compound_name
stringclasses 136
values | SMILES
stringclasses 135
values | permeability
float64 -7.39
-3.78
| split
stringclasses 1
value | SMILES_ORIGINAL
stringclasses 135
values | IMAGE
imagewidth (px) 300
300
| SELFIES
stringclasses 135
values | InChIKey
stringclasses 135
values | IUPAC
stringclasses 135
values | template_original
stringclasses 16
values | template
stringlengths 67
724
|
|---|---|---|---|---|---|---|---|---|---|---|
2g | COC(=O)c1c(F)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1 | -4.568636 | test | COC(=O)c1c(F)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=C][C][=C][Branch2][Ring1][=C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch2][C][Branch1][C][F][=C][Ring2][Ring1][=Branch1] | FISOJWXCEZIQPU-SNVBAGLBSA-N | methyl4-chloro-2-fluoro-6-[3-fluoro-4-[(1R)-1-[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]benzoate | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a, b, or c without using any additional words.
Options:
a. C=CCc1cc(OC)c(OC(C)C(O)c2ccc(OC)c(OC)c2)c(OC)c1
b. Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1
c. COC(=O)c1c(F)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1
Answer: c |
|
Cisapride | COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC | -4.52 | test | COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC | [C][O][C][=C][C][Branch1][C][N][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][N][Branch1][S][C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][P][O][C] | DCSUBABJRXZOMT-UHFFFAOYSA-N | 4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a, b, or c without using any additional words.
Options:
(a) C=C(c1ccccc1)[C@H]1OC[C@@H](NC(=O)Cc2ccccc2)[C@H](C)O1
(b) CN1C(=O)CC(N2CCCN(CC/C=C3/c4ccccc4CCc4ccc(CC(=O)O)cc43)CC2)N(C)C1=O
(c) COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC
Answer: c |
|
Methyldopa | C[C@@](N)(Cc1ccc(O)c(O)c1)C(=O)O | -6.619894 | test | C[C@@](N)(Cc1ccc(O)c(O)c1)C(=O)O | [C][C@@][Branch1][C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][O] | CJCSPKMFHVPWAR-SNVBAGLBSA-N | (2R)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a, b, c, or d without using any other words.
Options:
a C[C@@](N)(Cc1ccc(O)c(O)c1)C(=O)O
b Cn1c(N2CCCN(CCCN3c4ccccc4Sc4ccc(CC(=O)O)cc43)CC2)cc(=O)n(C)c1=O
c Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN)C(C)C)c1
d Nc1nc(=O)c2ncn([C@@H]3C[C@H](CO)[C@H]3CO)c2[nH]1
Answer: a |
|
N-Acetyl-D-leucyl-D-phenylalanine N-Methylamide (4) | CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(C)=O | -5.214224 | test | CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(C)=O | [C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][Branch1][C][C][=O] | NJNNKSGOBUNLHA-HZPDHXFCSA-N | (2R)-2-acetamido-4-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a or b without using any additional words.
Options:
(a) CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(C)=O
(b) NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)c1
Answer: a |
|
10 | N=C(N)c1cccc(CC(CC(=O)N2CCNCC2)NS(=O)(=O)c2ccc3ccccc3c2)c1 | -7.031226 | test | N=C(N)c1cccc(CC(CC(=O)N2CCNCC2)NS(=O)(=O)c2ccc3ccccc3c2)c1 | [N][=C][Branch1][C][N][C][=C][C][=C][C][Branch2][Ring2][Branch2][C][C][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][N][C][C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring2][Ring1][#C] | SZTDZPPTMKDUAQ-UHFFFAOYSA-N | 3-[2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-4-piperazin-1-yl-butyl]benzenecarboximidamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, c, or d without using any other words.
Options:
a) Cn1c(N2CCCN(CCCN3c4ccccc4Sc4cccc(C(=O)O)c43)CC2)cc(=O)n(C)c1=O
b) CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)N(C)C(C)=O
c) CC(C)[C@H](N)C(=O)OC[C@H]1O[C@@H](n2ccc(O)nc2=O)[C@@H](O)[C@@H]1O
d) N=C(N)c1cccc(CC(CC(=O)N2CCNCC2)NS(=O)(=O)c2ccc3ccccc3c2)c1
Answer: d |
|
5'-L-glycyl-L-leucyl-floxuridine | CC(C)CC(NC(=O)CN)C(=O)OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@H]1O | -5.200675 | test | CC(C)CC(NC(=O)CN)C(=O)OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@H]1O | [C][C][Branch1][C][C][C][C][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][C@@H1][O][C@H1][Branch1][S][N][C][=C][Branch1][C][F][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][C@H1][Ring1][=C][O] | SEZHTSJNDLIZFF-BOZUGAJUSA-N | [(2S,3R,5S)-5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl2-(2-azanylethanoylamino)-4-methyl-pentanoate | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, or c without using any additional words.
Options:
(a) CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
(b) CC(C)CC(NC(=O)CN)C(=O)OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@H]1O
(c) C=CCc1cc(OC)c(OC(C)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1
Answer: b |
|
N-[5-[(4-Dimethylaminobenzoyl)amino]pentyl]-2-mercaptoacetamide (S2) | CN(C)c1ccc(C(=O)NCCCCCNC(=O)CS)cc1 | -5.132448 | test | CN(C)c1ccc(C(=O)NCCCCCNC(=O)CS)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][C][=Branch1][C][=O][C][S][C][=C][Ring2][Ring1][Ring1] | SGOHSANPZHQNKM-UHFFFAOYSA-N | 4-(dimethylamino)-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, c, d, or e without using any other words.
Options:
a.) Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1
b.) CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(=O)[nH]n3C)CS[C@H]12)c1csc(N)n1
c.) COc1ccc(-c2oc3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)cc1
d.) CN(C)c1ccc(C(=O)NCCCCCNC(=O)CS)cc1
e.) CCc1oc(O)c(Cc2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)c(=O)c1C
Answer: d |
|
Vorinostat (SAHA-suberoylanilide hydroxamic acid) | O=C(CCCCCCC(=O)Nc1ccccc1)NO | -5.629466 | test | O=C(CCCCCCC(=O)Nc1ccccc1)NO | [O][=C][Branch2][Ring1][Ring2][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][O] | WAEXFXRVDQXREF-UHFFFAOYSA-N | N'-hydroxy-N-phenyloctanediamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a or b without using any other words.
Options:
a: CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC1CCCCC1)NC(C)=O
b: O=C(CCCCCCC(=O)Nc1ccccc1)NO
Answer: b |
|
10b | CC(C)(NC(=O)c1cc2ccccc2s1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | -5.328951 | test | CC(C)(NC(=O)c1cc2ccccc2s1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 | [C][C][Branch1][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1] | SQYYANNTSKMXLF-HSZRJFAPSA-N | N-[2-methyl-1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, or c without using any other words.
Options:
a. C=C(C)CNc1ccc(C(C)C(=O)O)cc1
b. CC(C)(NC(=O)c1cc2ccccc2s1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1
c. Cn1c(N2CCN(CCCN3c4ccccc4Sc4ccc(CCC(=O)O)cc43)CC2)cc(=O)n(C)c1=O
Answer: b |
|
Ethylparaben | CCOC(=O)c1ccc(O)cc1 | -4.810291 | test | CCOC(=O)c1ccc(O)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | NUVBSKCKDOMJSU-UHFFFAOYSA-N | ethyl4-hydroxybenzoate | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a or b without using any other words.
Options:
(a) CCOC(=O)c1ccc(O)cc1
(b) CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
Answer: a |
|
3'-L-Ile-FUdR | CC[C@H](C)[C@H](N)C(=O)O[C@@H]1C[C@@H](n2cc(F)c(=O)[nH]c2=O)O[C@H]1CO | -5.56 | test | CC[C@H](C)[C@H](N)C(=O)O[C@@H]1C[C@@H](n2cc(F)c(=O)[nH]c2=O)O[C@H]1CO | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][C@@H1][C][C@@H1][Branch1][S][N][C][=C][Branch1][C][F][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][O][C@H1][Ring1][=C][C][O] | FDDDGHQUKSWDLZ-IXLGGCIWSA-N | [(2S,3R,5S)-5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl](2S,3S)-2-azanyl-3-methyl-pentanoate | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, or c without using any other words.
