Identifier,InChI,MonoisotopicMass,MolecularFormula,InChIKey1,InChIKey2,SMILES,Name
1H-benzotriazole,"InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)",119.0483472,C6H5N3,QRUDEWIWKLJBPS,UHFFFAOYSA,c1ccc2c(c1)[nH]nn2,1H-benzotriazole
"5H-Pyrrolo_2,3-b_pyrazine","InChI=1S/C6H5N3/c1-2-8-6-5(1)7-3-4-9-6/h1-4H,(H,8,9)",119.048347,C6H5N3,HFTVJMFWJUFBNO,UHFFFAOYSA,C1=CNC2=NC=CN=C21,"5H-Pyrrolo_2,3-b_pyrazine"
Chloridazon,"InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2",221.0355896,C10H8ClN3O,WYKYKTKDBLFHCY,UHFFFAOYSA,c1ccc(cc1)n2c(=O)c(c(cn2)N)Cl,Chloridazon
CHEMBL301856,"InChI=1S/C10H8ClN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)",221.0355896,C10H8ClN3O,VOSRRSSOXKZTFS,UHFFFAOYSA,C1=CC=C(C=C1)C2=C(C(=O)NC(=N2)N)Cl,CHEMBL301856
CHEMBL4072496,"InChI=1S/C10H8ClN3O/c11-8-7(5-14-9(8)10(12)15)6-1-3-13-4-2-6/h1-5,14H,(H2,12,15)",221.0355896,C10H8ClN3O,PGLBZRZEQTVNDN,UHFFFAOYSA,C1=CN=CC=C1C2=CNC(=C2Cl)C(=O)N,CHEMBL4072496
DEET,"InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3",191.131014,C12H17NO,MMOXZBCLCQITDF,UHFFFAOYSA,CCN(CC)C(=O)C1=CC=CC(=C1)C,DEET
Phendimetrazine,"InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m0/s1",191.131014,C12H17NO,MFOCDFTXLCYLKU,CMPLNLGQSA,CC1C(OCCN1C)C2=CC=CC=C2,Phendimetrazine
Diuron,"InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)",232.0170183,C9H10Cl2N2O,XMTQQYYKAHVGBJ,UHFFFAOYSA,CN(C)C(O)=NC1C=C(Cl)C(Cl)=CC=1,Diuron
"3-2_4-Dichlorophenyl-1,1-dimethylurea","InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-8-4-3-6(10)5-7(8)11/h3-5H,1-2H3,(H,12,14)",232.017018,C9H10Cl2N2O,UZOKKCRCTNFCDX,UHFFFAOYSA,CN(C)C(=O)Nc1ccc(cc1Cl)Cl,"3-2_4-Dichlorophenyl-1,1-dimethylurea"
1-2-Chloroethyl-3-2-chlorophenyl-urea,"InChI=1S/C9H10Cl2N2O/c10-5-6-12-9(14)13-8-4-2-1-3-7(8)11/h1-4H,5-6H2,(H2,12,13,14)",232.017018,C9H10Cl2N2O,XTAPRYJFVHZPNT,UHFFFAOYSA,c1ccc(c(c1)NC(=O)NCCCl)Cl,1-2-Chloroethyl-3-2-chlorophenyl-urea
3-3_5-Dichlorophenyl-1_1-dimethylurea,"InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-8-4-6(10)3-7(11)5-8/h3-5H,1-2H3,(H,12,14)",232.017018,C9H10Cl2N2O,NAOCHJCREOAPOF,UHFFFAOYSA,CN(C)C(=O)Nc1cc(cc(c1)Cl)Cl,3-3_5-Dichlorophenyl-1_1-dimethylurea
Fluometuron,"InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)",232.0823476,C10H11F3N2O,RZILCCPWPBTYDO,UHFFFAOYSA,CN(C)C(=O)Nc1cccc(c1)C(F)(F)F,Fluometuron
Parafluron,"InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-7(4-6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)",232.0823476,C10H11F3N2O,CDHBAZHPEVDWMO,UHFFFAOYSA,CN(C)C(=O)NC1=CC=C(C=C1)C(F)(F)F,Parafluron
Linuron,"InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)",248.0119329,C9H10Cl2N2O2,XKJMBINCVNINCA,UHFFFAOYSA,CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC,Linuron
CHEMBL4172924,"InChI=1S/C9H10Cl2N2O2/c10-6-1-2-8(7(11)5-6)12-4-3-9(14)13-15/h1-2,5,12,15H,3-4H2,(H,13,14)",248.0119329,C9H10Cl2N2O2,MMPFUJBCLCJWAT,UHFFFAOYSA,C1=CC(=C(C=C1Cl)Cl)NCCC(=O)NO,CHEMBL4172924
Pyridafol,"InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)",206.0246905,C10H7ClN2O,ZUSHSDOEVHPTCU,UHFFFAOYSA,C1=CC=C(C=C1)C2=NNC(=CC2=O)Cl,Pyridafol
5-Chloro-6-phenylpyridazin-3-ol,"InChI=1S/C10H7ClN2O/c11-8-6-9(14)12-13-10(8)7-4-2-1-3-5-7/h1-6H,(H,12,14)",206.0246905,C10H7ClN2O,ZIBQCQDAFOPHBJ,UHFFFAOYSA,C1=CC=C(C=C1)C2=NNC(=O)C=C2Cl,5-Chloro-6-phenylpyridazin-3-ol
Siduron,"InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17)",232.1575633,C14H20N2O,JXVIIQLNUPXOII,UHFFFAOYSA,CC1CCCCC1NC(=O)NC2=CC=CC=C2,Siduron
Norfentanyl,"InChI=1S/C14H20N2O/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h3-7,13,15H,2,8-11H2,1H3",232.1575633,C14H20N2O,PMCBDBWCQQBSRJ,UHFFFAOYSA,CCC(=O)N(C1CCNCC1)C2=CC=CC=C2,Norfentanyl
Venlafaxine,"InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3",277.204179,C17H27NO2,PNVNVHUZROJLTJ,UHFFFAOYSA,CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O,Venlafaxine
Padimate O,"InChI=1S/C17H27NO2/c1-5-7-8-14(6-2)13-20-17(19)15-9-11-16(12-10-15)18(3)4/h9-12,14H,5-8,13H2,1-4H3",277.204179,C17H27NO2,WYWZRNAHINYAEF,UHFFFAOYSA,CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C,Padimate O