Search is not available for this dataset
smiles stringlengths 12 61 | mz listlengths 16 322 | intensity listlengths 16 322 |
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CC1CC2(C1)CC(N)(C(=O)NCC1(O)CCC1)C2 | [
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CC1CCCC(Nc2ccc(N3CCCC3)cc2)C1 | [
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CCC1CCC(C(=O)O)(N2CC3CC2(C)C3)C1 | [
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CCC(=O)NCC(Cc1ccc2ccccc2c1)C(=O)O | [
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CN(CC(=O)CC1CCC1)C1CC2C3CCC(O3)C21 | [
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Cn1ccnc1NCc1ccc(F)c(C(F)(F)F)c1 | [
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C#CCC(N)C(=O)NC1CC2CCCC21 | [
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COC(=O)c1ccc(-c2ccc(OCF)cc2)cc1 | [
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CCC(C)(CN)C(=O)Nc1ccccc1[N+](=O)[O-] | [
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CC1CN(C(=O)CCn2cnnn2)C(C)CC1N | [
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CC(C)(N)C(C)(CC1CCOC1)OCC(=O)O | [
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