smiles stringlengths 2 611 | question_style stringclasses 4
values | question stringlengths 65 683 | options listlengths 4 4 | answer stringclasses 4
values | difficulty_tier stringclasses 3
values | question_variant stringclasses 2
values |
|---|---|---|---|---|---|---|
CC(C)(C)C1CCC2(CC1)OO[Si](C)(C)CC[Si](C)(C)OO2 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)C1CCC2(CC1)OO[Si](C)(C)CC[Si](C)(C)OO2? | [
"peroxo + silyl ether",
"peroxo + silanol",
"aldehyde + silyl ether",
"peroxo + siloxane"
] | A | hard | standard |
CC(C)(C)C=[C](B1OC(C)(C)C(C)(C)O1)[Zr]12345678([Cl])([CH]9[CH]1[CH]2[CH]3[CH]94)[CH]1[CH]5[CH]6[CH]7[CH]18 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)C=[C](B1OC(C)(C)C(C)(C)O1)[Zr]12345678([Cl])([CH]9[CH]1[CH]2[CH]3[CH]94)[CH]1[CH]5[CH]6[CH]7[CH]18? | [
"boronic ester + chloroalkene",
"boronic acid + chloride",
"boronic ester + chloride",
"aryl chloride + boronic ester"
] | C | hard | standard |
CC(C)(C)CB1NC(CC(C)(C)C)CS1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)CB1NC(CC(C)(C)C)CS1? | [
"boronamide + sulfenic derivative",
"boronamide + sulfenic halide",
"isourea + sulfenic derivative",
"boronamide + sulfenic acid"
] | A | medium | standard |
CC(C)(C)CC(C)(C)c1ccc(OP(=O)(O)C(N)CCc2ccccc2)cc1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)CC(C)(C)c1ccc(OP(=O)(O)C(N)CCc2ccccc2)cc1? | [
"guanidine + primary amine",
"phosphonic monoester + secondary amine",
"phosphonic monoester + primary amine",
"phosphonic monoester + tertiary amine"
] | C | medium | standard |
CC(C)(C)CC(C)(C)c1ccc(OP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)c(Sc2cc(C(C)(C)CC(C)(C)C)ccc2OP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)c1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)CC(C)(C)c1ccc(OP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)c(Sc2cc(C(C)(C)CC(C)(C)C)ccc2OP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)c1? | [
"phosphite ester + thioether",
"aryl thiol + phosphite ester",
"phosphite ester + thiol",
"sulfoxide + thioether"
] | A | medium | standard |
CC(C)(C)CC(NC(=O)N1CCS(=O)(=O)CC1)C(F)(F)F | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)CC(NC(=O)N1CCS(=O)(=O)CC1)C(F)(F)F? | [
"isourea + sulfone",
"sulfonic ester + urea",
"sulfone + urea",
"biuret + sulfone"
] | C | hard | standard |
CC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)N3CCS(=O)(=O)CC3)CC2)no1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)N3CCS(=O)(=O)CC3)CC2)no1? | [
"biuret + sulfone",
"sulfone + urea",
"isourea + sulfone",
"sulfonic ester + urea"
] | B | hard | standard |
CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)c(CN2CCS(=O)(=O)CC2)s1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)c(CN2CCS(=O)(=O)CC2)s1? | [
"isourea + sulfone",
"biuret + sulfone",
"sulfone + urea",
"sulfonic ester + urea"
] | C | hard | standard |
CC(C)(C)c1cc(NC(=O)Nc2ccc3ccccc3c2)c(CN2CCS(=O)(=O)CC2)s1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc3ccccc3c2)c(CN2CCS(=O)(=O)CC2)s1? | [
"sulfone + urea",
"biuret + sulfone",
"isourea + sulfone",
"sulfonic ester + urea"
] | A | hard | standard |
CC(C)(C)c1cc(NC(=O)Nc2ccc3ccccc3c2)n(C(=O)N2CCS(=O)(=O)CC2)n1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc3ccccc3c2)n(C(=O)N2CCS(=O)(=O)CC2)n1? | [
"sulfonic ester + urea",
"sulfone + urea",
"biuret + sulfone",
"isourea + sulfone"
] | B | hard | standard |
CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(C(=O)N2CCS(=O)(=O)CC2)n1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(C(=O)N2CCS(=O)(=O)CC2)n1? | [
"isourea + sulfone",
"sulfonic ester + urea",
"sulfone + urea",
"biuret + sulfone"
] | C | hard | standard |
CC(C)(C)c1ccc2oc(N3CCCN(C(=O)N4CCS(=O)(=O)CC4)CC3)nc2c1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)c1ccc2oc(N3CCCN(C(=O)N4CCS(=O)(=O)CC4)CC3)nc2c1? | [
"sulfone + urea",
"sulfonic ester + urea",
"isothiourea + sulfone",
"biuret + sulfone"
] | A | hard | standard |
CC(C)(C)CCC1(O)CC2CCC(C1)S2=O | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)CCC1(O)CC2CCC(C1)S2=O? | [
"phosphinic acid + sulfoxide",
"hydroxy + selenone",
"hydroxy + sulfoxide",
"hydroxy + phosphoric diester"
] | C | easy | standard |
