1,0,1]=4 88 B9R0.53 CC(C)OC(=O)\C=C(\C)/N BC203968 [0,1,0,0,0,1|1,0,0]=3 89 B9R0.35 CCOC(=O)C(=O)OCC BC210751 [0,2,0,0,0,0|0,0,0]=2 90 B9R0.35 CCOC(C(=O)OCC)Cl BC685086 [0,2,0,0,0,0|1,0,1]=4 91 B9R0.37 CCC(C#N)C(=O)OCC BC683114 [0,2,0,0,0,0|1,0,1]=4 92 B9R0.37 CCOC(=O)C(C=O)C=O BC684655 [0,2,0,0,0,0|0,0,2]=4 93 B9R0.57 C[C@H](C(=O)OC(C)(C)C)N BC227828 [0,2,0,0,0,0|1,0,1]=4 94 B7R1.1 C1CC(OC1)C=O BC677017 [1,0,0,1,0,0|1,0,1]=4 95 B7R1.3 C1CCC(=O)CC1 BC214118 [1,0,0,1,0,0|1,0,1]=4 96 B7R1.3 C1COC(=O)CO1 BC683885 [1,0,0,1,0,0|0,0,2]=4 97 B7R1.3 C1COC(=O)OC1 BC201342 [1,0,0,1,0,0|1,0,0]=3 98 B7R1.4 C1COC(=O)[C@@H]1N BC679085 [1,0,0,1,0,0|1,0,1]=4 99 B7R1.4 CC1CCNC1=O BC676006 [1,0,0,1,0,0|1,0,1]=4 100 B7R1.4 CN1CCCC1=O BC675578 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.4 CN1CCNC1=O BC207797 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.19 CC(=O)C1(CC1)C BC202064 [1,0,0,1,0,0|1,0,1]=4 103 B9R1.7 CCOC1CCC(=O)N1 BC206926 [0,0,0,1,0,1|1,0,1]=4 104 B9R1.41 CC(=O)N1CCNC1=O BC211182 [0,0,0,1,0,1|1,0,0]=3 105 B9R1.37 CC1C(=O)C(=C(O1)C)O BC207038 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.11 COC(=O)C1CCCO1 BC219007 [0,1,0,1,0,0|1,0,1]=4 107 B9R1.73 CCOC(=O)C1CNC1 BC688070 [0,1,0,1,0,0|1,0,1]=4 108 B9R1.35 Cc1ccc(o1)C(=O)C BC218741 [0,1,0,1,0,0|1,0,1]=4 109 B9R0.48 CCOC(=O)CNC(=O)C BC215107 [0,0,0,0,0,2|0,0,0]=2 110 B9R0.48 CCOC(=O)\C=C\N(C)C BC210095 [0,0,0,0,0,2|2,0,0]=4 111 B9R0.48 CCOC(=O)\C=C\N(C)C BC675422 [0,0,0,0,0,2|2,0,0]=4