0 B16R0.68 C#CCCCCCCCCC(=O)NCCCC MCULE-8918849625 [0,0,0,0,0,0|1,0,2]=3 1 B16R0.68 C=CCCCCCCCCC(=O)OCCCC MCULE-9927769469 [0,0,0,0,0,0|0,0,0]=0 2 B16R0.68 CCCCCCCCCCC(=O)CCCCC MCULE-2586042013 [0,0,0,0,0,0|1,0,2]=3 3 B16R0.68 CCCCCCCCSCC(=O)NCCCC MCULE-8746851490 [0,0,0,0,0,0|2,0,2]=4 4 B15R0.70 C=CCCCCCCCCCCCCCBr MCULE-2396015907 [1,0,0,0,0,0|2,0,1]=4 5 B15R0.70 C=CCCCCCCCCCCCCCC MCULE-4969847612 [1,0,0,0,0,0|1,0,1]=3 6 B15R0.70 C=CCCCCCCCCCCCCCO MCULE-1065498044 [1,0,0,0,0,0|2,0,1]=4 7 B15R0.70 CCCCCCCCCCCCCCC=O MCULE-3290991576 [1,0,0,0,0,0|2,0,1]=4 8 B15R0.322 CCCCCCCCCC(=O)OCCCC MCULE-6539746773 [1,0,0,0,0,0|0,0,1]=2 9 B15R0.2002 C=CCCCCCCCCC(=O)NCCO MCULE-5146179123 [1,0,0,0,0,0|2,0,0]=3 10 B17R0.38 C=CCCCCCCCCC(=O)NCCC(C)C MCULE-3740310685 [0,1,0,0,0,0|1,0,0]=2 11 B17R0.3110 CCCCCCCCCCCC(=O)CCCCC MCULE-9985880273 [0,1,0,0,0,0|1,0,2]=4 12 B17R0.3110 CCCCCCCCCCCC(=O)OCCCC MCULE-4462350535 [0,1,0,0,0,0|0,0,2]=3 13 B17R0.12412 CCCCCCCCCCC(=O)CCCCCC MCULE-4186355761 [0,1,0,0,0,0|1,0,2]=4 14 B17R0.12415 CCCCCCCCCCC(=O)OCC(O)CO MCULE-3422039123 [0,1,0,0,0,0|1,0,2]=4 15 B17R0.12415 CCCCCCCCCCC(=O)OCC(O)CO MCULE-9019046315 [0,1,0,0,0,0|1,0,2]=4 16 B17R1.3409 CCCCOC(=O)CCCCCCCC1CO1 MCULE-2955436845 [0,0,0,1,0,0|1,0,1]=3 17 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 MCULE-2237516421 [0,0,0,1,0,0|0,0,2]=3 18 B14R0.392 C(=CCCCCCCCCO)CCCC MCULE-7344947468 [2,0,0,0,0,0|2,0,0]=4 19 B14R0.392 C=CCCCCCCCC#CCCCC MCULE-2827748131 [2,0,0,0,0,0|0,0,2]=4 20 B14R0.392 C=CCCCCCCCCCCCCBr MCULE-4861537594 [2,0,0,0,0,0|1,0,1]=4 21 B14R0.392 C=CCCCCCCCCCCCCC MCULE-8648825393 [2,0,0,0,0,0|0,0,1]=3 22 B14R0.392 C=CCCCCCCCCCCCCO MCULE-4486162306 [2,0,0,0,0,0|1,0,1]=4 23 B14R0.392 C=COCCCCCCCCCCCC MCULE-1459857080 [2,0,0,0,0,0|1,0,1]=4 24 B14R0.392 CCCC/C=C\CCCCCCCCO MCULE-2201463992 [2,0,0,0,0,0|2,0,0]=4 25 B14R0.392 CCCCCCCCCCCCCC=O MCULE-7550121675 [2,0,0,0,0,0|1,0,1]=4 26 B14R0.179 CCCCCCCCC(=O)NCCCO MCULE-4378279550 [2,0,0,0,0,0|2,0,0]=4 27 B14R0.179 CCCCCCCOC(=O)CCCCC MCULE-2442042167 [2,0,0,0,0,0|2,0,0]=4 28 B14R0.493 CCCCCCCCCC(=O)OCCC MCULE-2561376129 [2,0,0,0,0,0|0,0,1]=3 29 B14R0.493 CCCCCCCCCC(=O)OCCCl MCULE-3404862373 [2,0,0,0,0,0|1,0,1]=4 30 B14R0.493 CCCCCCCCCC(=O)OCCS MCULE-2142812663 [2,0,0,0,0,0|1,0,1]=4 31 B14R0.493 CCCCCCCCNC(=O)CCCC MCULE-8729299663 [2,0,0,0,0,0|1,0,1]=4 32 B14R0.393 C=CCCCCCCCCC(=O)OC=C MCULE-6691284845 [2,0,0,0,0,0|0,0,2]=4 33 