[bc9e98]: / data / ADMET / cooked / distribution_train.txt

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CN(C)C(=O)C=1/N=C(/CNC(=O)CN)N(N=1)C2=C/C=C(/[Cl])C=C2C(=O)C3=CC=C/C=C3/[Cl] 1
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[F]/C1=C/C=C(C=C1)C(=O)CCCN2CCN(CC2)C3=CC=CC=N3 1
C[C@@]4([H])C[C@@]3([H])[C@@]2([H])CC([F])([F])C1=CC(=O)C=C[C@@]1(C)[C@@]2([F])[C@@](O)([H])C[C@@]3(C)[C@@]4(O)C(=O)CO 1
CC[C@@]3([H])OC(=O)[C@@](C)([H])[C@@]([H])(O[C@@]1([H])C[C@@](C)(OC)[C@@](O)([H])[C@@](C)([H])O1)[C@@](C)([H])[C@@]([H])(O[C@@]2([H])O[C@@](C)([H])C[C@@]([H])(N(C)C)[C@@]2(O)[H])[C@@](C)(O)C[C@@](C)([H])CN(C)[C@@](C)([H])[C@@](O)([H])[C@@]3(C)O 0
CCO/C1=C/C(N)=C(/C=C1/C(=O)N[C@@]2([H])CCN(CC2)C[C@@]3([H])CCC=CC3)N(=O)=O 1
CCC[C@@]5([H])O[C@@]4([H])C[C@@]3([H])[C@@]2([H])CCC1=CC(=O)C=C[C@@]1(C)[C@@]2([H])[C@@](O)([H])C[C@@]3(C)[C@@]4(O5)C(=O)CO 1
CCNC1(CCCCC1)C2=CC=CC=C2 1
C[C@@]34C[C@@]([Cl])([H])[C@@]1([Cl])[C@@]([H])(CCC2=CC(=O)C=C[C@@]12C)[C@@]3([H])CC[C@@]4(O)C(=O)CO 1
C[C@@]([H])(C/C1=C/C=CC=C1)N(C)C/C2=C/C=CO2 1
[H][C@@]1(CN=C2NCCN12)C3=CC=CC=C3 1
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