0 B12R0.42 OC(=O)CCCCCC(=O)[C@@H](N)C 1P00I06F [0,0,0,0,0,0|0,0,0]=0 1 B12R0.42 OC(=O)CCCCCC(C(=O)C)C 1P00CMS7 [0,0,0,0,0,0|2,0,2]=4 2 B12R0.42 OC(=O)CCCCCC(C(N)C)N 1P01B74Z [0,0,0,0,0,0|1,0,1]=2 3 B12R0.42 OC(=O)CCCCNC(=O)C(N)C 1P028U6B [0,0,0,0,0,0|1,0,0]=1 4 B11R0.30 CC(=O)CCCCCCC(=O)O 1P00BVAV [1,0,0,0,0,0|1,0,2]=4 5 B11R0.30 CC(CCCCCCC(=O)O)N 1P028EBJ [1,0,0,0,0,0|0,0,1]=2 6 B11R0.30 CC(CCCCCCC(=O)O)O 1P008QC8 [1,0,0,0,0,0|1,0,1]=3 7 B11R0.30 CC(CCNCCCC(=O)O)C 1P01A3AI [1,0,0,0,0,0|2,0,1]=4 8 B11R0.30 ClC(=O)CCCC\C=C\C(C)C 1P003VF9 [1,0,0,0,0,0|2,0,1]=4 9 B11R0.30 OC(=O)CCCCCC=C(F)F 1P0281G7 [1,0,0,0,0,0|2,0,1]=4 10 B11R0.30 OC(=O)CCCCCNC(=O)C 1P00IAMS [1,0,0,0,0,0|2,0,1]=4 11 B11R0.30 OC(=O)CCCCCNC(=O)N 1P001ETG [1,0,0,0,0,0|2,0,1]=4 12 B11R0.30 OC(=O)CCCC\C=C\C(C)C 1P00EC2Y [1,0,0,0,0,0|1,0,1]=3 13 B11R0.111 CCC(CCCCCC(=O)O)C 1P00C0NG [1,0,0,0,0,0|1,0,1]=3 14 B11R0.111 CCC(COCCCC(=O)O)N 1P02904N [1,0,0,0,0,0|2,0,1]=4 15 B11R0.111 CCC(COCCCC(=O)O)N 1P0290E3 [1,0,0,0,0,0|2,0,1]=4 16 B11R0.111 COC(=O)CCCCCC(=O)O 1P0028ZO [1,0,0,0,0,0|1,0,0]=2 17 B11R0.111 COC(=O)CCCCC[N+](=O)[O-] 1P000ZUQ [1,0,0,0,0,0|2,0,1]=4 18 B13R1.350 OC(=O)C1CCCN1C(=O)C(C)C 1P00I50X [0,0,0,1,0,0|2,0,0]=3 19 B13R1.350 OC(=O)[C@@H]1CCCN1C(=O)C(=C)C 1P00DDZE [0,0,0,1,0,0|2,0,1]=4 20 B13R1.350 OC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C 1P003CZA [0,0,0,1,0,0|1,0,0]=2 21 B13R1.350 OC(=O)[C@H]1CCCN1C(=O)C(=C)C 1P007W75 [0,0,0,1,0,0|2,0,1]=4 22 B13R1.587 OC(=O)CC1CCCN(C1)C(C)C 1P01B9OU [0,0,0,1,0,0|3,0,0]=4 23 B13R1.3790 OC(=O)CN1CCNC(=O)C1(C)C 1P00J1X8 [0,0,0,1,0,0|3,0,0]=4 24 B11R0.29 CC(C(=O)OCCCC(=O)O)C 1P027V6X [0,0,0,0,1,0|2,0,0]=3 25 B11R0.29 OC(=O)CCCCN(C(C)C)C 1P028CNI [0,0,0,0,1,0|3,0,0]=4 26 B10R0.4 BrCCCCCCCC(=O)O 1P0025H0 [2,0,0,0,0,0|1,0,1]=4 27 B10R0.4 CCCCCCCCC(=O)C 1P00355G [2,0,0,0,0,0|1,0,1]=4 28 B10R0.4 CCCCCCCCC(=O)Cl 1P003TQU [2,0,0,0,0,0|1,0,1]=4 29 B10R0.4 CCCCCCCCC(=O)N 1P00846Q [2,0,0,0,0,0|1,0,1]=4 30 B10R0.4 CCCCCCCCC(=O)O 1P008436 [2,0,0,0,0,0|0,0,1]=3 31 B10R0.4 CCCCCCCCC(=O)[O-] 1P001CZ2 [2,0,0,0,0,0|0,0,2]=4 32 B10R0.4 CCCCCCOCC(=O)O 1P00EDND [2,0,0,0,0,0|1,0,1]=4 