0 B9R0.2 CC(=O)NCCCCCN T5222 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.2 CCCCC/C=C/C(O)=O T5261 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.2 CCCCCCCC(C)=O T29360 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.2 CCCCCCCC(C)O TN6692 [0,0,0,0,0,0|1,0,1]=2 4 B9R0.2 CCCCCCCC(O)=O T3946 [0,0,0,0,0,0|0,0,0]=0 5 B9R0.2 CCCCCNCC(N)=O T24465 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.2 CCCCCNCC(N)=O T50055 [0,0,0,0,0,0|2,0,0]=2 7 B9R0.2 CNCCOCCC(O)=O T16047 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.2 COCCOCCC(O)=O T15841 [0,0,0,0,0,0|2,0,0]=2 9 B9R0.2 NCCSSCCC(O)=O T14258 [0,0,0,0,0,0|3,0,0]=3 10 B9R0.2 NOCCCCCC(O)=O T18489 [0,0,0,0,0,0|2,0,0]=2 11 B9R0.2 OC(=O)CCCCCC#C T17345 [0,0,0,0,0,0|0,0,2]=2 12 B9R0.2 OC(=O)COCCN=[N+]=[N-] T14408 [0,0,0,0,0,0|4,0,0]=4 13 B8R0.4 NCCCCCCCN T7998 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.7 CC(=O)NCCCCN T7508 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.7 CCCCCCC(C)=O TN6693 [1,0,0,0,0,0|1,0,0]=2 16 B8R0.7 NCCCCCC(O)=O T0881 [1,0,0,0,0,0|1,0,0]=2 17 B8R0.7 NCCOCCC(O)=O T14222 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.7 OC(=O)CCOCC#C T16583 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.7 OC(=O)CCOCCBr T14783 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.7 OCCOCCC(O)=O T15510 [1,0,0,0,0,0|2,0,0]=3 21 B10R0.4 C(CCCCC)CCC(C)C T29356 [0,1,0,0,0,0|2,0,1]=4 22 B10R0.4 CC(=O)CCCCCCC=C T29489 [0,1,0,0,0,0|1,0,1]=3 23 B10R0.4 CCCCCCCCC(C)C T31326 [0,1,0,0,0,0|2,0,1]=4 24 B10R0.4 CCCCCCCCC(O)=O T3947 [0,1,0,0,0,0|0,0,0]=1 25 B10R0.4 CCCCCCCC[C@@H](C)Br T31325 [0,1,0,0,0,0|2,0,1]=4 26 B10R0.4 CCCCCCCC[C@@H](C)O T31300 [0,1,0,0,0,0|1,0,1]=3 27 B10R0.4 CCCCCCCOC(C)=O TN6701 [0,1,0,0,0,0|1,0,0]=2 28 B10R0.4 NCCCCCCCC(O)=O T8102 [0,1,0,0,0,0|0,0,0]=1 29 B10R0.4 NCCOCCOCC(O)=O T15459 [0,1,0,0,0,0|2,0,0]=3 30 B10R0.4 OC(=O)CCOCCN=[N+]=[N-] T14405 [0,1,0,0,0,0|3,0,0]=4 31 B10R0.4 OCCOCCOCC(O)=O T15521 [0,1,0,0,0,0|2,0,0]=3 32 B10R0.6 CCCCCC(CC(O)=O)O T9719 [0,1,0,0,0,0|0,0,0]=1 33 B10R0.22 COCCOCCP(O)(O)=O T15847 [0,1,0,0,0,0|3,0,0]=4 34 B10R0.22 OP(O)(=O)CCCCCCBr T14056 [0,1,0,0,0,0|2,0,0]=3 35 B10R0.55 COC(=O)CCCCC(O)=O T33475 [0,1,0,0,0,0|1,0,1]=3 36 B10R0.74 CCCCCCCC(=O)OC TN6890 [0,1,0,0,0,0|0,0,0]=1 37 B10R0.74 CCCCCCC[C@@H](C)CC T31327 [0,1,0,0,0,0|2,0,1]=4 38 B10R0.75 C(=O)([C@@H](N)CSCCCO)O T1481 [0,1,0,0,0,0|2,0,0]=3 39 B10R0.75 CCCCCCC(N)C(O)=O T9493 [0,1,0,0,0,0|0,0,0]=1 40 B10R0.75 CCCCCCC(O)C(O)=O T7481 [0,1,0,0,0,0|0,0,0]=1 41 B10R0.75 NCCCSC[C@H](N)C(O)=O T29988 [0,1,0,0,0,0|2,0,0]=3 42 B10R0.75 NCCC[Se]C[C@H](N)C(O)=O T34606 [0,1,0,0,0,0|2,0,0]=3 43 B10R0.75 N[C@@H](CCSCCO)C(O)=O T34636 [0,1,0,0,0,0|2,0,0]=3 44 B10R0.78 CCCCC(C)CCC(O)=O T8089 [0,1,0,0,0,0|0,0,0]=1 45 B10R0.97 OC(=O)CCCCCC(O)=O T4795 [0,1,0,0,0,0|1,0,1]=3 46 B10R0.97 OC(=O)CCOCCC(O)=O T14626 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.61 ON1CCCCC1C(O)=O T19458 [0,0,0,1,0,0|2,0,0]=3 48 B7R0.1 CCCCCCCO TN6893 [2,0,0,0,0,0|0,0,0]=2 49 B7R0.1 CNCCOCCO T32120 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.4 NCCCCC(O)=O T5089 [2,0,0,0,0,0|1,0,0]=3 51 B7R0.4 OC(=O)COCCBr T14786 [2,0,0,0,0,0|2,0,0]=4 52 B9R0.45 C=CCCCCCCCC T21040 [1,1,0,0,0,0|1,0,0]=3 53 B9R0.45 CCCCCCCCCO TN6912 [1,1,0,0,0,0|0,0,1]=3 54 B9R0.1 COC(=O)CCCC(O)=O T4764 [1,1,0,0,0,0|1,0,1]=4 55 B9R0.4 NCCC[C@@H](N)CC(O)=O T29260 [1,1,0,0,0,0|1,0,0]=3 56 B9R0.47 CCCCCC(C)C(O)=O T8008 [1,1,0,0,0,0|0,0,0]=2 57 B9R0.47 CCSCC[C@@H](C(O)=O)N T20128 [1,1,0,0,0,0|1,0,0]=3 58 B9R0.47 NCCCCC(N)C(O)=O T19290 [1,1,0,0,0,0|1,0,0]=3 59 B9R0.47 NCCCC[C@@H](N)C(O)=O T21054 [1,1,0,0,0,0|1,0,0]=3 60 B9R0.47 NCCCC[C@@H](N)C(O)=O T33065 [1,1,0,0,0,0|1,0,0]=3 61 B9R0.47 NCCCC[C@H](N)C(N)=O T32814 [1,1,0,0,0,0|2,0,0]=4 62 B9R0.47 NCCCC[C@H](N)C(O)=O T21053 [1,1,0,0,0,0|1,0,0]=3 