0 B8R0.8 CC(C)C(=O)NCCO 1015081 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.8 CC(Cl)C(=O)NCCO 1655098 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.8 CCCCC(Br)C(=O)O 2960273 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.8 CCCCC(N)C(=O)O 2826762 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.8 CSCCC(N)C(=O)O 2829008 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.3 CCCNC(=O)CCl 7020410083 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.3 CCCOC(=O)CBr 3585827 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.3 CCCOC(=O)CCl 22430458 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.3 COC(=O)CCC#N 1901659 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.3 COC(=O)CCCCl 2818237 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.3 COC(=O)CCCN 2193664 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.3 COC(=O)CCCO 2826064 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.3 COCCC(=O)NN 2422264 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.3 COCCC(=O)OC 2826062 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.3 O=C(CCCCl)O[Na] 22430554 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.4 CC(=O)CCCC#N 1287039 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.4 CC(=O)NCCC#N 1023291 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.4 CC(=O)NCCCN 1137947 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.4 CC(=O)NCCCO 1014746 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.4 CC(=O)NCCON 1366560 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.4 CCCCNC(N)=O 1778647 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.4 CSCCCC(=O)O 2122646 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.4 NCCCCC(=O)O 2817193 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.4 O=C(O)CCCCBr 22430367 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.5 CCCC(N)C(=O)O 2817191 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.5 CCOC(=O)C(C)=O 2825977 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.5 CCOC(=O)C(C)Br 2840544 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.5 CCOC(=O)C(C)O 2817217 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.5 CCOC(=O)C(N)=S 2818086 [1,0,0,0,0,0|2,1,0]=4 29 B9R0.7 CC(C)C(=O)CCN(C)C 3354978 [0,1,0,0,0,0|2,0,1]=4 30 B9R0.7 CC(C)COC(=O)C(C)Br 3585863 [0,1,0,0,0,0|2,0,1]=4 31 B9R0.7 O=C(O)CCC(=O)C(=O)O 2828548 [0,1,0,0,0,0|2,0,1]=4 32 B9R0.8 CCCCN(C)C(=O)CCl 1779930 [0,1,0,0,0,0|2,0,0]=3 33 B9R0.8 CCCOC(=O)C(Cl)CC 8653750 [0,1,0,0,0,0|2,0,1]=4 34 B9R0.13 CCC\C=C(/C#N)C(=O)O 3354848 [0,1,0,0,0,0|2,0,1]=4 35 B9R0.47 C=C(C)C(=O)OCCCC 3585943 [0,1,0,0,0,0|1,0,0]=2 36 B9R0.47 CC(Cl)C(=O)NCCCO 1444393 [0,1,0,0,0,0|2,0,1]=4 37 B9R0.47 CCSCCC(N)C(=O)O 2823553 [0,1,0,0,0,0|2,0,1]=4 38 B9R0.47 COCCOC(=O)C(C)Cl 22430445 [0,1,0,0,0,0|2,0,1]=4 39 B9R0.47 NCCCCC(N)C(=O)O 22430438 [0,1,0,0,0,0|2,0,1]=4 40 B9R0.47 NCCCCC(N)C(=O)O 6054633 [0,1,0,0,0,0|2,0,1]=4 41 B9R1.5 O=C1NCCCCC1Br 2957226 [0,0,0,1,0,0|2,0,1]=4 42 B9R1.6 CC(=O)C1CCNCC1 6300649 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.6 CC(=O)N1CCNCC1 1190260 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.6 NC(=O)C1CCCCC1 1375196 [0,0,0,1,0,0|2,0,1]=4 45 B9R1.6 O=C(Cl)C1CCCCC1 1051699 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.6 O=C(O)C1CCCCC1 2826488 [0,0,0,1,0,0|2,0,1]=4 47 B9R0.4 C=CCOC(=O)CC(C)=O 2827721 [0,0,0,0,0,1|1,0,2]=4 48 B6R0.1 C=CC(=O)OCC 2825559 [2,0,0,0,0,0|1,0,1]=4 49 B6R0.1 CCOC(=O)C=O 2816807 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.1 CCOC(=O)CC 2825607 [2,0,0,0,0,0|1,0,1]=4 51 B6R0.1 CNCC(=O)OC 2267385 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.1 