33 B10R0.4 CCCCCNCCC(=O)O 1P028U7J [2,0,0,0,0,0|1,0,1]=4 34 B10R0.4 CCOCCCCCC(=O)O 1P01BS9O [2,0,0,0,0,0|1,0,0]=3 35 B10R0.4 CCOCCOCCC(=O)O 1P00HUYT [2,0,0,0,0,0|2,0,0]=4 36 B10R0.4 CNCCCCCCC(=O)O 1P006J34 [2,0,0,0,0,0|1,0,1]=4 37 B10R0.4 CSCCCCCCC(=O)O 1P007BNP [2,0,0,0,0,0|1,0,1]=4 38 B10R0.4 ClCCCCCCCC(=O)O 1P027KB7 [2,0,0,0,0,0|1,0,1]=4 39 B10R0.4 NCCCCCCCC(=O)O 1P0001OY [2,0,0,0,0,0|0,0,1]=3 40 B10R0.4 NCCCCCCCC(=O)O 1P00BLJO [2,0,0,0,0,0|0,0,1]=3 41 B10R0.4 NCCCCCCNC(=O)O 1P006XFU [2,0,0,0,0,0|1,0,1]=4 42 B10R0.4 NCCCNCCCC(=O)O 1P01B8A0 [2,0,0,0,0,0|1,0,1]=4 43 B10R0.4 NCCCOCCCC(=O)O 1P028RTF [2,0,0,0,0,0|1,0,1]=4 44 B10R0.4 OCCCCCCCC(=O)O 1P005Y9C [2,0,0,0,0,0|1,0,1]=4 45 B10R0.74 CCCCCCCC(=O)CC 1P003JTK [2,0,0,0,0,0|1,0,1]=4 46 B10R0.74 O=CCCCCCC(=O)OC 1P00382B [2,0,0,0,0,0|1,0,0]=3 47 B10R0.74 OCCCCCCC(=O)OC 1P019FHS [2,0,0,0,0,0|1,0,1]=4 48 B10R0.97 CC(=O)CCCCCC(=O)O 1P001GFO [2,0,0,0,0,0|0,0,0]=2 49 B10R0.97 CC(=O)NCCOCC(=O)O 1P01A57W [2,0,0,0,0,0|2,0,0]=4 50 B10R0.97 CC(CCCCCC(=O)O)C 1P003879 [2,0,0,0,0,0|1,0,1]=4 51 B10R0.97 CC(CCCCCC(=O)O)O 1P00B3V8 [2,0,0,0,0,0|0,0,2]=4 52 B10R0.97 CN(CCCCCC(=O)O)C 1P01EKMD [2,0,0,0,0,0|2,0,0]=4 53 B10R0.97 OC(=O)CCCCCC(=O)O 1P003U91 [2,0,0,0,0,0|1,0,0]=3 54 B10R0.97 OC(=O)CCCCN=C(N)N 1P00DSUH [2,0,0,0,0,0|2,0,0]=4 55 B10R0.97 OC(=O)CCCCNC(=O)C 1P01FZPA [2,0,0,0,0,0|1,0,0]=3 56 B10R0.97 OC(=O)CCCCNC(=O)N 1P007CSH [2,0,0,0,0,0|1,0,0]=3 57 B10R0.97 OC(=O)CCNCCC(=O)O 1P006YC7 [2,0,0,0,0,0|2,0,0]=4 58 B10R0.97 OC(=O)CCOCCC(=O)O 1P00IB1H [2,0,0,0,0,0|2,0,0]=4 59 B10R0.97 OC(=O)CCSCCC(=O)O 1P0033YJ [2,0,0,0,0,0|2,0,0]=4 60 B10R0.97 OC(=O)CCSCNC(=O)C 1P003O5D [2,0,0,0,0,0|2,0,0]=4 61 B12R0.137 OC(=O)CCCCCNC(C)(C)C 1P01ADEV [1,1,0,0,0,0|2,0,0]=4 62 B12R0.184 CCC(CCCCCCC(=O)O)C 1P00DA2C [1,1,0,0,0,0|1,0,1]=4 63 B12R0.183 COC(=O)CCCCCC(=O)OC 1P001Z67 [1,1,0,0,0,0|1,0,0]=3 64 B12R0.183 COC(=O)CCCSCC(=O)OC 1P01AK4B [1,1,0,0,0,0|2,0,0]=4 65 B12R0.183 COC(=O)CCSCCC(=O)OC 1P003Q1Y [1,1,0,0,0,0|2,0,0]=4 66 B12R0.183 NNC(=O)CCCCCC(=O)NN 1P000UVR [1,1,0,0,0,0|2,0,0]=4 67 B12R0.277 CCOC(=O)CCCCCC(=O)C 1P00CZHD [1,1,0,0,0,0|1,0,0]=3 68 B12R0.277 