0 B8R0.4 C=CCCCCCCC CNP0317850.0 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.4 C=CCCCCN=C=S CNP0002692.0 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.4 CC#CCCCCCC CNP0610539.0 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.4 CC=CCCCCCC CNP0241269.0 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.4 CCCCCCC=CO CNP0605778.0 [0,0,0,0,0,0|2,1,1]=4 5 B8R0.4 CCCCCCC=NO CNP0389770.0 [0,0,0,0,0,0|3,1,0]=4 6 B8R0.4 CCCCCCCC#N CNP0112630.0 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.4 CCCCCCCC=O CNP0146292.0 [0,0,0,0,0,0|2,1,1]=4 8 B8R0.4 CCCCCCCCC CNP0402619.0 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.4 CCCCCCCCN CNP0065900.0 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.4 CCCCCCCCO CNP0368614.0 [0,0,0,0,0,0|2,1,1]=4 11 B8R0.4 CCCCCCCNC CNP0216624.0 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.4 CCCCCCCOO CNP0566054.0 [0,0,0,0,0,0|3,1,0]=4 13 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [0,0,0,0,0,0|2,1,1]=4 14 B8R0.4 CCCCCCN=C=S CNP0253332.0 [0,0,0,0,0,0|1,0,0]=1 15 B8R0.4 CCCCCCOC=O CNP0086211.0 [0,0,0,0,0,0|2,1,1]=4 16 B8R0.4 CCCCCCOCC CNP0609034.0 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.4 CCCCCCSSC CNP0510251.0 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.4 CSC=CCCN=C=S CNP0268279.0 [0,0,0,0,0,0|0,0,2]=2 19 B8R0.4 CSCCCCC=NO CNP0070910.0 [0,0,0,0,0,0|2,1,0]=3 20 B8R0.4 CSCCCCCC#N CNP0267304.0 [0,0,0,0,0,0|2,0,1]=3 21 B8R0.4 CSCCCCN=C=S CNP0241465.0 [0,0,0,0,0,0|0,0,0]=0 22 B8R0.4 CSCCCCSC#N CNP0216108.0 [0,0,0,0,0,0|2,0,1]=3 23 B8R0.4 CSCCCN=CC=S CNP0098576.0 [0,0,0,0,0,0|2,0,1]=3 24 B8R0.4 CSCCC[N+]=CC=S CNP0575670.0 [0,0,0,0,0,0|2,0,1]=3 25 B7R0.1 C=CCCCCCC CNP0246919.0 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.1 C=CCCCN=C=S CNP0144953.0 [1,0,0,0,0,0|0,0,2]=3 27 B7R0.1 CC=CCCCCC CNP0199237.0 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.1 CCCCCCC#N CNP0186663.0 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.1 CCCCCCC=O CNP0243745.0 [1,0,0,0,0,0|1,1,1]=4 30 B7R0.1 CCCCCCCC CNP0286567.0 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.1 CCCCCCCN CNP0186919.0 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.1 CCCCCCCO CNP0329737.0 [1,0,0,0,0,0|1,1,1]=4 33 B7R0.1 CCCCCCNC CNP0413437.0 [1,0,0,0,0,0|1,0,2]=4 34 B7R0.1 CCCCCN=C=S