Options:
a) CC[C@H](C)[C@H](N)C(=O)O[C@@H]1C[C@@H](n2cc(F)c(=O)[nH]c2=O)O[C@H]1CO
b) O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccc(C(F)(F)F)cc2s1
c) c1ccc(Cn2nnnc2C(c2ccc(Cn3cncn3)cc2)N2CCCN(C3CCC3)CC2)cc1
Answer: a |
|
5'-L-Asp-FUdR | NC(CC(=O)O)C(=O)OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@H]1O | -6.49 | test | NC(CC(=O)O)C(=O)OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@H]1O | [N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][C@@H1][O][C@H1][Branch1][S][N][C][=C][Branch1][C][F][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][C@H1][Ring1][=C][O] | DEMJKVUJSKHPIJ-UXGQUHLOSA-N | 3-azanyl-4-[[(2S,3R,5S)-5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]-4-oxidanylidene-butanoicacid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, or c without using any other words.
Options:
a. NC(CC(=O)O)C(=O)OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@H]1O
b. C=C(C)C(COc1c2occc2cc2ccc(=O)oc12)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
c. Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
Answer: a |
|
2c | N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)c1 | -7 | test | N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)c1 | [N][=C][Branch1][C][N][C][=C][C][=C][C][Branch2][Ring2][P][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=N][Ring1][S][=C][Ring2][Ring2][C] | CMCYVWKFRRVLKG-UHFFFAOYSA-N | 2-(3-carbamimidoylphenyl)-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]-5-(trifluoromethyl)pyrazole-3-carboxamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, or c without using any additional words.
Options:
[a] CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(N)=O
[b] CN1C(=O)CC(N2CCN(CC/C=C3/c4ccccc4COc4ccc(CC(=O)O)cc43)CC2)N(C)C1=O
[c] N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)c1
Answer: c |
|
zidovudine | Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O | -5.06 | test | Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O | [C][C][=C][N][Branch1][P][C@H1][C][C@H1][Branch1][Ring2][N][=N+1][=N-1][C@@H1][Branch1][Ring1][C][O][O][Ring1][#Branch2][C][=Branch1][C][=O][NH1][C][Ring1][P][=O] | HBOMLICNUCNMMY-XLPZGREQSA-N | 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a, b, c, or d without using any other words.
Options:
[a] CC(C)NC[C@H](COc1ccc(CCOCC2CC2)cc1)OC(=O)C1CC1
[b] Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O
[c] CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
[d] CCCCC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)O)c(F)c1
Answer: b |
|
amfenac sodium | Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1.O.[Na+] | -4.52 | test | Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1.O.[Na+] | [N][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1].[O].[Na+1] | QZNJPJDUBTYMRS-UHFFFAOYSA-M | sodium;2-(2-amino-3-benzoylphenyl)acetate;hydrate | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a, b, c, or d without using any additional words.
Options:
(a) Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1.O.[Na+]
(b) O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1/C=C/Br
(c) COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)nc(-c3nc(C(C)C)cs3)nc2c1
(d) CN1[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2
Answer: a |
|
epinephrine | CNC[C@H](O)c1ccc(O)c(O)c1 | -6.125 | test | CNC[C@H](O)c1ccc(O)c(O)c1 | [C][N][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2] | UCTWMZQNUQWSLP-VIFPVBQESA-N | 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, c, or d without using any other words.
Options:
a.) CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1
b.) CNC[C@H](O)c1ccc(O)c(O)c1
c.) CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1
d.) CCCOC(=O)c1ccc(O)cc1
Answer: b |
|
1033-Dextromethorphan (DEM) | COc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)N(C)CC3 | -4.628932 | test | COc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)N(C)CC3 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C@@][C][C][C][C][C@@H1][Ring1][=Branch1][C@@H1][Branch1][Ring2][C][Ring1][O][N][Branch1][C][C][C][C][Ring1][N] | MKXZASYAUGDDCJ-KBAYOESNSA-N | (1R,9R,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a, b, c, or d without using any additional words.
Options:
a) CNC[C@H](O)c1ccc(O)c(O)c1
b) COc1ccc2c(=O)cc(-c3ccccc3)oc2c1
c) COc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)N(C)CC3
d) CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
Answer: c |
|
Sulfanilic acid | Nc1ccc(S(=O)(=O)O)cc1 | -5.43 | test | Nc1ccc(S(=O)(=O)O)cc1 | [N][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2] | HVBSAKJJOYLTQU-UHFFFAOYSA-N | 4-aminocyclohexa-1,3,5-triene-1-sulfonicacid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a, b, c, or d without using any other words.
Options:
[a] C=CCNC(=O)C(=O)C(CCC)NC(=O)C1C2C(CN1C(=O)C(NC(=O)NC(C(=O)C(C)C)C(C)C)C(C)(C)C)C2(C)C
[b] Nc1ccc(S(=O)(=O)O)cc1
[c] CN1C(=O)CC(N2CCN(CC/C=C3/c4ccccc4COc4ccc(CC(=O)O)cc43)CC2)N(C)C1=O
[d] NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)c1
Answer: b |
|
Methyl gallate | COC(=O)c1cc(O)c(O)c(O)c1 | -5.39 | test | COC(=O)c1cc(O)c(O)c(O)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2] | FBSFWRHWHYMIOG-UHFFFAOYSA-N | methyl 3,4,5-trihydroxybenzoate | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, c, or d without using any other words.
Options:
a O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1
b C#CC#CC/C=C\CCCCC/C=C/C(=O)NCC(C)CC
c CN(C)CCCN1c2ccccc2Sc2ccccc21
d COC(=O)c1cc(O)c(O)c(O)c1
Answer: d |
|
alminoprofen | C=C(C)CNc1ccc(C(C)C(=O)O)cc1 | -4.34 | test | C=C(C)CNc1ccc(C(C)C(=O)O)cc1 | [C][=C][Branch1][C][C][C][N][C][=C][C][=C][Branch1][#Branch2][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][O] | FPHLBGOJWPEVME-UHFFFAOYSA-N | 2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, c, or d without using any other words.
Options:
(a) C=C(C)CNc1ccc(C(C)C(=O)O)cc1
(b) Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1
(c) CC(=O)NCC1CN(c2ccc(C(C)=O)cc2)S(=O)N1C
(d) O=C(O)c1ccccc1
Answer: a |
|
5'-L-leucyl-L-glycyl-floxuridine | CC(C)CC(N)C(=O)NCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@H]1O | -5.420681 | test | CC(C)CC(N)C(=O)NCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@H]1O | [C][C][Branch1][C][C][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][C@@H1][O][C@H1][Branch1][S][N][C][=C][Branch1][C][F][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][C@H1][Ring1][=C][O] | TYJUAOADSAYVLK-JUIFTKJUSA-N | [(2S,3R,5S)-5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl2-[(2-azanyl-4-methyl-pentanoyl)amino]ethanoate | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, c, d, or e without using any additional words.
Options:
a) CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1
b) CC(C)CC(N)C(=O)NCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@H]1O
c) CC[C@H]1[C@@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H](C2[C@@H]5O)N3[C@@H]1O
d) COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC
e) COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1
Answer: b |
|
Guanabenz | NC(N)=NN=Cc1c(Cl)cccc1Cl | -4.33 | test | NC(N)=NN=Cc1c(Cl)cccc1Cl | [N][C][Branch1][C][N][=N][N][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | WDZVGELJXXEGPV-UHFFFAOYSA-N | 2-[(2,6-dichlorocyclohexa-1,3,5-trien-1-yl)methylideneamino]guanidine | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, c, d, or e without using any other words.
Options:
a O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1/C=C/Br
b NC(N)=NN=Cc1c(Cl)cccc1Cl
c CN1C(=O)CC(N2CCN(CC/C=C3/c4ccccc4CCc4ccc(CC(=O)O)cc43)CC2)N(C)C1=O
d COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O
e C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12
Answer: b |
|
enalapril | CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O | -5.672 | test | CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O | [C][C][O][C][=Branch1][C][=O][C@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O] | GBXSMTUPTTWBMN-XIRDDKMYSA-N | (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylicacid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, c, or d without using any additional words.
Options:
a.) CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
b.) Cn1c(N2CCCN(CCCN3c4ccccc4Sc4cccc(C(=O)O)c43)CC2)cc(=O)n(C)c1=O
c.) N=C(N)c1ccc2[nH]c(-c3ccccn3)nc2c1
d.) CC(C)(C)CC(=O)Nc1c(F)cc(C(=O)Nc2nccs2)cc1F
Answer: a |
|
Netivudine (882C87) | CC#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O | -5.168746 | test | CC#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O | [C][C][#C][C][=C][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O][C][=Branch1][C][=O][NH1][C][Ring1][S][=O] | QLOCVMVCRJOTTM-SDNRWEOFSA-N | 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-ynylpyrimidine-2,4-dione | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, or c without using any additional words.
