0 B7R0.1 C=CCCCCCC CNP0246919.0 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.1 C=CCCCN=C=S CNP0144953.0 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.1 CC=CCCCCC CNP0199237.0 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 CCCCCCC#N CNP0186663.0 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 CCCCCCC=O CNP0243745.0 [0,0,0,0,0,0|2,1,1]=4 5 B7R0.1 CCCCCCCC CNP0286567.0 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.1 CCCCCCCN CNP0186919.0 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.1 CCCCCCCO CNP0329737.0 [0,0,0,0,0,0|2,1,1]=4 8 B7R0.1 CCCCCCNC CNP0413437.0 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.1 CCCCCN=C=S CNP0391667.0 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.1 CCCCCOC=O CNP0294368.0 [0,0,0,0,0,0|2,1,1]=4 11 B7R0.1 CCCCCOCC CNP0520137.0 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.1 CCCCCON=O CNP0511882.0 [0,0,0,0,0,0|3,1,0]=4 13 B7R0.1 CCCCCSSC CNP0201479.0 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.1 CCCCN=CC=S CNP0423600.0 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.1 CNCCCCCN CNP0390055.0 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.1 CNCCCCNC CNP0145070.0 [0,0,0,0,0,0|4,0,0]=4 18 B7R0.1 CSCCCC=NO CNP0610383.0 [0,0,0,0,0,0|2,1,0]=3 19 B7R0.1 CSCCCCC#N CNP0183103.0 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.1 CSCCCN=C=S CNP0228923.0 [0,0,0,0,0,0|0,0,0]=0 21 B7R0.1 OCCCCN=C=S CNP0611896.0 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.1 S=C=NCCCCS CNP0504519.0 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.6 C=CCCCCC CNP0226691.0 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.6 C=CCCN=C=S CNP0107519.0 [1,0,0,0,0,0|0,0,2]=3 25 B6R0.6 C=COCCCC CNP0077236.0 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.6 CC=CCCCC CNP0158475.0 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.6 CCC=CN=C=S CNP0076586.0 [1,0,0,0,0,0|0,0,2]=3 28 B6R0.6 CCCCC=CO CNP0511187.0 [1,0,0,0,0,0|1,1,1]=4 29 B6R0.6 CCCCC=NO CNP0149695.0 [1,0,0,0,0,0|1,1,1]=4 30 B6R0.6 CCCCCC#N CNP0412353.0 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.6 CCCCCC=O CNP0304790.0 [1,0,0,0,0,0|1,1,1]=4 32 B6R0.6 CCCCCCC CNP0290800.0 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.6 CCCCCCN CNP0213933.0 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.6 CCCCCCO CNP0317600.0 [1,0,0,0,0,0|1,1,1]=4 35 B6R0.6 CCCCCCS CNP0167948.0 [1,0,0,0,0,0|1,0,2]=4 36 B6R0.6 CCCCCC[O-] CNP0579903.0 [1,0,0,0,0,0|1,1,1]=4 37 B6R0.6 CCCCCNC CNP0276164.0 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.6 CCCCCOC CNP0358174.0 [1,0,0,0,0,0|1,1,1]=4 39 B6R0.6 CCCCCSC CNP0293012.0 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.6 CCCCCSS