0 B12R0.234 CC(=O)NCCCCCCCCO WXVL_AK4142SB0150 [0,0,0,0,0,0|3,0,1]=4 1 B12R0.234 CC(=O)NCCCCCCCCO WXVL_AK4142SB0150 [0,0,0,0,0,0|3,0,1]=4 2 B12R0.234 CCCCCCCCCCC(=O)N WXVL_AK0084SB0490 [0,0,0,0,0,0|1,0,2]=3 3 B12R0.234 CCCCCCCCCCC(=O)N WXVL_AK0084SB0490 [0,0,0,0,0,0|1,0,2]=3 4 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [0,0,0,0,0,0|2,0,1]=3 5 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [0,0,0,0,0,0|2,0,1]=3 6 B11R0.148 CCCCCCCCCC(=O)N WXVL_AK0084SB0447 [1,0,0,0,0,0|1,0,1]=3 7 B11R0.148 CCCCCCCCCC(=O)N WXVL_AK0084SB0447 [1,0,0,0,0,0|1,0,1]=3 8 B11R0.148 CCCCCCCCNC(=O)C WXVL_AK1818SB0150 [1,0,0,0,0,0|2,0,0]=3 9 B11R0.148 CCCCCCCCNC(=O)C WXVL_AK1818SB0150 [1,0,0,0,0,0|2,0,0]=3 10 B11R0.148 CCCCOCCCNC(=O)C WXVL_AK2310SB0150 [1,0,0,0,0,0|3,0,0]=4 11 B11R0.148 CCCCOCCCNC(=O)C WXVL_AK2310SB0150 [1,0,0,0,0,0|3,0,0]=4 12 B13R0.54 CCCCCCCCCCCC(=O)N WXVL_AK0084SB2796 [0,1,0,0,0,0|1,0,2]=4 13 B13R0.54 CCCCCCCCCCCC(=O)N WXVL_AK0084SB2796 [0,1,0,0,0,0|1,0,2]=4 14 B13R0.54 CCCCCCCCCCNC(=O)C WXVL_AK1845SB0150 [0,1,0,0,0,0|1,0,2]=4 15 B13R0.54 CCCCCCCCCCNC(=O)C WXVL_AK1845SB0150 [0,1,0,0,0,0|1,0,2]=4 16 B13R0.147 C#CC(=O)NCCCCCCCCC WXVL_AK1826SB0338 [0,1,0,0,0,0|2,0,1]=4 17 B13R0.147 C#CC(=O)NCCCCCCCCC WXVL_AK1826SB0338 [0,1,0,0,0,0|2,0,1]=4 18 B13R0.147 CCCCCCCCCCC(=O)NC WXVL_AK00442SB0490 [0,1,0,0,0,0|1,0,2]=4 19 B13R0.147 CCCCCCCCCCC(=O)NC WXVL_AK00442SB0490 [0,1,0,0,0,0|1,0,2]=4 20 B13R0.147 CCCCCCCCCNC(=O)CC WXVL_AK1826SB0064 [0,1,0,0,0,0|2,0,1]=4 21 B13R0.147 CCCCCCCCCNC(=O)CC WXVL_AK1826SB0064 [0,1,0,0,0,0|2,0,1]=4 22 B13R0.147 CCCCCCCCCNC(=O)CO WXVL_AK1826SB2706 [0,1,0,0,0,0|1,0,1]=3 23 B13R0.147 CCCCCCCCCNC(=O)CO WXVL_AK1826SB2706 [0,1,0,0,0,0|1,0,1]=3 24 B13R0.147 O=C(CO)NCCCCCCCCO WXVL_AK4142SB2706 [0,1,0,0,0,0|2,0,1]=4 25 B13R0.147 O=C(CO)NCCCCCCCCO WXVL_AK4142SB2706 [0,1,0,0,0,0|2,0,1]=4 26 B13R0.150 C=C(F)C(=O)NCCCCCCCC WXVL_AK1818SB1376 [0,1,0,0,0,0|3,0,0]=4 27 B13R0.150 C=C(F)C(=O)NCCCCCCCC WXVL_AK1818SB1376 [0,1,0,0,0,0|3,0,0]=4 28 B13R0.150 CCCCCCCCNC(=O)C(=O)C WXVL_AK1818SB0051 [0,1,0,0,0,0|2,0,0]=3 29 B13R0.150 CCCCCCCCNC(=O)C(=O)C