0 B10R0.3 CCCC(=O)CCCC(=O)O 1674AE [0,0,0,0,0,0|0,0,0]=0 1 B9R0.1 CCC(=O)CCCC(=O)O 1673AE [1,0,0,0,0,0|0,0,0]=1 2 B9R0.2 CCCCCCCB(O)O Y5025 [1,0,0,0,0,0|1,0,2]=4 3 B9R0.2 CCCCCCCC(N)=O 7980AF [1,0,0,0,0,0|1,0,1]=3 4 B9R0.2 CCCCCCC[13C](=O)O 8956AJ [1,0,0,0,0,0|0,0,1]=2 5 B9R0.2 CCCCCCOC(C)=O 7968AF [1,0,0,0,0,0|2,0,1]=4 6 B9R0.2 COCCOCCC(=O)O X3859 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.2 NCCCCCCC(=O)O X4768 [1,0,0,0,0,0|1,0,1]=3 8 B11R0.1 CCOC(=O)CC(C)OC(C)=O 7790AL [0,1,0,0,0,0|3,0,0]=4 9 B11R0.104 O=C(O)CCCS(=O)(=O)CCCl 6183AL [0,1,0,0,0,0|2,0,0]=3 10 B11R1.15 CCOC(=O)C1CCC(=O)C1 W6832 [0,0,0,1,0,0|2,0,0]=3 11 B11R1.15 CCOC(=O)C1CNC(=O)C1 8987AB [0,0,0,1,0,0|3,0,0]=4 12 B11R1.15 CCOC(=O)N1CCC(=O)C1 3645AH [0,0,0,1,0,0|3,0,0]=4 13 B11R1.172 O=C(O)COCC1CCCO1 0776AF [0,0,0,1,0,0|1,0,2]=4 14 B9R0.48 CCOC(=O)CCC(N)=O 3830AL [0,0,0,0,1,0|2,0,0]=3 15 B8R0.6 CCCCCC(=O)CC 6144AL [2,0,0,0,0,0|1,0,1]=4 16 B8R0.7 CCCCCCC(=O)[O-] 7832AL [2,0,0,0,0,0|0,0,1]=3 17 B8R0.7 CCCCCCC(C)O Z6063 [2,0,0,0,0,0|1,0,1]=4 18 B8R0.7 NC(=O)CCCCCBr 8542AB [2,0,0,0,0,0|2,0,0]=4 19 B8R0.7 NCCCCCC(=O)O 5982AB [2,0,0,0,0,0|1,0,0]=3 20 B8R0.7 NCCCNCC(=O)O 8332AL [2,0,0,0,0,0|2,0,0]=4 21 B8R0.7 O=C(Cl)CCCCCBr 5957AH [2,0,0,0,0,0|2,0,0]=4 22 B8R0.28 CC(=O)CCOC(C)=O 0405AA [2,0,0,0,0,0|2,0,0]=4 23 B8R0.4 CC\C=C/CCCCO 7454AL [2,0,0,0,0,0|0,0,2]=4 24 B8R0.1 C=CCCC(=O)OCC 7864AL [2,0,0,0,0,0|1,0,1]=4 25 B8R0.1 CCCOC(=O)CCC 9026AJ [2,0,0,0,0,0|1,0,1]=4 26 B8R0.1 CCOC(=O)CCCI 1537AC [2,0,0,0,0,0|2,0,0]=4 27 B10R0.44 COC(=O)CC(C)CC(=O)O Z4530 [1,1,0,0,0,0|1,0,0]=3 28 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O 3665AB [1,1,0,0,0,0|2,0,0]=4 29 B10R0.57 COC(=O)[C@H](N)CCC(=O)O 2389AB [1,1,0,0,0,0|1,0,0]=3 30 B10R0.57 COC(=O)[C@H](N)CCC(N)=O Z3655 [1,1,0,0,0,0|2,0,0]=4 31 B10R0.57 [C@H](N)(CCC(=O)O)C(=O)OC V1174 [1,1,0,0,0,0|1,0,0]=3 32 B10R0.82 COC(=O)CCC(N)C(=O)O 7109AH [1,1,0,0,0,0|1,0,0]=3 33 B10R0.4 CCCCCCCCC(=O)Cl 8642AL [1,1,0,0,0,0|1,0,1]=4 34 B10R0.4 CCCCCCCCC(=O)[O-] 8744AL [1,1,0,0,0,0|0,0,2]=4 35 B10R0.4 CCCCCCCOC(=O)Cl 3970AB [1,1,0,0,0,0|1,0,1]=4 36 B10R0.4 O=C(O)COCCOCCO X3816 [1,1,0,0,0,0|2,0,0]=4 37 B10R0.74 CCCCCCCC(=O)N[O-] 7323AL [1,1,0,0,0,0|0,0,2]=4 38 B10R0.74 COC(=O)CCCCCCBr W6840 [1,1,0,0,0,0|1,0,1]=4 39 B10R0.74 COC(=O)CCCCCCN W3908 [1,1,0,0,0,0|1,0,1]=4 40 B10R0.75 CCCCCCC(O)C(=O)O 7972AF [1,1,0,0,0,0|0,0,1]=3 41 B10R0.75 CCCCCC[C@@H](N)C(=O)O 1467AA [1,1,0,0,0,0|0,0,1]=3 42 B10R0.75 CNCCCC[C@H](N)C(=O)O Z5971 [1,1,0,0,0,0|1,0,1]=4 43 B10R0.97 CC(=O)CCCCCC(=O)O X3704 [1,1,0,0,0,0|0,0,2]=4 44 B10R0.1 CCCCCCC(=O)CCC 9409AB [1,1,0,0,0,0|1,0,1]=4 45 B10R0.1 CCCCCOC(=O)CCC 7746AB [1,1,0,0,0,0|1,0,1]=4 46 B10R0.91 CCCCCC(=O)OCCC 9028AJ [1,1,0,0,0,0|1,0,1]=4 47 B10R0.32 CCOC(=O)[C@@H](N)CC(=O)O 1434AC [0,1,0,0,1,0|1,0,0]=3 48 B10R0.96 