Datasets:

jarod0411
/

cm_v6_idx4

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train · 1M rows

prompt stringlengths 47 229	first_mask_count int64 0 16	first_start_index int64 0 176	first_mask_gen_count int64 1 16	first_mask_tokens stringlengths 0 16	first_mask_gen_count_real int64 0 19	generated_smiles stringlengths 10 199	original_smiles stringlengths 10 192	generated_tokens stringlengths 0 19
<\|startoftext\|><L>CCO[C@@H]1C[C@@H](NC(=O)COc2cc(C)ccc2F)C12C<mask_1:7>CC2<mask_1:7>	2	43	7	CO	7	CCO[C@@H]1C[C@@H](NC(=O)COc2cc(C)ccc2F)C12CCC(CO)CCC2	CCO[C@@H]1C[C@@H](NC(=O)COc2cc(C)ccc2F)C12CCOCC2	CC(CO)C
<\|startoftext\|><L>CCO<mask_1:7>@H]1C[C@@H](NC(=O)COc2cc(C)ccc2F)C12CCOCC2<mask_1:7>	3	3	7	[C@	7	CCOC(=O)[C@H]1C[C@@H](NC(=O)COc2cc(C)ccc2F)C12CCOCC2	CCO[C@@H]1C[C@@H](NC(=O)COc2cc(C)ccc2F)C12CCOCC2	C(=O)[C
<\|startoftext\|><L>CCO[C@@H]1C[C<mask_1:7>NC(=O)COc2cc(C)ccc2F)C12CCOCC2<mask_1:7>	5	13	7	@@H](	7	CCO[C@@H]1C[C@](O)(CNC(=O)COc2cc(C)ccc2F)C12CCOCC2	CCO[C@@H]1C[C@@H](NC(=O)COc2cc(C)ccc2F)C12CCOCC2	@](O)(C
<\|startoftext\|><L>CCO[C@@H]1C[C@@H](NC(=O)COc2cc(C)ccc2F)C12CC<mask_1:2>2<mask_1:2>	3	44	2	OCC	2	CCO[C@@H]1C[C@@H](NC(=O)COc2cc(C)ccc2F)C12CCCC2	CCO[C@@H]1C[C@@H](NC(=O)COc2cc(C)ccc2F)C12CCOCC2	CC
<\|startoftext\|><L>CCO[C@@H]1C[C@@H](NC(=O)COc2cc<mask_1:1>2F)C12CCOCC2<mask_1:1>	6	30	1	(C)ccc	1	CCO[C@@H]1C[C@@H](NC(=O)COc2ccc2F)C12CCOCC2	CCO[C@@H]1C[C@@H](NC(=O)COc2cc(C)ccc2F)C12CCOCC2	c
<\|startoftext\|><L>CCO[C@@H]1C[C@@H](N<mask_1:4>C(=O)COc2cc(C)ccc2F)C12CCOCC2<mask_1:4>	0	19	4		4	CCO[C@@H]1C[C@@H](N(CC)C(=O)COc2cc(C)ccc2F)C12CCOCC2	CCO[C@@H]1C[C@@H](NC(=O)COc2cc(C)ccc2F)C12CCOCC2	(CC)
<\|startoftext\|><L>CCO[C@@H]1C[C@@H](<mask_1:7>O)COc2cc(C)ccc2F)C12CCOCC2<mask_1:7>	4	18	7	NC(=	7	CCO[C@@H]1C[C@@H](N(C)C(=O)COc2cc(C)ccc2F)C12CCOCC2	CCO[C@@H]1C[C@@H](NC(=O)COc2cc(C)ccc2F)C12CCOCC2	N(C)C(=
<\|startoftext\|><L>CCO[C@@H<mask_1:7>[C@@H](NC(=O)COc2cc(C)ccc2F)C12CCOCC2<mask_1:7>	3	8	7	]1C	7	CCO[C@@H]1CN(C)[C@@H](NC(=O)COc2cc(C)ccc2F)C12CCOCC2	CCO[C@@H]1C[C@@H](NC(=O)COc2cc(C)ccc2F)C12CCOCC2	]1CN(C)
<\|startoftext\|><L>C<mask_1:5>]1C[C@@H](NC(=O)COc2cc(C)ccc2F)C12CCOCC2<mask_1:5>	7	1	5	CO[C@@H	5	CO[C@H]1C[C@@H](NC(=O)COc2cc(C)ccc2F)C12CCOCC2	CCO[C@@H]1C[C@@H](NC(=O)COc2cc(C)ccc2F)C12CCOCC2	O[C@H
<\|startoftext\|><L>CCO[C@@H]1C[C@@H](NC(=O)COc2cc(C)ccc2F)C12CC<mask_1:3>CC2<mask_1:3>	1	44	3	O	3	CCO[C@@H]1C[C@@H](NC(=O)COc2cc(C)ccc2F)C12CCCCCCC2	CCO[C@@H]1C[C@@H](NC(=O)COc2cc(C)ccc2F)C12CCOCC2	CCC
<\|startoftext\|><L>Cc1cn2c(n1)CN(Cc1cccc(-c3ccncc3)c<mask_1:2>2<mask_1:2>	4	33	2	1)CC	2	Cc1cn2c(n1)CN(Cc1cccc(-c3ccncc3)c1)2	Cc1cn2c(n1)CN(Cc1cccc(-c3ccncc3)c1)CC2	1)