WXVL_AK1818SB0051 [0,1,0,0,0,0|2,0,0]=3 30 B13R0.150 CCCCCCCCNC(=O)C(=O)N WXVL_AK1818SB0128 [0,1,0,0,0,0|2,0,0]=3 31 B13R0.150 CCCCCCCCNC(=O)C(=O)N WXVL_AK1818SB0128 [0,1,0,0,0,0|2,0,0]=3 32 B13R0.150 CCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1818SB1085 [0,1,0,0,0,0|2,0,1]=4 33 B13R0.150 CCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1818SB1085 [0,1,0,0,0,0|2,0,1]=4 34 B13R0.150 CCCCOCCCNC(=O)C(=O)C WXVL_AK2310SB0051 [0,1,0,0,0,0|3,0,0]=4 35 B13R0.150 CCCCOCCCNC(=O)C(=O)C WXVL_AK2310SB0051 [0,1,0,0,0,0|3,0,0]=4 36 B13R0.150 CCCCOCCCNC(=O)C(=O)N WXVL_AK2310SB0128 [0,1,0,0,0,0|3,0,0]=4 37 B13R0.150 CCCCOCCCNC(=O)C(=O)N WXVL_AK2310SB0128 [0,1,0,0,0,0|3,0,0]=4 38 B13R1.337 CC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0150 [0,0,0,1,0,0|2,0,1]=4 39 B13R1.337 CC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0150 [0,0,0,1,0,0|2,0,1]=4 40 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [2,0,0,0,0,0|1,0,0]=3 41 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [2,0,0,0,0,0|1,0,0]=3 42 B10R0.4 NC(=O)CCCCCCCBr WXVL_AK0084SB0559 [2,0,0,0,0,0|2,0,0]=4 43 B10R0.4 NC(=O)CCCCCCCBr WXVL_AK0084SB0559 [2,0,0,0,0,0|2,0,0]=4 44 B10R0.4 NC(=O)CCCCCCCO WXVL_AK0084SB1306 [2,0,0,0,0,0|2,0,0]=4 45 B10R0.4 NC(=O)CCCCCCCO WXVL_AK0084SB1306 [2,0,0,0,0,0|2,0,0]=4 46 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [1,1,0,0,0,0|1,0,1]=4 47 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [1,1,0,0,0,0|1,0,1]=4 48 B12R0.4 CCCCCCCC(O)CC(=O)N WXVL_AK0084SB4065 [1,1,0,0,0,0|1,0,1]=4 49 B12R0.4 CCCCCCCC(O)CC(=O)N WXVL_AK0084SB4065 [1,1,0,0,0,0|1,0,1]=4 50 B14R0.337 CCCCCCCCCCNC(=O)CO WXVL_AK1845SB2706 [0,2,0,0,0,0|0,0,2]=4 51 B14R0.337 CCCCCCCCCCNC(=O)CO WXVL_AK1845SB2706 [0,2,0,0,0,0|0,0,2]=4 52 B14R0.340 CC(=O)C(=O)NCCCCCCCCO WXVL_AK4142SB0051 [0,2,0,0,0,0|2,0,0]=4 53 B14R0.340 CC(=O)C(=O)NCCCCCCCCO WXVL_AK4142SB0051 [0,2,0,0,0,0|2,0,0]=4 54 B14R0.340 CCCCCCCCCNC(=O)C(=O)C WXVL_AK1826SB0051 [0,2,0,0,0,0|1,0,1]=4 55 B14R0.340 CCCCCCCCCNC(=O)C(=O)C WXVL_AK1826SB0051 [0,2,0,0,0,0|1,0,1]=4 56 B14R0.340 CCCCCCCCCNC(=O)C(=O)N