can_smiles stringclasses 80
values | inchi stringclasses 80
values | inchikey stringclasses 80
values | iupac stringclasses 76
values | prompt stringlengths 86 29.4k | completion stringclasses 320
values | task_id stringclasses 32
values | task_type stringclasses 5
values | input_rep_type stringclasses 9
values | input_rep stringlengths 12 29.3k | output_rep_type stringclasses 4
values | output_rep stringclasses 320
values | qa_template stringclasses 30
values |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
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 | Please convert O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1: from SMILES to SELFIES. Please output the SELFIES representation only. Do not output anything else. | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | can_reps_translation:can_smiles->can_selfies | can_reps_translation | can_smiles | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | can_selfies | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | Please convert {input_rep}: from {input_rep_type} to {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 | What is the DeepSMILES of this molecule? O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 Just provide the DeepSMILES without any explanation. | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | can_reps_translation:can_smiles->can_deepsmiles | can_reps_translation | can_smiles | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | can_deepsmiles | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | What is the {output_rep_type} of this molecule? {input_rep} |
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 | I have a molecule in SMILES: O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1. What does it look like in InChI? Output only the InChI representation, nothing else. | 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 | can_reps_translation:can_smiles->inchi | can_reps_translation | can_smiles | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | inchi | 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 | I have a molecule in {input_rep_type}: {input_rep}. What does it look like in {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 | I have a molecule in SELFIES: [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C]. What does it look like in SMILES? Please output the SMILES representation only. Do not output anything else. | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | can_reps_translation:can_selfies->can_smiles | can_reps_translation | can_selfies | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | can_smiles | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | I have a molecule in {input_rep_type}: {input_rep}. What does it look like in {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 | What is the DeepSMILES of this molecule? [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] Give me only the DeepSMILES, no additional text. | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | can_reps_translation:can_selfies->can_deepsmiles | can_reps_translation | can_selfies | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | can_deepsmiles | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | What is the {output_rep_type} of this molecule? {input_rep} |
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 | Please convert [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C]: from SELFIES to InChI. Give me only the InChI, no additional text. | 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 | can_reps_translation:can_selfies->inchi | can_reps_translation | can_selfies | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | inchi | 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 | Please convert {input_rep}: from {input_rep_type} to {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 | Given O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5: (in DeepSMILES), give me the SMILES. Please output the SMILES representation only. Do not output anything else. | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | can_reps_translation:can_deepsmiles->can_smiles | can_reps_translation | can_deepsmiles | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | can_smiles | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | Given {input_rep}: (in {input_rep_type}), give me the {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 | Please convert O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5: from DeepSMILES to SELFIES. Please output the SELFIES representation only. Do not output anything else. | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | can_reps_translation:can_deepsmiles->can_selfies | can_reps_translation | can_deepsmiles | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | can_selfies | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | Please convert {input_rep}: from {input_rep_type} to {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 | I have a molecule in DeepSMILES: O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5. What does it look like in InChI? Output only the InChI representation, nothing else. | 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 | can_reps_translation:can_deepsmiles->inchi | can_reps_translation | can_deepsmiles | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | inchi | 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 | I have a molecule in {input_rep_type}: {input_rep}. What does it look like in {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 | Transform 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 from InChI to SMILES: Give me only the SMILES, no additional text. | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | can_reps_translation:inchi->can_smiles | can_reps_translation | inchi | 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 | can_smiles | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | Transform {input_rep} from {input_rep_type} to {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 | Please convert 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: from InChI to SELFIES. Give me only the SELFIES, no additional text. | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | can_reps_translation:inchi->can_selfies | can_reps_translation | inchi | 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 | can_selfies | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | Please convert {input_rep}: from {input_rep_type} to {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 | I have a molecule in InChI: 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. What does it look like in DeepSMILES? Give