CCOC(=O)CCCCCC(=O)Cl 1P001FSD [1,1,0,0,0,0|1,0,0]=3 69 B12R0.277 CCOC(=O)CCCCCC(=O)O 1P00350L [1,1,0,0,0,0|0,0,0]=2 70 B12R0.269 O=C(C(C)(C)C)NCCCC(=O)O 1P00FCKF [0,1,0,0,1,0|2,0,0]=4 71 B12R0.269 O=C(C(C)(C)C)OCCCC(=O)O 1P027V5O [0,1,0,0,1,0|2,0,0]=4 72 B12R0.687 CC(CC(=O)O)CCC(=O)C(C)C 1P01GKAU [0,1,0,0,1,0|1,0,0]=3 73 B14R0.2683 O=C(OC(C)(C)C)CCOCCC(=O)O 1P019ERV [0,1,0,0,0,1|2,0,0]=4 74 B14R0.2683 O=C(OC(C)(C)C)NCCCCC(=O)O 1P00350B [0,1,0,0,0,1|2,0,0]=4 75 B14R0.2683 OC(=O)CCCCCC(=O)OC(C)(C)C 1P01JVZD [0,1,0,0,0,1|1,0,0]=3 76 B12R1.105 NC1CCC(C1)CCCC(=O)O 1P02837D [1,0,0,1,0,0|0,0,1]=3 77 B12R1.105 N[C@@H]1CC[C@@H](C1)OCCC(=O)O 1P0284RR [1,0,0,1,0,0|1,0,1]=4 78 B12R1.226 NC1CCCC(C1)CCC(=O)O 1P028VX3 [1,0,0,1,0,0|0,0,1]=3 79 B12R1.226 NC1CCCN(C1)CCC(=O)O 1P0285WL [1,0,0,1,0,0|1,0,1]=4 80 B12R1.226 OC1CCCC(C1)CCC(=O)O 1P0291FT [1,0,0,1,0,0|1,0,1]=4 81 B12R1.226 O[C@@H]1CCC[C@@H](C1)CCC(=O)O 1P028ETC [1,0,0,1,0,0|1,0,1]=4 82 B12R1.261 CC(N1CCCCC1C(=O)O)C 1P01AITB [1,0,0,1,0,0|2,0,0]=4 83 B12R1.261 CC(N1CCCC[C@H]1C(=O)O)C 1P000B6T [1,0,0,1,0,0|2,0,0]=4 84 B12R1.391 OC(=O)CC1CCCCC1(C)C 1P01A2PH [1,0,0,1,0,0|1,0,1]=4 85 B12R1.392 OC(=O)CC1CCCN1C(C)C 1P01A233 [1,0,0,1,0,0|2,0,0]=4 86 B12R1.124 O=C1CCCCC1C(=O)C(C)C 1P0033TZ [1,0,0,1,0,0|1,0,0]=3 87 B12R1.21 CN1CCC(CC1)CCC(=O)O 1P00J20M [1,0,0,1,0,0|2,0,0]=4 88 B12R1.21 O=C1CCC(CC1)CNC(=O)C 1P01B5SP [1,0,0,1,0,0|2,0,0]=4 89 B12R1.21 OC(=O)CCC1CCC(=O)CC1 1P00I99Z [1,0,0,1,0,0|0,0,0]=2 90 B12R1.21 OC(=O)CCC1CCC(=O)NC1 1P000GAO [1,0,0,1,0,0|1,0,0]=3 91 B12R1.21 OC1CCC(CC1)CCC(=O)O 1P023SEB [1,0,0,1,0,0|0,0,2]=4 92 B12R1.21 O[C@@H]1CC[C@@H](CC1)CCC(=O)O 1P028AD3 [1,0,0,1,0,0|0,0,2]=4 93 B12R1.26 COC(=O)CCC1CCC(=O)C1 1P007G82 [1,0,0,1,0,0|2,0,0]=4 94 B12R1.50 COC(=O)CC1CCCC(=O)C1 1P00I5QP [1,0,0,1,0,0|2,0,0]=4 95 B12R1.50 COC(=O)CC1CCCC(=O)N1 1P028FB9 [1,0,0,1,0,0|2,0,0]=4 96 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)O 1P00J36T [1,0,0,1,0,0|1,0,0]=3 97 B12R1.368 CCC(=O)N1CSCC1C(=O)O 1P01AATG [1,0,0,1,0,0|2,0,0]=4 98 B12R1.368 COC(=O)C1CCCC1C(=O)O 1P01A5L9 [1,0,0,1,0,0|1,0,0]=3 99 B12R1.368 COC(=O)C1CCOC1C(=O)O 1P01B6OV [1,0,0,1,0,0|2,0,0]=4 