WXVL_AK1826SB0128 [0,2,0,0,0,0|1,0,1]=4 57 B14R0.340 CCCCCCCCCNC(=O)C(=O)N WXVL_AK1826SB0128 [0,2,0,0,0,0|1,0,1]=4 58 B14R0.340 CCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1826SB1085 [0,2,0,0,0,0|1,0,1]=4 59 B14R0.340 CCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1826SB1085 [0,2,0,0,0,0|1,0,1]=4 60 B14R0.340 NC(=O)C(=O)NCCCCCCCCO WXVL_AK4142SB0128 [0,2,0,0,0,0|2,0,0]=4 61 B14R0.340 NC(=O)C(=O)NCCCCCCCCO WXVL_AK4142SB0128 [0,2,0,0,0,0|2,0,0]=4 62 B14R0.344 CCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0409 [0,2,0,0,0,0|1,0,1]=4 63 B14R0.344 CCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0409 [0,2,0,0,0,0|1,0,1]=4 64 B14R0.391 CCCCCCCCNC(=O)C=C(C)C WXVL_AK1818SB0342 [0,2,0,0,0,0|2,0,0]=4 65 B14R0.391 CCCCCCCCNC(=O)C=C(C)C WXVL_AK1818SB0342 [0,2,0,0,0,0|2,0,0]=4 66 B14R0.181 CCCCCCCCNC(=O)C(=O)CC WXVL_AK1818SB0344 [0,2,0,0,0,0|2,0,0]=4 67 B14R0.181 CCCCCCCCNC(=O)C(=O)CC WXVL_AK1818SB0344 [0,2,0,0,0,0|2,0,0]=4 68 B14R0.393 CCCCCCCCCNC(=O)COC WXVL_AK1826SB0090 [0,2,0,0,0,0|1,0,1]=4 69 B14R0.393 CCCCCCCCCNC(=O)COC WXVL_AK1826SB0090 [0,2,0,0,0,0|1,0,1]=4 70 B14R0.92 CCCCCCNC(=O)/C=C(/C)\C(=O)O WXVL_AK0286SB2187 [0,2,0,0,0,0|1,0,1]=4 71 B14R0.92 CCCCCCNC(=O)/C=C(/C)\C(=O)O WXVL_AK0286SB2187 [0,2,0,0,0,0|1,0,1]=4 72 B12R1.252 CC(=O)NCCC1CCCCC1 WXVL_AK1287SB0150 [1,0,0,1,0,0|2,0,0]=4 73 B12R1.252 CC(=O)NCCC1CCCCC1 WXVL_AK1287SB0150 [1,0,0,1,0,0|2,0,0]=4 74 B12R1.386 CCCCC1CCCN1C(=O)C WXVL_AN00739SB0150 [1,0,0,1,0,0|2,0,0]=4 75 B14R1.716 O=C(CO)NCCCC1CCCCC1 WXVL_AK4112SB2706 [0,1,0,1,0,0|1,0,1]=4 76 B14R1.716 O=C(CO)NCCCC1CCCCC1 WXVL_AK4112SB2706 [0,1,0,1,0,0|1,0,1]=4 77 B14R1.798 CCCCC1CCCN1C(=O)C(=O)C WXVL_AN00739SB0051 [0,1,0,1,0,0|2,0,0]=4 78 B14R1.798 CCCCC1CCCN1C(=O)C(=O)N WXVL_AN00739SB0128 [0,1,0,1,0,0|2,0,0]=4 79 B14R1.6449 CC(=O)C(=O)NCCC1CCCCC1 WXVL_AK1287SB0051 [0,1,0,1,0,0|2,0,0]=4 80 B14R1.6449 CC(=O)C(=O)NCCC1CCCCC1 WXVL_AK1287SB0051 [0,1,0,1,0,0|2,0,0]=4 81 B14R1.6449 NC(=O)C(=O)NCCC1CCCCC1 WXVL_AK1287SB0128 [0,1,0,1,0,0|2,0,0]=4 82 B14R1.6449 NC(=O)C(=O)NCCC1CCCCC1 WXVL_AK1287SB0128 [0,1,0,1,0,0|2,0,0]=4