diff options
Diffstat (limited to 'cv/data/csv/MOU.csv')
| -rw-r--r-- | cv/data/csv/MOU.csv | 403 |
1 files changed, 403 insertions, 0 deletions
diff --git a/cv/data/csv/MOU.csv b/cv/data/csv/MOU.csv new file mode 100644 index 0000000..fff9698 --- /dev/null +++ b/cv/data/csv/MOU.csv @@ -0,0 +1,403 @@ +SMILES,pTD50 +ClC1=C(Cl)C=C2C(=C1)OC1=C(O2)C=C(Cl)C(=C1)Cl,9.31469053946421 +O=C1C=C2C3(O)C(C)(C(C(C)C(O)CCC(O)(C)C)CC3)CCC2C2(C)CC(O)C(O)CC12,7.11322861415348 +OC1=CC=C(C(=C(C2=CC=C(O)C=C2)CC)CC)C=C1,6.83652516590471 +O=C1N(C=NC(N)=N1)C1OC(CO)C(O)C1O,6.49901323534295 +CC1=C2C(=C(C)C3=C1C=CC=C3)C1=C(C=C2)C=CC=C1,6.48453878812744 +OC(=O)C(N)CC1=CC=C(N(CCCl)CCCl)C=C1,6.30849284333198 +OC1(C#C)C2(C)C(C3C(C4=C(CC(=O)CC4)CC3)CC2)CC1,6.0292227040406 +O=C(OC1CC2=CCC3C(C2(C)CC1)CCC1(C)C3CCC1C(C)CCCC(C)C)CC1=CC=C(N(CCCl)CCCl)C=C1,6.01984202661224 +CN(N=O)C(=O)NC(C=O)C(O)C(O)C(O)CO,5.98903851292683 +S=P(N1CC1)(N1CC1)N1CC1,5.92866102750604 +O=C(N)OC=C,5.84648346877404 +ClCOCCl,5.80046781149983 +CC12CCC3C(C1CCC2OC(=O)CC1=CC=C(N(CCCl)CCCl)C=C1)CCC1=C3C=CC(=C1)OC(=O)CC1=CC=C(N(CCCl)CCCl)C=C1,5.73552638276279 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