100 B12R1.368 COC(=O)N1CCCC1C(=O)O 1P007MWJ [1,0,0,1,0,0|2,0,0]=4 101 B12R1.368 COC(=O)[C@@H]1CCC[C@H]1C(=O)O 1P008XCC [1,0,0,1,0,0|1,0,0]=3 102 B12R1.368 COC(=O)[C@@H]1COC[C@H]1C(=O)O 1P02846T [1,0,0,1,0,0|2,0,0]=4 103 B12R1.368 COC(=O)[C@H]1CCC[C@H]1C(=O)O 1P006HKD [1,0,0,1,0,0|1,0,0]=3 104 B12R1.368 ClCC(=O)N1CCCC1C(=O)O 1P00BJFO [1,0,0,1,0,0|2,0,0]=4 105 B12R1.368 NCC(=O)N1CCC[C@H]1C(=O)O 1P003R9M [1,0,0,1,0,0|1,0,0]=3 106 B12R1.368 NCC(=O)N1CCC[C@H]1C(=O)O 1P027ST4 [1,0,0,1,0,0|1,0,0]=3 107 B12R1.1020 CN1CCCC(CC1)CC(=O)O 1P028OFT [1,0,0,1,0,0|2,0,0]=4 108 B12R1.1708 COC(=O)[C@@H]1CC[C@@H]1CC(=O)O 1P027W8T [1,0,0,1,0,0|1,0,0]=3 109 B12R1.1708 COC(=O)[C@@H]1CC[C@H]1CC(=O)O 1P027WU9 [1,0,0,1,0,0|1,0,0]=3 110 B12R1.1356 O=C(C1CC1)NCCCC(=O)O 1P019N5P [0,0,0,1,1,0|2,0,0]=4 111 B14R1.4280 CC(OC(=O)N1CCCC1C(=O)O)C 1P028R4S [0,0,0,1,0,1|2,0,0]=4 112 B14R1.429 OC(=O)C1CCCCN1C(=O)C(C)C 1P00HC5Z [0,0,0,1,0,1|1,0,0]=3 113 B14R1.6420 OC(=O)C1CCCN(C1)C(=O)C(C)C 1P00J9QZ [0,1,0,1,0,0|2,0,0]=4 114 B14R1.6420 OC(=O)C1CCCN(C1)C(=O)C(N)C 1P01EM2R [0,1,0,1,0,0|1,0,0]=3 115 B14R1.1004 SC[C@H](C(=O)N1CCC[C@H]1C(=O)O)C 1P003P5P [0,1,0,1,0,0|2,0,0]=4 116 B14R1.6442 OC(=O)C1CCCN1C(=O)C(C)(C)C 1P019LS6 [0,1,0,1,0,0|2,0,0]=4 117 B14R2.9562 OC(=O)[C@@H]1CCCN1C(=O)C2CC2 1P00J9R1 [0,0,0,2,0,0|2,0,0]=4 118 B10R0.55 CCC(CCCCC(=O)O)C 1P00DA2H [1,0,0,0,1,0|1,0,1]=4 119 B10R0.55 CCC(CCCCC(=O)O)N 1P028DYY [1,0,0,0,1,0|1,0,1]=4 120 B10R0.55 CNC(=O)CCCCC(=O)O 1P01AG3I [1,0,0,0,1,0|1,0,0]=3 121 B10R0.55 COC(=O)CCCCC(=O)C 1P002A2A [1,0,0,0,1,0|2,0,0]=4 122 B10R0.55 COC(=O)CCCCC(=O)Cl 1P003SFT [1,0,0,0,1,0|2,0,0]=4 123 B10R0.55 COC(=O)CCCCC(=O)O 1P0034TY [1,0,0,0,1,0|1,0,0]=3 124 B10R0.55 COC(=O)NCCCC(=O)O 1P01ABX7 [1,0,0,0,1,0|2,0,0]=4 125 B10R0.55 NCC(=O)CCCCC(=O)O 1P028JNS [1,0,0,0,1,0|0,0,0]=2 126 B10R0.55 NCC(=O)NCCCC(=O)O 1P003R98 [1,0,0,0,1,0|1,0,0]=3 127 B10R0.55 OC(=O)CCCNC(=O)CCl 1P01ADP5 [1,0,0,0,1,0|2,0,0]=4 128 B10R0.98 CC(C(=O)NCCC(=O)O)C 1P019LX5 [0,0,0,0,2,0|2,0,0]=4 129 B10R0.98 OC(=O)CCCC(=O)N(C)C 1P00IY1H [0,0,0,0,2,0|2,0,0]=4 130 B10R0.98 OC(=O)CCCC(=O)N(O)C 1P0281BM [0,0,0,0,2,0|2,0,0]=4