0 B13R0.147 C=CCCCCCCCCC(=O)NC WXVL_AK00442SB0481 [0,0,0,0,0,0|1,0,0]=1 1 B13R0.147 C=CCCCCCCCCC(=O)NC WXVL_AK00442SB0481 [0,0,0,0,0,0|1,0,0]=1 2 B13R0.147 CCC(=O)NCCCCCCCCO WXVL_AK4142SB0064 [0,0,0,0,0,0|3,0,1]=4 3 B13R0.147 CCC(=O)NCCCCCCCCO WXVL_AK4142SB0064 [0,0,0,0,0,0|3,0,1]=4 4 B13R0.147 CCCCCCCCCCC(=O)NC WXVL_AK00442SB0490 [0,0,0,0,0,0|1,0,2]=3 5 B13R0.147 CCCCCCCCCCC(=O)NC WXVL_AK00442SB0490 [0,0,0,0,0,0|1,0,2]=3 6 B13R0.147 CCCCCCCCCNC(=O)CC WXVL_AK1826SB0064 [0,0,0,0,0,0|2,0,2]=4 7 B13R0.147 CCCCCCCCCNC(=O)CC WXVL_AK1826SB0064 [0,0,0,0,0,0|2,0,2]=4 8 B12R0.234 C=CCCCCCCCCC(=O)N WXVL_AK0084SB0481 [1,0,0,0,0,0|1,0,0]=2 9 B12R0.234 C=CCCCCCCCCC(=O)N WXVL_AK0084SB0481 [1,0,0,0,0,0|1,0,0]=2 10 B12R0.234 CC(=O)NCCCCCCCCO WXVL_AK4142SB0150 [1,0,0,0,0,0|2,0,1]=4 11 B12R0.234 CC(=O)NCCCCCCCCO WXVL_AK4142SB0150 [1,0,0,0,0,0|2,0,1]=4 12 B12R0.234 CCCCCCCCCCC(=O)N WXVL_AK0084SB0490 [1,0,0,0,0,0|1,0,2]=4 13 B12R0.234 CCCCCCCCCCC(=O)N WXVL_AK0084SB0490 [1,0,0,0,0,0|1,0,2]=4 14 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [1,0,0,0,0,0|1,0,2]=4 15 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [1,0,0,0,0,0|1,0,2]=4 16 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [1,0,0,0,0,0|1,0,1]=3 17 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [1,0,0,0,0,0|1,0,1]=3 18 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [1,0,0,0,0,0|2,0,1]=4 19 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [1,0,0,0,0,0|2,0,1]=4 20 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [1,0,0,0,0,0|2,0,1]=4 21 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [1,0,0,0,0,0|2,0,1]=4 22 B14R0.32 C=CCC(=O)NCCCCCC(=O)OC WXVL_AK00438SB2732 [0,1,0,0,0,0|1,0,1]=3 23 B14R0.32 C=CCC(=O)NCCCCCC(=O)OC WXVL_AK00438SB2732 [0,1,0,0,0,0|1,0,1]=3 24 B14R0.140 C=COCCCNC(=O)CCC(=O)OC WXVL_AK7221SB0069 [0,1,0,0,0,0|2,0,1]=4 25 B14R0.140 C=COCCCNC(=O)CCC(=O)OC WXVL_AK7221SB0069 [0,1,0,0,0,0|2,0,1]=4 26 B14R0.226 C=CCCCC(=O)NCCCC(=O)OC WXVL_AK00444SB2920 [0,1,0,0,0,0|1,0,1]=3 27 B14R0.226 C=CCCCC(=O)NCCCC(=O)OC WXVL_AK00444SB2920 [0,1,0,0,0,0|1,0,1]=3 28 B14R0.226 C=CCCNC(=O)CCCCC(=O)OC WXVL_AK00138SB1209 [0,1,0,0,0,0|1,0,1]=3 29 B14R0.226 C=CCCNC(=O)CCCCC(=O)OC WXVL_AK00138SB1209 [0,1,0,0,0,0|1,0,1]=3 30 B14R0.337 CCCCCCCCCCCC(=O)NC WXVL_AK00442SB2796 [0,1,0,0,0,0|1,0,2]=4 