63 B9R0.47 NCCCC[C@H](N)C(O)=O T21055 [1,1,0,0,0,0|1,0,0]=3 64 B9R0.47 NCCCC[C@H](N)C(O)=O T2A2498 [1,1,0,0,0,0|1,0,0]=3 65 B9R0.47 NCCCC[C@H](N)C(O)=O T2A2498L2 [1,1,0,0,0,0|1,0,0]=3 66 B9R0.47 NCCCC[C@H](N)C(O)=O T32815 [1,1,0,0,0,0|1,0,0]=3 67 B9R0.47 NCCCC[C@H](N)C(O)=O T32819 [1,1,0,0,0,0|1,0,0]=3 68 B9R0.47 NCCCC[C@H](N)C(O)=O T33047 [1,1,0,0,0,0|1,0,0]=3 69 B9R0.47 NCCCC[C@H](N)C(O)=O T33050 [1,1,0,0,0,0|1,0,0]=3 70 B9R0.47 NCCCC[C@H](N)C(O)=O T33051 [1,1,0,0,0,0|1,0,0]=3 71 B9R0.47 NCCCC[C@H](N)C(O)=O T33054 [1,1,0,0,0,0|1,0,0]=3 72 B9R0.47 NCCCC[C@H](N)C(O)=O T33056 [1,1,0,0,0,0|1,0,0]=3 73 B9R0.47 NCCCC[C@H](N)C(O)=O T33057 [1,1,0,0,0,0|1,0,0]=3 74 B9R0.47 NCCCC[C@H](N)C(O)=O T33060 [1,1,0,0,0,0|1,0,0]=3 75 B9R0.47 NCCCC[C@H](N)C(O)=O T33061 [1,1,0,0,0,0|1,0,0]=3 76 B9R0.47 NCCCC[C@H](N)C(O)=O T33063 [1,1,0,0,0,0|1,0,0]=3 77 B9R0.47 NCCCC[C@H](N)C(O)=O T33089 [1,1,0,0,0,0|1,0,0]=3 78 B9R0.47 NCCCC[C@H](N)C(O)=O T8071 [1,1,0,0,0,0|1,0,0]=3 79 B9R0.47 NCCCC[C@H]([NH3+])C(O)=O T2A2498L [1,1,0,0,0,0|1,0,0]=3 80 B9R0.47 NCCOC[C@H](N)C(O)=O T11795 [1,1,0,0,0,0|2,0,0]=4 81 B9R0.47 NCC[Se]C[C@H](N)C(O)=O T26183 [1,1,0,0,0,0|2,0,0]=4 82 B9R0.47 N[C@@H](CCCCN)C(O)=O T24153 [1,1,0,0,0,0|1,0,0]=3 83 B9R0.47 N[C@@H](CCCCN)C(O)=O T2A2498L3 [1,1,0,0,0,0|1,0,0]=3 84 B9R0.47 N[C@@H](CSCCN)C(O)=O T34844 [1,1,0,0,0,0|2,0,0]=4 85 B9R0.55 CC(=O)NCCCC(O)=O T4728 [1,1,0,0,0,0|1,0,1]=4 86 B9R0.55 CC(=O)OCCCC(O)=O T23605 [1,1,0,0,0,0|1,0,1]=4 87 B9R0.55 OC(=O)CCCCC(O)=O T2228 [1,1,0,0,0,0|1,0,1]=4 88 B9R0.55 OC(=O)CCCCC(O)=O T7146 [1,1,0,0,0,0|1,0,1]=4 89 B11R0.1 CCC[C@@H](C)C[C@H](N)CC(O)=O T16447 [0,2,0,0,0,0|0,0,0]=2 90 B11R0.1 CCC[C@@H](C)C[C@H](N)CC(O)=O T32143 [0,2,0,0,0,0|0,0,0]=2 91 B11R0.59 CCOC(=O)[C@@H](N)CCC(O)=O T31709 [0,2,0,0,0,0|1,0,1]=4 92 B11R0.141 CCNC(=O)CC[C@H](N)C(O)=O T2800 [0,2,0,0,0,0|1,0,1]=4 93 B11R0.2 CCCCCCC(=O)CC(C)=O T31334 [0,2,0,0,0,0|1,0,0]=3 