can_smiles stringlengths 13 465 | inchi stringlengths 49 1.29k | inchikey stringlengths 27 27 | iupac stringlengths 13 1.08k ⌀ | prompt stringlengths 86 141 | completion stringlengths 12 1.65k | task_id stringclasses 4
values | task_type stringclasses 1
value | input_rep_type stringclasses 1
value | input_rep imagewidth (px) 300 300 | output_rep_type stringclasses 4
values | output_rep stringlengths 12 1.65k | qa_template stringclasses 6
values |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O | InChI=1S/C36H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(37)38/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-35H2,1H3,(H,37,38)/b4-3-,7-6-,10-9-,13-12-,16-15- | HYQBLGJYQBZWSR-JLNKQSITSA-N | (21Z,24Z,27Z,30Z,33Z)-hexatriaconta-21,24,27,30,33-pentaenoic acid | This image contains a molecule; give me its InChI. Output only the InChI representation, nothing else. | InChI=1S/C36H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(37)38/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-35H2,1H3,(H,37,38)/b4-3-,7-6-,10-9-,13-12-,16-15- | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C36H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(37)38/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-35H2,1H3,(H,37,38)/b4-3-,7-6-,10-9-,13-12-,16-15- | This image contains a molecule; give me its {output_rep_type}. | |
CC(C)CCC[C@@H](C)CCCOS(=O)(=O)[O-] | InChI=1S/C11H24O4S/c1-10(2)6-4-7-11(3)8-5-9-15-16(12,13)14/h10-11H,4-9H2,1-3H3,(H,12,13,14)/p-1/t11-/m1/s1 | FCHHMBXKFHPMFQ-LLVKDONJSA-M | [(4R)-4,8-dimethylnonyl] sulfate | Look at this molecular image and tell me its DeepSMILES. Just provide the DeepSMILES without any explanation. | CCC)CCC[C@@H]C)CCCOS=O)=O)[O-] | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | CCC)CCC[C@@H]C)CCCOS=O)=O)[O-] | Look at this molecular image and tell me its {output_rep_type}. | |
N[C@@H](C(=O)O)c1ccc(O)cc1 | InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m1/s1 | LJCWONGJFPCTTL-SSDOTTSWSA-N | (2R)-2-amino-2-(4-hydroxyphenyl)acetic acid | Please provide the DeepSMILES for the molecule depicted above. Please output the DeepSMILES representation only. Do not output anything else. | N[C@@H]C=O)O))ccccO)cc6 | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | N[C@@H]C=O)O))ccccO)cc6 | Please provide the {output_rep_type} for the molecule depicted above. | |
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)(O)OP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | InChI=1S/C67H112O17P2/c1-47(2)23-13-24-48(3)25-14-26-49(4)27-15-28-50(5)29-16-30-51(6)31-17-32-52(7)33-18-34-53(8)35-19-36-54(9)37-20-38-55(10)39-21-40-56(11)41-22-42-57(12)43-44-79-85(75,76)84-86(77,78)83-67-64(74)62(72)65(59(46-69)81-67)82-66-63(73)61(71)60(70)58(45-68)80-66/h23,25,27,29,31,33,35,37,39,41,43,58-74H,1... | HHYLATBINJGPSB-DJAXFCFISA-N | [(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] [hydroxy-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl] hydrogen phosphate | This image contains a molecule; give me its SELFIES. Please output the SELFIES representation only. Do not output anything else. | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C]... | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C]... | This image contains a molecule; give me its {output_rep_type}. | |
C=C(CCC=C(C)C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]12C | InChI=1S/C30H50/c1-21(2)11-9-12-22(3)23-15-19-29(7)24(23)13-14-26-28(6)18-10-17-27(4,5)25(28)16-20-30(26,29)8/h11,23-26H,3,9-10,12-20H2,1-2,4-8H3/t23-,24-,25+,26-,28+,29-,30-/m1/s1 | SEXOMBPXHYAKHY-YCJSVCQFSA-N | (5S,8R,9R,10S,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene | Look at this molecular image and tell me its InChI. Return only the InChI representation. | InChI=1S/C30H50/c1-21(2)11-9-12-22(3)23-15-19-29(7)24(23)13-14-26-28(6)18-10-17-27(4,5)25(28)16-20-30(26,29)8/h11,23-26H,3,9-10,12-20H2,1-2,4-8H3/t23-,24-,25+,26-,28+,29-,30-/m1/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C30H50/c1-21(2)11-9-12-22(3)23-15-19-29(7)24(23)13-14-26-28(6)18-10-17-27(4,5)25(28)16-20-30(26,29)8/h11,23-26H,3,9-10,12-20H2,1-2,4-8H3/t23-,24-,25+,26-,28+,29-,30-/m1/s1 | Look at this molecular image and tell me its {output_rep_type}. | |
C=C1[C@H](CO)[C@@H](O)C[C@@H]1n1cnc2c(O)nc(=N)[nH]c21 | InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1 | QDGZDCVAUDNJFG-FXQIFTODSA-N | 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one | This image contains a molecule; give me its DeepSMILES. Please output the DeepSMILES representation only. Do not output anything else. | C=C[C@H]CO))[C@@H]O)C[C@@H]5ncnccO)nc=N)[nH]c69 | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | C=C[C@H]CO))[C@@H]O)C[C@@H]5ncnccO)nc=N)[nH]c69 | This image contains a molecule; give me its {output_rep_type}. | |
CC(C)C(=O)CC(=O)[O-] | InChI=1S/C6H10O3/c1-4(2)5(7)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1 | ZXLSKTZECNUVIS-UHFFFAOYSA-M | 4-methyl-3-oxopentanoate | Convert the molecule in this image to its SELFIES. Output only the SELFIES representation, nothing else. | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O-1] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O-1] | Convert the molecule in this image to its {output_rep_type}. | |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1 | XTWYTFMLZFPYCI-KQYNXXCUSA-L | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate | This image contains a molecule; give me its InChI. Return only the InChI representation. | InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1 | This image contains a molecule; give me its {output_rep_type}. | |
CCCCCCCCC(O)CCCCCCCCC(=O)O | InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21) | PAZZVPKITDJCPV-UHFFFAOYSA-N | 10-hydroxyoctadecanoic acid | Extract the SMILES from this molecular structure image: Please output the SMILES representation only. Do not output anything else. | CCCCCCCCC(O)CCCCCCCCC(=O)O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CCCCCCCCC(O)CCCCCCCCC(=O)O | Extract the {output_rep_type} from this molecular structure image: | |
CC1(C)CC[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H]3C1 | InChI=1S/C46H76O16/c1-40(2)14-15-45-21-58-46(27(45)16-40)13-9-26-42(5)11-10-29(41(3,4)25(42)8-12-43(26,6)44(46,7)17-28(45)49)61-37-35(55)32(52)24(20-57-37)60-39-36(33(53)31(51)23(18-47)59-39)62-38-34(54)30(50)22(48)19-56-38/h22-39,47-55H,8-21H2,1-7H3/t22-,23-,24+,25+,26-,27-,28-,29+,30+,31-,32+,33+,34-,35-,36-,37+,38+,... | DYAQVNOJMUMVBF-XKXSQMESSA-N | (2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[(3S,4R,5R,6S)-4,5-dihydroxy-6-[[(1S,2R,4S,5R,8R,10S,13R,14R,17S,18R)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl]oxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol | Look at this molecular image and tell me its DeepSMILES. Return only the DeepSMILES representation. | CCC)CC[C@]CO[C@@]CC[C@@H][C@@]C)CC[C@H]O[C@@H]OC[C@H]O[C@@H]O[C@H]CO))[C@@H]O)[C@H]O)[C@H]6O[C@@H]OC[C@@H]O)[C@H]O)[C@H]6O)))))))))))))))[C@H]O)[C@H]6O))))))))CC)C)[C@@H]6CC[C@@]%10C)[C@]%14C)C[C@H]%19O))))))))))))))))[C@@H]5C9 | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | CCC)CC[C@]CO[C@@]CC[C@@H][C@@]C)CC[C@H]O[C@@H]OC[C@H]O[C@@H]O[C@H]CO))[C@@H]O)[C@H]O)[C@H]6O[C@@H]OC[C@@H]O)[C@H]O)[C@H]6O)))))))))))))))[C@H]O)[C@H]6O))))))))CC)C)[C@@H]6CC[C@@]%10C)[C@]%14C)C[C@H]%19O))))))))))))))))[C@@H]5C9 | Look at this molecular image and tell me its {output_rep_type}. | |
CCCCCCCCC(O)CCCCCCCCC(=O)O | InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21) | PAZZVPKITDJCPV-UHFFFAOYSA-N | 10-hydroxyoctadecanoic acid | What is the DeepSMILES of the molecule shown in this image? Please output the DeepSMILES representation only. Do not output anything else. | CCCCCCCCCO)CCCCCCCCC=O)O | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | CCCCCCCCCO)CCCCCCCCC=O)O | What is the {output_rep_type} of the molecule shown in this image? | |
CC(C)=CCC/C(C)=C/Cc1cc([C@@H]2CC(=O)c3c(cc(O)c(CC=C(C)C)c3O)O2)ccc1O | InChI=1S/C30H36O5/c1-18(2)7-6-8-20(5)10-11-21-15-22(12-14-24(21)31)27-17-26(33)29-28(35-27)16-25(32)23(30(29)34)13-9-19(3)4/h7,9-10,12,14-16,27,31-32,34H,6,8,11,13,17H2,1-5H3/b20-10+/t27-/m0/s1 | NALIGSFHPZUJQO-KIAIXJHNSA-N | (2S)-2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one | Please provide the DeepSMILES for the molecule depicted above. Return only the DeepSMILES representation. | CCC)=CCC/CC)=C/Cccc[C@@H]CC=O)ccccO)cCC=CC)C))))c6O)))))O6))))))ccc6O | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | CCC)=CCC/CC)=C/Cccc[C@@H]CC=O)ccccO)cCC=CC)C))))c6O)))))O6))))))ccc6O | Please provide the {output_rep_type} for the molecule depicted above. | |
CC(C)=CCc1cccc2c1Nc1c(cccc1C(=O)[O-])N2 | InChI=1S/C18H18N2O2/c1-11(2)9-10-12-5-3-7-14-16(12)20-17-13(18(21)22)6-4-8-15(17)19-14/h3-9,19-20H,10H2,1-2H3,(H,21,22)/p-1 | FDBMKUZJJZNEBJ-UHFFFAOYSA-M | 9-(3-methylbut-2-enyl)-5,10-dihydrophenazine-1-carboxylate | Look at this molecular image and tell me its SMILES. Please output the SMILES representation only. Do not output anything else. | CC(C)=CCc1cccc2c1Nc1c(cccc1C(=O)[O-])N2 | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC(C)=CCc1cccc2c1Nc1c(cccc1C(=O)[O-])N2 | Look at this molecular image and tell me its {output_rep_type}. | |
