Search is not available for this dataset
smiles stringlengths 12 61 | mz listlengths 16 322 | intensity listlengths 16 322 |
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Cc1nnc2c(=NCC3(C)CC=CCO3)[nH]ccn12 | [
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CC(C)C(N)C(C)(C)C(=O)c1ccc2c(c1)CCC2 | [
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FC1COCC1NCc1cn2ccccc2n1 | [
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Cc1cccnc1CN1CC2OCC(C(=O)O)C2C1 | [
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C(NCC12COCC(C1)C2)C1CC2CSCC(C1)C2 | [
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O=C(O)COC1(c2ccccc2O)CCC2CNCC21 | [
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CCCCc1nccn1CC(F)C1CCOC1 | [
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CC1CCCCCC1N(C)C(=O)CC1CC1CN | [
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CC1(c2ccccc2)CCCN1C(=O)C12CCCC1NCC2 | [
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CC(C)Cc1ccc(C(=O)C2C3CCNCC32)cc1 | [
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C=CCn1nnnc1N(CCC#N)CC1CC1 | [
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