31 B14R0.337 CCCCCCCCCCCC(=O)NC WXVL_AK00442SB2796 [0,1,0,0,0,0|1,0,2]=4 32 B14R0.337 CCCCCCCCCCNC(=O)CC WXVL_AK1845SB0064 [0,1,0,0,0,0|1,0,2]=4 33 B14R0.337 CCCCCCCCCCNC(=O)CC WXVL_AK1845SB0064 [0,1,0,0,0,0|1,0,2]=4 34 B14R0.340 C=CCCCCCCCCC(=O)N(C)C WXVL_AN0032SB0481 [0,1,0,0,0,0|1,0,0]=2 35 B14R0.340 C=CCCCCCCCCC(=O)N(C)C WXVL_AN0032SB0481 [0,1,0,0,0,0|1,0,0]=2 36 B14R0.340 CCCCCCCCCCC(=O)N(C)C WXVL_AN0032SB0490 [0,1,0,0,0,0|1,0,2]=4 37 B14R0.340 CCCCCCCCCCC(=O)N(C)C WXVL_AN0032SB0490 [0,1,0,0,0,0|1,0,2]=4 38 B14R0.393 C=CCCCCCCCCC(=O)NCC WXVL_AK00476SB0481 [0,1,0,0,0,0|1,0,0]=2 39 B14R0.393 C=CCCCCCCCCC(=O)NCC WXVL_AK00476SB0481 [0,1,0,0,0,0|1,0,0]=2 40 B14R0.393 CCCCCCCCCCC(=O)NCC WXVL_AK00476SB0490 [0,1,0,0,0,0|1,0,2]=4 41 B14R0.393 CCCCCCCCCCC(=O)NCC WXVL_AK00476SB0490 [0,1,0,0,0,0|1,0,2]=4 42 B14R0.393 CCCCCCCCCNC(=O)COC WXVL_AK1826SB0090 [0,1,0,0,0,0|1,0,2]=4 43 B14R0.393 CCCCCCCCCNC(=O)COC WXVL_AK1826SB0090 [0,1,0,0,0,0|1,0,2]=4 44 B14R0.393 COCC(=O)NCCCCCCCCO WXVL_AK4142SB0090 [0,1,0,0,0,0|2,0,1]=4 45 B14R0.393 COCC(=O)NCCCCCCCCO WXVL_AK4142SB0090 [0,1,0,0,0,0|2,0,1]=4 46 B11R0.148 CCCCCCCCCC(=O)N WXVL_AK0084SB0447 [2,0,0,0,0,0|1,0,1]=4 47 B11R0.148 CCCCCCCCCC(=O)N WXVL_AK0084SB0447 [2,0,0,0,0,0|1,0,1]=4 48 B11R0.148 CCCCCCCCNC(=O)C WXVL_AK1818SB0150 [2,0,0,0,0,0|1,0,1]=4 49 B11R0.148 CCCCCCCCNC(=O)C WXVL_AK1818SB0150 [2,0,0,0,0,0|1,0,1]=4 50 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [2,0,0,0,0,0|1,0,0]=3 51 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [2,0,0,0,0,0|1,0,0]=3 52 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [2,0,0,0,0,0|2,0,0]=4 53 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [2,0,0,0,0,0|2,0,0]=4 54 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [2,0,0,0,0,0|2,0,0]=4 55 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [2,0,0,0,0,0|2,0,0]=4 56 B13R0.113 C=CCCC(=O)NCCCC(=O)OC WXVL_AK00444SB1035 [1,1,0,0,0,0|1,0,1]=4 57 B13R0.113 C=CCCC(=O)NCCCC(=O)OC WXVL_AK00444SB1035 [1,1,0,0,0,0|1,0,1]=4 58 B13R0.113 C=CCNC(=O)CCCCC(=O)OC WXVL_AK00561SB1209 [1,1,0,0,0,0|1,0,1]=4 59 B13R0.113 C=CCNC(=O)CCCCC(=O)OC WXVL_AK00561SB1209 [1,1,0,0,0,0|1,0,1]=4 60 B13R0.274 CCCCCCCC(O)CC(=O)NC WXVL_AK00442SB4065 [1,1,0,0,0,0|1,0,1]=4 61 B13R0.274 CCCCCCCC(O)CC(=O)NC WXVL_AK00442SB4065 [1,1,0,0,0,0|1,0,1]=4 62 