<\|startoftext\|><L>Cc1cn2c(n1)CN(Cc1cccc(-c3ccncc3)c1)C<mask_1:4>2<mask_1:4>	1	36	4	C	4	Cc1cn2c(n1)CN(Cc1cccc(-c3ccncc3)c1)CC#CC2	Cc1cn2c(n1)CN(Cc1cccc(-c3ccncc3)c1)CC2	C#CC
<\|startoftext\|><L>Cc1cn2c(n1)CN(Cc1cccc(-c3ccncc3<mask_1:2>)c1)CC2<mask_1:2>	0	31	2		2	Cc1cn2c(n1)CN(Cc1cccc(-c3ccncc3Cl)c1)CC2	Cc1cn2c(n1)CN(Cc1cccc(-c3ccncc3)c1)CC2	Cl
<\|startoftext\|><L>Cc1cn2c(n1)CN(Cc1cccc(-c3cc<mask_1:5>c3)c1)CC2<mask_1:5>	2	27	5	nc	5	Cc1cn2c(n1)CN(Cc1cccc(-c3ccc(F)cc3)c1)CC2	Cc1cn2c(n1)CN(Cc1cccc(-c3ccncc3)c1)CC2	c(F)c
<\|startoftext\|><L>Cc1cn2c(n1)CN(Cc1cccc(-c3c<mask_1:5>c3)c1)CC2<mask_1:5>	3	26	5	cnc	5	Cc1cn2c(n1)CN(Cc1cccc(-c3cnn(C)c3)c1)CC2	Cc1cn2c(n1)CN(Cc1cccc(-c3ccncc3)c1)CC2	nn(C)
<\|startoftext\|><L>Cc1cn2c(n1)CN(Cc1cccc(-c3cc<mask_1:4>c3)c1)CC2<mask_1:4>	2	27	4	nc	4	Cc1cn2c(n1)CN(Cc1cccc(-c3ccn(C)c3)c1)CC2	Cc1cn2c(n1)CN(Cc1cccc(-c3ccncc3)c1)CC2	n(C)
<\|startoftext\|><L>Cc1cn2c(n1)CN(Cc1cccc(-c3ccncc3)<mask_1:3>C2<mask_1:3>	4	32	3	c1)C	3	Cc1cn2c(n1)CN(Cc1cccc(-c3ccncc3)c1)C2	Cc1cn2c(n1)CN(Cc1cccc(-c3ccncc3)c1)CC2	c1)
<\|startoftext\|><L>Cc1cn2c(n1)CN(Cc1cccc(-c3ccncc3)c1)CC<mask_1:4>2<mask_1:4>	0	37	4		4	Cc1cn2c(n1)CN(Cc1cccc(-c3ccncc3)c1)CCCCCC2	Cc1cn2c(n1)CN(Cc1cccc(-c3ccncc3)c1)CC2	CCCC
<\|startoftext\|><L>Cc1cn2c(n1)CN(Cc1cccc(-c3<mask_1:2>3)c1)CC2<mask_1:2>	5	25	2	ccncc	2	Cc1cn2c(n1)CN(Cc1cccc(-c3cs3)c1)CC2	Cc1cn2c(n1)CN(Cc1cccc(-c3ccncc3)c1)CC2	cs
<\|startoftext\|><L>Cc1cn2c(n1)CN(Cc1cccc(-c3ccncc3)c1)CC<mask_1:1>2<mask_1:1>	0	37	1		1	Cc1cn2c(n1)CN(Cc1cccc(-c3ccncc3)c1)CCC2	Cc1cn2c(n1)CN(Cc1cccc(-c3ccncc3)c1)CC2	C
<\|startoftext\|><L>Cc1ccc2cc([C@H](c3n<mask_1:6>C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1<mask_1:6>	4	19	6	nnn3	6	Cc1ccc2cc([C@H](c3nnnn3CCC[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1	Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1	nnn3CC
<\|startoftext\|><L>Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH<mask_1:9>c2c1<mask_1:9>	1	60	9	]	9	Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c2ccccc2c1	Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1	]c2c2cccc
<\|startoftext\|><L>Cc1ccc2cc([C@H]<mask_1:9>nn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1<mask_1:9>	5	15	9	(c3nn	9	Cc1ccc2cc([C@H](c3cc(Cl)nn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1	Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1	(c3cc(Cl)
<\|startoftext\|><L>Cc1ccc2cc([C@H](c3nn<mask_1:9>[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1<mask_1:9>	4	20	9	nn3C	9	Cc1ccc2cc([C@H](c3nnnn3C[C@H][C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1	Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1	nn3C[C@H]