94 B11R0.30 CC(=O)NCCCCCC(O)=O T0436 [0,2,0,0,0,0|0,0,1]=3 95 B11R0.30 OC(=O)CCCCCCC(O)=O T4734 [0,2,0,0,0,0|0,0,1]=3 96 B11R0.40 CCCCCCCCC(=C)C=O T31306 [0,2,0,0,0,0|1,0,0]=3 97 B11R0.40 CCCCCCCCC(=O)C=O T31307 [0,2,0,0,0,0|0,0,1]=3 98 B11R0.40 CCCCCCCCC(=O)OC TN6918 [0,2,0,0,0,0|0,0,0]=2 99 B11R0.40 CCCCCCCC[C@@H](Br)C=O T29336 [0,2,0,0,0,0|1,0,1]=4 100 B11R0.40 CCCCCCCC[C@@H](O)CO T21141 [0,2,0,0,0,0|0,0,2]=4 101 B11R0.40 CCCCCCCC[C@H](C)C=O T29253 [0,2,0,0,0,0|1,0,1]=4 102 B11R0.40 OCCOCCOCC(=O)O[Na] T15521L [0,2,0,0,0,0|2,0,0]=4 103 B11R0.148 C(CCCCCCCCC)(=N)N T31312 [0,2,0,0,0,0|2,0,0]=4 104 B11R0.148 CCCCCCC/C=C/C(O)=O T7332 [0,2,0,0,0,0|0,0,0]=2 105 B11R0.148 CCCCCCC/C=C\C(O)=O TQ0251 [0,2,0,0,0,0|0,0,0]=2 106 B11R0.148 CCCCCCCCCC(C)=O T8017 [0,2,0,0,0,0|1,0,0]=3 107 B11R0.148 CCCCCCCCCC(C)O T22221 [0,2,0,0,0,0|1,0,1]=4 108 B11R0.148 CCCCCCCCCC(F)=O T31304 [0,2,0,0,0,0|1,0,0]=3 109 B11R0.148 CCCCCCCCCC(N)=O T31308 [0,2,0,0,0,0|1,0,0]=3 110 B11R0.148 CCCCCCCCCC(O)=O T30126 [0,2,0,0,0,0|0,0,0]=2 111 B11R0.148 CCCCCCCCCC(O)=O T33472 [0,2,0,0,0,0|0,0,0]=2 112 B11R0.148 CCCCCCCCCC(O)=O T33485 [0,2,0,0,0,0|0,0,0]=2 113 B11R0.148 CCCCCCCCCC(O)=O T3379 [0,2,0,0,0,0|0,0,0]=2 114 B11R0.148 CCCCCCCCCC(O)=O T34161 [0,2,0,0,0,0|0,0,0]=2 115 B11R0.148 CCCCCCCCCC([O-])=O T21240 [0,2,0,0,0,0|0,0,1]=3 116 B11R0.148 CCCCCCCCCC([O-])=O T30689 [0,2,0,0,0,0|0,0,1]=3 117 B11R0.148 CCCCCCCCCC([O-])=O T30994 [0,2,0,0,0,0|0,0,1]=3 118 B11R0.148 CCCCCCCCCC([O-])=O T31345 [0,2,0,0,0,0|0,0,1]=3 119 B11R0.148 CCCCCCCCCC([O-])=O T33164 [0,2,0,0,0,0|0,0,1]=3 120 B11R0.148 CCCCCCCCCC([O-])=O T34116 [0,2,0,0,0,0|0,0,1]=3 121 B11R0.148 CCCCCCCCCC([O-])=O T35308 [0,2,0,0,0,0|0,0,1]=3 122 B11R0.148 CCCCCCCCOC(C)=O T5667 [0,2,0,0,0,0|1,0,0]=3 123 B11R0.148 CCCCCCC\C=C\C(O)=O T29343 [0,2,0,0,0,0|0,0,0]=2 124 B11R0.148 NCCCCCCCNC(N)=N T11372 [0,2,0,0,0,0|2,0,0]=4 125 B11R0.148 