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RInChI Example. RInChI=1.00.1S/C10H13Cl3N2O2/c1-10(2,3)5(16)4-17-6-7(11)14-9(13)15-8(6)12/h5,16H,4H2,1-3H3<>C4HCl3N2O/c5-2-1(10)3(6)9-4(7)8-2/h10H!C6H12O/c1-6(2,3)5-4-7-5/h5H,4H2,1-3H3/d-. RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17

RInChI Example. RInChI=1.00.1S/C14H20N2O2/c1-14(2,3)18-13(17)16-9-11(10-16)8-12-6-4-5-7-15-12/h4-7,11H,8-10H2,1-3H3<>C16H22N2O4S2/c1-15(2,3)21-13(19)18-9-11(10-18)16(24-4,22-14(20)23)12-7-5-6-8-17-12/h5-8,11H,9-10H2,1-4H3,(H,20,23)<>C7H8/c1-7-5-3-2-4

RInChI Example. RInChI=1.00.1S/Al.3ClH/h;31H/q3;;;/p-3!C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7)!C6H6/c1-2-4-6-5-3-1/h1-6H<>C11H12O/c1-11(2)7-10(12)8-5-3-4-6-9(8)11/h3-6H,7H2,1-2H3/d+. RAuxInfo=1.00.1/1/N:1;2;3;4/rA:4Al3Cl-Cl-Cl-/rB:;;;/rC:;;;;!1/N:1,2

RInChI Example. RInChI=1.00.1S/C11H8ClN3O2/c1-2-17-11(16)7-3-9-10(12)8(4-13)5-14-15(9)6-7/h3,5-6H,2H2,1H3<>C11H9N3O3/c1-2-17-11(16)7-3-9-10(15)8(4-12)5-13-14(9)6-7/h3,5-6,15H,2H2,1H3!Cl3OP/c1-5(2,3)4/d-. RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12

RInChI Example. RInChI=1.00.1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3!C5H4BrClN2O/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3<>C8H12BrN3O2/c1-12(3-4-13)8-10-5-6(9)7(11-8)14-2/h5,13H,3-4H2,1-2H3<>C4H8O/c1-2-4-5-3-1/h1-4H2/d+. RAuxInfo=1.00.1/0/N:1,2,3,4,5/rA:5CCCNO/rB

RInChI Example. RInChI=1.00.1S/C13H16FNO3/c1-13(14)9-17-8-11(13)15-12(16)18-7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,16)!ClH/h1H<>C5H10FNO.ClH/c1-5(6)3-8-2-4(5)7;/h4H,2-3,7H2,1H3;1H<>CH4O/c1-2/h2H,1H3!Pd/d+. RAuxInfo=1.00.1/1/N:1,2,3,4,5,6,7,8,9,10

RInChI Example. RInChI=1.00.1S/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3!C7H9NO/c1-7(5-8)4-2-3-6(7)9/h2-4H2,1H3!CH3BN.Na/c2-1-3;/h2H3;/q-1;1<>C7H12N2/c1-7(5-8)4-2-3-6(7)9/h6H,2-4,9H2,1H3<>CH4O/c1-2/h2H,1H3/d+.

RInChI Example. RInChI=1.00.1S/C9H15NO3/c1-9(2,3)13-8(11)10-4-6-7(5-10)12-6/h6-7H,4-5H2,1-3H3!CH4O/c1-2/h2H,1H3!ClH.H3N/h1H;1H3!N3.Na/c1-3-2;/q-1;1<>C9H16N4O3/c1-9(2,3)16-8(15)13-4-6(11-12-10)7(14)5-13/h6-7,14H,4-5H2,1-3H3<>H2O/h1H2/d+. RAuxInfo=1.00

RInChI Example. RInChI=1.00.1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3!C4H4O2/c1-3-4(5)6-2/h1H,2H3!ClH.Na/h1H;/q;1/p-1!H2O/h1H2<>C7H11NO/c1-3-5-6-8-7(9)4-2/h2H,3,5-6H2,1H3,(H,8,9)<>C2H4O2/c1-2(3)4/h1H3,(H,3,4)/d+.