<\|startoftext\|><L>Cc1ccc2cc(<mask_1:4>c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1<mask_1:4>	6	10	4	[C@H](	4	Cc1ccc2cc(CN(Cc3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1	Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1	CN(C
<\|startoftext\|><L>Cc1ccc2cc([C@H](c3nnnn3C[C@<mask_1:8>@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1<mask_1:8>	0	27	8		8	Cc1ccc2cc([C@H](c3nnnn3C[C@@H](O)[C@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1	Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1	@H](O)[C
<\|startoftext\|><L>Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3C<mask_1:5>)N3CCc4ccccc4C3)c(=O)[nH]c2c1<mask_1:5>	4	32	5	CCO3	5	Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1	Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1	CCCO3
<\|startoftext\|><L>Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[n<mask_1:9>]c2c1<mask_1:9>	1	59	9	H	10	Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c(=O)[nH]c2c1	Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1	H]c(=O)[nH
<\|startoftext\|><L>Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3<mask_1:4>CCc4ccccc4C3)c(=O)[nH]c2c1<mask_1:4>	0	39	4		4	Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3C(C)CCc4ccccc4C3)c(=O)[nH]c2c1	Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1	C(C)
<\|startoftext\|><L>Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N<mask_1:9>c4ccccc4C3)c(=O)[nH]c2c1<mask_1:9>	3	38	9	3CC	9	Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N(CCCO)C3Cc4ccccc4C3)c(=O)[nH]c2c1	Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1	(CCCO)C3C
<\|startoftext\|><L>O=<mask_1:4>1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1<mask_1:4>	5	2	4	C(NCc	4	O=C(Nc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1	O=C(NCc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1	C(Nc
<\|startoftext\|><L>O<mask_1:5>Cc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1<mask_1:5>	4	1	5	=C(N	5	O=C(NCCc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1	O=C(NCc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1	=C(NC
<\|startoftext\|><L>O<mask_1:6>NCc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1<mask_1:6>	3	1	6	=C(	6	O=C(NCCNCc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1	O=C(NCc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1	=C(NCC
<\|startoftext\|><L>O=C(<mask_1:2>Cc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1<mask_1:2>	1	4	2	N	2	O=C(NCCc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1	O=C(NCc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1	NC