CC(C)(C)CCN1CCN(c2snc(Cl)c2C#N)CC1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)CCN1CCN(c2snc(Cl)c2C#N)CC1? | [
"tertiary amine + thiocyanate",
"nitrile + secondary amine",
"nitrile + tertiary amine",
"nitrile + primary amine"
] | C | hard | standard |
CC(C)(C)CC[Si](C)(C)c1ccn(-c2ccc3c(n2)N2C[C@@H](CCCNc4cccc(n4)S(=O)(=O)NC3=O)CC2(C)C)n1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)CC[Si](C)(C)c1ccn(-c2ccc3c(n2)N2C[C@@H](CCCNc4cccc(n4)S(=O)(=O)NC3=O)CC2(C)C)n1? | [
"acyl sulfonamide + silane",
"acyl sulfonamide + phosphine oxide",
"acyl sulfonamide + phosphorylen",
"phosphoric monoester + silane"
] | A | easy | standard |
CC(C)(C)CNS(=O)(=O)C1CS(=O)(=O)c2ccccc21 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)CNS(=O)(=O)C1CS(=O)(=O)c2ccccc21? | [
"sulfonamide + sulfonic ester",
"sulfamide + sulfone",
"sulfonamide + sulfone",
"sulfonamide + sulfonic halide"
] | C | hard | standard |
CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ccnc2cc1NCCOCCOCCOCCOCCOCCONCc1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ccnc2cc1NCCOCCOCCOCCOCCOCCONCc1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1? | [
"sulfonamide + sulfonic ester",
"sulfamide + sulfone",
"sulfonamide + sulfonic halide",
"sulfonamide + sulfone"
] | D | hard | standard |
CC(C)(C)c1cc2c(-c3ccc(S(=O)(=O)NC4CCS(=O)(=O)CC4)cc3)ccnc2[nH]1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)c1cc2c(-c3ccc(S(=O)(=O)NC4CCS(=O)(=O)CC4)cc3)ccnc2[nH]1? | [
"sulfamide + sulfone",
"sulfonamide + sulfonic ester",
"sulfonamide + sulfone",
"sulfonamide + sulfonic halide"
] | C | hard | standard |
CC(C)(C)COC(C)(C)[Si](C)(C)C(C)(C)C | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)COC(C)(C)[Si](C)(C)C(C)(C)C? | [
"ether + silicic acid derivative",
"phenol + silane",
"ether + silane",
"ether + silyl halide"
] | C | hard | standard |
CC(C)(C)c1ccc(OCCCOc2cc(CCCOc3ccc(OCCCc4cc(OCCCCCCCCCCOc5ccc(CC[Si](C)(C)C)cc5)cc(OCCCOc5ccc(C(C)(C)C)cc5)c4)cc3)cc(OCCCCCCCCCCOc3ccc(CC[Si](C)(C)C)cc3)c2)cc1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)c1ccc(OCCCOc2cc(CCCOc3ccc(OCCCc4cc(OCCCCCCCCCCOc5ccc(CC[Si](C)(C)C)cc5)cc(OCCCOc5ccc(C(C)(C)C)cc5)c4)cc3)cc(OCCCCCCCCCCOc3ccc(CC[Si](C)(C)C)cc3)c2)cc1? | [
"ether + silane",
"phenol + silane",
"ether + silicic acid derivative",
"ether + silyl halide"
] | A | hard | standard |
CC(C)(C)Cc1cc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)no1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)Cc1cc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)no1? | [
"secondary amine + sulfone",
"carbonic acid diester + secondary amine",
"nitrosamide + sulfone",
"secondary amine + semicarbazide"
] | A | medium | standard |
CC(C)(C)Cn1cc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)cn1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)Cn1cc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)cn1? | [
"secondary amine + semicarbazide",
"nitrosamide + sulfone",
"carbonic acid diester + secondary amine",
"secondary amine + sulfone"
] | D | medium | standard |
CC(C)(C)OCCN[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)OCCN[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21? | [
"cyanohydrin + sulfone",
"carbonic acid diester + secondary amine",
"acyl azide + secondary amine",
"secondary amine + sulfone"
] | D | medium | standard |
CC(C)(C)OC[C@H](O)CN1CCS(=O)(=O)C(C)(C)C1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)OC[C@H](O)CN1CCS(=O)(=O)C(C)(C)C1? | [
"sulfone + tertiary amine",
"sulfenic ester + tertiary amine",
"sulfilimine + sulfone",
"oxim-ester + sulfone"
] | A | medium | standard |
CC(C)(C)O[C@H]1C[C@@H]1CN[C@H]1CS(=O)(=O)C[C@@H](Cc2cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c2)[C@@H]1O | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)O[C@H]1C[C@@H]1CN[C@H]1CS(=O)(=O)C[C@@H](Cc2cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c2)[C@@H]1O? | [
"secondary amine + semicarbazide",
"carbonic acid diester + secondary amine",
"secondary amine + sulfone",
"nitrosamide + sulfone"
] | C | medium | standard |
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(-c4cc[nH]n4)c3)[C@@H]2O)c1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(-c4cc[nH]n4)c3)[C@@H]2O)c1? | [
