0 B6R1.1 C1=CCN=CC1 C16933 [0,0,0,0,0,0|1,0,3]=4 1 B6R1.1 C1=NCCCC1 C06181 [0,0,0,0,0,0|1,0,2]=3 2 B6R1.1 C1CCCCC1 C11249 [0,0,0,0,0,0|2,0,0]=2 3 B6R1.1 C1CCNCC1 C01746 [0,0,0,0,0,0|1,0,0]=1 4 B6R1.1 C1CNCCN1 C07973 [0,0,0,0,0,0|0,0,0]=0 5 B6R1.1 C1CNCCN1 C12839 [0,0,0,0,0,0|0,0,0]=0 6 B6R1.1 C1COCCN1 C14452 [0,0,0,0,0,0|1,0,0]=1 7 B6R1.1 C1COCCO1 C14440 [0,0,0,0,0,0|2,0,0]=2 8 B6R1.1 C1CSCCS1 C01871 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.3 NC1CCCCC1 C00571 [0,1,0,0,0,0|2,0,0]=3 10 B7R1.3 O=C1CCCCC1 C00414 [0,1,0,0,0,0|2,0,0]=3 11 B7R1.3 O=C1CCCCO1 C02240 [0,1,0,0,0,0|2,0,1]=4 12 B7R1.3 OC1CCCCC1 C00854 [0,1,0,0,0,0|2,0,0]=3 13 B5R0.2 CCCCCC C11271 [0,0,1,0,0,0|2,0,0]=3 14 B5R0.2 CCCCCO C16834 [0,0,1,0,0,0|2,0,0]=3 15 B5R0.2 CCNNCC C19227 [0,0,1,0,0,0|2,0,0]=3 16 B5R0.2 CCOCCO C14687 [0,0,1,0,0,0|2,0,0]=3 17 B5R0.2 CSCCCN C03354 [0,0,1,0,0,0|2,0,0]=3 18 B5R0.2 NCCCC=O C00555 [0,0,1,0,0,0|2,0,1]=4 19 B5R0.2 NCCCC=O C02903 [0,0,1,0,0,0|2,0,1]=4 20 B5R0.2 NCCCCN C00134 [0,0,1,0,0,0|2,0,0]=3 21 B5R0.2 NCCCCN C02896 [0,0,1,0,0,0|2,0,0]=3 22 B5R1.1 C1=NCCC1 C15668 [0,0,0,0,1,0|0,0,2]=3 23 B4R0.2 C=CCCN C12244 [1,0,1,0,0,0|0,0,2]=4 24 B4R0.2 CCCC=O C01412 [1,0,1,0,0,0|1,0,1]=4 25 B4R0.2 CCCCO C06142 [1,0,1,0,0,0|1,0,0]=3 26 B4R0.2 CCOCC C13240 [1,0,1,0,0,0|1,0,0]=3 27 B4R0.2 CCSCC C02272 [1,0,1,0,0,0|1,0,0]=3 28 B4R0.2 N#CCCN C05670 [1,0,1,0,0,0|1,0,1]=4 29 B4R0.2 NCCC=O C05665 [1,0,1,0,0,0|1,0,1]=4 30 B4R0.2 NCCCN C00986 [1,0,1,0,0,0|1,0,0]=3 31 B4R0.2 OCCCO C02457 [1,0,1,0,0,0|2,0,0]=4 32 B6R0.4 CC(=O)SCCN C03537 [0,1,1,0,0,0|1,0,1]=4 33 B6R0.4 CCCCC(N)=O C01842 [0,1,1,0,0,0|1,0,1]=4 34 B6R0.4 CCNCC(=O)O C11735 [0,1,1,0,0,0|1,0,1]=4 35 B6R0.4 [*]CCNC(C)=O C15535 [0,1,1,0,0,0|1,0,1]=4 36 B6R0.6 CCCCCCN C08306 [0,1,1,0,0,0|1,0,0]=3 37 B6R0.6 CC\C=C/CCO C08492 [0,1,1,0,0,0|2,0,0]=4 38 B6R0.6 CNCCCC=O C10974 [0,1,1,0,0,0|1,0,1]=4 39 B6R0.6 CNCCCCN C02723 [0,1,1,0,0,0|1,0,0]=3 40 B6R0.6 ClCCNCCCl C16552 [0,1,1,0,0,0|1,0,0]=3 41 B6R0.6 ClCCOCCCl C14688 [0,1,1,0,0,0|2,0,0]=4 42 B6R0.6 ClCCSCCCl C19164 [0,1,1,0,0,0|2,0,0]=4 43 B6R0.6 NCCCCC=O C12455 [0,1,1,0,0,0|1,0,1]=4 44 B6R0.6 NCCCCCN C01672 [0,1,1,0,0,0|1,0,0]=3 45 B6R0.6 OCCNCCO C06772 [0,1,1,0,0,0|1,0,0]=3 46 B6R0.6 OCCOCCO C14689 [0,1,1,0,0,0|2,0,0]=4 47 B6R1.2 CC1=NCCC1 C20808 [0,1,0,0,1,0|0,0,2]=4 48 B6R1.2 C[C@@H]1CCCN1 C20809 [0,1,0,0,1,0|0,0,0]=2 49 B6R1.2 C[N+]1=CCCC1 C06178 [0,1,0,0,1,0|0,0,2]=4 50 B6R1.2 O=C1CCCC1 C00557 [0,1,0,0,1,0|1,0,0]=3 51 B6R1.2 O=C1CCCO1 C01770 [0,1,0,0,1,0|1,0,1]=4 52 B6R1.2 O=C1NCCO1 C06695 [0,1,0,0,1,0|1,0,1]=4 53 B6R1.2 OC1CCCC1 C02020 [0,1,0,0,1,0|1,0,0]=3 54 B6R1.2 S=C1NCCN1 C14398 [0,1,0,0,1,0|0,0,1]=3 55 B8R1.22 O=C1CCCCCN1 C06593 [0,1,0,0,0,1|1,0,0]=3 56 B8R1.22 O=C1CCCCCO1 C01880 [0,1,0,0,0,1|2,0,0]=4 57 B8R1.2 O=NN1CCCCC1 C19284 [0,2,0,0,0,0|1,0,0]=3 58 B8R1.2 O=NN1CCOCC1 C19283 [0,2,0,0,0,0|1,0,0]=3 59 B8R1.2 [C-]#[N+]C1CCCCC1 C11520 [0,2,0,0,0,0|2,0,0]=4 60 B8R1.3 O=C1CCC(=O)CC1 C08063 [0,2,0,0,0,0|2,0,0]=4 61 B8R1.3 O=C1CNC(=O)CN1 C02777 [0,2,0,0,0,0|0,0,2]=4 62 B8R1.4 O=C1CCCC(O)C1 C03228 [0,2,0,0,0,0|2,0,0]=4 63 B8R1.5 O=C1CCCCC1O C01147 [0,2,0,0,0,0|2,0,0]=4 64 B8R1.5 O[C@@H]1CCCC[C@H]1O C03739 [0,2,0,0,0,0|2,0,0]=4 65 B8R1.5 O[C@H]1CCCC[C@H]1O C12313 [0,2,0,0,0,0|2,0,0]=4 66 B8R1.72 C[N+]1(C)CCCCC1 C18475 [0,2,0,0,0,0|1,0,1]=4 67 B6R1.3 OCCN1CC1 C19332 [0,0,1,1,0,0|1,0,0]=3