0 B6R0.6 C#CCCCCI C74272 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 C#CCCCCN 79352 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 CC#CCCCO W16152 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 CCOCCCBr A11082 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 CCOCCON W15834 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.6 CNCCCCBr C74879 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.6 CNCCCCN D80538 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.6 N#CCCCCBr D77353 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.6 NCCCCCBr 97997 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.6 OCCCCCO D77911 [0,0,0,0,0,0|2,1,1]=4 10 B5R0.2 C#CCCCI C78094 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.2 C#CCCCN 72839 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.2 C#CCOCC C90311 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.2 C=CCCNC W16107 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.2 CCCCON 31644 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.2 COCCCO D77912 [1,0,0,0,0,0|1,1,1]=4 16 B5R0.2 NCCCCCl F19552 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.2 NNCCCO AB9423 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.2 O=CCCCO 55817 [1,0,0,0,0,0|1,1,1]=4 19 B7R0.1 C=CCCCCNC R10008 [0,1,0,0,0,0|2,0,1]=4 20 B7R0.1 C=CCCCN=C=S T71958 [0,1,0,0,0,0|0,0,1]=2 21 B7R0.1 CCCNCCCO AB4057 [0,1,0,0,0,0|1,1,1]=4 22 B7R0.1 FCCCCCCBr A50948 [0,1,0,0,0,0|2,0,1]=4 23 B7R0.1 NCCCCCCBr D83295 [0,1,0,0,0,0|2,0,1]=4 24 B7R0.1 NCCCCCCS F31196 [0,1,0,0,0,0|1,0,2]=4 25 B7R0.4 CC(C)CCCCBr C74820 [0,1,0,0,0,0|2,0,1]=4 26 B7R0.4 COCCNC(N)=S T71533 [0,1,0,0,0,0|1,0,2]=4 27 B7R0.4 C[C@H](Cl)CCCCCl A12620 [0,1,0,0,0,0|2,0,1]=4 28 B7R0.7 CCC[C@H](Br)CCBr D94373 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.7 CCC[C@H](N)CCO AT20461 [0,1,0,0,0,0|1,1,1]=4 30 B7R0.7 CCC[C@H](N)CCO I11080 [0,1,0,0,0,0|1,1,1]=4 31 B7R0.7 CCC[C@H](N)CCO N12794 [0,1,0,0,0,0|1,1,1]=4 32 B7R1.1 C=CC1CCCC1 T72385 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.1 CC[C@H]1CCCN1 F16886 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.1 CC[C@H]1CCNC1 P14869 [0,0,0,1,0,0|1,0,2]=4 35 B7R1.1 NCC1CCCC1 P10292 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.1 NNC1CCCC1 BL010355 [0,0,0,1,0,0|3,0,0]=4 37 B7R1.1 NOC1CCCC1 97655 [0,0,0,1,0,0|3,0,0]=4 38 B7R1.1 [C-]#[N+]C1CCCC1 T71226 [0,0,0,1,0,0|3,0,0]=4 39 B7R1.3 C[C@H]1CCCCN1 C73894 [0,0,0,1,0,0|1,0,2]=4 40 B7R1.3 C[C@H]1CCCNC1 36405 