RInChI Example. RInChI=1.00.1S/C13H15NO2/c1-11-7-8-14(9-11)13(15)16-10-12-5-3-2-4-6-12/h2-7H,8-10H2,1H3<>C15H19NO2/c1-4-10-16(11-13(2)3)15(17)18-12-14-8-6-5-7-9-14/h4-9H,1-2,10-12H2,3H3<>CH2Cl2/c2-1-3/h1H2/d-. RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10

RInChI Example. RInChI=1.00.1S/C14H20FNO/c1-13(17)9-8-12(14(13,2)15)16-10-11-6-4-3-5-7-11/h3-7,12,16-17H,8-10H2,1-2H3!ClH/h1H<>C7H14FNO/c1-6(10)4-3-5(9)7(6,2)8/h5,10H,3-4,9H2,1-2H3<>CH4O/c1-2/h2H,1H3!Pd/d+. RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11

RInChI Example. RInChI=1.00.1S/C15H21NO3/c1-15(2)12(8-9-13(15)17)16-14(18)19-10-11-6-4-3-5-7-11/h3-7,12-13,17H,8-10H2,1-2H3,(H,16,18)<>C7H15NO/c1-7(2)5(8)3-4-6(7)9/h5-6,9H,3-4,8H2,1-2H3<>CH4O/c1-2/h2H,1H3!Pd/d+.

RInChI Example. RInChI=1.00.1S/<>C4H8O/c1-2-4-5-3-1/h1-4H2!C5H7NO2/c1-3-8-5(7)4-6-2/h3-4H2,1H3!C9H7ClFNO2/c1-6(12(13)14)4-7-2-3-8(10)5-9(7)11/h2-5H,1H3<>C3H8O/c1-3(2)4/h3-4H,1-2H3/d-.

RInChI Example. RInChI=1.00.1S/<>C5H7NO2/c1-3-8-5(7)4-6-2/h3-4H2,1H3!C9H8ClNO2/c1-7(11(12)13)6-8-2-4-9(10)5-3-8/h2-6H,1H3<>C3H8O/c1-3(2)4/h3-4H,1-2H3!C4H8O/c1-2-4-5-3-1/h1-4H2/d-.

RInChI Example. RInChI=1.00.1S/C10H6F4N2O/c1-5(17)16-9-3-7(10(12,13)14)6(4-15)2-8(9)11/h2-3H,1H3,(H,16,17)!ClH/h1H<>C8H4F4N2/c9-6-1-4(3-13)5(2-7(6)14)8(10,11)12/h1-2H,14H2<>C2H6O/c1-2-3/h3H,2H2,1H3/d+.

RInChI Example. RInChI=1.00.1S/C16H23NO3/c1-15(2)13(9-10-16(15,3)19)17-14(18)20-11-12-7-5-4-6-8-12/h4-8,13,19H,9-11H2,1-3H3,(H,17,18)<>C8H17NO/c1-7(2)6(9)4-5-8(7,3)10/h6,10H,4-5,9H2,1-3H3<>CH4O/c1-2/h2H,1H3!Pd/d+.

RInChI Example. RInChI=1.00.1S/C9H4ClF3N2O2/c10-8-4-5(15(16)17)3-7(9(11,12)13)6(8)1-2-14/h3-4H,1H2!ClH.H3N/h1H;1H3<>C9H6ClF3N2/c10-8-4-5(15)3-7(9(11,12)13)6(8)1-2-14/h3-4H,1,15H2<>Fe/d+. RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17/E

RInChI Example. RInChI=1.00.1S/<>C6H5BF2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H!CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;21/p-2<>2ClH.Pd/h21H;/q;;2/p-2!C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3!H2O/h1H2/d-.

RInChI Example. RInChI=1.00.1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3!C5H6O2/c1-3-5(6)7-4-2/h1H,4H2,2H3!ClH.Na/h1H;/q;1/p-1!H2O/h1H2<>C7H11NO/c1-3-5-6-8-7(9)4-2/h2H,3,5-6H2,1H3,(H,8,9)<>C2H4O2/c1-2(3)4/h1H3,(H,3,4)/d+.