NCCOCCOCCC(O)=O T14228 [0,2,0,0,0,0|1,0,0]=3 126 B11R0.148 OC(=O)CCOCCOCC#C T16597 [0,2,0,0,0,0|0,0,2]=4 127 B11R0.148 OC(=O)CCOCCOCCBr T14789 [0,2,0,0,0,0|1,0,0]=3 128 B11R0.148 OCCOCCOCCC(O)=O T15515 [0,2,0,0,0,0|1,0,0]=3 129 B11R0.176 OC(=O)CCCCC(S)CCS T21233 [0,2,0,0,0,0|0,0,0]=2 130 B11R0.176 OC(=O)CCCC[C@@H](S)CCS T21234 [0,2,0,0,0,0|0,0,0]=2 131 B11R0.29 CC(=N)NCCC[C@H](N)C(O)=O T11806 [0,2,0,0,0,0|1,0,1]=4 132 B11R0.29 O=C(O)[C@@H](N)CCCCB(O)O T26516 [0,2,0,0,0,0|2,0,0]=4 133 B11R0.4 CCCCCCCC(OCC)=O TN6743 [0,2,0,0,0,0|0,0,0]=2 134 B11R0.164 CCCCC(CC)CCC(O)=O T7456 [0,2,0,0,0,0|0,0,0]=2 135 B9R1.8 CCCC1NCCCC1 TN3695 [1,0,0,1,0,0|1,0,1]=4 136 B9R1.8 OCCN1CCCCC1 T33732 [1,0,0,1,0,0|1,0,1]=4 137 B9R1.6 OC(=O)C1CCCCC1 T5563 [1,0,0,1,0,0|0,0,0]=2 138 B9R1.6 OC(=O)C1CCCCN1 T4819 [1,0,0,1,0,0|1,0,0]=3 139 B9R1.6 OC(=O)C1CCNCC1 T22348 [1,0,0,1,0,0|1,0,0]=3 140 B9R1.6 OC(=O)[C@@H]1CCCCN1 T4762 [1,0,0,1,0,0|1,0,0]=3 141 B9R1.6 OC(=O)[C@H]1CCCCN1 T13634 [1,0,0,1,0,0|1,0,0]=3 142 B9R1.6 OC(=O)[C@H]1CCCNC1 T20114 [1,0,0,1,0,0|1,0,0]=3 143 B9R1.6 OC([C@@H]1CCCNC1)=O T22482 [1,0,0,1,0,0|1,0,0]=3 144 B9R1.6 [O-][N+](=O)C1CCCCC1 T20405 [1,0,0,1,0,0|1,0,1]=4 145 B9R1.41 CN1CCC[C@H]1C(O)=O T40569 [1,0,0,1,0,0|1,0,0]=3 146 B9R1.41 NC1CCCC1C(O)=O T27023 [1,0,0,1,0,0|1,0,0]=3 147 B11R1.24 CCCCC1CCCC(=O)O1 TN6697 [0,1,0,1,0,0|0,0,0]=2 148 B11R1.27 CCCCCC1CCC(O1)=O TN6700 [0,1,0,1,0,0|0,0,0]=2 149 B11R1.86 CN1CCCCC1CC(C)=O TN4560 [0,1,0,1,0,0|1,0,0]=3 150 B11R1.86 C[C@H](O)C[C@@H]1CCCCN1C TN4615 [0,1,0,1,0,0|1,0,1]=4 151 B11R1.86 C[C@H](O)C[C@H]1CCCCN1C TN4612 [0,1,0,1,0,0|1,0,1]=4 152 B11R1.91 NC(=N)NCC1CCCCC1 T50058 [0,1,0,1,0,0|2,0,0]=4 153 B11R1.509 OS(=O)(=O)NC1CCCCC1 T0941 [0,1,0,1,0,0|2,0,0]=4 154 B11R1.40 CCC(=O)OC1CCCCC1 T29781 [0,1,0,1,0,0|2,0,0]=4 155 B11R1.222 ON1CCCCC1C(=O)O[K] T19457 [0,1,0,1,0,0|2,0,0]=4 156 B11R2.432 CN1C2CCC1CC(=O)C2 Fr13711 [0,0,0,2,0,0|2,0,0]=4