0 B9R0.45 C=CCCCCCCCC T21040 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.45 CCCC/C=C\CCCC T31276 [0,0,0,0,0,0|1,0,3]=4 2 B9R0.45 CCCCCCCCCO TN6912 [0,0,0,0,0,0|0,0,2]=2 3 B9R0.45 CSCCCCCN=C=S T26776 [0,0,0,0,0,0|2,1,1]=4 4 B9R0.45 NCCCCNCCCN T4893 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.45 NCCCCNCCCN T5080 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.45 OCCCCCCN=[N+]=[N-] T38953 [0,0,0,0,0,0|4,0,0]=4 7 B8R0.4 NCCCCCCCN T7998 [1,0,0,0,0,0|2,0,0]=3 8 B10R0.1 CCCCCCC(Cl)CCC T29433 [0,1,0,0,0,0|1,0,1]=3 9 B10R0.1 CCCCCC[C@H](C)CCC T31329 [0,1,0,0,0,0|1,0,1]=3 10 B10R0.1 CCCCCC[C@H](O)CCC T21104 [0,1,0,0,0,0|1,0,1]=3 11 B10R0.4 C(CCCCC)CCC(C)C T29356 [0,1,0,0,0,0|1,0,1]=3 12 B10R0.4 CC(=O)CCCCCCC=C T29489 [0,1,0,0,0,0|0,0,2]=3 13 B10R0.4 CCCCCCCCC(C)C T31326 [0,1,0,0,0,0|1,0,1]=3 14 B10R0.4 CCCCCCCCC(O)=O T3947 [0,1,0,0,0,0|0,0,0]=1 15 B10R0.4 CCCCCCCC[C@@H](C)Br T31325 [0,1,0,0,0,0|1,0,1]=3 16 B10R0.4 CCCCCCCC[C@@H](C)O T31300 [0,1,0,0,0,0|0,0,2]=3 17 B10R0.4 CCCCCCCOC(C)=O TN6701 [0,1,0,0,0,0|1,0,0]=2 18 B10R0.4 NCCCCCCCC(O)=O T8102 [0,1,0,0,0,0|1,0,0]=2 19 B10R0.4 NCCOCCOCC(O)=O T15459 [0,1,0,0,0,0|3,0,0]=4 20 B10R0.4 OCCOCCOCC(O)=O T15521 [0,1,0,0,0,0|3,0,0]=4 21 B10R0.71 C(CCCCC)CCCCCl T21123 [0,1,0,0,0,0|1,0,1]=3 22 B10R0.71 C(CCCCC)CCCCO T21101 [0,1,0,0,0,0|0,0,2]=3 23 B10R0.71 C(CCCCC)CCCCO T30679 [0,1,0,0,0,0|0,0,2]=3 24 B10R0.71 CCCCC/C=C/C=C/C=O T9506 [0,1,0,0,0,0|0,0,3]=4 25 B10R0.71 CCCCCCCCCC#N T21184 [0,1,0,0,0,0|1,0,1]=3 26 B10R0.71 CCCCCCCCCC=O T8086 [0,1,0,0,0,0|0,0,0]=1 27 B10R0.71 CCCCCCCCCCBr T31355 [0,1,0,0,0,0|1,0,1]=3 28 B10R0.71 CCCCCCCCCCC TN2458 [0,1,0,0,0,0|1,0,1]=3 29 B10R0.71 CCCCCCCCCCCl T30897 [0,1,0,0,0,0|1,0,1]=3 30 B10R0.71 CCCCCCCCCCF T21116 [0,1,0,0,0,0|1,0,1]=3 31 B10R0.71 CCCCCCCCCCI T21125 [0,1,0,0,0,0|1,0,1]=3 32 B10R0.71 CCCCCCCCCCO T31347 [0,1,0,0,0,0|0,0,2]=3 33 B10R0.71 CCCCCSCCCCC T20315 [0,1,0,0,0,0|1,0,1]=3 34 B10R0.71 OCCCCCCCCC#C T17346 [0,1,0,0,0,0|1,0,1]=3 35 B10R0.74 CCCCCCCC(=O)OC TN6890 [0,1,0,0,0,0|2,0,1]=4 36 B10R0.74 CCCCCCC[C@@H](C)CC T31327 [0,1,0,0,0,0|1,0,1]=3 37 B10R0.91 CCCCCC(=O)CCCC T29451 [0,1,0,0,0,0|1,0,2]=4 38 B10R0.91 CCCCCC(O)/C=C/C=O T10148 [0,1,0,0,0,0|0,0,2]=3 39 B10R0.91 CCCCC[C@@H](C)CCCC T31330 [0,1,0,0,0,0|1,0,1]=3 40 B10R0.91 CCCCC[C@H](O)CCCC T31301 [0,1,0,0,0,0|1,0,1]=3 41 B7R0.1 CCCCCCCO TN6893 [2,0,0,0,0,0|0,0,1]=3 42 B7R0.1 CCCSSCCC TN6758 [2,0,0,0,0,0|2,0,0]=4 43 B9R0.2 CC(=O)NCCCCCN T5222 [1,1,0,0,0,0|2,0,0]=4 44 B9R0.2 CCCCC/C=C/C(O)=O T5261 [1,1,0,0,0,0|0,0,2]=4 45 B9R0.2 CCCCCCCC(C)=O T29360 [1,1,0,0,0,0|0,0,0]=2 46 B9R0.2 CCCCCCCC(C)O TN6692 [1,1,0,0,0,0|0,0,1]=3 47 B9R0.2 CCCCCCCC(O)=O T3946 [1,1,0,0,0,0|0,0,0]=2 48 B9R0.2 CCCCCNCC(N)=O T24465 [1,1,0,0,0,0|1,0,0]=3 49 B9R0.2 CCCCCNCC(N)=O T50055 [1,1,0,0,0,0|1,0,0]=3 50 B9R0.2 CNCCOCCC(O)=O T16047 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.2 COCCOCCC(O)=O T15841 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.2 NOCCCCCC(O)=O T18489 [1,1,0,0,0,0|2,0,0]=4 53 B9R0.2 OC(=O)CCCCCC#C T17345 [1,1,0,0,0,0|0,0,2]=4 54 B11R0.2 CCCCCCC(=O)CC(C)=O T31334 [0,2,0,0,0,0|0,0,1]=3 55 B11R0.2 CCCCCCC(C)CC(C)C T31323 [0,2,0,0,0,0|1,0,1]=4 56 B11R0.5 CCCCC(C)CC(C)CCC T31328 [0,2,0,0,0,0|1,0,1]=4 57 B11R0.81 CCCCCCC(=O)/C=C/C=O T31275 [0,2,0,0,0,0|0,0,2]=4 58 B11R0.176 OC(=O)CCCCC(S)CCS T21233 [0,2,0,0,0,0|1,0,0]=3 59 B11R0.176 OC(=O)CCCC[C@@H](S)CCS T21234 [0,2,0,0,0,0|1,0,0]=3 60 B11R0.30 CC(=O)NCCCCCC(O)=O T0436 [0,2,0,0,0,0|1,0,1]=4 61 B11R0.30 OC(=O)CCCCCCC(O)=O T4734 [0,2,0,0,0,0|1,0,1]=4 62 B11R0.40 CCCCCCCCC(=C)C=O T31306 [0,2,0,0,0,0|0,0,0]=2 63 B11R0.40 CCCCCCCCC(=O)C=O T31307 [0,2,0,0,0,0|0,0,0]=2 64 B11R0.40 CCCCCCCCC(=O)OC TN6918 [0,2,0,0,0,0|0,0,0]=2 65 B11R0.40 CCCCCCCCC(C)C#N T21189 [0,2,0,0,0,0|1,0,1]=4 66 B11R0.40 CCCCCCCC[C@@H](Br)C=O T29336 [0,2,0,0,0,0|0,0,0]=2 67 B11R0.40 CCCCCCCC[C@@H](O)CO T21141 [0,2,0,0,0,0|0,0,2]=4 68 B11R0.40 CCCCCCCC[C@H](C)C=O T29253 [0,2,0,0,0,0|0,0,0]=2 69 B11R0.42 CCCCCCCC(C)C(C)C T31332 [0,2,0,0,0,0|1,0,1]=4 70 B11R0.148 C(CCCCCCCCC)(=N)N T31312 [0,2,0,0,0,0|1,0,0]=3 71 B11R0.148 CCCCCCC/C=C/C(O)=O T7332 [0,2,0,0,0,0|0,0,1]=3 72 B11R0.148 CCCCCCC/C=C\C(O)=O TQ0251 [0,2,0,0,0,0|0,0,1]=3 73 B11R0.148 CCCCCCCCCC(C)=O T8017 [0,2,0,0,0,0|0,0,0]=2 74 B11R0.148 CCCCCCCCCC(C)O T22221 [0,2,0,0,0,0|0,0,2]=4 75 B11R0.148 CCCCCCCCCC(F)=O T31304 [0,2,0,0,0,0|0,0,0]=2 76 B11R0.148 CCCCCCCCCC(N)=O T31308 [0,2,0,0,0,0|0,0,0]=2 77 B11R0.148 CCCCCCCCCC(O)=O T30126 [0,2,0,0,0,0|0,0,0]=2 78 B11R0.148 CCCCCCCCCC(O)=O T33472 [0,2,0,0,0,0|0,0,0]=2 79 B11R0.148 CCCCCCCCCC(O)=O T33485 [0,2,0,0,0,0|0,0,0]=2 80 B11R0.148 CCCCCCCCCC(O)=O T3379 [0,2,0,0,0,0|0,0,0]=2 81 B11R0.148 CCCCCCCCCC(O)=O T34161 [0,2,0,0,0,0|0,0,0]=2 82 B11R0.148 