Options:
a) CC1CCN(C(=O)CC(Cc2cccc(N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1
b) NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1
c) CC#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O
Answer: c |
|
N-Acetyl-D-alanine Phenethylamide (8) | CC(=O)N[C@H](C)C(=O)NCCc1ccccc1 | -4.609533 | test | CC(=O)N[C@H](C)C(=O)NCCc1ccccc1 | [C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | MCDHEYHDZSVVDX-SNVBAGLBSA-N | (2R)-2-acetamido-N-(2-phenylethyl)propanamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, or c without using any additional words.
Options:
a: O=c1c(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12
b: COC(=O)c1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1
c: CC(=O)N[C@H](C)C(=O)NCCc1ccccc1
Answer: c |
|
N-Acetyl-D-alanyl-D-phenylalanine N-Methylamide (2) | CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(C)=O | -5.74844 | test | CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(C)=O | [C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][Branch1][C][C][=O] | YCAVXKLBMDQQNF-ZWNOBZJWSA-N | (2R)-2-[[(2R)-2-acetamidopropanoyl]amino]-N-methyl-3-phenylpropanamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, c, d, or e without using any additional words.
Options:
[a] CC(C)CC(N)C(=O)NCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@H]1O
[b] CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12
[c] CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(C)=O
[d] COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
[e] Clc1ccncc1
Answer: c |
|
EF5292 | CC(C)(C)C(=O)OCOC(=O)N1CCC(N2CCN(CC(=O)c3ccc(OCC(=O)OC4CCCCC4)cc3)C(=O)C2)CC1 | -4.44 | test | CC(C)(C)C(=O)OCOC(=O)N1CCC(N2CCN(CC(=O)c3ccc(OCC(=O)OC4CCCCC4)cc3)C(=O)C2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][=C][N][C][C][N][Branch2][Ring1][#C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P][C][=Branch1][C][=O][C][Ring2][Ring1][O][C][C][Ring2][Ring1][P] | TWESEFIUIFCUKF-UHFFFAOYSA-N | 2,2-dimethylpropanoyloxymethyl 4-[4-[2-[4-(2-cyclohexyloxy-2-oxoethoxy)phenyl]-2-oxoethyl]-3-oxopiperazin-1-yl]piperidine-1-carboxylate | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, c, or d without using any additional words.
Options:
a.) CC(C)(C)C(=O)OCOC(=O)N1CCC(N2CCN(CC(=O)c3ccc(OCC(=O)OC4CCCCC4)cc3)C(=O)C2)CC1
b.) CCOc1cccc(NC(=O)OCCN2CCCC2)c1
c.) CC(C)CC(N)C(=O)NCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@H]1O
d.) Cc1nc(-c2ccc(Cl)cc2-c2ccc([C@@H](C)NC(=O)C3(NC(=O)C(F)(F)F)CC3)c(F)c2)no1
Answer: a |
|
Ac-D-phe-NH2 | CC(=O)N[C@@H](Cc1ccccc1)C(N)=O | -5.10009 | test | CC(=O)N[C@@H](Cc1ccccc1)C(N)=O | [C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] | LRSBEAVFLIKKIO-JTQLQIEISA-N | (2S)-2-acetamido-3-phenylpropanamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a, b, c, or d without using any other words.
Options:
a.) CC(=O)N[C@@H](Cc1ccccc1)C(N)=O
b.) OC[C@@H]1O[C@@](O)(CO)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
c.) O=C1CCCN1CCCCN1CCN(c2cc(C(F)(F)F)ccn2)CC1
d.) CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N(O)O)cccc3nc2-1
Answer: a |
|
(-)-Epicatechin (36) | Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2 | -6.431192 | test | Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2 | [O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C@H1][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C@H1][Branch1][C][O][C][Ring1][S] | PFTAWBLQPZVEMU-UKRRQHHQSA-N | (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, c, or d without using any other words.
Options:
a.) Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2
b.) CNC1(c2ccccc2Cl)CCCCC1=O
c.) COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC
d.) Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2
Answer: d |
|
Ketamine | CNC1(c2ccccc2Cl)CCCCC1=O | -4.26 | test | CNC1(c2ccccc2Cl)CCCCC1=O | [C][N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][C][C][C][Ring1][=N][=O] | YQEZLKZALYSWHR-UHFFFAOYSA-N | 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a, b, c, d, or e without using any additional words.
Options:
[a] NC(=O)N1C(=O)C(C(=O)c2cccs2)c2cc(Cl)ccc21
[b] COCCOCCOCC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1
[c] CC1CCN(C(=O)CC(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1
[d] O=C(CO)N1CCN(c2ccc(N3C[C@H](CNC(=S)C4CC4)OC3=O)cc2F)CC1
[e] CNC1(c2ccccc2Cl)CCCCC1=O
Answer: e |
|
26 | Cn1c(N2CCN(CCCCN3c4ccccc4Sc4ccc(C(=O)O)cc43)CC2)cc(=O)n(C)c1=O | -4.69 | test | Cn1c(N2CCN(CCCCN3c4ccccc4Sc4ccc(C(=O)O)cc43)CC2)cc(=O)n(C)c1=O | [C][N][C][Branch2][Ring2][N][N][C][C][N][Branch2][Ring1][S][C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][Ring1][P][C][C][Ring2][Ring1][O][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring2][Ring2][Ring1][=O] | UQAJLTTZWHXNJH-UHFFFAOYSA-N | 10-[4-[4-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]butyl]phenothiazine-2-carboxylic acid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a or b without using any additional words.
Options:
[a] Cn1c(N2CCN(CCCCN3c4ccccc4Sc4ccc(C(=O)O)cc43)CC2)cc(=O)n(C)c1=O
[b] Cn1cncc1CN1CC(N(Cc2ccccn2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21
Answer: a |
|
Tanshinol (TSL) | O=C(O)C(O)Cc1ccc(O)c(O)c1 | -5.91182 | test | O=C(O)C(O)Cc1ccc(O)c(O)c1 | [O][=C][Branch1][C][O][C][Branch1][C][O][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2] | PAFLSMZLRSPALU-UHFFFAOYSA-N | 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a or b without using any other words.
Options:
[a] CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1
[b] O=C(O)C(O)Cc1ccc(O)c(O)c1
Answer: b |
|
Promethazine | CC(CN1c2ccccc2Sc2ccccc21)N(C)C | -3.777772 | test | CC(CN1c2ccccc2Sc2ccccc21)N(C)C | [C][C][Branch2][Ring1][=Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][N][Branch1][C][C][C] | PWWVAXIEGOYWEE-UHFFFAOYSA-N | N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, or c without using any other words.
Options:
a) COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2C)cc1OC
b) FC(F)(F)c1cccc(C2=CCN(CCc3ccc4ccccc4c3)CC2)c1
c) CC(CN1c2ccccc2Sc2ccccc21)N(C)C
Answer: c |
|
6 | NS(=O)(=O)c1ccc(Cl)cc1 | -4.262013 | test | NS(=O)(=O)c1ccc(Cl)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | HHHDJHHNEURCNV-UHFFFAOYSA-N | 4-chlorobenzenesulfonamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a or b without using any additional words.
Options:
a.) NS(=O)(=O)c1ccc(Cl)cc1
b.) COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3cccc(C(C)C)n3)nc2c1C
Answer: a |
|
H 244/45 | CCC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1 | -5.219842 | test | CCC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][C][=C][Ring1][#C] | BPENFEPYBVXUII-UHFFFAOYSA-N | N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a or b without using any additional words.
Options:
a. Nc1ccc(S(=O)(=O)O)cc1
b. CCC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1
Answer: b |
|
Phencyclidine (PCP) | c1ccc(C2(N3CCCCC3)CCCCC2)cc1 | -4.48 | test | c1ccc(C2(N3CCCCC3)CCCCC2)cc1 | [C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][Ring1][N][C][=C][Ring2][Ring1][C] | JTJMJGYZQZDUJJ-UHFFFAOYSA-N | 1-(1-phenylcyclohexyl)piperidine | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, c, or d without using any additional words.
Options:
a: CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl
b: c1ccc(C2(N3CCCCC3)CCCCC2)cc1
c: COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2C)cc1OC
d: COc1ccc2c(O[C@@H]3CC4C(=O)N[C@]5(C(=O)O)C[C@@H]5/C=C\CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(C)C)n3)nc2c1
Answer: b |
|
Lisinopril | NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O | -6.66 | test | NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O | [N][C][C][C][C][C@H1][Branch2][Ring1][Ring2][N][C@@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][O] | RLAWWYSOJDYHDC-OKZBNKHCSA-N | (2R)-1-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, or c without using any other words.
