0 B8R0.28 CC(=O)NCCC(=O)O 1046091 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.28 CC(=O)O[Co]OC(C)=O 22430586 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.28 CC(=O)O[Cu]OC(C)=O 6057335 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.28 CC(=O)O[Mn]OC(C)=O 22430377 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.28 CC(=O)O[Zn]OC(C)=O 22430376 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.28 CC(C)CNCC(C)C 1778769 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.28 CC(C)C[AlH4]CC(C)C 2818888 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.4 CC(=O)CCCC#N 1287039 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.4 CC(=O)NCCC#N 1023291 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 CC(=O)NCCCN 1137947 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.4 CC(=O)NCCCO 1014746 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.4 CC(=O)NCCON 1366560 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.4 CC(C)CCCCN 2204705 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.4 CC(C)CCN=C=O 1055560 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.4 CC(C)CCON=O 2817188 [1,0,0,0,0,0|1,0,0]=2 15 B7R0.4 CC(C)OCCCN 1147317 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.4 CCCCNC(N)=O 1778647 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.4 CNCCCC(C)C 2400637 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.4 CSCCCC(=O)O 2122646 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.4 NCCCCC(=O)O 2817193 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.4 O=C(O)CCCCBr 22430367 [1,0,0,0,0,0|3,0,0]=4 21 B9R0.1 CC(C)CCOC(=O)CCl 22430378 [0,1,0,0,0,0|0,0,0]=1 22 B9R0.53 CC(=O)CC(=O)OC(C)C 2828123 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.53 CC(C)CC(O)CC(=O)O 1779113 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.66 CC1(C)COCC(=O)N1 1032197 [0,0,0,1,0,0|3,0,0]=4 25 B7R0.6 CC(=O)CCC(=O)O 2825979 [0,0,0,0,1,0|2,0,1]=4 26 B7R0.6 CC(=O)CCC(C)=O 2825897 [0,0,0,0,1,0|1,0,1]=3 27 B7R0.6 CC(=O)CNC(C)=O 3354373 [0,0,0,0,1,0|2,0,1]=4 28 B7R0.6 CC(=O)CSC(C)C 2652748 [0,0,0,0,1,0|1,0,0]=2 29 B7R0.6 CC(=O)OCC(N)=S 11186116 [0,0,0,0,1,0|2,0,1]=4 30 B7R0.6 CC(=O)\C=C\N(C)C 6923420 [0,0,0,0,1,0|1,0,2]=4 31 B7R0.6 CC(C)CNC(N)=O 1778648 [0,0,0,0,1,0|2,0,0]=3 32 B7R0.6 CC(C)COC(=O)Cl 2827151 [0,0,0,0,1,0|1,0,0]=2 33 B7R0.6 CC(C)SCC(=O)O 7020300467 [0,0,0,0,1,0|2,0,0]=3 34 B7R0.6 CN(C)CCC(=O)O 1901686 [0,0,0,0,1,0|2,0,0]=3 35 B7R0.6 CN(C)CCN(C)C 1778668 [0,0,0,0,1,0|3,0,0]=4 36 B9R0.55 CC(=O)NCCNC(C)=O 2828141 [0,0,0,0,0,1|2,0,1]=4 37 B6R0.4 C#CCOC(C)=O 5012745 [2,0,0,0,0,0|0,0,2]=4 38 B6R0.4 CC(=O)CCCCl 1655122 [2,0,0,0,0,0|1,0,0]=3 39 B6R0.4 CC(=O)NCCN 1137830 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.4 CC(=O)OCC#N 11186112 [2,0,0,0,0,0|1,0,1]=4 41 B6R0.4 CC(=O)OCCBr 5662412 [2,0,0,0,0,0|1,0,0]=3 42 B6R0.4 CC(C)CN=C=O 1055522 [2,0,0,0,0,0|1,0,1]=4 43 B6R0.4 CCCCC(=O)O 2825609 [2,0,0,0,0,0|1,0,0]=3 44 B6R0.4 CCCCC(C)=O 1366517 [2,0,0,0,0,0|0,0,0]=2 45 B6R0.4 CCCNC(C)C 1366523 [2,0,0,0,0,0|1,0,1]=4 46 B6R0.4 COCCC(=O)O 2816856 [2,0,0,0,0,0|2,0,0]=4 47 B6R0.4 NC(=O)CCCCl 4787221 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.4 NCCCC(=O)O 2825632 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.4 NCCCC(N)=O 15298719 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.4 O=C(Cl)CCCCl 2827553 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.4 O=C(Cl)OCCCl 2827886 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.6 