CCCCCCCCCC([O-])=O T21240 [0,2,0,0,0,0|0,0,0]=2 83 B11R0.148 CCCCCCCCCC([O-])=O T30689 [0,2,0,0,0,0|0,0,0]=2 84 B11R0.148 CCCCCCCCCC([O-])=O T30994 [0,2,0,0,0,0|0,0,0]=2 85 B11R0.148 CCCCCCCCCC([O-])=O T31345 [0,2,0,0,0,0|0,0,0]=2 86 B11R0.148 CCCCCCCCCC([O-])=O T33164 [0,2,0,0,0,0|0,0,0]=2 87 B11R0.148 CCCCCCCCCC([O-])=O T34116 [0,2,0,0,0,0|0,0,0]=2 88 B11R0.148 CCCCCCCCCC([O-])=O T35308 [0,2,0,0,0,0|0,0,0]=2 89 B11R0.148 CCCCCCCCOC(C)=O T5667 [0,2,0,0,0,0|0,0,0]=2 90 B11R0.148 CCCCCCC\C=C\C(O)=O T29343 [0,2,0,0,0,0|0,0,1]=3 91 B11R0.148 NCCCCCCCNC(N)=N T11372 [0,2,0,0,0,0|2,0,0]=4 92 B11R0.148 NCCOCCOCCC(O)=O T14228 [0,2,0,0,0,0|2,0,0]=4 93 B11R0.148 OC(=O)CCOCCOCCBr T14789 [0,2,0,0,0,0|2,0,0]=4 94 B11R0.148 OCCOCCOCCC(O)=O T15515 [0,2,0,0,0,0|2,0,0]=4 95 B11R0.3 BrCCCCCCCCCCBr T21133 [0,2,0,0,0,0|1,0,1]=4 96 B11R0.3 C(CCCCC[NH3+])CCCC[NH3+] T29266 [0,2,0,0,0,0|1,0,1]=4 97 B11R0.3 CCCCCC/C=C/CCC=O T29255 [0,2,0,0,0,0|0,0,0]=2 98 B11R0.3 CCCCCCCCCCC=O TN6898 [0,2,0,0,0,0|0,0,0]=2 99 B11R0.3 CCCCCCCCCCCC TN6897 [0,2,0,0,0,0|1,0,1]=4 100 B11R0.3 CCCCCCCCCCCO T7480 [0,2,0,0,0,0|0,0,2]=4 101 B11R0.3 CCCCCCCCCCOC T31321 [0,2,0,0,0,0|0,0,2]=4 102 B11R0.3 COCCOCCOCCC=O T15850 [0,2,0,0,0,0|1,0,0]=3 103 B11R0.3 FCCCCCCCCCCBr T31319 [0,2,0,0,0,0|1,0,1]=4 104 B11R0.3 FCCCCCCCCCCCl T31320 [0,2,0,0,0,0|1,0,1]=4 105 B11R0.3 FCCCCCCCCCCF T31317 [0,2,0,0,0,0|1,0,1]=4 106 B11R0.3 ICCCCCCCCCCI T21134 [0,2,0,0,0,0|1,0,1]=4 107 B11R0.3 N#CCCCCCCCCC#N T21149 [0,2,0,0,0,0|1,0,1]=4 108 B11R0.3 OCCCCCCCCCC=C T22216 [0,2,0,0,0,0|1,0,0]=3 109 B11R0.3 OCCCCCCCCCCF T31348 [0,2,0,0,0,0|0,0,2]=4 110 B11R0.3 OCCCCCCCCCCO T21096 [0,2,0,0,0,0|0,0,2]=4 111 B11R0.3 SCCCCCCCCCCS T21143 [0,2,0,0,0,0|0,1,1]=4 112 B11R0.11 CCCCC(O)C(O)CCCC T31335 [0,2,0,0,0,0|1,0,1]=4 113 B9R1.8 CCCC1NCCCC1 TN3695 [1,0,0,1,0,0|1,0,0]=3 114 B9R1.8 OCCN1CCCCC1 T33732 [1,0,0,1,0,0|1,0,1]=4 115 B11R1.24 CCCCC1CCCC(=O)O1 TN6697 [0,1,0,1,0,0|0,0,0]=2 116 B11R1.27 CCCCCC1CCC(O1)=O TN6700 [0,1,0,1,0,0|0,0,0]=2 117 B11R1.86 CN1CCCCC1CC(C)=O TN4560 [0,1,0,1,0,0|1,0,0]=3 118 B11R1.86 C[C@H](O)C[C@@H]1CCCCN1C TN4615 [0,1,0,1,0,0|2,0,0]=4 119 B11R1.86 C[C@H](O)C[C@H]1CCCCN1C TN4612 [0,1,0,1,0,0|2,0,0]=4 120 B11R1.91 NC(=N)NCC1CCCCC1 T50058 [0,1,0,1,0,0|2,0,0]=4 121 B11R1.28 NCCCNC1CCCCC1 T35878 [0,1,0,1,0,0|1,0,1]=4 122 B11R2.4 N[C@@H]1C[C@H]1C2CCCCC2 T24718 [0,0,0,2,0,0|1,0,1]=4