CC(=O)CC(=O)CCC(=O)O 7197AB [0,1,0,0,1,0|0,0,1]=3 49 B12R0.140 CC(C)(C)OC(=O)CCCC(=O)O 3308AJ [0,2,0,0,0,0|1,0,0]=3 50 B10R1.13 CC1=CCC(C(=O)O)CC1 6606AL [1,0,0,1,0,0|1,0,1]=4 51 B10R1.13 NC(=O)N1CCC(=O)CC1 3244AB [1,0,0,1,0,0|2,0,0]=4 52 B10R1.13 NC1CCC(C(=O)O)CC1 0769AF [1,0,0,1,0,0|1,0,1]=4 53 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 X0367 [1,0,0,1,0,0|1,0,1]=4 54 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 X2034 [1,0,0,1,0,0|1,0,1]=4 55 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 3218AL [1,0,0,1,0,0|0,0,2]=4 56 B10R1.13 O=C1CCC(C(=O)O)CN1 1361AB [1,0,0,1,0,0|1,0,0]=3 57 B10R1.14 COC(=O)C1CCC(=O)C1 W5454 [1,0,0,1,0,0|2,0,0]=4 58 B10R1.54 O=C1CCC(C[N+](=O)[O-])C1 Z5152 [1,0,0,1,0,0|1,0,1]=4 59 B10R1.10 CCCC1CCCC(=O)O1 R377 [1,0,0,1,0,0|0,0,1]=3 60 B10R1.18 O=C(O)CC1CCCNC1 V7579 [1,0,0,1,0,0|1,0,0]=3 61 B10R1.18 O=C(O)CC1CCCNC1 W8079 [1,0,0,1,0,0|1,0,0]=3 62 B10R1.18 O=C(O)CC1CCNCC1 N549 [1,0,0,1,0,0|1,0,1]=4 63 B10R1.18 O=C(O)CC1CNCCN1 7202AA [1,0,0,1,0,0|2,0,0]=4 64 B10R1.18 O=C(O)CC1CNCCO1 1270AJ [1,0,0,1,0,0|2,0,0]=4 65 B10R1.18 O=C(O)CN1CCCCC1 0202AE [1,0,0,1,0,0|1,0,1]=4 66 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O 1036AL [1,0,0,1,0,0|1,0,1]=4 67 B10R1.66 O=C(O)CCC1OCCO1 Y9117 [1,0,0,1,0,0|2,0,0]=4 68 B10R1.66 O=C(O)CCN1CCCC1 1858AC [1,0,0,1,0,0|1,0,1]=4 69 B10R1.66 O=C(O)COC1CCCC1 5276AJ [1,0,0,1,0,0|1,0,1]=4 70 B10R1.78 O=C1CCCCCCCC1 3914AB [1,0,0,1,0,0|1,0,1]=4 71 B10R1.348 O=C(O)C1CCCCCN1 7360AB [1,0,0,1,0,0|1,0,1]=4 72 B10R1.113 NC1CCCC(C(=O)O)C1 5989AL [0,0,0,1,1,0|1,0,1]=4 73 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 4020AL [0,0,0,1,1,0|1,0,1]=4 74 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 8462AA [0,0,0,1,1,0|1,0,1]=4 75 B10R1.113 O=C(O)C1CCCC(O)C1 6064AL [0,0,0,1,1,0|0,0,2]=4 76 B10R1.113 O=C1CCCC(C(=O)O)C1 8202AA [0,0,0,1,1,0|0,0,0]=2 77 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 W5621 [0,0,0,1,1,0|1,0,0]=3 78 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 1176AC [0,0,0,1,1,0|1,0,0]=3 79 B12R1.17 CCOC(=O)C1CCCC(=O)C1 W5538 [0,0,0,1,0,1|2,0,0]=4 80 B12R1.130 O=C(O)CCCN1CCCC1=O 7913AE [0,0,0,1,0,1|0,0,0]=2 81 B12R1.226 CC1CCCN(CCC(=O)O)C1 0878AF [0,0,0,1,0,1|1,0,1]=4 82 B12R1.101 O=C(O)CC1CC(=O)NC(=O)C1 1056AL [0,1,0,1,0,0|1,0,1]=4 83 B12R1.252 O=C(O)CCCC1CCNCC1 W8719 [0,1,0,1,0,0|1,0,1]=4 84 B12R1.16 CCCC(=O)N1CCC(=O)CC1 4498AF [0,1,0,1,0,0|2,0,0]=4 85 B12R1.895 O=C(O)CCN1C(=O)CCC1=O 5859AE [0,1,0,1,0,0|1,0,1]=4 86 B12R2.2899 O=C1CC2CC(=O)CC(C1)C2 3164AL [0,0,0,2,0,0|1,0,0]=3 87 B8R0.9 CCC(=O)CCC(=O)O 8820AC [1,0,0,0,1,0|0,0,0]=2 88 B8R0.9 CCS(=O)CCC(=O)O 4032AD [1,0,0,0,1,0|1,0,0]=3 89 B8R0.9 COC(=O)CCC(N)=O 8250AL [1,0,0,0,1,0|2,0,0]=4 90 B8R0.9 O=C(O)CNC(=O)CCl 7081AE [1,0,0,0,1,0|2,0,0]=4 91 B12R0.277 CCOC(=O)CCCCCC(=O)O 7877AL [0,0,0,0,0,2|1,0,0]=3