CC(O)=N[C@@H](Cc1ccc(O)c(N=Nc2ccc([As](=O)(O)O)cc2)c1)C(=O)O | InChI=1S/C17H18AsN3O7/c1-10(22)19-15(17(24)25)9-11-2-7-16(23)14(8-11)21-20-13-5-3-12(4-6-13)18(26,27)28/h2-8,15,23H,9H2,1H3,(H,19,22)(H,24,25)(H2,26,27,28)/t15-/m0/s1 | JOEPQBSJSKBHBS-HNNXBMFYSA-N | (2S)-2-acetamido-3-[3-[(4-arsonophenyl)diazenyl]-4-hydroxyphenyl]propanoic acid | What is the SMILES of the molecule shown in this image? Please output the SMILES representation only. Do not output anything else. | CC(O)=N[C@@H](Cc1ccc(O)c(N=Nc2ccc([As](=O)(O)O)cc2)c1)C(=O)O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC(O)=N[C@@H](Cc1ccc(O)c(N=Nc2ccc([As](=O)(O)O)cc2)c1)C(=O)O | What is the {output_rep_type} of the molecule shown in this image? | |
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC[C@H](O)C(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O | InChI=1S/C27H44O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-25,28-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,25+,27-/m1/s1 | WFZKUWGUJVKMHC-NABJBPAWSA-N | trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | Extract the InChI from this molecular structure image: Just provide the InChI without any explanation. | InChI=1S/C27H44O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-25,28-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,25+,27-/m1/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C27H44O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-25,28-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,25+,27-/m1/s1 | Extract the {output_rep_type} from this molecular structure image: | |
CC(C)C(=O)CC(=O)[O-] | InChI=1S/C6H10O3/c1-4(2)5(7)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1 | ZXLSKTZECNUVIS-UHFFFAOYSA-M | 4-methyl-3-oxopentanoate | Convert the molecule in this image to its InChI. Return only the InChI representation. | InChI=1S/C6H10O3/c1-4(2)5(7)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C6H10O3/c1-4(2)5(7)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1 | Convert the molecule in this image to its {output_rep_type}. | |
Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl | InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14) | MEFQWPUMEMWTJP-UHFFFAOYSA-N | 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid | What is the DeepSMILES of the molecule shown in this image? Output only the DeepSMILES representation, nothing else. | NccCl)cF)ncOCC=O)O))))c6Cl | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | NccCl)cF)ncOCC=O)O))))c6Cl | What is the {output_rep_type} of the molecule shown in this image? | |
CC(O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13?,16-,17+,18+,19+,20+,21+/m1/s1 | MASCESDECGBIBB-JAKCRWNRSA-N | (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one | Look at this molecular image and tell me its SMILES. Output only the SMILES representation, nothing else. | CC(O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC(O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | Look at this molecular image and tell me its {output_rep_type}. | |
N=C(NCCC[C@H](N)C(=O)O)NC(CC(=O)[O-])C(=O)O | InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/p-1/t5-,6?/m0/s1 | KDZOASGQNOPSCU-ZBHICJROSA-M | null | What is the SMILES of the molecule shown in this image? Give me only the SMILES, no additional text. | N=C(NCCC[C@H](N)C(=O)O)NC(CC(=O)[O-])C(=O)O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | N=C(NCCC[C@H](N)C(=O)O)NC(CC(=O)[O-])C(=O)O | What is the {output_rep_type} of the molecule shown in this image? | |
NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O.O=S(=O)(O)O | InChI=1S/C18H36N4O11.H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-;/m1./s1 | OOYGSFOGFJDDHP-KMCOLRRFSA-N | (2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol;sulfuric acid | Look at this molecular image and tell me its DeepSMILES. Just provide the DeepSMILES without any explanation. | NC[C@H]O[C@H]O[C@H][C@H]O)[C@@H]O[C@H]O[C@H]CO))[C@@H]O)[C@H]N)[C@H]6O))))))))[C@H]N)C[C@@H]6N))))))))[C@H]O)[C@@H]O)[C@@H]6O.O=S=O)O)O | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | NC[C@H]O[C@H]O[C@H][C@H]O)[C@@H]O[C@H]O[C@H]CO))[C@@H]O)[C@H]N)[C@H]6O))))))))[C@H]N)C[C@@H]6N))))))))[C@H]O)[C@@H]O)[C@@H]6O.O=S=O)O)O | Look at this molecular image and tell me its {output_rep_type}. | |
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCCN)O[C@H](CO)[C@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]7O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C... | InChI=1S/C63H109NO49/c1-14-24(73)45(40(89)57(95-14)107-47-29(78)19(9-68)97-54(39(47)88)94-5-3-4-64)106-60-44(93)50(32(81)22(12-71)101-60)110-63-53(113-56-38(87)35(84)27(76)17(7-66)99-56)51(33(82)23(13-72)104-63)111-61-42(91)48(30(79)20(10-69)102-61)108-58-41(90)46(25(74)15(2)96-58)105-59-43(92)49(31(80)21(11-70)100-59)... | MCQAQXMTSDCEKC-NBFRBFNTSA-N | (2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5S,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2S,3R,4R,5S,6S)-2-[(2S,3R,4S,5R,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6R)-2-(3-aminopropoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]ox... | Convert the molecule in this image to its SMILES. Please output the SMILES representation only. Do not output anything else. | C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCCN)O[C@H](CO)[C@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]7O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C... | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCCN)O[C@H](CO)[C@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]7O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C... | Convert the molecule in this image to its {output_rep_type}. | |
C=C(CCC=C(C)C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]12C | InChI=1S/C30H50/c1-21(2)11-9-12-22(3)23-15-19-29(7)24(23)13-14-26-28(6)18-10-17-27(4,5)25(28)16-20-30(26,29)8/h11,23-26H,3,9-10,12-20H2,1-2,4-8H3/t23-,24-,25+,26-,28+,29-,30-/m1/s1 | SEXOMBPXHYAKHY-YCJSVCQFSA-N | (5S,8R,9R,10S,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene | Convert the molecule in this image to its DeepSMILES. Output only the DeepSMILES representation, nothing else. | C=CCCC=CC)C)))))[C@H]CC[C@]C)[C@@H]5CC[C@@H][C@@]C)CCCCC)C)[C@@H]6CC[C@]%10%14C | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | C=CCCC=CC)C)))))[C@H]CC[C@]C)[C@@H]5CC[C@@H][C@@]C)CCCCC)C)[C@@H]6CC[C@]%10%14C | Convert the molecule in this image to its {output_rep_type}. | |
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O | InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/p-1/b13-11-,19-17-,24-... | KRTOMQDUKGRFDJ-ZWTKVEACSA-M | [(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-octadecanoyloxypropyl] [(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate | Extract the InChI from this molecular structure image: Return only the InChI representation. | InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/p-1/b13-11-,19-17-,24-... | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/p-1/b13-11-,19-17-,24-... | Extract the {output_rep_type} from this molecular structure image: | |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@](C)(C=O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h10,18-20,22-26,31H,7-9,11-17H2,1-6H3/t20-,22-,23+,24+,25-,26+,27-,28-,29+/m1/s1 | HCOOTBJPHHNRCV-AQTSNUJDSA-N | (3S,4S,5R,9R,10R,13R,14R,17R)-3-hydroxy-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-4-carbaldehyde | What is the InChI of the molecule shown in this image? Output only the InChI representation, nothing else. | InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h10,18-20,22-26,31H,7-9,11-17H2,1-6H3/t20-,22-,23+,24+,25-,26+,27-,28-,29+/m1/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h10,18-20,22-26,31H,7-9,11-17H2,1-6H3/t20-,22-,23+,24+,25-,26+,27-,28-,29+/m1/s1 | What is the {output_rep_type} of the molecule shown in this image? | |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1 | QYIXCDOBOSTCEI-NWKZBHTNSA-N | (3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol | Please provide the InChI for the molecule depicted above. Just provide the InChI without any explanation. | InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1 | Please provide the {output_rep_type} for the molecule depicted above. | |
COc1ccc(O)c2c1C[C@]1(C)[C@@H](C)CC[C@H]3C(C)(C)CCC[C@]31O2 | InChI=1S/C22H32O3/c1-14-7-10-18-20(2,3)11-6-12-22(18)21(14,4)13-15-17(24-5)9-8-16(23)19(15)25-22/h8-9,14,18,23H,6-7,10-13H2,1-5H3/t14-,18-,21+,22-/m0/s1 | AHDRBWCUVQGBTR-DNEUNLEDSA-N | (1S,10R,11S,14S)-7-methoxy-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3,5,7-trien-4-ol | Convert the molecule in this image to its InChI. Return only the InChI representation. | InChI=1S/C22H32O3/c1-14-7-10-18-20(2,3)11-6-12-22(18)21(14,4)13-15-17(24-5)9-8-16(23)19(15)25-22/h8-9,14,18,23H,6-7,10-13H2,1-5H3/t14-,18-,21+,22-/m0/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C22H32O3/c1-14-7-10-18-20(2,3)11-6-12-22(18)21(14,4)13-15-17(24-5)9-8-16(23)19(15)25-22/h8-9,14,18,23H,6-7,10-13H2,1-5H3/t14-,18-,21+,22-/m0/s1 | Convert the molecule in this image to its {output_rep_type}. | |
C[C@@H](O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | InChI=1S/C17H32N4O7/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t14-/m1/s1 | IQUHNCOJRJBMSU-CQSZACIVSA-N | 2-[4,7-bis(carboxymethyl)-10-[(2R)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid | Look at this molecular image and tell me its SMILES. Return only the SMILES representation. | C[C@@H](O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | C[C@@H](O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | Look at this molecular image and tell me its {output_rep_type}. | |