me only the DeepSMILES, no additional text. | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | can_reps_translation:inchi->can_deepsmiles | can_reps_translation | inchi | 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 | can_deepsmiles | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | I have a molecule in {input_rep_type}: {input_rep}. What does it look like in {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 | I know the name (4R)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid, please convert it to SMILES. Output only the SMILES representation, nothing else. | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | iupac_understanding:iupac->can_smiles | iupac_understanding | iupac | (4R)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid | can_smiles | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | I know the name {input_rep}, please convert it to {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 | I know the name (4R)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid, please convert it to SELFIES. Give me only the SELFIES, no additional text. | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | iupac_understanding:iupac->can_selfies | iupac_understanding | iupac | (4R)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid | can_selfies | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | I know the name {input_rep}, please convert it to {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 | (4R)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid — give me the DeepSMILES for this molecule. Please output the DeepSMILES representation only. Do not output anything else. | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | iupac_understanding:iupac->can_deepsmiles | iupac_understanding | iupac | (4R)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid | can_deepsmiles | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | {input_rep} — give me the {output_rep_type} for this molecule. |
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 | What InChI corresponds to the compound named (4R)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid? Return only the InChI representation. | 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 | iupac_understanding:iupac->inchi | iupac_understanding | iupac | (4R)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid | inchi | 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 | What {output_rep_type} corresponds to the compound named {input_rep}? |
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 | CML representation <?xml version="1.0" encoding="utf-8"?>
<cml xmlns="http://www.xml-cml.org/schema" xmlns:convention="http://www.xml-cml.org/convention/" convention="convention:molecular">
<molecule id="m-1" formalCharge="0" spinMultiplicity="1">
<atomArray>
<atom id="a0" elementType="O" formalCharge="0" h... | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | cml_understanding:cml->can_smiles | cml_understanding | cml | <?xml version="1.0" encoding="utf-8"?>
<cml xmlns="http://www.xml-cml.org/schema" xmlns:convention="http://www.xml-cml.org/convention/" convention="convention:molecular">
<molecule id="m-1" formalCharge="0" spinMultiplicity="1">
<atomArray>
<atom id="a0" elementType="O" formalCharge="0" hydrogenCount="0"/>
... | can_smiles | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | CML representation {input_rep} — convert it to {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 | Here is a molecule serialized as CML: <?xml version="1.0" encoding="utf-8"?>
<cml xmlns="http://www.xml-cml.org/schema" xmlns:convention="http://www.xml-cml.org/convention/" convention="convention:molecular">
<molecule id="m-1" formalCharge="0" spinMultiplicity="1">
<atomArray>
<atom id="a0" elementType="O"... | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | cml_understanding:cml->can_selfies | cml_understanding | cml | <?xml version="1.0" encoding="utf-8"?>
<cml xmlns="http://www.xml-cml.org/schema" xmlns:convention="http://www.xml-cml.org/convention/" convention="convention:molecular">
<molecule id="m-1" formalCharge="0" spinMultiplicity="1">
<atomArray>
<atom id="a0" elementType="O" formalCharge="0" hydrogenCount="0"/>
... | can_selfies | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | Here is a molecule serialized as CML: {input_rep}. What is the {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 | CML representation <?xml version="1.0" encoding="utf-8"?>
<cml xmlns="http://www.xml-cml.org/schema" xmlns:convention="http://www.xml-cml.org/convention/" convention="convention:molecular">
<molecule id="m-1" formalCharge="0" spinMultiplicity="1">
<atomArray>
<atom id="a0" elementType="O" formalCharge="0" h... | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | cml_understanding:cml->can_deepsmiles | cml_understanding | cml | <?xml version="1.0" encoding="utf-8"?>
<cml xmlns="http://www.xml-cml.org/schema" xmlns:convention="http://www.xml-cml.org/convention/" convention="convention:molecular">
<molecule id="m-1" formalCharge="0" spinMultiplicity="1">
<atomArray>
<atom id="a0" elementType="O" formalCharge="0" hydrogenCount="0"/>
... | can_deepsmiles | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | CML representation {input_rep} — convert it to {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 | Parse this CML and tell me its InChI: <?xml version="1.0" encoding="utf-8"?>
<cml xmlns="http://www.xml-cml.org/schema" xmlns:convention="http://www.xml-cml.org/convention/" convention="convention:molecular">
<molecule id="m-1" formalCharge="0" spinMultiplicity="1">
<atomArray>
<atom id="a0" elementType="O"... | 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 | cml_understanding:cml->inchi | cml_understanding | cml | <?xml version="1.0" encoding="utf-8"?>
<cml xmlns="http://www.xml-cml.org/schema" xmlns:convention="http://www.xml-cml.org/convention/" convention="convention:molecular">
<molecule id="m-1" formalCharge="0" spinMultiplicity="1">
<atomArray>
<atom id="a0" elementType="O" formalCharge="0" hydrogenCount="0"/>
... | inchi | 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 | Parse this CML and tell me its {output_rep_type}: {input_rep} |
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 | Canonicalize this SMILES: c1c(ccc2nc(C3=N[C@H](C(O)=O)CS3)sc12)O Just provide the SMILES without any explanation. | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | intra_rep_normalization:random_smiles->can_smiles | intra_rep_normalization | random_smiles | c1c(ccc2nc(C3=N[C@H](C(O)=O)CS3)sc12)O | can_smiles | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | Canonicalize this {input_rep_type}: {input_rep} |