Options:
a: c1ccc(C2(N3CCCCC3)CCCCC2)cc1
b: COC(=O)C[C@@H](C(=O)NN(Cc1ccc(/C=C\c2ccccc2)cc1)C[C@@](O)(Cc1ccccc1)C(=O)NC1c2ccccc2C[C@H]1O)C(C)(C)C
c: NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O
Answer: c |
|
N-Acetyl-D-valine Phenethylamide (9a) | CC(=O)N[C@@H](C(=O)NCCc1ccccc1)C(C)C | -4.461091 | test | CC(=O)N[C@@H](C(=O)NCCc1ccccc1)C(C)C | [C][C][=Branch1][C][=O][N][C@@H1][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C] | KDWYUXCCSWVIAK-CQSZACIVSA-N | (2R)-2-acetamido-3-methyl-N-(2-phenylethyl)butanamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, c, or d without using any other words.
Options:
a.) CC1(C)CC(=O)N(CCCCN2CCN(c3ncccn3)CC2)C(=O)C1
b.) CC(=O)N[C@@H](C(=O)NCCc1ccccc1)C(C)C
c.) CNCCN[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1)C(C)C
d.) O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O
Answer: b |
|
meloxicam | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | -4.71 | test | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | [C][C][=C][N][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][=N][C][S][Ring2][Ring1][=Branch1] | ZRVUJXDFFKFLMG-UHFFFAOYSA-N | 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a, b, c, d, or e without using any other words.
Options:
[a] Cn1c(N2CCCN(CCCN3c4ccccc4Sc4ccc(C(=O)O)cc43)CC2)cc(=O)n(C)c1=O
[b] COCN1C(=O)N(COC)C(=O)C(c2ccccc2)(c2ccccc2)C1=O
[c] CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(=O)[nH]n3C)CS[C@H]12)c1csc(N)n1
[d] CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
[e] Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
Answer: e |
|
884-14b | C=C(c1ccccc1)[C@H]1OC[C@@H](NC(=O)Cc2ccccc2)[C@H](C)O1 | -5.050366 | test | C=C(c1ccccc1)[C@H]1OC[C@@H](NC(=O)Cc2ccccc2)[C@H](C)O1 | [C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][O][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][C][O][Ring1][P] | KSOAVMSTMKUCJJ-SCWSEQNSSA-N | N-[(2S,4S,5R)-4-methyl-2-(1-phenylethenyl)-1,3-dioxan-5-yl]-2-phenylacetamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, c, d, or e without using any other words.
Options:
[a] CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1
[b] CC(C)(C)c1nn2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1
[c] COC(C)(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]4(C)C3CC[C@]12C
[d] C=C(c1ccccc1)[C@H]1OC[C@@H](NC(=O)Cc2ccccc2)[C@H](C)O1
[e] CC(C)S(=O)(=O)n1c(N)nc2ccc(/C(=C/C(N)=O)c3cc(F)c(F)c(F)c3)cc21
Answer: d |
|
Propylparaben | CCCOC(=O)c1ccc(O)cc1 | -4.39 | test | CCCOC(=O)c1ccc(O)cc1 | [C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | QELSKZZBTMNZEB-UHFFFAOYSA-N | propyl4-hydroxycyclohexa-1,3,5-triene-1-carboxylate | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, c, d, or e without using any other words.
Options:
a.) Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
b.) O=C(CS)NCCCCCC(=O)Nc1cccc2cccnc12
c.) CCCOC(=O)c1ccc(O)cc1
d.) N=C(N)c1cccc(CC(CC(=O)N2CCNCC2)NS(=O)(=O)c2ccc3ccccc3c2)c1
e.) Nc1nc(=O)c2ncn(COC(CO)CO)c2[nH]1
Answer: c |
|
N-Acetylglycine Phenethylamide (7) | CC(=O)NCC(=O)NCCc1ccccc1 | -4.659778 | test | CC(=O)NCC(=O)NCCc1ccccc1 | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | BZJOLOZPKTYROY-UHFFFAOYSA-N | 2-acetamido-N-(2-phenylethyl)acetamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, or c without using any additional words.
Options:
a CC(=O)NCC(=O)NCCc1ccccc1
b COCCCOc1ccc(-c2nccc(-c3cc4c([nH]3)C3(CCCNC3)CNC4=O)n2)cn1
c Cn1c(N2CCN(CCCN3c4ccccc4Sc4ccc(C(=O)O)cc43)CC2)cc(=O)n(C)c1=O
Answer: a |
|
N-Acetyl-D-leucine Phenethylamide (10) | CC(=O)N[C@H](CC(C)C)C(=O)NCCc1ccccc1 | -4.513246 | test | CC(=O)N[C@H](CC(C)C)C(=O)NCCc1ccccc1 | [C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | UQRRAVPPYXIXRC-OAHLLOKOSA-N | (2R)-2-acetamido-4-methyl-N-(2-phenylethyl)pentanamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, c, d, or e without using any additional words.
Options:
a CC(=O)N[C@H](CC(C)C)C(=O)NCCc1ccccc1
b N=C(N)c1cccc(CC(CC(=O)N2CCCC(C(=O)O)C2)NS(=O)(=O)c2ccc3ccccc3c2)c1
c COC(=O)c1c(F)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1
d CN1C(=O)CC(N2CCN(CC/C=C3/c4ccccc4COc4ccc(C(=O)O)cc43)CC2)N(C)C1=O
e CN(C)CCOC(c1ccccc1)c1ccccc1
Answer: a |
|
30d | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(C3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 | -5.79794 | test | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(C3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 | [O][=C][Branch2][Branch1][=Branch1][N][C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][N][C][C][C][C][Ring2][Ring1][S][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | QBTIOECDQQPIDD-GDLZYMKVSA-N | N-[1-[[(2R)-1-[[1-(oxan-4-yl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, c, or d without using any other words.
Options:
a. O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(C3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1
b. CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C
c. C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C1=O
d. CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(N)=O
Answer: a |
|
32b | COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1 | -4.888028 | test | COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1 | [C][O][C][=C][C][=C][C][Branch2][Branch1][=Branch2][O][C@@H1][C][C@H1][C][=Branch1][C][=O][N][C@][Branch2][Ring1][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C@H1][Ring1][N][/C][=C][\C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][O][C][Ring2][Ring1][=C][=C][C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][S][Ring1][Branch2][=N][C][Ring2][Ring2][=N][=C][Ring2][Ring2][P] | SQRWDJFVRRUGCD-PEYMYBIGSA-N | (1R,4R,6S,7Z,15R,17R)-N-cyclopropylsulfonyl-17-[7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, c, or d without using any other words.
Options:
a. CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21
b. COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1
c. c1csc([C@]23CNC[C@H]2C3)c1
d. CC(C)S(=O)(=O)n1c(N)nc2ccc(/C(=C/C(N)=O)c3c(F)c(F)c(F)c(F)c3F)cc21
Answer: b |
|
cyclo[Trp-Ala-Gly-Gly-Asp-Ala] | CC1NC(=O)C(CC(=O)O)NC(=O)CNC(=O)CNC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC1=O | -7.030758 | test | CC1NC(=O)C(CC(=O)O)NC(=O)CNC(=O)CNC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC1=O | [C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][Ring2][Ring2][=Branch1][=O] | ROCLNPMDNXXUSB-UHFFFAOYSA-N | 2-[8-(1H-indol-3-ylmethyl)-5,11-dimethyl-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]aceticacid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a, b, c, or d without using any additional words.
Options:
a.) Cc1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1
b.) CC1NC(=O)C(CC(=O)O)NC(=O)CNC(=O)CNC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC1=O
c.) C#CC#CC/C=C\CCCCCC(C)=O
d.) COc1cccc(-n2c(=O)n(Cc3ccccc3C#N)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F
Answer: b |
|
22 | Cc1ccc(NC(=O)c2nscc2NCc2ccncc2)cc1C(F)(F)F | -5.229574 | test | Cc1ccc(NC(=O)c2nscc2NCc2ccncc2)cc1C(F)(F)F | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=N][S][C][=C][Ring1][Branch1][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | RSGWIQGBPJPOEK-UHFFFAOYSA-N | N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, c, or d without using any other words.
Options:
a COc1ccc2c(=O)cc(-c3ccccc3)oc2c1
b CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@@]4(C)C3[C@@H](O)C[C@]12C
c CC(=O)N[C@@H](C(=O)NCCc1ccccc1)C(C)C
d Cc1ccc(NC(=O)c2nscc2NCc2ccncc2)cc1C(F)(F)F
Answer: d |
|
5-chlorosalicylic acid | O=C(O)c1cc(Cl)ccc1O | -4.98 | test | O=C(O)c1cc(Cl)ccc1O | [O][=C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O] | NKBASRXWGAGQDP-UHFFFAOYSA-N | 5-chloro-2-hydroxybenzoicacid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a, b, c, or d without using any additional words.