"carbonic acid esterhalide + secondary amine",
"secondary amine + semicarbazide",
"N-oxide + sulfone",
"secondary amine + sulfone"
] | D | medium | standard |
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(-c4ccco4)c3)[C@@H]2O)c1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(-c4ccco4)c3)[C@@H]2O)c1? | [
"carbonic acid esterhalide + secondary amine",
"N-oxide + sulfone",
"secondary amine + sulfone",
"secondary amine + semicarbazide"
] | C | medium | standard |
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC4CCC4)c3)[C@@H]2O)c1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC4CCC4)c3)[C@@H]2O)c1? | [
"carbonic acid diester + secondary amine",
"nitrosamide + sulfone",
"secondary amine + semicarbazide",
"secondary amine + sulfone"
] | D | medium | standard |
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c4c(c3)C3(CCC3)CN4)[C@@H]2O)c1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c4c(c3)C3(CCC3)CN4)[C@@H]2O)c1? | [
"secondary amine + semicarbazide",
"secondary amine + sulfone",
"carbonic acid esterhalide + secondary amine",
"nitrosamide + sulfone"
] | B | medium | standard |
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(N)c(Br)c3)[C@@H]2O)c1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(N)c(Br)c3)[C@@H]2O)c1? | [
"secondary amine + sulfone",
"carbonic acid diester + secondary amine",
"nitrosamide + sulfone",
"secondary amine + semicarbazide"
] | A | medium | standard |
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc4[nH]cc(CC(F)(F)F)c4c3)[C@@H]2O)c1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc4[nH]cc(CC(F)(F)F)c4c3)[C@@H]2O)c1? | [
"secondary amine + sulfone",
"nitrosamide + sulfone",
"secondary amine + semicarbazide",
"carbonic acid esterhalide + secondary amine"
] | A | medium | standard |
CC(C)(C)c1ccnc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)c1ccnc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1? | [
"nitrosamide + sulfone",
"secondary amine + sulfone",
"carbonic acid diester + secondary amine",
"secondary amine + semicarbazide"
] | B | medium | standard |
CC(C)(CS(C)(=O)=O)NCc1cnsn1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(CS(C)(=O)=O)NCc1cnsn1? | [
"cyanohydrin + sulfone",
"secondary amine + sulfone",
"acyl azide + secondary amine",
"carbonic acid diester + secondary amine"
] | B | medium | standard |
CC(C)(F)[C@](C)(F)C[C@H](O)[C@H](N)C1CS(=O)(=O)C1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(F)[C@](C)(F)C[C@H](O)[C@H](N)C1CS(=O)(=O)C1? | [
"acyl sulfonamide + sulfone",
"primary amine + semicarbazide",
"carbonic acid esterhalide + primary amine",
"primary amine + sulfone"
] | D | medium | standard |
CC(C)(O)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(O)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1? | [
"nitrosamide + sulfone",
"carbonic acid diester + secondary amine",
"secondary amine + semicarbazide",
"secondary amine + sulfone"
] | D | medium | standard |
CC(C)(C)N(Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(-c2no[n+]([O-])c2C#N)c1)N=O | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)N(Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(-c2no[n+]([O-])c2C#N)c1)N=O? | [
"carbamic acid + N-oxide",
"N-oxide + nitroso",
"hydrazinecarboxylate + N-oxide",
"carbonyl + nitroso"
] | B | medium | standard |
CC(C)(C)N1C(c2ccccc2)=[N+](C(C)(C)C)[Si-]123O[Si-]1(O2)(O[Si-]24(O[Si-]5(O2)(O3)N(C(C)(C)C)C(c2ccccc2)=[N+]5C(C)(C)C)N(C(C)(C)C)C(c2ccccc2)=[N+]4C(C)(C)C)N(C(C)(C)C)C(c2ccccc2)=[N+]1C(C)(C)C | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)N1C(c2ccccc2)=[N+](C(C)(C)C)[Si-]123O[Si-]1(O2)(O[Si-]24(O[Si-]5(O2)(O3)N(C(C)(C)C)C(c2ccccc2)=[N+]5C(C)(C)C)N(C(C)(C)C)C(c2ccccc2)=[N+]4C(C)(C)C)N(C(C)(C)C)C(c2ccccc2)=[N+]1C(C)(C)C? | [
"phosphinous ester + siloxane",
"boronic ester + imine",
"imine + siloxane",
"imine + phosphinic ester"
] | C | easy | standard |
CC(C)C(C)(C)[Si](C)(C)O[Si]1(O[Si](C)(C)C(C)(C)C(C)C)n2c3c4cc5ccccc5cc4c2/N=C2N=C(/N=c4/c5cc6ccccc6cc5/c(n41)=N/C1=NC(=N\3)/c3cc4ccccc4cc31)c1cc3ccccc3cc1\2 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)C(C)(C)[Si](C)(C)O[Si]1(O[Si](C)(C)C(C)(C)C(C)C)n2c3c4cc5ccccc5cc4c2/N=C2N=C(/N=c4/c5cc6ccccc6cc5/c(n41)=N/C1=NC(=N\3)/c3cc4ccccc4cc31)c1cc3ccccc3cc1\2? | [