O=C([O-])CN=C(O)c1ccccc1[125I].[Na+] | InChI=1S/C9H8INO3.Na/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13;/h1-4H,5H2,(H,11,14)(H,12,13);/q;+1/p-1/i10-2; | XYITYKDGJLHYPW-KYMMBCSGSA-M | sodium 2-[(2-(125I)iodobenzoyl)amino]acetate | Please provide the InChI for the molecule depicted above. Return only the InChI representation. | InChI=1S/C9H8INO3.Na/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13;/h1-4H,5H2,(H,11,14)(H,12,13);/q;+1/p-1/i10-2; | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C9H8INO3.Na/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13;/h1-4H,5H2,(H,11,14)(H,12,13);/q;+1/p-1/i10-2; | Please provide the {output_rep_type} for the molecule depicted above. | |
O=C(O)C[C@H](O)CCCCCCCCCCCO | InChI=1S/C14H28O4/c15-11-9-7-5-3-1-2-4-6-8-10-13(16)12-14(17)18/h13,15-16H,1-12H2,(H,17,18)/t13-/m1/s1 | JJUKFGURSFBQSG-CYBMUJFWSA-N | (3R)-3,14-dihydroxytetradecanoic acid | Extract the InChI from this molecular structure image: Please output the InChI representation only. Do not output anything else. | InChI=1S/C14H28O4/c15-11-9-7-5-3-1-2-4-6-8-10-13(16)12-14(17)18/h13,15-16H,1-12H2,(H,17,18)/t13-/m1/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C14H28O4/c15-11-9-7-5-3-1-2-4-6-8-10-13(16)12-14(17)18/h13,15-16H,1-12H2,(H,17,18)/t13-/m1/s1 | Extract the {output_rep_type} from this molecular structure image: | |
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | InChI=1S/C36H45NO13/c1-7-36(45)14-23(49-24-12-20(37(4)5)34(16(3)48-24)50-25-13-22(39)30(40)15(2)47-25)27-18(29(36)35(44)46-6)11-19-28(33(27)43)32(42)26-17(31(19)41)9-8-10-21(26)38/h8-11,15-16,20,22-25,29-30,34,38-40,43,45H,7,12-14H2,1-6H3/t15-,16-,20-,22-,23-,24-,25-,29-,30+,34+,36+/m0/s1 | DNZPQXXGAMXDHH-FCNQEGBTSA-N | methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate | This image contains a molecule; give me its InChI. Give me only the InChI, no additional text. | InChI=1S/C36H45NO13/c1-7-36(45)14-23(49-24-12-20(37(4)5)34(16(3)48-24)50-25-13-22(39)30(40)15(2)47-25)27-18(29(36)35(44)46-6)11-19-28(33(27)43)32(42)26-17(31(19)41)9-8-10-21(26)38/h8-11,15-16,20,22-25,29-30,34,38-40,43,45H,7,12-14H2,1-6H3/t15-,16-,20-,22-,23-,24-,25-,29-,30+,34+,36+/m0/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C36H45NO13/c1-7-36(45)14-23(49-24-12-20(37(4)5)34(16(3)48-24)50-25-13-22(39)30(40)15(2)47-25)27-18(29(36)35(44)46-6)11-19-28(33(27)43)32(42)26-17(31(19)41)9-8-10-21(26)38/h8-11,15-16,20,22-25,29-30,34,38-40,43,45H,7,12-14H2,1-6H3/t15-,16-,20-,22-,23-,24-,25-,29-,30+,34+,36+/m0/s1 | This image contains a molecule; give me its {output_rep_type}. | |
CC(C)C[C@H](N=C(O)CN)C(=O)O | InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1 | DKEXFJVMVGETOO-LURJTMIESA-N | (2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoic acid | This image contains a molecule; give me its DeepSMILES. Output only the DeepSMILES representation, nothing else. | CCC)C[C@H]N=CO)CN))))C=O)O | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | CCC)C[C@H]N=CO)CN))))C=O)O | This image contains a molecule; give me its {output_rep_type}. | |
COc1ccccc1N1CCS/C1=C(/C#N)Sc1cc(C(F)(F)F)ccc1F | InChI=1S/C19H14F4N2OS2/c1-26-15-5-3-2-4-14(15)25-8-9-27-18(25)17(11-24)28-16-10-12(19(21,22)23)6-7-13(16)20/h2-7,10H,8-9H2,1H3/b18-17- | KGXUEPOHGFWQKF-ZCXUNETKSA-N | (2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile | Look at this molecular image and tell me its SELFIES. Return only the SELFIES representation. | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][S][/C][Ring1][Branch1][=C][Branch1][Ring1][/C][#N][S][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][F] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][S][/C][Ring1][Branch1][=C][Branch1][Ring1][/C][#N][S][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][F] | Look at this molecular image and tell me its {output_rep_type}. | |
C=CC1=C(C)C2=CC3=NC(=CC4=NC(=C(CCC(=O)O)C4=C[O-])C=c4[n-]c(c(C)c4CCC(=O)O)=CC1=N2)C(C)=C3[C@@H](O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.[Fe+3] | InChI=1S/C49H58N4O6.Fe/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39;/h9,13,15,17,23-27,46,55H,1,10-12,14,16,18-22H2,2-8H3,(H4,50,51,52,53,54,56,57,58,59);/q;+3/p-2/b29-15+,30-17+,38... | HIXFOFPPNIASLP-YRJWGCQVSA-L | null | Extract the SELFIES from this molecular structure image: Just provide the SELFIES without any explanation. | [C][=C][C][=C][Branch1][C][C][C][=C][C][=N][C][=Branch2][Branch1][Ring1][=C][C][=N][C][=Branch1][S][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Ring1][#Branch2][=C][O-1][C][=C][N-1][C][Branch1][#C][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][O][=C][C][Ring2][Ring2][Ring1][=N][Ring2][Ring1... | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][=C][C][=C][Branch1][C][C][C][=C][C][=N][C][=Branch2][Branch1][Ring1][=C][C][=N][C][=Branch1][S][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Ring1][#Branch2][=C][O-1][C][=C][N-1][C][Branch1][#C][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][O][=C][C][Ring2][Ring2][Ring1][=N][Ring2][Ring1... | Extract the {output_rep_type} from this molecular structure image: | |
c1nc2c(=NC3CCCCC3)[nH]c(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1 | InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27) | ZFLJHSQHILSNCM-UHFFFAOYSA-N | 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine | Please provide the SELFIES for the molecule depicted above. Give me only the SELFIES, no additional text. | [C][=N][C][C][=Branch1][#Branch2][=N][C][C][C][C][C][C][Ring1][=Branch1][NH1][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][=N][C][=Ring2][Ring1][#Branch2][NH1][Ring2][Ring1][=N] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][=N][C][C][=Branch1][#Branch2][=N][C][C][C][C][C][C][Ring1][=Branch1][NH1][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][=N][C][=Ring2][Ring1][#Branch2][NH1][Ring2][Ring1][=N] | Please provide the {output_rep_type} for the molecule depicted above. | |
O=S(=O)(O)O/N=C(/Cc1ccccc1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | InChI=1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/b15-10-/t9-,11-,12+,13-,14+/m1/s1 | QQGLQYQXUKHWPX-RFEZBLSLSA-N | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-phenyl-N-sulfooxyethanimidothioate | Please provide the InChI for the molecule depicted above. Just provide the InChI without any explanation. | InChI=1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/b15-10-/t9-,11-,12+,13-,14+/m1/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/b15-10-/t9-,11-,12+,13-,14+/m1/s1 | Please provide the {output_rep_type} for the molecule depicted above. | |
Fc1cc(F)c2c(c1)[C@H]1C=CC[C@H]1C(c1cccnc1)N2 | InChI=1S/C17H14F2N2/c18-11-7-14-12-4-1-5-13(12)16(10-3-2-6-20-9-10)21-17(14)15(19)8-11/h1-4,6-9,12-13,16,21H,5H2/t12-,13+,16?/m0/s1 | NJZHEQOUHLZCOX-FTLRAWMYSA-N | (3aR,9bS)-6,8-difluoro-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline | Look at this molecular image and tell me its SELFIES. Please output the SELFIES representation only. Do not output anything else. | [F][C][=C][C][Branch1][C][F][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C@H1][C][=C][C][C@H1][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][S] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [F][C][=C][C][Branch1][C][F][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C@H1][C][=C][C][C@H1][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][S] | Look at this molecular image and tell me its {output_rep_type}. | |
CC(C)C[C@H](N=C(O)CN)C(=O)O | InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1 | DKEXFJVMVGETOO-LURJTMIESA-N | (2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoic acid | What is the SMILES of the molecule shown in this image? Please output the SMILES representation only. Do not output anything else. | CC(C)C[C@H](N=C(O)CN)C(=O)O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC(C)C[C@H](N=C(O)CN)C(=O)O | What is the {output_rep_type} of the molecule shown in this image? | |
CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](OP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCC[C@@H](C)CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2OC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@@H](O)[C@@H]1O | InChI=1S/C88H165O25P/c1-6-10-14-18-22-25-28-31-34-37-40-47-54-60-72(91)105-66-70-76(95)78(97)82(101)88(109-70)112-85-83(110-74(93)62-56-50-42-39-36-33-30-27-24-20-16-12-8-3)79(98)80(99)84(111-87-81(100)77(96)75(94)69(63-89)108-87)86(85)113-114(102,103)106-65-68(107-73(92)61-55-49-41-38-35-32-29-26-23-19-15-11-7-2)64-10... | MYPOSGOZZDXYFW-RCAOBOKWSA-M | [(1R,2R,3S,4R,5R,6R)-3-hexadecanoyloxy-2-[(2R,3S,4S,5S,6R)-6-(hexadecanoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl] [(2R)-2-hexadecanoyloxy-3-[(10S)-10-methyloctadecanoyl]oxypropyl] phosphate | This image contains a molecule; give me its InChI. Output only the InChI representation, nothing else. | InChI=1S/C88H165O25P/c1-6-10-14-18-22-25-28-31-34-37-40-47-54-60-72(91)105-66-70-76(95)78(97)82(101)88(109-70)112-85-83(110-74(93)62-56-50-42-39-36-33-30-27-24-20-16-12-8-3)79(98)80(99)84(111-87-81(100)77(96)75(94)69(63-89)108-87)86(85)113-114(102,103)106-65-68(107-73(92)61-55-49-41-38-35-32-29-26-23-19-15-11-7-2)64-10... | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C88H165O25P/c1-6-10-14-18-22-25-28-31-34-37-40-47-54-60-72(91)105-66-70-76(95)78(97)82(101)88(109-70)112-85-83(110-74(93)62-56-50-42-39-36-33-30-27-24-20-16-12-8-3)79(98)80(99)84(111-87-81(100)77(96)75(94)69(63-89)108-87)86(85)113-114(102,103)106-65-68(107-73(92)61-55-49-41-38-35-32-29-26-23-19-15-11-7-2)64-10... | This image contains a molecule; give me its {output_rep_type}. | |