<\|startoftext\|><L>O=C(NCc1ccccc1)c1ccc(Br)c([N+](=O<mask_1:5>])c1<mask_1:5>	4	33	5	)[O-	4	O=C(NCc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1	O=C(NCc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1	)[O-
<\|startoftext\|><L>O=C(N<mask_1:3>cccc1)c1ccc(Br)c([N+](=O)[O-])c1<mask_1:3>	4	5	3	Cc1c	3	O=C(Nc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1	O=C(NCc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1	c1c
<\|startoftext\|><L>O=C(NCc1c<mask_1:3>cccc1)c1ccc(Br)c([N+](=O)[O-])c1<mask_1:3>	0	9	3		3	O=C(NCc1c(O)cccc1)c1ccc(Br)c([N+](=O)[O-])c1	O=C(NCc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1	(O)
<\|startoftext\|><L>O=C(NCc1ccccc1)c1ccc(Br)c<mask_1:3>[N+](=O)[O-])c1<mask_1:3>	1	25	3	(	3	O=C(NCc1ccccc1)c1ccc(Br)c(OC[N+](=O)[O-])c1	O=C(NCc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1	(OC
<\|startoftext\|><L>O=C(<mask_1:5>1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1<mask_1:5>	3	4	5	NCc	5	O=C(NCCOc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1	O=C(NCc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1	NCCOc
<\|startoftext\|><L>O=C(NCc1ccccc1)c1ccc(Br)<mask_1:5>+](=O)[O-])c1<mask_1:5>	4	24	5	c([N	5	O=C(NCc1ccccc1)c1ccc(Br)c(C[N+](=O)[O-])c1	O=C(NCc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1	c(C[N
<\|startoftext\|><L>O=C(CS(=O)(=O)CC1CCCCC1)N1CCC(c2ccccc<mask_1:3>1<mask_1:3>	4	37	3	2)=N	3	O=C(CS(=O)(=O)CC1CCCCC1)N1CCC(c2ccccc2)C1	O=C(CS(=O)(=O)CC1CCCCC1)N1CCC(c2ccccc2)=N1	2)C
<\|startoftext\|><L>O=C(CS(=O)(=O)CC1CCCCC1)<mask_1:6>CCC(c2ccccc2)=N1<mask_1:6>	2	24	6	N1	6	O=C(CS(=O)(=O)CC1CCCCC1)N[CH]1CCC(c2ccccc2)=N1	O=C(CS(=O)(=O)CC1CCCCC1)N1CCC(c2ccccc2)=N1	N[CH]1
<\|startoftext\|><L>O=C(CS(=O)(=<mask_1:3>1CCCCC1)N1CCC(c2ccccc2)=N1<mask_1:3>	4	12	3	O)CC	3	O=C(CS(=O)(=O)C1CCCCC1)N1CCC(c2ccccc2)=N1	O=C(CS(=O)(=O)CC1CCCCC1)N1CCC(c2ccccc2)=N1	O)C
<\|startoftext\|><L>O=C(CS(=O)(=O)CC1CCCCC1)N1CCC(c2cc<mask_1:5>)=N1<mask_1:5>	4	34	5	ccc2	5	O=C(CS(=O)(=O)CC1CCCCC1)N1CCC(c2ccccc2O)=N1	O=C(CS(=O)(=O)CC1CCCCC1)N1CCC(c2ccccc2)=N1	ccc2O
<\|startoftext\|><L>O=C(C<mask_1:2>(=O)(=O)CC1CCCCC1)N1CCC(c2ccccc2)=N1<mask_1:2>	1	5	2	S	2	O=C(CCS(=O)(=O)CC1CCCCC1)N1CCC(c2ccccc2)=N1	O=C(CS(=O)(=O)CC1CCCCC1)N1CCC(c2ccccc2)=N1	CS
<\|startoftext\|><L>O=C(CS(=O)(=O)CC1CCCCC1)N<mask_1:6>1CCC(c2ccccc2)=N1<mask_1:6>	0	25	6		6	O=C(CS(=O)(=O)CC1CCCCC1)NC[C@H]1CCC(c2ccccc2)=N1	O=C(CS(=O)(=O)CC1CCCCC1)N1CCC(c2ccccc2)=N1	C[C@H]
<\|startoftext\|><L>O=C(CS(=O)(=O)CC1CCCCC1)N1CCC(<mask_1:4>cc2)=N1<mask_1:4>	5	30	4	c2ccc	4	O=C(CS(=O)(=O)CC1CCCCC1)N1CCC(n2cccc2)=N1	O=C(CS(=O)(=O)CC1CCCCC1)N1CCC(c2ccccc2)=N1	n2cc