"silanol + siloxane",
"imine + phosphinic ester",
"imine + siloxane",
"boronic ester + imine"
] | C | easy | standard |
CC(C)(C)N=C1C=C(NCC2COC2)C2=[S+]C(c3ccnn3C3CCCCO3)=CC2=N1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)N=C1C=C(NCC2COC2)C2=[S+]C(c3ccnn3C3CCCCO3)=CC2=N1? | [
"enamine + thiol",
"iminoarene + sulfonium",
"aryl thiol + enamine",
"enamine + sulfonium"
] | D | hard | standard |
CC(C)(C)N=P(Cl)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)N=P(Cl)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C? | [
"aryl fluoride + silane",
"phosphine + phosphoric acid derivative",
"borane + phosphoric acid derivative",
"phosphoric acid derivative + silane"
] | D | easy | standard |
CC(C)(C)NC(=O)C[C@H](NC(=O)c1ccccc1)C(=O)NCc1cccc(B(O)O)c1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)NC(=O)C[C@H](NC(=O)c1ccccc1)C(=O)NCc1cccc(B(O)O)c1? | [
"amide + ortho ester",
"boronic acid + enolester",
"acetal + amide",
"amide + boronic acid"
] | D | medium | standard |
CC(C)C[C@H](NC(=O)CNC(=O)CC(C)(C)C)B(O)O | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)C[C@H](NC(=O)CNC(=O)CC(C)(C)C)B(O)O? | [
"boronic acid + enolester",
"acetal + amide",
"amide + boronic acid",
"amide + ortho ester"
] | C | medium | standard |
CC(C)(C)NC(=O)N1CC1C#N | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)NC(=O)N1CC1C#N? | [
"biuret + nitrile",
"isocyanate + urea",
"nitrile + urea",
"isourea + nitrile"
] | C | hard | standard |
CC(C)(C)NC(=O)c1ccc2c(c1)[Si](C)(C)CC[Si]2(C)C | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)NC(=O)c1ccc2c(c1)[Si](C)(C)CC[Si]2(C)C? | [
"amide + silane",
"amide + silyl halide",
"amide + silicic acid derivative",
"lactam + silane"
] | A | hard | standard |
CC(C)(C)NCC(O)COc1nscc1C#N | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)NCC(O)COc1nscc1C#N? | [
"hydroxy + phosphoric monoamide",
"nitrile + phosphinic ester",
"hydroxy + phosphoric diestermonoamide",
"hydroxy + nitrile"
] | D | easy | standard |
CC(C)(C)[C@H](NC(=O)C1(C#N)CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCCOCCn1cc(CCCC(=O)N2CCC(C3CCNc4c(C(N)=O)c(-c5ccc(Oc6ccccc6)cc5)nn43)CC2)nn1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)[C@H](NC(=O)C1(C#N)CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCCOCCn1cc(CCCC(=O)N2CCC(C3CCNc4c(C(N)=O)c(-c5ccc(Oc6ccccc6)cc5)nn43)CC2)nn1? | [
"hydroxy + phosphoric monoamide",
"nitrile + phosphinic ester",
"hydroxy + nitrile",
"hydroxy + phosphoric diestermonoamide"
] | C | easy | standard |
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)C1CCN(C(=O)c2cc(N=C=S)ccc2-c2c3ccc(=O)cc-3oc3cc(O)ccc23)CC1)C(=O)N[C@@H](CO)C(N)=O | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)C1CCN(C(=O)c2cc(N=C=S)ccc2-c2c3ccc(=O)cc-3oc3cc(O)ccc23)CC1)C(=O)N[C@@H](CO)C(N)=O? | [
"boronic ester + isothiocyanate",
"hydroxy + isothiocyanate",
"hydroxy + seleninic acid",
"hydroxy + phosphinic acid"
] | B | easy | standard |
CC(C)(C)NC[C@@H](COc1nsnc1N1CCOCC1)OC(=O)c1ccc(OCCO[N+](=O)[O-])cc1OCCO[N+](=O)[O-] | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)NC[C@@H](COc1nsnc1N1CCOCC1)OC(=O)c1ccc(OCCO[N+](=O)[O-])cc1OCCO[N+](=O)[O-]? | [
"carboxylic ester + hydroxamic acid",
"carboxylic ester + nitro",
"nitro + sulfinic amide",
"carboxylic ester + sulfonic halide"
] | B | medium | standard |
CC(C)(C)NS(=O)(=O)c1ccc(B(O)O)cc1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)NS(=O)(=O)c1ccc(B(O)O)cc1? | [
"boronic acid + phosphonic acid",
"boronic acid + phosphoric monoestermonoamide",
"boronic acid + sulfonamide",
"phosphinic ester + sulfonamide"
] | C | easy | standard |
CC(C)(C)OC(=O)CCC(Nc1ccc(CN(CCc2c(N)nc(N)nc2O)c2cc(F)cc(F)c2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)OC(=O)CCC(Nc1ccc(CN(CCc2c(N)nc(N)nc2O)c2cc(F)cc(F)c2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C? | [
"phenol + silanol",
"nitro + selenonic acid",
"nitro + phosphite ester",
"nitro + phenol"
] | D | easy | standard |