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O | InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/p-1/b13-11-,19-17-,24-... | KRTOMQDUKGRFDJ-ZWTKVEACSA-M | [(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-octadecanoyloxypropyl] [(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate | Look at this molecular image and tell me its DeepSMILES. Output only the DeepSMILES representation, nothing else. | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC=O)O[C@H]COC=O)CCCCCCCCCCCCCCCCC))))))))))))))))))))COP=O)[O-])OC[C@H]O)[C@H]O)CO)[C@H]O)[C@H]6O | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC=O)O[C@H]COC=O)CCCCCCCCCCCCCCCCC))))))))))))))))))))COP=O)[O-])OC[C@H]O)[C@H]O)CO)[C@H]O)[C@H]6O | Look at this molecular image and tell me its {output_rep_type}. | |
C[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1 | InChI=1S/C21H18F3N3O3/c1-11-9-26(5-4-25-11)19-8-18-13(7-16(19)24)20(28)14(21(29)30)10-27(18)17-3-2-12(22)6-15(17)23/h2-3,6-8,10-11,25H,4-5,9H2,1H3,(H,29,30)/t11-/m1/s1 | QKDHBVNJCZBTMR-LLVKDONJSA-N | 1-(2,4-difluorophenyl)-6-fluoro-7-[(3R)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid | Look at this molecular image and tell me its DeepSMILES. Output only the DeepSMILES representation, nothing else. | C[C@@H]CNcccccc6F)))c=O)cC=O)O))cn6-ccccF)cc6F)))))))))))))))CCN6 | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | C[C@@H]CNcccccc6F)))c=O)cC=O)O))cn6-ccccF)cc6F)))))))))))))))CCN6 | Look at this molecular image and tell me its {output_rep_type}. | |
O=C(O)[C@H]1NC[C@H](O)[C@H]1O | InChI=1S/C5H9NO4/c7-2-1-6-3(4(2)8)5(9)10/h2-4,6-8H,1H2,(H,9,10)/t2-,3-,4+/m0/s1 | HWNGLKPRXKKTPK-YVZJFKFKSA-N | (2S,3S,4S)-3,4-dihydroxypyrrolidine-2-carboxylic acid | Please provide the SMILES for the molecule depicted above. Give me only the SMILES, no additional text. | O=C(O)[C@H]1NC[C@H](O)[C@H]1O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | O=C(O)[C@H]1NC[C@H](O)[C@H]1O | Please provide the {output_rep_type} for the molecule depicted above. | |
CCCCCCCCCCCCCCCCCCCCCCCC(O)=N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCCCC | InChI=1S/C44H89NO4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(48)45-41(40-46)44(49)42(47)38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h41-42,44,46-47,49H,3-40H2,1-2H3,(H,45,48)/t41-,42+,44-/m0/s1 | DFLSLCOGWUJURA-KZRDWULCSA-N | N-[(2S,3S,4R)-1,3,4-trihydroxyicosan-2-yl]tetracosanamide | Look at this molecular image and tell me its InChI. Return only the InChI representation. | InChI=1S/C44H89NO4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(48)45-41(40-46)44(49)42(47)38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h41-42,44,46-47,49H,3-40H2,1-2H3,(H,45,48)/t41-,42+,44-/m0/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C44H89NO4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(48)45-41(40-46)44(49)42(47)38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h41-42,44,46-47,49H,3-40H2,1-2H3,(H,45,48)/t41-,42+,44-/m0/s1 | Look at this molecular image and tell me its {output_rep_type}. | |
c1cc(OCC2CO2)ccc1Cc1ccc(OCC2CO2)cc1 | InChI=1S/C19H20O4/c1-5-16(20-10-18-12-22-18)6-2-14(1)9-15-3-7-17(8-4-15)21-11-19-13-23-19/h1-8,18-19H,9-13H2 | XUCHXOAWJMEFLF-UHFFFAOYSA-N | 2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane | Please provide the SMILES for the molecule depicted above. Give me only the SMILES, no additional text. | c1cc(OCC2CO2)ccc1Cc1ccc(OCC2CO2)cc1 | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | c1cc(OCC2CO2)ccc1Cc1ccc(OCC2CO2)cc1 | Please provide the {output_rep_type} for the molecule depicted above. | |
Cc1ncc(CO)c(CN)c1O.Cl.Cl | InChI=1S/C8H12N2O2.2ClH/c1-5-8(12)7(2-9)6(4-11)3-10-5;;/h3,11-12H,2,4,9H2,1H3;2*1H | HNWCOANXZNKMLR-UHFFFAOYSA-N | 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride | This image contains a molecule; give me its SMILES. Please output the SMILES representation only. Do not output anything else. | Cc1ncc(CO)c(CN)c1O.Cl.Cl | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | Cc1ncc(CO)c(CN)c1O.Cl.Cl | This image contains a molecule; give me its {output_rep_type}. | |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | InChI=1S/C20H30N10O25P6/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(49-19)1-47-56(35,36)51-58(39,40)53-60(43,44)55-61(45,46)54-59(41,42)52-57(37,38)48-2-8-12(32)14(34)20(50-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,21,23,25)(H2,22,2... | PZCFFCOJNXGTIM-XPWFQUROSA-N | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate | This image contains a molecule; give me its DeepSMILES. Output only the DeepSMILES representation, nothing else. | Ncncncc6ncn5[C@@H]O[C@H]COP=O)O)OP=O)O)OP=O)O)OP=O)O)OP=O)O)OP=O)O)OC[C@H]O[C@@H]ncnccN)ncnc69)))))))))[C@H]O)[C@@H]5O)))))))))))))))))))))[C@@H]O)[C@H]5O | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | Ncncncc6ncn5[C@@H]O[C@H]COP=O)O)OP=O)O)OP=O)O)OP=O)O)OP=O)O)OP=O)O)OC[C@H]O[C@@H]ncnccN)ncnc69)))))))))[C@H]O)[C@@H]5O)))))))))))))))))))))[C@@H]O)[C@H]5O | This image contains a molecule; give me its {output_rep_type}. | |
Cc1c(N)cc(N)cc1NO | InChI=1S/C7H11N3O/c1-4-6(9)2-5(8)3-7(4)10-11/h2-3,10-11H,8-9H2,1H3 | DAAYGLKRMDTNSS-UHFFFAOYSA-N | N-(3,5-diamino-2-methylphenyl)hydroxylamine | Please provide the DeepSMILES for the molecule depicted above. Return only the DeepSMILES representation. | CccN)ccN)cc6NO | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | CccN)ccN)cc6NO | Please provide the {output_rep_type} for the molecule depicted above. | |
CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](COP(=O)([O-])O)N=C([O-])CCCCC | InChI=1S/C24H50NO7P/c1-3-5-7-8-9-10-11-12-13-14-15-17-18-22(26)24(28)21(20-32-33(29,30)31)25-23(27)19-16-6-4-2/h21-22,24,26,28H,3-20H2,1-2H3,(H,25,27)(H2,29,30,31)/p-2/t21-,22+,24-/m0/s1 | UDPBJAJIZZTTJS-ZDXQCDESSA-L | null | This image contains a molecule; give me its SMILES. Just provide the SMILES without any explanation. | CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](COP(=O)([O-])O)N=C([O-])CCCCC | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](COP(=O)([O-])O)N=C([O-])CCCCC | This image contains a molecule; give me its {output_rep_type}. | |
COc1cccc2oc3c(Cl)c(O)c([C@H]4CCC[C@@H](C)O4)c(O)c3c(=O)c12 | InChI=1S/C20H19ClO6/c1-9-5-3-7-12(26-9)14-18(23)15-17(22)13-10(25-2)6-4-8-11(13)27-20(15)16(21)19(14)24/h4,6,8-9,12,23-24H,3,5,7H2,1-2H3/t9-,12-/m1/s1 | MWYMVCYBLZZWPG-BXKDBHETSA-N | 4-chloro-1,3-dihydroxy-8-methoxy-2-[(2R,6R)-6-methyloxan-2-yl]xanthen-9-one | This image contains a molecule; give me its InChI. Just provide the InChI without any explanation. | InChI=1S/C20H19ClO6/c1-9-5-3-7-12(26-9)14-18(23)15-17(22)13-10(25-2)6-4-8-11(13)27-20(15)16(21)19(14)24/h4,6,8-9,12,23-24H,3,5,7H2,1-2H3/t9-,12-/m1/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C20H19ClO6/c1-9-5-3-7-12(26-9)14-18(23)15-17(22)13-10(25-2)6-4-8-11(13)27-20(15)16(21)19(14)24/h4,6,8-9,12,23-24H,3,5,7H2,1-2H3/t9-,12-/m1/s1 | This image contains a molecule; give me its {output_rep_type}. | |
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1C(=O)O)C(=O)c1cccc(O)c1C3=O | InChI=1S/C27H29NO11/c1-3-27(37)8-13(39-14-7-11(28)21(30)9(2)38-14)16-17(20(27)26(35)36)25(34)18-19(24(16)33)23(32)15-10(22(18)31)5-4-6-12(15)29/h4-6,9,11,13-14,20-21,29-30,33-34,37H,3,7-8,28H2,1-2H3,(H,35,36)/t9-,11-,13-,14-,20-,21+,27+/m0/s1 | MMYTYGXIKKVLES-AGMCFEMXSA-N | (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid | Please provide the InChI for the molecule depicted above. Return only the InChI representation. | InChI=1S/C27H29NO11/c1-3-27(37)8-13(39-14-7-11(28)21(30)9(2)38-14)16-17(20(27)26(35)36)25(34)18-19(24(16)33)23(32)15-10(22(18)31)5-4-6-12(15)29/h4-6,9,11,13-14,20-21,29-30,33-34,37H,3,7-8,28H2,1-2H3,(H,35,36)/t9-,11-,13-,14-,20-,21+,27+/m0/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C27H29NO11/c1-3-27(37)8-13(39-14-7-11(28)21(30)9(2)38-14)16-17(20(27)26(35)36)25(34)18-19(24(16)33)23(32)15-10(22(18)31)5-4-6-12(15)29/h4-6,9,11,13-14,20-21,29-30,33-34,37H,3,7-8,28H2,1-2H3,(H,35,36)/t9-,11-,13-,14-,20-,21+,27+/m0/s1 | Please provide the {output_rep_type} for the molecule depicted above. | |
N=C(O)CC[C@H](N=C(O)CCCOc1ccc(Cl)cc1Cl)C(=O)O | InChI=1S/C15H18Cl2N2O5/c16-9-3-5-12(10(17)8-9)24-7-1-2-14(21)19-11(15(22)23)4-6-13(18)20/h3,5,8,11H,1-2,4,6-7H2,(H2,18,20)(H,19,21)(H,22,23)/t11-/m0/s1 | KDJOGNVMKQDCJK-NSHDSACASA-N | (2S)-5-amino-2-[4-(2,4-dichlorophenoxy)butanoylamino]-5-oxopentanoic acid | Please provide the InChI for the molecule depicted above. Output only the InChI representation, nothing else. | InChI=1S/C15H18Cl2N2O5/c16-9-3-5-12(10(17)8-9)24-7-1-2-14(21)19-11(15(22)23)4-6-13(18)20/h3,5,8,11H,1-2,4,6-7H2,(H2,18,20)(H,19,21)(H,22,23)/t11-/m0/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C15H18Cl2N2O5/c16-9-3-5-12(10(17)8-9)24-7-1-2-14(21)19-11(15(22)23)4-6-13(18)20/h3,5,8,11H,1-2,4,6-7H2,(H2,18,20)(H,19,21)(H,22,23)/t11-/m0/s1 | Please provide the {output_rep_type} for the molecule depicted above. | |
NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O.O=S(=O)(O)O | InChI=1S/C18H36N4O11.H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-;/m1./s1 | OOYGSFOGFJDDHP-KMCOLRRFSA-N | (2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol;sulfuric acid | This image contains a molecule; give me its SMILES. Please output the SMILES representation only. Do not output anything else. | NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O.O=S(=O)(O)O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O.O=S(=O)(O)O | This image contains a molecule; give me its {output_rep_type}. | |
