0 B23R0.47 CCCCCCCCCCCCCCOCCOCCOCCO MCULE-6619513772 [0,0,0,0,0,0|2,0,0]=2 1 B23R0.47 CCCCCCCCOCCOCCOCCOCCOCCO MCULE-5735371975 [0,0,0,0,0,0|0,0,0]=0 2 B23R0.47 N#N=NCCOCCOCCOCCOCCOCCOCCO MCULE-1703097422 [0,0,0,0,0,0|4,0,0]=4 3 B22R0.37843 CCCCCCCCCCNCCOCCOCCOCCO MCULE-6857767082 [1,0,0,0,0,0|1,0,0]=2 4 B22R0.37843 CCCCCCCCCCOCCOCCOCCOCCO MCULE-4951488511 [1,0,0,0,0,0|0,0,0]=1 5 B22R0.37843 CCCCCCCCCCSCCOCCOCCOCCO MCULE-5007656350 [1,0,0,0,0,0|0,1,0]=2 6 B22R0.37843 CCCCCCCCOCCNCCOCCCCCCCC MCULE-2077095058 [1,0,0,0,0,0|3,0,0]=4 7 B22R0.37843 CCCCCCCCOCCNCCOCCCCCCCC MCULE-4214788730 [1,0,0,0,0,0|3,0,0]=4 8 B22R0.37843 COCCOCCOCCOCCOCCOCCOCCBr MCULE-1508266473 [1,0,0,0,0,0|3,0,0]=4 9 B22R0.37843 COCCOCCOCCOCCOCCOCCOCCN MCULE-2605119833 [1,0,0,0,0,0|3,0,0]=4 10 B22R0.37843 COCCOCCOCCOCCOCCOCCOCCO MCULE-7648936146 [1,0,0,0,0,0|2,0,0]=3 11 B22R0.37843 COCCOCCOCCOCCOCCOCCOCCS MCULE-7445526359 [1,0,0,0,0,0|2,1,0]=4 12 B22R0.37843 NCCOCCOCCOCCOCCOCCCCCCCl MCULE-3026144110 [1,0,0,0,0,0|2,0,0]=3 13 B22R0.37843 NCCOCCOCCOCCOCCOCCCCCCCl MCULE-6053473190 [1,0,0,0,0,0|2,0,0]=3 14 B22R0.37843 OCCOCCOCCOCCOCCOCCCCCCCl MCULE-6064743027 [1,0,0,0,0,0|1,0,0]=2 15 B24R0.2855 BrCCOCCOCCOCCOCCOCCOCCOCCBr MCULE-8489626870 [0,1,0,0,0,0|3,0,0]=4 16 B24R0.2855 C#CCOCCOCCOCCOCCOCCOCCOCCO MCULE-3924050069 [0,1,0,0,0,0|1,0,2]=4 17 B24R0.2855 CCCCCCCCCCCCOCCOCCOCCOCCO MCULE-2882952206 [0,1,0,0,0,0|1,0,0]=2 18 B24R0.2855 CCCCCCNCCOCCOCCOCCNCCCCCC MCULE-4477716976 [0,1,0,0,0,0|3,0,0]=4 19 B24R0.2855 NCCOCCOCCOCCOCCOCCOCCOCCN MCULE-9303144295 [0,1,0,0,0,0|3,0,0]=4 20 B24R0.2855 NCCOCCOCCOCCOCCOCCOCCOCCO MCULE-9532769465 [0,1,0,0,0,0|2,0,0]=3 21 B24R0.2855 NCCOCCOCCOCCOCCOCCOCCOCCS MCULE-2332769400 [0,1,0,0,0,0|2,1,0]=4 22 B24R0.2855 OCCOCCOCCOCCNCCOCCOCCOCCO MCULE-8877317060 [0,1,0,0,0,0|3,0,0]=4 23 B24R0.2855 OCCOCCOCCOCCOCCOCCOCCOCCBr MCULE-7059303302 [0,1,0,0,0,0|2,0,0]=3 24 B24R0.2855 OCCOCCOCCOCCOCCOCCOCCOCCO MCULE-3002372725 [0,1,0,0,0,0|2,0,0]=3 25 B24R0.2855 OCCOCCOCCOCCOCCOCCOCCOCCS MCULE-6721251644 [0,1,0,0,0,0|2,0,0]=3 26 B24R1.2472986 C1COCCOCCOCCNCCOCCOCCOCCN1 MCULE-4825090860 [0,0,0,1,0,0|3,0,0]=4 27 B24R1.2472986 C1COCCOCCOCCOCCOCCOCCOCCO1 MCULE-7822351379 [0,0,0,1,0,0|2,0,0]=3 28 B24R1.2472986 C1COCCOCCOCCOCCOCCOCCOCOC1 MCULE-4974815867 [0,0,0,1,0,0|2,0,0]=3 29 B24R1.3559304 OCCN1CCOCCOCCOCCOCCOCCOCC1 MCULE-4324857107 [0,0,0,1,0,0|3,0,0]=4 30 B21R0.36664 CCCCCCCCCCCCCCCCCCOCCO MCULE-4680691489 [2,0,0,0,0,0|2,0,0]=4 31 B21R0.36664 CCCCCCCCCCCCNCCOCCOCCO MCULE-5817192807 [2,0,0,0,0,0|1,0,0]=3 32 B21R0.36664 CCCCCCCCCCCCOCCOCCOCCCl MCULE-2629139510 [2,0,0,0,0,0|1,0,0]=3 33 B21R0.36664 CCCCCCCCCCCCOCCOCCOCCO MCULE-1913044437 [2,0,0,0,0,0|0,0,0]=2 34 B21R0.36664 CCCCCCOCCOCCOCCOCCOCCO MCULE-1133661432 [2,0,0,0,0,0|0,0,0]=2 35 B21R0.36664 NCCOCCOCCOCCOCCOCCOCCO MCULE-5387479024 [2,0,0,0,0,0|2,0,0]=4 36 B21R0.36664 OCCOCCOCCOCCCCCCCCCCCS MCULE-6510516770 [2,0,0,0,0,0|1,0,0]=3 37 B21R0.36664 OCCOCCOCCOCCOCCOCCOCCBr MCULE-2797047049 [2,0,0,0,0,0|2,0,0]=4 38 B21R0.36664 OCCOCCOCCOCCOCCOCCOCCI MCULE-2679167320 [2,0,0,0,0,0|2,0,0]=4 39 B21R0.36664 OCCOCCOCCOCCOCCOCCOCCO MCULE-1389453612 [2,0,0,0,0,0|2,0,0]=4 40 B21R0.36664 OCCOCCOCCOCCOCCOCCOCCS MCULE-1314746927 [2,0,0,0,0,0|2,0,0]=4 41 B23R0.36959 O=C(O)COCCOCCOCCOCCOCCCCCCCl MCULE-4824293246 [1,1,0,0,0,0|1,0,1]=4 42 B25R0.7948 NC(O)COCCOCCOCCOCCOCCOCCOCCO MCULE-4833247089 [0,2,0,0,0,0|2,0,0]=4 43 B25R0.31396 CCCCCCCCCCCCCOCCOCCOCCOCCO MCULE-9821714865 [0,2,0,0,0,0|1,0,0]=3 44 B25R0.31396 CCCCCCCCCCOCCOCCOCCOCCOCCO MCULE-2415578363 [0,2,0,0,0,0|0,0,0]=2 45 B25R0.31396 COCCOCCOCCOCCOCCOCCOCCOCCBr MCULE-1195396754 [0,2,0,0,0,0|2,0,0]=4 46 B25R0.31396 COCCOCCOCCOCCOCCOCCOCCOCCI MCULE-2230865229 [0,2,0,0,0,0|2,0,0]=4 47 B25R0.31396 COCCOCCOCCOCCOCCOCCOCCOCCN MCULE-8430576279 [0,2,0,0,0,0|2,0,0]=4 48 B25R0.31396 COCCOCCOCCOCCOCCOCCOCCOCCO MCULE-3445338152 [0,2,0,0,0,0|1,0,0]=3 49 B25R0.31396 COCCOCCOCCOCCOCCOCCOCCOCCS MCULE-2272260147 [0,2,0,0,0,0|1,1,0]=4 50 B25R1.48054 OCCOCCOCCOCCOCCOCCOC1CCCCO1 MCULE-2426779754 [0,1,0,1,0,0|1,0,0]=3