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 | Here is a randomized SMILES: C1(c2sc3c(ccc(c3)O)n2)=N[C@@H](CS1)C(O)=O. Give me the canonical one. Give me only the SMILES, no additional text. | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | intra_rep_normalization:random_smiles->can_smiles | intra_rep_normalization | random_smiles | C1(c2sc3c(ccc(c3)O)n2)=N[C@@H](CS1)C(O)=O | can_smiles | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | Here is a randomized {input_rep_type}: {input_rep}. Give me the canonical one. |
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 | Here is a randomized SELFIES: [C][=C][Branch2][Ring1][N][C][=C][C][N][=C][Branch1][#C][C][=N][C@H1][Branch1][=Branch1][C][Branch1][C][O][=O][C][S][Ring1][Branch2][S][C][Ring1][P][=Ring1][=N][O]. Give me the canonical one. Please output the SELFIES representation only. Do not output anything else. | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | intra_rep_normalization:random_selfies->can_selfies | intra_rep_normalization | random_selfies | [C][=C][Branch2][Ring1][N][C][=C][C][N][=C][Branch1][#C][C][=N][C@H1][Branch1][=Branch1][C][Branch1][C][O][=O][C][S][Ring1][Branch2][S][C][Ring1][P][=Ring1][=N][O] | can_selfies | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | Here is a randomized {input_rep_type}: {input_rep}. Give me the canonical one. |
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 | Please normalize [C][Branch2][Ring1][Ring1][C][S][C][=C][Branch1][#Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][N][=Ring1][#Branch2][=N][C@@H1][Branch1][Branch1][C][S][Ring1][#C][C][Branch1][C][O][=O] to its canonical SELFIES. Return only the SELFIES representation. | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | intra_rep_normalization:random_selfies->can_selfies | intra_rep_normalization | random_selfies | [C][Branch2][Ring1][Ring1][C][S][C][=C][Branch1][#Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][N][=Ring1][#Branch2][=N][C@@H1][Branch1][Branch1][C][S][Ring1][#C][C][Branch1][C][O][=O] | can_selfies | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | Please normalize {input_rep} to its canonical {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 | Standardize this (make it canonical): cccccncC=N[C@H]CO)=O))CS5)))))sc95)))))))O Please output the DeepSMILES representation only. Do not output anything else. | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | intra_rep_normalization:random_deepsmiles->can_deepsmiles | intra_rep_normalization | random_deepsmiles | cccccncC=N[C@H]CO)=O))CS5)))))sc95)))))))O | can_deepsmiles | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | Standardize this (make it canonical): {input_rep} |
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 | Fix the DeepSMILES notation in canonical way: Ccscccccc6)O))))n5)))))=N[C@@H]CS5))CO)=O Please output the DeepSMILES representation only. Do not output anything else. | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | intra_rep_normalization:random_deepsmiles->can_deepsmiles | intra_rep_normalization | random_deepsmiles | Ccscccccc6)O))))n5)))))=N[C@@H]CS5))CO)=O | can_deepsmiles | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | Fix the {input_rep_type} notation in canonical way: {input_rep} |
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 | I have a non-standard SMILES c1c(ccc2nc(C3=N[C@H](C(O)=O)CS3)sc12)O, please convert to canonical SELFIES. Just provide the SELFIES without any explanation. | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | cross_rep_normalization:random_smiles->can_selfies | cross_rep_normalization | random_smiles | c1c(ccc2nc(C3=N[C@H](C(O)=O)CS3)sc12)O | can_selfies | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | I have a non-standard {input_rep_type} {input_rep}, please convert to canonical {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 | Take c1c(ccc2nc(C3=N[C@H](C(O)=O)CS3)sc12)O (a noisy SMILES) and express it as proper DeepSMILES. Give me only the DeepSMILES, no additional text. | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | cross_rep_normalization:random_smiles->can_deepsmiles | cross_rep_normalization | random_smiles | c1c(ccc2nc(C3=N[C@H](C(O)=O)CS3)sc12)O | can_deepsmiles | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | Take {input_rep} (a noisy {input_rep_type}) and express it as proper {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 | From this messy SMILES c1c(ccc2nc(C3=N[C@H](C(O)=O)CS3)sc12)O, derive the clean InChI. Give me only the InChI, no additional text. | 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 | cross_rep_normalization:random_smiles->inchi | cross_rep_normalization | random_smiles | c1c(ccc2nc(C3=N[C@H](C(O)=O)CS3)sc12)O | inchi | 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 | From this messy {input_rep_type} {input_rep}, derive the clean {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 | Clean up the randomized SMILES C1(c2sc3c(ccc(c3)O)n2)=N[C@@H](CS1)C(O)=O and give me the SELFIES. Please output the SELFIES representation only. Do not output anything else. | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | cross_rep_normalization:random_smiles->can_selfies | cross_rep_normalization | random_smiles | C1(c2sc3c(ccc(c3)O)n2)=N[C@@H](CS1)C(O)=O | can_selfies | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | Clean up the randomized {input_rep_type} {input_rep} and give me the {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 SMILES C1(c2sc3c(ccc(c3)O)n2)=N[C@@H](CS1)C(O)=O may not be canonical. Normalize it and output as DeepSMILES. Output only the DeepSMILES representation, nothing else. | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | cross_rep_normalization:random_smiles->can_deepsmiles | cross_rep_normalization | random_smiles | C1(c2sc3c(ccc(c3)O)n2)=N[C@@H](CS1)C(O)=O | can_deepsmiles | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | This {input_rep_type} {input_rep} may not be canonical. Normalize it and output as {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 | From this messy SMILES C1(c2sc3c(ccc(c3)O)n2)=N[C@@H](CS1)C(O)=O, derive the clean InChI. Please output the InChI representation only. Do not output anything else. | 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 | cross_rep_normalization:random_smiles->inchi | cross_rep_normalization | random_smiles | C1(c2sc3c(ccc(c3)O)n2)=N[C@@H](CS1)C(O)=O | inchi | 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 | From this messy {input_rep_type} {input_rep}, derive the clean {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 | Clean up the randomized SELFIES [C][=C][Branch2][Ring1][N][C][=C][C][N][=C][Branch1][#C][C][=N][C@H1][Branch1][=Branch1][C][Branch1][C][O][=O][C][S][Ring1][Branch2][S][C][Ring1][P][=Ring1][=N][O] and give me the SMILES. Please output the SMILES representation only. Do not output anything else. | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | cross_rep_normalization:random_selfies->can_smiles | cross_rep_normalization | random_selfies | [C][=C][Branch2][Ring1][N][C][=C][C][N][=C][Branch1][#C][C][=N][C@H1][Branch1][=Branch1][C][Branch1][C][O][=O][C][S][Ring1][Branch2][S][C][Ring1][P][=Ring1][=N][O] | can_smiles | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | Clean up the randomized {input_rep_type} {input_rep} and give me the {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 | SELFIES: [C][=C][Branch2][Ring1][N][C][=C][C][N][=C][Branch1][#C][C][=N][C@H1][Branch1][=Branch1][C][Branch1][C][O][=O][C][S][Ring1][Branch2][S][C][Ring1][P][=Ring1][=N][O]. Turn this into standardized DeepSMILES. Just provide the DeepSMILES without any explanation. | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | cross_rep_normalization:random_selfies->can_deepsmiles | cross_rep_normalization | random_selfies | [C][=C][Branch2][Ring1][N][C][=C][C][N][=C][Branch1][#C][C][=N][C@H1][Branch1][=Branch1][C][Branch1][C][O][=O][C][S][Ring1][Branch2][S][C][Ring1][P][=Ring1][=N][O] | can_deepsmiles | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | {input_rep_type}: {input_rep}. Turn this into standardized {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 | SELFIES: [C][=C][Branch2][Ring1][N][C][=C][C][N][=C][Branch1][#C][C][=N][C@H1][Branch1][=Branch1][C][Branch1][C][O][=O][C][S][Ring1][Branch2][S][C][Ring1][P][=Ring1][=N][O]. Turn this into standardized InChI. Just provide the InChI without any explanation. | 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 | cross_rep_normalization:random_selfies->inchi | cross_rep_normalization | random_selfies | [C][=C][Branch2][Ring1][N][C][=C][C][N][=C][Branch1][#C][C][=N][C@H1][Branch1][=Branch1][C][Branch1][C][O][=O][C][S][Ring1][Branch2][S][C][Ring1][P][=Ring1][=N][O] | inchi | 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 | {input_rep_type}: {input_rep}. Turn this into standardized {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 | Clean up the randomized SELFIES [C][Branch2][Ring1][Ring1][C][S][C][=C][Branch1][#Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][N][=Ring1][#Branch2][=N][C@@H1][Branch1][Branch1][C][S][Ring1][#C][C][Branch1][C][O][=O] and give me the SMILES. Just provide the SMILES without any explanation. | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | cross_rep_normalization:random_selfies->can_smiles | cross_rep_normalization | random_selfies | [C][Branch2][Ring1][Ring1][C][S][C][=C][Branch1][#Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][N][=Ring1][#Branch2][=N][C@@H1][Branch1][Branch1][C][S][Ring1][#C][C][Branch1][C][O][=O] | can_smiles | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | Clean up the randomized {input_rep_type} {input_rep} and give me the {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 | From this messy SELFIES [C][Branch2][Ring1][Ring1][C][S][C][=C][Branch1][#Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][N][=Ring1][#Branch2][=N][C@@H1][Branch1][Branch1][C][S][Ring1][#C][C][Branch1][C][O][=O], derive the clean DeepSMILES. Output only the DeepSMILES representation, nothing else. | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | cross_rep_normalization:random_selfies->can_deepsmiles | cross_rep_normalization | random_selfies | [C][Branch2][Ring1][Ring1][C][S][C][=C][Branch1][#Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][N][=Ring1][#Branch2][=N][C@@H1][Branch1][Branch1][C][S][Ring1][#C][C][Branch1][C][O][=O] | can_deepsmiles | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | From this messy {input_rep_type} {input_rep}, derive the clean {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 | Take [C][Branch2][Ring1][Ring1][C][S][C][=C][Branch1][#Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][N][=Ring1][#Branch2][=N][C@@H1][Branch1][Branch1][C][S][Ring1][#C][C][Branch1][C][O][=O] (a noisy SELFIES) and express it as proper InChI. Just provide the InChI without any explanation. | 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 | cross_rep_normalization:random_selfies->inchi | cross_rep_normalization | random_selfies | [C][Branch2][Ring1][Ring1][C][S][C][=C][Branch1][#Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][N][=Ring1][#Branch2][=N][C@@H1][Branch1][Branch1][C][S][Ring1][#C][C][Branch1][C][O][=O] | inchi | 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 | Take {input_rep} (a noisy {input_rep_type}) and express it as proper {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 | Take cccccncC=N[C@H]CO)=O))CS5)))))sc95)))))))O (a noisy DeepSMILES) and express it as proper SMILES. Please output the SMILES representation only. Do not output anything else. | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | cross_rep_normalization:random_deepsmiles->can_smiles | cross_rep_normalization | random_deepsmiles | cccccncC=N[C@H]CO)=O))CS5)))))sc95)))))))O | can_smiles | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | Take {input_rep} (a noisy {input_rep_type}) and express it as proper {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 | I have a non-standard DeepSMILES cccccncC=N[C@H]CO)=O))CS5)))))sc95)))))))O, please convert to canonical SELFIES. Output only the SELFIES representation, nothing else. | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | cross_rep_normalization:random_deepsmiles->can_selfies | cross_rep_normalization | random_deepsmiles | cccccncC=N[C@H]CO)=O))CS5)))))sc95)))))))O | can_selfies | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | I have a non-standard {input_rep_type} {input_rep}, please convert to canonical {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 | I have a non-standard DeepSMILES cccccncC=N[C@H]CO)=O))CS5)))))sc95)))))))O, please convert to canonical InChI. Output only the InChI representation, nothing else. | 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 | cross_rep_normalization:random_deepsmiles->inchi | cross_rep_normalization | random_deepsmiles | cccccncC=N[C@H]CO)=O))CS5)))))sc95)))))))O | inchi | 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 | I have a non-standard {input_rep_type} {input_rep}, please convert to canonical {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 | Clean up the randomized DeepSMILES Ccscccccc6)O))))n5)))))=N[C@@H]CS5))CO)=O