COC(=O)CCN 2827416 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.1 COC(=O)CCS 22430614 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.4 CC(=O)CCCCl 1655122 [2,0,0,0,0,0|1,0,0]=3 55 B6R0.4 CC(=O)NCCN 1137830 [2,0,0,0,0,0|2,0,0]=4 56 B6R0.4 CC(=O)OCCBr 5662412 [2,0,0,0,0,0|2,0,0]=4 57 B6R0.4 CCCCC(=O)O 2825609 [2,0,0,0,0,0|0,0,1]=3 58 B6R0.4 CCCCC(C)=O 1366517 [2,0,0,0,0,0|0,0,0]=2 59 B6R0.4 COCCC(=O)O 2816856 [2,0,0,0,0,0|1,0,1]=4 60 B6R0.4 CO\C=C\C(C)=O 6923419 [2,0,0,0,0,0|1,0,1]=4 61 B6R0.4 NC(=O)CCCCl 4787221 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.4 NCCCC(=O)O 2825632 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.4 NCCCC(N)=O 15298719 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.4 O=C(Cl)CCCCl 2827553 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.6 CCCCNCC 1366521 [2,0,0,0,0,0|1,0,1]=4 66 B6R0.6 NCCCNC=O 7020420408 [2,0,0,0,0,0|2,0,0]=4 67 B6R0.3 C=C(C)C(=O)OC 2825557 [2,0,0,0,0,0|2,0,0]=4 68 B8R0.1 CCOC(=O)CCCBr 2853598 [1,1,0,0,0,0|1,0,1]=4 69 B8R0.1 CCOC(=O)CCCN 2842633 [1,1,0,0,0,0|1,0,1]=4 70 B8R0.1 CCOC(=O)CCNC 2652681 [1,1,0,0,0,0|1,0,1]=4 71 B8R0.3 COC(=O)C(Br)CCBr 12405417 [1,1,0,0,0,0|2,0,0]=4 72 B8R0.6 CCCCNC(=O)CCl 1889827 [1,1,0,0,0,0|1,0,1]=4 73 B8R0.6 CCCCOC(=O)CBr 3585844 [1,1,0,0,0,0|1,0,1]=4 74 B8R0.6 COC(=O)CCCCO 15075354 [1,1,0,0,0,0|1,0,0]=3 75 B8R0.9 COC(=O)CCC(C)=O 1705437 [1,1,0,0,0,0|1,0,1]=4 76 B8R0.9 COC(=O)NCC(C)O 2422677 [1,1,0,0,0,0|2,0,0]=4 77 B8R0.19 CCC(=O)CC(=O)OC 2826662 [1,1,0,0,0,0|1,0,1]=4 78 B8R0.19 COC(=O)CC(N)CN 6300648 [1,1,0,0,0,0|2,0,0]=4 79 B8R0.5 CCC\C(C)=C\C(=O)O 2270136 [1,1,0,0,0,0|1,0,1]=4 80 B8R0.7 CC(=O)NCCCCN 1138062 [1,1,0,0,0,0|1,0,0]=3 81 B8R0.7 CC(=O)NCCCCO 1273336 [1,1,0,0,0,0|1,0,0]=3 82 B8R0.7 CC(=O)OCCCCCl 22430491 [1,1,0,0,0,0|1,0,0]=3 83 B8R0.7 CCCCCCC(=O)O 2826683 [1,1,0,0,0,0|1,0,1]=4 84 B8R0.7 CCCCCNC(N)=O 1778785 [1,1,0,0,0,0|1,0,1]=4 85 B8R0.7 CCCNCCC(=O)O 3644512 [1,1,0,0,0,0|1,0,1]=4 86 B8R0.7 NCCCCCC(=O)O 2826759 [1,1,0,0,0,0|1,0,1]=4 87 B8R0.7 NCCCCCC(N)=O 1375201 [1,1,0,0,0,0|1,0,1]=4 88 B8R0.7 O=C(Cl)CCCCCCl 11186413 [1,1,0,0,0,0|1,0,1]=4 89 B8R0.7 O=C(O)CCCCCBr 972804 [1,1,0,0,0,0|1,0,1]=4 90 B8R0.7 O=C([O-])CCCCCCl 22430569 [1,1,0,0,0,0|1,0,1]=4 91 B10R0.6 COCCOC(=O)CC(C)=O 2831908 [0,1,0,0,0,1|1,0,0]=3 92 B10R0.96 CC(=O)CC(=O)OCC(C)C 2831036 [0,1,0,0,0,1|1,0,0]=3 93 B10R0.75 CCOCCOC(=O)C(C)Cl 8653749 [0,2,0,0,0,0|1,0,1]=4 94 B10R0.75 COCCCNC(=O)C(C)Cl 1890120 [0,2,0,0,0,0|1,0,1]=4 95 B8R1.1 NCC1CNC(=O)C1 4061159 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.1 O=C1CC(CO)CN1 5009764 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.2 O=CC1CCCCC1 1366535 [1,0,0,1,0,0|1,0,1]=4 98 B8R1.3 CC1CCC(=O)CC1 2825819 [1,0,0,1,0,0|0,0,1]=3 99 B8R1.3 CN1CCC(=O)CC1 1194262 [1,0,0,1,0,0|1,0,1]=4 100 B8R1.5 CC1CCCCC1=O 2825822 [1,0,0,1,0,0|0,0,1]=3 101 B8R1.5 O=C1CCCCC1Cl 2826931 [1,0,0,1,0,0|1,0,1]=4 102 B8R1.22 O=C1CCCCCC1 22430549 [1,0,0,1,0,0|0,0,1]=3 103 B8R1.22 O=C1CCCCCO1 3585961 [1,0,0,1,0,0|1,0,0]=3 104 B8R1.22 O=C1CCCNCC1 5008389 [1,0,0,1,0,0|1,0,1]=4 105 B8R1.7 NC(=O)C1CCCC1 2825858 [1,0,0,1,0,0|1,0,1]=4 106 B8R1.7 O=C(O)C1CCCC1 12405450 [1,0,0,1,0,0|1,0,1]=4 107 B10R1.18 O=C(Cl)C=C1CCCCC1 22430340 [0,0,0,1,0,1|2,0,0]=4 108 B10R1.77 O=C1CCCCCC(=O)O1 22430345 [0,0,0,1,0,1|0,0,0]=2 109 B10R1.23 C[C@H](N)C(=O)N1CCCC1 7020691705 [0,1,0,1,0,0|1,0,1]=4 110 B10R1.14 COC(=O)C1=NCC(C)O1 5662504 [0,1,0,1,0,0|1,0,1]=4 111 B10R1.15 COC(=O)C1=CCNCC1 7142295 [0,1,0,1,0,0|2,0,0]=4 112 B10R1.15 NCC(=O)N1CCCCC1 7020691500 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.277 CC1CCNC(=O)C(Cl)C1 22430657 [0,1,0,1,0,0|1,0,1]=4