CC(C)(C)OC(=O)CN(Sc1cc(Cl)cc(Cl)c1)c1ccc2c(ccn2-c2cnc(NC3CCOCC3)cn2)c1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)OC(=O)CN(Sc1cc(Cl)cc(Cl)c1)c1ccc2c(ccn2-c2cnc(NC3CCOCC3)cn2)c1? | [
"sulfenic amide + sulfinic amide",
"carboxylic ester + sulfonic acid",
"carboxylic ester + sulfenic amide",
"carboxylic ester + sulfinic ester"
] | C | medium | standard |
CC(C)(C)OC(=O)COC(COCCOCCOPOC(COCCOCCO)COCCOCCO)COCCOCCOP(CCCC#N)OC(COCCOCCO)COCCOCCO | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)OC(=O)COC(COCCOCCOPOC(COCCOCCO)COCCOCCO)COCCOCCOP(CCCC#N)OC(COCCOCCO)COCCOCCO? | [
"aldehyde + phosphonous diester",
"carboxylic ester + isocyanate",
"carboxylic ester + phosphonous diester",
"carboxylic ester + nitrosamine"
] | C | medium | standard |
CC(C)(C)OC(=O)C[C@@H](C(=O)OC(C)(C)C)N(CCOCCOCCOCCN([C@@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-] | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)OC(=O)C[C@@H](C(=O)OC(C)(C)C)N(CCOCCOCCOCCN([C@@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-]? | [
"nitro + sulfonamide",
"silanol + sulfonamide",
"nitro + phosphonic diester",
"nitro + peroxyseleninic acid"
] | A | easy | standard |
CC(C)(C)OC(=O)N1CCC(C(=O)N(Cc2ccc(NS(=O)(=O)O)cc2)c2nc(-c3cccs3)cs2)CC1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)OC(=O)N1CCC(C(=O)N(Cc2ccc(NS(=O)(=O)O)cc2)c2nc(-c3cccs3)cs2)CC1? | [
"peroxyseleninic acid + sulfuric monoamide",
"sulfuric monoamide + urethane",
"selenonic acid + urethane",
"selenone + sulfuric monoamide"
] | B | easy | standard |
CC(C)(C)OC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NNC(=O)[C@@H]2CC[C@@H]4CN2C(=O)N4OS(=O)(=O)[O-])cn3C2CC2)CC1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)OC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NNC(=O)[C@@H]2CC[C@@H]4CN2C(=O)N4OS(=O)(=O)[O-])cn3C2CC2)CC1? | [
"sulfuric monoester + urethane",
"selenone + sulfuric monoester",
"peroxyseleninic acid + urethane",
"phosphinic ester + sulfuric monoester"
] | A | easy | standard |
CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N(S(=O)(=O)O)[C@@H]1CN1C[C@@H](CNC(=N)N)OC1=O)c1csc(N)n1)C(=O)O | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N(S(=O)(=O)O)[C@@H]1CN1C[C@@H](CNC(=N)N)OC1=O)c1csc(N)n1)C(=O)O? | [
"phosphonic acid + urethane",
"selenone + sulfuric monoamide",
"sulfuric monoamide + urethane",
"phosphinic ester + sulfuric monoamide"
] | C | easy | standard |
CC(C)(C)OC(=O)N1CCCC1c1nc(-c2cc3cc4sc(-c5cn(COCC[Si](C)(C)C)c(C6CCCN6C(=O)OC(C)(C)C)n5)cc4cc3s2)cn1COCC[Si](C)(C)C | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)OC(=O)N1CCCC1c1nc(-c2cc3cc4sc(-c5cn(COCC[Si](C)(C)C)c(C6CCCN6C(=O)OC(C)(C)C)n5)cc4cc3s2)cn1COCC[Si](C)(C)C? | [
"borane + ether",
"ether + silane",
"phosphonous diester + silane",
"ether + phosphine oxide"
] | B | easy | standard |
CC(C)(C)OC1([Si])CCCCO1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)OC1([Si])CCCCO1? | [
"ether + phosphine oxide",
"borane + ether",
"phosphonous diester + silane",
"ether + silane"
] | D | easy | standard |
CC(C)CC1OCCC(Cl)=C1[Si](C)(C)C | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)CC1OCCC(Cl)=C1[Si](C)(C)C? | [
"ether + silane",
"borane + ether",
"phosphonous diester + silane",
"ether + phosphine oxide"
] | A | easy | standard |
CC(C)(C)OC(=O)N1CCCN1C#N | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)OC(=O)N1CCCN1C#N? | [
"hydrazinecarboxylate + nitrile",
"hydrazinecarboxylate + semicarbazide",
"hydrazinecarboxylate + lactam",
"amidrazone + nitrile"
] | A | medium | standard |
CC(C)(C)OC(=O)N1NCC[C@H]1CN | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)OC(=O)N1NCC[C@H]1CN? | [
"hydrazinecarboxylate + secondary amine",
"hydrazinecarboxylate + primary amine",
"primary amine + semicarbazide",
"hydrazinecarboxylate + tertiary amine"
] | B | hard | standard |
CC(C)(C)OC(=O)NC1(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCC1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)OC(=O)NC1(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCC1? | [
"boronic ester + hydroxamic acid",
"boronic ester + carbamic acid",
"boronic ester + urethane",
"boronic acid + urethane"
] | C | hard | standard |