RInChI Example. RInChI=1.00.1S/C11H11ClFN3.ClH/c1-16-6-8(5-15-16)11(14)7-2-3-9(12)10(13)4-7;/h2-6,11H,14H2,1H3;1H<>C15H19ClFN3OS/c1-15(2,3)22(21)19-14(11-8-18-20(4)9-11)10-5-6-12(16)13(17)7-10/h5-9,14,19H,1-4H3!CH4O.ClH/c1-2;/h2H,1H3;1H/d-.

RInChI Example. RInChI=1.00.1S/<>C6H5BF2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,10-11H!CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;21/p-2<>2ClH.Pd/h21H;/q;;2/p-2!C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3!H2O/h1H2/d-.

RInChI Example. RInChI=1.00.1S/<>C11H10N2O2/c12-13-11(14)10-7-6-9(15-10)8-4-2-1-3-5-8/h1-7H,12H2,(H,13,14)!C2H6N2.ClH/c1-2(3)4;/h1H3,(H3,3,4);1H!H2O/h1H2!Na.H2O/h;1H2/q1;/p-1<>C4H8O/c1-2-4-5-3-1/h1-4H2/d-.

RInChI Example. RInChI=1.00.1S/C10H14BNO5/c1-17-9-6-7(10(14)12-4-5-13)2-3-8(9)11(15)16/h2-3,6,13,15-16H,4-5H2,1H3,(H,12,14)<>C2H7NO/c3-1-2-4/h4H,1-3H2!C8H9BO5/c1-14-7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4,12-13H,1H3,(H,10,11)/d-. RAuxInfo=1.00.1/1/N:1,2,3

RInChI Example. RInChI=1.00.1S/C6H5BrClN/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2!C7H6N4S/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H<>C7H3BrClNS/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H<>CH2Cl2/c2-1-3/h1H2/d+.

RInChI Example. RInChI=1.00.1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)!C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)<>C4H6O5.C3H6O3/c5-2(4(8)9)1-3(6)7;1-2(4)3(5)6/h2,5H,1H2,(H,6,7)(H,8,9);2,4H,1H3,(H,5,6)/d+. RAuxInfo=1.00.1/1/N:1,2,3,4,5,6/E:(5,6

RInChI Example. RInChI=1.00.1S/C10H11BrO3/c1-13-9-4-3-7(5-8(9)11)6-10(12)14-2/h3-5H,6H2,1-2H3<>C9H9BrO3/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)!CH4O/c1-2/h2H,1H3!H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/d-.

RInChI Example. RInChI=1.00.1S/C10H17NO4/c1-10(2,3)15-9(14)11-7-4-6(5-7)8(12)13/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)<>C10H19NO3/c1-10(2,3)14-9(13)11-8-4-7(5-8)6-12/h7-8,12H,4-6H2,1-3H3,(H,11,13)<>C4H8O/c1-2-4-5-3-1/h1-4H2/d+.

RInChI Example. RInChI=1.00.1S/C2H6O/c1-2-3/h3H,2H2,1H3!C5H8O5/c1-9-3-10-5(8)2-4(6)7/h2-3H2,1H3,(H,6,7)/p-1!CH4N2O/c2-1(3)4/h(H4,2,3,4)<>C5H6N2O4/c1-11-2-3(8)6-5(10)7-4(2)9/h1H3,(H3,6,7,8,9,10)<>Na/d+. RAuxInfo=1.00.1/0/N:1,2,3/rA:3CCO/rB:s1;s2;/rC:;

RInChI Example.

RInChI Example.

RInChI Example. RInChI=1.00.1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2!C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)<>C5H9NO2.C3H8O3.H2O/c7-5(8)4-2-1-3-6-4;4-1-3(6)2-5;/h4,6H,1-3H2,(H,7,8);3-6H,1-2H2;1H2<>H2O/h1H2/d+. RAuxInfo=1.00.1/0/N:1,2,3,4,5,6/E:(1,2)

RInChI Example. RInChI=1.00.1S/C4H9.Li/c1-3-4-2;/h1,3-4H2,2H3;!C9H16Br2/c1-3-5-6-8(4-2)7-9(10)11/h7-8H,3-6H2,1-2H3!H2O/h1H2<>C9H16/c1-4-7-8-9(5-2)6-3/h2,9H,4,6-8H2,1,3H3<>C4H10O/c1-3-5-4-2/h3-4H2,1-2H3/d+.