C[C@@H](O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | InChI=1S/C17H32N4O7/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t14-/m1/s1 | IQUHNCOJRJBMSU-CQSZACIVSA-N | 2-[4,7-bis(carboxymethyl)-10-[(2R)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid | What is the InChI of the molecule shown in this image? Just provide the InChI without any explanation. | InChI=1S/C17H32N4O7/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t14-/m1/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C17H32N4O7/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t14-/m1/s1 | What is the {output_rep_type} of the molecule shown in this image? | |
CC(C)=CCc1cccc2c1Nc1c(cccc1C(=O)[O-])N2 | InChI=1S/C18H18N2O2/c1-11(2)9-10-12-5-3-7-14-16(12)20-17-13(18(21)22)6-4-8-15(17)19-14/h3-9,19-20H,10H2,1-2H3,(H,21,22)/p-1 | FDBMKUZJJZNEBJ-UHFFFAOYSA-M | 9-(3-methylbut-2-enyl)-5,10-dihydrophenazine-1-carboxylate | Please provide the InChI for the molecule depicted above. Output only the InChI representation, nothing else. | InChI=1S/C18H18N2O2/c1-11(2)9-10-12-5-3-7-14-16(12)20-17-13(18(21)22)6-4-8-15(17)19-14/h3-9,19-20H,10H2,1-2H3,(H,21,22)/p-1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C18H18N2O2/c1-11(2)9-10-12-5-3-7-14-16(12)20-17-13(18(21)22)6-4-8-15(17)19-14/h3-9,19-20H,10H2,1-2H3,(H,21,22)/p-1 | Please provide the {output_rep_type} for the molecule depicted above. | |
CC(C)C[C@H](N=C(O)CN)C(=O)O | InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1 | DKEXFJVMVGETOO-LURJTMIESA-N | (2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoic acid | Convert the molecule in this image to its SELFIES. Give me only the SELFIES, no additional text. | [C][C][Branch1][C][C][C][C@H1][Branch1][Branch2][N][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][O] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][Branch1][C][C][C][C@H1][Branch1][Branch2][N][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][O] | Convert the molecule in this image to its {output_rep_type}. | |
COc1ccc(CC(O)C(=O)c2ccc(OC)cc2O)cc1 | InChI=1S/C17H18O5/c1-21-12-5-3-11(4-6-12)9-16(19)17(20)14-8-7-13(22-2)10-15(14)18/h3-8,10,16,18-19H,9H2,1-2H3 | PPOABILDHKLUET-UHFFFAOYSA-N | 2-hydroxy-1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one | Convert the molecule in this image to its SELFIES. Please output the SELFIES representation only. Do not output anything else. | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][Ring2] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][Ring2] | Convert the molecule in this image to its {output_rep_type}. | |
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O | InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/p-1/b13-11-,19-17-,24-... | KRTOMQDUKGRFDJ-ZWTKVEACSA-M | [(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-octadecanoyloxypropyl] [(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate | Extract the SELFIES from this molecular structure image: Give me only the SELFIES, no additional text. | [C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][O][C@H1][Branch2][Ring1][Branch2][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][Branch1][C][O][C@H1][Bran... | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][O][C@H1][Branch2][Ring1][Branch2][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][Branch1][C][O][C@H1][Bran... | Extract the {output_rep_type} from this molecular structure image: | |
Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C | InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23) | AQCHWTWZEMGIFD-UHFFFAOYSA-N | 7-chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2-dihydroquinazoline-6-sulfonamide | Look at this molecular image and tell me its SELFIES. Output only the SELFIES representation, nothing else. | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Branch1][C][Cl][C][=C][Ring1][O][N][C][Ring1][S][C] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Branch1][C][Cl][C][=C][Ring1][O][N][C][Ring1][S][C] | Look at this molecular image and tell me its {output_rep_type}. | |
CC(C)=CCC/C(C)=C/Cc1cc([C@@H]2CC(=O)c3c(cc(O)c(CC=C(C)C)c3O)O2)ccc1O | InChI=1S/C30H36O5/c1-18(2)7-6-8-20(5)10-11-21-15-22(12-14-24(21)31)27-17-26(33)29-28(35-27)16-25(32)23(30(29)34)13-9-19(3)4/h7,9-10,12,14-16,27,31-32,34H,6,8,11,13,17H2,1-5H3/b20-10+/t27-/m0/s1 | NALIGSFHPZUJQO-KIAIXJHNSA-N | (2S)-2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one | Convert the molecule in this image to its SELFIES. Give me only the SELFIES, no additional text. | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][=C][C][Branch2][Ring2][Ring1][C@@H1][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring2][C][=C][Branch1][C][O][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][=C][Ring1][N][O][O][Ring2][Ring1][C][=C][C][=C][Ring2][Ring1][Branch2][O] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][=C][C][Branch2][Ring2][Ring1][C@@H1][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring2][C][=C][Branch1][C][O][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][=C][Ring1][N][O][O][Ring2][Ring1][C][=C][C][=C][Ring2][Ring1][Branch2][O] | Convert the molecule in this image to its {output_rep_type}. | |
CC1=C2N=C(C=C3N=C(C(C)=C4N[C@@](C)([C@@H]5N=C1[C@](C)(CCC(=O)O)[C@H]5CC(=O)O)[C@@](C)(CC(=N)O)[C@@H]4CCC(=O)O)[C@@](C)(CC([NH-])=O)[C@@H]3CCC(=O)O)C(C)(C)[C@@H]2CCC(=O)O.[CH2-][C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.[Co+3] | InChI=1S/C45H62N6O12.C10H12N5O3.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H1... | OQTDHDDYVKUSEW-NQYRMHKHSA-M | null | Please provide the SELFIES for the molecule depicted above. Please output the SELFIES representation only. Do not output anything else. | [C][C][=C][N][=C][Branch2][#Branch1][=C][C][=C][N][=C][Branch2][Branch1][S][C][Branch1][C][C][=C][N][C@@][Branch1][C][C][Branch2][Ring1][N][C@@H1][N][=C][Ring1][P][C@][Branch1][C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C@H1][Ring1][O][C][C][=Branch1][C][=O][O][C@@][Branch1][C][C][Branch1][#Branch1][C][C][=Br... | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][=C][N][=C][Branch2][#Branch1][=C][C][=C][N][=C][Branch2][Branch1][S][C][Branch1][C][C][=C][N][C@@][Branch1][C][C][Branch2][Ring1][N][C@@H1][N][=C][Ring1][P][C@][Branch1][C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C@H1][Ring1][O][C][C][=Branch1][C][=O][O][C@@][Branch1][C][C][Branch1][#Branch1][C][C][=Br... | Please provide the {output_rep_type} for the molecule depicted above. | |
CC1=C(CC/C(C)=C/CC/C(=C\CC(O)C2=CC(=O)OC2O)CO)C(C)(C)CCC1 | InChI=1S/C25H38O5/c1-17(10-12-21-18(2)8-6-14-25(21,3)4)7-5-9-19(16-26)11-13-22(27)20-15-23(28)30-24(20)29/h7,11,15,22,24,26-27,29H,5-6,8-10,12-14,16H2,1-4H3/b17-7+,19-11+ | KSNNYMFBQQASJN-QGQXVBDASA-N | 2-hydroxy-3-[(3E,7E)-1-hydroxy-4-(hydroxymethyl)-8-methyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,7-dienyl]-2H-furan-5-one | Extract the SELFIES from this molecular structure image: Return only the SELFIES representation. | [C][C][=C][Branch2][Ring1][P][C][C][/C][Branch1][C][C][=C][/C][C][/C][=Branch2][Ring1][C][=C][\C][C][Branch1][C][O][C][=C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][O][C][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][=N] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][=C][Branch2][Ring1][P][C][C][/C][Branch1][C][C][=C][/C][C][/C][=Branch2][Ring1][C][=C][\C][C][Branch1][C][O][C][=C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][O][C][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][=N] | Extract the {output_rep_type} from this molecular structure image: | |
O=C(O)CCCCN(CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(C(=O)O)cc1 | InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41) | WPYWMXNXEZFMAK-UHFFFAOYSA-N | 4-[[4-carboxybutyl-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid | This image contains a molecule; give me its SELFIES. Output only the SELFIES representation, nothing else. | [O][=C][Branch1][C][O][C][C][C][C][N][Branch2][Ring1][P][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [O][=C][Branch1][C][O][C][C][C][C][N][Branch2][Ring1][P][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2] | This image contains a molecule; give me its {output_rep_type}. | |
O=C(O)CCCCN(CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(C(=O)O)cc1 | InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41) | WPYWMXNXEZFMAK-UHFFFAOYSA-N | 4-[[4-carboxybutyl-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid | What is the InChI of the molecule shown in this image? Give me only the InChI, no additional text. | InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41) | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41) | What is the {output_rep_type} of the molecule shown in this image? | |
CN(C)c1ccc2cc3ccc(N(C)C)cc3[nH+]c2c1 | InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3/p+1 | DPKHZNPWBDQZCN-UHFFFAOYSA-O | 3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine | Please provide the DeepSMILES for the molecule depicted above. Give me only the DeepSMILES, no additional text. | CNC)cccccccccNC)C))cc6[nH+]c%10c%14 | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | CNC)cccccccccNC)C))cc6[nH+]c%10c%14 | Please provide the {output_rep_type} for the molecule depicted above. | |