CC(C)(C)OC(=O)NC1CN(c2cc(Cl)nc3cc([C@@H]4CCCCN4C(=O)c4cc(Cl)ccc4NS(C)(=O)=O)nn23)C1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)OC(=O)NC1CN(c2cc(Cl)nc3cc([C@@H]4CCCCN4C(=O)c4cc(Cl)ccc4NS(C)(=O)=O)nn23)C1? | [
"aryl chloride + phosphonic diester",
"aryl chloride + peroxyseleninic acid",
"aryl chloride + sulfonamide",
"selenoxide + sulfonamide"
] | C | easy | standard |
CC(C)(C)OC(=O)c1cnc(Cl)s1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)OC(=O)c1cnc(Cl)s1? | [
"aryl chloride + carboxylic ester",
"aryl chloride + thionyl",
"aryl chloride + nitroso",
"carboxylic ester + chloride"
] | A | medium | standard |
CC(C)(C)OP(=O)(OCC[Si](C)(c1ccccc1)c1ccccc1)OCC[Si](C)(c1ccccc1)c1ccccc1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)OP(=O)(OCC[Si](C)(c1ccccc1)c1ccccc1)OCC[Si](C)(c1ccccc1)c1ccccc1? | [
"phosphoric triester + silyl halide",
"phosphoric triester + silane",
"phosphoric diester + silane",
"phosphoric triester + silicic acid derivative"
] | B | hard | standard |
CC(C)(C)O[C@H]1C[C@@H](NC(=O)Nc2cnsn2)C12CCC2 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)O[C@H]1C[C@@H](NC(=O)Nc2cnsn2)C12CCC2? | [
"ether + sulfoxide",
"ether + urea",
"ether + hydrazone",
"phenol + urea"
] | B | medium | standard |
CC(C)(CCc1ccccc1)NC(=O)N[C@@H]1CCOC2(CCSCC2)C1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(CCc1ccccc1)NC(=O)N[C@@H]1CCOC2(CCSCC2)C1? | [
"ether + urea",
"ether + hydrazone",
"ether + sulfoxide",
"phenol + urea"
] | A | medium | standard |
CC(C)(C)O[Si](C)(C)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)O[Si](C)(C)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C? | [
"selenoxide + silane",
"borane + silyl ether",
"phosphinous ester + silane",
"silane + silyl ether"
] | D | easy | standard |
CC(C)(C)P(P(=C([Si](C)(C)C)[Si](C)(C)C)(c1ccccc1)c1ccccc1)P(=C([Si](C)(C)C)[Si](C)(C)C)(c1ccccc1)c1ccccc1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)P(P(=C([Si](C)(C)C)[Si](C)(C)C)(c1ccccc1)c1ccccc1)P(=C([Si](C)(C)C)[Si](C)(C)C)(c1ccccc1)c1ccccc1? | [
"phosphonous derivatives + silicic acid derivative",
"phosphonous derivatives + silane",
"phosphonium + silane",
"phosphonous derivatives + silyl halide"
] | B | medium | standard |
CC(C)(C)P(P=P(C(C)(C)C)(C(C)(C)C)C(F)(F)F)C(C)(C)C | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)P(P=P(C(C)(C)C)(C(C)(C)C)C(F)(F)F)C(C)(C)C? | [
"phosphinous derivatives + trifluoromethyl",
"sulfuric monoamide + trifluoromethyl",
"phosphinous derivatives + siloxane",
"phosphinous derivatives + phosphoric triamide"
] | A | easy | standard |
CC(C)(C)Sc1ccc([N+](=O)[O-])c2nonc12 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)Sc1ccc([N+](=O)[O-])c2nonc12? | [
"aryl thiol + nitro",
"nitro + thioether",
"nitro + thiol",
"thioether + thiohemiacetal"
] | B | medium | standard |
CC(C)(C)[C@@H](O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[C@@H]1CCC[C@@H](C=O)[C@@H]1O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)[C@@H](O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[C@@H]1CCC[C@@H](C=O)[C@@H]1O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C? | [
"aldehyde + silane",
"aldehyde + silicic acid derivative",
"acetonide + silicic acid derivative",
"aldehyde + silyl halide"
] | B | medium | standard |
CC(C)(C)[C@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)c1ccc(S(C)(=O)=O)cc1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)[C@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)c1ccc(S(C)(=O)=O)cc1? | [
"peroxyseleninic acid + phosphonic acid",
"nitrile + sulfone",
"phosphonic acid + phosphonic monoester",
"phosphonic acid + sulfone"
] | D | easy | standard |
CC(C)(C)[P+](C1C=CC([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)CC1)(C(C)(C)C)C(C)(C)C | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)[P+](C1C=CC([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)CC1)(C(C)(C)C)C(C)(C)C? | [
"aryl fluoride + phosphonium",
"fluoride + phosphonium",
"aryl fluoride + phosphine",
"aryl fluoride + phosphorylen"
] | A | medium | standard |
CC(C)(C)[S@@](=O)N[C@@H]1c2nc(Cl)sc2CC12CCN(c1cnc3c(I)[nH]nc3n1)CC2 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)[S@@](=O)N[C@@H]1c2nc(Cl)sc2CC12CCN(c1cnc3c(I)[nH]nc3n1)CC2? | [
"tertiary amine + thioenolether",