RInChI Example. RInChI=1.00.1S/C4H11NOS/c1-4(2,3)7(5)6/h5H2,1-3H3!C5H6N2O/c1-7-3-5(4-8)2-6-7/h2-4H,1H3!H2O/h1H2<>C9H15N3OS/c1-9(2,3)14(13)11-6-8-5-10-12(4)7-8/h5-7H,1-4H3<>C4H8O/c1-2-4-5-3-1/h1-4H2/d+.

RInChI Example. RInChI=1.00.1S/<>C11H8F3N3O3/c12-11(13,14)19-7-3-1-6(2-4-7)9-5-8(17-20-9)10(18)16-15/h1-5H,15H2,(H,16,18)!C2H6N2.ClH/c1-2(3)4;/h1H3,(H3,3,4);1H!Na.H2O/h;1H2/q1;/p-1<>C4H8O/c1-2-4-5-3-1/h1-4H2/d-.

RInChI Example. RInChI=1.00.1S/<>C11H8F3N3O3/c12-11(13,14)20-7-3-1-6(2-4-7)8-5-16-10(19-8)9(18)17-15/h1-5H,15H2,(H,17,18)!C2H6N2.ClH/c1-2(3)4;/h1H3,(H3,3,4);1H!Na.H2O/h;1H2/q1;/p-1<>C4H8O/c1-2-4-5-3-1/h1-4H2/d-.

RInChI Example. RInChI=1.00.1S/C10H18N4O5S/c1-10(2,3)18-9(15)14-5-7(12-13-11)8(6-14)19-20(4,16)17/h7-8H,5-6H2,1-4H3<>C5H5N/c1-2-4-6-5-3-1/h1-5H!C9H16N4O3/c1-9(2,3)16-8(15)13-4-6(11-12-10)7(14)5-13/h6-7,14H,4-5H2,1-3H3!CH3ClO2S/c1-5(2,3)4/h1H3/d-.

RInChI Example. RInChI=1.00.1S/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)<>C12H20O4/c1-11(2)8(9(13)15-4)6-7-12(11,3)10(14)16-5/h8H,6-7H2,1-5H3!Na.H2O/h;1H2/q1;/p-1<>CH4O/c1-2/h2H,1H3/d-.

RInChI Example. RInChI=1.00.1S/<>3C4H9.N3.Sn/c31-3-4-2;1-3-2;/h31,3-4H2,2H3;;/q;;;-1;1!C11H10N4OS/c1-2-17-10-8(11(13)16)5-14-15-6-7(4-12)3-9(10)15/h3,5-6H,2H2,1H3,(H2,13,16)<>C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3/d-.

RInChI Example. RInChI=1.00.1S/C10H18O5/c1-9(2,3)14-7(11)13-8(12)15-10(4,5)6/h1-6H3<>C25H29N3O4/c1-25(2,3)32-24(30)28-17-16-26-22(28)11-7-10-19-12-14-21(15-13-19)27-23(29)31-18-20-8-5-4-6-9-20/h4-6,8-9,12-17H,7,10-11,18H2,1-3H3,(H,27,29)<>CH2Cl2/c2-1

RInChI Example. RInChI=1.00.1S/<>C2H4O2/c1-2(3)4/h1H3,(H,3,4)!C5H3N3/c6-3-5-4-7-1-2-8-5/h1-2,4H!C6H15NO2/c1-3-8-6(5-7)9-4-2/h6H,3-5,7H2,1-2H3!CH3O.Na/c1-2;/h1H3;/q-1;1!ClH/h1H<>CH4O/c1-2/h2H,1H3/d-.

RInChI Example. RInChI=1.00.1S/C9H11N3/c10-6-2-1-3-9-5-4-8(11)7-12-9/h4-5,7H,1-3,11H2<>C9H9N3O2/c10-6-2-1-3-8-4-5-9(7-11-8)12(13)14/h4-5,7H,1-3H2!ClH.H3N/h1H;1H3<>CH4O/c1-2/h2H,1H3!Fe!H2O/h1H2/d-.