O=C([O-])CN=C(O)c1ccccc1[125I].[Na+] | InChI=1S/C9H8INO3.Na/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13;/h1-4H,5H2,(H,11,14)(H,12,13);/q;+1/p-1/i10-2; | XYITYKDGJLHYPW-KYMMBCSGSA-M | sodium 2-[(2-(125I)iodobenzoyl)amino]acetate | This image contains a molecule; give me its DeepSMILES. Just provide the DeepSMILES without any explanation. | O=C[O-])CN=CO)cccccc6[125I].[Na+] | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | O=C[O-])CN=CO)cccccc6[125I].[Na+] | This image contains a molecule; give me its {output_rep_type}. | |
COc1ccc2c(c1)OC[C@]1(O)c3cc4c(cc3O[C@H]21)OCO4 | InChI=1S/C17H14O6/c1-19-9-2-3-10-12(4-9)20-7-17(18)11-5-14-15(22-8-21-14)6-13(11)23-16(10)17/h2-6,16,18H,7-8H2,1H3/t16-,17+/m1/s1 | LZMRDTLRSDRUSU-SJORKVTESA-N | (1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol | Extract the SELFIES from this molecular structure image: Just provide the SELFIES without any explanation. | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C@][Branch1][C][O][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][O][C@H1][Ring1][#C][Ring1][#Branch2][O][C][O][Ring1][=Branch2] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C@][Branch1][C][O][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][O][C@H1][Ring1][#C][Ring1][#Branch2][O][C][O][Ring1][=Branch2] | Extract the {output_rep_type} from this molecular structure image: | |
O=C(O)CCC/C=C\C/C=C\C=C\C(O)C/C=C\CCCCCO | InChI=1S/C20H32O4/c21-18-14-10-6-5-8-12-16-19(22)15-11-7-3-1-2-4-9-13-17-20(23)24/h2-4,7-8,11-12,15,19,21-22H,1,5-6,9-10,13-14,16-18H2,(H,23,24)/b4-2-,7-3-,12-8-,15-11+ | NUPDGIJXOAHJRW-LNESKJDXSA-N | (5Z,8Z,10E,14Z)-12,20-dihydroxyicosa-5,8,10,14-tetraenoic acid | What is the SELFIES of the molecule shown in this image? Just provide the SELFIES without any explanation. | [O][=C][Branch1][C][O][C][C][C][/C][=C][\C][/C][=C][\C][=C][\C][Branch1][C][O][C][/C][=C][\C][C][C][C][C][O] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [O][=C][Branch1][C][O][C][C][C][/C][=C][\C][/C][=C][\C][=C][\C][Branch1][C][O][C][/C][=C][\C][C][C][C][C][O] | What is the {output_rep_type} of the molecule shown in this image? | |
CC(O)=N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@]5(C(=O)O)C[C@H](O)[C@@H](N=C(C)O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3N=C(C)O)[C@@H]2O)[C@... | InChI=1S/C53H88N4O39/c1-13(64)54-25-17(68)5-53(52(82)83,96-43(25)29(70)18(69)6-58)84-12-24-31(72)36(77)38(79)49(90-24)92-41-22(10-62)89-48(28(35(41)76)57-16(4)67)95-45-37(78)30(71)19(7-59)87-51(45)94-44-32(73)20(8-60)86-50(39(44)80)93-42-23(11-63)88-47(27(34(42)75)56-15(3)66)91-40-21(9-61)85-46(81)26(33(40)74)55-14(2)6... | BBSFAMIOKYSQPX-JLTOMZBJSA-N | (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihyd... | Look at this molecular image and tell me its DeepSMILES. Output only the DeepSMILES representation, nothing else. | CCO)=N[C@H][C@H]O[C@H][C@H]O)[C@@H]N=CC)O)))CO)O[C@@H]6CO)))))))))O[C@H]CO))[C@@H]O[C@@H]O[C@H]CO))[C@@H]O)[C@H]O[C@H]O[C@H]CO))[C@@H]O)[C@H]O)[C@@H]6O[C@@H]O[C@H]CO))[C@@H]O[C@@H]O[C@H]CO[C@]C=O)O))C[C@H]O)[C@@H]N=CC)O)))[C@H][C@H]O)[C@H]O)CO))))O6))))))))[C@H]O)[C@H]O)[C@H]6O))))))))[C@H]O)[C@H]6N=CC)O)))))))))))))))... | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | CCO)=N[C@H][C@H]O[C@H][C@H]O)[C@@H]N=CC)O)))CO)O[C@@H]6CO)))))))))O[C@H]CO))[C@@H]O[C@@H]O[C@H]CO))[C@@H]O)[C@H]O[C@H]O[C@H]CO))[C@@H]O)[C@H]O)[C@@H]6O[C@@H]O[C@H]CO))[C@@H]O[C@@H]O[C@H]CO[C@]C=O)O))C[C@H]O)[C@@H]N=CC)O)))[C@H][C@H]O)[C@H]O)CO))))O6))))))))[C@H]O)[C@H]O)[C@H]6O))))))))[C@H]O)[C@H]6N=CC)O)))))))))))))))... | Look at this molecular image and tell me its {output_rep_type}. | |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | InChI=1S/C20H30N10O25P6/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(49-19)1-47-56(35,36)51-58(39,40)53-60(43,44)55-61(45,46)54-59(41,42)52-57(37,38)48-2-8-12(32)14(34)20(50-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,21,23,25)(H2,22,2... | PZCFFCOJNXGTIM-XPWFQUROSA-N | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate | Please provide the InChI for the molecule depicted above. Return only the InChI representation. | InChI=1S/C20H30N10O25P6/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(49-19)1-47-56(35,36)51-58(39,40)53-60(43,44)55-61(45,46)54-59(41,42)52-57(37,38)48-2-8-12(32)14(34)20(50-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,21,23,25)(H2,22,2... | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C20H30N10O25P6/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(49-19)1-47-56(35,36)51-58(39,40)53-60(43,44)55-61(45,46)54-59(41,42)52-57(37,38)48-2-8-12(32)14(34)20(50-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,21,23,25)(H2,22,2... | Please provide the {output_rep_type} for the molecule depicted above. | |
c1cc(OCC2CO2)ccc1Cc1ccc(OCC2CO2)cc1 | InChI=1S/C19H20O4/c1-5-16(20-10-18-12-22-18)6-2-14(1)9-15-3-7-17(8-4-15)21-11-19-13-23-19/h1-8,18-19H,9-13H2 | XUCHXOAWJMEFLF-UHFFFAOYSA-N | 2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane | What is the DeepSMILES of the molecule shown in this image? Give me only the DeepSMILES, no additional text. | cccOCCCO3)))))ccc6CccccOCCCO3)))))cc6 | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | cccOCCCO3)))))ccc6CccccOCCCO3)))))cc6 | What is the {output_rep_type} of the molecule shown in this image? | |
O=P(O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)O[C@@H]1[C@@H](O)CO[C@H]1O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O | InChI=1S/C20H37O21P/c21-1-4(23)14-10(28)9(27)11(29)19(39-14)36-3-5(24)15-17(41-42(33,34)35)16(13(31)18(32)38-15)40-20-12(30)8(26)7(25)6(2-22)37-20/h4-32H,1-3H2,(H2,33,34,35)/t4-,5-,6+,7+,8-,9-,10-,11-,12+,13-,14+,15+,16+,17+,18-,19-,20+/m0/s1 | ZELTWDGCNLKHSH-SZCITUTKSA-N | [(2R,3R,4R,5S,6S)-2-[(1S)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxyethyl]-5,6-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] dihydrogen phosphate | Please provide the SMILES for the molecule depicted above. Just provide the SMILES without any explanation. | O=P(O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)O[C@@H]1[C@@H](O)CO[C@H]1O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | O=P(O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)O[C@@H]1[C@@H](O)CO[C@H]1O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O | Please provide the {output_rep_type} for the molecule depicted above. | |
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | InChI=1S/C36H45NO13/c1-7-36(45)14-23(49-24-12-20(37(4)5)34(16(3)48-24)50-25-13-22(39)30(40)15(2)47-25)27-18(29(36)35(44)46-6)11-19-28(33(27)43)32(42)26-17(31(19)41)9-8-10-21(26)38/h8-11,15-16,20,22-25,29-30,34,38-40,43,45H,7,12-14H2,1-6H3/t15-,16-,20-,22-,23-,24-,25-,29-,30+,34+,36+/m0/s1 | DNZPQXXGAMXDHH-FCNQEGBTSA-N | methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate | Please provide the SMILES for the molecule depicted above. Give me only the SMILES, no additional text. | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | Please provide the {output_rep_type} for the molecule depicted above. | |
N=c1nc(O)c2ncn([C@H]3C[C@H](OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(O)nc(=N)[nH]c65)C[C@@H]4O)[C@@H](COP(=O)(O)O)O3)c2[nH]1 | InChI=1S/C20H26N10O13P2/c21-19-25-15-13(17(32)27-19)23-5-29(15)11-1-7(31)9(41-11)3-40-45(37,38)43-8-2-12(42-10(8)4-39-44(34,35)36)30-6-24-14-16(30)26-20(22)28-18(14)33/h5-12,31H,1-4H2,(H,37,38)(H2,34,35,36)(H3,21,25,27,32)(H3,22,26,28,33)/t7-,8-,9+,10+,11+,12+/m0/s1 | FHNURBISTWFIJX-WGWHJZDNSA-N | [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate | This image contains a molecule; give me its InChI. Output only the InChI representation, nothing else. | InChI=1S/C20H26N10O13P2/c21-19-25-15-13(17(32)27-19)23-5-29(15)11-1-7(31)9(41-11)3-40-45(37,38)43-8-2-12(42-10(8)4-39-44(34,35)36)30-6-24-14-16(30)26-20(22)28-18(14)33/h5-12,31H,1-4H2,(H,37,38)(H2,34,35,36)(H3,21,25,27,32)(H3,22,26,28,33)/t7-,8-,9+,10+,11+,12+/m0/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C20H26N10O13P2/c21-19-25-15-13(17(32)27-19)23-5-29(15)11-1-7(31)9(41-11)3-40-45(37,38)43-8-2-12(42-10(8)4-39-44(34,35)36)30-6-24-14-16(30)26-20(22)28-18(14)33/h5-12,31H,1-4H2,(H,37,38)(H2,34,35,36)(H3,21,25,27,32)(H3,22,26,28,33)/t7-,8-,9+,10+,11+,12+/m0/s1 | This image contains a molecule; give me its {output_rep_type}. | |
CCCCCCCCCCCCCCCC(=O)[O-] | InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/p-1 | IPCSVZSSVZVIGE-UHFFFAOYSA-M | hexadecanoate | This image contains a molecule; give me its SMILES. Give me only the SMILES, no additional text. | CCCCCCCCCCCCCCCC(=O)[O-] | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CCCCCCCCCCCCCCCC(=O)[O-] | This image contains a molecule; give me its {output_rep_type}. | |
CCCCN=C(O)[C@H](C)N=C(O)Cc1cccs1 | InChI=1S/C13H20N2O2S/c1-3-4-7-14-13(17)10(2)15-12(16)9-11-6-5-8-18-11/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,14,17)(H,15,16)/t10-/m0/s1 | UTZPXFIXSMUDDR-JTQLQIEISA-N | (2S)-N-butyl-2-[(2-thiophen-2-ylacetyl)amino]propanamide | What is the SMILES of the molecule shown in this image? Please output the SMILES representation only. Do not output anything else. | CCCCN=C(O)[C@H](C)N=C(O)Cc1cccs1 | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CCCCN=C(O)[C@H](C)N=C(O)Cc1cccs1 | What is the {output_rep_type} of the molecule shown in this image? | |
COC(=O)N(OC)c1ccccc1COc1c(C)c(-c2ccccc2)nn1C | InChI=1S/C21H23N3O4/c1-15-19(16-10-6-5-7-11-16)22-23(2)20(15)28-14-17-12-8-9-13-18(17)24(27-4)21(25)26-3/h5-13H,14H2,1-4H3 | DWTVBEZBWMDXIY-UHFFFAOYSA-N | methyl N-[2-[(1,4-dimethyl-3-phenylpyrazol-5-yl)oxymethyl]phenyl]-N-methoxycarbamate | Look at this molecular image and tell me its DeepSMILES. Return only the DeepSMILES representation. | COC=O)NOC))cccccc6COccC)c-cccccc6))))))nn5C | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | COC=O)NOC))cccccc6COccC)c-cccccc6))))))nn5C | Look at this molecular image and tell me its {output_rep_type}. | |
