0 B8R0.4 CCCCCC\C=C\I 0029AQ [1,0,0,0,0,0|1,0,1]=3 1 B8R0.4 O=CCCCCCCBr 3685AJ [1,0,0,0,0,0|1,0,2]=4 2 B8R0.7 C=C(Br)CCCCCC 3761AD [1,0,0,0,0,0|2,0,1]=4 3 B8R0.7 CCCCC#CC(=O)O 5639AL [1,0,0,0,0,0|0,0,2]=3 4 B8R0.7 CCCCCC[N+](=O)[O-] 7544AF [1,0,0,0,0,0|1,0,2]=4 5 B10R0.4 O=C(O)CCCCCCCO 1908AC [0,1,0,0,0,0|0,0,2]=3 6 B10R0.4 O=C(O)CCCCCCCS 0512AQ [0,1,0,0,0,0|0,0,2]=3 7 B10R0.4 O=C(O)COCCOCCO X3816 [0,1,0,0,0,0|2,0,1]=4 8 B10R0.55 CCC(=O)CCCCC(=O)O 3107AE [0,1,0,0,0,0|0,0,3]=4 9 B10R1.16 CCCCN1C=CC(N)=N1 8995AE [0,0,0,1,0,0|3,0,0]=4 10 B10R1.18 O=C(O)C=C1CCNCC1 4458AJ [0,0,0,1,0,0|1,0,0]=2 11 B10R1.61 CC1CCCCC1C(=O)O 2112AL [0,0,0,1,0,0|0,0,2]=3 12 B10R1.61 CC1NCCCC1C(=O)O 1812AJ [0,0,0,1,0,0|1,0,2]=4 13 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O Z1639 [0,0,0,1,0,0|2,0,1]=4 14 B10R1.61 [C@@H]1(N)CCCC[C@H]1C(=O)O 0075AP [0,0,0,1,0,0|1,0,2]=4 15 B10R1.64 CC1CCCC1CC(=O)O Y7155 [0,0,0,1,0,0|0,0,2]=3 16 B10R1.64 CN1CCC\C1=C/[N+](=O)[O-] 3994AF [0,0,0,1,0,0|2,0,1]=4 17 B10R1.64 O=C(O)\C=C1/CCCC1=O 4938AC [0,0,0,1,0,0|1,0,1]=3 18 B10R1.66 NC(=O)COC1CCCC1 5275AJ [0,0,0,1,0,0|2,0,1]=4 19 B10R1.66 O=C(O)CC[C@@H]1CCCN1 9638AB [0,0,0,1,0,0|1,0,2]=4 20 B10R1.348 O=C(O)C1CNCCCO1 5563AJ [0,0,0,1,0,0|2,0,1]=4 21 B7R0.1 CC\C=C/CCCC 7443AL [2,0,0,0,0,0|1,0,1]=4 22 B7R0.4 CCC\C=C\B(O)O X4901 [2,0,0,0,0,0|1,0,1]=4 23 B7R0.4 NCCNCC(=O)O W4767 [2,0,0,0,0,0|2,0,0]=4 24 B9R0.45 C\C=C/CCCCCCC 7421AL [1,1,0,0,0,0|1,0,1]=4 25 B9R0.4 CCCCC(C)CC(=O)O 7656AB [1,1,0,0,0,0|0,0,1]=3 26 B9R0.47 NC(CCCCO)C(=O)O 3217AB [1,1,0,0,0,0|1,0,1]=4 27 B9R0.47 N[C@@H](CCCCO)C(=O)O 8990AB [1,1,0,0,0,0|1,0,1]=4 28 B9R0.47 O=C(O)C(Br)CCCCBr 5812AA [1,1,0,0,0,0|1,0,1]=4 29 B9R0.48 CCCC(=O)CCC(=O)O 3321AF [1,1,0,0,0,0|0,0,2]=4 30 B11R0.111 CCC(=O)CCCCCC(=O)O 6875AD [0,2,0,0,0,0|0,0,2]=4 31 B11R0.4 CCCCCC#CC(=O)OCC 7851AL [0,2,0,0,0,0|0,0,2]=4 32 B11R0.4 CCOC(=O)\C=C\CCCCCl 3076AL [0,2,0,0,0,0|1,0,0]=3 33 B9R1.8 O=CCN1CCCCC1 X3787 [1,0,0,1,0,0|1,0,1]=4 34 B9R1.12 CCCCC1C=CC=C1 5026AC [1,0,0,1,0,0|1,0,0]=3 35 B9R1.50 NC1C=CCCCCC1 5931AD [1,0,0,1,0,0|1,0,1]=4 36 B9R1.2 CCC1CCCC(=O)N1 7643AB [1,0,0,1,0,0|1,0,1]=4 37 B9R1.6 O=C(O)C1=CCCNC1 Y1163 [1,0,0,1,0,0|1,0,0]=3 38 B9R1.6 O=C(O)C1=CCNCC1 7359AE [1,0,0,1,0,0|1,0,0]=3 39 B9R1.6 O=C([O-])C1CCCCC1 6421AA [1,0,0,1,0,0|0,0,2]=4 40 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O 5394AA [1,0,0,1,0,0|1,0,1]=4 41 B9R1.84 O=[N+]([O-])\C=C\C1CCC1 0885AA [1,0,0,1,0,0|1,0,1]=4 42 B11R1.124 CCCC1=CC(C(=O)O)=CS1 1721AF [0,1,0,1,0,0|1,0,1]=4 43 B11R1.86 CC1CCCCN1CC(=O)O 0823AF [0,1,0,1,0,0|0,0,2]=4 44 B11R1.86 CN1CCCCC1CC(=O)O 1026AL [0,1,0,1,0,0|0,0,2]=4 45 B11R1.91 O=C(O)C#CC1CCCCC1 6023AB [0,1,0,1,0,0|0,0,2]=4 46 B11R1.20 N[C@H]1CC[C@H](CC(=O)O)CC1 1879AC [0,1,0,1,0,0|0,0,2]=4 47 B11R1.20 O=C(O)CN1CCC(O)CC1 5404AD [0,1,0,1,0,0|1,0,1]=4 48 B11R1.852 COC(=O)C1CCCCCC1 9004AB [0,1,0,1,0,0|0,0,2]=4 49 B11R1.852 COC(=O)C1CCCCCN1 7361AB [0,1,0,1,0,0|1,0,1]=4 50 B11R1.852 COC(=O)C1CCCCCN1 Y6189 [0,1,0,1,0,0|1,0,1]=4 51 B11R1.36 C[C@@H](C(=O)O)C1CCCCC1 8971AH [0,1,0,1,0,0|0,0,2]=4 52 B11R1.36 C[C@H](C(=O)O)C1CCCCC1 9133AH [0,1,0,1,0,0|0,0,2]=4 53 B11R1.737 NC1(C(=O)O)CCCCCC1 Z5944 [0,1,0,1,0,0|0,0,2]=4 54 B11R2.10 O=C1C=C2CNCCC2S1 6344AC [0,0,0,2,0,0|1,1,0]=4 55 B11R2.845 O=C(O)C1NC2CCC1C2 4076AC [0,0,0,2,0,0|1,0,1]=4 56 B11R2.845 OB(O)C1=CC2CCC1C2 X0606 [0,0,0,2,0,0|1,0,1]=4 57 B11R2.845 [C@H]12CC[C@H](C1)N[C@@H]2C(=O)O 6193AB [0,0,0,2,0,0|1,0,1]=4