B15R0.1957 C=CCCCCN(C)C(=O)CCC(=O)OC WXVL_AN4222SB0069 [0,2,0,0,0,0|1,0,1]=4 63 B15R0.1957 C=CCCCCN(C)C(=O)CCC(=O)OC WXVL_AN4222SB0069 [0,2,0,0,0,0|1,0,1]=4 64 B15R0.209 C=CCCC(=O)NCCCCCC(=O)OC WXVL_AK00438SB1035 [0,2,0,0,0,0|0,0,1]=3 65 B15R0.209 C=CCCC(=O)NCCCCCC(=O)OC WXVL_AK00438SB1035 [0,2,0,0,0,0|0,0,1]=3 66 B15R0.209 C=CCNC(=O)CCCCCCC(=O)OC WXVL_AK00561SB3124 [0,2,0,0,0,0|0,0,1]=3 67 B15R0.209 C=CCNC(=O)CCCCCCC(=O)OC WXVL_AK00561SB3124 [0,2,0,0,0,0|0,0,1]=3 68 B15R0.4331 C=CCS(=O)(=O)NCCCCCC(=O)OC WXVL_AK00438HU0152 [0,2,0,0,0,0|2,0,0]=4 69 B15R0.4331 C=CCS(=O)(=O)NCCCCCC(=O)OC WXVL_AK00438HU0152 [0,2,0,0,0,0|2,0,0]=4 70 B15R0.174 C=C(F)C(=O)NCCCCCCC(=O)OC WXVL_AK00211SB1376 [0,2,0,0,0,0|1,0,1]=4 71 B15R0.174 C=C(F)C(=O)NCCCCCCC(=O)OC WXVL_AK00211SB1376 [0,2,0,0,0,0|1,0,1]=4 72 B15R0.384 C/C=C/C(=O)NCCCCCCC(=O)OC WXVL_AK00211SB0340 [0,2,0,0,0,0|1,0,1]=4 73 B15R0.384 C/C=C/C(=O)NCCCCCCC(=O)OC WXVL_AK00211SB0340 [0,2,0,0,0,0|1,0,1]=4 74 B15R0.384 C=CCC(=O)NCCCCCCC(=O)OC WXVL_AK00211SB2732 [0,2,0,0,0,0|0,0,1]=3 75 B15R0.384 C=CCC(=O)NCCCCCCC(=O)OC WXVL_AK00211SB2732 [0,2,0,0,0,0|0,0,1]=3 76 B15R0.366 CCCCCCCCCCNC(=O)COC WXVL_AK1845SB0090 [0,2,0,0,0,0|0,0,2]=4 77 B15R0.366 CCCCCCCCCCNC(=O)COC WXVL_AK1845SB0090 [0,2,0,0,0,0|0,0,2]=4 78 B15R0.69 C=CCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0481 [0,2,0,0,0,0|1,0,0]=3 79 B15R0.69 C=CCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0481 [0,2,0,0,0,0|1,0,0]=3 80 B15R0.2002 C=CCCCCCCCCC(=O)NCC#N WXVL_AK0683SB0481 [0,2,0,0,0,0|1,0,0]=3 81 B15R0.2002 C=CCCCCCCCCC(=O)NCC#N WXVL_AK0683SB0481 [0,2,0,0,0,0|1,0,0]=3 82 B15R0.2002 C=CCCCCCCCCC(=O)NCC=C WXVL_AK00561SB0481 [0,2,0,0,0,0|1,0,0]=3 83 B15R0.2002 C=CCCCCCCCCC(=O)NCC=C WXVL_AK00561SB0481 [0,2,0,0,0,0|1,0,0]=3 84 B15R0.2002 C=CCCCCCCCCC(=O)NCCC WXVL_AK00504SB0481 [0,2,0,0,0,0|1,0,0]=3 85 B15R0.2002 C=CCCCCCCCCC(=O)NCCC WXVL_AK00504SB0481 [0,2,0,0,0,0|1,0,0]=3 86 B15R0.2002 C=CCCCCCCCCC(=O)NCCF WXVL_AK00466SB0481 [0,2,0,0,0,0|1,0,0]=3 87 B15R0.2002 C=CCCCCCCCCC(=O)NCCF WXVL_AK00466SB0481 [0,2,0,0,0,0|1,0,0]=3 88 B15R1.812 C=CCC(=O)N1CCCCC1C(=O)OC WXVL_AN0557SB2732 [0,1,0,1,0,0|1,0,1]=4 89 B15R1.821 C=CCC(=O)N1CCC[C@H]1CC(=O)OC WXVL_AN3568SB2732 [0,1,0,1,0,0|1,0,1]=4 90 B15R1.821 C=CCC(=O)N1CCC[C@H]1CC(=O)OC WXVL_AN3568SB2732 [0,1,0,1,0,0|1,0,1]=4