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.3 NC1=NCCCN1 AC1271 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.3 O=C1CCCCS1 D95162 [0,0,0,1,0,0|1,1,1]=4 43 B7R1.4 CN1CCN=C1N W16176 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,0,0,1,0,0|1,1,1]=4 46 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,0,0,1,0,0|1,1,1]=4 47 B7R1.6 CCNC1CCC1 W19308 [0,0,0,1,0,0|1,0,2]=4 48 B7R1.6 N#CCC1CCC1 55430 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.6 NCCC1CCC1 P10851 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.6 NNCC1CCC1 P12716 [0,0,0,1,0,0|3,0,0]=4 51 B7R1.6 O=CCC1CCC1 55432 [0,0,0,1,0,0|1,1,1]=4 52 B7R1.6 OCCC1CCC1 32129 [0,0,0,1,0,0|1,1,1]=4 53 B7R1.7 OCCCC1CC1 F52480 [0,0,0,1,0,0|1,1,1]=4 54 B4R0.2 BrCCCBr D77913 [2,0,0,0,0,0|2,0,0]=4 55 B4R0.2 CCCCN T70838 [2,0,0,0,0,0|0,0,1]=3 56 B4R0.2 COCCI A50601 [2,0,0,0,0,0|2,0,0]=4 57 B4R0.2 CSCCN D73275 [2,0,0,0,0,0|1,0,1]=4 58 B4R0.2 NCCCF 61303 [2,0,0,0,0,0|1,0,1]=4 59 B4R0.2 NCCCN T70045 [2,0,0,0,0,0|1,0,1]=4 60 B4R0.2 NCCCS A11074 [2,0,0,0,0,0|1,0,1]=4 61 B4R0.2 OCCCO D77845 [2,0,0,0,0,0|1,1,0]=4 62 B4R0.2 OCCCS D78398 [2,0,0,0,0,0|1,0,1]=4 63 B4R0.2 SCCCBr 77989 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.1 CCC[C@@H](Br)CC D78429 [1,1,0,0,0,0|1,0,1]=4 65 B6R0.1 CCC[C@H](N)CO C13482 [1,1,0,0,0,0|0,1,1]=4 66 B6R0.1 CC[C@H](S)CCO D84734 [1,1,0,0,0,0|0,1,1]=4 67 B6R0.4 CC(C)CCC=O 31143 [1,1,0,0,0,0|0,1,1]=4 68 B6R0.4 C[C@H](Cl)CCCCl A11066 [1,1,0,0,0,0|1,0,1]=4 69 B8R0.7 CN(C)CCCN=C=S AC1792 [0,2,0,0,0,0|0,0,0]=2 70 B6R1.1 C1CCNNC1 71659 [1,0,0,1,0,0|1,0,1]=4 71 B6R1.2 C[C@H]1CCNC1 69327 [1,0,0,1,0,0|0,0,2]=4 72 B6R1.2 C[C@H]1CCSC1 70016 [1,0,0,1,0,0|1,0,1]=4 73 B6R1.2 NN1CCCC1 F13227 [1,0,0,1,0,0|1,0,1]=4 74 B6R1.2 NN1CCCC1 S12058 [1,0,0,1,0,0|1,0,1]=4 75 B6R1.3 BrCCC1CC1 32177 [1,0,0,1,0,0|1,0,1]=4 76 B6R1.3 C#CCC1CC1 70830 [1,0,0,1,0,0|1,0,1]=4 77 B6R1.3 CNCC1CC1 P11100 [1,0,0,1,0,0|0,0,2]=4 78 B6R1.3 ICCC1CC1 73383 [1,0,0,1,0,0|1,0,1]=4 79 B6R1.3 NNCC1CC1 P11241 [1,0,0,1,0,0|1,0,1]=4 80 B6R1.3 NOCC1CC1 59190 [1,0,0,1,0,0|2,0,0]=4 81 B6R1.3 O=CCC1CC1 P10743 [1,0,0,1,0,0|0,1,1]=4 82 B6R1.4 C[C@H]1CCC1=O W18267 [1,0,0,1,0,0|0,1,1]=4 83 B6R1.6 CNC1CCC1 20929 [1,0,0,1,0,0|0,0,2]=4 84 B6R1.6 NNC1CCC1 AB1362 [1,0,0,1,0,0|1,0,1]=4 85 B6R1.6 NNC1CCC1 BL010353 [1,0,0,1,0,0|1,0,1]=4 86 B6R1.8 C[C@H]1C[C@@H]1CO 72702 [1,0,0,1,0,0|0,1,1]=4 87 B8R1.2 COC1=NCCCC1 D87703 [0,1,0,1,0,0|0,1,1]=4 88 B8R1.22 NC1=NCCCCC1 D85903 [0,1,0,1,0,0|1,0,1]=4 89 B8R1.19 CC1(C)CCNC1=S W12656 [0,1,0,1,0,0|0,0,2]=4