0 B11R0.46 CCCOCC(C)OCC(C)O 8537AJ [0,0,0,0,0,0|3,0,1]=4 1 B10R0.4 CCCCCCCCC(=O)Cl 8642AL [1,0,0,0,0,0|1,0,0]=2 2 B10R0.4 CCCCCCCCC(=O)[O-] 8744AL [1,0,0,0,0,0|0,0,1]=2 3 B10R0.4 CCCCCCCCC(C)C Z5044 [1,0,0,0,0,0|2,0,1]=4 4 B10R0.4 CCCCCCCCC(C)O 5773AF [1,0,0,0,0,0|1,0,1]=3 5 B10R0.4 CCCCCCCOC(=O)Cl 3970AB [1,0,0,0,0,0|2,0,0]=3 6 B10R0.4 CCCCCC\C=C\C(C)=O 2414AL [1,0,0,0,0,0|1,0,2]=4 7 B10R0.4 O=C(O)COCCOCCO X3816 [1,0,0,0,0,0|3,0,0]=4 8 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O 9854AE [1,0,0,0,0,0|3,0,0]=4 9 B10R0.91 CCCCCC(O)CCCC 6764AL [1,0,0,0,0,0|2,0,1]=4 10 B12R0.255 CCCCOCC(C)OCC(C)O 7555AJ [0,1,0,0,0,0|2,0,1]=4 11 B12R1.1 CCCCCC1CC=C(Br)CC1 Z6636 [0,0,0,1,0,0|2,0,0]=3 12 B12R1.1 CCCCC[C@H]1CC[C@H](O)CC1 9227AL [0,0,0,1,0,0|1,0,1]=3 13 B12R1.226 CC1CCCN(CCC(=O)O)C1 0878AF [0,0,0,1,0,0|1,0,0]=2 14 B9R0.2 CCCCCCCB(O)O Y5025 [2,0,0,0,0,0|1,0,1]=4 15 B9R0.2 CCCCCCCC(N)=O 7980AF [2,0,0,0,0,0|1,0,0]=3 16 B9R0.2 CCCCCCC[13C](=O)O 8956AJ [2,0,0,0,0,0|0,0,0]=2 17 B9R0.2 CCCCCCOC(C)=O 7968AF [2,0,0,0,0,0|2,0,0]=4 18 B9R0.2 COCCOCCC(=O)O X3859 [2,0,0,0,0,0|2,0,0]=4 19 B9R0.2 NCCCCCCC(=O)O X4768 [2,0,0,0,0,0|1,0,0]=3 20 B9R0.45 C=CCCCCCCCCl 1177AF [2,0,0,0,0,0|2,0,0]=4 21 B9R0.45 C=CCCCCCCCO 6910AL [2,0,0,0,0,0|2,0,0]=4 22 B9R0.45 CCCCCCCCC#N 8127AF [2,0,0,0,0,0|1,0,1]=4 23 B9R0.45 CCCCCCCCCS Q791 [2,0,0,0,0,0|0,1,1]=4 24 B9R0.45 OCCCCCCCCCl Q040 [2,0,0,0,0,0|1,0,1]=4 25 B9R0.5 CCCCCC(O)CCC 6654AL [2,0,0,0,0,0|1,0,1]=4 26 B11R0.30 CC(=O)NCCCCCC(=O)O R631 [1,1,0,0,0,0|1,0,1]=4 27 B11R0.40 CCCCCCCCC(=O)CC 6166AL [1,1,0,0,0,0|1,0,0]=3 28 B11R0.40 CCCCCCCCC(O)CO V2424 [1,1,0,0,0,0|0,0,2]=4 29 B11R0.148 C=CCCCCCCCC(=O)O Z6188 [1,1,0,0,0,0|0,0,1]=3 30 B11R0.148 CCCCCCCCCC(C)O 5913AF [1,1,0,0,0,0|1,0,1]=4 31 B11R0.148 CCCCCCCCNC(N)=S 3781AD [1,1,0,0,0,0|1,1,0]=4 32 B11R0.148 CCCCCCC\C=C\C(=O)O 4127AH [1,1,0,0,0,0|0,0,1]=3 33 B11R0.148 CCCCC\C=C\CCC(=O)O 6469AL [1,1,0,0,0,0|0,0,1]=3 34 B11R0.148 CCCCOCCOCC(=O)O 4029AL [1,1,0,0,0,0|1,0,0]=3 35 B11R0.148 NCCOCCOCCC(=O)O Y1762 [1,1,0,0,0,0|2,0,0]=4 36 B11R0.148 O=C(O)CCCCCCCCBr Z4721 [1,1,0,0,0,0|0,0,0]=2 37 B11R1.86 CC(=O)CN1CCCCC1C 8273AD [1,0,0,1,0,0|2,0,0]=4 38 B11R1.91 CC(=O)OCC1CCCCC1 7517AL [1,0,0,1,0,0|2,0,0]=4 39 B11R1.91 O=C(O)CCC1CCNCC1 7073AB [1,0,0,1,0,0|1,0,0]=3 40 B11R1.91 O=C(O)CCC1CCNCC1 9555AA [1,0,0,1,0,0|1,0,0]=3 41 B11R1.91 O=C(O)CCN1CCNCC1 2553AB [1,0,0,1,0,0|2,0,0]=4 42 B11R1.91 O=C(O)CCN1CCOCC1 X3841 [1,0,0,1,0,0|2,0,0]=4 43 B11R1.91 O=C(O)CCN1CCOCC1 Z6260 [1,0,0,1,0,0|2,0,0]=4 44 B11R1.143 CN1CCCCCC1C(=O)O 1648AL [1,0,0,1,0,0|1,0,0]=3 45 B11R1.172 O=C(O)COCC1CCCO1 0776AF [1,0,0,1,0,0|2,0,0]=4 46 B11R1.742 O=C(O)CN1CCCCCC1 4967AE [1,0,0,1,0,0|1,0,0]=3 47 B11R1.1 CCCCN1CCC(=O)CC1 V4543 [1,0,0,1,0,0|2,0,0]=4 48 B11R1.928 NC1(CC(=O)O)CCCCC1 1934AE [0,0,0,1,1,0|1,0,0]=3 49 B11R1.928 NC1(CC(=O)O)CCCCC1 W5850 [0,0,0,1,1,0|1,0,0]=3 50 B13R1.280 O=C(O)CCN1CCCCCC1=O 4438AE [0,0,0,1,0,1|1,0,1]=4 51 B13R1.165 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)O X7141 [0,1,0,1,0,0|0,0,0]=2 52 B13R1.165 CC1CCC(C(C)C)C(C(=O)O)C1 1749AJ [0,1,0,1,0,0|0,0,0]=2 53 B13R1.45 O=C(O)CCC(=O)N1CCCCC1 4040AE [0,1,0,1,0,0|1,0,1]=4 54 B13R1.6192 O=C(O)C(=O)NC1CCCCCC1 7463AC [0,1,0,1,0,0|1,0,1]=4 55 B13R1.344 O=C(O)CCC(=O)NC1CCCC1 5274AE [0,1,0,1,0,0|1,0,1]=4 56 B13R2.13132 O=C1CC2(CCCCCC2)CN1 3875AD [0,0,0,2,0,0|2,0,0]=4 57 B9R0.4 CSCC[C@H](N)CC(=O)O Z5847 [1,0,0,0,1,0|2,0,0]=4 58 B9R0.47 CCCCCC(N)C(=O)O 2079AA [0,0,0,0,2,0|1,0,0]=3 59 B9R0.47 CCCCC[C@@H](N)C(=O)O 6195AB [0,0,0,0,2,0|1,0,0]=3 60 B9R0.47 CCSCC[C@@H](N)C(=O)O C618 [0,0,0,0,2,0|2,0,0]=4 61 B9R0.47 NCCCCC(N)C(=O)O 8604AJ [0,0,0,0,2,0|2,0,0]=4 62 B9R0.47 NCCCC[C@H](N)C(=O)O 9230AB [0,0,0,0,2,0|2,0,0]=4