Options:
a. O=C(O)c1cc(Cl)ccc1O
b. CC(C)[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(C(C)(C)C)c1)N(C)C(=O)[C@@H](N)Cc1ccccc1
c. COc1ccc(-c2oc3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)cc1
d. COC(=O)C(C)NP(=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccc(Br)cc1
Answer: a |
|
(-)-epicatechin | Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2 | -6.22 | test | Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2 | [O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][Branch1][C][O][C][Ring1][S] | PFTAWBLQPZVEMU-UHFFFAOYSA-N | 2-(3,4-dihydroxycyclohexa-1,3,5-trien-1-yl)-3,4-dihydro-2H-chromene-3,5,7-triol | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a or b without using any other words.
Options:
a) Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2
b) CN1C2CC[C@@H]1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2
Answer: a |
|
dexamethasone b D glucuronide | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O | -6.12 | test | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O | [C][C@@H1][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][F][C@@H1][Branch1][C][O][C][C@][Ring2][Ring1][C][Branch1][C][C][C@@][Ring2][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O][C@H1][O][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][O][O] | UBHXMSIBGRGDSX-DCSHZXMSSA-N | (2R,3R,4R,5S,6S)-6-[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, c, or d without using any additional words.
Options:
(a) Nc1ccncc1
(b) N=C(N)c1cccc(CC(CC(=O)N2CCC(C(=O)O)CC2)NS(=O)(=O)c2ccc3ccccc3c2)c1
(c) C=C[C@H]1CN2CC[C@H]1C[C@@H]2C(O)c1ccnc2ccc(OC)cc12
(d) C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O
Answer: d |
|
glycine-valine acyclovir | CC(=O)C(NC(=O)CN)c1ccc(O)cc1 | -5.28 | test | CC(=O)C(NC(=O)CN)c1ccc(O)cc1 | [C][C][=Branch1][C][=O][C][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | MMNYDRYPRMBCRF-UHFFFAOYSA-N | 2-azanyl-N-[1-(4-hydroxyphenyl)-2-oxidanylidene-propyl]ethanamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, c, d, or e without using any additional words.
Options:
a. CC(C(=O)O)c1ccc2c(c1)Cc1cccnc1O2
b. O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1/C=C/Br
c. CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)N1CCOCC1)C(C)C)C(=O)C(F)(F)C(F)(F)F
d. CC(=O)C(NC(=O)CN)c1ccc(O)cc1
e. Cn1c(N2CCCN(CCCN3c4ccccc4Sc4ccc(CC(=O)O)cc43)CC2)cc(=O)n(C)c1=O
Answer: d |
|
guanabenz | NC(N)=N/N=C/c1c(Cl)cccc1Cl | -4.68 | test | NC(N)=N/N=C/c1c(Cl)cccc1Cl | [N][C][Branch1][C][N][=N][/N][=C][/C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | WDZVGELJXXEGPV-YIXHJXPBSA-N | 2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a or b without using any additional words.
Options:
a.) COc1ccc2c(=O)cc(-c3ccccc3)oc2c1
b.) NC(N)=N/N=C/c1c(Cl)cccc1Cl
Answer: b |
|
acetaminophen | CC(=O)Nc1ccc(O)cc1 | -4.44 | test | CC(=O)Nc1ccc(O)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | RZVAJINKPMORJF-UHFFFAOYSA-N | N-(4-hydroxycyclohexa-1,3,5-trien-1-yl)acetamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a, b, or c without using any additional words.
Options:
[a] CC(=O)Nc1ccc(O)cc1
[b] Cc1nccc2c1[nH]c1ccccc12
[c] O=C(CS)NCCCCCC(=O)Nc1cccc2cccnc12
Answer: a |
|
lisinopril | NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O | -7.39 | test | NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O | [N][C][C][C][C][C@H1][Branch2][Ring1][Ring2][N][C@@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O] | RLAWWYSOJDYHDC-BZSNNMDCSA-N | (2S)-1-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a, b, or c without using any other words.
Options:
a CN(C)CCCN1c2ccccc2Sc2ccccc21
b CN1C(=O)CC(N2CCN(CC/C=C3/c4ccccc4COc4ccc(C(=O)O)cc43)CC2)N(C)C1=O
c NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O
Answer: c |
|
naproxen | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | -4.66 | test | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | [C][O][C][=C][C][=C][C][=C][Branch1][#Branch2][C@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][Ring1][O][=C][Ring1][#C] | CMWTZPSULFXXJA-VIFPVBQESA-N | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a, b, c, or d without using any other words.
Options:
a) C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
b) COc1ccc2cc([C@H](C)C(=O)O)ccc2c1
c) CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O
d) c1ccc(-c2ccncc2)cc1
Answer: b |
|
naproxen sodium | COc1ccc2cc(C(C)C(=O)[O-])ccc2c1.[Na+] | -4.33 | test | COc1ccc2cc(C(C)C(=O)[O-])ccc2c1.[Na+] | [C][O][C][=C][C][=C][C][=C][Branch1][#Branch2][C][Branch1][C][C][C][=Branch1][C][=O][O-1][C][=C][C][Ring1][O][=C][Ring1][#C].[Na+1] | CDBRNDSHEYLDJV-UHFFFAOYSA-M | sodium;2-(6-methoxynaphthalen-2-yl)propanoate | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a, b, or c without using any additional words.
Options:
a COc1ccc2cc(C(C)C(=O)[O-])ccc2c1.[Na+]
b CC1(C)S[C@]2(C)[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O
c CCOC(=O)c1ccc2c(C(C(=O)NS(=O)(=O)c3ccc(C)cc3OC)c3ccc4c(c3)OCO4)cn(C)c2c1
Answer: a |
|
N-carbobenzoxy-tryptophan | O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)OCc1ccccc1 | -5.8 | test | O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)OCc1ccccc1 | [O][=C][Branch2][Ring1][Branch2][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | AHYFYYVVAXRMKB-UHFFFAOYSA-N | 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a or b without using any other words.
Options:
[a] NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O
[b] O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)OCc1ccccc1
Answer: b |
|
sulfasalazine | O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O | -5.378171 | test | O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O | [O][=C][Branch1][C][O][C][=C][C][Branch2][Ring1][=N][/N][=N][/C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S][=C][C][=C][Ring2][Ring1][Branch2][O] | NCEXYHBECQHGNR-QZQOTICOSA-N | 2-oxidanyl-5-[(E)-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoicacid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, c, or d without using any additional words.
Options:
[a] O=c1ccc2ccc(O)cc2o1
[b] COC(=O)C(C)NP(=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccc(OC)cc1
[c] O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O
[d] C=CCc1cc(OC)c(OC(C)C(O)c2cc(O)cc(OC)c2)c(OC)c1
Answer: c |
|
benzoic acid | O=C(O)c1ccccc1 | -4.005 | test | O=C(O)c1ccccc1 | [O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | WPYMKLBDIGXBTP-UHFFFAOYSA-N | benzoicacid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, or c without using any other words.
Options:
a.) O=C(O)c1ccccc1
b.) Cn1c(N2CCN(CCCN3c4ccccc4Sc4ccc(C(=O)O)cc43)CC2)cc(=O)n(C)c1=O
c.) O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O
Answer: a |
|
cephalexin | CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1 | -6.36 | test | CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1 | [C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][S][C][Ring2][Ring1][#Branch1] | ZAIPMKNFIOOWCQ-UHFFFAOYSA-N | 7-[(2-amino-2-phenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a or b without using any additional words.
Options:
a: CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1
b: O=C(CO)N1CCN(c2ccc(N3C[C@H](CNC(=S)C4CC4)OC3=O)cc2F)CC1
Answer: a |
|
cephalexin acetylated | CC(=O)NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(C)CSC12)c1ccccc1 | -6.63 | test | CC(=O)NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(C)CSC12)c1ccccc1 | [C][C][=Branch1][C][=O][N][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][C][C][S][C][Ring1][=N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | KTXQFHYQZFMPJG-UHFFFAOYSA-N | 7-[(2-acetamido-2-phenyl-ethanoyl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a or b without using any other words.