CNP0228282.0 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.6 CCCCN=C=S CNP0328773.0 [1,0,0,0,0,0|0,0,0]=1 42 B6R0.6 CCCCNC=O CNP0082472.0 [1,0,0,0,0,0|0,1,2]=4 43 B6R0.6 CCCCOC=O CNP0282325.0 [1,0,0,0,0,0|1,1,1]=4 44 B6R0.6 CCCCON=O CNP0003508.0 [1,0,0,0,0,0|2,1,0]=4 45 B6R0.6 CCCCSSC CNP0532819.0 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.6 CCOCCCS CNP0267296.0 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.6 CNCCCCN CNP0157274.0 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.6 COCCCCO CNP0570905.0 [1,0,0,0,0,0|0,2,1]=4 49 B6R0.6 CSCCCC#N CNP0286857.0 [1,0,0,0,0,0|1,0,1]=3 50 B6R0.6 CSCCCC=O CNP0002814.0 [1,0,0,0,0,0|0,1,1]=3 51 B6R0.6 CSCCCCO CNP0002400.0 [1,0,0,0,0,0|0,1,1]=3 52 B6R0.6 CSCCCN=S CNP0092190.0 [1,0,0,0,0,0|0,0,0]=1 53 B6R0.6 CSCCN=C=S CNP0002691.0 [1,0,0,0,0,0|0,0,0]=1 54 B6R0.6 OCCCN=C=S CNP0612043.0 [1,0,0,0,0,0|0,1,0]=2 55 B8R0.4 C=CCCCCN=C=S CNP0002692.0 [0,1,0,0,0,0|1,0,1]=3 56 B8R0.4 C=CCCCN=CC=S CNP0418197.0 [0,1,0,0,0,0|1,0,2]=4 57 B8R0.4 CC=C=CCCCCC CNP0555445.0 [0,1,0,0,0,0|3,0,0]=4 58 B8R0.4 CCCCCCN=C=S CNP0253332.0 [0,1,0,0,0,0|1,0,0]=2 59 B8R0.4 CCCCCCSSC CNP0510251.0 [0,1,0,0,0,0|2,0,1]=4 60 B8R0.4 CSC=CCCN=C=S CNP0268279.0 [0,1,0,0,0,0|0,0,1]=2 61 B8R0.4 CSCCCCC=NO CNP0070910.0 [0,1,0,0,0,0|1,1,1]=4 62 B8R0.4 CSCCCCCC#N CNP0267304.0 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.4 CSCCCCN=C=S CNP0241465.0 [0,1,0,0,0,0|0,0,0]=1 64 B8R0.4 CSCCCCSC#N CNP0216108.0 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.4 CSCCCN=CC=S CNP0098576.0 [0,1,0,0,0,0|0,0,1]=2 66 B8R0.4 CSCCC[N+]=CC=S CNP0575670.0 [0,1,0,0,0,0|0,0,1]=2 67 B8R0.6 CCCCCC(S)SC CNP0002612.0 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.6 COC(=O)CCCSC CNP0313998.0 [0,1,0,0,0,0|3,0,0]=4 69 B8R0.7 CC(=N)CCCN=C=S CNP0589119.0 [0,1,0,0,0,0|1,0,0]=2 70 B8R0.7 CC(C)CCCN=C=S CNP0076170.0 [0,1,0,0,0,0|1,0,0]=2 71 B8R0.7 CSCCCNC(=S)N CNP0388226.0 [0,1,0,0,0,0|0,0,2]=3 72 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [0,1,0,0,0,0|1,1,1]=4 73 B8R0.7 C[S@+]([O-])CCCN=C=S CNP0567636.1 [0,1,0,0,0,0|0,0,1]=2 74 B8R0.7 C[S@@+]([O-])CCCN=C=S CNP0567636.2 [0,1,0,0,0,0|0,0,1]=2 75 B8R0.7 C[S@@H+]([O-])CCCN=C=S CNP0578831.1 [0,1,0,0,0,0|0,0,1]=2 76 B8R1.2 N=C=C1CCCCC1 CNP0105477.0 [0,0,0,1,0,0|3,0,0]=4 77 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,0,0,1,0,0|1,1,1]=4 79 B8R1.36 N#CCCC[C@H]1CS1 CNP0273996.1 [0,0,0,1,0,0|2,0,1]=4 80 B5R0.2 C=CCCCC CNP0264947.0 [2,0,0,0,0,0|1,0,1]=4 81 B5R0.2 C=CCN=C=S CNP0329428.0 [2,0,0,0,0,0|0,0,2]=4 82 B5R0.2 C=CC[N+]=C=S CNP0590911.0 [2,0,0,0,0,0|0,0,2]=4 83 B5R0.2 CCCC=NO CNP0071145.0 [2,0,0,0,0,0|0,1,1]=4 84 B5R0.2 CCCCC#N CNP0357663.0 [2,0,0,0,0,0|1,0,1]=4 85 