diff options
Diffstat (limited to 'test/data/EPAFHM.medi.csv')
| -rw-r--r-- | test/data/EPAFHM.medi.csv | 4 |
1 files changed, 0 insertions, 4 deletions
diff --git a/test/data/EPAFHM.medi.csv b/test/data/EPAFHM.medi.csv index 975eaa1..4428fa2 100644 --- a/test/data/EPAFHM.medi.csv +++ b/test/data/EPAFHM.medi.csv @@ -26,10 +26,8 @@ "C1=CC=C2C(=C1)C(=O)C(C)=CC2=O",6.39E-04 "OC1=C(Cl)C(Cl)=C(Cl)C=C1Cl",4.44E-03 "OC1=CC(C)=C(Cl)C=C1",3.84E-02 -"[H]Cl.C1=CC=CC=C1CC2=NCCN2",1.80E+00 "O=S(O)(O)=O.C1(=CC=CC=C1CC(N)C).C2=CC=CC=C2CC(N)C",7.82E-02 "O(CC)CC",3.45E+01 -"O=C2N5[C@@]3([H])[C@@]1([H])[C@](C[C@]4([H])N(C7)CC[C@]34C6=C5C=CC=C6)([H])C7=CCO[C@]([H])1C2.O=C9N%12[C@@]%10([H])[C@@]8([H])[C@](C[C@]%11([H])N(C%14)CC[C@]%10%11C%13=C%12C=CC=C%13)([H])C%14=CCO[C@]([H])8C9.O=S(O)(O)=O",1.11E-03 "NC1=CC=CC=C1",1.13E+00 "O=C(OC1=C2C(=CC=C1)C=CC=C2)NC",4.35E-02 "CCO",3.19E+02 @@ -84,8 +82,6 @@ "ClC(Cl)C1=C(Cl)C=CC=C1Cl",4.22E-03 "C1=CC=C2C=CC=C3C2=C1CC3",1.12E-02 "CC1=CNC2=C1C=CC=C2",6.74E-02 -"O=C([C@](C(C=C4OC)=C(C=C4OC)OC3)([H])[C@]3([H])O2)C(C=C5)=C2C1=C5O[C@@H]([C@@](C)=C)C1",1.32E-05 -"O=C2C1=NC3=C(C=C(C)C(C)=C3)N(C[C@H](O)[C@H](O)[C@H](O)CO)C1=NC(N2)=O", "C1=CC=CC=C1OC(=O)C2=CC=CC=C2C(=O)OC3=CC=CC=C3",2.51E-04 "O=C1C2=C(C=CC=C2)C(=O)C3=C1C=CC=C3", "CCOC(=O)C1=CC=CC=C1C(=O)OCC",1.43E-01 |