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test_II.csv
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test_II.csv
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CC1=CC(=C(C=C1)C(C)(C)C)O;1682
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CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl;4
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C1CCN[C@@H](C1)[C@H](C2=CC=CC=C2)NC(=O)C3=C(C(=CC=C3)C(F)(F)F)Cl;1855
CN1CN(C(=S)SC1)C;1381
C=CCCCCCCCCC(=O)O;25
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C[N+]1(CCCCC1)C.[Cl-];8
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CC(COC1=CC=CC=C1)O;1855
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CCC(C)(C)C(=O)OC1=C(C(=O)OC12CCCCC2)C3=C(C=C(C=C3)Cl)Cl;1618
C[Si]1(O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)C;1380
CC(C)CCCCCOC(=O)CS;2
CC(C)(CCC1=CC=CC=C1)O;2452
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CC1(C2CCC(O1)(CC2)C)C;2451
CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3.COS(=O)(=O)[O-];29
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CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC;35
C1=CC=C(C=C1)C(=O)OCCCCCOC(=O)C2=CC=CC=C2;1797
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CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2;1648
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COC1=CC(=NC(=N1)SC2=C(C(=CC=C2)Cl)C(=O)[O-])OC.[Na+];37
C1=CC=C(C=C1)C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)C#N;1372
CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl;2444
CCN(CC1=C(C=CC=C1Cl)F)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-];1613
C1=CC(=CC(=C1)Cl)Cl;32
CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3;1643
CN1C2=C(C(=O)N(C1=O)C)NC=N2;1681
CC(C)(C)[C@H]([C@@H](CC1=CC=C(C=C1)Cl)N2C=NC=N2)O;29
C1CCC2=CC=CC=C2C1;36
CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C;1387
C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3;25
C1=CC=C2C(=C1)C=CC(=O)O2;1373
C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N;2451
COC1=C(C=CC(=C1)C=O)O;28
CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-];1616
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O;30
C([C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O)O;1856
CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C;38
CC(=O)NC1(CCN(CC1)CC[C@]2(CN(C(=O)CO2)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC(=CC=C5)F.C(CC(=O)O)C(=O)O;2453
COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O;1509
C1=CC(=CC=C1Br)Br;2452
C1=CC(=CC(=C1)O)O;1857
CCCN([C@@H]1CCC2=C(C1)C=C(C=C2)OC)C3CCN(CC3)C(=O)C4CCNCC4;1378
[C@@H]([C@H](C(=O)O)O)(C(=O)O)O;1856
CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C;34
C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O;1377
CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl;2452
CC1=C(C(=O)N(C(=O)N1)C(C)(C)C)Cl;32
CC(C)CCOC(=O)C;29
CC(C)NC(=O)N1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl;1658
CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl;1627
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CC1=CC(=O)CC(C1)(C)C;27
CSC(=O)C1=C2C(=CC=C1)N=NS2;25
CN(C)NC(=O)CCC(=O)O;2452
CN(C[C@@H](CC[N+]12CCC(CC1)(CC2)C3CCCCC3)C4=CC(=C(C=C4)Cl)Cl)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F.CS(=O)(=O)[O-];2451
CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl;1380
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CCN(CC)C(=O)C1=CC(=C(C=C1N(CC)CCN(C)C)N2CCC(CC2)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4.C(=O)(C(F)(F)F)O;1386
C1=CC=C(C(=C1)[N+](=O)[O-])O;1852
C1CCC(CC1)C(=O)C2=CC=CC=C2;1856
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