<\|startoftext\|><L>O=C(CS<mask_1:6>)(=O)CC1CCCCC1)N1CCC(c2ccccc2)=N1<mask_1:6>	3	6	6	(=O	6	O=C(CSCCS(=O)(=O)CC1CCCCC1)N1CCC(c2ccccc2)=N1	O=C(CS(=O)(=O)CC1CCCCC1)N1CCC(c2ccccc2)=N1	CCS(=O
<\|startoftext\|><L>O=C(CS(=O)(=O)<mask_1:4>CC1)N1CCC(c2ccccc2)=N1<mask_1:4>	6	14	4	CC1CCC	4	O=C(CS(=O)(=O)CC1CCC1)N1CCC(c2ccccc2)=N1	O=C(CS(=O)(=O)CC1CCCCC1)N1CCC(c2ccccc2)=N1	CC1C
<\|startoftext\|><L>O=C(CS(=O)(=O)CC1CCCC<mask_1:2>C1)N1CCC(c2ccccc2)=N1<mask_1:2>	0	21	2		2	O=C(CS(=O)(=O)CC1CCCCCCC1)N1CCC(c2ccccc2)=N1	O=C(CS(=O)(=O)CC1CCCCC1)N1CCC(c2ccccc2)=N1	CC
<\|startoftext\|><L>OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1<mask_1:7>c1ccc(Cl)cc1Cl<mask_1:7>	6	36	7	cccn1-	6	OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl	OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl	cccn1-
<\|startoftext\|><L>OCC<mask_1:8>)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl<mask_1:8>	6	3	8	N1C(=S	8	OCCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl	OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl	CCN1C(=S
<\|startoftext\|><L>OCCN1C(=<mask_1:6>](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl<mask_1:6>	8	8	6	S)N[C@@H	6	OCCN1C(=S)N[C@](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl	OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl	S)N[C@
<\|startoftext\|><L>OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c<mask_1:7>cc(Cl)cc1Cl<mask_1:7>	2	43	7	1c	6	OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1c(Cl)cc(Cl)cc1Cl	OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl	1c(Cl)
<\|startoftext\|><L>OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cc<mask_1:8>)cc1Cl<mask_1:8>	4	46	8	c(Cl	8	OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C(=O)O)cc1Cl	OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl	c(C(=O)O
<\|startoftext\|><L>OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc<mask_1:8>)cc1Cl<mask_1:8>	3	47	8	(Cl	8	OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C(F)(F))cc1Cl	OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl	(C(F)(F)
<\|startoftext\|><L>OCCN1C(=S)N[C@@H](<mask_1:2>ccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl<mask_1:2>	4	18	2	c2cc	2	OCCN1C(=S)N[C@@H](c2ccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl	OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl	c2
<\|startoftext\|><L>OCCN1C(=S)N[C@@H](c2ccccn<mask_1:6>]1c1cccn1-c1ccc(Cl)cc1Cl<mask_1:6>	7	25	6	2)[C@@H	6	OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl	OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl	2)[C@H