Options:
[a] N=C(N)c1ccc2[nH]c(Cc3nc4ccccc4[nH]3)nc2c1
[b] CC(=O)NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(C)CSC12)c1ccccc1
Answer: b |
|
7 | CNS(=O)(=O)c1ccc(Cl)cc1 | -4.186419 | test | CNS(=O)(=O)c1ccc(Cl)cc1 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | PJHYEBDREIJPKX-UHFFFAOYSA-N | 4-chloro-N-methylbenzenesulfonamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, c, or d without using any other words.
Options:
a CC(=O)c1ccc2c(c1)N1C(=O)OCC1CC2
b COCCn1cc(C(C(=O)NS(=O)(=O)c2ccc(C)cc2OC)c2ccc3c(c2)OCO3)c2ccc(F)cc21
c CNS(=O)(=O)c1ccc(Cl)cc1
d CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC/C=C/c1ccc(OC)c(OC)c1
Answer: c |
|
Metoprolol | COCCc1ccc(OCC(O)CNC(C)C)cc1 | -4.349301 | test | COCCc1ccc(OCC(O)CNC(C)C)cc1 | [C][O][C][C][C][=C][C][=C][Branch1][=C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][C][=C][Ring1][#C] | IUBSYMUCCVWXPE-UHFFFAOYSA-N | 1-[4-(2-methoxyethyl)cyclohexa-1,3,5-trien-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, c, or d without using any additional words.
Options:
a. CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(=O)[nH]n3C)CS[C@H]12)c1csc(N)n1
b. COCCc1ccc(OCC(O)CNC(C)C)cc1
c. C[C@@H]1O[C@@H](c2ccc(N(O)O)cc2)OC[C@H]1NC(=O)Cc1ccccc1
d. CCOC(=O)COc1ccc(C(=O)CN2CCN(C3CCN(C(=O)OCOC(=O)C(C)(C)C)CC3)CC2=O)cc1
Answer: b |
|
2h | CCOC(=O)c1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1 | -4.60206 | test | CCOC(=O)c1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=C][C][=C][Branch2][Ring1][=C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch2][C][Branch1][C][F][=C][Ring2][Ring1][=Branch1] | NDUITOJEZKAZBB-LLVKDONJSA-N | ethyl 2,4-dichloro-6-[3-fluoro-4-[(1R)-1-[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]benzoate | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a or b without using any other words.
Options:
a.) CCOC(=O)c1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1
b.) CC(C)C[C@H]1NC(=O)[C@@H](CC2CCCCC2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OC1=O
Answer: a |
|
1 | COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1 | -4.468521 | test | COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][=C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch2][C][Branch1][C][F][=C][Ring2][Ring1][=Branch1] | WZZIQHIQMWJNLU-LLVKDONJSA-N | methyl 2-chloro-6-[3-fluoro-4-[(1R)-1-[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]benzoate | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a or b without using any other words.
Options:
a: CCOC(=O)c1ccc(O)cc1
b: COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1
Answer: b |
|
883-(cis)-[2-(E-Phenylvinyl)-1,3-dioxan-5-yl]phenylacetamide (14a) | C=C(c1ccccc1)C1OCC(NC(=O)Cc2ccccc2)CO1 | -5.049879 | test | C=C(c1ccccc1)C1OCC(NC(=O)Cc2ccccc2)CO1 | [C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][S] | MXBNEZNLOFMGED-UHFFFAOYSA-N | 2-phenyl-N-[2-(1-phenylethenyl)-1,3-dioxan-5-yl]ethanamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a, b, c, d, or e without using any other words.
Options:
a.) Nc1nc(O)c2ncn([C@@H]3C[C@H](CO)[C@H]3CO)c2n1
b.) C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C1=O
c.) CCC(C)C(=O)O[C@@H]1C[C@@H](O)C=C2C=C[C@@H](C)[C@@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@@H]21
d.) C=C(c1ccccc1)C1OCC(NC(=O)Cc2ccccc2)CO1
e.) Nc1cc(-c2ccncc2)c[nH]c1=O
Answer: d |
|
107-zidovudine | Cc1cn([C@H]2C[C@H]([N-][NH+]=N)[C@@H](CO)O2)c(=O)[nH]c1=O | -5.185087 | test | Cc1cn([C@H]2C[C@H]([N-][NH+]=N)[C@@H](CO)O2)c(=O)[nH]c1=O | [C][C][=C][N][Branch1][P][C@H1][C][C@H1][Branch1][Ring2][N-1][NH1+1][=N][C@@H1][Branch1][Ring1][C][O][O][Ring1][#Branch2][C][=Branch1][C][=O][NH1][C][Ring1][P][=O] | IHOBRAYMCPRMCF-XLPZGREQSA-N | [(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-iminoazaniumylazanide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a or b without using any other words.
Options:
a: CCc1cc(C(N)=S)ccn1
b: Cc1cn([C@H]2C[C@H]([N-][NH+]=N)[C@@H](CO)O2)c(=O)[nH]c1=O
Answer: b |
|
174-Guanabenz | NC(N)=N/N=C/c1c(Cl)cccc1Cl | -4.363412 | test | NC(N)=N/N=C/c1c(Cl)cccc1Cl | [N][C][Branch1][C][N][=N][/N][=C][/C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | WDZVGELJXXEGPV-YIXHJXPBSA-N | 2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a or b without using any other words.
Options:
a.) NC(=O)C(N)Cc1c[nH]c2ccccc12
b.) NC(N)=N/N=C/c1c(Cl)cccc1Cl
Answer: b |
|
205-Fluoxetine | CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 | -4.929962 | test | CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 | [C][N][C][C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | RTHCYVBBDHJXIQ-UHFFFAOYSA-N | N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, c, or d without using any other words.
Options:
a: CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1
b: CCCCC(C)OC(=O)COc1ccc(C(=O)CN2CCN(C3CCNCC3)CC2=O)cc1
c: CN1CCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccc4)nc4ccccc34)C[C@H]2C1=O
d: COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
Answer: a |
|
285-Ephedrine | CN[C@@H](C)[C@@H](O)c1ccccc1 | -4.9914 | test | CN[C@@H](C)[C@@H](O)c1ccccc1 | [C][N][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | KWGRBVOPPLSCSI-WCBMZHEXSA-N | (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a or b without using any additional words.
Options:
[a] CN[C@@H](C)[C@@H](O)c1ccccc1
[b] COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2C)cc1OC
Answer: a |
|
403-Atorvastatin | CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@H](O)C[C@H](O)CC(=O)O | -5.309804 | test | CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@H](O)C[C@H](O)CC(=O)O | [C][C][Branch1][C][C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring2][Ring1][O][C][C][C@H1][Branch1][C][O][C][C@H1][Branch1][C][O][C][C][=Branch1][C][=O][O] | XUKUURHRXDUEBC-SVBPBHIXSA-N | (3S,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a, b, c, or d without using any additional words.
Options:
a) CCOC(=O)COc1ccc(C(=O)CN2CCN(C3CCN(C(=O)OC(OC(=O)C(C)(C)C)C(C)(C)C)CC3)CC2=O)cc1
b) Cc1nccc2c1[nH]c1cc(O)ccc12
c) C[C@@H]1O[C@@H](c2ccc(Cl)cc2)OC[C@H]1NC(=O)Cc1ccccc1
d) CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@H](O)C[C@H](O)CC(=O)O
Answer: d |
|
Amphetamine sulfate | C[C@H](N)Cc1ccccc1 | -4.39 | test | C[C@H](N)Cc1ccccc1 | [C][C@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | KWTSXDURSIMDCE-QMMMGPOBSA-N | (2S)-1-phenylpropan-2-amine | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a or b without using any other words.
Options:
a: C[C@H](N)Cc1ccccc1
b: CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OC1=O
Answer: a |
|
Artesunate | CC1CCC2C(C)C(OC(=O)CCC(=O)O)OC3OC4(C)CCC1C32OO4 | -5.4 | test | CC1CCC2C(C)C(OC(=O)CCC(=O)O)OC3OC4(C)CCC1C32OO4 | [C][C][C][C][C][C][Branch1][C][C][C][Branch1][=N][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][O][C][O][C][Branch1][C][C][C][C][C][Ring2][Ring1][#Branch1][C][Ring1][Branch2][Ring2][Ring1][Branch1][O][O][Ring1][Branch2] | FIHJKUPKCHIPAT-UHFFFAOYSA-N | 4-oxo-4-[(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl)oxy]butanoic acid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, or c without using any other words.
Options:
a: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
b: CNC(=O)[C@H](NC(=O)[C@](O)(Cc1ccccc1)CN(Cc1ccc(Br)cc1)NC(=O)[C@H](CC(=O)OC)C(C)(C)C)C(C)(C)C
c: CC1CCC2C(C)C(OC(=O)CCC(=O)O)OC3OC4(C)CCC1C32OO4
Answer: c |
|
Atorvastatin | CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O | -5.31 | test | CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O | [C][C][Branch1][C][C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring2][Ring1][O][C][C][C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O] | XUKUURHRXDUEBC-KAYWLYCHSA-N | (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a, b, c, d, or e without using any additional words.
