removed some difficult targets

data-raw/suspects-neg.csv

@@ -1,6 +1,5 @@
 name,mz,rt,SMILES
 Gemfibrozil,249.1496,376.8,Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O)C
-1-Hydroxyibuprofen,221.1183,324,CC(C)C(c1ccc(cc1)C(C)C(=O)O)O
 "2,4,5-Trichlorophenoxyacetic acid",252.9232,346.8,c1c(c(cc(c1Cl)Cl)Cl)OCC(=O)O
 "2,4-DB",246.9934,364.2,c1cc(c(cc1Cl)Cl)OCCCC(=O)O
 "2,4-DP",232.9778,343.8,CC(C(=O)O)Oc1ccc(cc1Cl)Cl
@@ -9,7 +8,6 @@ Gemfibrozil,249.1496,376.8,Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O)C
 "4,6-Dinitro-o-cresol",197.0204,370.2,Cc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]
 Acesulfame,161.9867,168.6,CC1=CC(=O)NS(=O)(=O)O1
 Barbital,183.0775,264,CCC1(C(=O)NC(=O)NC1=O)CC
-Bentazon,239.0496,313.2,CC(C)N1C(=O)c2ccccc2NS1(=O)=O
 Bromacil,259.0088,324,CCC(C)n1c(=O)c(c(nc1O)C)Br
 Bromoxynil,273.8509,339,c1c(cc(c(c1Br)O)Br)C#N
 Clofibric acid,213.0324,346.2,CC(C)(C(=O)O)Oc1ccc(cc1)Cl
@@ -33,4 +31,3 @@ Pentachlorophenol,262.8397,379.8,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O
 Propanil,215.9988,340.8,CCC(=O)NC1=CC(=C(C=C1)Cl)Cl
 Saccharin,181.9917,219,C1=CC=C2C(=C1)C(=O)NS2(=O)=O
 Terbacil,215.0593,325.8,CC1=C(C(=O)N(C(=O)N1)C(C)(C)C)Cl
-Triclosan,286.9439,381.6,C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl

data-raw/suspects-pos.csv

@@ -33,11 +33,8 @@ Dimefuron,339.1218,352.8,CC(C)(C)c1nn(c(=O)o1)c2ccc(cc2Cl)NC(=O)N(C)C
 Dimethanamid-p,276.082,373.2,CC1=CSC(=C1N(C(C)COC)C(=O)CCl)C
 Diuron,233.0243,336.6,CN(C)C(O)=NC1C=C(Cl)C(Cl)=CC=1
 Ethidimuron,265.0424,300,CCS(=O)(=O)c1nnc(s1)N(C)C(=O)NC
-Ethofumesate,287.0948,366.6,CCOC1C(c2cc(ccc2O1)OS(=O)(=O)C)(C)C
-Fenuron,165.1022,290.4,CN(C)C(=O)NC1=CC=CC=C1
 Flufenacet,364.0737,372,CC(C)N(c1ccc(cc1)F)C(=O)COc2nnc(s2)C(F)(F)F
 Fluometuron,233.0896,321.6,CN(C)C(=O)Nc1cccc(c1)C(F)(F)F
-Fosalon,367.9941,402,CCOP(=S)(OCC)SCn1c2ccc(cc2oc1=O)Cl
 Heptenophos,251.0234,352.8,COP(=O)(OC)OC1=C(C2C1CC=C2)Cl
 Hexazinone,253.1659,352.8,Cn1c(nc(=O)n(c1=O)C2CCCCC2)N(C)C
 Isoproturon,207.1492,340.8,CC(C)c1ccc(cc1)NC(=O)N(C)C
@@ -59,7 +56,6 @@ N-Phenyl urea,137.0709,249,C1=CC=C(C=C1)NC(=O)N
 Naproxen,231.1016,361.2,CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O
 Phenmedipham,301.1183,349.8,CC1=CC(=CC=C1)NC(=O)OC2=CC=CC(=C2)NC(=O)OC
 Prometon,226.1662,350.4,CC(C)NC1=NC(=NC(=N1)OC)NC(C)C
-Prosulfocarb,252.1417,392.4,CCCN(CCC)C(=O)SCC1=CC=CC=C1
 Pyridafol,207.032,313.2,C1=CC=C(C=C1)C2=NNC(=CC2=O)Cl
 Siduron,233.1648,348.6,CC1CCCCC1NC(=O)NC2=CC=CC=C2
 Simetryne,214.1121,344.4,CCNC1=NC(=NC(=N1)SC)NCC