and give me the SMILES. Return only the SMILES representation. | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | cross_rep_normalization:random_deepsmiles->can_smiles | cross_rep_normalization | random_deepsmiles | Ccscccccc6)O))))n5)))))=N[C@@H]CS5))CO)=O | can_smiles | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | Clean up the randomized {input_rep_type} {input_rep} and give me the {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 | DeepSMILES: Ccscccccc6)O))))n5)))))=N[C@@H]CS5))CO)=O. Turn this into standardized SELFIES. Just provide the SELFIES without any explanation. | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | cross_rep_normalization:random_deepsmiles->can_selfies | cross_rep_normalization | random_deepsmiles | Ccscccccc6)O))))n5)))))=N[C@@H]CS5))CO)=O | can_selfies | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | {input_rep_type}: {input_rep}. Turn this into standardized {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 | Take Ccscccccc6)O))))n5)))))=N[C@@H]CS5))CO)=O (a noisy DeepSMILES) and express it as proper InChI. Give me only the InChI, no additional text. | 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 | cross_rep_normalization:random_deepsmiles->inchi | cross_rep_normalization | random_deepsmiles | Ccscccccc6)O))))n5)))))=N[C@@H]CS5))CO)=O | inchi | 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 | Take {input_rep} (a noisy {input_rep_type}) and express it as proper {output_rep_type}. |
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 | I have a molecule in 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. What does it look like in SELFIES? Just provide the SELFIES without any explanation. | [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@... | can_reps_translation:can_smiles->can_selfies | can_reps_translation | 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 | can_selfies | [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@... | I have a molecule in {input_rep_type}: {input_rep}. What does it look like in {output_rep_type}? |
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 | Please convert 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: from SMILES to DeepSMILES. Output only the DeepSMILES representation, nothing else. | 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 | can_reps_translation:can_smiles->can_deepsmiles | can_reps_translation | 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 | 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 | Please convert {input_rep}: from {input_rep_type} to {output_rep_type}. |
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 | Please convert 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: from SMILES to InChI. Just provide the InChI without any explanation. | 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 | can_reps_translation:can_smiles->inchi | can_reps_translation | 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 | inchi | 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 | Please convert {input_rep}: from {input_rep_type} to {output_rep_type}. |
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 | Given [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][... | 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 | can_reps_translation:can_selfies->can_smiles | can_reps_translation | can_selfies | [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@... | 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 | Given {input_rep}: (in {input_rep_type}), give me the {output_rep_type}. |
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 | Please convert [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Bra... | 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 | can_reps_translation:can_selfies->can_deepsmiles | can_reps_translation | can_selfies | [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@... | 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 | Please convert {input_rep}: from {input_rep_type} to {output_rep_type}. |
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 | Transform [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1]... | 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 | can_reps_translation:can_selfies->inchi | can_reps_translation | can_selfies | [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@... | inchi | 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 | Transform {input_rep} from {input_rep_type} to {output_rep_type}: |
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 | I have a molecule in 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. What does it look like in SMILES? Return only the SMILES representation. | 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 | can_reps_translation:can_deepsmiles->can_smiles | can_reps_translation | 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 | 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 | I have a molecule in {input_rep_type}: {input_rep}. What does it look like in {output_rep_type}? |
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 | Given 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: (in DeepSMILES), give me the SELFIES. Return only the SELFIES representation. | [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@... | can_reps_translation:can_deepsmiles->can_selfies | can_reps_translation | 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 | can_selfies | [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@... | Given {input_rep}: (in {input_rep_type}), give me the {output_rep_type}. |
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 | I have a molecule in 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. What does it look like in InChI? Just provide the InChI without any explanation. | 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 | can_reps_translation:can_deepsmiles->inchi | can_reps_translation | 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 | inchi | 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 | I have a molecule in {input_rep_type}: {input_rep}. What does it look like in {output_rep_type}? |
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 | I have a molecule in InChI: 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. What does it look like in SMILES? Output only the SMIL... | 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 | can_reps_translation:inchi->can_smiles | can_reps_translation | inchi | 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 | 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 | I have a molecule in {input_rep_type}: {input_rep}. What does it look like in {output_rep_type}? |
