id
int64 0
14.3M
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stringlengths 20
59.7k
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|---|---|
14,269,011
|
CID: 3741582
SMILES: O=C1NC(c2cc(Br)cc(Br)c2O)Nc2scc(-c3ccccc3)c21
IUPAC Name: 2-(3,5-dibromo-2-hydroxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
|
14,269,012
|
CID: 3741582
SMILES: O=C1NC(c2cc(Br)cc(Br)c2O)Nc2scc(-c3ccccc3)c21
Molecular Weight: 480.2
|
14,269,013
|
CID: 3741582
SMILES: O=C1NC(c2cc(Br)cc(Br)c2O)Nc2scc(-c3ccccc3)c21
Molecular Formula: C18H12Br2N2O2S
|
14,269,014
|
CID: 3741583
SMILES: Fc1ccccc1C1C=C(c2ccc(-c3ccccc3)cc2)Nc2nnnn21
IUPAC Name: 7-(2-fluorophenyl)-5-(4-phenylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
|
14,269,015
|
CID: 3741583
SMILES: Fc1ccccc1C1C=C(c2ccc(-c3ccccc3)cc2)Nc2nnnn21
Molecular Weight: 369.4
|
14,269,016
|
CID: 3741583
SMILES: Fc1ccccc1C1C=C(c2ccc(-c3ccccc3)cc2)Nc2nnnn21
Molecular Formula: C22H16FN5
|
14,269,017
|
CID: 3741584
SMILES: COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1OC
IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]-5-[(N-methylanilino)methyl]triazole-4-carboxamide
|
14,269,018
|
CID: 3741584
SMILES: COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1OC
Molecular Weight: 477.5
|
14,269,019
|
CID: 3741584
SMILES: COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1OC
Molecular Formula: C22H23N9O4
|
14,269,020
|
CID: 3741585
SMILES: CCNC(=O)c1ccccc1-c1nc(-c2cccc(C)c2)no1
IUPAC Name: N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
|
14,269,021
|
CID: 3741585
SMILES: CCNC(=O)c1ccccc1-c1nc(-c2cccc(C)c2)no1
Molecular Weight: 307.3
|
14,269,022
|
CID: 3741585
SMILES: CCNC(=O)c1ccccc1-c1nc(-c2cccc(C)c2)no1
Molecular Formula: C18H17N3O2
|
14,269,023
|
CID: 3741586
SMILES: CCOC(=O)C(Sc1c(Cc2ccccc2)c(C)nc2c(-c3ccccc3)c(C)nn12)C(C)=O
IUPAC Name: ethyl 2-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-oxobutanoate
|
14,269,024
|
CID: 3741586
SMILES: CCOC(=O)C(Sc1c(Cc2ccccc2)c(C)nc2c(-c3ccccc3)c(C)nn12)C(C)=O
Molecular Weight: 473.6
|
14,269,025
|
CID: 3741586
SMILES: CCOC(=O)C(Sc1c(Cc2ccccc2)c(C)nc2c(-c3ccccc3)c(C)nn12)C(C)=O
Molecular Formula: C27H27N3O3S
|
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