"sulfinic amide + tertiary amine",
"isothiocyanate + sulfinic amide",
"sulfinic amide + thiocyanate"
] | B | medium | standard |
CC(C)(C)c1nc2ccc(Cl)c(S(=O)(=O)N3CCN4CCOC[C@@H]4C3)c2o1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)c1nc2ccc(Cl)c(S(=O)(=O)N3CCN4CCOC[C@@H]4C3)c2o1? | [
"isocyanate + sulfonamide",
"sulfonamide + thiocyanate",
"sulfonamide + tertiary amine",
"carbothioic halide + tertiary amine"
] | C | medium | standard |
CC(C)(O)c1ccnc(-c2cccc3cc([C@H](NS(=O)(=O)C4CC4)c4nc(N)ncc4Cl)sc23)c1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(O)c1ccnc(-c2cccc3cc([C@H](NS(=O)(=O)C4CC4)c4nc(N)ncc4Cl)sc23)c1? | [
"carbothioic halide + primary amine",
"primary amine + sulfonamide",
"amide + primary amine",
"nitrosamide + sulfonamide"
] | B | medium | standard |
CC(C)CN1CCC(c2nc(-c3ccc4nc(N)n(S(=O)(=O)C(C)C)c4c3)c(-c3ccccc3)[nH]2)CC1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)CN1CCC(c2nc(-c3ccc4nc(N)n(S(=O)(=O)C(C)C)c4c3)c(-c3ccccc3)[nH]2)CC1? | [
"primary amine + urethane",
"primary amine + sulfonamide",
"nitrosamide + sulfonamide",
"carbothioic halide + primary amine"
] | B | medium | standard |
CC(C)(C)[Si](C#C[B-](C#C[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C#C[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C#C[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)[Si](C#C[B-](C#C[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C#C[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C#C[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C? | [
"quaternary boron + silane",
"borane + silane",
"quaternary boron + silicic acid derivative",
"quaternary boron + silyl halide"
] | A | hard | standard |
CC(C)(C)[Si](C)(C)OC1CN(C(=O)c2ccc(NC(=O)c3snc(-c4ccccc4)c3C3CC3)cc2Cl)C1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)[Si](C)(C)OC1CN(C(=O)c2ccc(NC(=O)c3snc(-c4ccccc4)c3C3CC3)cc2Cl)C1? | [
"amide + chloride",
"amide + aryl chloride",
"amide + chloroalkene",
"aryl chloride + lactam"
] | B | hard | standard |
CC(C)(C)n1sc(Cl)cc1=O | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)n1sc(Cl)cc1=O? | [
"aryl chloride + hydroxamic acid",
"amide + aryl chloride",
"chloride + lactam",
"aryl chloride + lactam"
] | D | hard | standard |
CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2[C@H](Br)C[C@@H](Cl)C(=O)N2C1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2[C@H](Br)C[C@@H](Cl)C(=O)N2C1? | [
"amidrazone + silyl ether",
"lactam + silanol",
"lactam + siloxane",
"lactam + silyl ether"
] | D | medium | standard |
CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP2(=S)OCCC(c3cccc(Cl)c3)O2)O[C@H]1n1cnc2c(N)ncnc21 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP2(=S)OCCC(c3cccc(Cl)c3)O2)O[C@H]1n1cnc2c(N)ncnc21? | [
"phosphoric acid derivative + tertiary amine",
"phosphoric acid derivative + secondary amine",
"phosphoric acid + primary amine",
"phosphoric acid derivative + primary amine"
] | D | hard | standard |
CC(C)(C)[Si](C)(C)O[C@@](C)(c1ccccc1)C(Cl)Cl | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)[Si](C)(C)O[C@@](C)(c1ccccc1)C(Cl)Cl? | [
"selenoxide + silyl ether",
"chloride + selenoxide",
"chloride + silyl ether",
"chloride + phosphinous ester"
] | C | easy | standard |
CC(C)(C)[Si](C)(C)O[C@@]12CCC[C@]1(O[Si](C)(C)C(C)(C)C)[C@H](OS(C)(=O)=O)C2 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)[Si](C)(C)O[C@@]12CCC[C@]1(O[Si](C)(C)C(C)(C)C)[C@H](OS(C)(=O)=O)C2? | [
"silyl ether + sulfonic ester",
"carboxylic acid + silyl ether",
"ortho ester + sulfonic ester",
"silyl ether + thioarene"
] | A | medium | standard |
CC(C)(C)[Si](C)(C)O[C@H](/C=C/I)C1CCCC1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)[Si](C)(C)O[C@H](/C=C/I)C1CCCC1? | [
"iodoalkene + silyl ether",
"iodoalkene + silanol",
"acyl iodide + silyl ether",
"iodoalkene + siloxane"
] | A | hard | standard |
CC(C)(C)[Si](C)(C)Oc1ccc(-c2n[nH]c(=S)o2)cc1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)[Si](C)(C)Oc1ccc(-c2n[nH]c(=S)o2)cc1? | [
"silyl ether + thiolactam",
"seleninic acid + silyl ether",
"phosphinic acid + silyl ether",
"phosphinous ester + thiolactam"
] | A | easy | standard |
