Search is not available for this dataset
smiles stringlengths 12 61 | mz listlengths 16 322 | intensity listlengths 16 322 |
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CC(C)C1(C)CC1C(=O)OCc1ccccc1Cl | [
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CCCc1nc(C(N)C2CCCC(CC)C2)cs1 | [
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NC1CN(CC(=O)OCC23CCC(CC2)OC3)C1 | [
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C=C(C)CC(NCCC)c1c(F)cccc1Cl | [
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Cc1ccc2oc(=NCC3CCc4ccccc4N3)[nH]c2c1 | [
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O=C(c1cnsc1)C1(O)CCCNCC1 | [
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CNC1CCOCC1OCc1ccc2c(c1)CCO2 | [
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Cc1cc(N)c(NCC2CCCCO2)cc1C | [
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N#CCC(=O)N1CCN(C2CC3CCC2C3)CC1 | [
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Cc1sccc1C(O)C(C)(C)CN(C)C | [
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Cc1cnccc1CCNCC1CC1C1CCOCC1 | [
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CC(C)(CC(=O)C12CCC1C2)CS(C)(=O)=O | [
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0.64... |
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