RInChI Example. RInChI=1.00.1S/C7H2Cl2N2O2/c8-6-1-4(11(12)13)2-7(9)5(6)3-10/h1-2H!ClH.H3N/h1H;1H3!H2O/h1H2<>C7H4Cl2N2/c8-6-1-4(11)2-7(9)5(6)3-10/h1-2H,11H2<>CH4O/c1-2/h2H,1H3!Fe/d+.

RInChI Example. RInChI=1.00.1S/C11H10ClN3O3/c1-2-18-11(17)6-3-8-9(12)7(10(13)16)4-14-15(8)5-6/h3-5H,2H2,1H3,(H2,13,16)<>C11H8ClN3O2/c1-2-17-11(16)7-3-9-10(12)8(4-13)5-14-15(9)6-7/h3,5-6H,2H2,1H3!H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/d-.

RInChI Example. RInChI=1.00.1S/C12H17N3O/c13-7-11(4-5-11)10(16)15-6-9(14)12(8-15)2-1-3-12/h9H,1-6,8,14H2<>C17H25N3O3/c1-15(2,3)23-14(22)19-12-9-20(11-17(12)5-4-6-17)13(21)16(10-18)7-8-16/h12H,4-9,11H2,1-3H3,(H,19,22)!ClH/h1H/d-. RAuxInfo=1.00.1/0/N:1

RInChI Example. RInChI=1.00.1S/<>C20H23N3O2/c24-20(25-15-17-5-2-1-3-6-17)23-18-11-9-16(10-12-18)7-4-8-19-21-13-14-22-19/h1-3,5-6,9-12H,4,7-8,13-15H2,(H,21,22)(H,23,24)!CH4O/c1-2/h2H,1H3!K.Mn.4O/q1;;;;;-1<>C2H3N/c1-2-3/h1H3/d-. RAuxInfo=1.00.1/1/N:1,2

RInChI Example. RInChI=1.00.1S/C20H21N3O3/c1-3-24-17-9-8-13(12-18(17)25-4-2)20-22-19(23-26-20)15-6-5-7-16-14(15)10-11-21-16/h5-9,12,21H,3-4,10-11H2,1-2H3<>C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)!C4H8O/c1-2-4-5-3-1/h1-4H2/d-. RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7

RInChI Example. RInChI=1.00.1S/C8H8Cl2N2O3/c9-5-4(14)6(12-7(10)11-5)15-8(3-13)1-2-8/h13-14H,1-3H2<>C9H10Cl2N2O3/c1-15-5-6(10)12-8(11)13-7(5)16-9(4-14)2-3-9/h14H,2-4H2,1H3!ClH.Li/h1H;/q;1/p-1<>C3H7NO/c1-4(2)3-5/h3H,1-2H3/d-.

RInChI Example. RInChI=1.00.1S/C10H10N2O2/c11-8-2-1-3-9-4-6-10(7-5-9)12(13)14/h4-7H,1-3H2<>C10H12N2O3/c11-10(13)3-1-2-8-4-6-9(7-5-8)12(14)15/h4-7H,1-3H2,(H2,11,13)!C4F6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10<>CH2Cl2/c2-1-3/h1H2/d-.

RInChI Example. RInChI=1.00.1S/C19H17ClFNO4Si/c1-26-19(23)15-11-16(20)14(8-9-27(2,3)4)18(22(24)25)17(15)12-6-5-7-13(21)10-12/h5-7,10-11H,1-4H3!ClH.H3N/h1H;1H3!H2O/h1H2<>C19H19ClFNO2Si/c1-24-19(23)15-11-16(20)14(8-9-25(2,3)4)18(22)17(15)12-6-5-7-13(21

RInChI Example. RInChI=1.00.1S/C8H15NO2/c1-11-9-5-2-8(3-6-9)4-7-10/h7-8H,2-6H2,1H3!CN.K/c1-2;/q-1;1!ClH.H3N/h1H;1H3<>C9H17N3O/c1-13-12-4-2-8(3-5-12)6-9(11)7-10/h8-9H,2-6,11H2,1H3<>H2O/h1H2!H3N/h1H3/d+. RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11/E:(2