CC(C)(C)[Si](C)([Si-](F)[Si](C)(C(C)(C)C)C(C)(C)C)C(C)(C)C | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)[Si](C)([Si-](F)[Si](C)(C(C)(C)C)C(C)(C)C)C(C)(C)C? | [
"fluoride + silane",
"selone + silane",
"fluoride + phosphine oxide",
"borane + fluoride"
] | A | easy | standard |
CC(C)(C)[Si]([Si](=C(F)F)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)[Si]([Si](=C(F)F)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C? | [
"fluoride + silane",
"borane + fluoride",
"selone + silane",
"fluoride + phosphine oxide"
] | A | easy | standard |
CC(C)(C)c1cc([N+]2=C=[N+](c3[c-]c(Oc4[c-]c5c(cc4)c4cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3cccc(-c4cccc(F)c4)c32)cc(C(C)(C)C)c1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)c1cc([N+]2=C=[N+](c3[c-]c(Oc4[c-]c5c(cc4)c4cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3cccc(-c4cccc(F)c4)c32)cc(C(C)(C)C)c1? | [
"diselenide + silane",
"aryl fluoride + borane",
"aryl fluoride + phosphine oxide",
"aryl fluoride + silane"
] | D | easy | standard |
CC(C)(C)[Si](C)([Si](Cl)[Si](Cl)[Si](C)(C(C)(C)C)C(C)(C)C)C(C)(C)C | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)[Si](C)([Si](Cl)[Si](Cl)[Si](C)(C(C)(C)C)C(C)(C)C)C(C)(C)C? | [
"silane + silyl halide",
"chloride + silane",
"chloride + phosphine oxide",
"borane + chloride"
] | B | easy | standard |
CC(C)(C)[Si](CS(=O)(=O)O)(C(C)(C)C)[Si](CS(=O)(=O)O)(C(C)(C)C)C(C)(C)C | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)[Si](CS(=O)(=O)O)(C(C)(C)C)[Si](CS(=O)(=O)O)(C(C)(C)C)C(C)(C)C? | [
"silane + sulfonic acid",
"selenoxide + silane",
"borane + sulfonic acid",
"phosphinic amide + silane"
] | A | easy | standard |
CC(C)(C)[Si](F)(CCO)C(C)(C)C | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)[Si](F)(CCO)C(C)(C)C? | [
"hydroxy + selenamide",
"hydroxy + selenenic acid",
"boronic ester + silyl halide",
"hydroxy + silyl halide"
] | D | easy | standard |
CC(C)CCCC(C)CCCC(C)CCCC(C)(O)CC[Si](Cl)(Cl)Cl | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)(O)CC[Si](Cl)(Cl)Cl? | [
"hydroxy + selenamide",
"hydroxy + silyl halide",
"boronic ester + silyl halide",
"hydroxy + selenenic acid"
] | B | easy | standard |
CC(C)(C)[Si](F)(c1ccc(CC(=O)NCc2ccccc2)cc1)C(C)(C)C | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)[Si](F)(c1ccc(CC(=O)NCc2ccccc2)cc1)C(C)(C)C? | [
"oxoarene + silyl halide",
"amide + silyl halide",
"amide + silane",
"amide + silicic acid derivative"
] | B | medium | standard |
CC(C)(C)[Si](OC[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OP(c2ccccc2)c2ccccc2)[C@@H]1OPP)(c1ccccc1)c1ccccc1 | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)[Si](OC[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OP(c2ccccc2)c2ccccc2)[C@@H]1OPP)(c1ccccc1)c1ccccc1? | [
"carbonic acid esterhalide + phosphinous ester",
"aryl ester + silyl ether",
"phosphinous ester + silyl ether",
"1,2-diol + phosphinous ester"
] | C | medium | standard |
CC(C)(C)[Si](O[P+](=O)O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)[Si](O[P+](=O)O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C? | [
"1,2-diol + phosphonous diester",
"phosphonous diester + silyl ether",
"phosphonium + silyl ether",
"carbonic acid esterhalide + phosphonous diester"
] | B | medium | standard |
CC(C)(C)[Si]([SiH]([SiH2]O[SiH2][SiH]([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)[Si]([SiH]([SiH2]O[SiH2][SiH]([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C? | [
"selenol + siloxane",
"siloxane + silyl hydride",
"boronic ester + silyl hydride",
"phosphonium + siloxane"
] | B | easy | standard |
CC(C)(C)[Si]([Si](Cl)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)[Si]([Si](Cl)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C? | [
"aryl chloride + silane",
"chloride + silyl halide",
"chloride + silane",
"chloride + silicic acid derivative"
] | C | medium | standard |
CC(C)(C)[Si]C(=C=S)[Si]C(C)(C)C | present_pair | Which pair of functional groups is present in the molecule with SMILES CC(C)(C)[Si]C(=C=S)[Si]C(C)(C)C? | [
"borane + sulfanylidene",
"phosphonium + silane",
"silane + sulfanylidene",
"selanyl halide + silane"
] | C | easy | standard |
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