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 | What is the SELFIES of this molecule? 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 Give me only the SELFIES, no additional text. | [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@... | can_reps_translation:inchi->can_selfies | can_reps_translation | inchi | 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 | can_selfies | [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@... | What is the {output_rep_type} of this molecule? {input_rep} |
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 | Transform 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 from InChI to DeepSMILES: Just provide the DeepSMILES without any explana... | 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 | can_reps_translation:inchi->can_deepsmiles | can_reps_translation | inchi | 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 | 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 | Transform {input_rep} from {input_rep_type} to {output_rep_type}: |
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 | For the chemical name (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, what is the SMILES? Give me only the SMILES, no additional text. | 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 | iupac_understanding:iupac->can_smiles | iupac_understanding | iupac | (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 | 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 | For the chemical name {input_rep}, what is the {output_rep_type}? |
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 | I know the name (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, please convert it to SELFIES. Give me only the SELFIES, no additional text. | [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@... | iupac_understanding:iupac->can_selfies | iupac_understanding | iupac | (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 | can_selfies | [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@... | I know the name {input_rep}, please convert it to {output_rep_type}. |
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 | I know the name (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, please convert it to 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 | iupac_understanding:iupac->can_deepsmiles | iupac_understanding | iupac | (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 | 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 | I know the name {input_rep}, please convert it to {output_rep_type}. |
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 | What InChI corresponds to the compound named (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? Output only the InChI representation, nothing else. | 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 | iupac_understanding:iupac->inchi | iupac_understanding | iupac | (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 | inchi | 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 | What {output_rep_type} corresponds to the compound named {input_rep}? |
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 | I have CML data <?xml version="1.0" encoding="utf-8"?>
<cml xmlns="http://www.xml-cml.org/schema" xmlns:convention="http://www.xml-cml.org/convention/" convention="convention:molecular">
<molecule id="m-1" formalCharge="0" spinMultiplicity="1">
<atomArray>
<atom id="a0" elementType="N" formalCharge="0" hydr... | 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 | cml_understanding:cml->can_smiles | cml_understanding | cml | <?xml version="1.0" encoding="utf-8"?>
<cml xmlns="http://www.xml-cml.org/schema" xmlns:convention="http://www.xml-cml.org/convention/" convention="convention:molecular">
<molecule id="m-1" formalCharge="0" spinMultiplicity="1">
<atomArray>
<atom id="a0" elementType="N" formalCharge="0" hydrogenCount="2"/>
... | 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 | I have CML data {input_rep}, extract the {output_rep_type} from it. |
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 | Parse this CML and tell me its SELFIES: <?xml version="1.0" encoding="utf-8"?>
<cml xmlns="http://www.xml-cml.org/schema" xmlns:convention="http://www.xml-cml.org/convention/" convention="convention:molecular">
<molecule id="m-1" formalCharge="0" spinMultiplicity="1">
<atomArray>
<atom id="a0" elementType="... | [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@... | cml_understanding:cml->can_selfies | cml_understanding | cml | <?xml version="1.0" encoding="utf-8"?>
<cml xmlns="http://www.xml-cml.org/schema" xmlns:convention="http://www.xml-cml.org/convention/" convention="convention:molecular">
<molecule id="m-1" formalCharge="0" spinMultiplicity="1">
<atomArray>
<atom id="a0" elementType="N" formalCharge="0" hydrogenCount="2"/>
... | can_selfies | [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@... | Parse this CML and tell me its {output_rep_type}: {input_rep} |
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 | Parse this CML and tell me its DeepSMILES: <?xml version="1.0" encoding="utf-8"?>
<cml xmlns="http://www.xml-cml.org/schema" xmlns:convention="http://www.xml-cml.org/convention/" convention="convention:molecular">
<molecule id="m-1" formalCharge="0" spinMultiplicity="1">
<atomArray>
<atom id="a0" elementTyp... | 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 | cml_understanding:cml->can_deepsmiles | cml_understanding | cml | <?xml version="1.0" encoding="utf-8"?>
<cml xmlns="http://www.xml-cml.org/schema" xmlns:convention="http://www.xml-cml.org/convention/" convention="convention:molecular">
<molecule id="m-1" formalCharge="0" spinMultiplicity="1">
<atomArray>
<atom id="a0" elementType="N" formalCharge="0" hydrogenCount="2"/>
... | 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 | Parse this CML and tell me its {output_rep_type}: {input_rep} |
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 | Read this CML and output the InChI: <?xml version="1.0" encoding="utf-8"?>
<cml xmlns="http://www.xml-cml.org/schema" xmlns:convention="http://www.xml-cml.org/convention/" convention="convention:molecular">
<molecule id="m-1" formalCharge="0" spinMultiplicity="1">
<atomArray>
<atom id="a0" elementType="N" f... | 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 | cml_understanding:cml->inchi | cml_understanding | cml | <?xml version="1.0" encoding="utf-8"?>
<cml xmlns="http://www.xml-cml.org/schema" xmlns:convention="http://www.xml-cml.org/convention/" convention="convention:molecular">
<molecule id="m-1" formalCharge="0" spinMultiplicity="1">