CCCCNCC 1366521 [2,0,0,0,0,0|1,0,1]=4 53 B6R0.6 CCOCCCN 1147303 [2,0,0,0,0,0|1,0,1]=4 54 B6R0.6 CCOCOCC 2825652 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.6 NCCCNC=O 7020420408 [2,0,0,0,0,0|2,0,0]=4 56 B8R0.6 CCCCNC(=O)CCl 1889827 [1,1,0,0,0,0|1,0,0]=3 57 B8R0.6 CCCCOC(=O)CBr 3585844 [1,1,0,0,0,0|0,0,0]=2 58 B8R0.6 COC(=O)CCCCO 15075354 [1,1,0,0,0,0|2,0,0]=4 59 B8R0.6 COCCNC(=O)CCl 1892862 [1,1,0,0,0,0|2,0,0]=4 60 B8R0.6 COCCOC(=O)CBr 3585871 [1,1,0,0,0,0|1,0,0]=3 61 B8R0.6 COCCOC(=O)CCl 3585829 [1,1,0,0,0,0|1,0,0]=3 62 B8R0.6 O=C(CCl)NCCCO 1898196 [1,1,0,0,0,0|2,0,0]=4 63 B8R0.7 CC(=O)NCCCCN 1138062 [1,1,0,0,0,0|1,0,0]=3 64 B8R0.7 CC(=O)NCCCCO 1273336 [1,1,0,0,0,0|1,0,0]=3 65 B8R0.7 CC(=O)OCCCCCl 22430491 [1,1,0,0,0,0|0,0,0]=2 66 B8R0.7 CCCCCCC(=O)O 2826683 [1,1,0,0,0,0|2,0,0]=4 67 B8R0.7 CCCCCNC(N)=O 1778785 [1,1,0,0,0,0|2,0,0]=4 68 B8R0.7 CCCNCCC(=O)O 3644512 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.7 COCCOCC(=O)O 2826982 [1,1,0,0,0,0|2,0,0]=4 70 B8R0.7 NCCCCCC(=O)O 2826759 [1,1,0,0,0,0|2,0,0]=4 71 B8R0.7 NCCCCCC(N)=O 1375201 [1,1,0,0,0,0|2,0,0]=4 72 B8R0.7 O=C(Cl)CCCCCCl 11186413 [1,1,0,0,0,0|2,0,0]=4 73 B8R0.7 O=C(O)CCCCCBr 972804 [1,1,0,0,0,0|2,0,0]=4 74 B8R0.7 O=C([O-])CCCCCCl 22430569 [1,1,0,0,0,0|2,0,0]=4 75 B8R0.8 CCCCC(Br)C(=O)O 2960273 [1,1,0,0,0,0|2,0,0]=4 76 B8R0.8 CCCCC(N)C(=O)O 2826762 [1,1,0,0,0,0|2,0,0]=4 77 B8R0.23 CC(=O)CC(=O)N(C)C 2826562 [0,1,0,0,1,0|1,0,1]=4 78 B8R0.23 CC(C)C(O)CC(=O)O 1778824 [0,1,0,0,1,0|1,0,0]=3 79 B8R0.23 CC(C)CC(N)C(=O)O 4060166 [0,1,0,0,1,0|1,0,0]=3 80 B8R0.29 CN(C)CCC(C)(C)O 5981132 [0,1,0,0,1,0|2,0,0]=4 81 B10R0.96 CC(=O)CC(=O)OCC(C)C 2831036 [0,1,0,0,0,1|1,0,1]=4 82 B10R0.3 CC(C)CCOC(=O)CCCl 8653751 [0,2,0,0,0,0|0,0,0]=2 83 B10R0.43 CC(C)CCC(C)(O)C(=O)O 2361015 [0,2,0,0,0,0|2,0,0]=4 84 B8R1.1 NCC1CNC(=O)C1 4061159 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.1 O=C1CC(CO)CN1 5009764 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.1 O=C1OCC(CCl)O1 11186062 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.1 O=C1OCC(CO)O1 22430561 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.7 NC(=O)C1CCCC1 2825858 [1,0,0,1,0,0|2,0,0]=4 89 B8R1.7 O=C(O)C1CCCC1 12405450 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.22 CC1CCCNCC1 6595001 [1,0,0,1,0,0|1,0,1]=4 91 B8R1.22 O=C1CCCCCC1 22430549 [1,0,0,1,0,0|1,0,0]=3 92 B8R1.22 O=C1CCCCCO1 3585961 [1,0,0,1,0,0|0,0,0]=2 93 B8R1.22 O=C1CCCNCC1 5008389 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.3 CC1CCC(=O)CC1 2825819 [0,0,0,1,1,0|0,0,0]=2 95 B8R1.3 CC1CCC(O)CC1 2825919 [0,0,0,1,1,0|0,0,2]=4 96 B8R1.3 CN1CCC(=O)CC1 1194262 [0,0,0,1,1,0|1,0,0]=3 97 B8R1.51 CC1(C)CCC(=O)C1 5728759 [0,0,0,1,1,0|0,0,0]=2 98 B8R1.51 CC1(C)CCC(N)C1 5728761 [0,0,0,1,1,0|1,0,1]=4 99 B10R1.277 CC1CCNC(=O)C(Cl)C1 22430657 [0,1,0,1,0,0|1,0,0]=3 100 B10R1.329 CC1(C)CC(=O)CC(=O)C1 2827454 [0,1,0,1,0,0|1,0,1]=4 101 B10R1.329 CC1(C)CC(=O)NC(=O)C1 2827580 [0,1,0,1,0,0|1,0,1]=4 102 B10R1.329 CC1=CC(=O)CC(C)(C)C1 2827275 [0,1,0,1,0,0|1,0,1]=4 103 B10R1.55 CC(C)(C)N1CCC(=O)C1 2827639 [0,1,0,1,0,0|2,0,0]=4 104 B6R0.2 CC(=O)C=C(C)C 2825513 [0,0,0,0,2,0|0,0,2]=4 105 B6R0.2 CC(=O)CC(C)=O 2825554 [0,0,0,0,2,0|1,0,1]=4 106 B6R0.2 CC(=O)CC(C)C 1366516 [0,0,0,0,2,0|0,0,0]=2 107 B6R0.2 CC(C)CC(=O)Cl 1051698 [0,0,0,0,2,0|1,0,0]=3 108 B6R0.2 CC(C)CC(=O)O 2825611 [0,0,0,0,2,0|1,0,0]=3 109 B6R0.2 CC(Cl)OC(=O)Cl 2827888 [0,0,0,0,2,0|2,0,0]=4 110 B6R0.2 CN(C)CC(=O)O 15386257 [0,0,0,0,2,0|2,0,0]=4