<\|startoftext\|><L>OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-<mask_1:8>l)cc1Cl<mask_1:8>	7	42	8	c1ccc(C	7	OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl	OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl	c1ccc(C
<\|startoftext\|><L>OC<mask_1:5>N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl<mask_1:5>	1	2	5	C	5	OCCCCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl	OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl	CCCCC
<\|startoftext\|><L>Cn1ccnc1N1C<mask_1:3>(NC(=O)c2cnc(-c3ccccc3)s2)CC1<mask_1:3>	2	11	3	CC	3	Cn1ccnc1N1CCCC(NC(=O)c2cnc(-c3ccccc3)s2)CC1	Cn1ccnc1N1CCC(NC(=O)c2cnc(-c3ccccc3)s2)CC1	CCC
<\|startoftext\|><L>Cn1<mask_1:6>N1CCC(NC(=O)c2cnc(-c3ccccc3)s2)CC1<mask_1:6>	5	3	6	ccnc1	6	Cn1ncnc1CN1CCC(NC(=O)c2cnc(-c3ccccc3)s2)CC1	Cn1ccnc1N1CCC(NC(=O)c2cnc(-c3ccccc3)s2)CC1	ncnc1C
<\|startoftext\|><L>Cn1ccnc1N1CCC(NC(=O)c2cnc(-c3ccc<mask_1:4>cc3)s2)CC1<mask_1:4>	0	32	4		4	Cn1ccnc1N1CCC(NC(=O)c2cnc(-c3ccc(Cl)cc3)s2)CC1	Cn1ccnc1N1CCC(NC(=O)c2cnc(-c3ccccc3)s2)CC1	(Cl)
<\|startoftext\|><L>Cn1ccnc1N<mask_1:4>CCC(NC(=O)c2cnc(-c3ccccc3)s2)CC1<mask_1:4>	1	9	4	1	4	Cn1ccnc1NCCN1CCC(NC(=O)c2cnc(-c3ccccc3)s2)CC1	Cn1ccnc1N1CCC(NC(=O)c2cnc(-c3ccccc3)s2)CC1	CCN1
<\|startoftext\|><L>Cn1ccnc1N1C<mask_1:1>NC(=O)c2cnc(-c3ccccc3)s2)CC1<mask_1:1>	3	11	1	CC(	1	Cn1ccnc1N1C(NC(=O)c2cnc(-c3ccccc3)s2)CC1	Cn1ccnc1N1CCC(NC(=O)c2cnc(-c3ccccc3)s2)CC1	(
<\|startoftext\|><L>Cn1ccnc1N1CCC(NC(=O)c2cnc(-c3<mask_1:1>ccc3)s2)CC1<mask_1:1>	2	29	1	cc	1	Cn1ccnc1N1CCC(NC(=O)c2cnc(-c3sccc3)s2)CC1	Cn1ccnc1N1CCC(NC(=O)c2cnc(-c3ccccc3)s2)CC1	s
<\|startoftext\|><L>Cn1ccnc1N1CCC(NC(=O)c2cnc(-c3cccc<mask_1:5>2)CC1<mask_1:5>	4	33	5	c3)s	5	Cn1ccnc1N1CCC(NC(=O)c2cnc(-c3ccccc3)nc2)CC1	Cn1ccnc1N1CCC(NC(=O)c2cnc(-c3ccccc3)s2)CC1	c3)nc
<\|startoftext\|><L>Cn1ccnc1N1CCC(<mask_1:4>C(=O)c2cnc(-c3ccccc3)s2)CC1<mask_1:4>	1	14	4	N	4	Cn1ccnc1N1CCC(N(C)C(=O)c2cnc(-c3ccccc3)s2)CC1	Cn1ccnc1N1CCC(NC(=O)c2cnc(-c3ccccc3)s2)CC1	N(C)
<\|startoftext\|><L>Cn1ccnc1N1CCC(NC(=O)c2cn<mask_1:6>3ccccc3)s2)CC1<mask_1:6>	4	24	6	c(-c	6	Cn1ccnc1N1CCC(NC(=O)c2cnc(CCOc3ccccc3)s2)CC1	Cn1ccnc1N1CCC(NC(=O)c2cnc(-c3ccccc3)s2)CC1	c(CCOc
<\|startoftext\|><L>Cn1ccnc1N1CCC(NC(=O)c2cnc(-c3ccc<mask_1:4>)s2)CC1<mask_1:4>	3	32	4	cc3	4	Cn1ccnc1N1CCC(NC(=O)c2cnc(-c3ccccc3F)s2)CC1	Cn1ccnc1N1CCC(NC(=O)c2cnc(-c3ccccc3)s2)CC1	cc3F
<\|startoftext\|><L>COc1ccc([N+](=O)[O-])cc1NS(<mask_1:3>c1ccc2c(c1)CCCN2C(C)=O<mask_1:3>	7	27	3	=O)(=O)	3	COc1ccc([N+](=O)[O-])cc1NS(=O)c1ccc2c(c1)CCCN2C(C)=O	COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O	=O)
<\|startoftext\|><L>COc1ccc([N+](=O)[<mask_1:3>])cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O<mask_1:3>	2	17	3	O-	2	COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O	COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O	O-