<atomArray>
<atom id="a0" elementType="N" formalCharge="0" hydrogenCount="2"/>
... | inchi | 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 | Read this CML and output the {output_rep_type}: {input_rep} |
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 | Please normalize OS(=O)(O)=O.O[C@@H]1[C@@H](N)[C@@H]([C@H](O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CN)[C@H](C[C@H]1N)N)CO)O to its canonical SMILES. Return only the SMILES representation. | 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 | intra_rep_normalization:random_smiles->can_smiles | intra_rep_normalization | random_smiles | OS(=O)(O)=O.O[C@@H]1[C@@H](N)[C@@H]([C@H](O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CN)[C@H](C[C@H]1N)N)CO)O | 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 | Please normalize {input_rep} to its canonical {output_rep_type}. |
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 | Standardize this (make it canonical): O1[C@@H]([C@@H](O)[C@@H]([C@@H](O)[C@H]1O[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](O)[C@@H](N)[C@@H]([C@H](O2)CO)O)[C@@H](C[C@@H]1N)N)O)CN.O=S(=O)(O)O 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 | intra_rep_normalization:random_smiles->can_smiles | intra_rep_normalization | random_smiles | O1[C@@H]([C@@H](O)[C@@H]([C@@H](O)[C@H]1O[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](O)[C@@H](N)[C@@H]([C@H](O2)CO)O)[C@@H](C[C@@H]1N)N)O)CN.O=S(=O)(O)O | 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 | Standardize this (make it canonical): {input_rep} |
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 | Fix the SELFIES notation in canonical way: [O][S][=Branch1][C][=O][Branch1][C][O][=O].[O][C@@H1][C@@H1][Branch1][C][N][C@@H1][Branch2][Branch1][Ring1][C@H1][Branch2][Ring2][=N][O][C@@H1][Ring1][#Branch1][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@@H1][Branch1][=N][C@@H1][Branch1][C][O]... | [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@... | intra_rep_normalization:random_selfies->can_selfies | intra_rep_normalization | random_selfies | [O][S][=Branch1][C][=O][Branch1][C][O][=O].[O][C@@H1][C@@H1][Branch1][C][N][C@@H1][Branch2][Branch1][Ring1][C@H1][Branch2][Ring2][=N][O][C@@H1][Ring1][#Branch1][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@@H1][Branch1][=N][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2]... | can_selfies | [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@... | Fix the {input_rep_type} notation in canonical way: {input_rep} |
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 | Standardize this (make it canonical): [O][C@@H1][Branch2][Branch1][O][C@@H1][Branch1][C][O][C@@H1][Branch2][Branch1][C][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][#Branch1][O][C@@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][N][C@@H1][Branch1][=Branch2][C@H1][Branch1]... | [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@... | intra_rep_normalization:random_selfies->can_selfies | intra_rep_normalization | random_selfies | [O][C@@H1][Branch2][Branch1][O][C@@H1][Branch1][C][O][C@@H1][Branch2][Branch1][C][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][#Branch1][O][C@@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][N][C@@H1][Branch1][=Branch2][C@H1][Branch1][Ring2][O][Ring1][Branch2][C][O][O][C@... | can_selfies | [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@... | Standardize this (make it canonical): {input_rep} |
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 | Standardize this (make it canonical): OS=O)O)=O.O[C@@H][C@@H]N)[C@@H][C@H]O[C@@H]6O[C@@H][C@@H]O)[C@H]O[C@H]O[C@@H][C@@H]O)[C@H]O)[C@H]6O))))CN))))))[C@H]C[C@H]6N)))N))))))))CO)))O 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 | intra_rep_normalization:random_deepsmiles->can_deepsmiles | intra_rep_normalization | random_deepsmiles | OS=O)O)=O.O[C@@H][C@@H]N)[C@@H][C@H]O[C@@H]6O[C@@H][C@@H]O)[C@H]O[C@H]O[C@@H][C@@H]O)[C@H]O)[C@H]6O))))CN))))))[C@H]C[C@H]6N)))N))))))))CO)))O | 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 | Standardize this (make it canonical): {input_rep} |
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 | Standardize this (make it canonical): O[C@@H][C@@H]O)[C@@H][C@@H]O)[C@H]6O[C@H][C@H]O)[C@@H]O[C@@H][C@H]O)[C@@H]N)[C@@H][C@H]O6)CO)))O))))))[C@@H]C[C@@H]6N)))N))))))))O)))CN.O=S=O)O)O Please output the DeepSMILES representation only. Do not output anything else. | 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 | intra_rep_normalization:random_deepsmiles->can_deepsmiles | intra_rep_normalization | random_deepsmiles | O[C@@H][C@@H]O)[C@@H][C@@H]O)[C@H]6O[C@H][C@H]O)[C@@H]O[C@@H][C@H]O)[C@@H]N)[C@@H][C@H]O6)CO)))O))))))[C@@H]C[C@@H]6N)))N))))))))O)))CN.O=S=O)O)O | 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 | Standardize this (make it canonical): {input_rep} |
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 | Take OS(=O)(O)=O.O[C@@H]1[C@@H](N)[C@@H]([C@H](O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CN)[C@H](C[C@H]1N)N)CO)O (a noisy SMILES) and express it as proper SELFIES. Please output the SELFIES representation only. Do not output anything else. | [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@... | cross_rep_normalization:random_smiles->can_selfies | cross_rep_normalization | random_smiles | OS(=O)(O)=O.O[C@@H]1[C@@H](N)[C@@H]([C@H](O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CN)[C@H](C[C@H]1N)N)CO)O | can_selfies | [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@... | Take {input_rep} (a noisy {input_rep_type}) and express it as proper {output_rep_type}. |
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 | Take OS(=O)(O)=O.O[C@@H]1[C@@H](N)[C@@H]([C@H](O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CN)[C@H](C[C@H]1N)N)CO)O (a noisy SMILES) and express it as proper DeepSMILES. Give me only the DeepSMILES, no additional text. | 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 | cross_rep_normalization:random_smiles->can_deepsmiles | cross_rep_normalization | random_smiles | OS(=O)(O)=O.O[C@@H]1[C@@H](N)[C@@H]([C@H](O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CN)[C@H](C[C@H]1N)N)CO)O | 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 | Take {input_rep} (a noisy {input_rep_type}) and express it as proper {output_rep_type}. |
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 | From this messy SMILES OS(=O)(O)=O.O[C@@H]1[C@@H](N)[C@@H]([C@H](O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CN)[C@H](C[C@H]1N)N)CO)O, derive the clean InChI. Just provide the InChI without any explanation. | 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 | cross_rep_normalization:random_smiles->inchi | cross_rep_normalization | random_smiles | OS(=O)(O)=O.O[C@@H]1[C@@H](N)[C@@H]([C@H](O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CN)[C@H](C[C@H]1N)N)CO)O | inchi | 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 | From this messy {input_rep_type} {input_rep}, derive the clean {output_rep_type}. |