Options:
a. C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=Cc5oncc5C[C@@]4(C)[C@@H]3CC[C@]21C
b. CN(C)C(=O)OC1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O
c. CNC(=O)C(c1ccc2nc(N)n(C(C)C)c2c1)c1cccc(F)c1F
d. CC(C)CNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c1cc(CCC2C[C@@H]2C)cc(N(C)S(C)(=O)=O)c1
e. CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O
Answer: e |
|
Bisoprolol | CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1 | -4.76 | test | CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1 | [C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][O][C][O][C][C][O][C][Branch1][C][C][C][C][=C][Ring1][=C] | VHYCDWMUTMEGQY-UHFFFAOYSA-N | 1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, c, or d without using any other words.
Options:
a) CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1
b) O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
c) COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC
d) O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Answer: a |
|
Bupropion | CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 | -3.951954 | test | CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 | [C][C][Branch1][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | SNPPWIUOZRMYNY-UHFFFAOYSA-N | 2-(tert-butylamino)-1-(3-chlorocyclohexa-2,4,6-trien-1-yl)propan-1-one | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, or c without using any additional words.
Options:
a. CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
b. O=c1c(-c2ccc(O)cc2)coc2c(C3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12
c. CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1
Answer: a |
|
Cetirizine | O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | -5.5 | test | O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | [O][=C][Branch1][C][O][C][O][C][C][N][C][C][N][Branch2][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2] | ZKLPARSLTMPFCP-UHFFFAOYSA-N | 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]aceticacid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a, b, c, d, or e without using any additional words.
Options:
a CC(=O)c1ccc(N2CC(CO)OC2=O)cc1
b CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(C)=O
c CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O
d O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
e C=C(c1ccccc1)C1OCC(N)CO1
Answer: d |
|
Chloroquine | CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | -4.55 | test | CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | [C][C][N][Branch1][Ring1][C][C][C][C][C][C][Branch1][C][C][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1] | WHTVZRBIWZFKQO-UHFFFAOYSA-N | 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a or b without using any other words.
Options:
a) O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1
b) CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Answer: b |
|
Chlorzoxazone | O=c1[nH]c2cc(Cl)ccc2o1 | -4.19 | test | O=c1[nH]c2cc(Cl)ccc2o1 | [O][=C][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2] | TZFWDZFKRBELIQ-UHFFFAOYSA-N | 5-chloro-3H-1,3-benzoxazol-2-one | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, c, d, or e without using any additional words.
Options:
(a) CCCCCCC(N)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
(b) CCOC(=O)COc1ccc(C(=O)CN2CCN(C3CCN(C(=O)OC(C)OC(C)=O)CC3)CC2=O)cc1
(c) O=c1[nH]c2cc(Cl)ccc2o1
(d) C/C=C/C#CCC/C=C\C=C\C(=O)NCC(C)C
(e) COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
Answer: c |
|
Dextromethorphan | COc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3 | -4.74 | test | COc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][Ring2][C][Ring1][O][N][Branch1][C][C][C][C][Ring1][N] | MKXZASYAUGDDCJ-UHFFFAOYSA-N | 4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, c, or d without using any other words.
Options:
a. CNCCN[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1)C(C)C
b. COc1ccc(CN(CCN(C)C)c2ccccn2)cc1
c. NC(N)=NN=Cc1c(Cl)cccc1Cl
d. COc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3
Answer: d |
|
Enalaprilat | C[C@H](N[C@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O | -5.88 | test | C[C@H](N[C@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O | [C][C@H1][Branch2][Ring1][Ring2][N][C@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][O] | LZFZMUMEGBBDTC-NWANDNLSSA-N | (2R)-1-[(2S)-2-[[(1R)-1-carboxy-3-phenylpropyl]amino]propanoyl]pyrrolidine-2-carboxylic acid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a or b without using any other words.
Options:
[a] C[C@H](N[C@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O
[b] O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Answer: a |
|
Fluoxetine | CNCCC(Oc1ccc(C)cc1)c1ccccc1 | -4.55 | test | CNCCC(Oc1ccc(C)cc1)c1ccccc1 | [C][N][C][C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | HBZGYXADKHAYTM-UHFFFAOYSA-N | N-methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, or c without using any other words.
Options:
a. CNCCC(Oc1ccc(C)cc1)c1ccccc1
b. CCN(CC)c1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1
c. CC(=O)N[C@H](C)C(=O)NCCc1ccccc1
Answer: a |
|
Lamivudine | Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1 | -5.42 | test | Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1 | [N][C][C][=C][N][Branch1][N][C@@H1][C][S][C@H1][Branch1][Ring1][C][O][O][Ring1][#Branch1][C][=Branch1][C][=O][N][=Ring1][=C] | JTEGQNOMFQHVDC-NKWVEPMBSA-N | 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, c, or d without using any additional words.
Options:
a. Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1
b. Cc1nccc2c1[nH]c1ccccc12
c. CC(C)C[C@H]1NC(=O)[C@@H](CC2CCCCC2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OC1=O
d. CNC(=O)C(c1ccc2nc(N)n(C(C)C)c2c1)c1cccc(F)c1F
Answer: a |
|
Lomefloxacin | CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21 | -4.8 | test | CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21 | [C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][N][N][C][C][N][C][Branch1][C][C][C][Ring1][#Branch1][C][Branch1][C][F][=C][Ring1][#C][Ring2][Ring1][#Branch1] | ZEKZLJVOYLTDKK-UHFFFAOYSA-N | 1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylicacid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a or b without using any additional words.
Options:
a. CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21
b. NC(N)=N/N=C/c1c(Cl)cccc1Cl
Answer: a |
|
Nelfinavir | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | -6.15 | test | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | [C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][N][C][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][C][C@H1][Ring1][#Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C] | QAGYKUNXZHXKMR-HKWSIXNMSA-N | (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, or c without using any additional words.
Options:
a Cn1cncc1CN1CC(N(Cc2cccc(-n3cccc3)c2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21
b Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
c N=C(N)NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Answer: b |
|
Olopatadine | CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21 | -5.01 | test | CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21 | [C][N][Branch1][C][C][C][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][Ring2][Ring1][Ring1] | JBIMVDZLSHOPLA-LSCVHKIXSA-N | 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, or c without using any additional words.
Options:
a: CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21
b: c1ccc(-c2cccnc2)cc1
c: NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1
Answer: a |
|
Promazine | CN(C)CCCN1c2ccccc2Sc2ccccc21 | -4.38 | test | CN(C)CCCN1c2ccccc2Sc2ccccc21 | [C][N][Branch1][C][C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | ZGUGWUXLJSTTMA-UHFFFAOYSA-N | N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, or c without using any other words.
Options:
[a] CN(C)CCCN1c2ccccc2Sc2ccccc21
[b] CC(C)CC(N)C(=O)NCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@H]1O
[c] CN(C)CC1CCCCC1(O)c1cccc(O)c1
Answer: a |
|
Rofecoxib | NS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | -4.62 | test | NS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][N][C][=C][Ring2][Ring1][C] | KKUOWOQXXDOGDC-UHFFFAOYSA-N | 4-(5-oxo-4-phenyl-2H-furan-3-yl)benzenesulfonamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, c, d, or e without using any other words.
Options:
a: COC(=O)c1ccccc1-c1c2ccc(=N)cc-2oc2cc(N)ccc12
b: CN[C@@H](CCSC)C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
c: NS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1
d: C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O
e: Cc1ccnc2nc(Cc3nc4ccc(C(=N)N)cc4[nH]3)[nH]c12
Answer: c |
|
Sorivudine (BVaraU) | O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1/C=C/Br | -5.39 | test | O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1/C=C/Br | [O][=C][NH1][C][=Branch1][C][=O][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O][C][=C][Ring1][S][/C][=C][/Br] | GCQYYIHYQMVWLT-HQNLTJAPSA-N | 5-[(E)-2-bromoethenyl]-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a or b without using any other words.
Options:
[a] CC1(C)S[C@]2(C)[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O
[b] O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1/C=C/Br
Answer: b |
|
Zomepirac | Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1 | -4.61 | test | Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1 | [C][C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][Branch1][C][C][C][=Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | ZXVNMYWKKDOREA-UHFFFAOYSA-N | 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, or c without using any additional words.