<\|startoftext\|><L>COc1ccc([N+](=O)[O<mask_1:8>NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O<mask_1:8>	6	18	8	-])cc1	8	COc1ccc([N+](=O)[O-])cc1CCNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O	COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O	-])cc1CC
<\|startoftext\|><L>COc1ccc([N+](=O)[O-])cc1N<mask_1:8>(=O)c1ccc2c(c1)CCCN2C(C)=O<mask_1:8>	5	25	8	S(=O)	8	COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc2c(c1)CCCN2C(C)=O	COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O	C(=O)COC
<\|startoftext\|><L>COc1ccc([N+](=O)[O<mask_1:7>(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O<mask_1:7>	8	18	7	-])cc1NS	7	COc1ccc([N+](=O)[O-])cc1S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O	COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O	-])cc1S
<\|startoftext\|><L>COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)<mask_1:6>cc2c(c1)CCCN2C(C)=O<mask_1:6>	3	34	6	c1c	6	COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(C)cc2c(c1)CCCN2C(C)=O	COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O	c1c(C)
<\|startoftext\|><L>COc1ccc<mask_1:8>N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O<mask_1:8>	2	7	8	([	8	COc1ccc(NC(=O)[N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O	COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O	(NC(=O)[
<\|startoftext\|><L>COc1ccc([N+](=O)[O-])cc1<mask_1:2>=O)(=O)c1ccc2c(c1)CCCN2C(C)=O<mask_1:2>	3	24	2	NS(	2	COc1ccc([N+](=O)[O-])cc1S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O	COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O	S(
<\|startoftext\|><L>COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c<mask_1:7>CCN2C(C)=O<mask_1:7>	5	41	7	(c1)C	7	COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)CCCCCN2C(C)=O	COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O	(c1)CCC
<\|startoftext\|><L>COc1ccc([<mask_1:3>O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O<mask_1:3>	5	9	3	N+](=	4	COc1ccc([N+](O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O	COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O	N+](
<\|startoftext\|><L>CCc1cnc(CCN=C(N<mask_1:2>(C)C)N(C)C)s1<mask_1:2>	0	15	2		2	CCc1cnc(CCN=C(NCC(C)C)N(C)C)s1	CCc1cnc(CCN=C(N(C)C)N(C)C)s1	CC
<\|startoftext\|><L>CCc1cnc(CCN=C(N(C)C<mask_1:3>N(C)C)s1<mask_1:3>	1	19	3	)	3	CCc1cnc(CCN=C(N(C)C)CCN(C)C)s1	CCc1cnc(CCN=C(N(C)C)N(C)C)s1	)CC
<\|startoftext\|><L>CCc1cn<mask_1:2>N=C(N(C)C)N(C)C)s1<mask_1:2>	4	6	2	c(CC	2	CCc1cnc(N=C(N(C)C)N(C)C)s1	CCc1cnc(CCN=C(N(C)C)N(C)C)s1	c(