B14R0.393 C=CCCCCCCCCC(=O)OCC MCULE-8561484163 [2,0,0,0,0,0|0,0,0]=2 34 B14R0.393 CCCCCCCCCCC(=O)OCC MCULE-7345568612 [2,0,0,0,0,0|0,0,2]=4 35 B14R0.393 CCOC(=O)CCCCCCCCC=O MCULE-1701011376 [2,0,0,0,0,0|1,0,0]=3 36 B14R0.393 CCOC(=O)CCCCCCCCCBr MCULE-9108239972 [2,0,0,0,0,0|1,0,1]=4 37 B14R0.393 CCOC(=O)CCCCCCCCCO MCULE-7625421399 [2,0,0,0,0,0|1,0,1]=4 38 B16R0.61 C=CCC(C)CCCCCCCCCCCC MCULE-1583125717 [1,1,0,0,0,0|1,0,1]=4 39 B16R0.274 CCCCC=CCCCCCCCCC(=O)O MCULE-4211765208 [1,1,0,0,0,0|2,0,0]=4 40 B16R0.303 C=CCCCCCCCCCCCCCCBr MCULE-4098921493 [1,1,0,0,0,0|1,0,1]=4 41 B16R0.303 C=CCCCCCCCCCCCCCCC MCULE-3016072683 [1,1,0,0,0,0|1,0,1]=4 42 B16R0.303 CCCC/C=C\CCCCCCCCCC=O MCULE-7543337765 [1,1,0,0,0,0|1,0,1]=4 43 B16R0.303 CCCCC/C=C/CCCCCCCCC=O MCULE-7710373986 [1,1,0,0,0,0|2,0,0]=4 44 B16R0.303 CCCCC=CCCCCCCCCCC=O MCULE-5668746450 [1,1,0,0,0,0|1,0,1]=4 45 B16R0.303 CCCCCC=CCCCCCCCCC=O MCULE-6918532041 [1,1,0,0,0,0|2,0,0]=4 46 B16R0.297 CCCCCCCCCC(=O)OCCC(C)C MCULE-4191771315 [1,1,0,0,0,0|0,0,1]=3 47 B16R0.1469 CCCCCC(=O)CCCCCCCC(=O)O MCULE-6359730553 [1,1,0,0,0,0|2,0,0]=4 48 B16R0.6606 CCCCCCCCCC(=O)OCC(O)CO MCULE-1466836615 [1,1,0,0,0,0|1,0,1]=4 49 B16R0.6606 CCCCCCCCCC(=O)OCC(O)CO MCULE-9612480817 [1,1,0,0,0,0|1,0,1]=4 50 B16R0.6607 CCCCCCCCCC(=O)C(C)CCCC MCULE-2041475625 [1,1,0,0,0,0|1,0,1]=4 51 B16R0.131 CCCCC(=O)CCCCCCCCC(=O)O MCULE-7754358047 [1,1,0,0,0,0|1,0,0]=3 52 B18R0.233 CCCCCCCCCCCC(=O)OCCC(C)C MCULE-5663210635 [0,2,0,0,0,0|0,0,2]=4 53 B18R0.127 CCCCCCC(=O)CCCCCCCCC(=O)O MCULE-2041137649 [0,2,0,0,0,0|2,0,0]=4 54 B18R0.3137 CCCCCC(=O)CCCCCCCCCC(=O)O MCULE-9840407759 [0,2,0,0,0,0|1,0,1]=4 55 B18R0.7792 CCCCCCCCCCCC(=O)OCCCCC MCULE-7976693067 [0,2,0,0,0,0|0,0,2]=4 56 B16R1.11022 O=C1CCCCCCCCC(=O)OCCO1 MCULE-5372309426 [1,0,0,1,0,0|2,0,0]=4 57 B18R1.156483 O=C1CCCCCCCCC(=O)OCCCCO1 MCULE-8772814596 [0,1,0,1,0,0|1,0,0]=3 58 B18R1.1843 CC1CCCCCCCCCCCCCOC1=O MCULE-8629194941 [0,1,0,1,0,0|0,0,2]=4 59 B18R1.13791 O=C1CCCCCCCC=CCCCCCCO1 MCULE-4229154614 [0,1,0,1,0,0|0,0,2]=4 60 B18R1.13791 O=C1CCCCCCCCCCCCCCCO1 MCULE-4312908702 [0,1,0,1,0,0|0,0,2]=4 61 B18R1.13791 O=C1CCCCCCCCCCOCCCCO1 MCULE-7856753337 [0,1,0,1,0,0|0,0,2]=4 62 B18R1.13791 O=C1CCCCCCCCCOCCCCCO1 MCULE-8174650004 [0,1,0,1,0,0|0,0,2]=4 63 B18R1.101472 O=C1CCCCCCCCCCC(CCCO1)O MCULE-8958889325 [0,1,0,1,0,0|0,0,2]=4 64 B18R1.156488 CC1COC(=O)CCCCCCCCC(=O)OC1 MCULE-5686074246 [0,1,0,1,0,0|2,0,0]=4