Options:
a Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1
b CCCc1nn(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)[nH]c12
c Nc1nc(O)c2ncn([C@@H]3C[C@H](CO)[C@H]3CO)c2n1
Answer: a |
|
N-Acetyl-D-valyl-D-phenylalanine N-Methylamide (3a) | CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(C)=O)C(C)C | -5.390024 | test | CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(C)=O)C(C)C | [C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Branch1][C][C][C] | XXPVTTLGDCSDFS-HUUCEWRRSA-N | (2R)-2-acetamido-3-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, c, d, or e without using any additional words.
Options:
a.) Cc1ccc(S(=O)(=O)NC(=O)C(c2ccc3c(c2)OCO3)c2cn(C)c3cc(CO)ccc23)cc1
b.) Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2
c.) N=C(NO)c1cccc(CC(CC(=O)N2CCC(C(=O)O)CC2)NS(=O)(=O)c2ccc3ccccc3c2)c1
d.) CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(C)=O)C(C)C
e.) CCOC(=O)COc1ccc(C(=O)CN2CCN(C3CCN(C(=O)OC(C)OC(C)=O)CC3)CC2=O)cc1
Answer: d |
|
Betaxolol ester | CC(C)NCC(COc1ccc(CCOCC2CC2)cc1)OC(=O)C1CC1 | -4.130081 | test | CC(C)NCC(COc1ccc(CCOCC2CC2)cc1)OC(=O)C1CC1 | [C][C][Branch1][C][C][N][C][C][Branch2][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][C][C][O][C][C][C][C][Ring1][Ring1][C][=C][Ring1][=N][O][C][=Branch1][C][=O][C][C][C][Ring1][Ring1] | RMCCVMBYOLNQFN-UHFFFAOYSA-N | [1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-yl] cyclopropanecarboxylate | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, c, d, or e without using any additional words.
Options:
a CC(C)NCC(COc1ccc(CCOCC2CC2)cc1)OC(=O)C1CC1
b ON1C=CC=C(c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)C1
c Cc1cnc(N/C(O)=C2/C(=O)c3ccccc3S(=O)(=O)N2C)s1
d COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1
e CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O
Answer: a |
|
Epinephrine | CNCC(O)c1ccc(O)c(O)c1 | -6.018865 | test | CNCC(O)c1ccc(O)c(O)c1 | [C][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2] | UCTWMZQNUQWSLP-UHFFFAOYSA-N | 4-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-1,3,5-triene-1,2-diol | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, c, or d without using any additional words.
Options:
(a) CNCC(O)c1ccc(O)c(O)c1
(b) CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1
(c) Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2
(d) COc1ccc2c(=O)cc(-c3ccccc3)oc2c1
Answer: a |
|
Fleroxacin | CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1 | -4.809974 | test | CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1 | [C][N][C][C][N][Branch2][Ring2][Ring1][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][Ring2][C][C][F][C][Ring1][=N][=C][Ring2][Ring1][C][F][C][C][Ring2][Ring1][=Branch2] | XBJBPGROQZJDOJ-UHFFFAOYSA-N | 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell permeability.
Constraint: You must select all options from a, b, c, d, or e without using any other words.
Options:
a: COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)nc(-c3nc(C(C)C)cs3)nc2c1
b: CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1
c: O=C(COc1ccc(C(=O)CN2CCN(C3CCN(C(=O)OC/C=C4/OC(=O)c5ccccc54)CC3)CC2=O)cc1)OC1CCCCC1
d: CC1NC(=O)C(CC(=O)O)NC(=O)CNC(=O)CNC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC1=O
e: Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ccc(C#N)cc2)CC2CCCCC2)c1
Answer: b |
|
BVaraU | O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1/C=C/Br | -5.39897 | test | O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1/C=C/Br | [O][=C][NH1][C][=Branch1][C][=O][N][Branch1][S][C@H1][O][C@@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][=C][Ring1][S][/C][=C][/Br] | GCQYYIHYQMVWLT-AADLVWAJSA-N | 5-[(E)-2-bromoethenyl]-1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a, b, or c without using any other words.
Options:
a: O=C(O)CC(CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)C1CNc2ccccc2C1
b: NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1
c: O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1/C=C/Br
Answer: c |
|
H 95/71 | CC(C)NCC(O)COc1ccc(NC=O)cc1 | -5.427984 | test | CC(C)NCC(O)COc1ccc(NC=O)cc1 | [C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][Ring2][N][C][=O][C][=C][Ring1][=Branch2] | XRTJUQUBUGUQLA-UHFFFAOYSA-N | N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]formamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 permeability.
Constraint: You must select all options from a, b, c, or d without using any other words.
Options:
(a) CN[C@@H](C)[C@@H](O)c1ccccc1
(b) CC(C)NCC(O)COc1ccc(NC=O)cc1
(c) O=C1NCC2(CCCNC2)c2[nH]c(-c3ccnc(-c4cc5ccccc5o4)n3)cc21
(d) CCCCOc1cccc(NC(=O)OCCN2CCCC2)c1
Answer: b |
|
PNU-184148 | O=C(CO)N1CCN(c2ccc(N3C[C@H](CNC(=S)C4CC4)OC3=O)cc2F)CC1 | -4.430899 | test | O=C(CO)N1CCN(c2ccc(N3C[C@H](CNC(=S)C4CC4)OC3=O)cc2F)CC1 | [O][=C][Branch1][Ring1][C][O][N][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C@H1][Branch1][N][C][N][C][=Branch1][C][=S][C][C][C][Ring1][Ring1][O][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1][F][C][C][Ring2][Ring1][#Branch2] | GBGSQPWVUKYRIX-HNNXBMFYSA-N | N-[[(5S)-3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarbothioamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a, b, c, d, or e without using any additional words.
Options:
a Fc1cccc2c1O[C@H]1CNC[C@@H]1O2
b C=CCNC(=O)C(=O)C(CCC)NC(=O)C1C2C(CN1C(=O)C(NC(=O)NC(C(=O)C(C)C)C(C)C)C(C)(C)C)C2(C)C
c O=C(CO)N1CCN(c2ccc(N3C[C@H](CNC(=S)C4CC4)OC3=O)cc2F)CC1
d CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](N)C3=CCC=CC3)[C@H]2SC1
e CCc1cc(C(N)=S)ccn1
Answer: c |
|
PNU-184421 | CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C#N)nc3)c(F)c2)C(=O)O1 | -4.378376 | test | CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C#N)nc3)c(F)c2)C(=O)O1 | [C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][N][=C][Ring1][Branch2][C][Branch1][C][F][=C][Ring1][#C][C][=Branch1][C][=O][O][Ring2][Ring1][Branch1] | FIMPFIHOGOZRIN-HNNXBMFYSA-N | N-[[(5S)-3-[4-(6-cyanopyridin-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a, b, c, or d without using any other words.
Options:
(a) CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C#N)nc3)c(F)c2)C(=O)O1
(b) O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc(O)c12
(c) NC(N)=N/N=C/c1c(Cl)cccc1Cl
(d) COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC
Answer: a |
|
PNU-179399 | NC(=S)NC[C@H]1CN(c2ccc(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1 | -5.888028 | test | NC(=S)NC[C@H]1CN(c2ccc(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1 | [N][C][=Branch1][C][=S][N][C][C@H1][C][N][Branch2][Ring1][N][C][=C][C][=C][Branch1][#C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2][C][Branch1][C][F][=C][Ring1][#C][C][=Branch1][C][=O][O][Ring2][Ring1][Branch1] | OXTPTXFMDKIQLD-LBPRGKRZSA-N | [(5S)-3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylthiourea | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a, b, or c without using any additional words.
Options:
a.) NC(=S)NC[C@H]1CN(c2ccc(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1
b.) O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O
c.) CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCN(C(=N)N)CC1
Answer: a |
|
6MAQH (W2) | O=C(CS)NCCCCCC(=O)Nc1cccc2cccnc12 | -4.849622 | test | O=C(CS)NCCCCCC(=O)Nc1cccc2cccnc12 | [O][=C][Branch1][Ring1][C][S][N][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | KQBNGYXGCIUPHR-UHFFFAOYSA-N | N-quinolin-8-yl-6-[(2-sulfanylacetyl)amino]hexanamide | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest {permeability__names__noun}.
Constraint: You must select all options from {%multiple_choice_enum%2-5%aA1} without using any {#other|additional!} words.
Options:
{SMILES%permeability%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Rank these molecules from lowest to highest Caco-2 cell effective permeability.
Constraint: You must select all options from a or b without using any other words.
Options:
(a) O=C(CS)NCCCCCC(=O)Nc1cccc2cccnc12
(b) O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21
Answer: a |
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