Search is not available for this dataset
smiles stringlengths 12 61 | mz listlengths 16 322 | intensity listlengths 16 322 |
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CCN1CCC1C(=O)NC(C)c1cc2ccccc2o1 | [
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CCCCCn1ccc(C(N)C(SC)C2CC2)n1 | [
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CCC1(CO)CCCN(C2CC(OC(C)C)C2)C1 | [
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C#CCC(CC)NCC1CCC(C(F)(F)F)O1 | [
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COCC(C)CC(=O)Nc1ccc(CCC(C)C)cc1 | [
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CCC(C)C(N)c1nnc(CC(=O)O)o1 | [
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Cc1cc(C(=N)N)nc(N2C(CO)CC3CCCC32)c1 | [
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CC(C)CCC(C)CC(=O)COCc1ccccc1 | [
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O=C(CCC1CCCCN1)N1CCC1CO | [
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CC1(CO)CCCN(C(=O)C23CCC(CC2)N3)C1 | [
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Cc1ncc(C(O)C(CN)c2ccncc2)s1 | [
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Cc1ccnc(CNC(=O)NCC(C)(O)C2CC2)c1 | [
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CC1CC(C(=O)O)(N2CC(OCCO)C2)C(C)O1 | [
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CCCNC(CN1CCNC(=O)CC1)C1CC1(C)C | [
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CC(C)(C)c1nnc(CC2CCC3OC23)s1 | [
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0.0... |
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