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 SMILES O1[C@@H]([C@@H](O)[C@@H]([C@@H](O)[C@H]1O[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](O)[C@@H](N)[C@@H]([C@H](O2)CO)O)[C@@H](C[C@@H]1N)N)O)CN.O=S(=O)(O)O may not be canonical. Normalize it and output as SELFIES. Just provide the SELFIES without any explanation. | [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@... | cross_rep_normalization:random_smiles->can_selfies | cross_rep_normalization | random_smiles | O1[C@@H]([C@@H](O)[C@@H]([C@@H](O)[C@H]1O[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](O)[C@@H](N)[C@@H]([C@H](O2)CO)O)[C@@H](C[C@@H]1N)N)O)CN.O=S(=O)(O)O | can_selfies | [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@... | This {input_rep_type} {input_rep} may not be canonical. Normalize it and output as {output_rep_type}. |
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 | SMILES: O1[C@@H]([C@@H](O)[C@@H]([C@@H](O)[C@H]1O[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](O)[C@@H](N)[C@@H]([C@H](O2)CO)O)[C@@H](C[C@@H]1N)N)O)CN.O=S(=O)(O)O. Turn this into standardized DeepSMILES. Output only the DeepSMILES representation, nothing else. | 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 | cross_rep_normalization:random_smiles->can_deepsmiles | cross_rep_normalization | random_smiles | O1[C@@H]([C@@H](O)[C@@H]([C@@H](O)[C@H]1O[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](O)[C@@H](N)[C@@H]([C@H](O2)CO)O)[C@@H](C[C@@H]1N)N)O)CN.O=S(=O)(O)O | 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 | {input_rep_type}: {input_rep}. Turn this into standardized {output_rep_type}. |
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 | SMILES: O1[C@@H]([C@@H](O)[C@@H]([C@@H](O)[C@H]1O[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](O)[C@@H](N)[C@@H]([C@H](O2)CO)O)[C@@H](C[C@@H]1N)N)O)CN.O=S(=O)(O)O. Turn this into standardized InChI. Please output the InChI representation only. Do not output anything else. | 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 | cross_rep_normalization:random_smiles->inchi | cross_rep_normalization | random_smiles | O1[C@@H]([C@@H](O)[C@@H]([C@@H](O)[C@H]1O[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](O)[C@@H](N)[C@@H]([C@H](O2)CO)O)[C@@H](C[C@@H]1N)N)O)CN.O=S(=O)(O)O | inchi | 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 | {input_rep_type}: {input_rep}. Turn this into standardized {output_rep_type}. |
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 | Take [O][S][=Branch1][C][=O][Branch1][C][O][=O].[O][C@@H1][C@@H1][Branch1][C][N][C@@H1][Branch2][Branch1][Ring1][C@H1][Branch2][Ring2][=N][O][C@@H1][Ring1][#Branch1][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@@H1][Branch1][=N][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Bra... | 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 | cross_rep_normalization:random_selfies->can_smiles | cross_rep_normalization | random_selfies | [O][S][=Branch1][C][=O][Branch1][C][O][=O].[O][C@@H1][C@@H1][Branch1][C][N][C@@H1][Branch2][Branch1][Ring1][C@H1][Branch2][Ring2][=N][O][C@@H1][Ring1][#Branch1][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@@H1][Branch1][=N][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2]... | 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 | Take {input_rep} (a noisy {input_rep_type}) and express it as proper {output_rep_type}. |
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 | I have a non-standard SELFIES [O][S][=Branch1][C][=O][Branch1][C][O][=O].[O][C@@H1][C@@H1][Branch1][C][N][C@@H1][Branch2][Branch1][Ring1][C@H1][Branch2][Ring2][=N][O][C@@H1][Ring1][#Branch1][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@@H1][Branch1][=N][C@@H1][Branch1][C][O][C@H1][Branch... | 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 | cross_rep_normalization:random_selfies->can_deepsmiles | cross_rep_normalization | random_selfies | [O][S][=Branch1][C][=O][Branch1][C][O][=O].[O][C@@H1][C@@H1][Branch1][C][N][C@@H1][Branch2][Branch1][Ring1][C@H1][Branch2][Ring2][=N][O][C@@H1][Ring1][#Branch1][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@@H1][Branch1][=N][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2]... | 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 | I have a non-standard {input_rep_type} {input_rep}, please convert to canonical {output_rep_type}. |
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 | I have a non-standard SELFIES [O][S][=Branch1][C][=O][Branch1][C][O][=O].[O][C@@H1][C@@H1][Branch1][C][N][C@@H1][Branch2][Branch1][Ring1][C@H1][Branch2][Ring2][=N][O][C@@H1][Ring1][#Branch1][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@@H1][Branch1][=N][C@@H1][Branch1][C][O][C@H1][Branch... | 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 | cross_rep_normalization:random_selfies->inchi | cross_rep_normalization | random_selfies | [O][S][=Branch1][C][=O][Branch1][C][O][=O].[O][C@@H1][C@@H1][Branch1][C][N][C@@H1][Branch2][Branch1][Ring1][C@H1][Branch2][Ring2][=N][O][C@@H1][Ring1][#Branch1][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@@H1][Branch1][=N][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2]... | inchi | 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 | I have a non-standard {input_rep_type} {input_rep}, please convert to canonical {output_rep_type}. |
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 | Take [O][C@@H1][Branch2][Branch1][O][C@@H1][Branch1][C][O][C@@H1][Branch2][Branch1][C][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][#Branch1][O][C@@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][N][C@@H1][Branch1][=Branch2][C@H1][Branch1][Ring2][O][Ring1][Branch2][C][O][... | 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 | cross_rep_normalization:random_selfies->can_smiles | cross_rep_normalization | random_selfies | [O][C@@H1][Branch2][Branch1][O][C@@H1][Branch1][C][O][C@@H1][Branch2][Branch1][C][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][#Branch1][O][C@@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][N][C@@H1][Branch1][=Branch2][C@H1][Branch1][Ring2][O][Ring1][Branch2][C][O][O][C@... | 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 | Take {input_rep} (a noisy {input_rep_type}) and express it as proper {output_rep_type}. |
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