CNP0391667.0 [1,0,0,0,0,0|0,0,0]=1 35 B7R0.1 CCCCCOC=O CNP0294368.0 [1,0,0,0,0,0|1,1,1]=4 36 B7R0.1 CCCCCOCC CNP0520137.0 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.1 CCCCCON=O CNP0511882.0 [1,0,0,0,0,0|2,1,0]=4 38 B7R0.1 CCCCCSSC CNP0201479.0 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.1 CCCCN=CC=S CNP0423600.0 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.1 CNCCCCCN CNP0390055.0 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.1 CNCCCCNC CNP0145070.0 [1,0,0,0,0,0|1,0,2]=4 43 B7R0.1 CSCCCC=NO CNP0610383.0 [1,0,0,0,0,0|0,1,1]=3 44 B7R0.1 CSCCCCC#N CNP0183103.0 [1,0,0,0,0,0|1,0,1]=3 45 B7R0.1 CSCCCN=C=S CNP0228923.0 [1,0,0,0,0,0|0,0,0]=1 46 B7R0.1 OCCCCCCS CNP0154751.0 [1,0,0,0,0,0|1,1,1]=4 47 B7R0.1 OCCCCN=C=S CNP0611896.0 [1,0,0,0,0,0|0,1,0]=2 48 B7R0.1 S=C=NCCCCS CNP0504519.0 [1,0,0,0,0,0|0,0,0]=1 49 B7R0.1 SCCCCCCS CNP0089642.0 [1,0,0,0,0,0|1,0,2]=4 50 B9R0.2 CS(O)C=CCCN=C=S CNP0333316.0 [0,1,0,0,0,0|0,0,3]=4 51 B9R0.2 CS(O)CCCCN=C=S CNP0368937.0 [0,1,0,0,0,0|0,0,1]=2 52 B9R0.2 CSCCCCNC(=N)S CNP0609247.0 [0,1,0,0,0,0|0,0,3]=4 53 B9R0.2 CSCCCCNC(=S)N CNP0329860.0 [0,1,0,0,0,0|0,0,2]=3 54 B9R0.2 C[S@+]([O-])/C=C/CCN=C=S CNP0543780.1 [0,1,0,0,0,0|0,0,3]=4 55 B9R0.2 C[S@+]([O-])CCCCN=C=S CNP0525299.1 [0,1,0,0,0,0|0,0,1]=2 56 B9R0.2 C[S@@+]([O-])CCCCN=C=S CNP0525299.2 [0,1,0,0,0,0|0,0,1]=2 57 B9R0.2 C[S@H+]([O-])/C=C/CCN=C=S CNP0511080.1 [0,1,0,0,0,0|0,0,3]=4 58 B9R0.2 C[S@H+]([O-])CCCCN=C=S CNP0541859.1 [0,1,0,0,0,0|0,0,1]=2 59 B9R0.45 C=CCCCCCN=C=S CNP0053316.0 [0,1,0,0,0,0|1,0,1]=3 60 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [0,1,0,0,0,0|2,1,0]=4 61 B9R0.45 CSCCCCCC#[N+][O-] CNP0559721.0 [0,1,0,0,0,0|1,1,1]=4 62 B9R0.45 CSCCCCCC=NO CNP0405939.0 [0,1,0,0,0,0|1,1,1]=4 63 B9R0.45 CSCCCCCCC#N CNP0328653.0 [0,1,0,0,0,0|2,0,1]=4 64 B9R0.45 CSCCCCCN=C=S CNP0328420.0 [0,1,0,0,0,0|0,0,0]=1 65 B9R0.46 COC(=O)CCCN=C=S CNP0075378.0 [0,1,0,0,0,0|0,1,1]=3 66 B9R1.8 S=C=NC1CCCCC1 CNP0109516.0 [0,0,0,1,0,0|1,0,0]=2 67 B9R1.12 CCCC[C@@H]1CCSC1 CNP0199750.1 [0,0,0,1,0,0|2,0,1]=4 68 B6R0.6 C=CCCCCC CNP0226691.0 [2,0,0,0,0,0|1,0,1]=4 69 B6R0.6 C=CCCN=C=S CNP0107519.0 [2,0,0,0,0,0|0,0,2]=4 70 B6R0.6 CCC=CN=C=S CNP0076586.0 [2,0,0,0,0,0|0,0,2]=4 71 B6R0.6 CCCCC=NO CNP0149695.0 [2,0,0,0,0,0|0,1,1]=4 72 B6R0.6 CCCCCC#N CNP0412353.0 [2,0,0,0,0,0|1,0,1]=4 73 B6R0.6 CCCCCC=O CNP0304790.0 [2,0,0,0,0,0|0,1,1]=4 74 B6R0.6 CCCCCCC CNP0290800.0 [2,0,0,0,0,0|1,0,1]=4 75 B6R0.6 CCCCCCN CNP0213933.0 [2,0,0,0,0,0|1,0,1]=4 76 B6R0.6 CCCCCCO CNP0317600.0 [2,0,0,0,0,0|0,1,1]=4 77 B6R0.6 CCCCCCS CNP0167948.0 [2,0,0,0,0,0|0,0,2]=4 78 B6R0.6 CCCCCC[O-] CNP0579903.0 [2,0,0,0,0,0|0,1,1]=4 79 B6R0.6 CCCCCNC CNP0276164.0 [2,0,0,0,0,0|0,0,2]=4 80 B6R0.6 CCCCCOC CNP0358174.0 [2,0,0,0,0,0|0,1,1]=4 81 B6R0.6 CCCCCSC CNP0293012.0 [2,0,0,0,0,0|0,0,1]=3 82 B6R0.6 CCCCCSS CNP0228282.0 [2,0,0,0,0,0|1,0,1]=4 83 B6R0.6 CCCCN=C=S CNP0328773.0 [2,0,0,0,0,0|0,0,0]=2 84 B6R0.6 CCCCON=O CNP0003508.0 [2,0,0,0,0,0|1,1,0]=4 85 B6R0.6 CCCCSSC CNP0532819.0 [2,0,0,0,0,0|1,0,1]=4 86 B6R0.6 CNCCCCN CNP0157274.0 [2,0,0,0,0,0|1,0,1]=4 87 B6R0.6 COCCCCO CNP0570905.0 [2,0,0,0,0,0|0,2,0]=4 88 B6R0.6 CSCCCC#N CNP0286857.0 [2,0,0,0,0,0|0,0,2]=4 89 B6R0.6 CSCCCC=O CNP0002814.0 [2,0,0,0,0,0|0,1,1]=4 90 B6R0.6 CSCCCCO CNP0002400.0 [2,0,0,0,0,0|0,1,0]=3 91 B6R0.6 CSCCCN=S CNP0092190.0 [2,0,0,0,0,0|0,0,0]=2 92 B6R0.6 CSCCN=C=S CNP0002691.0 [2,0,0,0,0,0|0,0,0]=2 93 B6R0.6 OCCCN=C=S CNP0612043.0 [2,0,0,0,0,0|0,1,0]=3 94 B8R0.6 CCCCCC(S)SC CNP0002612.0 [1,1,0,0,0,0|1,0,1]=4 95 B8R0.7 CC(=N)CCCN=C=S CNP0589119.0 [1,1,0,0,0,0|0,0,1]=3 96 B8R0.7 CC(C)CCCN=C=S CNP0076170.0 [1,1,0,0,0,0|0,0,0]=2 97 B8R0.7 CSCCCNC(=S)N CNP0388226.0 [1,1,0,0,0,0|0,0,2]=4 98 B8R0.7 C[S@+]([O-])CCCN=C=S CNP0567636.1 [1,1,0,0,0,0|0,0,1]=3 99 B8R0.7 C[S@@+]([O-])CCCN=C=S CNP0567636.2 [1,1,0,0,0,0|0,0,1]=3 100 B8R0.7 C[S@@H+]([O-])CCCN=C=S CNP0578831.1 [1,1,0,0,0,0|0,0,1]=3 101 B10R0.4 CSCCCCCNC(=S)N CNP0380600.0 [0,2,0,0,0,0|0,0,2]=4 102 B10R0.4 C[S@+]([O-])CCCCCN=C=S CNP0571251.1 [0,2,0,0,0,0|0,0,1]=3 103 B10R0.4 C[S@H+]([O-])CCCCCN=C=S CNP0548091.1 [0,2,0,0,0,0|0,0,1]=3 104 B10R0.22 CS(=O)(=O)CCCCN=C=S CNP0288821.0 [0,2,0,0,0,0|0,0,1]=3 105 B10R0.22 CS(=O)(=O)CCCC[N+]=C=S CNP0552015.0 [0,2,0,0,0,0|0,0,1]=3 106 B10R0.71 CSCCCCCCN=C=S CNP0299975.0 [0,2,0,0,0,0|0,0,0]=2 107 B8R1.2 N=C=C1CCCCC1 CNP0105477.0 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [1,0,0,1,0,0|1,0,1]=4 109 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [1,0,0,1,0,0|0,1,1]=4 110 B8R1.36 N#CCCC[C@H]1CS1 CNP0273996.1 [1,0,0,1,0,0|1,0,1]=4 111 B10R1.1 CC1CCC(CC1)N=C=O CNP0522319.0 [0,1,0,1,0,0|1,1,0]=4