B5R0.2 CCCCC=O CNP0361186.0 [2,0,0,0,0,0|0,1,1]=4 86 B5R0.2 CCCCCBr CNP0018690.0 [2,0,0,0,0,0|1,0,1]=4 87 B5R0.2 CCCCCC CNP0269021.0 [2,0,0,0,0,0|1,0,1]=4 88 B5R0.2 CCCCCI CNP0017763.0 [2,0,0,0,0,0|1,0,1]=4 89 B5R0.2 CCCCCN CNP0203183.0 [2,0,0,0,0,0|1,0,1]=4 90 B5R0.2 CCCCCO CNP0244882.0 [2,0,0,0,0,0|0,1,1]=4 91 B5R0.2 CCCCCS CNP0260876.0 [2,0,0,0,0,0|0,0,2]=4 92 B5R0.2 CCCCNC CNP0277639.0 [2,0,0,0,0,0|0,0,2]=4 93 B5R0.2 CCCCOC CNP0609033.0 [2,0,0,0,0,0|0,1,1]=4 94 B5R0.2 CCCCSC CNP0562965.0 [2,0,0,0,0,0|0,0,1]=3 95 B5R0.2 CCCC[S+]=O CNP0521772.0 [2,0,0,0,0,0|1,1,0]=4 96 B5R0.2 CCCN=C=S CNP0077279.0 [2,0,0,0,0,0|0,0,0]=2 97 B5R0.2 CCCSSC CNP0296815.0 [2,0,0,0,0,0|1,0,1]=4 98 B5R0.2 CSCCC=O CNP0136743.0 [2,0,0,0,0,0|0,1,1]=4 99 B5R0.2 CSCCCN CNP0348726.0 [2,0,0,0,0,0|0,0,1]=3 100 B5R0.2 CSCCCO CNP0359993.0 [2,0,0,0,0,0|0,1,0]=3 101 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [2,0,0,0,0,0|0,0,2]=4 102 B7R0.3 C=CC(C)CN=C=S CNP0075379.0 [1,1,0,0,0,0|0,0,2]=4 103 B7R0.3 CC[C@H](C)CN=C=S CNP0333969.1 [1,1,0,0,0,0|0,0,0]=2 104 B7R0.3 CSC(C)CCC#N CNP0577108.0 [1,1,0,0,0,0|1,0,1]=4 105 B7R0.3 CSCC[C@@H](N)CO CNP0371110.2 [1,1,0,0,0,0|0,1,1]=4 106 B7R0.3 CSCC[C@H](N)CO CNP0371110.1 [1,1,0,0,0,0|0,1,1]=4 107 B7R0.4 C=C(C)CCN=C=S CNP0114096.0 [1,1,0,0,0,0|0,0,1]=3 108 B7R0.4 CC(C)CCN=C=S CNP0085995.0 [1,1,0,0,0,0|0,0,0]=2 109 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,1,0,0,0,0|1,0,1]=4 110 B7R0.4 CCCCNC(=S)N CNP0137764.0 [1,1,0,0,0,0|0,0,2]=4 111 B7R0.4 C[S@+]([O-])CCN=C=S CNP0519953.1 [1,1,0,0,0,0|0,0,1]=3 112 B7R0.4 C[S@H+]([O-])CCN=C=S CNP0547204.1 [1,1,0,0,0,0|0,0,1]=3 113 B9R0.2 CS(O)C=CCCN=C=S CNP0333316.0 [0,2,0,0,0,0|0,0,2]=4 114 B9R0.2 CS(O)CCCCN=C=S CNP0368937.0 [0,2,0,0,0,0|0,0,1]=3 115 B9R0.2 CSCCCCNC(=S)N CNP0329860.0 [0,2,0,0,0,0|0,0,2]=4 116 B9R0.2 C[S@+]([O-])/C=C/CCN=C=S CNP0543780.1 [0,2,0,0,0,0|0,0,2]=4 117 B9R0.2 C[S@+]([O-])CCCCN=C=S CNP0525299.1 [0,2,0,0,0,0|0,0,1]=3 118 B9R0.2 C[S@@+]([O-])CCCCN=C=S CNP0525299.2 [0,2,0,0,0,0|0,0,1]=3 119 B9R0.2 C[S@H+]([O-])/C=C/CCN=C=S CNP0511080.1 [0,2,0,0,0,0|0,0,2]=4 120 B9R0.2 C[S@H+]([O-])CCCCN=C=S CNP0541859.1 [0,2,0,0,0,0|0,0,1]=3 121 B9R0.45 C=CCCCCCN=C=S CNP0053316.0 [0,2,0,0,0,0|1,0,0]=3 122 B9R0.45 CSCCCCCN=C=S CNP0328420.0 [0,2,0,0,0,0|0,0,0]=2 123 B9R0.46 COC(=O)CCCN=C=S CNP0075378.0 [0,2,0,0,0,0|0,1,0]=3 124 B9R0.38 CS(=O)(=O)CCCN=C=S CNP0382418.0 [0,2,0,0,0,0|0,0,1]=3 125 B7R1.1 O=NN1CCSC1 CNP0462467.0 [1,0,0,1,0,0|1,1,0]=4 126 B7R1.3 OC1=NCCCC1 CNP0547052.0 [1,0,0,1,0,0|0,1,1]=4 127 B7R1.3 [O-][S+]1CCCSC1 CNP0547147.0 [1,0,0,1,0,0|1,1,0]=4 128 B7R1.7 N#CCC[C@H]1CS1 CNP0258017.1 [1,0,0,1,0,0|1,0,1]=4 129 B9R1.8 S=C=NC1CCCCC1 CNP0109516.0 [0,1,0,1,0,0|1,0,0]=3