N=C(NCCC[C@H](N)C(=O)O)NC(CC(=O)[O-])C(=O)O | InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/p-1/t5-,6?/m0/s1 | KDZOASGQNOPSCU-ZBHICJROSA-M | null | What is the DeepSMILES of the molecule shown in this image? Return only the DeepSMILES representation. | N=CNCCC[C@H]N)C=O)O)))))))NCCC=O)[O-])))C=O)O | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | N=CNCCC[C@H]N)C=O)O)))))))NCCC=O)[O-])))C=O)O | What is the {output_rep_type} of the molecule shown in this image? | |
COc1ccc2c(c1)OC[C@]1(O)c3cc4c(cc3O[C@H]21)OCO4 | InChI=1S/C17H14O6/c1-19-9-2-3-10-12(4-9)20-7-17(18)11-5-14-15(22-8-21-14)6-13(11)23-16(10)17/h2-6,16,18H,7-8H2,1H3/t16-,17+/m1/s1 | LZMRDTLRSDRUSU-SJORKVTESA-N | (1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol | This image contains a molecule; give me its DeepSMILES. Give me only the DeepSMILES, no additional text. | COcccccc6)OC[C@]O)cccccc6O[C@H]%139))))OCO5 | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | COcccccc6)OC[C@]O)cccccc6O[C@H]%139))))OCO5 | This image contains a molecule; give me its {output_rep_type}. | |
NC(C=O)C(=O)O | InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h1-2H,4H2,(H,6,7) | XMTCKNXTTXDPJX-UHFFFAOYSA-N | 2-amino-3-oxopropanoic acid | Look at this molecular image and tell me its SELFIES. Give me only the SELFIES, no additional text. | [N][C][Branch1][Ring1][C][=O][C][=Branch1][C][=O][O] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [N][C][Branch1][Ring1][C][=O][C][=Branch1][C][=O][O] | Look at this molecular image and tell me its {output_rep_type}. | |
CCCCCCCCC(O)CCCCCCCCC(=O)O | InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21) | PAZZVPKITDJCPV-UHFFFAOYSA-N | 10-hydroxyoctadecanoic acid | This image contains a molecule; give me its InChI. Just provide the InChI without any explanation. | InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21) | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21) | This image contains a molecule; give me its {output_rep_type}. | |
CC1=C(CC/C(C)=C/CC/C(=C\CC(O)C2=CC(=O)OC2O)CO)C(C)(C)CCC1 | InChI=1S/C25H38O5/c1-17(10-12-21-18(2)8-6-14-25(21,3)4)7-5-9-19(16-26)11-13-22(27)20-15-23(28)30-24(20)29/h7,11,15,22,24,26-27,29H,5-6,8-10,12-14,16H2,1-4H3/b17-7+,19-11+ | KSNNYMFBQQASJN-QGQXVBDASA-N | 2-hydroxy-3-[(3E,7E)-1-hydroxy-4-(hydroxymethyl)-8-methyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,7-dienyl]-2H-furan-5-one | Look at this molecular image and tell me its SMILES. Please output the SMILES representation only. Do not output anything else. | CC1=C(CC/C(C)=C/CC/C(=C\CC(O)C2=CC(=O)OC2O)CO)C(C)(C)CCC1 | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC1=C(CC/C(C)=C/CC/C(=C\CC(O)C2=CC(=O)OC2O)CO)C(C)(C)CCC1 | Look at this molecular image and tell me its {output_rep_type}. | |
O=c1cc[nH]c2ccc(O)cc12 | InChI=1S/C9H7NO2/c11-6-1-2-8-7(5-6)9(12)3-4-10-8/h1-5,11H,(H,10,12) | XFALURCRIGINGT-UHFFFAOYSA-N | 6-hydroxy-1H-quinolin-4-one | Please provide the InChI for the molecule depicted above. Output only the InChI representation, nothing else. | InChI=1S/C9H7NO2/c11-6-1-2-8-7(5-6)9(12)3-4-10-8/h1-5,11H,(H,10,12) | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C9H7NO2/c11-6-1-2-8-7(5-6)9(12)3-4-10-8/h1-5,11H,(H,10,12) | Please provide the {output_rep_type} for the molecule depicted above. | |
CC(C)=CCc1cccc2c1Nc1c(cccc1C(=O)[O-])N2 | InChI=1S/C18H18N2O2/c1-11(2)9-10-12-5-3-7-14-16(12)20-17-13(18(21)22)6-4-8-15(17)19-14/h3-9,19-20H,10H2,1-2H3,(H,21,22)/p-1 | FDBMKUZJJZNEBJ-UHFFFAOYSA-M | 9-(3-methylbut-2-enyl)-5,10-dihydrophenazine-1-carboxylate | What is the SELFIES of the molecule shown in this image? Output only the SELFIES representation, nothing else. | [C][C][Branch1][C][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch1][N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][Ring1][=N] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][Branch1][C][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch1][N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][Ring1][=N] | What is the {output_rep_type} of the molecule shown in this image? | |
CCCCCCCCCCCCCCCCCCCCCCCC(O)=N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCCCC | InChI=1S/C44H89NO4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(48)45-41(40-46)44(49)42(47)38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h41-42,44,46-47,49H,3-40H2,1-2H3,(H,45,48)/t41-,42+,44-/m0/s1 | DFLSLCOGWUJURA-KZRDWULCSA-N | N-[(2S,3S,4R)-1,3,4-trihydroxyicosan-2-yl]tetracosanamide | What is the SELFIES of the molecule shown in this image? Output only the SELFIES representation, nothing else. | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][O][=N][C@@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][O][=N][C@@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C] | What is the {output_rep_type} of the molecule shown in this image? | |
N#Cc1c(-c2ccccc2)cc(-c2cc(Br)ccc2O)nc1O | InChI=1S/C18H11BrN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23) | SVSYJTYGPLVUOZ-UHFFFAOYSA-N | 6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile | This image contains a molecule; give me its DeepSMILES. Give me only the DeepSMILES, no additional text. | N#Ccc-cccccc6))))))cc-cccBr)ccc6O)))))))nc6O | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | N#Ccc-cccccc6))))))cc-cccBr)ccc6O)))))))nc6O | This image contains a molecule; give me its {output_rep_type}. | |
CC(O)=N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2N=C(C)O)O[C@H]1O | InChI=1S/C28H48N2O20/c1-7-15(35)20(40)22(42)27(45-7)50-24-21(41)17(37)11(5-32)48-28(24)49-23-14(30-9(3)34)25(43)46-12(18(23)38)6-44-26-13(29-8(2)33)19(39)16(36)10(4-31)47-26/h7,10-28,31-32,35-43H,4-6H2,1-3H3,(H,29,33)(H,30,34)/t7-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20+,21-,22-,23+,24+,25+,26+,27-,28-/m0/s1 | YQECEZJPDGJZQD-GJIRTYKJSA-N | N-[(2R,3R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-acetamido-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide | Extract the SELFIES from this molecular structure image: Give me only the SELFIES, no additional text. | [C][C][Branch1][C][O][=N][C@@H1][C@@H1][Branch2][Ring2][#Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][O][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1... | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][Branch1][C][O][=N][C@@H1][C@@H1][Branch2][Ring2][#Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][O][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1... | Extract the {output_rep_type} from this molecular structure image: | |
O=c1cc[nH]c2ccc(O)cc12 | InChI=1S/C9H7NO2/c11-6-1-2-8-7(5-6)9(12)3-4-10-8/h1-5,11H,(H,10,12) | XFALURCRIGINGT-UHFFFAOYSA-N | 6-hydroxy-1H-quinolin-4-one | What is the SMILES of the molecule shown in this image? Please output the SMILES representation only. Do not output anything else. | O=c1cc[nH]c2ccc(O)cc12 | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | O=c1cc[nH]c2ccc(O)cc12 | What is the {output_rep_type} of the molecule shown in this image? | |
CSCC[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N)CO)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=NCC(O)=N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(O)=N[C@H](C(O)=NCC(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCNC(=N)N)C(O)... | InChI=1S/C136H210N40O31S/c1-75(2)109(127(200)154-71-106(181)156-88(31-13-17-52-137)114(187)158-89(32-14-18-53-138)115(188)159-91(35-21-56-149-134(142)143)116(189)164-96(37-23-58-151-136(146)147)131(204)175-60-25-39-104(175)126(199)173-111(77(5)6)128(201)163-90(33-15-19-54-139)120(193)171-110(76(3)4)129(202)169-101(65-8... | ZOEFCCMDUURGSE-SQKVDDBVSA-N | (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[[(2S)-1-[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]... | This image contains a molecule; give me its SMILES. Just provide the SMILES without any explanation. | CSCC[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N)CO)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=NCC(O)=N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(O)=N[C@H](C(O)=NCC(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCNC(=N)N)C(O)... | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CSCC[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N)CO)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=NCC(O)=N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(O)=N[C@H](C(O)=NCC(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCNC(=N)N)C(O)... | This image contains a molecule; give me its {output_rep_type}. | |
NC(C=O)C(=O)O | InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h1-2H,4H2,(H,6,7) | XMTCKNXTTXDPJX-UHFFFAOYSA-N | 2-amino-3-oxopropanoic acid | Look at this molecular image and tell me its InChI. Please output the InChI representation only. Do not output anything else. | InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h1-2H,4H2,(H,6,7) | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h1-2H,4H2,(H,6,7) | Look at this molecular image and tell me its {output_rep_type}. | |
