"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"MicroRNA ID"	Score	Rank
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-21-5p	0.291107	1
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-16-5p	0.169491	2
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-27b-3p	0.165541	3
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-125b-5p	0.153489	4
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-124-3p	0.149217	5
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-181b-5p	0.134175	6
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-328-3p	0.132215	7
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-18a-5p	0.131813	8
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-20a-5p	0.124018	9
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-26a-5p	0.119576	10
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	let-7a-5p	0.119336	11
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-146a-5p	0.117809	12
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-148a-3p	0.115107	13
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-221-3p	0.114195	14
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-181a-5p	0.1074	15
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-663a	0.104294	16
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-27a-3p	0.103255	17
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-1-3p	0.100488	18
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-98-5p	0.0993186	19
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-323a-3p	0.0973599	20
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-638	0.0972963	21
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-24-3p	0.096821	22
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-155-5p	0.095153	23
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-29a-3p	0.0907948	24
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-451a	0.0904884	25
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-200c-3p	0.0875752	26
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-126-3p	0.0847201	27
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-19a-3p	0.0832256	28
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-17-5p	0.0829048	29
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	let-7e-5p	0.0822497	30
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-23a-3p	0.0817278	31
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	let-7d-5p	0.0805248	32
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-200b-3p	0.0803814	33
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-23b-3p	0.0801323	34
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	let-7f-5p	0.0776224	35
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-92a-3p	0.0769613	36
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-30a-5p	0.0765629	37
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-29c-3p	0.0760344	38
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-222-3p	0.0748141	39
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-320a	0.0743269	40
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-100-5p	0.0742376	41
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-15b-5p	0.0726489	42
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-34a-5p	0.0720081	43
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-335-5p	0.0709468	44
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-99b-5p	0.0707278	45
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-29b-3p	0.0685495	46
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-9-5p	0.0680603	47
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-141-3p	0.0678215	48
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	miR-375	0.0666281	49
1	Untitled	CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42	Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1	let-7c-5p	0.066259	50