<\|startoftext\|><L>CCc1cnc(CCN=C<mask_1:4>(C)C)N(C)C)s1<mask_1:4>	2	13	4	(N	4	CCc1cnc(CCN=C(NCC(C)C)N(C)C)s1	CCc1cnc(CCN=C(N(C)C)N(C)C)s1	(NCC
<\|startoftext\|><L>CCc1cnc(CCN<mask_1:1>=C(N(C)C)N(C)C)s1<mask_1:1>	0	11	1		1	CCc1cnc(CCNN=C(N(C)C)N(C)C)s1	CCc1cnc(CCN=C(N(C)C)N(C)C)s1	N
<\|startoftext\|><L>CCc1cnc(CCN=C(N(<mask_1:4>)N(C)C)s1<mask_1:4>	3	16	4	C)C	4	CCc1cnc(CCN=C(N(C)CC)N(C)C)s1	CCc1cnc(CCN=C(N(C)C)N(C)C)s1	C)CC
<\|startoftext\|><L>CCc1cnc(CCN=C(N<mask_1:3>)N(C)C)s1<mask_1:3>	4	15	3	(C)C	3	CCc1cnc(CCN=C(N(C))N(C)C)s1	CCc1cnc(CCN=C(N(C)C)N(C)C)s1	(C)
<\|startoftext\|><L>CCc1cnc(CCN=C(N(C)<mask_1:1>N(C)C)s1<mask_1:1>	2	18	1	C)	1	CCc1cnc(CCN=C(N(C))N(C)C)s1	CCc1cnc(CCN=C(N(C)C)N(C)C)s1	)
<\|startoftext\|><L><mask_1:1>CCc1cnc(CCN=C(N(C)C)N(C)C)s1<mask_1:1>	0	0	1		1	CCCc1cnc(CCN=C(N(C)C)N(C)C)s1	CCc1cnc(CCN=C(N(C)C)N(C)C)s1	C
<\|startoftext\|><L>CCc1cnc(CCN=C(N(C)C)N(<mask_1:4>)s1<mask_1:4>	3	22	4	C)C	4	CCc1cnc(CCN=C(N(C)C)N(C)CC)s1	CCc1cnc(CCN=C(N(C)C)N(C)C)s1	C)CC
<\|startoftext\|><L>Cc1ccc(NC(=O)NC2C<mask_1:5>)CC2)cc1OCC(F)F<mask_1:5>	4	17	5	CC(O	5	Cc1ccc(NC(=O)NC2CCC(CO)CC2)cc1OCC(F)F	Cc1ccc(NC(=O)NC2CCC(O)CC2)cc1OCC(F)F	CC(CO
<\|startoftext\|><L>Cc1ccc(NC(=O)NC2C<mask_1:3>CC2)cc1OCC(F)F<mask_1:3>	5	17	3	CC(O)	3	Cc1ccc(NC(=O)NC2CCCCCC2)cc1OCC(F)F	Cc1ccc(NC(=O)NC2CCC(O)CC2)cc1OCC(F)F	CCC
<\|startoftext\|><L>Cc1ccc(NC(=O)NC2CCC(<mask_1:4>)cc1OCC(F)F<mask_1:4>	5	20	4	O)CC2	4	Cc1ccc(NC(=O)NC2CCC(C)C2)cc1OCC(F)F	Cc1ccc(NC(=O)NC2CCC(O)CC2)cc1OCC(F)F	C)C2
<\|startoftext\|><L>Cc1ccc(NC(=O)NC2CCC(O)<mask_1:3>CC2)cc1OCC(F)F<mask_1:3>	0	22	3		3	Cc1ccc(NC(=O)NC2CCC(O)(C)CC2)cc1OCC(F)F	Cc1ccc(NC(=O)NC2CCC(O)CC2)cc1OCC(F)F	(C)
<\|startoftext\|><L>Cc1ccc(NC(=O)NC2CCC(O)CC2<mask_1:3>OCC(F)F<mask_1:3>	4	25	3	)cc1	3	Cc1ccc(NC(=O)NC2CCC(O)CC2)n1OCC(F)F	Cc1ccc(NC(=O)NC2CCC(O)CC2)cc1OCC(F)F	)n1
<\|startoftext\|><L>Cc1ccc(NC(=O)NC2CC<mask_1:1>C2)cc1OCC(F)F<mask_1:1>	5	18	1	C(O)C	1	Cc1ccc(NC(=O)NC2CCCC2)cc1OCC(F)F	Cc1ccc(NC(=O)NC2CCC(O)CC2)cc1OCC(F)F	C
<\|startoftext\|><L>Cc1ccc(NC(=O)NC2CCC(O)CC2)c<mask_1:4>(F)F<mask_1:4>	5	27	4	c1OCC	4	Cc1ccc(NC(=O)NC2CCC(O)CC2)cc1OC(F)F	Cc1ccc(NC(=O)NC2CCC(O)CC2)cc1OCC(F)F	c1OC
<\|startoftext\|><L>Cc1ccc(NC(=O)NC2CCC(O)CC2)<mask_1:4>C(F)F<mask_1:4>	5	26	4	cc1OC	4	Cc1ccc(NC(=O)NC2CCC(O)CC2)cc1OC(F)F	Cc1ccc(NC(=O)NC2CCC(O)CC2)cc1OCC(F)F	cc1O
<\|startoftext\|><L>Cc1ccc(NC(=O)NC2<mask_1:3>O)CC2)cc1OCC(F)F<mask_1:3>	4	16	3	CCC(	3	Cc1ccc(NC(=O)NC2CC(O)CC2)cc1OCC(F)F	Cc1ccc(NC(=O)NC2CCC(O)CC2)cc1OCC(F)F	CC(
<\|startoftext\|><L>Cc1ccc(NC(=O)NC2CCC(O)CC2)<mask_1:5>OCC(F)F<mask_1:5>	3	26	5	cc1	5	Cc1ccc(NC(=O)NC2CCC(O)CC2)cc1OCOCC(F)F	Cc1ccc(NC(=O)NC2CCC(O)CC2)cc1OCC(F)F	cc1OC