COc1cc(O)c(C)c(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1O | InChI=1S/C58H90O3/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-55-54(12)56(59)43-57(61-13)58(55)60/h23,25,27,29,31,33,35,37,39,41,43,59-60H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b45-25+,46-27+,47-29+,48-31+,49-33+,50... | XCOXSBLQZPFVGK-RGIWONJESA-N | 3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5-methoxy-2-methylbenzene-1,4-diol | Look at this molecular image and tell me its SMILES. Give me only the SMILES, no additional text. | COc1cc(O)c(C)c(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | COc1cc(O)c(C)c(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1O | Look at this molecular image and tell me its {output_rep_type}. | |
COC(=O)c1c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]2OC)cc2cc3c(c(O)c2c1C)C(=O)[C@]1(O)C(=O)C=C(OC)[C@@H](O)[C@]1(O)C3=O | InChI=1S/C30H32O15/c1-10-17-12(8-14(18(10)27(37)43-6)45-28-23(42-5)22(41-4)20(32)11(2)44-28)7-13-19(21(17)33)26(36)29(38)16(31)9-15(40-3)25(35)30(29,39)24(13)34/h7-9,11,20,22-23,25,28,32-33,35,38-39H,1-6H3/t11-,20-,22+,23+,25+,28-,29+,30+/m0/s1 | NIRLIWMQNRJEDG-RARRKIFNSA-N | methyl (6aR,7S,10aR)-6a,7,10a,12-tetrahydroxy-3-[(2S,3R,4R,5S,6S)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy-8-methoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate | Extract the SMILES from this molecular structure image: Please output the SMILES representation only. Do not output anything else. | COC(=O)c1c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]2OC)cc2cc3c(c(O)c2c1C)C(=O)[C@]1(O)C(=O)C=C(OC)[C@@H](O)[C@]1(O)C3=O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | COC(=O)c1c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]2OC)cc2cc3c(c(O)c2c1C)C(=O)[C@]1(O)C(=O)C=C(OC)[C@@H](O)[C@]1(O)C3=O | Extract the {output_rep_type} from this molecular structure image: | |
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O | InChI=1S/C36H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(37)38/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-35H2,1H3,(H,37,38)/b4-3-,7-6-,10-9-,13-12-,16-15- | HYQBLGJYQBZWSR-JLNKQSITSA-N | (21Z,24Z,27Z,30Z,33Z)-hexatriaconta-21,24,27,30,33-pentaenoic acid | Extract the DeepSMILES from this molecular structure image: Just provide the DeepSMILES without any explanation. | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC=O)O | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC=O)O | Extract the {output_rep_type} from this molecular structure image: | |
CC(O)=NCCCCNC(=N)N | InChI=1S/C7H16N4O/c1-6(12)10-4-2-3-5-11-7(8)9/h2-5H2,1H3,(H,10,12)(H4,8,9,11) | JMACEDIUUMWDIC-UHFFFAOYSA-N | N-[4-(diaminomethylideneamino)butyl]acetamide | Convert the molecule in this image to its SMILES. Give me only the SMILES, no additional text. | CC(O)=NCCCCNC(=N)N | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC(O)=NCCCCNC(=N)N | Convert the molecule in this image to its {output_rep_type}. | |
O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m0/s1 | BJGNCJDXODQBOB-ZETCQYMHSA-N | (4R)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid | This image contains a molecule; give me its SMILES. Please output the SMILES representation only. Do not output anything else. | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | This image contains a molecule; give me its {output_rep_type}. | |
CC1=C2N=C(C=C3N=C(C(C)=C4N[C@@](C)([C@@H]5N=C1[C@](C)(CCC(=O)O)[C@H]5CC(=O)O)[C@@](C)(CC(=N)O)[C@@H]4CCC(=O)O)[C@@](C)(CC([NH-])=O)[C@@H]3CCC(=O)O)C(C)(C)[C@@H]2CCC(=O)O.[CH2-][C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.[Co+3] | InChI=1S/C45H62N6O12.C10H12N5O3.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H1... | OQTDHDDYVKUSEW-NQYRMHKHSA-M | null | Convert the molecule in this image to its SMILES. Please output the SMILES representation only. Do not output anything else. | CC1=C2N=C(C=C3N=C(C(C)=C4N[C@@](C)([C@@H]5N=C1[C@](C)(CCC(=O)O)[C@H]5CC(=O)O)[C@@](C)(CC(=N)O)[C@@H]4CCC(=O)O)[C@@](C)(CC([NH-])=O)[C@@H]3CCC(=O)O)C(C)(C)[C@@H]2CCC(=O)O.[CH2-][C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.[Co+3] | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC1=C2N=C(C=C3N=C(C(C)=C4N[C@@](C)([C@@H]5N=C1[C@](C)(CCC(=O)O)[C@H]5CC(=O)O)[C@@](C)(CC(=N)O)[C@@H]4CCC(=O)O)[C@@](C)(CC([NH-])=O)[C@@H]3CCC(=O)O)C(C)(C)[C@@H]2CCC(=O)O.[CH2-][C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.[Co+3] | Convert the molecule in this image to its {output_rep_type}. | |
NCC(O)=NC1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O | InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/t3-,5-,6-,7?/m1/s1 | OBQMLSFOUZUIOB-HJZCUYRDSA-N | [(2R,3S,4R)-5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate | Extract the SMILES from this molecular structure image: Return only the SMILES representation. | NCC(O)=NC1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | NCC(O)=NC1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O | Extract the {output_rep_type} from this molecular structure image: | |
C=CC1=C(C)C2=CC3=NC(=CC4=NC(=C(CCC(=O)O)C4=C[O-])C=c4[n-]c(c(C)c4CCC(=O)O)=CC1=N2)C(C)=C3[C@@H](O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.[Fe+3] | InChI=1S/C49H58N4O6.Fe/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39;/h9,13,15,17,23-27,46,55H,1,10-12,14,16,18-22H2,2-8H3,(H4,50,51,52,53,54,56,57,58,59);/q;+3/p-2/b29-15+,30-17+,38... | HIXFOFPPNIASLP-YRJWGCQVSA-L | null | What is the InChI of the molecule shown in this image? Please output the InChI representation only. Do not output anything else. | InChI=1S/C49H58N4O6.Fe/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39;/h9,13,15,17,23-27,46,55H,1,10-12,14,16,18-22H2,2-8H3,(H4,50,51,52,53,54,56,57,58,59);/q;+3/p-2/b29-15+,30-17+,38... | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C49H58N4O6.Fe/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39;/h9,13,15,17,23-27,46,55H,1,10-12,14,16,18-22H2,2-8H3,(H4,50,51,52,53,54,56,57,58,59);/q;+3/p-2/b29-15+,30-17+,38... | What is the {output_rep_type} of the molecule shown in this image? | |
CC1(C)CC[C@]2(C(=O)O)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 | InChI=1S/C30H48O3/c1-25(2)16-17-30(24(32)33)15-10-21-28(6)12-8-19-26(3,4)23(31)11-14-27(19,5)20(28)9-13-29(21,7)22(30)18-25/h10,19-20,22-23,31H,8-9,11-18H2,1-7H3,(H,32,33)/t19-,20+,22-,23-,27-,28+,29+,30+/m0/s1 | BHHPRAFMEFGOLZ-QVUWEPBXSA-N | (4aS,6aR,6bR,8aR,10S,12aR,14aS,14bS)-10-hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid | Please provide the SMILES for the molecule depicted above. Please output the SMILES representation only. Do not output anything else. | CC1(C)CC[C@]2(C(=O)O)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC1(C)CC[C@]2(C(=O)O)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 | Please provide the {output_rep_type} for the molecule depicted above. | |
COc1cc(O)c(C)c(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1O | InChI=1S/C58H90O3/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-55-54(12)56(59)43-57(61-13)58(55)60/h23,25,27,29,31,33,35,37,39,41,43,59-60H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b45-25+,46-27+,47-29+,48-31+,49-33+,50... | XCOXSBLQZPFVGK-RGIWONJESA-N | 3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5-methoxy-2-methylbenzene-1,4-diol | Please provide the SELFIES for the molecule depicted above. Give me only the SELFIES, no additional text. | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch2][=Branch1][#Branch1][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][... | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch2][=Branch1][#Branch1][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][... | Please provide the {output_rep_type} for the molecule depicted above. | |
c1cc(OCC2CO2)ccc1Cc1ccc(OCC2CO2)cc1 | InChI=1S/C19H20O4/c1-5-16(20-10-18-12-22-18)6-2-14(1)9-15-3-7-17(8-4-15)21-11-19-13-23-19/h1-8,18-19H,9-13H2 | XUCHXOAWJMEFLF-UHFFFAOYSA-N | 2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane | Convert the molecule in this image to its InChI. Output only the InChI representation, nothing else. | InChI=1S/C19H20O4/c1-5-16(20-10-18-12-22-18)6-2-14(1)9-15-3-7-17(8-4-15)21-11-19-13-23-19/h1-8,18-19H,9-13H2 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C19H20O4/c1-5-16(20-10-18-12-22-18)6-2-14(1)9-15-3-7-17(8-4-15)21-11-19-13-23-19/h1-8,18-19H,9-13H2 | Convert the molecule in this image to its {output_rep_type}. | |
CC1(C)CC[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H]3C1 | InChI=1S/C46H76O16/c1-40(2)14-15-45-21-58-46(27(45)16-40)13-9-26-42(5)11-10-29(41(3,4)25(42)8-12-43(26,6)44(46,7)17-28(45)49)61-37-35(55)32(52)24(20-57-37)60-39-36(33(53)31(51)23(18-47)59-39)62-38-34(54)30(50)22(48)19-56-38/h22-39,47-55H,8-21H2,1-7H3/t22-,23-,24+,25+,26-,27-,28-,29+,30+,31-,32+,33+,34-,35-,36-,37+,38+,... | DYAQVNOJMUMVBF-XKXSQMESSA-N | (2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[(3S,4R,5R,6S)-4,5-dihydroxy-6-[[(1S,2R,4S,5R,8R,10S,13R,14R,17S,18R)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl]oxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol | What is the SELFIES of the molecule shown in this image? Just provide the SELFIES without any explanation. | [C][C][Branch1][C][C][C][C][C@][C][O][C@@][Branch2][Branch2][Ring1][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch1][Branch1][O][C@@H1][O][C][C@H1][Branch2][Ring2][Ring2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][O][C][C@@H1][Branc... | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][Branch1][C][C][C][C][C@][C][O][C@@][Branch2][Branch2][Ring1][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch1][Branch1][O][C@@H1][O][C][C@H1][Branch2][Ring2][Ring2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][O][C][C@@H1][Branc... | What is the {output_rep_type} of the molecule shown in this image? |
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