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)c1ccc(N)c(C(=O)OC2CCC2(C)C)c1 | [
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COCCOc1ccccc1C(=O)C1CCCC1(F)F | [
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CCOc1nc(C(O)c2ccnn2C)co1 | [
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CCC(O)(C(=O)CC1CCC1)C(C)CN(C)C | [
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Cc1ncccc1C=CC(=O)NCC(O)c1ccco1 | [
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Cc1nc(N2CCC(C=O)C2)ccc1C#N | [
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CCCn1cc[nH]c(=NCC2CC=C(C)CC2)c1=O | [
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Cc1ccc(C(O)C(=O)c2c(C)nnn2C)nc1 | [
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CC=CCCCN1CCCC(OCC(C)C)C1 | [
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Cc1nnc(C(O)C(O)c2ccccc2)s1 | [
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CC(C)C(C)C(C)NCC1CC2CC1C(O)C2O | [
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CCCN(c1ccnc2ncccc12)C1CCNC1 | [
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CC1(CO)C=CCN1CC1(C(=N)N)CCC1 | [
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CCC1(CC(O)C2CC(C(C)C)C2)CCC1 | [
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CC(NC(C)(C(=O)O)C(C)C)c1ccccc1Cl | [
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83,
84,
85,
86,
87,
88,
89,
90,
91,
99,
100,
101,
102,
103,
... | [
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0.25,
0.47,
0.24,
0.03,
0.11,
0.19,
0.1,
0.... |
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